USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 881 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 73 GLN : amide:sc= -2.92! C(o=-3!,f=-3.9!) USER MOD Set 1.2: A 74 GLN :FLIP amide:sc= -0.126 F(o=-3.7,f=-3) USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 65 SER OG : rot 180:sc= 0.415 USER MOD Set 3.1: A 51 THR OG1 : rot -13:sc= 0.372 USER MOD Set 3.2: A 53 LYS NZ :NH3+ 164:sc=-0.00918 (180deg=-0.191) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -43:sc= 0.135 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -67:sc= 0.455 USER MOD Single : A 36 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.34) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00705 K(o=-0.007,f=-1.4!) USER MOD Single : A 40 THR OG1 : rot 140:sc= -0.684 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.35! C(o=-2!,f=-1.3!) USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.0582 X(o=-0.058,f=-0.19) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -150:sc= -1.19 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -1.8! C(o=-1.8!,f=-3.4!) USER MOD Single : A 72 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-2.7!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.128 USER MOD Single : A 84 THR OG1 : rot -62:sc= -0.74! USER MOD Single : A 88 THR OG1 : rot 111:sc= 0.015 USER MOD Single : A 89 SER OG : rot -42:sc= 1.11 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.38) USER MOD Single : A 100 GLN :FLIP amide:sc= -2.12 F(o=-4.1!,f=-2.1) USER MOD Single : A 102 ASN :FLIP amide:sc= -5.07! C(o=-11!,f=-5.1!) USER MOD Single : A 103 ASN : amide:sc= -2.69! C(o=-2.7!,f=-11!) USER MOD Single : A 105 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.94) USER MOD Single : A 106 GLN : amide:sc= -0.7 X(o=-0.7,f=-0.93) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 TYR OH : rot 30:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.14) USER MOD Single : A 115 GLN :FLIP amide:sc= -0.519 F(o=-1.3,f=-0.52) USER MOD Single : A 127 SER OG : rot -44:sc= 0.00427 USER MOD Single : A 129 LYS NZ :NH3+ 173:sc= -4.03! (180deg=-4.28!) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 18 -1.921 16.207 -4.379 1.00 0.00 N ATOM 271 CA LYS A 18 -3.180 16.430 -5.145 1.00 0.00 C ATOM 272 C LYS A 18 -3.402 15.250 -6.085 1.00 0.00 C ATOM 273 O LYS A 18 -4.456 15.095 -6.675 1.00 0.00 O ATOM 274 CB LYS A 18 -3.078 17.730 -5.952 1.00 0.00 C ATOM 275 CG LYS A 18 -2.049 17.571 -7.074 1.00 0.00 C ATOM 276 CD LYS A 18 -1.727 18.944 -7.673 1.00 0.00 C ATOM 277 CE LYS A 18 -3.004 19.579 -8.233 1.00 0.00 C ATOM 278 NZ LYS A 18 -2.641 20.661 -9.192 1.00 0.00 N ATOM 0 HA LYS A 18 -4.020 16.513 -4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.051 17.983 -6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.790 18.552 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.141 17.110 -6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.438 16.908 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.293 19.591 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.984 18.841 -8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.610 18.823 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.607 19.985 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.507 21.093 -9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.080 21.386 -8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.082 20.260 -9.972 1.00 0.00 H new ATOM 292 N ASP A 19 -2.430 14.380 -6.180 1.00 0.00 N ATOM 293 CA ASP A 19 -2.600 13.168 -7.038 1.00 0.00 C ATOM 294 C ASP A 19 -3.141 12.056 -6.143 1.00 0.00 C ATOM 295 O ASP A 19 -4.029 11.308 -6.526 1.00 0.00 O ATOM 296 CB ASP A 19 -1.273 12.758 -7.677 1.00 0.00 C ATOM 297 CG ASP A 19 -1.475 11.484 -8.499 1.00 0.00 C ATOM 298 OD1 ASP A 19 -2.321 11.497 -9.379 1.00 0.00 O ATOM 299 OD2 ASP A 19 -0.780 10.516 -8.236 1.00 0.00 O ATOM 0 H ASP A 19 -1.531 14.455 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.291 13.373 -7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.901 13.560 -8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.522 12.590 -6.905 1.00 0.00 H new ATOM 304 N LEU A 20 -2.696 11.982 -4.919 1.00 0.00 N ATOM 305 CA LEU A 20 -3.287 10.963 -4.028 1.00 0.00 C ATOM 306 C LEU A 20 -4.714 11.433 -3.770 1.00 0.00 C ATOM 307 O LEU A 20 -5.580 10.671 -3.394 1.00 0.00 O ATOM 308 CB LEU A 20 -2.507 10.835 -2.710 1.00 0.00 C ATOM 309 CG LEU A 20 -1.005 10.983 -2.977 1.00 0.00 C ATOM 310 CD1 LEU A 20 -0.240 10.922 -1.654 1.00 0.00 C ATOM 311 CD2 LEU A 20 -0.537 9.848 -3.891 1.00 0.00 C ATOM 0 H LEU A 20 -1.968 12.569 -4.511 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.256 9.974 -4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.837 11.599 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.710 9.868 -2.249 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.815 11.942 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.828 11.027 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.573 11.731 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.429 9.964 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.531 9.952 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.728 8.890 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.080 9.893 -4.835 1.00 0.00 H new ATOM 323 N GLN A 21 -4.975 12.699 -4.012 1.00 0.00 N ATOM 324 CA GLN A 21 -6.352 13.219 -3.832 1.00 0.00 C ATOM 325 C GLN A 21 -7.205 12.577 -4.918 1.00 0.00 C ATOM 326 O GLN A 21 -8.294 12.103 -4.677 1.00 0.00 O ATOM 327 CB GLN A 21 -6.362 14.742 -3.992 1.00 0.00 C ATOM 328 CG GLN A 21 -7.730 15.290 -3.581 1.00 0.00 C ATOM 329 CD GLN A 21 -7.669 16.818 -3.508 1.00 0.00 C ATOM 330 OE1 GLN A 21 -7.476 17.379 -2.447 1.00 0.00 O ATOM 331 NE2 GLN A 21 -7.827 17.519 -4.597 1.00 0.00 N ATOM 0 H GLN A 21 -4.289 13.386 -4.325 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.735 12.984 -2.839 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.580 15.188 -3.377 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.147 15.011 -5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.488 14.980 -4.300 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.022 14.881 -2.614 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.989 17.048 -5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.789 18.538 -4.558 1.00 0.00 H new ATOM 340 N ALA A 22 -6.688 12.534 -6.121 1.00 0.00 N ATOM 341 CA ALA A 22 -7.433 11.880 -7.234 1.00 0.00 C ATOM 342 C ALA A 22 -7.913 10.514 -6.737 1.00 0.00 C ATOM 343 O ALA A 22 -8.943 10.001 -7.140 1.00 0.00 O ATOM 344 CB ALA A 22 -6.484 11.676 -8.417 1.00 0.00 C ATOM 0 H ALA A 22 -5.781 12.925 -6.378 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.277 12.494 -7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.021 11.198 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.102 12.642 -8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.651 11.043 -8.111 1.00 0.00 H new ATOM 350 N ILE A 23 -7.164 9.948 -5.824 1.00 0.00 N ATOM 351 CA ILE A 23 -7.534 8.629 -5.230 1.00 0.00 C ATOM 352 C ILE A 23 -8.427 8.897 -4.012 1.00 0.00 C ATOM 353 O ILE A 23 -9.265 8.087 -3.635 1.00 0.00 O ATOM 354 CB ILE A 23 -6.233 7.899 -4.821 1.00 0.00 C ATOM 355 CG1 ILE A 23 -5.627 7.211 -6.060 1.00 0.00 C ATOM 356 CG2 ILE A 23 -6.490 6.857 -3.704 1.00 0.00 C ATOM 357 CD1 ILE A 23 -5.498 8.228 -7.199 1.00 0.00 C ATOM 0 H ILE A 23 -6.300 10.351 -5.461 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.076 8.002 -5.937 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.534 8.636 -4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.649 6.796 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.258 6.378 -6.372 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.553 6.365 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.894 7.359 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.204 6.114 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.069 7.741 -8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.483 8.622 -7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.849 9.046 -6.885 1.00 0.00 H new ATOM 369 N LYS A 24 -8.330 10.070 -3.455 1.00 0.00 N ATOM 370 CA LYS A 24 -9.214 10.444 -2.330 1.00 0.00 C ATOM 371 C LYS A 24 -10.526 10.944 -2.927 1.00 0.00 C ATOM 372 O LYS A 24 -11.443 11.294 -2.209 1.00 0.00 O ATOM 373 CB LYS A 24 -8.575 11.531 -1.450 1.00 0.00 C ATOM 374 CG LYS A 24 -9.200 11.509 -0.050 1.00 0.00 C ATOM 375 CD LYS A 24 -8.602 12.634 0.797 1.00 0.00 C ATOM 376 CE LYS A 24 -9.277 12.653 2.170 1.00 0.00 C ATOM 377 NZ LYS A 24 -8.678 13.733 3.004 1.00 0.00 N ATOM 0 H LYS A 24 -7.666 10.791 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.384 9.579 -1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.500 11.367 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.719 12.511 -1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.281 11.629 -0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.017 10.545 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.528 12.487 0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.742 13.593 0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.349 12.818 2.058 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.153 11.688 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.137 13.746 3.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.660 13.557 3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.819 14.651 2.536 1.00 0.00 H new ATOM 391 N GLN A 25 -10.675 10.883 -4.230 1.00 0.00 N ATOM 392 CA GLN A 25 -11.980 11.268 -4.844 1.00 0.00 C ATOM 393 C GLN A 25 -12.735 9.944 -5.051 1.00 0.00 C ATOM 394 O GLN A 25 -13.783 9.693 -4.489 1.00 0.00 O ATOM 395 CB GLN A 25 -11.720 11.976 -6.198 1.00 0.00 C ATOM 396 CG GLN A 25 -12.519 13.285 -6.279 1.00 0.00 C ATOM 397 CD GLN A 25 -12.326 13.922 -7.655 1.00 0.00 C ATOM 398 OE1 GLN A 25 -12.931 13.504 -8.622 1.00 0.00 O ATOM 399 NE2 GLN A 25 -11.502 14.926 -7.786 1.00 0.00 N ATOM 0 H GLN A 25 -9.954 10.585 -4.887 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.553 11.956 -4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.656 12.185 -6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.003 11.318 -7.020 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.577 13.088 -6.104 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.189 13.972 -5.500 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.994 15.278 -6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.367 15.359 -8.700 1.00 0.00 H new ATOM 408 N GLU A 26 -12.160 9.102 -5.875 1.00 0.00 N ATOM 409 CA GLU A 26 -12.759 7.767 -6.176 1.00 0.00 C ATOM 410 C GLU A 26 -13.189 7.066 -4.873 1.00 0.00 C ATOM 411 O GLU A 26 -14.092 6.241 -4.871 1.00 0.00 O ATOM 412 CB GLU A 26 -11.721 6.910 -6.915 1.00 0.00 C ATOM 413 CG GLU A 26 -11.715 7.268 -8.406 1.00 0.00 C ATOM 414 CD GLU A 26 -11.511 8.775 -8.569 1.00 0.00 C ATOM 415 OE1 GLU A 26 -12.480 9.503 -8.429 1.00 0.00 O ATOM 416 OE2 GLU A 26 -10.389 9.176 -8.834 1.00 0.00 O ATOM 0 H GLU A 26 -11.283 9.289 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.642 7.899 -6.802 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.731 7.074 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.952 5.852 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.920 6.725 -8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.655 6.966 -8.867 1.00 0.00 H new ATOM 423 N VAL A 27 -12.650 7.454 -3.741 1.00 0.00 N ATOM 424 CA VAL A 27 -13.136 6.862 -2.455 1.00 0.00 C ATOM 425 C VAL A 27 -14.148 7.849 -1.892 1.00 0.00 C ATOM 426 O VAL A 27 -15.108 7.461 -1.257 1.00 0.00 O ATOM 427 CB VAL A 27 -11.999 6.658 -1.447 1.00 0.00 C ATOM 428 CG1 VAL A 27 -11.453 8.020 -1.016 1.00 0.00 C ATOM 429 CG2 VAL A 27 -12.524 5.906 -0.207 1.00 0.00 C ATOM 0 H VAL A 27 -11.905 8.145 -3.652 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.569 5.878 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.207 6.073 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.644 7.878 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.075 8.553 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.250 8.602 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.710 5.765 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.319 6.487 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.914 4.934 -0.509 1.00 0.00 H new ATOM 439 N SER A 28 -14.003 9.121 -2.181 1.00 0.00 N ATOM 440 CA SER A 28 -15.033 10.087 -1.720 1.00 0.00 C ATOM 441 C SER A 28 -16.104 10.073 -2.813 1.00 0.00 C ATOM 442 O SER A 28 -16.840 11.018 -3.018 1.00 0.00 O ATOM 443 CB SER A 28 -14.423 11.487 -1.614 1.00 0.00 C ATOM 444 OG SER A 28 -15.326 12.340 -0.924 1.00 0.00 O ATOM 0 H SER A 28 -13.227 9.521 -2.708 1.00 0.00 H new ATOM 0 HA SER A 28 -15.435 9.826 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.471 11.443 -1.086 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.218 11.883 -2.608 1.00 0.00 H new ATOM 0 HG SER A 28 -16.237 12.185 -1.251 1.00 0.00 H new ATOM 450 N GLN A 29 -16.140 8.981 -3.540 1.00 0.00 N ATOM 451 CA GLN A 29 -17.087 8.810 -4.677 1.00 0.00 C ATOM 452 C GLN A 29 -18.052 7.669 -4.377 1.00 0.00 C ATOM 453 O GLN A 29 -19.234 7.730 -4.654 1.00 0.00 O ATOM 454 CB GLN A 29 -16.270 8.400 -5.905 1.00 0.00 C ATOM 455 CG GLN A 29 -17.170 8.413 -7.143 1.00 0.00 C ATOM 456 CD GLN A 29 -16.371 7.949 -8.362 1.00 0.00 C ATOM 457 OE1 GLN A 29 -15.521 8.664 -8.854 1.00 0.00 O ATOM 458 NE2 GLN A 29 -16.608 6.772 -8.874 1.00 0.00 N ATOM 0 H GLN A 29 -15.530 8.179 -3.383 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.638 9.736 -4.839 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.433 9.084 -6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.848 