USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=25 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 102 TYR OH : rot -110:sc= 0.686 USER MOD Set 1.2: A 106 GLN :FLIP amide:sc= 0.617 F(o=0.26,f=1.3) USER MOD Set 2.1: A 55 SER OG : rot -2:sc= 1.1 USER MOD Set 2.2: A 99 CYS SG : rot 180:sc= 0.176 USER MOD Single : A 42 HIS :FLIP no HD1:sc= -1.23 F(o=-2.9!,f=-1.2) USER MOD Single : A 43 ASN : amide:sc=-0.00747 K(o=-0.0075,f=-1.8!) USER MOD Single : A 47 SER OG : rot -28:sc= 0.0743 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.304 K(o=-0.3,f=-2.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 78:sc= 0.621 USER MOD Single : A 75 SER OG : rot 88:sc= 0.865 USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= -0.387 (180deg=-0.446) USER MOD Single : A 88 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1.9!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 140:sc= -0.42 USER MOD Single : A 100 HIS : no HE2:sc= -0.19 K(o=-0.19,f=-4.1!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.436 K(o=-0.44,f=-2.1) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot -150:sc= -0.0896 USER MOD Single : A 116 LYS NZ :NH3+ 164:sc= -0.0057 (180deg=-0.193) USER MOD Single : A 119 GLN :FLIP amide:sc= -5.23! C(o=-9.2!,f=-5.2!) USER MOD Single : A 120 SER OG : rot 20:sc= -0.124 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0.00203 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 -72:sc= 0.8 USER MOD Single : A 137 GLN :FLIP amide:sc= -5.63! C(o=-11!,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 265 N ALA A 39 18.370 5.805 -1.433 1.00 0.00 N ATOM 266 CA ALA A 39 18.162 5.334 -0.031 1.00 0.00 C ATOM 267 C ALA A 39 17.260 6.327 0.709 1.00 0.00 C ATOM 268 O ALA A 39 17.695 7.379 1.132 1.00 0.00 O ATOM 269 CB ALA A 39 19.519 5.245 0.673 1.00 0.00 C ATOM 0 HA ALA A 39 17.688 4.352 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 39 19.376 4.902 1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 39 20.159 4.542 0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 39 19.989 6.228 0.682 1.00 0.00 H new ATOM 275 N ALA A 40 16.001 6.004 0.859 1.00 0.00 N ATOM 276 CA ALA A 40 15.062 6.931 1.561 1.00 0.00 C ATOM 277 C ALA A 40 13.974 6.121 2.282 1.00 0.00 C ATOM 278 O ALA A 40 14.013 4.904 2.326 1.00 0.00 O ATOM 279 CB ALA A 40 14.426 7.875 0.529 1.00 0.00 C ATOM 0 H ALA A 40 15.582 5.136 0.525 1.00 0.00 H new ATOM 0 HA ALA A 40 15.606 7.518 2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.739 8.555 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 40 15.207 8.450 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.880 7.290 -0.211 1.00 0.00 H new ATOM 285 N VAL A 41 13.013 6.794 2.857 1.00 0.00 N ATOM 286 CA VAL A 41 11.918 6.084 3.584 1.00 0.00 C ATOM 287 C VAL A 41 10.958 5.464 2.566 1.00 0.00 C ATOM 288 O VAL A 41 10.709 6.019 1.514 1.00 0.00 O ATOM 289 CB VAL A 41 11.158 7.085 4.463 1.00 0.00 C ATOM 290 CG1 VAL A 41 9.984 6.394 5.162 1.00 0.00 C ATOM 291 CG2 VAL A 41 12.102 7.658 5.524 1.00 0.00 C ATOM 0 H VAL A 41 12.938 7.811 2.855 1.00 0.00 H new ATOM 0 HA VAL A 41 12.341 5.300 4.212 1.00 0.00 H new ATOM 0 HB VAL A 41 10.779 7.887 3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.454 7.116 5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.303 5.989 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.359 5.584 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.560 8.369 6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.485 6.849 6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.934 8.165 5.035 1.00 0.00 H new ATOM 301 N HIS A 42 10.426 4.313 2.868 1.00 0.00 N ATOM 302 CA HIS A 42 9.489 3.640 1.919 1.00 0.00 C ATOM 303 C HIS A 42 8.513 2.753 2.699 1.00 0.00 C ATOM 304 O HIS A 42 8.838 2.218 3.740 1.00 0.00 O ATOM 305 CB HIS A 42 10.301 2.749 0.967 1.00 0.00 C ATOM 306 CG HIS A 42 10.847 3.554 -0.181 1.00 0.00 C ATOM 307 ND1 HIS A 42 11.866 4.470 -0.262 1.00 0.00 N flip ATOM 308 CD2 HIS A 42 10.341 3.438 -1.465 1.00 0.00 C flip ATOM 309 CE1 HIS A 42 11.992 4.915 -1.574 1.00 0.00 C flip ATOM 310 NE2 HIS A 42 11.050 4.260 -2.257 1.00 0.00 N flip ATOM 0 H HIS A 42 10.599 3.805 3.735 1.00 0.00 H new ATOM 0 HA HIS A 42 8.936 4.395 1.360 1.00 0.00 H new ATOM 0 HB2 HIS A 42 11.121 2.280 1.511 1.00 0.00 H new ATOM 0 HB3 HIS A 42 9.670 1.946 0.586 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.524 2.802 -1.774 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.699 5.635 -1.958 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.888 4.370 -3.258 1.00 0.00 H new ATOM 318 N ASN A 43 7.329 2.570 2.181 1.00 0.00 N ATOM 319 CA ASN A 43 6.338 1.693 2.863 1.00 0.00 C ATOM 320 C ASN A 43 6.556 0.256 2.386 1.00 0.00 C ATOM 321 O ASN A 43 6.051 -0.149 1.358 1.00 0.00 O ATOM 322 CB ASN A 43 4.928 2.145 2.489 1.00 0.00 C ATOM 323 CG ASN A 43 4.653 3.510 3.114 1.00 0.00 C ATOM 324 OD1 ASN A 43 5.430 3.993 3.912 1.00 0.00 O ATOM 325 ND2 ASN A 43 3.572 4.156 2.784 1.00 0.00 N ATOM 0 H ASN A 43 7.005 2.993 1.311 1.00 0.00 H new ATOM 0 HA ASN A 43 6.461 1.751 3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.827 2.202 1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.196 1.418 2.839 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.377 5.069 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.920 3.750 2.113 1.00 0.00 H new ATOM 332 N VAL A 44 7.314 -0.519 3.117 1.00 0.00 N ATOM 333 CA VAL A 44 7.573 -1.931 2.692 1.00 0.00 C ATOM 334 C VAL A 44 6.455 -2.839 3.259 1.00 0.00 C ATOM 335 O VAL A 44 6.224 -2.841 4.452 1.00 0.00 O ATOM 336 CB VAL A 44 8.958 -2.370 3.216 1.00 0.00 C ATOM 337 CG1 VAL A 44 8.898 -2.713 4.706 1.00 0.00 C ATOM 338 CG2 VAL A 44 9.441 -3.599 2.442 1.00 0.00 C ATOM 0 H VAL A 44 7.765 -0.238 3.988 1.00 0.00 H new ATOM 0 HA VAL A 44 7.571 -2.010 1.605 1.00 0.00 H new ATOM 0 HB VAL A 44 9.651 -1.541 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.886 -3.019 5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.574 -1.837 5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.191 -3.528 4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.418 -3.904 2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.731 -4.415 2.575 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.518 -3.355 1.383 1.00 0.00 H new ATOM 348 N PRO A 45 5.744 -3.595 2.433 1.00 0.00 N ATOM 349 CA PRO A 45 4.636 -4.477 2.924 1.00 0.00 C ATOM 350 C PRO A 45 5.014 -5.315 4.149 1.00 0.00 C ATOM 351 O PRO A 45 6.118 -5.804 4.271 1.00 0.00 O ATOM 352 CB PRO A 45 4.346 -5.396 1.731 1.00 0.00 C ATOM 353 CG PRO A 45 4.721 -4.595 0.530 1.00 0.00 C ATOM 354 CD PRO A 45 5.893 -3.701 0.958 1.00 0.00 C ATOM 0 HA PRO A 45 3.784 -3.881 3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.928 -6.316 1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.295 -5.685 1.701 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.009 -5.245 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.879 -3.994 0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.852 -4.141 0.684 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.844 -2.722 0.480 1.00 0.00 H new ATOM 362 N LEU A 46 4.087 -5.496 5.049 1.00 0.00 N ATOM 363 CA LEU A 46 4.372 -6.319 6.254 1.00 0.00 C ATOM 364 C LEU A 46 4.528 -7.783 5.837 1.00 0.00 C ATOM 365 O LEU A 46 5.232 -8.551 6.462 1.00 0.00 O ATOM 366 CB LEU A 46 3.190 -6.241 7.222 1.00 0.00 C ATOM 367 CG LEU A 46 2.949 -4.787 7.696 1.00 0.00 C ATOM 368 CD1 LEU A 46 1.456 -4.579 7.928 1.00 0.00 C ATOM 369 CD2 LEU A 46 3.690 -4.506 9.008 1.00 0.00 C ATOM 0 H LEU A 46 3.145 -5.109 5.000 1.00 0.00 H new ATOM 0 HA LEU A 46 5.281 -5.948 6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.292 -6.621 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.380 -6.881 8.084 1.00 0.00 H new ATOM 0 HG LEU A 46 3.321 -4.109 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.279 -3.557 8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.915 -4.756 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.106 -5.276 8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.503 -3.478 9.318 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.334 -5.188 9.780 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.760 -4.652 8.860 1.00 0.00 H new ATOM 381 N SER A 47 3.828 -8.179 4.809 1.00 0.00 N ATOM 382 CA SER A 47 3.873 -9.605 4.365 1.00 0.00 C ATOM 383 C SER A 47 5.233 -9.993 3.761 1.00 0.00 C ATOM 384 O SER A 47 5.504 -11.165 3.589 1.00 0.00 O ATOM 385 CB SER A 47 2.771 -9.846 3.328 1.00 0.00 C ATOM 386 OG SER A 47 2.516 -11.240 3.226 1.00 0.00 O ATOM 0 H SER A 47 3.223 -7.574 4.253 1.00 0.00 H new ATOM 0 HA SER A 47 3.719 -10.227 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.862 -9.319 3.618 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.075 -9.449 2.359 1.00 0.00 H new ATOM 0 HG SER A 47 3.327 -11.739 3.458 1.00 0.00 H new ATOM 392 N VAL A 48 6.090 -9.049 3.425 1.00 0.00 N ATOM 393 CA VAL A 48 7.418 -9.418 2.821 1.00 0.00 C ATOM 394 C VAL A 48 8.564 -9.078 3.785 1.00 0.00 C ATOM 395 O VAL A 48 9.691 -8.888 3.373 1.00 0.00 O ATOM 396 CB VAL A 48 7.609 -8.668 1.495 1.00 0.00 C ATOM 397 CG1 VAL A 48 6.356 -8.821 0.628 1.00 0.00 C ATOM 398 CG2 VAL A 48 7.875 -7.182 1.747 1.00 0.00 C ATOM 0 H VAL A 48 5.929 -8.049 3.542 1.00 0.00 H new ATOM 0 HA VAL A 48 7.431 -10.492 2.635 1.00 0.00 H new ATOM 0 HB VAL A 48 8.468 -9.096 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.496 -8.287 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.182 -9.877 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.496 -8.408 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.007 -6.669 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.029 -6.746 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.778 -7.071 2.347 1.00 0.00 H new ATOM 408 N LEU A 49 8.299 -9.027 5.066 1.00 0.00 N ATOM 409 CA LEU A 49 9.386 -8.729 6.043 1.00 0.00 C ATOM 410 C LEU A 49 10.039 -10.046 6.460 1.00 0.00 C ATOM 411 O LEU A 49 9.372 -11.040 6.669 1.00 0.00 O ATOM 412 CB LEU A 49 8.804 -8.052 7.291 1.00 0.00 C ATOM 413 CG LEU A 49 8.399 -6.600 6.992 1.00 0.00 C ATOM 414 CD1 LEU A 49 7.717 -6.020 8.236 1.00 0.00 C ATOM 415 CD2 LEU A 49 9.638 -5.751 6.638 1.00 0.00 C ATOM 0 H LEU A 49 7.377 -9.179 5.476 1.00 0.00 H new ATOM 0 HA LEU A 49 10.116 -8.064 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.936 -8.611 7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.540 -8.070 8.095 1.00 0.00 H new ATOM 0 HG LEU A 49 7.718 -6.582 6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.422 -4.989 8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.833 -6.611 8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.410 -6.047 9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 49 9.330 -4.726 6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.335 -5.757 7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.126 -6.169 5.758 1.00 0.00 H new ATOM 427 N ILE A 50 11.340 -10.058 6.578 1.00 0.00 N ATOM 428 CA ILE A 50 12.064 -11.307 6.977 1.00 0.00 C ATOM 429 C ILE A 50 12.613 -11.160 8.396 1.00 0.00 C ATOM 430 O ILE A 50 13.478 -10.345 8.659 1.00 0.00 O ATOM 431 CB ILE A 50 13.221 -11.543 6.010 1.00 0.00 C ATOM 432 CG1 ILE A 50 12.669 -11.632 4.588 1.00 0.00 C ATOM 433 CG2 ILE A 50 13.929 -12.851 6.367 1.00 0.00 C ATOM 434 CD1 ILE A 50 13.824 -11.671 3.587 1.00 0.00 C ATOM 0 H ILE A 50 11.940 -9.250 6.414 1.00 0.00 H new ATOM 0 HA ILE A 50 11.374 -12.151 6.946 1.00 0.00 H new ATOM 0 HB ILE A 50 13.933 -10.720 6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 50 12.053 -12.525 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.026 -10.776 4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 50 14.755 -13.018 5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.314 -12.790 7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.223 -13.678 6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.426 -11.734 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.422 -10.765 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.449 -12.541 3.786 1.00 0.00 H new ATOM 446 N ARG A 51 12.114 -11.952 9.311 1.00 0.00 N ATOM 447 CA ARG A 51 12.592 -11.889 10.728 1.00 0.00 C ATOM 448 C ARG A 51 12.871 -13.311 11.240 1.00 0.00 C ATOM 449 O ARG A 51 11.975 -13.985 11.707 1.00 0.00 O ATOM 450 CB ARG A 51 11.488 -11.270 11.588 1.00 0.00 C ATOM 451 CG ARG A 51 11.418 -9.769 11.320 1.00 0.00 C ATOM 452 CD ARG A 51 10.381 -9.131 12.247 1.00 0.00 C ATOM 453 NE ARG A 51 10.216 -7.693 11.894 1.00 0.00 N ATOM 454 CZ ARG A 51 11.083 -6.813 12.315 1.00 0.00 C ATOM 455 NH1 ARG A 51 12.096 -7.193 13.046 1.00 0.00 N ATOM 456 NH2 ARG A 51 10.938 -5.554 12.005 1.00 0.00 N ATOM 0 H ARG A 51 11.388 -12.647 9.136 1.00 0.00 H new ATOM 0 HA ARG A 51 13.503 -11.293 10.783 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.530 -11.736 11.360 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.688 -11.453 12.644 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.395 -9.314 11.483 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.151 -9.587 10.279 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.427 -9.651 12.155 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.698 -9.227 13.285 1.00 0.00 H new ATOM 0 HE ARG A 51 9.425 -7.396 11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.210 -8.177 13.288 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.774 -6.505 13.375 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.147 -5.257 11.434 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.616 -4.866 12.334 1.00 0.00 H new ATOM 470 N PRO A 52 14.102 -13.764 11.178 1.00 0.00 N ATOM 471 CA PRO A 52 14.490 -15.112 11.665 1.00 0.00 C ATOM 472 C PRO A 52 15.052 -15.072 13.092 1.00 0.00 C ATOM 473 O PRO A 52 15.859 -15.899 13.468 1.00 0.00 O ATOM 474 CB PRO A 52 15.587 -15.488 10.679 1.00 0.00 C ATOM 475 CG PRO A 52 16.313 -14.195 10.432 1.00 0.00 C ATOM 476 CD PRO A 52 15.274 -13.066 10.616 1.00 0.00 C ATOM 0 HA PRO A 52 13.653 -15.808 11.711 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.252 -16.247 11.092 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.172 -15.895 9.757 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.142 -14.076 11.129 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.736 -14.173 9.428 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.639 -12.290 11.289 1.00 0.00 H new ATOM 0 HD3 PRO A 52 15.036 -12.581 9.669 1.00 0.00 H new ATOM 484 N LEU A 53 14.656 -14.098 13.877 1.00 0.00 N ATOM 485 CA LEU A 53 15.194 -13.981 15.274 1.00 0.00 C ATOM 486 C LEU A 53 14.040 -13.694 16.260 1.00 0.00 C ATOM 487 O LEU A 53 13.572 -12.576 16.341 1.00 0.00 O ATOM 488 CB LEU A 53 16.195 -12.807 15.284 1.00 0.00 C ATOM 489 CG LEU A 53 17.250 -12.969 16.397 1.00 0.00 C ATOM 490 CD1 LEU A 53 18.456 -12.080 16.079 1.00 0.00 C ATOM 491 CD2 LEU A 53 16.659 -12.547 17.746 1.00 0.00 C ATOM 0 H LEU A 53 13.984 -13.378 13.612 1.00 0.00 H new ATOM 0 HA LEU A 53 15.681 -14.907 15.579 1.00 0.00 H new ATOM 0 HB2 LEU A 53 16.693 -12.745 14.316 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.656 -11.870 15.426 1.00 0.00 H new ATOM 0 HG LEU A 53 17.557 -14.014 16.450 1.00 0.00 H new ATOM 0 HD11 LEU A 53 19.206 -12.190 16.862 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.885 -12.377 15.122 1.00 0.00 H new ATOM 0 HD13 LEU A 53 18.137 -11.039 16.026 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.411 -12.665 18.526 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.348 -11.503 17.697 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.796 -13.172 17.977 1.00 0.00 H new ATOM 503 N PRO A 54 13.582 -14.678 17.015 1.00 0.00 N ATOM 504 CA PRO A 54 12.475 -14.469 17.998 1.00 0.00 C ATOM 505 C PRO A 54 12.700 -13.220 18.863 1.00 0.00 C ATOM 506 O PRO A 54 13.763 -12.633 18.854 1.00 0.00 O ATOM 507 CB PRO A 54 12.509 -15.739 18.857 1.00 0.00 C ATOM 508 CG PRO A 54 13.054 -16.794 17.950 1.00 0.00 C ATOM 509 CD PRO A 54 14.050 -16.085 17.026 1.00 0.00 C ATOM 0 HA PRO A 54 11.516 -14.306 17.507 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.141 -15.607 19.735 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.514 -16.001 19.217 1.00 0.00 H new ATOM 0 HG2 PRO A 54 13.545 -17.583 18.520 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.256 -17.265 17.376 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.070 -16.164 17.401 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.044 -16.516 16.025 1.00 0.00 H new ATOM 517 N SER A 55 11.709 -12.810 19.610 1.00 0.00 N ATOM 518 CA SER A 55 11.878 -11.602 20.469 1.00 0.00 C ATOM 519 C SER A 55 10.853 -11.620 21.604 1.00 0.00 C ATOM 520 O SER A 55 9.861 -12.321 21.549 1.00 0.00 O ATOM 521 CB SER A 55 11.665 -10.344 19.626 1.00 0.00 C ATOM 522 OG SER A 55 12.775 -10.159 18.760 1.00 0.00 O ATOM 0 H SER A 55 10.794 -13.257 19.662 1.00 0.00 H new ATOM 0 HA SER A 55 12.884 -11.603 20.889 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.748 -10.435 19.044 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.547 -9.475 20.274 1.00 0.00 H new ATOM 0 HG SER A 55 13.442 -10.857 18.930 1.00 0.00 H new ATOM 528 N VAL A 56 11.087 -10.836 22.627 1.00 0.00 N ATOM 529 CA VAL A 56 10.135 -10.769 23.784 1.00 0.00 C ATOM 530 C VAL A 56 9.367 -9.444 23.710 1.00 0.00 C ATOM 531 O VAL A 56 9.952 -8.379 23.710 1.00 0.00 O ATOM 532 CB VAL A 56 10.919 -10.872 25.113 1.00 0.00 C ATOM 533 CG1 VAL A 56 11.519 -9.514 25.513 1.00 0.00 C ATOM 534 CG2 VAL A 56 9.980 -11.346 26.227 1.00 0.00 C ATOM 0 H VAL A 56 11.905 -10.233 22.713 1.00 0.00 H new ATOM 0 HA VAL A 56 9.429 -11.598 23.740 1.00 0.00 H new ATOM 0 HB VAL A 56 11.731 -11.585 24.971 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.064 -9.619 26.451 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.201 -9.174 24.734 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.718 -8.785 25.638 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.534 -11.418 27.163 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.163 -10.633 26.342 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.574 -12.324 25.969 1.00 0.00 H new ATOM 544 N LEU A 57 8.061 -9.502 23.627 1.00 0.00 N ATOM 545 CA LEU A 57 7.246 -8.250 23.530 1.00 0.00 C ATOM 546 C LEU A 57 6.543 -7.958 24.849 1.00 0.00 C ATOM 547 O LEU A 57 6.133 -8.845 25.571 1.00 0.00 O ATOM 548 CB LEU A 57 6.182 -8.407 22.451 1.00 0.00 C ATOM 549 CG LEU A 57 6.839 -8.783 21.119 1.00 0.00 C ATOM 550 CD1 LEU A 57 5.744 -9.037 20.078 1.00 0.00 C ATOM 551 CD2 LEU A 57 7.754 -7.641 20.648 1.00 0.00 C ATOM 0 H LEU A 57 7.521 -10.367 23.622 1.00 0.00 H new ATOM 0 HA LEU A 57 7.921 -7.430 23.286 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.467 -9.176 22.743 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.624 -7.477 22.341 1.00 0.00 H new ATOM 0 HG LEU A 57 7.439 -9.684 21.247 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.202 -9.305 19.126 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.104 -9.852 20.415 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.146 -8.134 19.951 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.218 -7.914 19.700 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.165 -6.734 20.515 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.529 -7.464 21.394 1.00 0.00 H new ATOM 563 N ASP A 58 6.390 -6.699 25.143 1.00 0.00 N ATOM 564 CA ASP A 58 5.699 -6.267 26.390 1.00 0.00 C ATOM 565 C ASP A 58 4.317 -5.702 25.996 1.00 0.00 C ATOM 566 O ASP A 58 4.204 -5.003 25.009 1.00 0.00 O ATOM 567 CB ASP A 58 6.553 -5.183 27.055 1.00 0.00 C ATOM 568 CG ASP A 58 5.741 -4.459 28.134 1.00 0.00 C ATOM 569 OD1 ASP A 58 5.057 -3.508 27.794 1.00 0.00 O ATOM 570 OD2 ASP A 58 5.818 -4.870 29.280 1.00 0.00 O ATOM 0 H ASP A 58 6.723 -5.933 24.558 1.00 0.00 H new ATOM 0 HA ASP A 58 5.565 -7.095 27.086 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.442 -5.631 27.498 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.895 -4.469 26.306 1.00 0.00 H new ATOM 575 N PRO A 59 3.265 -6.007 26.731 1.00 0.00 N ATOM 576 CA PRO A 59 1.890 -5.517 26.394 1.00 0.00 C ATOM 577 C PRO A 59 1.669 -4.042 26.761 1.00 0.00 C ATOM 578 O PRO A 59 0.721 -3.423 26.319 1.00 0.00 O ATOM 579 CB PRO A 59 0.984 -6.428 27.231 1.00 0.00 C ATOM 580 CG PRO A 59 1.800 -6.746 28.442 1.00 0.00 C ATOM 581 CD PRO A 59 3.251 -6.842 27.953 1.00 0.00 C ATOM 0 HA PRO A 59 1.696 -5.559 25.322 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.054 -5.927 27.498 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.714 -7.332 26.684 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.693 -5.971 29.200 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.477 -7.683 28.896 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.951 -6.469 28.701 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.534 -7.872 27.737 1.00 0.00 H new ATOM 589 N ALA A 60 2.521 -3.479 27.571 1.00 0.00 N ATOM 590 CA ALA A 60 2.344 -2.053 27.970 1.00 0.00 C ATOM 591 C ALA A 60 2.982 -1.130 26.926 1.00 0.00 C ATOM 592 O ALA A 60 2.440 -0.097 26.585 1.00 0.00 O ATOM 593 CB ALA A 60 3.011 -1.833 29.329 1.00 0.00 C ATOM 0 H ALA A 60 3.334 -3.944 27.975 1.00 0.00 H new ATOM 0 HA ALA A 60 1.281 -1.823 28.036 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.888 -0.793 29.631 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.548 -2.483 30.071 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.073 -2.066 29.255 1.00 0.00 H new ATOM 599 N LYS A 61 4.134 -1.484 26.425 1.00 0.00 N ATOM 600 CA LYS A 61 4.807 -0.618 25.420 1.00 0.00 C ATOM 601 C LYS A 61 4.103 -0.752 24.058 1.00 0.00 C ATOM 602 O LYS A 61 4.055 0.183 23.285 1.00 0.00 O ATOM 603 CB LYS A 61 6.295 -1.036 25.314 1.00 0.00 C ATOM 604 CG LYS A 61 7.205 0.195 25.380 1.00 0.00 C ATOM 605 CD LYS A 61 8.657 -0.218 25.110 1.00 0.00 C ATOM 606 CE LYS A 61 9.149 -1.166 26.211 1.00 0.00 C ATOM 607 NZ LYS A 61 10.638 -1.136 26.259 1.00 0.00 N ATOM 0 H LYS A 61 4.637 -2.337 26.670 1.00 0.00 H new ATOM 0 HA LYS A 61 4.751 0.426 25.729 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.544 -1.723 26.123 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.463 -1.570 24.379 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.885 0.935 24.646 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.127 0.664 26.361 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.729 -0.707 24.139 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.293 0.666 25.070 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.737 -0.867 27.175 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.801 -2.180 26.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.974 -1.778 27.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.021 -1.440 25.