USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=21 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 56 GLN : amide:sc= -2.88! C(o=-2!,f=-2!) USER MOD Set 1.2: A 60 GLN : amide:sc= 0.916 X(o=-2,f=-2) USER MOD Set 2.1: A 53 LYS NZ :NH3+ 143:sc= 1.11 (180deg=0) USER MOD Set 2.2: A 102 ASN : amide:sc= 0.108 K(o=1.2,f=-6.9!) 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+ -107:sc= -1.25 (180deg=-1.78!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.441 X(o=0.44,f=-0.057) USER MOD Single : A 34 SER OG : rot 170:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.23) USER MOD Single : A 38 MET CE :methyl 172:sc=-0.000621 (180deg=-0.157) USER MOD Single : A 39 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.24) USER MOD Single : A 40 THR OG1 : rot 77:sc= 1.38 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.0644 X(o=-0.064,f=-0.28) USER MOD Single : A 51 THR OG1 : rot -160:sc= 0.097 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot -90:sc= -0.366 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.213 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -1.51! X(o=-1.5!,f=-1.9) USER MOD Single : A 72 HIS : no HD1:sc= -0.571 K(o=-0.57,f=-1.9) USER MOD Single : A 73 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.098 X(o=-0.098,f=-0.54) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -47:sc= -2.12! USER MOD Single : A 84 THR OG1 : rot 99:sc= -0.582 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -2.73! C(o=-2.7!,f=-7.3!) USER MOD Single : A 100 GLN : amide:sc= -14.8! C(o=-15!,f=-12!) USER MOD Single : A 103 ASN : amide:sc= -5.73! C(o=-5.7!,f=-12!) USER MOD Single : A 105 GLN : amide:sc= -0.749 K(o=-0.75,f=-0.13) USER MOD Single : A 106 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.5!) USER MOD Single : A 107 GLN : amide:sc= -1.89 K(o=-1.9,f=-5.3!) USER MOD Single : A 113 TYR OH : rot -30:sc= -1.15 USER MOD Single : A 114 GLN : amide:sc= -3.93! C(o=-3.9!,f=-3.4!) USER MOD Single : A 115 GLN : amide:sc= -0.0275 K(o=-0.027,f=-1.5!) USER MOD Single : A 127 SER OG : rot 55:sc= 1.19 USER MOD Single : A 129 LYS NZ :NH3+ 143:sc= -4.91! (180deg=-7.65!) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 18 -3.146 16.752 -0.943 1.00 0.00 N ATOM 271 CA LYS A 18 -4.409 17.173 -1.620 1.00 0.00 C ATOM 272 C LYS A 18 -4.719 16.188 -2.746 1.00 0.00 C ATOM 273 O LYS A 18 -5.787 16.206 -3.330 1.00 0.00 O ATOM 274 CB LYS A 18 -4.277 18.609 -2.175 1.00 0.00 C ATOM 275 CG LYS A 18 -3.376 18.665 -3.431 1.00 0.00 C ATOM 276 CD LYS A 18 -3.506 20.040 -4.108 1.00 0.00 C ATOM 277 CE LYS A 18 -3.394 21.166 -3.075 1.00 0.00 C ATOM 278 NZ LYS A 18 -3.123 22.454 -3.775 1.00 0.00 N ATOM 0 HA LYS A 18 -5.226 17.170 -0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.266 18.995 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.864 19.259 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.338 18.484 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.661 17.878 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.728 20.154 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.464 20.107 -4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.317 21.239 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.593 20.948 -2.