7.406 -5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -18.029 7.760 -6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -17.560 9.417 -7.311 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.321 6.171 -8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.080 6.453 -9.686 1.00 0.00 H new ATOM 467 N ALA A 30 -17.518 6.605 -3.814 1.00 0.00 N ATOM 468 CA ALA A 30 -18.350 5.403 -3.481 1.00 0.00 C ATOM 469 C ALA A 30 -18.675 5.378 -1.993 1.00 0.00 C ATOM 470 O ALA A 30 -18.884 6.393 -1.359 1.00 0.00 O ATOM 471 CB ALA A 30 -17.563 4.133 -3.830 1.00 0.00 C ATOM 0 H ALA A 30 -16.531 6.520 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.277 5.449 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.163 3.255 -3.590 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.328 4.132 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.638 4.108 -3.254 1.00 0.00 H new ATOM 477 N ALA A 31 -18.689 4.204 -1.441 1.00 0.00 N ATOM 478 CA ALA A 31 -18.965 4.032 0.012 1.00 0.00 C ATOM 479 C ALA A 31 -17.612 4.070 0.745 1.00 0.00 C ATOM 480 O ALA A 31 -16.581 4.006 0.105 1.00 0.00 O ATOM 481 CB ALA A 31 -19.674 2.672 0.218 1.00 0.00 C ATOM 0 H ALA A 31 -18.517 3.334 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.611 4.819 0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -19.884 2.528 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -20.609 2.660 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.029 1.868 -0.136 1.00 0.00 H new ATOM 487 N PRO A 32 -17.632 4.170 2.054 1.00 0.00 N ATOM 488 CA PRO A 32 -16.379 4.211 2.827 1.00 0.00 C ATOM 489 C PRO A 32 -15.502 3.003 2.454 1.00 0.00 C ATOM 490 O PRO A 32 -15.525 1.978 3.107 1.00 0.00 O ATOM 491 CB PRO A 32 -16.825 4.180 4.309 1.00 0.00 C ATOM 492 CG PRO A 32 -18.382 4.239 4.329 1.00 0.00 C ATOM 493 CD PRO A 32 -18.869 4.246 2.862 1.00 0.00 C ATOM 0 HA PRO A 32 -15.775 5.096 2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.469 3.273 4.798 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -16.402 5.023 4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.791 3.382 4.864 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.725 5.133 4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -19.527 3.401 2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -19.434 5.151 2.637 1.00 0.00 H new ATOM 501 N GLY A 33 -14.731 3.122 1.396 1.00 0.00 N ATOM 502 CA GLY A 33 -13.847 1.993 0.960 1.00 0.00 C ATOM 503 C GLY A 33 -14.435 1.327 -0.283 1.00 0.00 C ATOM 504 O GLY A 33 -14.296 1.808 -1.389 1.00 0.00 O ATOM 0 H GLY A 33 -14.677 3.958 0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.845 2.365 0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.750 1.263 1.764 1.00 0.00 H new ATOM 508 N SER A 34 -15.114 0.235 -0.096 1.00 0.00 N ATOM 509 CA SER A 34 -15.751 -0.471 -1.239 1.00 0.00 C ATOM 510 C SER A 34 -14.692 -0.824 -2.298 1.00 0.00 C ATOM 511 O SER A 34 -13.544 -0.458 -2.142 1.00 0.00 O ATOM 512 CB SER A 34 -16.821 0.462 -1.815 1.00 0.00 C ATOM 513 OG SER A 34 -16.427 0.921 -3.103 1.00 0.00 O ATOM 0 H SER A 34 -15.257 -0.206 0.813 1.00 0.00 H new ATOM 0 HA SER A 34 -16.209 -1.406 -0.916 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.774 -0.063 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 34 -16.972 1.311 -1.148 1.00 0.00 H new ATOM 0 HG SER A 34 -15.641 1.500 -3.018 1.00 0.00 H new ATOM 519 N PRO A 35 -15.080 -1.540 -3.340 1.00 0.00 N ATOM 520 CA PRO A 35 -14.117 -1.935 -4.384 1.00 0.00 C ATOM 521 C PRO A 35 -13.721 -0.720 -5.257 1.00 0.00 C ATOM 522 O PRO A 35 -12.802 -0.788 -6.048 1.00 0.00 O ATOM 523 CB PRO A 35 -14.864 -3.000 -5.220 1.00 0.00 C ATOM 524 CG PRO A 35 -16.353 -2.985 -4.764 1.00 0.00 C ATOM 525 CD PRO A 35 -16.461 -2.024 -3.556 1.00 0.00 C ATOM 0 HA PRO A 35 -13.187 -2.320 -3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.786 -2.778 -6.284 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.425 -3.986 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.999 -2.653 -5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.679 -3.987 -4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.142 -1.199 -3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.844 -2.537 -2.674 1.00 0.00 H new ATOM 533 N GLN A 36 -14.427 0.378 -5.134 1.00 0.00 N ATOM 534 CA GLN A 36 -14.113 1.585 -5.971 1.00 0.00 C ATOM 535 C GLN A 36 -12.779 2.198 -5.543 1.00 0.00 C ATOM 536 O GLN A 36 -11.957 2.569 -6.357 1.00 0.00 O ATOM 537 CB GLN A 36 -15.218 2.626 -5.789 1.00 0.00 C ATOM 538 CG GLN A 36 -15.092 3.693 -6.880 1.00 0.00 C ATOM 539 CD GLN A 36 -15.523 3.102 -8.223 1.00 0.00 C ATOM 540 OE1 GLN A 36 -16.599 2.550 -8.341 1.00 0.00 O ATOM 541 NE2 GLN A 36 -14.722 3.194 -9.250 1.00 0.00 N ATOM 0 H GLN A 36 -15.209 0.493 -4.490 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.048 1.281 -7.016 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.196 2.148 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.142 3.086 -4.804 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -15.712 4.555 -6.634 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -14.063 4.047 -6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.818 3.657 -9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.000 2.803 -10.150 1.00 0.00 H new ATOM 550 N PHE A 37 -12.556 2.273 -4.268 1.00 0.00 N ATOM 551 CA PHE A 37 -11.280 2.818 -3.730 1.00 0.00 C ATOM 552 C PHE A 37 -10.180 1.790 -3.972 1.00 0.00 C ATOM 553 O PHE A 37 -9.010 2.049 -3.766 1.00 0.00 O ATOM 554 CB PHE A 37 -11.480 3.101 -2.244 1.00 0.00 C ATOM 555 CG PHE A 37 -10.170 3.382 -1.532 1.00 0.00 C ATOM 556 CD1 PHE A 37 -9.274 4.343 -2.027 1.00 0.00 C ATOM 557 CD2 PHE A 37 -9.864 2.693 -0.348 1.00 0.00 C ATOM 558 CE1 PHE A 37 -8.083 4.607 -1.341 1.00 0.00 C ATOM 559 CE2 PHE A 37 -8.673 2.957 0.332 1.00 0.00 C ATOM 560 CZ PHE A 37 -7.782 3.914 -0.164 1.00 0.00 C ATOM 0 H PHE A 37 -13.220 1.972 -3.555 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.990 3.746 -4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.146 3.955 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -11.970 2.247 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.504 4.878 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -10.552 1.956 0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.395 5.347 -1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.440 2.422 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.861 4.118 0.362 1.00 0.00 H new ATOM 570 N MET A 38 -10.543 0.650 -4.468 1.00 0.00 N ATOM 571 CA MET A 38 -9.527 -0.387 -4.797 1.00 0.00 C ATOM 572 C MET A 38 -9.123 -0.195 -6.263 1.00 0.00 C ATOM 573 O MET A 38 -8.006 -0.451 -6.652 1.00 0.00 O ATOM 574 CB MET A 38 -10.148 -1.779 -4.553 1.00 0.00 C ATOM 575 CG MET A 38 -10.300 -2.598 -5.850 1.00 0.00 C ATOM 576 SD MET A 38 -11.143 -4.157 -5.486 1.00 0.00 S ATOM 577 CE MET A 38 -11.528 -4.608 -7.195 1.00 0.00 C ATOM 0 H MET A 38 -11.508 0.385 -4.663 1.00 0.00 H new ATOM 0 HA MET A 38 -8.638 -0.301 -4.172 1.00 0.00 H new ATOM 0 HB2 MET A 38 -9.525 -2.332 -3.850 1.00 0.00 H new ATOM 0 HB3 MET A 38 -11.126 -1.659 -4.087 1.00 0.00 H new ATOM 0 HG2 MET A 38 -10.867 -2.029 -6.587 1.00 0.00 H new ATOM 0 HG3 MET A 38 -9.320 -2.795 -6.285 1.00 0.00 H new ATOM 0 HE1 MET A 38 -12.061 -5.559 -7.209 1.00 0.00 H new ATOM 0 HE2 MET A 38 -12.153 -3.835 -7.643 1.00 0.00 H new ATOM 0 HE3 MET A 38 -10.603 -4.702 -7.764 1.00 0.00 H new ATOM 587 N GLN A 39 -10.040 0.259 -7.061 1.00 0.00 N ATOM 588 CA GLN A 39 -9.752 0.482 -8.510 1.00 0.00 C ATOM 589 C GLN A 39 -8.775 1.647 -8.666 1.00 0.00 C ATOM 590 O GLN A 39 -7.839 1.605 -9.436 1.00 0.00 O ATOM 591 CB GLN A 39 -11.060 0.836 -9.221 1.00 0.00 C ATOM 592 CG GLN A 39 -10.836 0.826 -10.733 1.00 0.00 C ATOM 593 CD GLN A 39 -12.173 1.023 -11.450 1.00 0.00 C ATOM 594 OE1 GLN A 39 -13.211 0.661 -10.935 1.00 0.00 O ATOM 595 NE2 GLN A 39 -12.191 1.588 -12.627 1.00 0.00 N ATOM 0 H GLN A 39 -10.991 0.490 -6.773 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.316 -0.420 -8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.837 0.121 -8.953 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.407 1.818 -8.900 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -10.141 1.618 -11.013 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.384 -0.118 -11.038 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.319 1.892 -13.060 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.077 1.725 -13.113 1.00 0.00 H new ATOM 604 N THR A 40 -9.002 2.686 -7.920 1.00 0.00 N ATOM 605 CA THR A 40 -8.119 3.885 -7.967 1.00 0.00 C ATOM 606 C THR A 40 -6.821 3.575 -7.234 1.00 0.00 C ATOM 607 O THR A 40 -5.765 4.030 -7.629 1.00 0.00 O ATOM 608 CB THR A 40 -8.855 5.044 -7.307 1.00 0.00 C ATOM 609 OG1 THR A 40 -8.224 6.274 -7.630 1.00 0.00 O ATOM 610 CG2 THR A 40 -8.872 4.834 -5.787 1.00 0.00 C ATOM 0 H THR A 40 -9.779 2.759 -7.264 1.00 0.00 H new ATOM 0 HA THR A 40 -7.876 4.154 -8.995 1.00 0.00 H new ATOM 0 HB THR A 40 -9.880 5.079 -7.676 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.906 6.957 -7.799 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.398 5.662 -5.311 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.381 3.899 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.849 4.792 -5.414 1.00 0.00 H new ATOM 618 N ILE A 41 -6.852 2.782 -6.225 1.00 0.00 N ATOM 619 CA ILE A 41 -5.561 2.436 -5.558 1.00 0.00 C ATOM 620 C ILE A 41 -4.838 1.412 -6.445 1.00 0.00 C ATOM 621 O ILE A 41 -3.687 1.089 -6.231 1.00 0.00 O ATOM 622 CB ILE A 41 -5.827 1.861 -4.160 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.208 3.007 -3.195 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.591 1.109 -3.643 1.00 0.00 C ATOM 625 CD1 ILE A 41 -4.950 3.677 -2.602 1.00 0.00 C ATOM 0 H ILE A 41 -7.690 2.357 -5.827 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.940 3.323 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.654 1.153 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.804 3.750 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.830 2.616 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.798 0.708 -2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.352 0.291 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.745 1.794 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.249 4.479 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.369 2.937 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.343 4.088 -3.408 1.00 0.00 H new ATOM 637 N ARG A 42 -5.515 0.905 -7.440 1.00 0.00 N ATOM 638 CA ARG A 42 -4.889 -0.097 -8.353 1.00 0.00 C ATOM 639 C ARG A 42 -4.133 0.604 -9.480 1.00 0.00 C ATOM 640 O ARG A 42 -3.133 0.113 -9.969 1.00 0.00 O ATOM 641 CB ARG A 42 -5.978 -0.948 -8.989 1.00 0.00 C ATOM 642 CG ARG A 42 -5.345 -2.078 -9.805 1.00 0.00 C ATOM 643 CD ARG A 42 -6.447 -2.962 -10.390 1.00 0.00 C ATOM 644 NE ARG A 42 -5.839 -3.991 -11.279 1.00 0.00 N ATOM 645 CZ ARG A 42 -6.539 -5.027 -11.652 1.00 0.00 C ATOM 646 NH1 ARG A 42 -7.773 -5.161 -11.248 1.00 0.00 N ATOM 647 NH2 ARG A 42 -6.006 -5.929 -12.430 1.00 0.00 N ATOM 0 H ARG A 42 -6.482 1.143 -7.662 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.202 -0.709 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.625 -1.364 -8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.605 -0.331 -9.632 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.732 -1.664 -10.606 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.685 -2.672 -9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.006 -3.444 -9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.156 -2.354 -10.952 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.875 -3.886 -11.596 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.190 -4.456 -10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.320 -5.971 -11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.042 -5.824 -12.747 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.553 -6.739 -12.721 1.00 0.00 H new ATOM 661 N LEU A 43 -4.597 1.749 -9.902 1.00 0.00 N ATOM 662 CA LEU A 43 -3.906 2.474 -11.010 1.00 0.00 C ATOM 663 C LEU A 43 -2.909 3.458 -10.417 1.00 0.00 C ATOM 664 O LEU A 43 -2.019 3.932 -11.085 1.00 0.00 O ATOM 665 CB LEU A 43 -4.942 3.240 -11.842 1.00 0.00 C ATOM 666 CG LEU A 43 -5.753 2.262 -12.718 1.00 0.00 C ATOM 667 CD1 LEU A 43 -7.111 2.881 -13.062 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.000 1.963 -14.023 1.00 0.00 C ATOM 0 H LEU A 43 -5.424 2.215 -9.529 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.384 1.760 -11.647 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.613 3.791 -11.183 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.441 3.974 -12.473 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.895 1.336 -12.161 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.681 2.188 -13.681 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.661 3.084 -12.143 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.959 3.812 -13.607 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.585 1.272 -14.630 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.846 2.890 -14.575 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.034 1.514 -13.791 1.00 0.00 H new ATOM 680 N ALA A 44 -3.036 3.752 -9.158 1.00 0.00 N ATOM 681 CA ALA A 44 -2.071 4.702 -8.518 1.00 0.00 C ATOM 682 C ALA A 44 -0.913 3.911 -7.916 1.00 0.00 C ATOM 683 O ALA A 44 0.225 4.337 -7.974 1.00 0.00 O ATOM 684 CB ALA A 44 -2.777 5.528 -7.438 1.00 0.00 C ATOM 0 H ALA A 44 -3.759 3.382 -8.541 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.683 5.389 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.064 6.214 -6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.591 