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.959 -0.168 26.464 1.00 0.00 H new ATOM 621 N VAL A 62 3.560 -1.902 23.758 1.00 0.00 N ATOM 622 CA VAL A 62 2.870 -2.074 22.447 1.00 0.00 C ATOM 623 C VAL A 62 1.586 -1.240 22.434 1.00 0.00 C ATOM 624 O VAL A 62 1.208 -0.686 21.422 1.00 0.00 O ATOM 625 CB VAL A 62 2.524 -3.552 22.234 1.00 0.00 C ATOM 626 CG1 VAL A 62 1.671 -3.700 20.971 1.00 0.00 C ATOM 627 CG2 VAL A 62 3.814 -4.363 22.074 1.00 0.00 C ATOM 0 H VAL A 62 3.564 -2.725 24.360 1.00 0.00 H new ATOM 0 HA VAL A 62 3.529 -1.741 21.645 1.00 0.00 H new ATOM 0 HB VAL A 62 1.967 -3.921 23.096 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.425 -4.751 20.819 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.752 -3.125 21.083 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.228 -3.330 20.110 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.567 -5.414 21.923 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.372 -3.994 21.213 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.423 -4.259 22.972 1.00 0.00 H new ATOM 637 N GLN A 63 0.915 -1.142 23.548 1.00 0.00 N ATOM 638 CA GLN A 63 -0.341 -0.337 23.588 1.00 0.00 C ATOM 639 C GLN A 63 0.010 1.139 23.376 1.00 0.00 C ATOM 640 O GLN A 63 -0.624 1.833 22.606 1.00 0.00 O ATOM 641 CB GLN A 63 -1.030 -0.526 24.953 1.00 0.00 C ATOM 642 CG GLN A 63 -1.946 -1.758 24.916 1.00 0.00 C ATOM 643 CD GLN A 63 -3.236 -1.415 24.167 1.00 0.00 C ATOM 644 OE1 GLN A 63 -3.315 -0.402 23.501 1.00 0.00 O ATOM 645 NE2 GLN A 63 -4.258 -2.223 24.248 1.00 0.00 N ATOM 0 H GLN A 63 1.179 -1.582 24.430 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.021 -0.666 22.802 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.280 -0.645 25.735 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.612 0.362 25.202 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.437 -2.587 24.424 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.178 -2.082 25.931 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.193 -3.074 24.807 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.122 -2.004 23.752 1.00 0.00 H new ATOM 654 N SER A 64 1.017 1.624 24.051 1.00 0.00 N ATOM 655 CA SER A 64 1.405 3.052 23.881 1.00 0.00 C ATOM 656 C SER A 64 1.720 3.319 22.408 1.00 0.00 C ATOM 657 O SER A 64 1.401 4.362 21.873 1.00 0.00 O ATOM 658 CB SER A 64 2.643 3.349 24.730 1.00 0.00 C ATOM 659 OG SER A 64 3.056 4.690 24.512 1.00 0.00 O ATOM 0 H SER A 64 1.586 1.094 24.711 1.00 0.00 H new ATOM 0 HA SER A 64 0.584 3.694 24.201 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.419 3.193 25.785 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.449 2.662 24.470 1.00 0.00 H new ATOM 0 HG SER A 64 3.848 4.881 25.057 1.00 0.00 H new ATOM 665 N LEU A 65 2.344 2.381 21.748 1.00 0.00 N ATOM 666 CA LEU A 65 2.681 2.568 20.315 1.00 0.00 C ATOM 667 C LEU A 65 1.408 2.420 19.477 1.00 0.00 C ATOM 668 O LEU A 65 1.087 3.261 18.662 1.00 0.00 O ATOM 669 CB LEU A 65 3.704 1.499 19.921 1.00 0.00 C ATOM 670 CG LEU A 65 5.122 1.942 20.347 1.00 0.00 C ATOM 671 CD1 LEU A 65 6.002 0.711 20.569 1.00 0.00 C ATOM 672 CD2 LEU A 65 5.749 2.820 19.257 1.00 0.00 C ATOM 0 H LEU A 65 2.635 1.488 22.146 1.00 0.00 H new ATOM 0 HA LEU A 65 3.101 3.559 20.142 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.452 0.551 20.396 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.674 1.334 18.844 1.00 0.00 H new ATOM 0 HG LEU A 65 5.049 2.513 21.273 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.001 1.027 20.869 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.567 0.090 21.352 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.066 0.138 19.644 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.748 3.127 19.567 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.815 2.254 18.328 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.130 3.704 19.101 1.00 0.00 H new ATOM 684 N VAL A 66 0.675 1.363 19.685 1.00 0.00 N ATOM 685 CA VAL A 66 -0.582 1.163 18.919 1.00 0.00 C ATOM 686 C VAL A 66 -1.460 2.404 19.112 1.00 0.00 C ATOM 687 O VAL A 66 -2.203 2.800 18.236 1.00 0.00 O ATOM 688 CB VAL A 66 -1.284 -0.091 19.466 1.00 0.00 C ATOM 689 CG1 VAL A 66 -2.754 -0.117 19.045 1.00 0.00 C ATOM 690 CG2 VAL A 66 -0.581 -1.341 18.927 1.00 0.00 C ATOM 0 H VAL A 66 0.895 0.627 20.356 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.387 1.025 17.856 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.233 -0.072 20.555 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.231 -1.013 19.443 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.260 0.767 19.434 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.821 -0.123 17.957 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.076 -2.232 19.313 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.627 -1.343 17.838 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.461 -1.338 19.246 1.00 0.00 H new ATOM 700 N ASP A 67 -1.362 3.023 20.255 1.00 0.00 N ATOM 701 CA ASP A 67 -2.171 4.249 20.525 1.00 0.00 C ATOM 702 C ASP A 67 -1.542 5.446 19.807 1.00 0.00 C ATOM 703 O ASP A 67 -2.228 6.316 19.311 1.00 0.00 O ATOM 704 CB ASP A 67 -2.192 4.519 22.035 1.00 0.00 C ATOM 705 CG ASP A 67 -3.386 5.412 22.387 1.00 0.00 C ATOM 706 OD1 ASP A 67 -4.490 5.074 21.992 1.00 0.00 O ATOM 707 OD2 ASP A 67 -3.175 6.417 23.044 1.00 0.00 O ATOM 0 H ASP A 67 -0.753 2.732 21.020 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.188 4.101 20.163 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.257 3.578 22.581 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.263 5.001 22.340 1.00 0.00 H new ATOM 712 N THR A 68 -0.239 5.499 19.762 1.00 0.00 N ATOM 713 CA THR A 68 0.441 6.642 19.092 1.00 0.00 C ATOM 714 C THR A 68 0.093 6.638 17.605 1.00 0.00 C ATOM 715 O THR A 68 -0.331 7.633 17.050 1.00 0.00 O ATOM 716 CB THR A 68 1.955 6.502 19.261 1.00 0.00 C ATOM 717 OG1 THR A 68 2.251 6.181 20.613 1.00 0.00 O ATOM 718 CG2 THR A 68 2.632 7.820 18.888 1.00 0.00 C ATOM 0 H THR A 68 0.385 4.798 20.162 1.00 0.00 H new ATOM 0 HA THR A 68 0.109 7.578 19.541 1.00 0.00 H new ATOM 0 HB THR A 68 2.323 5.709 18.611 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.077 5.229 20.769 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.711 7.722 19.008 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.403 8.066 17.851 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.266 8.614 19.539 1.00 0.00 H new ATOM 726 N ILE A 69 0.267 5.522 16.957 1.00 0.00 N ATOM 727 CA ILE A 69 -0.052 5.441 15.507 1.00 0.00 C ATOM 728 C ILE A 69 -1.521 5.826 15.292 1.00 0.00 C ATOM 729 O ILE A 69 -1.861 6.518 14.352 1.00 0.00 O ATOM 730 CB ILE A 69 0.192 4.005 15.022 1.00 0.00 C ATOM 731 CG1 ILE A 69 1.641 3.603 15.349 1.00 0.00 C ATOM 732 CG2 ILE A 69 -0.038 3.920 13.504 1.00 0.00 C ATOM 733 CD1 ILE A 69 1.993 2.277 14.666 1.00 0.00 C ATOM 0 H ILE A 69 0.618 4.659 17.372 1.00 0.00 H new ATOM 0 HA ILE A 69 0.582 6.125 14.943 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.500 3.328 15.524 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.326 4.384 15.017 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.764 3.508 16.428 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.137 2.899 13.166 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.064 4.207 13.275 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.650 4.594 12.993 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.021 2.006 14.906 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.319 1.496 15.019 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.889 2.385 13.586 1.00 0.00 H new ATOM 745 N ARG A 70 -2.394 5.372 16.149 1.00 0.00 N ATOM 746 CA ARG A 70 -3.845 5.697 15.991 1.00 0.00 C ATOM 747 C ARG A 70 -4.128 7.137 16.457 1.00 0.00 C ATOM 748 O ARG A 70 -5.029 7.786 15.962 1.00 0.00 O ATOM 749 CB ARG A 70 -4.677 4.694 16.828 1.00 0.00 C ATOM 750 CG ARG A 70 -5.169 3.544 15.942 1.00 0.00 C ATOM 751 CD ARG A 70 -6.002 2.573 16.782 1.00 0.00 C ATOM 752 NE ARG A 70 -6.407 1.411 15.942 1.00 0.00 N ATOM 753 CZ ARG A 70 -7.301 1.564 15.004 1.00 0.00 C ATOM 754 NH1 ARG A 70 -7.841 2.735 14.802 1.00 0.00 N ATOM 755 NH2 ARG A 70 -7.656 0.546 14.268 1.00 0.00 N ATOM 0 H ARG A 70 -2.167 4.789 16.954 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.121 5.619 14.940 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.071 4.300 17.644 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.528 5.204 17.280 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.767 3.935 15.119 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.320 3.023 15.499 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.425 2.231 17.641 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.885 3.079 17.173 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.985 0.496 16.100 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.564 3.530 15.377 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.540 2.855 14.069 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.235 -0.369 14.426 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.355 0.666 13.535 1.00 0.00 H new ATOM 769 N GLU A 71 -3.387 7.640 17.409 1.00 0.00 N ATOM 770 CA GLU A 71 -3.639 9.028 17.903 1.00 0.00 C ATOM 771 C GLU A 71 -2.809 10.031 17.102 1.00 0.00 C ATOM 772 O GLU A 71 -3.226 11.148 16.865 1.00 0.00 O ATOM 773 CB GLU A 71 -3.244 9.115 19.378 1.00 0.00 C ATOM 774 CG GLU A 71 -3.735 10.442 19.958 1.00 0.00 C ATOM 775 CD GLU A 71 -3.402 10.502 21.450 1.00 0.00 C ATOM 776 OE1 GLU A 71 -2.226 10.504 21.774 1.00 0.00 O ATOM 777 OE2 GLU A 71 -4.328 10.545 22.242 1.00 0.00 O ATOM 0 H GLU A 71 -2.618 7.151 17.867 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.697 9.263 17.783 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.676 8.281 19.931 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.162 9.039 19.481 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.265 11.275 19.436 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.811 10.540 19.811 1.00 0.00 H new ATOM 784 N ASP A 72 -1.632 9.649 16.692 1.00 0.00 N ATOM 785 CA ASP A 72 -0.770 10.588 15.918 1.00 0.00 C ATOM 786 C ASP A 72 0.276 9.782 15.123 1.00 0.00 C ATOM 787 O ASP A 72 1.287 9.390 15.670 1.00 0.00 O ATOM 788 CB ASP A 72 -0.050 11.519 16.902 1.00 0.00 C ATOM 789 CG ASP A 72 0.470 12.753 16.160 1.00 0.00 C ATOM 790 OD1 ASP A 72 -0.334 13.431 15.543 1.00 0.00 O ATOM 791 OD2 ASP A 72 1.663 12.998 16.224 1.00 0.00 O ATOM 0 H ASP A 72 -1.229 8.727 16.859 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.380 11.172 15.228 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.732 11.821 17.697 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.778 10.992 17.376 1.00 0.00 H new ATOM 796 N PRO A 73 0.049 9.514 13.852 1.00 0.00 N ATOM 797 CA PRO A 73 1.016 8.724 13.033 1.00 0.00 C ATOM 798 C PRO A 73 2.252 9.537 12.611 1.00 0.00 C ATOM 799 O PRO A 73 3.137 9.030 11.952 1.00 0.00 O ATOM 800 CB PRO A 73 0.187 8.297 11.814 1.00 0.00 C ATOM 801 CG PRO A 73 -0.836 9.376 11.647 1.00 0.00 C ATOM 802 CD PRO A 73 -1.133 9.918 13.053 1.00 0.00 C ATOM 0 HA PRO A 73 1.430 7.885 13.593 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.811 8.203 10.925 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.284 7.328 11.977 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.462 10.167 10.997 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.741 8.984 11.183 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.258 11.001 13.045 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.052 9.494 13.458 1.00 0.00 H new ATOM 810 N ASP A 74 2.323 10.789 12.983 1.00 0.00 N ATOM 811 CA ASP A 74 3.508 11.618 12.596 1.00 0.00 C ATOM 812 C ASP A 74 4.612 11.487 13.655 1.00 0.00 C ATOM 813 O ASP A 74 5.779 11.378 13.333 1.00 0.00 O ATOM 814 CB ASP A 74 3.087 13.085 12.478 1.00 0.00 C ATOM 815 CG ASP A 74 2.551 13.577 13.823 1.00 0.00 C ATOM 816 OD1 ASP A 74 3.348 13.740 14.732 1.00 0.00 O ATOM 817 OD2 ASP A 74 1.353 13.786 13.919 1.00 0.00 O ATOM 0 H ASP A 74 1.616 11.273 13.536 1.00 0.00 H new ATOM 0 HA ASP A 74 3.890 11.267 11.638 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.937 13.694 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.322 13.193 11.709 1.00 0.00 H new ATOM 822 N SER A 75 4.259 11.504 14.913 1.00 0.00 N ATOM 823 CA SER A 75 5.290 11.388 15.985 1.00 0.00 C ATOM 824 C SER A 75 5.840 9.955 16.029 1.00 0.00 C ATOM 825 O SER A 75 6.329 9.509 17.048 1.00 0.00 O ATOM 826 CB SER A 75 4.652 11.721 17.335 1.00 0.00 C ATOM 827 OG SER A 75 