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.047 23.220 -3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.232 22.380 -4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.901 22.662 -4.433 1.00 0.00 H new ATOM 292 N ASP A 19 -3.795 15.307 -3.034 1.00 0.00 N ATOM 293 CA ASP A 19 -4.030 14.294 -4.112 1.00 0.00 C ATOM 294 C ASP A 19 -4.498 12.988 -3.471 1.00 0.00 C ATOM 295 O ASP A 19 -5.378 12.320 -3.986 1.00 0.00 O ATOM 296 CB ASP A 19 -2.748 14.068 -4.917 1.00 0.00 C ATOM 297 CG ASP A 19 -3.031 13.104 -6.070 1.00 0.00 C ATOM 298 OD1 ASP A 19 -3.545 12.030 -5.805 1.00 0.00 O ATOM 299 OD2 ASP A 19 -2.728 13.455 -7.199 1.00 0.00 O ATOM 0 H ASP A 19 -2.888 15.244 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.797 14.657 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.378 15.017 -5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.968 13.662 -4.273 1.00 0.00 H new ATOM 304 N LEU A 20 -3.982 12.636 -2.324 1.00 0.00 N ATOM 305 CA LEU A 20 -4.483 11.400 -1.674 1.00 0.00 C ATOM 306 C LEU A 20 -5.881 11.714 -1.154 1.00 0.00 C ATOM 307 O LEU A 20 -6.699 10.840 -0.948 1.00 0.00 O ATOM 308 CB LEU A 20 -3.556 10.971 -0.533 1.00 0.00 C ATOM 309 CG LEU A 20 -2.095 11.151 -0.964 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.171 10.520 0.079 1.00 0.00 C ATOM 311 CD2 LEU A 20 -1.867 10.468 -2.318 1.00 0.00 C ATOM 0 H LEU A 20 -3.252 13.140 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.511 10.571 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.759 11.566 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.743 9.930 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.877 12.215 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.133 10.649 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.326 11.004 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.394 9.457 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.828 10.598 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.089 9.404 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.522 10.915 -3.066 1.00 0.00 H new ATOM 323 N GLN A 21 -6.182 12.976 -0.987 1.00 0.00 N ATOM 324 CA GLN A 21 -7.543 13.357 -0.545 1.00 0.00 C ATOM 325 C GLN A 21 -8.450 13.180 -1.758 1.00 0.00 C ATOM 326 O GLN A 21 -9.538 12.650 -1.670 1.00 0.00 O ATOM 327 CB GLN A 21 -7.548 14.820 -0.095 1.00 0.00 C ATOM 328 CG GLN A 21 -8.932 15.193 0.437 1.00 0.00 C ATOM 329 CD GLN A 21 -8.907 16.631 0.958 1.00 0.00 C ATOM 330 OE1 GLN A 21 -8.906 16.858 2.151 1.00 0.00 O ATOM 331 NE2 GLN A 21 -8.883 17.620 0.106 1.00 0.00 N ATOM 0 H GLN A 21 -5.540 13.754 -1.139 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.879 12.747 0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.797 14.974 0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.283 15.468 -0.930 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -9.676 15.094 -0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.223 14.510 1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.884 17.430 -0.896 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.863 18.583 0.443 1.00 0.00 H new ATOM 340 N ALA A 22 -7.976 13.594 -2.910 1.00 0.00 N ATOM 341 CA ALA A 22 -8.771 13.422 -4.158 1.00 0.00 C ATOM 342 C ALA A 22 -9.317 11.993 -4.191 1.00 0.00 C ATOM 343 O ALA A 22 -10.428 11.734 -4.633 1.00 0.00 O ATOM 344 CB ALA A 22 -7.858 13.636 -5.368 1.00 0.00 C ATOM 0 H ALA A 22 -7.069 14.044 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.590 14.141 -4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.434 13.511 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.441 14.642 -5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.048 12.907 -5.346 1.00 0.00 H new ATOM 350 N ILE A 23 -8.560 11.061 -3.665 1.00 0.00 N ATOM 351 CA ILE A 23 -9.060 9.664 -3.624 1.00 0.00 C ATOM 352 C ILE A 23 -10.269 9.656 -2.680 1.00 0.00 C ATOM 353 O ILE A 23 -11.374 9.379 -3.102 1.00 0.00 O ATOM 354 CB ILE A 23 -7.939 8.704 -3.153 1.00 0.00 C ATOM 355 CG1 ILE A 23 -7.091 8.275 -4.371 1.00 0.00 C ATOM 356 CG2 ILE A 23 -8.539 7.458 -2.475 1.00 0.00 C ATOM 357 CD1 ILE A 23 -6.435 9.509 -4.994 1.00 0.00 