6.097 -7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.179 4.861 -6.675 1.00 0.00 H new ATOM 690 N VAL A 45 -1.164 2.764 -7.363 1.00 0.00 N ATOM 691 CA VAL A 45 -0.044 1.975 -6.795 1.00 0.00 C ATOM 692 C VAL A 45 0.677 1.249 -7.934 1.00 0.00 C ATOM 693 O VAL A 45 1.859 0.984 -7.859 1.00 0.00 O ATOM 694 CB VAL A 45 -0.587 0.958 -5.784 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.505 -0.051 -5.414 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.032 1.698 -4.521 1.00 0.00 C ATOM 0 H VAL A 45 -2.088 2.341 -7.280 1.00 0.00 H new ATOM 0 HA VAL A 45 0.654 2.637 -6.283 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.430 0.428 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.109 -0.769 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.832 -0.578 -6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.352 0.475 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.420 0.981 -3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.181 2.226 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.813 2.415 -4.775 1.00 0.00 H new ATOM 706 N GLN A 46 -0.008 0.938 -9.003 1.00 0.00 N ATOM 707 CA GLN A 46 0.667 0.234 -10.130 1.00 0.00 C ATOM 708 C GLN A 46 1.360 1.241 -11.050 1.00 0.00 C ATOM 709 O GLN A 46 2.260 0.891 -11.787 1.00 0.00 O ATOM 710 CB GLN A 46 -0.378 -0.544 -10.932 1.00 0.00 C ATOM 711 CG GLN A 46 0.313 -1.333 -12.046 1.00 0.00 C ATOM 712 CD GLN A 46 -0.714 -2.212 -12.763 1.00 0.00 C ATOM 713 OE1 GLN A 46 -1.465 -2.928 -12.131 1.00 0.00 O ATOM 714 NE2 GLN A 46 -0.778 -2.188 -14.066 1.00 0.00 N ATOM 0 H GLN A 46 -0.998 1.140 -9.143 1.00 0.00 H new ATOM 0 HA GLN A 46 1.415 -0.447 -9.725 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.923 -1.223 -10.276 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.109 0.143 -11.359 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.780 -0.649 -12.755 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.108 -1.951 -11.629 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.148 -1.587 -14.597 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.459 -2.770 -14.554 1.00 0.00 H new ATOM 723 N GLN A 47 0.946 2.484 -11.044 1.00 0.00 N ATOM 724 CA GLN A 47 1.593 3.476 -11.956 1.00 0.00 C ATOM 725 C GLN A 47 2.826 4.101 -11.304 1.00 0.00 C ATOM 726 O GLN A 47 3.937 3.943 -11.768 1.00 0.00 O ATOM 727 CB GLN A 47 0.593 4.593 -12.295 1.00 0.00 C ATOM 728 CG GLN A 47 -0.401 4.095 -13.353 1.00 0.00 C ATOM 729 CD GLN A 47 -1.431 5.188 -13.647 1.00 0.00 C ATOM 730 OE1 GLN A 47 -1.236 5.996 -14.653 1.00 0.00 O flip ATOM 731 NE2 GLN A 47 -2.422 5.309 -12.956 1.00 0.00 N flip ATOM 0 H GLN A 47 0.198 2.851 -10.455 1.00 0.00 H new ATOM 0 HA GLN A 47 1.900 2.952 -12.861 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.058 4.901 -11.396 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.124 5.470 -12.666 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.129 3.826 -14.267 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.903 3.194 -12.999 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.575 4.678 -12.169 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.101 6.042 -13.162 1.00 0.00 H new ATOM 740 N PHE A 48 2.627 4.844 -10.250 1.00 0.00 N ATOM 741 CA PHE A 48 3.774 5.524 -9.585 1.00 0.00 C ATOM 742 C PHE A 48 4.424 4.616 -8.542 1.00 0.00 C ATOM 743 O PHE A 48 5.385 5.014 -7.916 1.00 0.00 O ATOM 744 CB PHE A 48 3.272 6.794 -8.894 1.00 0.00 C ATOM 745 CG PHE A 48 2.528 7.653 -9.888 1.00 0.00 C ATOM 746 CD1 PHE A 48 1.165 7.435 -10.121 1.00 0.00 C ATOM 747 CD2 PHE A 48 3.202 8.670 -10.575 1.00 0.00 C ATOM 748 CE1 PHE A 48 0.476 8.233 -11.041 1.00 0.00 C ATOM 749 CE2 PHE A 48 2.512 9.469 -11.495 1.00 0.00 C ATOM 750 CZ PHE A 48 1.149 9.250 -11.729 1.00 0.00 C ATOM 0 H PHE A 48 1.717 5.010 -9.820 1.00 0.00 H new ATOM 0 HA PHE A 48 4.517 5.768 -10.345 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.617 6.533 -8.063 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.112 7.349 -8.476 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.645 6.651 -9.591 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.254 8.838 -10.395 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.576 8.064 -11.221 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.031 10.254 -12.024 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.617 9.865 -12.440 1.00 0.00 H new ATOM 760 N ASP A 49 3.931 3.403 -8.360 1.00 0.00 N ATOM 761 CA ASP A 49 4.548 2.467 -7.348 1.00 0.00 C ATOM 762 C ASP A 49 5.203 3.252 -6.189 1.00 0.00 C ATOM 763 O ASP A 49 6.411 3.363 -6.143 1.00 0.00 O ATOM 764 CB ASP A 49 5.624 1.619 -8.040 1.00 0.00 C ATOM 765 CG ASP A 49 6.341 2.467 -9.092 1.00 0.00 C ATOM 766 OD1 ASP A 49 5.889 2.477 -10.225 1.00 0.00 O ATOM 767 OD2 ASP A 49 7.330 3.092 -8.746 1.00 0.00 O ATOM 0 H ASP A 49 3.132 3.022 -8.866 1.00 0.00 H new ATOM 0 HA ASP A 49 3.760 1.834 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.340 1.250 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.169 0.746 -8.509 1.00 0.00 H new ATOM 772 N PRO A 50 4.403 3.788 -5.299 1.00 0.00 N ATOM 773 CA PRO A 50 4.932 4.571 -4.169 1.00 0.00 C ATOM 774 C PRO A 50 5.848 3.686 -3.309 1.00 0.00 C ATOM 775 O PRO A 50 5.652 2.491 -3.211 1.00 0.00 O ATOM 776 CB PRO A 50 3.677 5.035 -3.391 1.00 0.00 C ATOM 777 CG PRO A 50 2.430 4.565 -4.195 1.00 0.00 C ATOM 778 CD PRO A 50 2.934 3.658 -5.336 1.00 0.00 C ATOM 0 HA PRO A 50 5.537 5.423 -4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.669 4.610 -2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.675 6.119 -3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.739 4.022 -3.550 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.887 5.421 -4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.624 2.624 -5.185 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.533 3.974 -6.299 1.00 0.00 H new ATOM 786 N THR A 51 6.838 4.262 -2.680 1.00 0.00 N ATOM 787 CA THR A 51 7.744 3.439 -1.826 1.00 0.00 C ATOM 788 C THR A 51 6.966 3.007 -0.586 1.00 0.00 C ATOM 789 O THR A 51 5.781 3.254 -0.482 1.00 0.00 O ATOM 790 CB THR A 51 8.964 4.267 -1.409 1.00 0.00 C ATOM 791 OG1 THR A 51 8.543 5.361 -0.607 1.00 0.00 O ATOM 792 CG2 THR A 51 9.680 4.788 -2.656 1.00 0.00 C ATOM 0 H THR A 51 7.057 5.257 -2.719 1.00 0.00 H new ATOM 0 HA THR A 51 8.090 2.566 -2.379 1.00 0.00 H new ATOM 0 HB THR A 51 9.649 3.642 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.571 5.463 -0.678 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.548 5.377 -2.358 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.005 3.946 -3.267 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.998 5.413 -3.233 1.00 0.00 H new ATOM 800 N ALA A 52 7.598 2.373 0.363 1.00 0.00 N ATOM 801 CA ALA A 52 6.842 1.959 1.573 1.00 0.00 C ATOM 802 C ALA A 52 6.547 3.212 2.398 1.00 0.00 C ATOM 803 O ALA A 52 5.639 3.255 3.202 1.00 0.00 O ATOM 804 CB ALA A 52 7.686 0.982 2.391 1.00 0.00 C ATOM 0 H ALA A 52 8.588 2.128 0.353 1.00 0.00 H new ATOM 0 HA ALA A 52 5.911 1.467 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.132 0.678 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.914 0.104 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.615 1.467 2.691 1.00 0.00 H new ATOM 810 N LYS A 53 7.326 4.238 2.182 1.00 0.00 N ATOM 811 CA LYS A 53 7.134 5.518 2.919 1.00 0.00 C ATOM 812 C LYS A 53 5.683 5.964 2.785 1.00 0.00 C ATOM 813 O LYS A 53 4.957 6.056 3.755 1.00 0.00 O ATOM 814 CB LYS A 53 8.034 6.575 2.300 1.00 0.00 C ATOM 815 CG LYS A 53 9.495 6.138 2.429 1.00 0.00 C ATOM 816 CD LYS A 53 10.401 7.155 1.734 1.00 0.00 C ATOM 817 CE LYS A 53 11.853 6.682 1.820 1.00 0.00 C ATOM 818 NZ LYS A 53 12.057 5.532 0.895 1.00 0.00 N ATOM 0 H LYS A 53 8.098 4.242 1.516 1.00 0.00 H new ATOM 0 HA LYS A 53 7.380 5.381 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.777 6.718 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.884 7.533 2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.768 6.053 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.630 5.152 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.105 7.270 0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.297 8.133 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.528 7.497 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.090 6.387 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.075 5.384 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.640 4.675 1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.599 5.734 -0.016 1.00 0.00 H new ATOM 832 N ASP A 54 5.244 6.201 1.576 1.00 0.00 N ATOM 833 CA ASP A 54 3.826 6.594 1.338 1.00 0.00 C ATOM 834 C ASP A 54 2.918 5.701 2.186 1.00 0.00 C ATOM 835 O ASP A 54 2.082 6.181 2.926 1.00 0.00 O ATOM 836 CB ASP A 54 3.500 6.402 -0.163 1.00 0.00 C ATOM 837 CG ASP A 54 4.793 6.463 -0.988 1.00 0.00 C ATOM 838 OD1 ASP A 54 5.624 5.588 -0.814 1.00 0.00 O ATOM 839 OD2 ASP A 54 4.928 7.383 -1.777 1.00 0.00 O ATOM 0 H ASP A 54 5.816 6.138 0.734 1.00 0.00 H new ATOM 0 HA ASP A 54 3.668 7.637 1.613 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.004 5.444 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.808 7.176 -0.496 1.00 0.00 H new ATOM 844 N LEU A 55 3.068 4.415 2.089 1.00 0.00 N ATOM 845 CA LEU A 55 2.197 3.517 2.901 1.00 0.00 C ATOM 846 C LEU A 55 2.218 3.986 4.360 1.00 0.00 C ATOM 847 O LEU A 55 1.282 3.776 5.105 1.00 0.00 O ATOM 848 CB LEU A 55 2.708 2.069 2.799 1.00 0.00 C ATOM 849 CG LEU A 55 1.712 1.084 3.477 1.00 0.00 C ATOM 850 CD1 LEU A 55 1.635 -0.222 2.675 1.00 0.00 C ATOM 851 CD2 LEU A 55 2.178 0.753 4.903 1.00 0.00 C ATOM 0 H LEU A 55 3.748 3.946 1.490 1.00 0.00 H new ATOM 0 HA LEU A 55 1.174 3.553 2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.839 1.798 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.686 1.989 3.274 1.00 0.00 H new ATOM 0 HG LEU A 55 0.732 1.560 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.936 -0.905 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.293 -0.008 1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.622 -0.683 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.472 0.063 5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.165 0.291 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.228 1.669 5.491 1.00 0.00 H new ATOM 863 N GLN A 56 3.282 4.625 4.769 1.00 0.00 N ATOM 864 CA GLN A 56 3.371 5.111 6.175 1.00 0.00 C ATOM 865 C GLN A 56 2.363 6.242 6.407 1.00 0.00 C ATOM 866 O GLN A 56 1.478 6.136 7.233 1.00 0.00 O ATOM 867 CB GLN A 56 4.790 5.629 6.448 1.00 0.00 C ATOM 868 CG GLN A 56 5.034 5.694 7.958 1.00 0.00 C ATOM 869 CD GLN A 56 6.366 6.396 8.230 1.00 0.00 C ATOM 870 OE1 GLN A 56 7.347 6.258 7.381 1.00 0.00 O flip ATOM 871 NE2 GLN A 56 6.515 7.077 9.225 1.00 0.00 N flip ATOM 0 H GLN A 56 4.094 4.831 4.188 1.00 0.00 H new ATOM 0 HA GLN A 56 3.143 4.287 6.851 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.523 4.973 5.979 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.918 6.617 6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.221 6.232 8.446 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.048 4.688 8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.748 7.185 9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.407 7.541 9.397 1.00 0.00 H new ATOM 880 N ASP A 57 2.499 7.330 5.697 1.00 0.00 N ATOM 881 CA ASP A 57 1.560 8.478 5.891 1.00 0.00 C ATOM 882 C ASP A 57 0.335 8.336 4.981 1.00 0.00 C ATOM 883 O ASP A 57 -0.617 9.075 5.107 1.00 0.00 O ATOM 884 CB ASP A 57 2.285 9.787 5.574 1.00 0.00 C ATOM 885 CG ASP A 57 3.217 10.149 6.733 1.00 0.00 C ATOM 886 OD1 ASP A 57 3.750 9.238 7.345 1.00 0.00 O ATOM 887 OD2 ASP A 57 3.381 11.330 6.990 1.00 0.00 O ATOM 0 H ASP A 57 3.220 7.475 4.990 1.00 0.00 H new ATOM 0 HA ASP A 57 1.223 8.483 6.928 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.857 9.684 4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.561 10.586 5.412 1.00 0.00 H new ATOM 892 N LEU A 58 0.320 7.386 4.091 1.00 0.00 N ATOM 893 CA LEU A 58 -0.884 7.213 3.220 1.00 0.00 C ATOM 894 C LEU A 58 -1.849 6.267 3.927 1.00 0.00 C ATOM 895 O LEU A 58 -3.050 6.345 3.751 1.00 0.00 O ATOM 896 CB LEU A 58 -0.470 6.634 1.856 1.00 0.00 C ATOM 897 CG LEU A 58 -1.704 6.504 0.917 1.00 0.00 C ATOM 898 CD1 LEU A 58 -1.298 6.814 -0.528 1.00 0.00 C ATOM 899 CD2 LEU A 58 -2.276 5.077 0.963 1.00 0.00 C ATOM 0 H LEU A 58 1.079 6.725 3.926 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.366 8.175 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.279 7.278 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.008 5.657 1.995 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.460 7.211 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.168 6.721 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.909 7.830 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.528 6.112 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.138 5.009 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.513 4.369 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.583 4.841 1.982 1.00 0.00 H new ATOM 911 N LEU A 59 -1.341 5.393 4.748 1.00 0.00 N ATOM 912 CA LEU A 59 -2.228 4.451 5.491 1.00 0.00 C ATOM 913 C LEU A 59 -2.550 5.034 6.871 1.00 0.00 C ATOM 914 O LEU A 59 -3.513 4.654 7.497 1.00 0.00 O ATOM 915 CB LEU A 59 -1.512 3.104 5.653 1.00 0.00 C ATOM 916 CG LEU A 59 -2.517 2.012 6.077 1.00 0.00 C ATOM 917 CD1 LEU A 59 -3.234 1.438 4.847 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.771 0.877 6.787 1.00 0.00 C ATOM 0 H LEU A 59 -0.344 5.288 4.939 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.155 4.305 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.034 2.823 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.723 