3.871 12.901 17.211 1.00 0.00 O ATOM 0 H SER A 75 3.299 11.593 15.245 1.00 0.00 H new ATOM 0 HA SER A 75 6.105 12.081 15.776 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.028 10.892 17.669 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.425 11.862 18.090 1.00 0.00 H new ATOM 0 HG SER A 75 2.963 12.664 16.928 1.00 0.00 H new ATOM 833 N VAL A 76 5.761 9.230 14.933 1.00 0.00 N ATOM 834 CA VAL A 76 6.274 7.820 14.901 1.00 0.00 C ATOM 835 C VAL A 76 7.293 7.692 13.747 1.00 0.00 C ATOM 836 O VAL A 76 6.907 7.634 12.596 1.00 0.00 O ATOM 837 CB VAL A 76 5.083 6.874 14.652 1.00 0.00 C ATOM 838 CG1 VAL A 76 5.405 5.461 15.162 1.00 0.00 C ATOM 839 CG2 VAL A 76 3.852 7.410 15.389 1.00 0.00 C ATOM 0 H VAL A 76 5.360 9.558 14.054 1.00 0.00 H new ATOM 0 HA VAL A 76 6.757 7.562 15.843 1.00 0.00 H new ATOM 0 HB VAL A 76 4.887 6.826 13.581 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.554 4.805 14.979 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.280 5.076 14.638 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.610 5.498 16.232 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.006 6.745 15.216 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.061 7.461 16.457 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.611 8.406 15.018 1.00 0.00 H new ATOM 849 N PRO A 77 8.583 7.669 14.029 1.00 0.00 N ATOM 850 CA PRO A 77 9.622 7.572 12.960 1.00 0.00 C ATOM 851 C PRO A 77 9.763 6.151 12.384 1.00 0.00 C ATOM 852 O PRO A 77 9.317 5.190 12.976 1.00 0.00 O ATOM 853 CB PRO A 77 10.916 8.017 13.663 1.00 0.00 C ATOM 854 CG PRO A 77 10.705 7.739 15.124 1.00 0.00 C ATOM 855 CD PRO A 77 9.187 7.731 15.375 1.00 0.00 C ATOM 0 HA PRO A 77 9.366 8.187 12.097 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.777 7.468 13.281 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.110 9.076 13.491 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.145 6.781 15.400 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.191 8.500 15.734 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.891 6.875 15.981 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.870 8.626 15.910 1.00 0.00 H new ATOM 863 N PRO A 78 10.385 6.028 11.231 1.00 0.00 N ATOM 864 CA PRO A 78 10.598 4.708 10.560 1.00 0.00 C ATOM 865 C PRO A 78 11.709 3.892 11.231 1.00 0.00 C ATOM 866 O PRO A 78 12.395 4.367 12.114 1.00 0.00 O ATOM 867 CB PRO A 78 10.994 5.095 9.129 1.00 0.00 C ATOM 868 CG PRO A 78 11.651 6.432 9.265 1.00 0.00 C ATOM 869 CD PRO A 78 10.952 7.138 10.433 1.00 0.00 C ATOM 0 HA PRO A 78 9.713 4.074 10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.674 4.362 8.694 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.122 5.147 8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.718 6.323 9.459 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.552 7.009 8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.653 7.733 11.018 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.174 7.816 10.082 1.00 0.00 H new ATOM 877 N ILE A 79 11.885 2.667 10.806 1.00 0.00 N ATOM 878 CA ILE A 79 12.949 1.790 11.397 1.00 0.00 C ATOM 879 C ILE A 79 14.023 1.517 10.339 1.00 0.00 C ATOM 880 O ILE A 79 13.833 1.774 9.168 1.00 0.00 O ATOM 881 CB ILE A 79 12.322 0.457 11.837 1.00 0.00 C ATOM 882 CG1 ILE A 79 11.322 -0.019 10.767 1.00 0.00 C ATOM 883 CG2 ILE A 79 11.596 0.642 13.177 1.00 0.00 C ATOM 884 CD1 ILE A 79 11.112 -1.528 10.895 1.00 0.00 C ATOM 0 H ILE A 79 11.333 2.230 10.068 1.00 0.00 H new ATOM 0 HA ILE A 79 13.397 2.287 12.257 1.00 0.00 H new ATOM 0 HB ILE A 79 13.108 -0.289 11.956 1.00 0.00 H new ATOM 0 HG12 ILE A 79 10.372 0.502 10.886 1.00 0.00 H new ATOM 0 HG13 ILE A 79 11.696 0.223 9.772 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.153 -0.305 13.485 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.307 0.973 13.934 1.00 0.00 H new ATOM 0 HG23 ILE A 79 10.811 1.390 13.065 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.404 -1.862 10.137 1.00 0.00 H new ATOM 0 HD12 ILE A 79 12.063 -2.041 10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 79 10.719 -1.758 11.885 1.00 0.00 H new ATOM 896 N ASP A 80 15.150 0.989 10.743 1.00 0.00 N ATOM 897 CA ASP A 80 16.236 0.690 9.761 1.00 0.00 C ATOM 898 C ASP A 80 16.045 -0.732 9.230 1.00 0.00 C ATOM 899 O ASP A 80 15.777 -1.652 9.978 1.00 0.00 O ATOM 900 CB ASP A 80 17.598 0.801 10.452 1.00 0.00 C ATOM 901 CG ASP A 80 18.702 0.910 9.397 1.00 0.00 C ATOM 902 OD1 ASP A 80 18.806 1.960 8.784 1.00 0.00 O ATOM 903 OD2 ASP A 80 19.424 -0.057 9.221 1.00 0.00 O ATOM 0 H ASP A 80 15.365 0.752 11.711 1.00 0.00 H new ATOM 0 HA ASP A 80 16.195 1.402 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.616 1.675 11.104 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.769 -0.071 11.083 1.00 0.00 H new ATOM 908 N VAL A 81 16.171 -0.917 7.944 1.00 0.00 N ATOM 909 CA VAL A 81 15.989 -2.278 7.349 1.00 0.00 C ATOM 910 C VAL A 81 17.043 -2.503 6.260 1.00 0.00 C ATOM 911 O VAL A 81 17.344 -1.623 5.479 1.00 0.00 O ATOM 912 CB VAL A 81 14.566 -2.368 6.765 1.00 0.00 C ATOM 913 CG1 VAL A 81 14.456 -3.522 5.762 1.00 0.00 C ATOM 914 CG2 VAL A 81 13.571 -2.602 7.906 1.00 0.00 C ATOM 0 H VAL A 81 16.393 -0.181 7.274 1.00 0.00 H new ATOM 0 HA VAL A 81 16.114 -3.050 8.108 1.00 0.00 H new ATOM 0 HB VAL A 81 14.343 -1.435 6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.442 -3.563 5.365 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.159 -3.362 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.688 -4.462 6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.561 -2.667 7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.817 -3.532 8.418 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.626 -1.774 8.612 1.00 0.00 H new ATOM 924 N LEU A 82 17.604 -3.682 6.205 1.00 0.00 N ATOM 925 CA LEU A 82 18.639 -3.975 5.171 1.00 0.00 C ATOM 926 C LEU A 82 17.955 -4.426 3.878 1.00 0.00 C ATOM 927 O LEU A 82 16.955 -5.116 3.897 1.00 0.00 O ATOM 928 CB LEU A 82 19.567 -5.089 5.667 1.00 0.00 C ATOM 929 CG LEU A 82 20.169 -4.707 7.030 1.00 0.00 C ATOM 930 CD1 LEU A 82 20.723 -5.960 7.711 1.00 0.00 C ATOM 931 CD2 LEU A 82 21.305 -3.695 6.846 1.00 0.00 C ATOM 0 H LEU A 82 17.389 -4.456 6.833 1.00 0.00 H new ATOM 0 HA LEU A 82 19.223 -3.074 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 82 19.012 -6.023 5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 82 20.364 -5.258 4.943 1.00 0.00 H new ATOM 0 HG LEU A 82 19.388 -4.261 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.150 -5.690 8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 82 19.918 -6.680 7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.496 -6.403 7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 82 21.721 -3.434 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 82 22.085 -4.133 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 82 20.918 -2.797 6.364 1.00 0.00 H new ATOM 943 N TRP A 83 18.489 -4.021 2.756 1.00 0.00 N ATOM 944 CA TRP A 83 17.900 -4.386 1.432 1.00 0.00 C ATOM 945 C TRP A 83 18.967 -5.119 0.613 1.00 0.00 C ATOM 946 O TRP A 83 19.947 -4.535 0.195 1.00 0.00 O ATOM 947 CB TRP A 83 17.497 -3.075 0.761 1.00 0.00 C ATOM 948 CG TRP A 83 17.083 -3.257 -0.667 1.00 0.00 C ATOM 949 CD1 TRP A 83 16.591 -4.390 -1.234 1.00 0.00 C ATOM 950 CD2 TRP A 83 17.109 -2.253 -1.718 1.00 0.00 C ATOM 951 NE1 TRP A 83 16.313 -4.131 -2.570 1.00 0.00 N ATOM 952 CE2 TRP A 83 16.619 -2.827 -2.912 1.00 0.00 C ATOM 953 CE3 TRP A 83 17.511 -0.904 -1.744 1.00 0.00 C ATOM 954 CZ2 TRP A 83 16.529 -2.086 -4.091 1.00 0.00 C ATOM 955 CZ3 TRP A 83 17.425 -0.160 -2.929 1.00 0.00 C ATOM 956 CH2 TRP A 83 16.934 -0.750 -4.099 1.00 0.00 C ATOM 0 H TRP A 83 19.326 -3.441 2.700 1.00 0.00 H new ATOM 0 HA TRP A 83 17.033 -5.041 1.524 1.00 0.00 H new ATOM 0 HB2 TRP A 83 16.675 -2.625 1.318 1.00 0.00 H new ATOM 0 HB3 TRP A 83 18.333 -2.377 0.806 1.00 0.00 H new ATOM 0 HD1 TRP A 83 16.441 -5.333 -0.730 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.930 -4.818 -3.219 1.00 0.00 H new ATOM 0 HE3 TRP A 83 17.888 -0.439 -0.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.148 -2.543 -4.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 17.739 0.873 -2.939 1.00 0.00 H new ATOM 0 HH2 TRP A 83 16.868 -0.172 -5.009 1.00 0.00 H new ATOM 967 N ILE A 84 18.796 -6.406 0.408 1.00 0.00 N ATOM 968 CA ILE A 84 19.813 -7.205 -0.356 1.00 0.00 C ATOM 969 C ILE A 84 19.125 -7.998 -1.471 1.00 0.00 C ATOM 970 O ILE A 84 17.990 -8.413 -1.344 1.00 0.00 O ATOM 971 CB ILE A 84 20.503 -8.173 0.614 1.00 0.00 C ATOM 972 CG1 ILE A 84 21.024 -7.391 1.823 1.00 0.00 C ATOM 973 CG2 ILE A 84 21.681 -8.860 -0.081 1.00 0.00 C ATOM 974 CD1 ILE A 84 21.799 -8.332 2.746 1.00 0.00 C ATOM 0 H ILE A 84 17.992 -6.940 0.738 1.00 0.00 H new ATOM 0 HA ILE A 84 20.547 -6.536 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 84 19.785 -8.927 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 84 21.669 -6.577 1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.192 -6.939 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 84 22.165 -9.545 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 84 21.319 -9.416 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 84 22.399 -8.108 -0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 84 22.169 -7.774 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 84 21.140 -9.131 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 84 22.640 -8.763 2.203 1.00 0.00 H new ATOM 986 N LYS A 85 19.813 -8.201 -2.570 1.00 0.00 N ATOM 987 CA LYS A 85 19.226 -8.959 -3.723 1.00 0.00 C ATOM 988 C LYS A 85 19.871 -10.342 -3.821 1.00 0.00 C ATOM 989 O LYS A 85 20.961 -10.573 -3.337 1.00 0.00 O ATOM 990 CB LYS A 85 19.487 -8.177 -5.021 1.00 0.00 C ATOM 991 CG LYS A 85 18.395 -7.133 -5.218 1.00 0.00 C ATOM 992 CD LYS A 85 18.697 -6.286 -6.460 1.00 0.00 C ATOM 993 CE LYS A 85 17.422 -5.591 -6.944 1.00 0.00 C ATOM 994 NZ LYS A 85 17.017 -4.559 -5.957 1.00 0.00 N ATOM 0 H LYS A 85 20.766 -7.870 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 85 18.153 -9.079 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.463 -7.693 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.509 -8.860 -5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.428 -7.623 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 85 18.330 -6.493 -4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.460 -5.543 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 85 19.099 -6.918 -7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 85 17.592 -5.132 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.623 -6.321 -7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.141 -4.098 -6.