C ATOM 0 H ILE A 23 -7.632 11.210 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.361 9.314 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.312 9.223 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.328 7.560 -4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.719 7.773 -5.107 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.735 6.797 -2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.128 7.763 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.179 6.931 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.836 9.208 -5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.207 10.208 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.794 9.992 -4.256 1.00 0.00 H new ATOM 369 N LYS A 24 -10.089 10.008 -1.422 1.00 0.00 N ATOM 370 CA LYS A 24 -11.250 10.079 -0.472 1.00 0.00 C ATOM 371 C LYS A 24 -12.476 10.674 -1.164 1.00 0.00 C ATOM 372 O LYS A 24 -13.563 10.162 -1.028 1.00 0.00 O ATOM 373 CB LYS A 24 -10.872 10.967 0.718 1.00 0.00 C ATOM 374 CG LYS A 24 -9.907 10.209 1.636 1.00 0.00 C ATOM 375 CD LYS A 24 -9.492 11.104 2.817 1.00 0.00 C ATOM 376 CE LYS A 24 -10.549 11.047 3.927 1.00 0.00 C ATOM 377 NZ LYS A 24 -10.751 9.633 4.354 1.00 0.00 N ATOM 0 H LYS A 24 -9.186 10.249 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.488 9.070 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.407 11.888 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.767 11.253 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.382 9.301 2.007 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.025 9.901 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.528 10.779 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.368 12.132 2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.232 11.652 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.489 11.467 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.666 9.290 3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.987 9.042 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.741 9.579 5.393 1.00 0.00 H new ATOM 391 N GLN A 25 -12.347 11.754 -1.868 1.00 0.00 N ATOM 392 CA GLN A 25 -13.558 12.345 -2.509 1.00 0.00 C ATOM 393 C GLN A 25 -14.368 11.233 -3.205 1.00 0.00 C ATOM 394 O GLN A 25 -15.597 11.170 -3.184 1.00 0.00 O ATOM 395 CB GLN A 25 -13.111 13.355 -3.567 1.00 0.00 C ATOM 396 CG GLN A 25 -12.299 14.468 -2.901 1.00 0.00 C ATOM 397 CD GLN A 25 -12.138 15.635 -3.877 1.00 0.00 C ATOM 398 OE1 GLN A 25 -11.791 15.439 -5.024 1.00 0.00 O ATOM 399 NE2 GLN A 25 -12.378 16.851 -3.466 1.00 0.00 N ATOM 0 H GLN A 25 -11.472 12.252 -2.030 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.173 12.830 -1.751 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.510 12.858 -4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.980 13.777 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.800 14.805 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.321 14.091 -2.604 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.669 17.015 -2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.274 17.636 -4.109 1.00 0.00 H new ATOM 408 N GLU A 26 -13.645 10.352 -3.852 1.00 0.00 N ATOM 409 CA GLU A 26 -14.292 9.242 -4.608 1.00 0.00 C ATOM 410 C GLU A 26 -14.466 7.962 -3.763 1.00 0.00 C ATOM 411 O GLU A 26 -15.280 7.111 -4.105 1.00 0.00 O ATOM 412 CB GLU A 26 -13.438 8.930 -5.842 1.00 0.00 C ATOM 413 CG GLU A 26 -13.676 9.989 -6.923 1.00 0.00 C ATOM 414 CD GLU A 26 -15.053 9.776 -7.553 1.00 0.00 C ATOM 415 OE1 GLU A 26 -15.354 8.647 -7.904 1.00 0.00 O ATOM 416 OE2 GLU A 26 -15.783 10.746 -7.675 1.00 0.00 O ATOM 0 H GLU A 26 -12.626 10.357 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.292 9.570 -4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.383 8.908 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.688 7.942 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.614 10.987 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.901 9.924 -7.687 1.00 0.00 H new ATOM 423 N VAL A 27 -13.781 7.790 -2.649 1.00 0.00 N ATOM 424 CA VAL A 27 -14.045 6.536 -1.886 1.00 0.00 C ATOM 425 C VAL A 27 -15.500 6.641 -1.453 1.00 0.00 C ATOM 426 O VAL A 27 -16.236 5.682 -1.325 1.00 0.00 O ATOM 427 CB VAL A 27 -13.133 6.393 -0.650 1.00 0.00 C ATOM 428 CG1 VAL A 27 -11.679 6.666 -1.052 1.00 0.00 C ATOM 429 CG2 VAL A 27 -13.571 7.334 0.488 1.00 0.00 C ATOM 0 H VAL A 27 -13.089 8.429 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.843 5.660 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.217 5.373 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.035 6.565 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.372 5.950 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.595 7.677 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.906 7.206 1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.525 8.367 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.592 7.096 0.784 1.00 0.00 H new ATOM 439 N SER A 28 -15.890 7.886 -1.285 1.00 0.00 N ATOM 440 CA SER A 28 -17.285 8.212 -0.915 1.00 0.00 C ATOM 441 C SER A 28 -18.118 7.683 -2.059 1.00 0.00 C ATOM 442 O SER A 28 -18.768 6.681 -1.917 1.00 0.00 O ATOM 443 CB SER A 28 -17.464 9.723 -0.771 1.00 0.00 C ATOM 444 OG SER A 28 -16.747 10.171 0.372 1.00 0.00 O ATOM 0 H SER A 28 -15.280 8.696 -1.394 1.00 0.00 H new ATOM 0 HA SER A 28 -17.572 7.774 0.041 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.102 10.231 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 28 -18.521 9.968 -0.671 1.00 0.00 H new ATOM 0 HG SER A 28 -16.857 11.140 0.468 1.00 0.00 H new ATOM 450 N GLN A 29 -18.067 8.361 -3.196 1.00 0.00 N ATOM 451 CA GLN A 29 -18.816 7.915 -4.437 1.00 0.00 C ATOM 452 C GLN A 29 -19.424 6.509 -4.288 1.00 0.00 C ATOM 453 O GLN A 29 -20.597 6.285 -4.516 1.00 0.00 O ATOM 454 CB GLN A 29 -17.803 7.823 -5.586 1.00 0.00 C ATOM 455 CG GLN A 29 -18.538 7.666 -6.925 1.00 0.00 C ATOM 456 CD GLN A 29 -19.239 8.979 -7.286 1.00 0.00 C ATOM 457 OE1 GLN A 29 -20.434 9.112 -7.111 1.00 0.00 O ATOM 458 NE2 GLN A 29 -18.541 9.963 -7.785 1.00 0.00 N ATOM 0 H GLN A 29 -17.529 9.219 -3.319 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.618 8.633 -4.613 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.182 8.718 -5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -17.136 6.976 -5.427 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -17.832 7.392 -7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.268 6.859 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.538 9.853 -7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.999 10.842 -8.027 1.00 0.00 H new ATOM 467 N ALA A 30 -18.588 5.559 -3.920 1.00 0.00 N ATOM 468 CA ALA A 30 -19.045 4.134 -3.762 1.00 0.00 C ATOM 469 C ALA A 30 -19.675 3.879 -2.390 1.00 0.00 C ATOM 470 O ALA A 30 -19.991 4.777 -1.639 1.00 0.00 O ATOM 471 CB ALA A 30 -17.835 3.202 -3.903 1.00 0.00 C ATOM 0 H ALA A 30 -17.599 5.712 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 30 -19.794 3.944 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.158 2.167 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.385 3.336 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.101 3.440 -3.133 1.00 0.00 H new ATOM 477 N ALA A 31 -19.841 2.627 -2.068 1.00 0.00 N ATOM 478 CA ALA A 31 -20.420 2.242 -0.753 1.00 0.00 C ATOM 479 C ALA A 31 -19.277 2.288 0.277 1.00 0.00 C ATOM 480 O ALA A 31 -18.133 2.428 -0.106 1.00 0.00 O ATOM 481 CB ALA A 31 -21.006 0.816 -0.887 1.00 0.00 C ATOM 0 H ALA A 31 -19.595 1.842 -2.671 1.00 0.00 H new ATOM 0 HA ALA A 31 -21.218 2.912 -0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -21.438 0.509 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -21.780 0.811 -1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -20.214 0.122 -1.167 1.00 0.00 H new ATOM 487 N PRO A 32 -19.591 2.175 1.547 1.00 0.00 N ATOM 488 CA PRO A 32 -18.546 2.214 2.584 1.00 0.00 C ATOM 489 C PRO A 32 -17.420 1.234 2.214 1.00 0.00 C ATOM 490 O PRO A 32 -17.511 0.049 2.464 1.00 0.00 O ATOM 491 CB PRO A 32 -19.271 1.810 3.888 1.00 0.00 C ATOM 492 CG PRO A 32 -20.797 1.772 3.577 1.00 0.00 C ATOM 493 CD PRO A 32 -20.968 1.996 2.055 1.00 0.00 C ATOM 0 HA PRO A 32 -18.075 3.191 2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.925 0.836 4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.059 2.525 4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -21.225 0.815 3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -21.322 2.544 4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -21.458 1.145 1.582 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.583 2.872 1.850 1.00 0.00 H new ATOM 501 N GLY A 33 -16.366 1.721 1.604 1.00 0.00 N ATOM 502 CA GLY A 33 -15.246 0.819 1.207 1.00 0.00 C ATOM 503 C GLY A 33 -15.565 0.198 -0.149 1.00 0.00 C ATOM 504 O GLY A 33 -15.492 0.843 -1.176 1.00 0.00 O ATOM 0 H GLY A 33 -16.236 2.704 1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.312 1.379 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.108 0.039 1.955 1.00 0.00 H new ATOM 508 N SER A 34 -15.953 -1.044 -0.151 1.00 0.00 N ATOM 509 CA SER A 34 -16.324 -1.724 -1.420 1.00 0.00 C ATOM 510 C SER A 34 -15.102 -1.786 -2.369 1.00 0.00 C ATOM 511 O SER A 34 -14.135 -1.083 -2.152 1.00 0.00 O ATOM 512 CB SER A 34 -17.473 -0.918 -2.057 1.00 0.00 C ATOM 513 OG SER A 34 -17.052 -0.363 -3.298 1.00 0.00 O ATOM 0 H SER A 34 -16.030 -1.625 0.684 1.00 0.00 H new ATOM 0 HA SER A 34 -16.644 -2.749 -1.232 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.337 -1.563 -2.213 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.787 -0.122 -1.382 1.00 0.00 H new ATOM 0 HG SER A 34 -17.827 0.008 -3.770 1.00 0.00 H new ATOM 519 N PRO A 35 -15.179 -2.604 -3.404 1.00 0.00 N ATOM 520 CA PRO A 35 -14.075 -2.726 -4.387 1.00 0.00 C ATOM 521 C PRO A 35 -13.729 -1.351 -4.972 1.00 0.00 C ATOM 522 O PRO A 35 -12.574 -0.994 -5.091 1.00 0.00 O ATOM 523 CB PRO A 35 -14.625 -3.668 -5.487 1.00 0.00 C ATOM 524 CG PRO A 35 -16.031 -4.155 -5.028 1.00 0.00 C ATOM 525 CD PRO A 35 -16.354 -3.459 -3.686 1.00 0.00 C ATOM 0 HA PRO A 35 -13.161 -3.114 -3.938 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.693 -3.145 -6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.956 -4.515 -5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.784 -3.910 -5.777 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.041 -5.238 -4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.265 -2.865 -3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.511 -4.188 -2.891 1.00 0.00 H new ATOM 533 N GLN A 36 -14.721 -0.596 -5.347 1.00 0.00 N ATOM 534 CA GLN A 36 -14.482 0.755 -5.941 1.00 0.00 C ATOM 535 C GLN A 36 -13.313 1.465 -5.250 1.00 0.00 C ATOM 536 O GLN A 36 -12.577 2.219 -5.864 1.00 0.00 O ATOM 537 CB GLN A 36 -15.736 1.593 -5.742 1.00 0.00 C ATOM 538 CG GLN A 36 -16.877 1.029 -6.591 1.00 0.00 C ATOM 539 CD GLN A 36 -16.597 1.300 -8.070 1.00 0.00 C ATOM 540 OE1 GLN A 36 -16.091 0.446 -8.771 1.00 0.00 O ATOM 541 NE2 GLN A 36 -16.905 2.462 -8.578 1.00 0.00 N ATOM 0 H GLN A 36 -15.703 -0.858 -5.267 1.00 0.00 H new ATOM 0 