3.191 6.400 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.251 2.458 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.939 0.669 5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.772 2.235 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.501 1.001 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.481 0.106 7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.033 0.447 6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.268 1.269 7.671 1.00 0.00 H new ATOM 930 N GLN A 60 -1.746 5.933 7.367 1.00 0.00 N ATOM 931 CA GLN A 60 -2.015 6.509 8.723 1.00 0.00 C ATOM 932 C GLN A 60 -2.878 7.773 8.622 1.00 0.00 C ATOM 933 O GLN A 60 -3.563 8.126 9.562 1.00 0.00 O ATOM 934 CB GLN A 60 -0.677 6.858 9.383 1.00 0.00 C ATOM 935 CG GLN A 60 0.009 5.573 9.864 1.00 0.00 C ATOM 936 CD GLN A 60 -0.655 5.088 11.154 1.00 0.00 C ATOM 937 OE1 GLN A 60 -0.728 5.815 12.125 1.00 0.00 O ATOM 938 NE2 GLN A 60 -1.146 3.880 11.206 1.00 0.00 N ATOM 0 H GLN A 60 -0.916 6.295 6.897 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.555 5.773 9.319 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.036 7.381 8.674 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.839 7.532 10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.060 4.803 9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.069 5.758 10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.085 3.269 10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.591 3.547 12.061 1.00 0.00 H new ATOM 947 N TYR A 61 -2.866 8.456 7.499 1.00 0.00 N ATOM 948 CA TYR A 61 -3.705 9.695 7.359 1.00 0.00 C ATOM 949 C TYR A 61 -4.922 9.393 6.483 1.00 0.00 C ATOM 950 O TYR A 61 -6.024 9.807 6.783 1.00 0.00 O ATOM 951 CB TYR A 61 -2.881 10.819 6.716 1.00 0.00 C ATOM 952 CG TYR A 61 -1.945 11.416 7.744 1.00 0.00 C ATOM 953 CD1 TYR A 61 -2.436 12.327 8.687 1.00 0.00 C ATOM 954 CD2 TYR A 61 -0.591 11.060 7.754 1.00 0.00 C ATOM 955 CE1 TYR A 61 -1.573 12.882 9.640 1.00 0.00 C ATOM 956 CE2 TYR A 61 0.271 11.614 8.707 1.00 0.00 C ATOM 957 CZ TYR A 61 -0.219 12.525 9.650 1.00 0.00 C ATOM 958 OH TYR A 61 0.632 13.072 10.589 1.00 0.00 O ATOM 0 H TYR A 61 -2.315 8.211 6.676 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.035 10.014 8.348 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.310 10.429 5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -3.544 11.590 6.322 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.480 12.602 8.679 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.212 10.358 7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.952 13.585 10.367 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.315 11.338 8.715 1.00 0.00 H new ATOM 0 HH TYR A 61 1.536 12.718 10.457 1.00 0.00 H new ATOM 968 N LEU A 62 -4.745 8.676 5.404 1.00 0.00 N ATOM 969 CA LEU A 62 -5.917 8.368 4.538 1.00 0.00 C ATOM 970 C LEU A 62 -6.829 7.383 5.277 1.00 0.00 C ATOM 971 O LEU A 62 -8.029 7.390 5.086 1.00 0.00 O ATOM 972 CB LEU A 62 -5.445 7.790 3.189 1.00 0.00 C ATOM 973 CG LEU A 62 -6.407 8.214 2.057 1.00 0.00 C ATOM 974 CD1 LEU A 62 -6.049 9.620 1.559 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.294 7.230 0.889 1.00 0.00 C ATOM 0 H LEU A 62 -3.852 8.296 5.090 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.476 9.279 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.437 8.140 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.399 6.703 3.248 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.425 8.214 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.733 9.909 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.131 10.330 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.027 9.622 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.974 7.532 0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.271 7.228 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.557 6.229 1.230 1.00 0.00 H new ATOM 987 N CYS A 63 -6.284 6.575 6.157 1.00 0.00 N ATOM 988 CA CYS A 63 -7.139 5.635 6.952 1.00 0.00 C ATOM 989 C CYS A 63 -7.207 6.202 8.371 1.00 0.00 C ATOM 990 O CYS A 63 -7.366 7.392 8.558 1.00 0.00 O ATOM 991 CB CYS A 63 -6.506 4.236 6.976 1.00 0.00 C ATOM 992 SG CYS A 63 -5.770 3.882 5.362 1.00 0.00 S ATOM 0 H CYS A 63 -5.285 6.526 6.359 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.133 5.543 6.514 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.745 4.182 7.755 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.261 3.487 7.216 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.810 2.602 5.138 1.00 0.00 H new ATOM 998 N SER A 64 -7.060 5.383 9.374 1.00 0.00 N ATOM 999 CA SER A 64 -7.089 5.924 10.763 1.00 0.00 C ATOM 1000 C SER A 64 -6.484 4.909 11.732 1.00 0.00 C ATOM 1001 O SER A 64 -5.535 5.201 12.433 1.00 0.00 O ATOM 1002 CB SER A 64 -8.526 6.229 11.162 1.00 0.00 C ATOM 1003 OG SER A 64 -8.626 6.261 12.579 1.00 0.00 O ATOM 0 H SER A 64 -6.923 4.375 9.296 1.00 0.00 H new ATOM 0 HA SER A 64 -6.502 6.842 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.836 7.186 10.743 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.196 5.471 10.756 1.00 0.00 H new ATOM 0 HG SER A 64 -9.550 6.459 12.837 1.00 0.00 H new ATOM 1009 N SER A 65 -7.020 3.723 11.788 1.00 0.00 N ATOM 1010 CA SER A 65 -6.460 2.710 12.727 1.00 0.00 C ATOM 1011 C SER A 65 -6.979 1.315 12.374 1.00 0.00 C ATOM 1012 O SER A 65 -6.256 0.491 11.850 1.00 0.00 O ATOM 1013 CB SER A 65 -6.876 3.058 14.156 1.00 0.00 C ATOM 1014 OG SER A 65 -8.289 3.198 14.213 1.00 0.00 O ATOM 0 H SER A 65 -7.815 3.412 11.230 1.00 0.00 H new ATOM 0 HA SER A 65 -5.373 2.715 12.645 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.548 2.277 14.843 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.394 3.983 14.472 1.00 0.00 H new ATOM 0 HG SER A 65 -8.559 3.420 15.129 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.221 1.037 12.670 1.00 0.00 N ATOM 1021 CA LEU A 66 -8.787 -0.309 12.370 1.00 0.00 C ATOM 1022 C LEU A 66 -8.365 -0.775 10.969 1.00 0.00 C ATOM 1023 O LEU A 66 -7.631 -1.731 10.833 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.323 -0.231 12.455 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.926 -1.606 12.809 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -10.407 -2.668 11.833 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -10.565 -2.005 14.258 1.00 0.00 C ATOM 0 H LEU A 66 -8.871 1.689 13.109 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.408 -1.028 13.096 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.613 0.502 13.208 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.727 0.113 11.503 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.011 -1.539 12.729 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.836 -3.637 12.088 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.695 -2.400 10.817 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.320 -2.724 11.900 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.000 -2.978 14.487 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.481 -2.059 14.361 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.959 -1.260 14.949 1.00 0.00 H new ATOM 1039 N VAL A 67 -8.883 -0.149 9.935 1.00 0.00 N ATOM 1040 CA VAL A 67 -8.577 -0.589 8.530 1.00 0.00 C ATOM 1041 C VAL A 67 -7.142 -1.134 8.429 1.00 0.00 C ATOM 1042 O VAL A 67 -6.916 -2.283 8.105 1.00 0.00 O ATOM 1043 CB VAL A 67 -8.746 0.593 7.574 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -8.483 0.132 6.139 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -10.173 1.134 7.681 1.00 0.00 C ATOM 0 H VAL A 67 -9.509 0.653 10.004 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.270 -1.385 8.257 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.037 1.378 7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.604 0.975 5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.467 -0.255 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.191 -0.653 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.295 1.976 7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.881 0.348 7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.362 1.463 8.703 1.00 0.00 H new ATOM 1055 N ALA A 68 -6.178 -0.303 8.737 1.00 0.00 N ATOM 1056 CA ALA A 68 -4.746 -0.725 8.704 1.00 0.00 C ATOM 1057 C ALA A 68 -4.543 -1.953 9.591 1.00 0.00 C ATOM 1058 O ALA A 68 -3.745 -2.821 9.297 1.00 0.00 O ATOM 1059 CB ALA A 68 -3.890 0.418 9.256 1.00 0.00 C ATOM 0 H ALA A 68 -6.327 0.667 9.015 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.462 -0.965 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.840 0.127 9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.030 1.307 8.641 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.190 0.635 10.281 1.00 0.00 H new ATOM 1065 N SER A 69 -5.250 -2.024 10.680 1.00 0.00 N ATOM 1066 CA SER A 69 -5.099 -3.180 11.604 1.00 0.00 C ATOM 1067 C SER A 69 -5.220 -4.497 10.838 1.00 0.00 C ATOM 1068 O SER A 69 -4.287 -5.275 10.766 1.00 0.00 O ATOM 1069 CB SER A 69 -6.194 -3.113 12.674 1.00 0.00 C ATOM 1070 OG SER A 69 -5.794 -3.882 13.801 1.00 0.00 O ATOM 0 H SER A 69 -5.932 -1.325 10.973 1.00 0.00 H new ATOM 0 HA SER A 69 -4.115 -3.135 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.369 -2.078 12.968 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.134 -3.494 12.274 1.00 0.00 H new ATOM 0 HG SER A 69 -6.491 -3.841 14.489 1.00 0.00 H new ATOM 1076 N LEU A 70 -6.372 -4.768 10.279 1.00 0.00 N ATOM 1077 CA LEU A 70 -6.562 -6.048 9.541 1.00 0.00 C ATOM 1078 C LEU A 70 -6.115 -5.926 8.076 1.00 0.00 C ATOM 1079 O LEU A 70 -5.764 -6.922 7.473 1.00 0.00 O ATOM 1080 CB LEU A 70 -8.019 -6.518 9.630 1.00 0.00 C ATOM 1081 CG LEU A 70 -8.283 -7.139 11.005 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -8.179 -6.063 12.091 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -9.687 -7.748 11.022 1.00 0.00 C ATOM 0 H LEU A 70 -7.188 -4.156 10.303 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.931 -6.799 10.016 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.692 -5.677 9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.223 -7.248 8.846 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.543 -7.915 11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.368 -6.511 13.066 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.179 -5.629 12.079 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.916 -5.282 11.902 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.879 -8.191 11.999 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.424 -6.969 10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.759 -8.518 10.254 1.00 0.00 H new ATOM 1095 N HIS A 71 -6.126 -4.775 7.467 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.699 -4.740 6.039 1.00 0.00 C ATOM 1097 C HIS A 71 -4.287 -5.384 5.937 1.00 0.00 C ATOM 1098 O HIS A 71 -4.023 -6.359 5.216 1.00 0.00 O ATOM 1099 CB HIS A 71 -5.673 -3.271 5.571 1.00 0.00 C ATOM 1100 CG HIS A 71 -4.755 -3.096 4.388 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -3.917 -1.999 4.264 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -4.530 -3.867 3.277 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -3.231 -2.140 3.116 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -3.567 -3.262 2.474 1.00 0.00 N ATOM 0 H HIS A 71 -6.402 -3.883 7.877 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.388 -5.296 5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.681 -2.953 5.304 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.343 -2.631 6.389 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.025 -4.802 3.058 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.498 -1.433 2.757 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -3.198 -3.602 1.586 1.00 0.00 H new ATOM 1112 N HIS A 72 -3.360 -4.814 6.674 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.973 -5.333 6.652 1.00 0.00 C ATOM 1114 C HIS A 72 -1.981 -6.755 7.200 1.00 0.00 C ATOM 1115 O HIS A 72 -1.340 -7.625 6.651 1.00 0.00 O ATOM 1116 CB HIS A 72 -1.058 -4.428 7.486 1.00 0.00 C ATOM 1117 CG HIS A 72 0.278 -5.092 7.685 1.00 0.00 C ATOM 1118 ND1 HIS A 72 0.996 -5.637 6.633 1.00 0.00 N ATOM 1119 CD2 HIS A 72 1.034 -5.313 8.809 1.00 0.00 C ATOM 1120 CE1 HIS A 72 2.128 -6.157 7.141 1.00 0.00 C ATOM 1121 NE2 HIS A 72 2.202 -5.986 8.463 1.00 0.00 N ATOM 0 H HIS A 72 -3.514 -4.013 7.286 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.590 -5.341 5.632 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.926 -3.469 6.985 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.519 -4.222 8.452 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.764 -5.011 9.810 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.885 -6.653 6.551 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.953 -6.284 9.085 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.706 -7.007 8.279 1.00 0.00 N ATOM 1130 CA GLN A 73 -2.759 -8.400 8.844 1.00 0.00 C ATOM 1131 C GLN A 73 -2.739 -9.374 7.673 1.00 0.00 C ATOM 1132 O GLN A 73 -2.010 -10.340 7.667 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.027 -8.580 9.666 1.00 0.00 C ATOM 1134 CG GLN A 73 -4.003 -9.911 10.411 1.00 0.00 C ATOM 1135 CD GLN A 73 -4.247 -11.061 9.431 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -3.375 -11.875 9.203 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -5.406 -11.163 8.839 1.00 0.00 N ATOM 0 H GLN A 73 -3.256 -6.313 8.785 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.908 -8.583 9.500 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.124 -7.761 10.378 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.899 -8.539 9.013 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.042 -10.043 10.907 