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.855 -5.007 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.771 -3.848 -5.869 1.00 0.00 H new ATOM 1008 N GLY A 86 19.187 -11.266 -4.444 1.00 0.00 N ATOM 1009 CA GLY A 86 19.729 -12.650 -4.584 1.00 0.00 C ATOM 1010 C GLY A 86 20.389 -12.826 -5.951 1.00 0.00 C ATOM 1011 O GLY A 86 20.638 -11.877 -6.668 1.00 0.00 O ATOM 0 H GLY A 86 18.269 -11.120 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 86 20.455 -12.845 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.925 -13.376 -4.465 1.00 0.00 H new ATOM 1015 N ALA A 87 20.684 -14.047 -6.303 1.00 0.00 N ATOM 1016 CA ALA A 87 21.343 -14.325 -7.610 1.00 0.00 C ATOM 1017 C ALA A 87 20.371 -14.083 -8.775 1.00 0.00 C ATOM 1018 O ALA A 87 20.760 -14.153 -9.925 1.00 0.00 O ATOM 1019 CB ALA A 87 21.810 -15.787 -7.629 1.00 0.00 C ATOM 0 H ALA A 87 20.494 -14.872 -5.735 1.00 0.00 H new ATOM 0 HA ALA A 87 22.194 -13.654 -7.728 1.00 0.00 H new ATOM 0 HB1 ALA A 87 22.294 -16.002 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.517 -15.954 -6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.950 -16.445 -7.502 1.00 0.00 H new ATOM 1025 N GLN A 88 19.111 -13.819 -8.501 1.00 0.00 N ATOM 1026 CA GLN A 88 18.121 -13.595 -9.610 1.00 0.00 C ATOM 1027 C GLN A 88 17.334 -12.296 -9.384 1.00 0.00 C ATOM 1028 O GLN A 88 16.180 -12.190 -9.750 1.00 0.00 O ATOM 1029 CB GLN A 88 17.159 -14.783 -9.662 1.00 0.00 C ATOM 1030 CG GLN A 88 17.972 -16.081 -9.646 1.00 0.00 C ATOM 1031 CD GLN A 88 17.079 -17.258 -10.041 1.00 0.00 C ATOM 1032 OE1 GLN A 88 15.944 -17.071 -10.432 1.00 0.00 O ATOM 1033 NE2 GLN A 88 17.549 -18.475 -9.955 1.00 0.00 N ATOM 0 H GLN A 88 18.726 -13.749 -7.559 1.00 0.00 H new ATOM 0 HA GLN A 88 18.657 -13.506 -10.555 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.478 -14.754 -8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.547 -14.733 -10.562 1.00 0.00 H new ATOM 0 HG2 GLN A 88 18.812 -16.003 -10.336 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.389 -16.247 -8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.502 -18.632 -9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.963 -19.268 -10.216 1.00 0.00 H new ATOM 1042 N GLY A 89 17.956 -11.299 -8.816 1.00 0.00 N ATOM 1043 CA GLY A 89 17.254 -9.996 -8.604 1.00 0.00 C ATOM 1044 C GLY A 89 16.238 -10.091 -7.459 1.00 0.00 C ATOM 1045 O GLY A 89 15.751 -9.090 -6.972 1.00 0.00 O ATOM 0 H GLY A 89 18.921 -11.328 -8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.985 -9.219 -8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.745 -9.701 -9.522 1.00 0.00 H new ATOM 1049 N GLY A 90 15.905 -11.275 -7.028 1.00 0.00 N ATOM 1050 CA GLY A 90 14.918 -11.414 -5.927 1.00 0.00 C ATOM 1051 C GLY A 90 15.303 -10.494 -4.772 1.00 0.00 C ATOM 1052 O GLY A 90 16.258 -10.730 -4.061 1.00 0.00 O ATOM 0 H GLY A 90 16.275 -12.153 -7.393 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.920 -11.164 -6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.884 -12.448 -5.585 1.00 0.00 H new ATOM 1056 N ASP A 91 14.562 -9.447 -4.582 1.00 0.00 N ATOM 1057 CA ASP A 91 14.868 -8.509 -3.473 1.00 0.00 C ATOM 1058 C ASP A 91 14.385 -9.126 -2.160 1.00 0.00 C ATOM 1059 O ASP A 91 13.290 -9.646 -2.071 1.00 0.00 O ATOM 1060 CB ASP A 91 14.154 -7.169 -3.717 1.00 0.00 C ATOM 1061 CG ASP A 91 15.008 -6.284 -4.627 1.00 0.00 C ATOM 1062 OD1 ASP A 91 16.088 -5.909 -4.204 1.00 0.00 O ATOM 1063 OD2 ASP A 91 14.567 -5.997 -5.728 1.00 0.00 O ATOM 0 H ASP A 91 13.752 -9.197 -5.150 1.00 0.00 H new ATOM 0 HA ASP A 91 15.942 -8.330 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.180 -7.344 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.975 -6.664 -2.768 1.00 0.00 H new ATOM 1068 N TYR A 92 15.201 -9.068 -1.142 1.00 0.00 N ATOM 1069 CA TYR A 92 14.823 -9.641 0.187 1.00 0.00 C ATOM 1070 C TYR A 92 15.040 -8.565 1.254 1.00 0.00 C ATOM 1071 O TYR A 92 16.100 -7.979 1.347 1.00 0.00 O ATOM 1072 CB TYR A 92 15.706 -10.861 0.470 1.00 0.00 C ATOM 1073 CG TYR A 92 15.445 -11.920 -0.583 1.00 0.00 C ATOM 1074 CD1 TYR A 92 14.406 -12.844 -0.409 1.00 0.00 C ATOM 1075 CD2 TYR A 92 16.240 -11.978 -1.736 1.00 0.00 C ATOM 1076 CE1 TYR A 92 14.163 -13.820 -1.382 1.00 0.00 C ATOM 1077 CE2 TYR A 92 15.995 -12.954 -2.708 1.00 0.00 C ATOM 1078 CZ TYR A 92 14.957 -13.875 -2.532 1.00 0.00 C ATOM 1079 OH TYR A 92 14.717 -14.837 -3.491 1.00 0.00 O ATOM 0 H TYR A 92 16.127 -8.642 -1.173 1.00 0.00 H new ATOM 0 HA TYR A 92 13.779 -9.953 0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 92 16.757 -10.574 0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 92 15.492 -11.257 1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 92 13.791 -12.803 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 92 17.042 -11.269 -1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.362 -14.531 -1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.608 -12.996 -3.596 1.00 0.00 H new ATOM 0 HH TYR A 92 15.358 -14.734 -4.225 1.00 0.00 H new ATOM 1089 N PHE A 93 14.032 -8.279 2.045 1.00 0.00 N ATOM 1090 CA PHE A 93 14.159 -7.219 3.088 1.00 0.00 C ATOM 1091 C PHE A 93 14.399 -7.855 4.459 1.00 0.00 C ATOM 1092 O PHE A 93 13.601 -8.627 4.954 1.00 0.00 O ATOM 1093 CB PHE A 93 12.868 -6.390 3.104 1.00 0.00 C ATOM 1094 CG PHE A 93 12.615 -5.821 1.720 1.00 0.00 C ATOM 1095 CD1 PHE A 93 13.341 -4.708 1.270 1.00 0.00 C ATOM 1096 CD2 PHE A 93 11.663 -6.415 0.878 1.00 0.00 C ATOM 1097 CE1 PHE A 93 13.117 -4.198 -0.014 1.00 0.00 C ATOM 1098 CE2 PHE A 93 11.439 -5.899 -0.404 1.00 0.00 C ATOM 1099 CZ PHE A 93 12.168 -4.793 -0.851 1.00 0.00 C ATOM 0 H PHE A 93 13.122 -8.739 2.010 1.00 0.00 H new ATOM 0 HA PHE A 93 15.007 -6.574 2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 93 12.028 -7.012 3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 93 12.951 -5.582 3.831 1.00 0.00 H new ATOM 0 HD1 PHE A 93 14.073 -4.245 1.915 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.102 -7.272 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 93 13.679 -3.343 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.702 -6.356 -1.048 1.00 0.00 H new ATOM 0 HZ PHE A 93 11.998 -4.398 -1.842 1.00 0.00 H new ATOM 1109 N TYR A 94 15.512 -7.530 5.066 1.00 0.00 N ATOM 1110 CA TYR A 94 15.865 -8.091 6.406 1.00 0.00 C ATOM 1111 C TYR A 94 15.735 -6.998 7.469 1.00 0.00 C ATOM 1112 O TYR A 94 16.272 -5.918 7.327 1.00 0.00 O ATOM 1113 CB TYR A 94 17.324 -8.592 6.364 1.00 0.00 C ATOM 1114 CG TYR A 94 17.357 -10.059 6.022 1.00 0.00 C ATOM 1115 CD1 TYR A 94 17.332 -10.466 4.686 1.00 0.00 C ATOM 1116 CD2 TYR A 94 17.406 -11.008 7.046 1.00 0.00 C ATOM 1117 CE1 TYR A 94 17.358 -11.826 4.371 1.00 0.00 C ATOM 1118 CE2 TYR A 94 17.430 -12.370 6.731 1.00 0.00 C ATOM 1119 CZ TYR A 94 17.406 -12.780 5.393 1.00 0.00 C ATOM 1120 OH TYR A 94 17.430 -14.125 5.083 1.00 0.00 O ATOM 0 H TYR A 94 16.204 -6.887 4.682 1.00 0.00 H new ATOM 0 HA TYR A 94 15.194 -8.914 6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 94 17.890 -8.025 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.802 -8.425 7.329 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.293 -9.729 3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.425 -10.690 8.078 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.341 -12.141 3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 94 17.467 -13.106 7.520 1.00 0.00 H new ATOM 0 HH TYR A 94 17.464 -14.651 5.909 1.00 0.00 H new ATOM 1130 N SER A 95 15.044 -7.288 8.542 1.00 0.00 N ATOM 1131 CA SER A 95 14.882 -6.291 9.644 1.00 0.00 C ATOM 1132 C SER A 95 15.441 -6.889 10.938 1.00 0.00 C ATOM 1133 O SER A 95 15.078 -7.977 11.338 1.00 0.00 O ATOM 1134 CB SER A 95 13.394 -5.958 9.822 1.00 0.00 C ATOM 1135 OG SER A 95 13.265 -4.667 10.399 1.00 0.00 O ATOM 0 H SER A 95 14.580 -8.182 8.703 1.00 0.00 H new ATOM 0 HA SER A 95 15.422 -5.376 9.400 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.885 -5.990 8.859 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.917 -6.703 10.459 1.00 0.00 H new ATOM 0 HG SER A 95 12.521 -4.192 9.974 1.00 0.00 H new ATOM 1141 N PHE A 96 16.306 -6.169 11.604 1.00 0.00 N ATOM 1142 CA PHE A 96 16.885 -6.653 12.887 1.00 0.00 C ATOM 1143 C PHE A 96 16.650 -5.558 13.923 1.00 0.00 C ATOM 1144 O PHE A 96 17.474 -4.689 14.129 1.00 0.00 O ATOM 1145 CB PHE A 96 18.389 -6.861 12.718 1.00 0.00 C ATOM 1146 CG PHE A 96 18.643 -8.148 11.969 1.00 0.00 C ATOM 1147 CD1 PHE A 96 18.426 -9.376 12.599 1.00 0.00 C ATOM 1148 CD2 PHE A 96 19.107 -8.112 10.653 1.00 0.00 C ATOM 1149 CE1 PHE A 96 18.671 -10.570 11.910 1.00 0.00 C ATOM 1150 CE2 PHE A 96 19.357 -9.301 9.965 1.00 0.00 C ATOM 1151 CZ PHE A 96 19.138 -10.532 10.592 1.00 0.00 C ATOM 0 H PHE A 96 16.639 -5.252 11.306 1.00 0.00 H new ATOM 0 HA PHE A 96 16.427 -7.594 13.192 1.00 0.00 H new ATOM 0 HB2 PHE A 96 18.824 -6.021 12.176 1.00 0.00 H new ATOM 0 HB3 PHE A 96 18.873 -6.895 13.694 1.00 0.00 H new ATOM 0 HD1 PHE A 96 18.069 -9.404 13.618 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.273 -7.162 10.166 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.500 -11.519 12.396 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.720 -9.270 8.948 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.329 -11.452 10.059 1.00 0.00 H new ATOM 1161 N GLY A 97 15.520 -5.592 14.562 1.00 0.00 N ATOM 1162 CA GLY A 97 15.178 -4.560 15.583 1.00 0.00 C ATOM 1163 C GLY A 97 13.734 -4.120 15.346 1.00 0.00 C ATOM 1164 O GLY A 97 12.955 -4.828 14.739 1.00 0.00 O ATOM 0 H GLY A 97 14.803 -6.303 14.420 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.292 -4.966 16.588 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.853 -3.708 15.505 1.00 0.00 H new ATOM 1168 N GLY A 98 13.371 -2.954 15.801 1.00 0.00 N ATOM 1169 CA GLY A 98 11.977 -2.469 15.578 1.00 0.00 C ATOM 1170 C GLY A 98 10.971 -3.584 15.898 1.00 0.00 C ATOM 1171 O GLY A 98 9.892 -3.632 15.341 1.00 0.00 O ATOM 0 H GLY A 98 13.976 -2.315 16.317 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.781 -1.601 16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.857 -2.147 14.544 1.00 0.00 H new ATOM 1175 N CYS A 99 11.317 -4.488 16.775 1.00 0.00 N ATOM 1176 CA CYS A 99 10.386 -5.602 17.110 1.00 0.00 C ATOM 1177 C CYS A 99 9.075 -5.048 17.681 1.00 0.00 C ATOM 1178 O CYS A 99 8.002 -5.351 17.200 1.00 0.00 O ATOM 1179 CB CYS A 99 11.051 -6.522 18.139 1.00 0.00 C ATOM 1180 SG CYS A 99 12.807 -6.702 17.737 1.00 0.00 S ATOM 0 H CYS A 99 12.206 -4.502 17.274 1.00 0.00 H new ATOM 0 HA CYS A 99 10.160 -6.164 16.204 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.936 -6.108 19.141 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.565 -7.497 18.139 1.00 0.00 H new ATOM 0 HG CYS A 99 13.374 -7.481 18.610 1.00 0.00 H new ATOM 1186 N HIS A 100 9.150 -4.249 18.710 1.00 0.00 N ATOM 1187 CA HIS A 100 7.904 -3.693 19.309 1.00 0.00 C ATOM 1188 C HIS A 100 7.182 -2.809 18.287 1.00 0.00 C ATOM 1189 O HIS A 100 6.022 -3.016 17.990 1.00 0.00 O ATOM 1190 CB HIS A 100 8.261 -2.872 20.555 1.00 0.00 C ATOM 1191 CG HIS A 100 8.526 -3.799 21.713 1.00 0.00 C ATOM 1192 ND1 HIS A 100 9.667 -4.582 21.789 1.00 0.00 N ATOM 1193 CD2 HIS A 100 7.800 -4.083 22.842 1.00 0.00 C ATOM 1194 CE1 HIS A 100 9.595 -5.295 22.929 1.00 0.00 C ATOM 1195 NE2 HIS A 100 8.476 -5.028 23.609 1.00 0.00 N ATOM 0 H HIS A 100 10.017 -3.958 19.161 1.00 0.00 H new ATOM 0 HA HIS A 100 7.242 -4.511 19.593 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.140 -2.258 20.359 1.00 0.00 H new ATOM 0 HB3 HIS A 100 7.446 -2.191 20.800 1.00 0.00 H new ATOM 0 HD1 HIS A 100 10.424 -4.613 21.106 1.00 0.00 H new ATOM 0 HD2 HIS A 100 6.848 -3.641 23.097 1.00 0.00 H new ATOM 0 HE1 HIS A 100 10.349 -5.997 23.254 1.00 0.00 H new ATOM 1203 N ARG A 101 7.848 -1.828 17.742 1.00 0.00 N ATOM 1204 CA ARG A 101 7.177 -0.949 16.743 1.00 0.00 C ATOM 1205 C ARG A 101 6.570 -1.822 15.636 1.00 0.00 C ATOM 1206 O ARG A 101 5.567 -1.480 15.044 1.00 0.00 O ATOM 1207 CB ARG A 101 8.192 0.048 16.154 1.00 0.00 C ATOM 1208 CG ARG A 101 8.490 1.146 17.192 1.00 0.00 C ATOM 1209 CD ARG A 101 9.865 1.771 16.930 1.00 0.00 C ATOM 1210 NE ARG A 101 9.868 2.459 15.609 1.00 0.00 N ATOM 1211 CZ ARG A 101 10.900 3.176 15.256 1.00 0.00 C ATOM 1212 NH1 ARG A 101 11.922 3.288 16.059 1.00 0.00 N ATOM 1213 NH2 ARG A 101 10.911 3.782 14.101 1.00 0.00 N ATOM 0 H ARG A 101 8.821 -1.598 17.943 1.00 0.00 H new ATOM 0 HA ARG A 101 6.382 -0.380 17.225 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.112 -0.470 15.882 1.00 0.00 H new ATOM 0 HB3 ARG A 101 7.795 0.493 15.242 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.719 1.916 17.148 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.461 0.723 18.196 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.107 2.482 17.720 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.634 