HA GLN A 36 -14.243 0.636 -6.998 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.020 1.595 -4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.540 2.628 -6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -16.976 -0.043 -6.420 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -17.822 1.487 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -17.330 3.179 -7.990 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.721 2.653 -9.563 1.00 0.00 H new ATOM 550 N PHE A 37 -13.144 1.253 -3.972 1.00 0.00 N ATOM 551 CA PHE A 37 -12.044 1.940 -3.249 1.00 0.00 C ATOM 552 C PHE A 37 -10.744 1.728 -4.039 1.00 0.00 C ATOM 553 O PHE A 37 -10.073 2.640 -4.482 1.00 0.00 O ATOM 554 CB PHE A 37 -11.910 1.287 -1.869 1.00 0.00 C ATOM 555 CG PHE A 37 -11.218 2.213 -0.867 1.00 0.00 C ATOM 556 CD1 PHE A 37 -10.396 3.287 -1.279 1.00 0.00 C ATOM 557 CD2 PHE A 37 -11.399 1.978 0.503 1.00 0.00 C ATOM 558 CE1 PHE A 37 -9.775 4.102 -0.325 1.00 0.00 C ATOM 559 CE2 PHE A 37 -10.776 2.800 1.452 1.00 0.00 C ATOM 560 CZ PHE A 37 -9.965 3.859 1.037 1.00 0.00 C ATOM 0 H PHE A 37 -13.721 0.634 -3.402 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.244 3.006 -3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -12.899 1.021 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -11.343 0.360 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.247 3.479 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.022 1.159 0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -9.147 4.921 -0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.923 2.614 2.506 1.00 0.00 H new ATOM 0 HZ PHE A 37 -9.485 4.490 1.770 1.00 0.00 H new ATOM 570 N MET A 38 -10.430 0.462 -4.201 1.00 0.00 N ATOM 571 CA MET A 38 -9.214 0.033 -4.943 1.00 0.00 C ATOM 572 C MET A 38 -9.128 0.764 -6.274 1.00 0.00 C ATOM 573 O MET A 38 -8.067 1.171 -6.688 1.00 0.00 O ATOM 574 CB MET A 38 -9.261 -1.478 -5.202 1.00 0.00 C ATOM 575 CG MET A 38 -8.069 -1.895 -6.091 1.00 0.00 C ATOM 576 SD MET A 38 -8.570 -1.850 -7.832 1.00 0.00 S ATOM 577 CE MET A 38 -7.249 -2.902 -8.481 1.00 0.00 C ATOM 0 H MET A 38 -10.988 -0.309 -3.835 1.00 0.00 H new ATOM 0 HA MET A 38 -8.338 0.272 -4.340 1.00 0.00 H new ATOM 0 HB2 MET A 38 -9.228 -2.019 -4.256 1.00 0.00 H new ATOM 0 HB3 MET A 38 -10.200 -1.744 -5.689 1.00 0.00 H new ATOM 0 HG2 MET A 38 -7.226 -1.224 -5.926 1.00 0.00 H new ATOM 0 HG3 MET A 38 -7.735 -2.897 -5.823 1.00 0.00 H new ATOM 0 HE1 MET A 38 -7.445 -3.127 -9.529 1.00 0.00 H new ATOM 0 HE2 MET A 38 -6.294 -2.383 -8.393 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.211 -3.831 -7.912 1.00 0.00 H new ATOM 587 N GLN A 39 -10.230 0.949 -6.943 1.00 0.00 N ATOM 588 CA GLN A 39 -10.204 1.669 -8.246 1.00 0.00 C ATOM 589 C GLN A 39 -9.353 2.932 -8.094 1.00 0.00 C ATOM 590 O GLN A 39 -8.487 3.238 -8.891 1.00 0.00 O ATOM 591 CB GLN A 39 -11.645 2.050 -8.605 1.00 0.00 C ATOM 592 CG GLN A 39 -11.736 2.368 -10.096 1.00 0.00 C ATOM 593 CD GLN A 39 -11.612 1.074 -10.903 1.00 0.00 C ATOM 594 OE1 GLN A 39 -10.636 0.867 -11.597 1.00 0.00 O ATOM 595 NE2 GLN A 39 -12.567 0.186 -10.841 1.00 0.00 N ATOM 0 H GLN A 39 -11.152 0.631 -6.643 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.779 1.043 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.321 1.232 -8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -11.960 2.913 -8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.685 2.857 -10.317 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.945 3.063 -10.379 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.387 0.358 -10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.493 -0.680 -11.375 1.00 0.00 H new ATOM 604 N THR A 40 -9.608 3.653 -7.044 