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.767 -9.916 11.189 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.138 -10.479 9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.579 -11.926 8.185 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.515 -9.105 6.648 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.479 -9.999 5.461 1.00 0.00 C ATOM 1148 C GLN A 74 -2.003 -10.129 5.095 1.00 0.00 C ATOM 1149 O GLN A 74 -1.360 -11.119 5.380 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.226 -9.333 4.309 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.680 -9.084 4.718 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.405 -10.424 4.865 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -6.688 -10.872 6.058 1.00 0.00 O flip ATOM 1154 NE2 GLN A 74 -6.717 -11.070 3.884 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.160 -8.317 6.588 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.939 -10.967 5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.745 -8.391 4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.190 -9.967 3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.715 -8.534 5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.179 -8.468 3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -6.496 -10.720 2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.200 -11.962 3.993 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.444 -9.056 4.541 1.00 0.00 N ATOM 1164 CA LEU A 75 0.033 -9.010 4.229 1.00 0.00 C ATOM 1165 C LEU A 75 0.839 -9.728 5.319 1.00 0.00 C ATOM 1166 O LEU A 75 1.478 -10.720 5.034 1.00 0.00 O ATOM 1167 CB LEU A 75 0.468 -7.524 4.170 1.00 0.00 C ATOM 1168 CG LEU A 75 0.328 -6.980 2.728 1.00 0.00 C ATOM 1169 CD1 LEU A 75 0.132 -5.461 2.761 1.00 0.00 C ATOM 1170 CD2 LEU A 75 1.593 -7.297 1.917 1.00 0.00 C ATOM 0 H LEU A 75 -1.956 -8.209 4.293 1.00 0.00 H new ATOM 0 HA LEU A 75 0.219 -9.508 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.144 -6.932 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.501 -7.427 4.504 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.535 -7.456 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.034 -5.085 1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.770 -5.223 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.992 -4.993 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.483 -6.909 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.456 -6.831 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.739 -8.376 1.878 1.00 0.00 H new ATOM 1182 N ASP A 76 0.826 -9.238 6.542 1.00 0.00 N ATOM 1183 CA ASP A 76 1.600 -9.889 7.664 1.00 0.00 C ATOM 1184 C ASP A 76 1.904 -11.357 7.359 1.00 0.00 C ATOM 1185 O ASP A 76 3.034 -11.771 7.158 1.00 0.00 O ATOM 1186 CB ASP A 76 0.720 -9.862 8.921 1.00 0.00 C ATOM 1187 CG ASP A 76 1.560 -10.254 10.141 1.00 0.00 C ATOM 1188 OD1 ASP A 76 2.617 -9.670 10.319 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.132 -11.130 10.873 1.00 0.00 O ATOM 0 H ASP A 76 0.306 -8.404 6.816 1.00 0.00 H new ATOM 0 HA ASP A 76 2.538 -9.349 7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.298 -8.867 9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.118 -10.550 8.806 1.00 0.00 H new ATOM 1194 N SER A 77 0.858 -12.137 7.328 1.00 0.00 N ATOM 1195 CA SER A 77 0.976 -13.584 7.054 1.00 0.00 C ATOM 1196 C SER A 77 1.054 -13.842 5.553 1.00 0.00 C ATOM 1197 O SER A 77 1.658 -14.806 5.126 1.00 0.00 O ATOM 1198 CB SER A 77 -0.268 -14.276 7.591 1.00 0.00 C ATOM 1199 OG SER A 77 -0.250 -14.243 9.013 1.00 0.00 O ATOM 0 H SER A 77 -0.097 -11.815 7.487 1.00 0.00 H new ATOM 0 HA SER A 77 1.880 -13.964 7.530 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.164 -13.781 7.216 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.304 -15.308 7.241 1.00 0.00 H new ATOM 0 HG SER A 77 -1.052 -14.687 9.361 1.00 0.00 H new ATOM 1205 N LEU A 78 0.440 -13.015 4.735 1.00 0.00 N ATOM 1206 CA LEU A 78 0.497 -13.274 3.273 1.00 0.00 C ATOM 1207 C LEU A 78 1.955 -13.498 2.908 1.00 0.00 C ATOM 1208 O LEU A 78 2.323 -14.508 2.343 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.095 -12.075 2.504 1.00 0.00 C ATOM 1210 CG LEU A 78 -0.935 -12.569 1.328 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -1.799 -11.420 0.789 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -0.010 -13.076 0.220 1.00 0.00 C ATOM 0 H LEU A 78 -0.087 -12.189 5.017 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.090 -14.153 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.710 -11.472 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.708 -11.432 2.143 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.583 -13.379 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.397 -11.777 -0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.459 -11.060 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.155 -10.606 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.608 -13.429 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.639 -12.265 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.599 -13.895 0.601 1.00 0.00 H new ATOM 1224 N ILE A 79 2.802 -12.590 3.310 1.00 0.00 N ATOM 1225 CA ILE A 79 4.248 -12.757 3.092 1.00 0.00 C ATOM 1226 C ILE A 79 4.633 -14.104 3.693 1.00 0.00 C ATOM 1227 O ILE A 79 5.157 -14.966 3.015 1.00 0.00 O ATOM 1228 CB ILE A 79 4.947 -11.599 3.844 1.00 0.00 C ATOM 1229 CG1 ILE A 79 5.039 -10.352 2.941 1.00 0.00 C ATOM 1230 CG2 ILE A 79 6.350 -11.994 4.318 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.857 -10.630 1.665 1.00 0.00 C ATOM 0 H ILE A 79 2.538 -11.728 3.788 1.00 0.00 H new ATOM 0 HA ILE A 79 4.533 -12.735 2.040 1.00 0.00 H new ATOM 0 HB ILE A 79 4.344 -11.371 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.035 -10.027 2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.498 -9.534 3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.807 -11.154 4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.279 -12.847 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.963 -12.262 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.898 -9.727 1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.869 -10.929 1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.383 -11.430 1.096 1.00 0.00 H new ATOM 1243 N SER A 80 4.382 -14.294 4.964 1.00 0.00 N ATOM 1244 CA SER A 80 4.744 -15.592 5.592 1.00 0.00 C ATOM 1245 C SER A 80 4.265 -16.740 4.703 1.00 0.00 C ATOM 1246 O SER A 80 5.002 -17.669 4.418 1.00 0.00 O ATOM 1247 CB SER A 80 4.078 -15.708 6.964 1.00 0.00 C ATOM 1248 OG SER A 80 4.267 -14.497 7.683 1.00 0.00 O ATOM 0 H SER A 80 3.947 -13.612 5.585 1.00 0.00 H new ATOM 0 HA SER A 80 5.827 -15.643 5.709 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.014 -15.913 6.848 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.505 -16.544 7.518 1.00 0.00 H new ATOM 0 HG SER A 80 3.840 -14.568 8.562 1.00 0.00 H new ATOM 1254 N GLU A 81 3.034 -16.706 4.270 1.00 0.00 N ATOM 1255 CA GLU A 81 2.535 -17.817 3.431 1.00 0.00 C ATOM 1256 C GLU A 81 3.104 -17.735 2.016 1.00 0.00 C ATOM 1257 O GLU A 81 3.224 -18.742 1.343 1.00 0.00 O ATOM 1258 CB GLU A 81 1.009 -17.750 3.362 1.00 0.00 C ATOM 1259 CG GLU A 81 0.421 -17.953 4.760 1.00 0.00 C ATOM 1260 CD GLU A 81 -1.100 -17.800 4.703 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -1.558 -16.678 4.567 1.00 0.00 O ATOM 1262 OE2 GLU A 81 -1.781 -18.808 4.795 1.00 0.00 O ATOM 0 H GLU A 81 2.363 -15.962 4.462 1.00 0.00 H new ATOM 0 HA GLU A 81 2.854 -18.758 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.695 -16.786 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.632 -18.515 2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.683 -18.942 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.844 -17.226 5.453 1.00 0.00 H new ATOM 1269 N ALA A 82 3.409 -16.560 1.506 1.00 0.00 N ATOM 1270 CA ALA A 82 3.893 -16.523 0.092 1.00 0.00 C ATOM 1271 C ALA A 82 5.329 -17.033 0.025 1.00 0.00 C ATOM 1272 O ALA A 82 5.679 -17.849 -0.795 1.00 0.00 O ATOM 1273 CB ALA A 82 3.836 -15.097 -0.463 1.00 0.00 C ATOM 0 H ALA A 82 3.347 -15.663 1.987 1.00 0.00 H new ATOM 0 HA ALA A 82 3.246 -17.161 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.193 -15.093 -1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.808 -14.736 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.467 -14.446 0.142 1.00 0.00 H new ATOM 1279 N GLU A 83 6.178 -16.522 0.888 1.00 0.00 N ATOM 1280 CA GLU A 83 7.600 -16.953 0.851 1.00 0.00 C ATOM 1281 C GLU A 83 7.634 -18.470 0.955 1.00 0.00 C ATOM 1282 O GLU A 83 8.476 -19.127 0.375 1.00 0.00 O ATOM 1283 CB GLU A 83 8.401 -16.309 1.986 1.00 0.00 C ATOM 1284 CG GLU A 83 7.861 -16.785 3.335 1.00 0.00 C ATOM 1285 CD GLU A 83 8.553 -16.018 4.463 1.00 0.00 C ATOM 1286 OE1 GLU A 83 9.158 -14.998 4.175 1.00 0.00 O ATOM 1287 OE2 GLU A 83 8.466 -16.463 5.595 1.00 0.00 O ATOM 0 H GLU A 83 5.945 -15.835 1.605 1.00 0.00 H new ATOM 0 HA GLU A 83 8.060 -16.632 -0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.455 -16.570 1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.335 -15.223 1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.783 -16.628 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.033 -17.855 3.450 1.00 0.00 H new ATOM 1294 N THR A 84 6.700 -19.036 1.669 1.00 0.00 N ATOM 1295 CA THR A 84 6.656 -20.514 1.782 1.00 0.00 C ATOM 1296 C THR A 84 6.515 -21.099 0.365 1.00 0.00 C ATOM 1297 O THR A 84 7.217 -22.018 -0.008 1.00 0.00 O ATOM 1298 CB THR A 84 5.446 -20.908 2.667 1.00 0.00 C ATOM 1299 OG1 THR A 84 4.922 -19.738 3.277 1.00 0.00 O ATOM 1300 CG2 THR A 84 5.869 -21.895 3.764 1.00 0.00 C ATOM 0 H THR A 84 5.969 -18.537 2.176 1.00 0.00 H new ATOM 0 HA THR A 84 7.564 -20.905 2.241 1.00 0.00 H new ATOM 0 HB THR A 84 4.693 -21.385 2.039 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.606 -19.334 3.851 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.003 -22.156 4.372 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.276 -22.796 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.629 -21.434 4.395 1.00 0.00 H new ATOM 1308 N ARG A 85 5.594 -20.577 -0.414 1.00 0.00 N ATOM 1309 CA ARG A 85 5.374 -21.097 -1.804 1.00 0.00 C ATOM 1310 C ARG A 85 6.698 -21.435 -2.480 1.00 0.00 C ATOM 1311 O ARG A 85 6.765 -22.321 -3.309 1.00 0.00 O ATOM 1312 CB ARG A 85 4.658 -20.037 -2.657 1.00 0.00 C ATOM 1313 CG ARG A 85 4.523 -20.525 -4.124 1.00 0.00 C ATOM 1314 CD ARG A 85 5.606 -19.890 -5.022 1.00 0.00 C ATOM 1315 NE ARG A 85 5.764 -20.710 -6.256 1.00 0.00 N ATOM 1316 CZ ARG A 85 6.334 -20.199 -7.313 1.00 0.00 C ATOM 1317 NH1 ARG A 85 6.730 -18.957 -7.307 1.00 0.00 N ATOM 1318 NH2 ARG A 85 6.497 -20.930 -8.382 1.00 0.00 N ATOM 0 H ARG A 85 4.981 -19.808 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 85 4.766 -21.998 -1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.671 -19.833 -2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.215 -19.101 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.608 -21.611 -4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.534 -20.270 -4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.326 -18.869 -5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.553 -19.833 -4.485 1.00 0.00 H new ATOM 0 HE ARG A 85 5.426 -21.672 -6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.595 -18.383 -6.475 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.175 -18.560 -8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.179 -21.899 -8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.942 -20.532 -9.209 1.00 0.00 H new ATOM 1332 N GLY A 86 7.757 -20.745 -2.153 1.00 0.00 N ATOM 1333 CA GLY A 86 9.068 -21.047 -2.805 1.00 0.00 C ATOM 1334 C GLY A 86 9.218 -20.213 -4.084 1.00 0.00 C ATOM 1335 O GLY A 86 9.409 -20.742 -5.160 1.00 0.00 O ATOM 0 H GLY A 86 7.774 -19.990 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.885 -20.826 -2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.130 -22.109 -3.043 1.00 0.00 H new ATOM 1339 N ILE A 87 9.146 -18.911 -3.974 1.00 0.00 N ATOM 1340 CA ILE A 87 9.299 -18.048 -5.184 1.00 0.00 C ATOM 1341 C ILE A 87 10.728 -18.209 -5.726 1.00 0.00 C ATOM 1342 O ILE A 87 11.108 -19.266 -6.190 1.00 0.00 O ATOM 1343 CB ILE A 87 9.020 -16.581 -4.811 1.00 0.00 C ATOM 1344 CG1 ILE A 87 7.626 -16.467 -4.165 1.00 0.00 C ATOM 1345 CG2 ILE A 87 9.032 -15.712 -6.074 1.00 0.00 C ATOM 1346 CD1 ILE A 87 7.625 -17.004 -2.730 1.00 0.00 C ATOM 0 H ILE A 87 8.988 -18.409 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 87 8.588 -18.346 -5.954 1.00 0.00 H new ATOM 0 HB ILE A 87 9.789 -16.245 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.309 -15.424 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.901 -17.020 -4.762 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.834 -14.675 -5.804 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.008 -15.782 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.263 -16.061 -6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 87 6.625 -16.908 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.918 -18.054 -2.734 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.331 -16.433 -2.127 1.00 0.00 H new ATOM 1358 N THR A 88 11.515 -17.169 -5.661 1.00 0.00 N ATOM 1359 CA THR A 88 12.921 -17.237 -6.156 1.00 0.00 C ATOM 1360 C THR A 88 13.823 -17.112 -4.949 1.00 0.00 C ATOM 1361 O THR A 88 14.727 -16.300 -4.925 1.00 0.00 O ATOM 1362 CB THR A 88 13.183 -16.078 -7.124 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.107 -15.984 -8.046 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.487 -16.331 -7.883 1.00 0.00 C ATOM 0 H THR A 88 11.240 -16.263 -5.281 1.00 0.00 H new ATOM 0 HA THR A 88 13.106 -18.173 -6.683 1.00 