0.999 16.949 1.00 0.00 H new ATOM 0 HE ARG A 101 9.067 2.370 14.983 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.915 2.815 16.963 1.00 0.00 H new ATOM 0 HH12 ARG A 101 12.728 3.848 15.783 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.112 3.696 13.472 1.00 0.00 H new ATOM 0 HH22 ARG A 101 11.718 4.342 13.827 1.00 0.00 H new ATOM 1227 N TYR A 102 7.162 -2.955 15.367 1.00 0.00 N ATOM 1228 CA TYR A 102 6.612 -3.861 14.311 1.00 0.00 C ATOM 1229 C TYR A 102 5.322 -4.508 14.832 1.00 0.00 C ATOM 1230 O TYR A 102 4.331 -4.589 14.135 1.00 0.00 O ATOM 1231 CB TYR A 102 7.668 -4.936 13.970 1.00 0.00 C ATOM 1232 CG TYR A 102 7.029 -6.183 13.382 1.00 0.00 C ATOM 1233 CD1 TYR A 102 6.534 -6.176 12.071 1.00 0.00 C ATOM 1234 CD2 TYR A 102 6.955 -7.355 14.149 1.00 0.00 C ATOM 1235 CE1 TYR A 102 5.967 -7.336 11.530 1.00 0.00 C ATOM 1236 CE2 TYR A 102 6.386 -8.512 13.609 1.00 0.00 C ATOM 1237 CZ TYR A 102 5.893 -8.504 12.299 1.00 0.00 C ATOM 1238 OH TYR A 102 5.334 -9.647 11.765 1.00 0.00 O ATOM 0 H TYR A 102 8.004 -3.295 15.832 1.00 0.00 H new ATOM 0 HA TYR A 102 6.381 -3.299 13.406 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.388 -4.527 13.261 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.222 -5.201 14.871 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.590 -5.275 11.478 1.00 0.00 H new ATOM 0 HD2 TYR A 102 7.338 -7.364 15.159 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.587 -7.330 10.519 1.00 0.00 H new ATOM 0 HE2 TYR A 102 6.327 -9.412 14.203 1.00 0.00 H new ATOM 0 HH TYR A 102 4.475 -9.826 12.202 1.00 0.00 H new ATOM 1248 N ALA A 103 5.332 -4.969 16.050 1.00 0.00 N ATOM 1249 CA ALA A 103 4.111 -5.611 16.615 1.00 0.00 C ATOM 1250 C ALA A 103 2.937 -4.631 16.564 1.00 0.00 C ATOM 1251 O ALA A 103 1.845 -4.978 16.160 1.00 0.00 O ATOM 1252 CB ALA A 103 4.366 -6.003 18.071 1.00 0.00 C ATOM 0 H ALA A 103 6.133 -4.930 16.680 1.00 0.00 H new ATOM 0 HA ALA A 103 3.873 -6.498 16.028 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.473 -6.472 18.483 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.199 -6.704 18.118 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.608 -5.112 18.651 1.00 0.00 H new ATOM 1258 N ALA A 104 3.148 -3.415 16.985 1.00 0.00 N ATOM 1259 CA ALA A 104 2.038 -2.423 16.977 1.00 0.00 C ATOM 1260 C ALA A 104 1.472 -2.282 15.562 1.00 0.00 C ATOM 1261 O ALA A 104 0.274 -2.252 15.365 1.00 0.00 O ATOM 1262 CB ALA A 104 2.559 -1.066 17.459 1.00 0.00 C ATOM 0 H ALA A 104 4.041 -3.066 17.334 1.00 0.00 H new ATOM 0 HA ALA A 104 1.248 -2.767 17.644 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.745 -0.341 17.453 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.949 -1.165 18.472 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.354 -0.725 16.796 1.00 0.00 H new ATOM 1268 N TYR A 105 2.320 -2.193 14.575 1.00 0.00 N ATOM 1269 CA TYR A 105 1.823 -2.052 13.182 1.00 0.00 C ATOM 1270 C TYR A 105 1.072 -3.332 12.780 1.00 0.00 C ATOM 1271 O TYR A 105 0.075 -3.282 12.087 1.00 0.00 O ATOM 1272 CB TYR A 105 3.029 -1.820 12.246 1.00 0.00 C ATOM 1273 CG TYR A 105 3.192 -0.345 11.936 1.00 0.00 C ATOM 1274 CD1 TYR A 105 2.404 0.252 10.945 1.00 0.00 C ATOM 1275 CD2 TYR A 105 4.133 0.420 12.635 1.00 0.00 C ATOM 1276 CE1 TYR A 105 2.555 1.613 10.654 1.00 0.00 C ATOM 1277 CE2 TYR A 105 4.285 1.781 12.344 1.00 0.00 C ATOM 1278 CZ TYR A 105 3.496 2.378 11.354 1.00 0.00 C ATOM 1279 OH TYR A 105 3.646 3.719 11.067 1.00 0.00 O ATOM 0 H TYR A 105 3.335 -2.212 14.675 1.00 0.00 H new ATOM 0 HA TYR A 105 1.140 -1.206 13.106 1.00 0.00 H new ATOM 0 HB2 TYR A 105 3.937 -2.201 12.714 1.00 0.00 H new ATOM 0 HB3 TYR A 105 2.889 -2.378 11.320 1.00 0.00 H new ATOM 0 HD1 TYR A 105 1.679 -0.338 10.404 1.00 0.00 H new ATOM 0 HD2 TYR A 105 4.742 -0.040 13.399 1.00 0.00 H new ATOM 0 HE1 TYR A 105 1.946 2.073 9.890 1.00 0.00 H new ATOM 0 HE2 TYR A 105 5.011 2.370 12.884 1.00 0.00 H new ATOM 0 HH TYR A 105 4.340 4.101 11.644 1.00 0.00 H new ATOM 1289 N GLN A 106 1.544 -4.474 13.200 1.00 0.00 N ATOM 1290 CA GLN A 106 0.864 -5.740 12.834 1.00 0.00 C ATOM 1291 C GLN A 106 -0.511 -5.807 13.512 1.00 0.00 C ATOM 1292 O GLN A 106 -1.438 -6.396 12.994 1.00 0.00 O ATOM 1293 CB GLN A 106 1.721 -6.913 13.309 1.00 0.00 C ATOM 1294 CG GLN A 106 1.160 -8.223 12.754 1.00 0.00 C ATOM 1295 CD GLN A 106 1.737 -9.398 13.554 1.00 0.00 C ATOM 1296 OE1 GLN A 106 2.765 -10.062 13.096 1.00 0.00 O flip ATOM 1297 NE2 GLN A 106 1.242 -9.717 14.617 1.00 0.00 N flip ATOM 0 H GLN A 106 2.374 -4.581 13.783 1.00 0.00 H new ATOM 0 HA GLN A 106 0.731 -5.786 11.753 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.751 -6.779 12.979 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.737 -6.946 14.398 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.072 -8.223 12.819 1.00 0.00 H new ATOM 0 HG3 GLN A 106 1.417 -8.325 11.700 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.439 -9.203 14.981 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.629 -10.499 15.146 1.00 0.00 H new ATOM 1306 N GLN A 107 -0.644 -5.227 14.675 1.00 0.00 N ATOM 1307 CA GLN A 107 -1.951 -5.279 15.390 1.00 0.00 C ATOM 1308 C GLN A 107 -2.971 -4.371 14.697 1.00 0.00 C ATOM 1309 O GLN A 107 -4.145 -4.678 14.638 1.00 0.00 O ATOM 1310 CB GLN A 107 -1.752 -4.819 16.839 1.00 0.00 C ATOM 1311 CG GLN A 107 -3.112 -4.731 17.547 1.00 0.00 C ATOM 1312 CD GLN A 107 -2.917 -4.820 19.064 1.00 0.00 C ATOM 1313 OE1 GLN A 107 -1.894 -4.420 19.583 1.00 0.00 O ATOM 1314 NE2 GLN A 107 -3.865 -5.334 19.801 1.00 0.00 N ATOM 0 H GLN A 107 0.096 -4.720 15.160 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.326 -6.302 15.376 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.102 -5.517 17.366 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.258 -3.847 16.857 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -3.606 -3.794 17.289 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.762 -5.538 17.207 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.724 -5.670 19.366 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.746 -5.399 20.812 1.00 0.00 H new ATOM 1323 N LEU A 108 -2.540 -3.256 14.180 1.00 0.00 N ATOM 1324 CA LEU A 108 -3.496 -2.334 13.502 1.00 0.00 C ATOM 1325 C LEU A 108 -3.843 -2.877 12.113 1.00 0.00 C ATOM 1326 O LEU A 108 -4.401 -2.183 11.286 1.00 0.00 O ATOM 1327 CB LEU A 108 -2.859 -0.949 13.379 1.00 0.00 C ATOM 1328 CG LEU A 108 -2.684 -0.337 14.781 1.00 0.00 C ATOM 1329 CD1 LEU A 108 -1.878 0.966 14.679 1.00 0.00 C ATOM 1330 CD2 LEU A 108 -4.062 -0.052 15.418 1.00 0.00 C ATOM 0 H LEU A 108 -1.570 -2.942 14.196 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.411 -2.260 14.089 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.893 -1.025 12.881 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.485 -0.303 12.764 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.147 -1.046 15.411 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.756 1.397 15.673 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.898 0.755 14.252 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.408 1.672 14.040 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.922 0.380 16.409 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.615 0.648 14.791 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.623 -0.983 15.504 1.00 0.00 H new ATOM 1342 N GLN A 109 -3.530 -4.118 11.859 1.00 0.00 N ATOM 1343 CA GLN A 109 -3.852 -4.721 10.532 1.00 0.00 C ATOM 1344 C GLN A 109 -3.480 -3.756 9.402 1.00 0.00 C ATOM 1345 O GLN A 109 -4.094 -3.753 8.354 1.00 0.00 O ATOM 1346 CB GLN A 109 -5.350 -5.025 10.465 1.00 0.00 C ATOM 1347 CG GLN A 109 -5.783 -5.740 11.746 1.00 0.00 C ATOM 1348 CD GLN A 109 -7.174 -6.347 11.547 1.00 0.00 C ATOM 1349 OE1 GLN A 109 -8.169 -5.657 11.644 1.00 0.00 O ATOM 1350 NE2 GLN A 109 -7.285 -7.617 11.269 1.00 0.00 N ATOM 0 H GLN A 109 -3.063 -4.744 12.515 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.279 -5.641 10.414 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.914 -4.101 10.343 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.567 -5.648 9.597 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.066 -6.521 11.999 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -5.797 -5.038 12.580 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.449 -8.196 11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -8.207 -8.031 11.133 1.00 0.00 H new ATOM 1359 N ARG A 110 -2.476 -2.946 9.596 1.00 0.00 N ATOM 1360 CA ARG A 110 -2.072 -2.002 8.521 1.00 0.00 C ATOM 1361 C ARG A 110 -1.585 -2.806 7.320 1.00 0.00 C ATOM 1362 O ARG A 110 -1.230 -3.960 7.437 1.00 0.00 O ATOM 1363 CB ARG A 110 -0.939 -1.100 9.026 1.00 0.00 C ATOM 1364 CG ARG A 110 -1.478 -0.073 10.041 1.00 0.00 C ATOM 1365 CD ARG A 110 -2.063 1.144 9.311 1.00 0.00 C ATOM 1366 NE ARG A 110 -2.421 2.193 10.308 1.00 0.00 N ATOM 1367 CZ ARG A 110 -2.783 3.380 9.904 1.00 0.00 C ATOM 1368 NH1 ARG A 110 -2.833 3.648 8.628 1.00 0.00 N ATOM 1369 NH2 ARG A 110 -3.096 4.298 10.777 1.00 0.00 N ATOM 0 H ARG A 110 -1.921 -2.898 10.450 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.921 -1.382 8.235 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.163 -1.707 9.492 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.477 -0.582 8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.244 -0.535 10.663 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.676 0.245 10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.339 1.537 8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.945 0.851 8.742 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.383 1.983 11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.589 2.930 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -3.116 4.576 8.312 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.058 4.088 11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.379 5.226 10.462 1.00 0.00 H new ATOM 1383 N GLU A 111 -1.578 -2.207 6.167 1.00 0.00 N ATOM 1384 CA GLU A 111 -1.121 -2.936 4.946 1.00 0.00 C ATOM 1385 C GLU A 111 0.413 -2.897 4.858 1.00 0.00 C ATOM 1386 O GLU A 111 1.044 -3.888 4.540 1.00 0.00 O ATOM 1387 CB GLU A 111 -1.735 -2.279 3.696 1.00 0.00 C ATOM 1388 CG GLU A 111 -3.162 -2.800 3.480 1.00 0.00 C ATOM 1389 CD GLU A 111 -3.894 -1.892 2.490 1.00 0.00 C ATOM 1390 OE1 GLU A 111 -4.155 -0.753 2.843 1.00 0.00 O ATOM 1391 OE2 GLU A 111 -4.181 -2.350 1.397 1.00 0.00 O ATOM 0 H GLU A 111 -1.869 -1.242 6.012 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.445 -3.975 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -1.748 -1.195 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -1.122 -2.498 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.134 -3.821 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.698 -2.827 4.429 1.00 0.00 H new ATOM 1398 N THR A 112 1.021 -1.761 5.121 1.00 0.00 N ATOM 1399 CA THR A 112 2.515 -1.661 5.031 1.00 0.00 C ATOM 1400 C THR A 112 3.072 -0.944 6.258 1.00 0.00 C ATOM 1401 O THR A 112 2.337 -0.495 7.115 1.00 0.00 O ATOM 1402 CB THR A 112 2.882 -0.849 3.788 1.00 0.00 C ATOM 1403 OG1 THR A 112 2.172 0.382 3.814 1.00 0.00 O ATOM 1404 CG2 THR A 112 2.513 -1.622 2.510 1.00 0.00 C ATOM 0 H THR A 112 0.547 -0.900 5.394 1.00 0.00 H new ATOM 0 HA THR A 112 2.935 -2.665 4.976 1.00 0.00 H new ATOM 0 HB THR A 112 3.956 -0.665 3.788 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.002 0.681 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.781 -1.029 1.636 1.00 0.00 H new ATOM 0 HG22 THR A 112 3.055 -2.567 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.441 -1.818 2.500 1.00 0.00 H new ATOM 1412 N ILE A 113 4.377 -0.826 6.336 1.00 0.00 N ATOM 1413 CA ILE A 113 5.011 -0.124 7.503 1.00 0.00 C ATOM 1414 C ILE A 113 6.149 0.790 7.009 