1.00 0.00 N ATOM 605 CA THR A 40 -8.851 4.897 -6.755 1.00 0.00 C ATOM 606 C THR A 40 -7.460 4.541 -6.204 1.00 0.00 C ATOM 607 O THR A 40 -6.490 5.167 -6.587 1.00 0.00 O ATOM 608 CB THR A 40 -9.665 5.728 -5.753 1.00 0.00 C ATOM 609 OG1 THR A 40 -10.806 4.977 -5.362 1.00 0.00 O ATOM 610 CG2 THR A 40 -10.131 7.039 -6.371 1.00 0.00 C ATOM 0 H THR A 40 -10.327 3.427 -6.357 1.00 0.00 H new ATOM 0 HA THR A 40 -8.700 5.483 -7.661 1.00 0.00 H new ATOM 0 HB THR A 40 -9.032 5.956 -4.896 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.539 4.288 -4.718 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.704 7.604 -5.636 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.265 7.623 -6.682 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.758 6.830 -7.238 1.00 0.00 H new ATOM 618 N ILE A 41 -7.302 3.563 -5.371 1.00 0.00 N ATOM 619 CA ILE A 41 -5.909 3.251 -4.921 1.00 0.00 C ATOM 620 C ILE A 41 -5.209 2.513 -6.058 1.00 0.00 C ATOM 621 O ILE A 41 -4.021 2.269 -6.018 1.00 0.00 O ATOM 622 CB ILE A 41 -5.918 2.402 -3.648 1.00 0.00 C ATOM 623 CG1 ILE A 41 -6.723 3.131 -2.551 1.00 0.00 C ATOM 624 CG2 ILE A 41 -4.479 2.154 -3.183 1.00 0.00 C ATOM 625 CD1 ILE A 41 -5.842 4.158 -1.816 1.00 0.00 C ATOM 0 H ILE A 41 -8.043 2.977 -4.987 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.378 4.173 -4.683 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.389 1.440 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.581 3.634 -2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.115 2.405 -1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.489 1.549 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.930 1.628 -3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.994 3.108 -2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.431 4.659 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.999 3.647 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.472 4.896 -2.528 1.00 0.00 H new ATOM 637 N ARG A 42 -5.935 2.189 -7.092 1.00 0.00 N ATOM 638 CA ARG A 42 -5.311 1.500 -8.250 1.00 0.00 C ATOM 639 C ARG A 42 -4.513 2.518 -9.056 1.00 0.00 C ATOM 640 O ARG A 42 -3.397 2.263 -9.462 1.00 0.00 O ATOM 641 CB ARG A 42 -6.387 0.916 -9.161 1.00 0.00 C ATOM 642 CG ARG A 42 -5.735 0.039 -10.234 1.00 0.00 C ATOM 643 CD ARG A 42 -6.802 -0.442 -11.219 1.00 0.00 C ATOM 644 NE ARG A 42 -6.163 -1.272 -12.279 1.00 0.00 N ATOM 645 CZ ARG A 42 -6.900 -2.025 -13.050 1.00 0.00 C ATOM 646 NH1 ARG A 42 -8.195 -2.050 -12.891 1.00 0.00 N ATOM 647 NH2 ARG A 42 -6.342 -2.752 -13.978 1.00 0.00 N ATOM 0 H ARG A 42 -6.934 2.373 -7.183 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.669 0.700 -7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.092 0.327 -8.575 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.955 1.719 -9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.966 0.603 -10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.242 -0.815 -9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.560 -1.024 -10.695 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.309 0.412 -11.668 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.151 -1.252 -12.402 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.631 -1.482 -12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.771 -2.638 -13.493 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.330 -2.732 -14.101 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.918 -3.340 -14.580 1.00 0.00 H new ATOM 661 N LEU A 43 -5.082 3.672 -9.311 1.00 0.00 N ATOM 662 CA LEU A 43 -4.359 4.700 -10.118 1.00 0.00 C ATOM 663 C LEU A 43 -3.518 5.597 -9.213 1.00 0.00 C ATOM 664 O LEU A 43 -2.629 6.278 -9.671 1.00 0.00 O ATOM 665 CB LEU A 43 -5.374 