0.00 H new ATOM 0 HB THR A 88 13.266 -15.146 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.597 -15.166 -7.871 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.673 -15.507 -8.571 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.312 -16.405 -7.174 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.406 -17.262 -8.445 1.00 0.00 H new ATOM 1372 N SER A 89 13.586 -17.927 -3.942 1.00 0.00 N ATOM 1373 CA SER A 89 14.431 -17.862 -2.707 1.00 0.00 C ATOM 1374 C SER A 89 14.681 -16.391 -2.364 1.00 0.00 C ATOM 1375 O SER A 89 15.650 -16.046 -1.719 1.00 0.00 O ATOM 1376 CB SER A 89 15.771 -18.550 -2.976 1.00 0.00 C ATOM 1377 OG SER A 89 16.596 -18.435 -1.824 1.00 0.00 O ATOM 0 H SER A 89 12.847 -18.630 -3.925 1.00 0.00 H new ATOM 0 HA SER A 89 13.925 -18.360 -1.880 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.611 -19.600 -3.220 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.261 -18.094 -3.836 1.00 0.00 H new ATOM 0 HG SER A 89 16.514 -17.532 -1.452 1.00 0.00 H new ATOM 1383 N TYR A 90 13.829 -15.527 -2.870 1.00 0.00 N ATOM 1384 CA TYR A 90 13.998 -14.060 -2.675 1.00 0.00 C ATOM 1385 C TYR A 90 14.609 -13.739 -1.306 1.00 0.00 C ATOM 1386 O TYR A 90 14.079 -14.094 -0.273 1.00 0.00 O ATOM 1387 CB TYR A 90 12.634 -13.360 -2.817 1.00 0.00 C ATOM 1388 CG TYR A 90 12.442 -12.889 -4.253 1.00 0.00 C ATOM 1389 CD1 TYR A 90 13.303 -11.918 -4.787 1.00 0.00 C ATOM 1390 CD2 TYR A 90 11.415 -13.418 -5.046 1.00 0.00 C ATOM 1391 CE1 TYR A 90 13.137 -11.477 -6.104 1.00 0.00 C ATOM 1392 CE2 TYR A 90 11.250 -12.972 -6.367 1.00 0.00 C ATOM 1393 CZ TYR A 90 12.111 -12.003 -6.893 1.00 0.00 C ATOM 1394 OH TYR A 90 11.947 -11.566 -8.191 1.00 0.00 O ATOM 0 H TYR A 90 13.010 -15.788 -3.419 1.00 0.00 H new ATOM 0 HA TYR A 90 14.684 -13.694 -3.439 1.00 0.00 H new ATOM 0 HB2 TYR A 90 11.833 -14.045 -2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 90 12.578 -12.511 -2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 90 14.097 -11.510 -4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 90 10.751 -14.168 -4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 90 13.802 -10.730 -6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 90 10.457 -13.378 -6.978 1.00 0.00 H new ATOM 0 HH TYR A 90 11.189 -12.033 -8.600 1.00 0.00 H new ATOM 1404 N ASN A 91 15.731 -13.066 -1.304 1.00 0.00 N ATOM 1405 CA ASN A 91 16.404 -12.701 -0.027 1.00 0.00 C ATOM 1406 C ASN A 91 16.138 -11.230 0.418 1.00 0.00 C ATOM 1407 O ASN A 91 16.398 -10.921 1.560 1.00 0.00 O ATOM 1408 CB ASN A 91 17.911 -12.891 -0.201 1.00 0.00 C ATOM 1409 CG ASN A 91 18.614 -12.653 1.137 1.00 0.00 C ATOM 1410 OD1 ASN A 91 19.099 -11.570 1.398 1.00 0.00 O ATOM 1411 ND2 ASN A 91 18.689 -13.627 2.003 1.00 0.00 N ATOM 0 H ASN A 91 16.214 -12.751 -2.146 1.00 0.00 H new ATOM 0 HA ASN A 91 15.994 -13.349 0.748 1.00 0.00 H new ATOM 0 HB2 ASN A 91 18.122 -13.898 -0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 91 18.291 -12.198 -0.952 1.00 0.00 H new ATOM 0 HD21 ASN A 91 19.155 -13.479 2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 91 18.282 -14.536 1.784 1.00 0.00 H new ATOM 1418 N PRO A 92 15.668 -10.334 -0.447 1.00 0.00 N ATOM 1419 CA PRO A 92 15.446 -8.937 -0.017 1.00 0.00 C ATOM 1420 C PRO A 92 14.304 -8.855 0.995 1.00 0.00 C ATOM 1421 O PRO A 92 14.436 -8.264 2.048 1.00 0.00 O ATOM 1422 CB PRO A 92 15.098 -8.166 -1.311 1.00 0.00 C ATOM 1423 CG PRO A 92 14.997 -9.211 -2.458 1.00 0.00 C ATOM 1424 CD PRO A 92 15.344 -10.593 -1.863 1.00 0.00 C ATOM 0 HA PRO A 92 16.322 -8.519 0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.157 -7.628 -1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.864 -7.423 -1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.993 -9.218 -2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.683 -8.959 -3.267 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.505 -11.283 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 92 16.188 -11.045 -2.384 1.00 0.00 H new ATOM 1432 N LEU A 93 13.179 -9.458 0.690 1.00 0.00 N ATOM 1433 CA LEU A 93 12.051 -9.410 1.662 1.00 0.00 C ATOM 1434 C LEU A 93 12.609 -9.901 2.985 1.00 0.00 C ATOM 1435 O LEU A 93 12.475 -9.243 3.983 1.00 0.00 O ATOM 1436 CB LEU A 93 10.828 -10.261 1.211 1.00 0.00 C ATOM 1437 CG LEU A 93 11.185 -11.197 0.043 1.00 0.00 C ATOM 1438 CD1 LEU A 93 12.104 -12.336 0.521 1.00 0.00 C ATOM 1439 CD2 LEU A 93 9.889 -11.781 -0.543 1.00 0.00 C ATOM 0 H LEU A 93 12.999 -9.971 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 93 11.668 -8.392 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.465 -10.851 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.015 -9.600 0.912 1.00 0.00 H new ATOM 0 HG LEU A 93 11.716 -10.629 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.345 -12.987 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.023 -11.915 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.596 -12.914 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.132 -12.446 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.361 -12.341 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.254 -10.971 -0.902 1.00 0.00 H new ATOM 1451 N ALA A 94 13.215 -11.069 2.943 1.00 0.00 N ATOM 1452 CA ALA A 94 13.841 -11.731 4.145 1.00 0.00 C ATOM 1453 C ALA A 94 13.897 -10.754 5.324 1.00 0.00 C ATOM 1454 O ALA A 94 13.417 -11.023 6.407 1.00 0.00 O ATOM 1455 CB ALA A 94 15.255 -12.152 3.753 1.00 0.00 C ATOM 0 H ALA A 94 13.306 -11.615 2.086 1.00 0.00 H new ATOM 0 HA ALA A 94 13.250 -12.594 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 94 15.739 -12.636 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 94 15.208 -12.849 2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 94 15.829 -11.272 3.461 1.00 0.00 H new ATOM 1461 N GLY A 95 14.429 -9.589 5.073 1.00 0.00 N ATOM 1462 CA GLY A 95 14.471 -8.527 6.119 1.00 0.00 C ATOM 1463 C GLY A 95 13.018 -8.074 6.371 1.00 0.00 C ATOM 1464 O GLY A 95 12.111 -8.858 6.186 1.00 0.00 O ATOM 0 H GLY A 95 14.841 -9.325 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.919 -8.909 7.036 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.084 -7.688 5.790 1.00 0.00 H new ATOM 1468 N PRO A 96 12.803 -6.842 6.784 1.00 0.00 N ATOM 1469 CA PRO A 96 11.423 -6.369 7.017 1.00 0.00 C ATOM 1470 C PRO A 96 10.730 -6.204 5.646 1.00 0.00 C ATOM 1471 O PRO A 96 11.366 -6.370 4.625 1.00 0.00 O ATOM 1472 CB PRO A 96 11.592 -5.026 7.758 1.00 0.00 C ATOM 1473 CG PRO A 96 13.118 -4.687 7.755 1.00 0.00 C ATOM 1474 CD PRO A 96 13.861 -5.869 7.084 1.00 0.00 C ATOM 0 HA PRO A 96 10.806 -7.050 7.603 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.022 -4.239 7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.216 -5.099 8.778 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.303 -3.761 7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.479 -4.537 8.773 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.377 -5.551 6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.614 -6.293 7.748 1.00 0.00 H new ATOM 1482 N LEU A 97 9.454 -5.884 5.576 1.00 0.00 N ATOM 1483 CA LEU A 97 8.817 -5.735 4.225 1.00 0.00 C ATOM 1484 C LEU A 97 9.220 -4.382 3.623 1.00 0.00 C ATOM 1485 O LEU A 97 9.760 -4.323 2.536 1.00 0.00 O ATOM 1486 CB LEU A 97 7.294 -5.832 4.349 1.00 0.00 C ATOM 1487 CG LEU A 97 6.935 -6.878 5.405 1.00 0.00 C ATOM 1488 CD1 LEU A 97 5.418 -7.064 5.440 1.00 0.00 C ATOM 1489 CD2 LEU A 97 7.607 -8.209 5.056 1.00 0.00 C ATOM 0 H LEU A 97 8.841 -5.723 6.375 1.00 0.00 H new ATOM 0 HA LEU A 97 9.160 -6.536 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.878 -4.863 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.857 -6.104 3.388 1.00 0.00 H new ATOM 0 HG LEU A 97 7.283 -6.543 6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.160 -7.809 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.941 -6.116 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.070 -7.399 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.351 -8.954 5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.261 -8.546 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.688 -8.075 5.031 1.00 0.00 H new ATOM 1501 N ARG A 98 8.923 -3.295 4.301 1.00 0.00 N ATOM 1502 CA ARG A 98 9.278 -1.929 3.776 1.00 0.00 C ATOM 1503 C ARG A 98 10.661 -1.991 3.093 1.00 0.00 C ATOM 1504 O ARG A 98 10.989 -1.214 2.226 1.00 0.00 O ATOM 1505 CB ARG A 98 9.312 -0.958 4.984 1.00 0.00 C ATOM 1506 CG ARG A 98 10.376 0.136 4.796 1.00 0.00 C ATOM 1507 CD ARG A 98 10.107 1.295 5.760 1.00 0.00 C ATOM 1508 NE ARG A 98 11.312 2.168 5.833 1.00 0.00 N ATOM 1509 CZ ARG A 98 11.222 3.362 6.352 1.00 0.00 C ATOM 1510 NH1 ARG A 98 10.077 3.788 6.809 1.00 0.00 N ATOM 1511 NH2 ARG A 98 12.276 4.128 6.415 1.00 0.00 N ATOM 0 H ARG A 98 8.446 -3.294 5.203 1.00 0.00 H new ATOM 0 HA ARG A 98 8.548 -1.586 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.332 -0.497 5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.520 -1.517 5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.369 -0.275 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.362 0.496 3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.246 1.872 5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.863 0.910 6.750 1.00 0.00 H new ATOM 0 HE ARG A 98 12.207 1.833 5.477 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.253 3.188 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.005 4.721 7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.171 3.794 6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.205 5.061 6.821 1.00 0.00 H new ATOM 1525 N VAL A 99 11.432 -2.958 3.492 1.00 0.00 N ATOM 1526 CA VAL A 99 12.784 -3.169 2.906 1.00 0.00 C ATOM 1527 C VAL A 99 12.629 -3.941 1.587 1.00 0.00 C ATOM 1528 O VAL A 99 13.286 -3.652 0.607 1.00 0.00 O ATOM 1529 CB VAL A 99 13.654 -3.947 3.925 1.00 0.00 C ATOM 1530 CG1 VAL A 99 14.710 -4.804 3.207 1.00 0.00 C ATOM 1531 CG2 VAL A 99 14.370 -2.940 4.842 1.00 0.00 C ATOM 0 H VAL A 99 11.177 -3.628 4.217 1.00 0.00 H new ATOM 0 HA VAL A 99 13.276 -2.220 2.694 1.00 0.00 H new ATOM 0 HB VAL A 99 13.006 -4.604 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.307 -5.340 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.213 -5.521 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.359 -4.160 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.985 -3.478 5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.003 -2.287 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.630 -2.341 5.372 1.00 0.00 H new ATOM 1541 N GLN A 100 11.767 -4.914 1.558 1.00 0.00 N ATOM 1542 CA GLN A 100 11.564 -5.702 0.312 1.00 0.00 C ATOM 1543 C GLN A 100 11.450 -4.764 -0.897 1.00 0.00 C ATOM 1544 O GLN A 100 12.127 -4.946 -1.890 1.00 0.00 O ATOM 1545 CB GLN A 100 10.294 -6.586 0.455 1.00 0.00 C ATOM 1546 CG GLN A 100 9.025 -5.883 -0.060 1.00 0.00 C ATOM 1547 CD GLN A 100 7.808 -6.762 0.240 1.00 0.00 C ATOM 1548 OE1 GLN A 100 6.833 -6.281 0.962 1.00 0.00 O flip ATOM 1549 NE2 GLN A 100 7.745 -7.898 -0.186 1.00 0.00 N flip ATOM 0 H GLN A 100 11.190 -5.200 2.349 1.00 0.00 H new ATOM 0 HA GLN A 100 12.423 -6.353 0.151 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.439 -7.516 -0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.157 -6.853 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 100 8.913 -4.910 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.104 -5.703 -1.132 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.507 -8.274 -0.750 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.930 -8.476 0.021 1.00 0.00 H new ATOM 1558 N ALA A 101 10.573 -3.788 -0.847 1.00 0.00 N ATOM 1559 CA ALA A 101 10.400 -2.881 -2.033 1.00 0.00 C ATOM 1560 C ALA A 101 11.326 -1.662 -1.946 1.00 0.00 C ATOM 1561 O ALA A 101 11.776 -1.165 -2.959 1.00 0.00 O ATOM 1562 CB ALA A 101 8.941 -2.430 -2.128 1.00 0.00 C ATOM 0 H ALA A 101 9.975 -3.580 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 101 10.669 -3.438 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.819 -1.773 -2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.297 -3.302 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.666 -1.894 -1.220 1.00 0.00 H new ATOM 1568 N ASN A 102 11.633 -1.173 -0.783 1.00 0.00 N ATOM 1569 CA ASN A 102 12.548 0.004 -0.723 1.00 0.00 C ATOM 1570 C ASN A 102 13.948 -0.452 -1.135 1.00 0.00 C ATOM 1571 O ASN A 102 14.936 -0.059 -0.547 1.00 0.00 O ATOM 1572 CB ASN A 102 12.597 0.574 0.695 1.00 0.00 C ATOM 1573 CG ASN A 102 11.218 1.116 1.075 1.00 0.00 C ATOM 1574 OD1 ASN A 102 10.176 0.759 0.376 1.00 0.00 O flip ATOM 1575 ND2 ASN A 102 11.088 1.872 2.017 1.00 0.00 N flip ATOM 0 H ASN A 102 11.301 -1.525 0.115 1.00 0.00 H new ATOM 0 HA ASN A 102 12.184 0.781 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.902 -0.200 1.399 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.341 1.369 0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.903 2.151 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.164 2.228 2.262 1.00 0.00 H new ATOM 1582 N ASN A 103 14.038 -1.289 -2.144 1.00 0.00 N ATOM 1583 CA ASN A 103 15.364 -1.794 -2.613 1.00 0.00 C ATOM 1584 C ASN A 103 15.463 -1.611 -4.140 1.00 0.00 C ATOM 1585 O ASN A 103 15.204 -2.544 -4.874 1.00 0.00 O ATOM 1586 CB ASN A 103 15.464 -3.287 -2.291 1.00 0.00 C ATOM 1587 CG ASN A 103 16.840 -3.807 -2.707 1.00 0.00 C ATOM 1588 OD1 ASN A 103 17.091 -4.030 -3.875 1.00 0.00 O ATOM 1589 ND2 ASN A 103 17.750 -4.013 -1.794 1.00 0.00 N ATOM 0 H ASN A 103 13.238 -1.646 -2.666 1.00 0.00 H new ATOM 0 HA ASN A 103 16.166 -1.245 -2.119 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.309 -3.451 -1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.682 -3.836 -2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 