1.00 0.00 C ATOM 1415 O ILE A 113 6.894 0.399 6.132 1.00 0.00 O ATOM 1416 CB ILE A 113 5.611 -1.153 8.465 1.00 0.00 C ATOM 1417 CG1 ILE A 113 6.080 -0.424 9.727 1.00 0.00 C ATOM 1418 CG2 ILE A 113 6.808 -1.854 7.809 1.00 0.00 C ATOM 1419 CD1 ILE A 113 6.549 -1.439 10.771 1.00 0.00 C ATOM 0 H ILE A 113 5.033 -1.185 5.642 1.00 0.00 H new ATOM 0 HA ILE A 113 4.247 0.465 8.009 1.00 0.00 H new ATOM 0 HB ILE A 113 4.859 -1.901 8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.892 0.260 9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 113 5.267 0.179 10.133 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.227 -2.584 8.502 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.480 -2.362 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.569 -1.115 7.556 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.881 -0.913 11.666 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.725 -2.105 11.026 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.375 -2.023 10.365 1.00 0.00 H new ATOM 1431 N PRO A 114 6.336 1.978 7.565 1.00 0.00 N ATOM 1432 CA PRO A 114 7.459 2.857 7.132 1.00 0.00 C ATOM 1433 C PRO A 114 8.805 2.269 7.573 1.00 0.00 C ATOM 1434 O PRO A 114 8.985 1.898 8.716 1.00 0.00 O ATOM 1435 CB PRO A 114 7.194 4.212 7.829 1.00 0.00 C ATOM 1436 CG PRO A 114 5.806 4.116 8.391 1.00 0.00 C ATOM 1437 CD PRO A 114 5.543 2.631 8.632 1.00 0.00 C ATOM 0 HA PRO A 114 7.509 2.959 6.048 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.924 4.396 8.618 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.274 5.038 7.122 1.00 0.00 H new ATOM 0 HG2 PRO A 114 5.722 4.681 9.319 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.076 4.533 7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 114 5.867 2.319 9.625 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.483 2.390 8.553 1.00 0.00 H new ATOM 1445 N ALA A 115 9.744 2.179 6.680 1.00 0.00 N ATOM 1446 CA ALA A 115 11.073 1.611 7.047 1.00 0.00 C ATOM 1447 C ALA A 115 12.143 2.179 6.118 1.00 0.00 C ATOM 1448 O ALA A 115 11.966 2.250 4.917 1.00 0.00 O ATOM 1449 CB ALA A 115 11.033 0.088 6.906 1.00 0.00 C ATOM 0 H ALA A 115 9.652 2.474 5.708 1.00 0.00 H new ATOM 0 HA ALA A 115 11.309 1.875 8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 115 12.004 -0.328 7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 115 10.269 -0.319 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 115 10.797 -0.176 5.875 1.00 0.00 H new ATOM 1455 N LYS A 116 13.255 2.586 6.664 1.00 0.00 N ATOM 1456 CA LYS A 116 14.339 3.149 5.814 1.00 0.00 C ATOM 1457 C LYS A 116 15.075 2.001 5.120 1.00 0.00 C ATOM 1458 O LYS A 116 15.670 1.156 5.759 1.00 0.00 O ATOM 1459 CB LYS A 116 15.318 3.952 6.693 1.00 0.00 C ATOM 1460 CG LYS A 116 15.913 5.110 5.893 1.00 0.00 C ATOM 1461 CD LYS A 116 16.681 4.563 4.688 1.00 0.00 C ATOM 1462 CE LYS A 116 17.516 5.684 4.065 1.00 0.00 C ATOM 1463 NZ LYS A 116 18.712 5.943 4.915 1.00 0.00 N ATOM 0 H LYS A 116 13.459 2.553 7.663 1.00 0.00 H new ATOM 0 HA LYS A 116 13.915 3.814 5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.799 4.335 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 116 16.115 3.301 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.120 5.779 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 116 16.579 5.697 6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 116 17.328 3.742 4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.985 4.161 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.826 5.405 3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.918 6.591 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 19.409 6.495 4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.428 6.477 5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 19.135 5.038 5.203 1.00 0.00 H new ATOM 1477 N LEU A 117 15.041 1.966 3.820 1.00 0.00 N ATOM 1478 CA LEU A 117 15.746 0.869 3.096 1.00 0.00 C ATOM 1479 C LEU A 117 17.247 1.154 3.093 1.00 0.00 C ATOM 1480 O LEU A 117 17.676 2.279 2.927 1.00 0.00 O ATOM 1481 CB LEU A 117 15.249 0.772 1.647 1.00 0.00 C ATOM 1482 CG LEU A 117 13.725 0.569 1.604 1.00 0.00 C ATOM 1483 CD1 LEU A 117 13.288 0.354 0.149 1.00 0.00 C ATOM 1484 CD2 LEU A 117 13.322 -0.656 2.439 1.00 0.00 C ATOM 0 H LEU A 117 14.560 2.643 3.228 1.00 0.00 H new ATOM 0 HA LEU A 117 15.542 -0.075 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.515 1.680 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 117 15.745 -0.057 1.142 1.00 0.00 H new ATOM 0 HG LEU A 117 13.238 1.452 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.208 0.209 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.558 1.227 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 117 13.787 -0.527 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 117 12.240 -0.785 2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 117 13.809 -1.545 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.630 -0.508 3.474 1.00 0.00 H new ATOM 1496 N VAL A 118 18.046 0.136 3.285 1.00 0.00 N ATOM 1497 CA VAL A 118 19.528 0.317 3.306 1.00 0.00 C ATOM 1498 C VAL A 118 20.176 -0.768 2.442 1.00 0.00 C ATOM 1499 O VAL A 118 20.314 -1.903 2.853 1.00 0.00 O ATOM 1500 CB VAL A 118 20.011 0.191 4.756 1.00 0.00 C ATOM 1501 CG1 VAL A 118 21.536 0.123 4.797 1.00 0.00 C ATOM 1502 CG2 VAL A 118 19.538 1.405 5.557 1.00 0.00 C ATOM 0 H VAL A 118 17.731 -0.823 3.430 1.00 0.00 H new ATOM 0 HA VAL A 118 19.801 1.296 2.912 1.00 0.00 H new ATOM 0 HB VAL A 118 19.600 -0.721 5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.869 0.034 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 118 21.877 -0.743 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.953 1.030 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.881 1.317 6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 118 19.947 2.314 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.449 1.451 5.539 1.00 0.00 H new ATOM 1512 N GLN A 119 20.576 -0.427 1.246 1.00 0.00 N ATOM 1513 CA GLN A 119 21.216 -1.441 0.358 1.00 0.00 C ATOM 1514 C GLN A 119 22.413 -2.058 1.087 1.00 0.00 C ATOM 1515 O GLN A 119 23.241 -1.360 1.637 1.00 0.00 O ATOM 1516 CB GLN A 119 21.680 -0.766 -0.943 1.00 0.00 C ATOM 1517 CG GLN A 119 22.133 -1.827 -1.964 1.00 0.00 C ATOM 1518 CD GLN A 119 23.592 -2.205 -1.711 1.00 0.00 C ATOM 1519 OE1 GLN A 119 23.860 -3.269 -1.017 1.00 0.00 O flip ATOM 1520 NE2 GLN A 119 24.495 -1.522 -2.152 1.00 0.00 N flip ATOM 0 H GLN A 119 20.488 0.507 0.846 1.00 0.00 H new ATOM 0 HA GLN A 119 20.499 -2.225 0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 119 20.868 -0.172 -1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 119 22.501 -0.080 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 119 21.501 -2.712 -1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 119 22.019 -1.441 -2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 119 24.283 -0.686 -2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 119 25.465 -1.784 -1.977 1.00 0.00 H new ATOM 1529 N SER A 120 22.501 -3.366 1.109 1.00 0.00 N ATOM 1530 CA SER A 120 23.634 -4.041 1.819 1.00 0.00 C ATOM 1531 C SER A 120 24.139 -5.222 0.984 1.00 0.00 C ATOM 1532 O SER A 120 23.645 -5.493 -0.092 1.00 0.00 O ATOM 1533 CB SER A 120 23.135 -4.550 3.175 1.00 0.00 C ATOM 1534 OG SER A 120 23.125 -3.478 4.106 1.00 0.00 O ATOM 0 H SER A 120 21.835 -3.998 0.664 1.00 0.00 H new ATOM 0 HA SER A 120 24.450 -3.333 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 120 22.133 -4.967 3.073 1.00 0.00 H new ATOM 0 HB3 SER A 120 23.779 -5.352 3.534 1.00 0.00 H new ATOM 0 HG SER A 120 23.125 -2.625 3.623 1.00 0.00 H new ATOM 1540 N THR A 121 25.125 -5.924 1.487 1.00 0.00 N ATOM 1541 CA THR A 121 25.695 -7.098 0.752 1.00 0.00 C ATOM 1542 C THR A 121 25.528 -8.362 1.602 1.00 0.00 C ATOM 1543 O THR A 121 25.323 -8.302 2.803 1.00 0.00 O ATOM 1544 CB THR A 121 27.184 -6.854 0.496 1.00 0.00 C ATOM 1545 OG1 THR A 121 27.790 -6.350 1.678 1.00 0.00 O ATOM 1546 CG2 THR A 121 27.350 -5.839 -0.637 1.00 0.00 C ATOM 0 H THR A 121 25.565 -5.731 2.387 1.00 0.00 H new ATOM 0 HA THR A 121 25.173 -7.226 -0.196 1.00 0.00 H new ATOM 0 HB THR A 121 27.662 -7.792 0.213 1.00 0.00 H new ATOM 0 HG1 THR A 121 28.744 -6.195 1.516 1.00 0.00 H new ATOM 0 HG21 THR A 121 28.411 -5.666 -0.818 1.00 0.00 H new ATOM 0 HG22 THR A 121 26.885 -6.227 -1.544 1.00 0.00 H new ATOM 0 HG23 THR A 121 26.872 -4.900 -0.357 1.00 0.00 H new ATOM 1554 N LEU A 122 25.608 -9.509 0.988 1.00 0.00 N ATOM 1555 CA LEU A 122 25.445 -10.773 1.763 1.00 0.00 C ATOM 1556 C LEU A 122 26.444 -10.798 2.929 1.00 0.00 C ATOM 1557 O LEU A 122 26.148 -11.305 3.993 1.00 0.00 O ATOM 1558 CB LEU A 122 25.678 -11.985 0.848 1.00 0.00 C ATOM 1559 CG LEU A 122 25.302 -13.286 1.580 1.00 0.00 C ATOM 1560 CD1 LEU A 122 23.780 -13.356 1.816 1.00 0.00 C ATOM 1561 CD2 LEU A 122 25.736 -14.482 0.728 1.00 0.00 C ATOM 0 H LEU A 122 25.778 -9.627 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 122 24.431 -10.820 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 122 25.082 -11.885 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 122 26.723 -12.022 0.540 1.00 0.00 H new ATOM 0 HG LEU A 122 25.807 -13.306 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.534 -14.283 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.466 -12.507 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.262 -13.328 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 122 25.473 -15.408 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 122 25.230 -14.444 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 122 26.814 -14.446 0.574 1.00 0.00 H new ATOM 1573 N SER A 123 27.620 -10.250 2.749 1.00 0.00 N ATOM 1574 CA SER A 123 28.614 -10.247 3.860 1.00 0.00 C ATOM 1575 C SER A 123 27.973 -9.631 5.105 1.00 0.00 C ATOM 1576 O SER A 123 28.080 -10.158 6.195 1.00 0.00 O ATOM 1577 CB SER A 123 29.834 -9.419 3.451 1.00 0.00 C ATOM 1578 OG SER A 123 30.250 -9.801 2.148 1.00 0.00 O ATOM 0 H SER A 123 27.931 -9.807 1.884 1.00 0.00 H new ATOM 0 HA SER A 123 28.927 -11.269 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 123 29.589 -8.357 3.469 1.00 0.00 H new ATOM 0 HB3 SER A 123 30.645 -9.571 4.163 1.00 0.00 H new ATOM 0 HG SER A 123 31.030 -9.270 1.885 1.00 0.00 H new ATOM 1584 N ASP A 124 27.297 -8.523 4.953 1.00 0.00 N ATOM 1585 CA ASP A 124 26.643 -7.886 6.129 1.00 0.00 C ATOM 1586 C ASP A 124 25.723 -8.915 6.797 1.00 0.00 C ATOM 1587 O ASP A 124 25.673 -9.035 8.012 1.00 0.00 O ATOM 1588 CB ASP A 124 25.818 -6.681 5.664 1.00 0.00 C ATOM 1589 CG ASP A 124 25.009 -6.131 6.841 1.00 0.00 C ATOM 1590 OD1 ASP A 124 25.592 -5.935 7.895 1.00 0.00 O ATOM 1591 OD2 ASP A 124 23.821 -5.914 6.668 1.00 0.00 O ATOM 0 H ASP A 124 27.171 -8.034 4.067 1.00 0.00 H new ATOM 0 HA ASP A 124 27.398 -7.548 6.839 1.00 0.00 H new ATOM 0 HB2 ASP A 124 26.476 -5.907 5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 124 25.149 -6.975 4.855 1.00 0.00 H new ATOM 1596 N LEU A 125 24.992 -9.668 6.015 1.00 0.00 N ATOM 1597 CA LEU A 125 24.083 -10.681 6.620 1.00 0.00 C ATOM 1598 C LEU A 125 24.925 -11.719 7.379 1.00 0.00 C ATOM 1599 O LEU A 125 24.503 -12.246 8.386 1.00 0.00 O ATOM 1600 CB LEU A 125 23.224 -11.351 5.514 1.00 0.00 C ATOM 1601 CG LEU A 125 21.785 -11.592 6.012 1.00 0.00 C ATOM 1602 CD1 LEU A 125 21.042 -10.252 6.215 1.00 0.00 C ATOM 1603 CD2 LEU A 125 21.042 -12.444 4.979 1.00 0.00 C ATOM 0 H LEU A 125 24.986 -9.625 4.996 1.00 0.00 H new ATOM 0 HA LEU A 125 23.402 -10.201 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 125 23.206 -10.718 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 125 23.676 -12.298 5.220 1.00 0.00 H new ATOM 0 HG LEU A 125 21.821 -12.109 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 125 