103 18.671 -4.361 -2.061 1.00 0.00 H new ATOM 0 HD22 ASN A 103 17.540 -3.826 -0.813 1.00 0.00 H new ATOM 1596 N PRO A 104 15.827 -0.425 -4.590 1.00 0.00 N ATOM 1597 CA PRO A 104 15.942 -0.157 -6.038 1.00 0.00 C ATOM 1598 C PRO A 104 16.848 -1.201 -6.703 1.00 0.00 C ATOM 1599 O PRO A 104 16.709 -1.492 -7.875 1.00 0.00 O ATOM 1600 CB PRO A 104 16.532 1.269 -6.130 1.00 0.00 C ATOM 1601 CG PRO A 104 16.460 1.883 -4.703 1.00 0.00 C ATOM 1602 CD PRO A 104 16.157 0.729 -3.722 1.00 0.00 C ATOM 0 HA PRO A 104 14.987 -0.221 -6.559 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.562 1.238 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 104 15.968 1.875 -6.839 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.401 2.369 -4.446 1.00 0.00 H new ATOM 0 HG3 PRO A 104 15.683 2.646 -4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.016 0.514 -3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 104 15.326 0.978 -3.062 1.00 0.00 H new ATOM 1610 N GLN A 105 17.763 -1.776 -5.975 1.00 0.00 N ATOM 1611 CA GLN A 105 18.648 -2.804 -6.590 1.00 0.00 C ATOM 1612 C GLN A 105 17.823 -4.062 -6.879 1.00 0.00 C ATOM 1613 O GLN A 105 18.249 -4.947 -7.594 1.00 0.00 O ATOM 1614 CB GLN A 105 19.787 -3.143 -5.627 1.00 0.00 C ATOM 1615 CG GLN A 105 20.590 -1.877 -5.320 1.00 0.00 C ATOM 1616 CD GLN A 105 21.321 -1.418 -6.583 1.00 0.00 C ATOM 1617 OE1 GLN A 105 21.816 -2.228 -7.341 1.00 0.00 O ATOM 1618 NE2 GLN A 105 21.410 -0.142 -6.844 1.00 0.00 N ATOM 0 H GLN A 105 17.936 -1.581 -4.989 1.00 0.00 H new ATOM 0 HA GLN A 105 19.070 -2.420 -7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.385 -3.564 -4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.436 -3.900 -6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 105 19.926 -1.089 -4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 105 21.307 -2.073 -4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 105 20.995 0.539 -6.208 1.00 0.00 H new ATOM 0 HE22 GLN A 105 21.895 0.174 -7.684 1.00 0.00 H new ATOM 1627 N GLN A 106 16.639 -4.139 -6.329 1.00 0.00 N ATOM 1628 CA GLN A 106 15.764 -5.329 -6.562 1.00 0.00 C ATOM 1629 C GLN A 106 14.301 -4.880 -6.523 1.00 0.00 C ATOM 1630 O GLN A 106 13.578 -5.157 -5.587 1.00 0.00 O ATOM 1631 CB GLN A 106 16.016 -6.370 -5.468 1.00 0.00 C ATOM 1632 CG GLN A 106 17.501 -6.742 -5.453 1.00 0.00 C ATOM 1633 CD GLN A 106 17.715 -7.968 -4.563 1.00 0.00 C ATOM 1634 OE1 GLN A 106 17.907 -7.840 -3.370 1.00 0.00 O ATOM 1635 NE2 GLN A 106 17.693 -9.158 -5.097 1.00 0.00 N ATOM 0 H GLN A 106 16.237 -3.423 -5.724 1.00 0.00 H new ATOM 0 HA GLN A 106 15.987 -5.772 -7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.719 -5.973 -4.497 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.409 -7.257 -5.648 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.844 -6.952 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.092 -5.904 -5.083 1.00 0.00 H new ATOM 0 HE21 GLN A 106 17.532 -9.265 -6.099 1.00 0.00 H new ATOM 0 HE22 GLN A 106 17.837 -9.982 -4.513 1.00 0.00 H new ATOM 1644 N GLN A 107 13.869 -4.174 -7.533 1.00 0.00 N ATOM 1645 CA GLN A 107 12.461 -3.683 -7.564 1.00 0.00 C ATOM 1646 C GLN A 107 11.523 -4.789 -8.061 1.00 0.00 C ATOM 1647 O GLN A 107 10.325 -4.607 -8.130 1.00 0.00 O ATOM 1648 CB GLN A 107 12.365 -2.476 -8.500 1.00 0.00 C ATOM 1649 CG GLN A 107 12.836 -2.874 -9.901 1.00 0.00 C ATOM 1650 CD GLN A 107 12.885 -1.633 -10.794 1.00 0.00 C ATOM 1651 OE1 GLN A 107 11.904 -1.282 -11.420 1.00 0.00 O ATOM 1652 NE2 GLN A 107 13.993 -0.950 -10.881 1.00 0.00 N ATOM 0 H GLN A 107 14.434 -3.915 -8.342 1.00 0.00 H new ATOM 0 HA GLN A 107 12.164 -3.394 -6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.337 -2.115 -8.540 1.00 0.00 H new ATOM 0 HB3 GLN A 107 12.976 -1.658 -8.119 1.00 0.00 H new ATOM 0 HG2 GLN A 107 13.822 -3.336 -9.847 1.00 0.00 H new ATOM 0 HG3 GLN A 107 12.160 -3.615 -10.327 1.00 0.00 H new ATOM 0 HE21 GLN A 107 14.816 -1.245 -10.356 1.00 0.00 H new ATOM 0 HE22 GLN A 107 14.036 -0.121 -11.474 1.00 0.00 H new ATOM 1661 N GLY A 108 12.045 -5.936 -8.413 1.00 0.00 N ATOM 1662 CA GLY A 108 11.155 -7.037 -8.899 1.00 0.00 C ATOM 1663 C GLY A 108 9.961 -7.164 -7.954 1.00 0.00 C ATOM 1664 O GLY A 108 8.852 -6.783 -8.270 1.00 0.00 O ATOM 0 H GLY A 108 13.040 -6.158 -8.386 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.813 -6.825 -9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.706 -7.977 -8.939 1.00 0.00 H new ATOM 1668 N LEU A 109 10.212 -7.659 -6.780 1.00 0.00 N ATOM 1669 CA LEU A 109 9.133 -7.778 -5.758 1.00 0.00 C ATOM 1670 C LEU A 109 8.298 -6.498 -5.747 1.00 0.00 C ATOM 1671 O LEU A 109 7.091 -6.577 -5.767 1.00 0.00 O ATOM 1672 CB LEU A 109 9.753 -8.038 -4.384 1.00 0.00 C ATOM 1673 CG LEU A 109 10.515 -9.368 -4.420 1.00 0.00 C ATOM 1674 CD1 LEU A 109 11.082 -9.641 -3.032 1.00 0.00 C ATOM 1675 CD2 LEU A 109 9.571 -10.521 -4.834 1.00 0.00 C ATOM 0 H LEU A 109 11.128 -7.991 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 109 8.480 -8.615 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.428 -7.225 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.975 -8.071 -3.621 1.00 0.00 H new ATOM 0 HG LEU A 109 11.321 -9.305 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 109 11.627 -10.585 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 109 11.758 -8.834 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 109 10.267 -9.700 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.128 -11.458 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.755 -10.599 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.163 -10.320 -5.825 1.00 0.00 H new ATOM 1687 N ARG A 110 8.887 -5.327 -5.700 1.00 0.00 N ATOM 1688 CA ARG A 110 8.041 -4.079 -5.692 1.00 0.00 C ATOM 1689 C ARG A 110 6.883 -4.244 -6.690 1.00 0.00 C ATOM 1690 O ARG A 110 5.806 -3.711 -6.501 1.00 0.00 O ATOM 1691 CB ARG A 110 8.884 -2.859 -6.074 1.00 0.00 C ATOM 1692 CG ARG A 110 8.080 -1.581 -5.826 1.00 0.00 C ATOM 1693 CD ARG A 110 8.960 -0.362 -6.116 1.00 0.00 C ATOM 1694 NE ARG A 110 8.325 0.859 -5.546 1.00 0.00 N ATOM 1695 CZ ARG A 110 9.023 1.954 -5.412 1.00 0.00 C ATOM 1696 NH1 ARG A 110 10.276 1.979 -5.778 1.00 0.00 N ATOM 1697 NH2 ARG A 110 8.469 3.024 -4.913 1.00 0.00 N ATOM 0 H ARG A 110 9.895 -5.176 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 110 7.643 -3.925 -4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.803 -2.842 -5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.175 -2.920 -7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.196 -1.565 -6.463 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.730 -1.553 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.950 -0.505 -5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.095 -0.246 -7.191 1.00 0.00 H new ATOM 0 HE ARG A 110 7.346 0.840 -5.261 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.710 1.143 -6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.821 2.835 -5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 110 7.490 3.005 -4.627 1.00 0.00 H new ATOM 0 HH22 ARG A 110 9.015 3.879 -4.808 1.00 0.00 H new ATOM 1711 N ARG A 111 7.082 -5.025 -7.721 1.00 0.00 N ATOM 1712 CA ARG A 111 5.975 -5.272 -8.700 1.00 0.00 C ATOM 1713 C ARG A 111 5.118 -6.426 -8.157 1.00 0.00 C ATOM 1714 O ARG A 111 3.909 -6.424 -8.286 1.00 0.00 O ATOM 1715 CB ARG A 111 6.507 -5.644 -10.103 1.00 0.00 C ATOM 1716 CG ARG A 111 7.848 -4.943 -10.415 1.00 0.00 C ATOM 1717 CD ARG A 111 8.639 -5.789 -11.419 1.00 0.00 C ATOM 1718 NE ARG A 111 9.943 -5.130 -11.709 1.00 0.00 N ATOM 1719 CZ ARG A 111 10.898 -5.798 -12.297 1.00 0.00 C ATOM 1720 NH1 ARG A 111 10.712 -7.047 -12.629 1.00 0.00 N ATOM 1721 NH2 ARG A 111 12.039 -5.218 -12.553 1.00 0.00 N ATOM 0 H ARG A 111 7.959 -5.502 -7.929 1.00 0.00 H new ATOM 0 HA ARG A 111 5.394 -4.357 -8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.639 -6.724 -10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.769 -5.368 -10.856 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.666 -3.949 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.424 -4.811 -9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.806 -6.788 -11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.068 -5.908 -12.339 1.00 0.00 H new ATOM 0 HE ARG A 111 10.090 -4.155 -11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.821 -7.501 -12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.458 -7.569 -13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.185 -4.242 -12.294 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.785 -5.740 -13.012 1.00 0.00 H new ATOM 1735 N GLU A 112 5.715 -7.390 -7.516 1.00 0.00 N ATOM 1736 CA GLU A 112 4.896 -8.490 -6.942 1.00 0.00 C ATOM 1737 C GLU A 112 4.179 -7.929 -5.718 1.00 0.00 C ATOM 1738 O GLU A 112 3.013 -8.182 -5.489 1.00 0.00 O ATOM 1739 CB GLU A 112 5.796 -9.662 -6.535 1.00 0.00 C ATOM 1740 CG GLU A 112 4.945 -10.920 -6.344 1.00 0.00 C ATOM 1741 CD GLU A 112 4.470 -11.428 -7.706 1.00 0.00 C ATOM 1742 OE1 GLU A 112 5.254 -12.073 -8.382 1.00 0.00 O ATOM 1743 OE2 GLU A 112 3.330 -11.164 -8.050 1.00 0.00 O ATOM 0 H GLU A 112 6.721 -7.464 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 112 4.178 -8.859 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.553 -9.835 -7.300 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.324 -9.424 -5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.526 -11.692 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.088 -10.699 -5.708 1.00 0.00 H new ATOM 1750 N TYR A 113 4.877 -7.147 -4.940 1.00 0.00 N ATOM 1751 CA TYR A 113 4.254 -6.534 -3.736 1.00 0.00 C ATOM 1752 C TYR A 113 2.897 -5.948 -4.129 1.00 0.00 C ATOM 1753 O TYR A 113 1.862 -6.427 -3.710 1.00 0.00 O ATOM 1754 CB TYR A 113 5.161 -5.421 -3.205 1.00 0.00 C ATOM 1755 CG TYR A 113 4.599 -4.886 -1.908 1.00 0.00 C ATOM 1756 CD1 TYR A 113 4.668 -5.661 -0.745 1.00 0.00 C ATOM 1757 CD2 TYR A 113 4.011 -3.614 -1.868 1.00 0.00 C ATOM 1758 CE1 TYR A 113 4.149 -5.167 0.458 1.00 0.00 C ATOM 1759 CE2 TYR A 113 3.493 -3.121 -0.665 1.00 0.00 C ATOM 1760 CZ TYR A 113 3.562 -3.897 0.498 1.00 0.00 C ATOM 1761 OH TYR A 113 3.051 -3.409 1.683 1.00 0.00 O ATOM 0 H TYR A 113 5.857 -6.906 -5.089 1.00 0.00 H new ATOM 0 HA TYR A 113 4.120 -7.287 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 113 6.169 -5.804 -3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.237 -4.619 -3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 113 5.122 -6.641 -0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.958 -3.015 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 113 4.202 -5.766 1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.040 -2.141 -0.634 1.00 0.00 H new ATOM 0 HH TYR A 113 3.556 -3.782 2.435 1.00 0.00 H new ATOM 1771 N GLN A 114 2.889 -4.914 -4.932 1.00 0.00 N ATOM 1772 CA GLN A 114 1.593 -4.301 -5.351 1.00 0.00 C ATOM 1773 C GLN A 114 0.607 -5.398 -5.764 1.00 0.00 C ATOM 1774 O GLN A 114 -0.581 -5.283 -5.560 1.00 0.00 O ATOM 1775 CB GLN A 114 1.833 -3.360 -6.535 1.00 0.00 C ATOM 1776 CG GLN A 114 2.665 -4.075 -7.598 1.00 0.00 C ATOM 1777 CD GLN A 114 2.935 -3.123 -8.765 1.00 0.00 C ATOM 1778 OE1 GLN A 114 2.707 -3.465 -9.908 1.00 0.00 O ATOM 1779 NE2 GLN A 114 3.416 -1.934 -8.523 1.00 0.00 N ATOM 0 H GLN A 114 3.723 -4.469 -5.315 1.00 0.00 H new ATOM 0 HA GLN A 114 1.176 -3.740 -4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 114 0.880 -3.041 -6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.349 -2.461 -6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.607 -4.416 -7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 114 2.137 -4.960 -7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.607 -1.647 -7.563 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.600 -1.292 -9.294 1.00 0.00 H new ATOM 1788 N GLN A 115 1.088 -6.458 -6.351 1.00 0.00 N ATOM 1789 CA GLN A 115 0.166 -7.548 -6.782 1.00 0.00 C ATOM 1790 C GLN A 115 -0.422 -8.264 -5.559 1.00 0.00 C ATOM 1791 O GLN A 115 -1.608 -8.535 -5.496 1.00 0.00 O ATOM 1792 CB GLN A 115 0.938 -8.554 -7.642 1.00 0.00 C ATOM 1793 CG GLN A 115 -0.048 -9.416 -8.433 1.00 0.00 C ATOM 1794 CD GLN A 115 0.723 -10.426 -9.283 1.00 0.00 C ATOM 1795 OE1 GLN A 115 0.893 -11.641 -8.837 1.00 0.00 O flip ATOM 1796 NE2 GLN A 115 1.176 -10.108 -10.364 1.00 0.00 N flip ATOM 0 H GLN A 115 2.075 -6.618 -6.551 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.650 -7.115 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.605 -8.028 -8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.562 -9.185 -7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -0.720 -9.937 -7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -0.667 -8.786 -9.071 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.044 -9.159 -10.713 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.689 -10.790 -10.923 1.00 0.00 H new ATOM 1805 N LEU A 116 0.387 -8.563 -4.577 1.00 0.00 N ATOM 1806 CA LEU A 116 -0.138 -9.255 -3.362 1.00 0.00 C ATOM 1807 C LEU A 116 -0.684 -8.214 -2.387 1.00 0.00 C ATOM 1808 O LEU A 116 -1.545 -8.497 -1.574 1.00 0.00 O ATOM 1809 CB LEU A 116 0.993 -10.036 -2.689 1.00 0.00 C ATOM 1810 CG LEU A 116 1.765 -10.843 -3.737 1.00 0.00 C ATOM 1811 CD1 LEU A 116 2.915 -11.590 -3.056 1.00 0.00 C ATOM 1812 CD2 LEU A 116 0.825 -11.854 -4.405 1.00 0.00 C ATOM 0 H LEU A 116 1.386 -8.359 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.933 -9.943 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.667 -9.349 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.584 -10.704 -1.931 1.00 0.00 H new ATOM 0 HG LEU A 116 2.164 -10.167 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.466 -12.165 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.585 -10.872 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.513 -12.265 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.377 -12.427 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.424 -12.531 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.005 -11.324 -4.889 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.201 -7.006 -2.472 1.00 0.00 N ATOM 1825 CA TRP A 117 -0.697 -5.942 -1.562 1.00 0.00 C ATOM 1826 C TRP A 117 -2.031 -5.416 -2.101 1.00 0.00 C ATOM 1827 O TRP A 117 -2.930 -5.098 -1.347 1.00 0.00 O ATOM 1828 CB TRP A 117 0.340 -4.814 -1.490 1.00 0.00 C ATOM 1829 CG TRP A 117 -0.261 -3.589 -0.868 1.00 0.00 C ATOM 1830 CD1 TRP A 117 -1.213 -3.591 0.094 1.00 0.00 C ATOM 1831 CD2 TRP A 117 0.034 -2.190 -1.149 1.00 0.00 C ATOM 1832 NE1 TRP A 117 -1.521 -2.283 0.419 1.00 0.00 N ATOM 1833 CE2 TRP A 117 -0.779 -1.383 -0.319 1.00 0.00 C ATOM 1834 CE3 TRP A 117 0.918 -1.550 -2.036 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 -0.717 0.010 -0.366 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 0.984 -0.148 -2.086 1.00 0.00 C ATOM 1837 CH2 TRP A 117 0.168 0.631 -1.252 1.00 0.00 C ATOM 0 H TRP A 117 0.517 -6.711 -3.134 1.00 0.00 H new ATOM 0 HA TRP A 117 -0.849 -6.338 -0.558 1.00 0.00 H new ATOM 0 HB2 TRP A 117 1.201 -5.140 -0.907 1.00 0.00 H new ATOM 0 HB3 TRP A 117 0.703 -4.581 -2.491 1.00 0.00 H new ATOM 0 HD1 TRP A 117 -1.659 -4.470 0.535 1.00 0.00 H new ATOM 0 HE1 TRP A 117 -2.213 -2.015 1.119 1.00 0.00 H new ATOM 0 HE3 TRP A 117 1.550 -2.140 -2.