20.029 -10.447 6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 125 21.572 -9.650 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 125 21.000 -9.712 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 125 20.022 -12.622 5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 125 21.019 -11.920 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 125 21.555 -13.398 4.857 1.00 0.00 H new ATOM 1615 N ARG A 126 26.117 -12.002 6.920 1.00 0.00 N ATOM 1616 CA ARG A 126 26.980 -12.986 7.639 1.00 0.00 C ATOM 1617 C ARG A 126 27.311 -12.440 9.030 1.00 0.00 C ATOM 1618 O ARG A 126 27.426 -13.182 9.985 1.00 0.00 O ATOM 1619 CB ARG A 126 28.275 -13.189 6.844 1.00 0.00 C ATOM 1620 CG ARG A 126 29.070 -14.368 7.421 1.00 0.00 C ATOM 1621 CD ARG A 126 30.533 -14.270 6.979 1.00 0.00 C ATOM 1622 NE ARG A 126 31.211 -15.575 7.213 1.00 0.00 N ATOM 1623 CZ ARG A 126 31.580 -15.912 8.419 1.00 0.00 C ATOM 1624 NH1 ARG A 126 31.354 -15.105 9.419 1.00 0.00 N ATOM 1625 NH2 ARG A 126 32.174 -17.055 8.624 1.00 0.00 N ATOM 0 H ARG A 126 26.529 -11.595 6.080 1.00 0.00 H new ATOM 0 HA ARG A 126 26.459 -13.938 7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 126 28.042 -13.376 5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 126 28.878 -12.282 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 126 29.008 -14.363 8.509 1.00 0.00 H new ATOM 0 HG3 ARG A 126 28.640 -15.310 7.081 1.00 0.00 H new ATOM 0 HD2 ARG A 126 30.588 -14.004 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 126 31.040 -13.480 7.534 1.00 0.00 H new ATOM 0 HE ARG A 126 31.387 -16.206 6.431 1.00 0.00 H new ATOM 0 HH11 ARG A 126 30.889 -14.211 9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 126 31.642 -15.368 10.362 1.00 0.00 H new ATOM 0 HH21 ARG A 126 32.350 -17.686 7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 126 32.462 -17.318 9.566 1.00 0.00 H new ATOM 1639 N VAL A 127 27.454 -11.148 9.157 1.00 0.00 N ATOM 1640 CA VAL A 127 27.762 -10.566 10.490 1.00 0.00 C ATOM 1641 C VAL A 127 26.618 -10.906 11.447 1.00 0.00 C ATOM 1642 O VAL A 127 26.824 -11.122 12.625 1.00 0.00 O ATOM 1643 CB VAL A 127 27.895 -9.047 10.371 1.00 0.00 C ATOM 1644 CG1 VAL A 127 28.184 -8.455 11.751 1.00 0.00 C ATOM 1645 CG2 VAL A 127 29.049 -8.708 9.428 1.00 0.00 C ATOM 0 H VAL A 127 27.371 -10.474 8.396 1.00 0.00 H new ATOM 0 HA VAL A 127 28.699 -10.976 10.867 1.00 0.00 H new ATOM 0 HB VAL A 127 26.967 -8.631 9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 127 28.279 -7.372 11.670 1.00 0.00 H new ATOM 0 HG12 VAL A 127 27.366 -8.697 12.429 1.00 0.00 H new ATOM 0 HG13 VAL A 127 29.113 -8.873 12.139 1.00 0.00 H new ATOM 0 HG21 VAL A 127 29.144 -7.625 9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 127 29.976 -9.123 9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 127 28.852 -9.133 8.444 1.00 0.00 H new ATOM 1655 N TYR A 128 25.406 -10.952 10.947 1.00 0.00 N ATOM 1656 CA TYR A 128 24.242 -11.276 11.835 1.00 0.00 C ATOM 1657 C TYR A 128 23.988 -12.787 11.865 1.00 0.00 C ATOM 1658 O TYR A 128 23.793 -13.372 12.912 1.00 0.00 O ATOM 1659 CB TYR A 128 22.977 -10.599 11.303 1.00 0.00 C ATOM 1660 CG TYR A 128 23.113 -9.098 11.366 1.00 0.00 C ATOM 1661 CD1 TYR A 128 22.880 -8.422 12.570 1.00 0.00 C ATOM 1662 CD2 TYR A 128 23.454 -8.380 10.216 1.00 0.00 C ATOM 1663 CE1 TYR A 128 22.992 -7.028 12.622 1.00 0.00 C ATOM 1664 CE2 TYR A 128 23.565 -6.987 10.266 1.00 0.00 C ATOM 1665 CZ TYR A 128 23.335 -6.310 11.470 1.00 0.00 C ATOM 1666 OH TYR A 128 23.444 -4.935 11.520 1.00 0.00 O ATOM 0 H TYR A 128 25.172 -10.781 9.969 1.00 0.00 H new ATOM 0 HA TYR A 128 24.477 -10.919 12.838 1.00 0.00 H new ATOM 0 HB2 TYR A 128 22.796 -10.911 10.274 1.00 0.00 H new ATOM 0 HB3 TYR A 128 22.114 -10.917 11.888 1.00 0.00 H new ATOM 0 HD1 TYR A 128 22.614 -8.976 13.458 1.00 0.00 H new ATOM 0 HD2 TYR A 128 23.632 -8.902 9.287 1.00 0.00 H new ATOM 0 HE1 TYR A 128 22.814 -6.506 13.551 1.00 0.00 H new ATOM 0 HE2 TYR A 128 23.828 -6.434 9.377 1.00 0.00 H new ATOM 0 HH TYR A 128 23.690 -4.594 10.635 1.00 0.00 H new ATOM 1676 N LEU A 129 23.952 -13.412 10.715 1.00 0.00 N ATOM 1677 CA LEU A 129 23.670 -14.876 10.636 1.00 0.00 C ATOM 1678 C LEU A 129 24.863 -15.607 10.027 1.00 0.00 C ATOM 1679 O LEU A 129 24.705 -16.433 9.155 1.00 0.00 O ATOM 1680 CB LEU A 129 22.473 -15.083 9.716 1.00 0.00 C ATOM 1681 CG LEU A 129 21.234 -14.346 10.244 1.00 0.00 C ATOM 1682 CD1 LEU A 129 20.040 -14.682 9.339 1.00 0.00 C ATOM 1683 CD2 LEU A 129 20.927 -14.769 11.690 1.00 0.00 C ATOM 0 H LEU A 129 24.109 -12.961 9.814 1.00 0.00 H new ATOM 0 HA LEU A 129 23.475 -15.261 11.637 1.00 0.00 H new ATOM 0 HB2 LEU A 129 22.714 -14.725 8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 129 22.257 -16.148 9.630 1.00 0.00 H new ATOM 0 HG LEU A 129 21.422 -13.272 10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 129 19.152 -14.165 9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 129 20.255 -14.362 8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 129 19.865 -15.758 9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 129 20.046 -14.236 12.046 1.00 0.00 H new ATOM 0 HD22 LEU A 129 20.740 -15.842 11.723 1.00 0.00 H new ATOM 0 HD23 LEU A 129 21.778 -14.529 12.328 1.00 0.00 H new ATOM 1695 N GLY A 130 26.047 -15.309 10.464 1.00 0.00 N ATOM 1696 CA GLY A 130 27.246 -15.989 9.898 1.00 0.00 C ATOM 1697 C GLY A 130 27.212 -17.492 10.219 1.00 0.00 C ATOM 1698 O GLY A 130 28.230 -18.092 10.500 1.00 0.00 O ATOM 0 H GLY A 130 26.242 -14.621 11.192 1.00 0.00 H new ATOM 0 HA2 GLY A 130 27.279 -15.842 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 130 28.152 -15.544 10.309 1.00 0.00 H new ATOM 1702 N ALA A 131 26.057 -18.112 10.174 1.00 0.00 N ATOM 1703 CA ALA A 131 25.981 -19.572 10.469 1.00 0.00 C ATOM 1704 C ALA A 131 24.754 -20.171 9.772 1.00 0.00 C ATOM 1705 O ALA A 131 24.862 -21.111 9.011 1.00 0.00 O ATOM 1706 CB ALA A 131 25.877 -19.785 11.984 1.00 0.00 C ATOM 0 H ALA A 131 25.167 -17.669 9.946 1.00 0.00 H new ATOM 0 HA ALA A 131 26.880 -20.066 10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 131 25.821 -20.852 12.198 1.00 0.00 H new ATOM 0 HB2 ALA A 131 26.755 -19.362 12.472 1.00 0.00 H new ATOM 0 HB3 ALA A 131 24.980 -19.292 12.360 1.00 0.00 H new ATOM 1712 N SER A 132 23.586 -19.632 10.023 1.00 0.00 N ATOM 1713 CA SER A 132 22.348 -20.166 9.372 1.00 0.00 C ATOM 1714 C SER A 132 21.972 -19.272 8.189 1.00 0.00 C ATOM 1715 O SER A 132 20.810 -19.049 7.911 1.00 0.00 O ATOM 1716 CB SER A 132 21.204 -20.167 10.389 1.00 0.00 C ATOM 1717 OG SER A 132 21.427 -21.186 11.352 1.00 0.00 O ATOM 0 H SER A 132 23.436 -18.843 10.652 1.00 0.00 H new ATOM 0 HA SER A 132 22.528 -21.182 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 132 21.139 -19.196 10.880 1.00 0.00 H new ATOM 0 HB3 SER A 132 20.253 -20.332 9.882 1.00 0.00 H new ATOM 0 HG SER A 132 20.695 -21.186 12.004 1.00 0.00 H new ATOM 1723 N THR A 133 22.946 -18.751 7.495 1.00 0.00 N ATOM 1724 CA THR A 133 22.646 -17.861 6.336 1.00 0.00 C ATOM 1725 C THR A 133 22.149 -18.714 5.141 1.00 0.00 C ATOM 1726 O THR A 133 22.896 -19.519 4.621 1.00 0.00 O ATOM 1727 CB THR A 133 23.945 -17.118 5.930 1.00 0.00 C ATOM 1728 OG1 THR A 133 24.896 -17.238 6.974 1.00 0.00 O ATOM 1729 CG2 THR A 133 23.662 -15.632 5.673 1.00 0.00 C ATOM 0 H THR A 133 23.938 -18.903 7.680 1.00 0.00 H new ATOM 0 HA THR A 133 21.874 -17.143 6.611 1.00 0.00 H new ATOM 0 HB THR A 133 24.332 -17.564 5.014 1.00 0.00 H new ATOM 0 HG1 THR A 133 24.618 -16.686 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 133 24.587 -15.129 5.390 1.00 0.00 H new ATOM 0 HG22 THR A 133 22.934 -15.534 4.868 1.00 0.00 H new ATOM 0 HG23 THR A 133 23.264 -15.175 6.579 1.00 0.00 H new ATOM 1737 N PRO A 134 20.924 -18.543 4.684 1.00 0.00 N ATOM 1738 CA PRO A 134 20.409 -19.319 3.521 1.00 0.00 C ATOM 1739 C PRO A 134 20.973 -18.795 2.198 1.00 0.00 C ATOM 1740 O PRO A 134 21.758 -17.869 2.168 1.00 0.00 O ATOM 1741 CB PRO A 134 18.887 -19.124 3.585 1.00 0.00 C ATOM 1742 CG PRO A 134 18.687 -17.817 4.292 1.00 0.00 C ATOM 1743 CD PRO A 134 19.904 -17.614 5.209 1.00 0.00 C ATOM 0 HA PRO A 134 20.702 -20.368 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 134 18.451 -19.102 2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 134 18.408 -19.941 4.125 1.00 0.00 H new ATOM 0 HG2 PRO A 134 18.603 -17.000 3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 134 17.764 -17.829 4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 134 20.255 -16.582 5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 134 19.660 -17.839 6.247 1.00 0.00 H new ATOM 1751 N ASP A 135 20.569 -19.384 1.107 1.00 0.00 N ATOM 1752 CA ASP A 135 21.059 -18.939 -0.229 1.00 0.00 C ATOM 1753 C ASP A 135 19.974 -18.105 -0.898 1.00 0.00 C ATOM 1754 O ASP A 135 18.828 -18.497 -0.984 1.00 0.00 O ATOM 1755 CB ASP A 135 21.367 -20.161 -1.090 1.00 0.00 C ATOM 1756 CG ASP A 135 22.182 -19.735 -2.313 1.00 0.00 C ATOM 1757 OD1 ASP A 135 22.491 -18.559 -2.413 1.00 0.00 O ATOM 1758 OD2 ASP A 135 22.483 -20.591 -3.128 1.00 0.00 O ATOM 0 H ASP A 135 19.912 -20.164 1.083 1.00 0.00 H new ATOM 0 HA ASP A 135 21.965 -18.344 -0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 135 21.922 -20.897 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 135 20.440 -20.638 -1.407 1.00 0.00 H new ATOM 1763 N LEU A 136 20.336 -16.951 -1.359 1.00 0.00 N ATOM 1764 CA LEU A 136 19.344 -16.049 -2.020 1.00 0.00 C ATOM 1765 C LEU A 136 19.325 -16.299 -3.531 1.00 0.00 C ATOM 1766 O LEU A 136 20.352 -16.450 -4.162 1.00 0.00 O ATOM 1767 CB LEU A 136 19.734 -14.593 -1.756 1.00 0.00 C ATOM 1768 CG LEU A 136 19.711 -14.294 -0.252 1.00 0.00 C ATOM 1769 CD1 LEU A 136 20.148 -12.842 -0.033 1.00 0.00 C ATOM 1770 CD2 LEU A 136 18.294 -14.495 0.309 1.00 0.00 C ATOM 0 H LEU A 136 21.286 -16.582 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 136 18.353 -16.251 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 136 20.729 -14.399 -2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 136 19.046 -13.926 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 136 20.390 -14.973 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 136 20.136 -12.615 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 136 21.156 -12.703 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 136 19.463 -12.173 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 136 18.292 -14.279 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 136 17.603 -13.822 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 136 17.981 -15.526 0.146 1.00 0.00 H new ATOM 1782 N GLN A 137 18.148 -16.336 -4.108 1.00 0.00 N ATOM 1783 CA GLN A 137 18.011 -16.569 -5.581 1.00 0.00 C ATOM 1784 C GLN A 137 17.118 -15.480 -6.185 1.00 0.00 C ATOM 1785 O GLN A 137 17.479 -14.320 -6.080 1.00 0.00 O ATOM 1786 CB GLN A 137 17.371 -17.941 -5.813 1.00 0.00 C ATOM 1787 CG GLN A 137 17.991 -18.963 -4.858 1.00 0.00 C ATOM 1788 CD GLN A 137 19.514 -18.963 -5.030 1.00 0.00 C ATOM 1789 OE1 GLN A 137 20.285 -18.860 -3.980 1.00 0.00 O flip ATOM 1790 NE2 GLN A 137 20.009 -19.058 -6.135 1.00 0.00 N flip ATOM 1791 OXT GLN A 137 16.090 -15.826 -6.743 1.00 0.00 O ATOM 0 H GLN A 137 17.264 -16.213 -3.614 1.00 0.00 H new ATOM 0 HA GLN A 137 18.993 -16.537 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 137 16.295 -17.884 -5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 137 17.522 -18.254 -6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 137 17.730 -18.719 -3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 137 17.591 -19.956 -5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 137 19.410 -19.139 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 137 21.023 -19.057 -6.241 1.00 0.00 H new