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 -1.348 0.604 0.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 1.667 0.333 -2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 117 0.224 1.709 -1.294 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.200 -5.374 -3.399 1.00 0.00 N ATOM 1849 CA LEU A 118 -3.503 -4.920 -3.951 1.00 0.00 C ATOM 1850 C LEU A 118 -4.542 -5.993 -3.653 1.00 0.00 C ATOM 1851 O LEU A 118 -5.683 -5.680 -3.375 1.00 0.00 O ATOM 1852 CB LEU A 118 -3.401 -4.647 -5.454 1.00 0.00 C ATOM 1853 CG LEU A 118 -2.623 -3.336 -5.689 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -2.195 -3.261 -7.157 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.497 -2.109 -5.347 1.00 0.00 C ATOM 0 H LEU A 118 -1.497 -5.633 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.798 -3.981 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.896 -5.475 -5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.398 -4.574 -5.889 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.747 -3.329 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -1.645 -2.336 -7.329 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -1.557 -4.112 -7.394 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.078 -3.281 -7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.927 -1.196 -5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.385 -2.108 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.796 -2.156 -4.300 1.00 0.00 H new ATOM 1867 N ALA A 119 -4.172 -7.249 -3.601 1.00 0.00 N ATOM 1868 CA ALA A 119 -5.188 -8.258 -3.193 1.00 0.00 C ATOM 1869 C ALA A 119 -5.662 -7.806 -1.811 1.00 0.00 C ATOM 1870 O ALA A 119 -6.756 -7.297 -1.679 1.00 0.00 O ATOM 1871 CB ALA A 119 -4.574 -9.658 -3.127 1.00 0.00 C ATOM 0 H ALA A 119 -3.242 -7.608 -3.816 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.009 -8.320 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.337 -10.376 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.185 -9.931 -4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.762 -9.665 -2.399 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.873 -7.976 -0.785 1.00 0.00 N ATOM 1878 CA ALA A 120 -5.310 -7.523 0.570 1.00 0.00 C ATOM 1879 C ALA A 120 -5.933 -6.121 0.508 1.00 0.00 C ATOM 1880 O ALA A 120 -6.501 -5.677 1.474 1.00 0.00 O ATOM 1881 CB ALA A 120 -4.101 -7.459 1.499 1.00 0.00 C ATOM 0 H ALA A 120 -3.949 -8.406 -0.824 1.00 0.00 H new ATOM 0 HA ALA A 120 -6.050 -8.233 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.419 -7.129 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.648 -8.447 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.371 -6.755 1.099 1.00 0.00 H new ATOM 1887 N PHE A 121 -5.857 -5.429 -0.611 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.485 -4.065 -0.711 1.00 0.00 C ATOM 1889 C PHE A 121 -7.758 -4.161 -1.570 1.00 0.00 C ATOM 1890 O PHE A 121 -8.654 -3.351 -1.446 1.00 0.00 O ATOM 1891 CB PHE A 121 -5.488 -3.071 -1.338 1.00 0.00 C ATOM 1892 CG PHE A 121 -5.704 -1.683 -0.780 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -6.780 -0.915 -1.231 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -4.826 -1.167 0.180 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -6.981 0.371 -0.722 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -5.025 0.120 0.689 1.00 0.00 C ATOM 1897 CZ PHE A 121 -6.103 0.889 0.238 1.00 0.00 C ATOM 0 H PHE A 121 -5.388 -5.750 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.747 -3.706 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.467 -3.395 -1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -5.611 -3.057 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -7.456 -1.315 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.995 -1.763 0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.813 0.965 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -4.348 0.520 1.429 1.00 0.00 H new ATOM 0 HZ PHE A 121 -6.258 1.883 0.631 1.00 0.00 H new ATOM 1907 N ALA A 122 -7.859 -5.156 -2.412 1.00 0.00 N ATOM 1908 CA ALA A 122 -9.094 -5.321 -3.248 1.00 0.00 C ATOM 1909 C ALA A 122 -9.998 -6.345 -2.578 1.00 0.00 C ATOM 1910 O ALA A 122 -11.191 -6.364 -2.810 1.00 0.00 O ATOM 1911 CB ALA A 122 -8.735 -5.740 -4.677 1.00 0.00 C ATOM 0 H ALA A 122 -7.140 -5.865 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 122 -9.621 -4.370 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.647 -5.853 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.104 -4.977 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.199 -6.689 -4.654 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.477 -7.135 -1.696 1.00 0.00 N ATOM 1918 CA ALA A 123 -10.350 -8.082 -0.954 1.00 0.00 C ATOM 1919 C ALA A 123 -10.701 -7.378 0.357 1.00 0.00 C ATOM 1920 O ALA A 123 -11.110 -7.987 1.322 1.00 0.00 O ATOM 1921 CB ALA A 123 -9.575 -9.367 -0.654 1.00 0.00 C ATOM 0 H ALA A 123 -8.487 -7.170 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.240 -8.348 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -10.217 -10.060 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -9.256 -9.826 -1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.700 -9.131 -0.048 1.00 0.00 H new ATOM 1927 N LEU A 124 -10.443 -6.089 0.410 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.647 -5.332 1.678 1.00 0.00 C ATOM 1929 C LEU A 124 -12.110 -5.385 2.166 1.00 0.00 C ATOM 1930 O LEU A 124 -12.364 -5.861 3.254 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.191 -3.858 1.493 1.00 0.00 C ATOM 1932 CG LEU A 124 -8.899 -3.595 2.300 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.297 -2.236 1.921 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -9.209 -3.642 3.808 1.00 0.00 C ATOM 0 H LEU A 124 -10.100 -5.534 -0.374 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.038 -5.810 2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.017 -3.653 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -10.979 -3.181 1.823 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.170 -4.370 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.388 -2.067 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.058 -2.228 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.016 -1.446 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -8.296 -3.456 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.948 -2.879 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.603 -4.624 4.068 1.00 0.00 H new ATOM 1946 N PRO A 125 -13.045 -4.865 1.362 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.460 -4.839 1.758 1.00 0.00 C ATOM 1948 C PRO A 125 -14.841 -6.176 2.362 1.00 0.00 C ATOM 1949 O PRO A 125 -15.293 -6.258 3.487 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.241 -4.531 0.460 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.191 -4.209 -0.641 1.00 0.00 C ATOM 1952 CD PRO A 125 -12.792 -4.299 0.013 1.00 0.00 C ATOM 0 HA PRO A 125 -14.681 -4.090 2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -15.855 -5.383 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -15.915 -3.687 0.607 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.274 -4.914 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.359 -3.214 -1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.124 -4.937 -0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.320 -3.318 0.077 1.00 0.00 H new ATOM 1960 N GLY A 126 -14.658 -7.224 1.623 1.00 0.00 N ATOM 1961 CA GLY A 126 -15.003 -8.569 2.144 1.00 0.00 C ATOM 1962 C GLY A 126 -13.750 -9.255 2.693 1.00 0.00 C ATOM 1963 O GLY A 126 -13.453 -10.369 2.314 1.00 0.00 O ATOM 0 H GLY A 126 -14.282 -7.209 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -15.754 -8.482 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.441 -9.174 1.350 1.00 0.00 H new ATOM 1967 N SER A 127 -13.097 -8.656 3.675 1.00 0.00 N ATOM 1968 CA SER A 127 -11.930 -9.367 4.325 1.00 0.00 C ATOM 1969 C SER A 127 -11.184 -8.536 5.392 1.00 0.00 C ATOM 1970 O SER A 127 -10.465 -9.114 6.181 1.00 0.00 O ATOM 1971 CB SER A 127 -10.888 -9.862 3.294 1.00 0.00 C ATOM 1972 OG SER A 127 -10.283 -11.051 3.783 1.00 0.00 O ATOM 0 H SER A 127 -13.313 -7.731 4.047 1.00 0.00 H new ATOM 0 HA SER A 127 -12.404 -10.213 4.823 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.369 -10.051 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.131 -9.096 3.126 1.00 0.00 H new ATOM 0 HG SER A 127 -10.069 -10.942 4.733 1.00 0.00 H new ATOM 1978 N ALA A 128 -11.308 -7.231 5.464 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.529 -6.520 6.537 1.00 0.00 C ATOM 1980 C ALA A 128 -10.815 -5.009 6.573 1.00 0.00 C ATOM 1981 O ALA A 128 -9.966 -4.206 6.250 1.00 0.00 O ATOM 1982 CB ALA A 128 -9.026 -6.737 6.295 1.00 0.00 C ATOM 0 H ALA A 128 -11.885 -6.647 4.859 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.839 -6.937 7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.455 -6.224 7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.803 -7.803 6.326 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.753 -6.337 5.318 1.00 0.00 H new ATOM 1988 N LYS A 129 -11.969 -4.620 7.037 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.249 -3.162 7.147 1.00 0.00 C ATOM 1990 C LYS A 129 -13.554 -2.893 7.902 1.00 0.00 C ATOM 1991 O LYS A 129 -13.907 -3.562 8.853 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.336 -2.543 5.734 1.00 0.00 C ATOM 1993 CG LYS A 129 -13.512 -3.134 4.913 1.00 0.00 C ATOM 1994 CD LYS A 129 -14.386 -1.997 4.338 1.00 0.00 C ATOM 1995 CE LYS A 129 -13.568 -1.123 3.361 1.00 0.00 C ATOM 1996 NZ LYS A 129 -14.116 -1.283 1.984 1.00 0.00 N ATOM 0 H LYS A 129 -12.721 -5.238 7.341 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.433 -2.706 7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -12.459 -1.463 5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -11.400 -2.717 5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -13.125 -3.751 4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -14.117 -3.783 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -15.248 -2.419 3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -14.771 -1.381 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -13.614 -0.077 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -12.518 -1.416 3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -13.648 -0.610 1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -13.943 -2.253 1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -15.139 -1.098 1.994 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.257 -1.902 7.448 1.00 0.00 N ATOM 2011 CA ASP A 130 -15.552 -1.509 8.059 1.00 0.00 C ATOM 2012 C ASP A 130 -16.265 -0.535 7.102 1.00 0.00 C ATOM 2013 O ASP A 130 -16.140 0.664 7.258 1.00 0.00 O ATOM 2014 CB ASP A 130 -15.282 -0.799 9.389 1.00 0.00 C ATOM 2015 CG ASP A 130 -16.606 -0.538 10.109 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -17.316 -1.496 10.369 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -16.888 0.616 10.389 1.00 0.00 O ATOM 0 H ASP A 130 -13.979 -1.328 6.652 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.172 -2.389 8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -14.631 -1.411 10.014 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -14.761 0.142 9.211 1.00 0.00 H new ATOM 2022 N PRO A 131 -16.975 -1.061 6.121 1.00 0.00 N ATOM 2023 CA PRO A 131 -17.677 -0.231 5.127 1.00 0.00 C ATOM 2024 C PRO A 131 -19.051 0.144 5.683 1.00 0.00 C ATOM 2025 O PRO A 131 -19.572 1.209 5.419 1.00 0.00 O ATOM 2026 CB PRO A 131 -17.836 -1.169 3.923 1.00 0.00 C ATOM 2027 CG PRO A 131 -17.844 -2.606 4.515 1.00 0.00 C ATOM 2028 CD PRO A 131 -17.158 -2.516 5.902 1.00 0.00 C ATOM 0 HA PRO A 131 -17.155 0.692 4.875 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -18.760 -0.962 3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -17.017 -1.041 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -18.863 -2.980 4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -17.310 -3.297 3.863 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -17.775 -2.962 6.682 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -16.204 -3.043 5.910 1.00 0.00 H new