5.569 -10.867 1.00 0.00 C ATOM 666 CG LEU A 43 -6.311 4.687 -11.700 1.00 0.00 C ATOM 667 CD1 LEU A 43 -7.476 5.536 -12.215 1.00 0.00 C ATOM 668 CD2 LEU A 43 -5.552 4.084 -12.891 1.00 0.00 C ATOM 0 H LEU A 43 -6.013 3.944 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.705 4.188 -10.824 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.953 6.159 -10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.853 6.273 -11.516 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.689 3.877 -11.076 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.146 4.913 -12.808 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.023 5.954 -11.370 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.090 6.346 -12.834 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.228 3.460 -13.475 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.165 4.886 -13.519 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.723 3.478 -12.525 1.00 0.00 H new ATOM 680 N ALA A 44 -3.763 5.602 -7.933 1.00 0.00 N ATOM 681 CA ALA A 44 -2.928 6.469 -7.037 1.00 0.00 C ATOM 682 C ALA A 44 -1.667 5.706 -6.623 1.00 0.00 C ATOM 683 O ALA A 44 -0.579 6.245 -6.680 1.00 0.00 O ATOM 684 CB ALA A 44 -3.728 6.904 -5.807 1.00 0.00 C ATOM 0 H ALA A 44 -4.490 5.057 -7.469 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.638 7.369 -7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.104 7.532 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.605 7.467 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.045 6.023 -5.249 1.00 0.00 H new ATOM 690 N VAL A 45 -1.765 4.473 -6.231 1.00 0.00 N ATOM 691 CA VAL A 45 -0.529 3.739 -5.856 1.00 0.00 C ATOM 692 C VAL A 45 0.199 3.313 -7.138 1.00 0.00 C ATOM 693 O VAL A 45 1.394 3.119 -7.141 1.00 0.00 O ATOM 694 CB VAL A 45 -0.894 2.509 -5.005 1.00 0.00 C ATOM 695 CG1 VAL A 45 0.273 1.513 -4.979 1.00 0.00 C ATOM 696 CG2 VAL A 45 -1.206 2.958 -3.570 1.00 0.00 C ATOM 0 H VAL A 45 -2.634 3.945 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 45 0.126 4.381 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.766 2.023 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.000 0.649 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.497 1.188 -5.995 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.152 1.994 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.465 2.089 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.331 3.449 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.044 3.655 -3.581 1.00 0.00 H new ATOM 706 N GLN A 46 -0.494 3.182 -8.237 1.00 0.00 N ATOM 707 CA GLN A 46 0.198 2.776 -9.494 1.00 0.00 C ATOM 708 C GLN A 46 0.812 4.002 -10.174 1.00 0.00 C ATOM 709 O GLN A 46 1.673 3.881 -11.022 1.00 0.00 O ATOM 710 CB GLN A 46 -0.810 2.133 -10.449 1.00 0.00 C ATOM 711 CG GLN A 46 -0.078 1.613 -11.688 1.00 0.00 C ATOM 712 CD GLN A 46 -1.038 0.779 -12.539 1.00 0.00 C ATOM 713 OE1 GLN A 46 -1.158 -0.414 -12.346 1.00 0.00 O ATOM 714 NE2 GLN A 46 -1.731 1.361 -13.479 1.00 0.00 N ATOM 0 H GLN A 46 -1.499 3.337 -8.319 1.00 0.00 H new ATOM 0 HA GLN A 46 0.985 2.063 -9.248 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.329 1.315 -9.950 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.567 2.861 -10.740 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.309 2.448 -12.271 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.779 1.008 -11.390 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.630 2.363 -13.641 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.374 0.814 -14.052 1.00 0.00 H new ATOM 723 N GLN A 47 0.364 5.185 -9.834 1.00 0.00 N ATOM 724 CA GLN A 47 0.916 6.405 -10.498 1.00 0.00 C ATOM 725 C GLN A 47 2.143 6.928 -9.752 1.00 0.00 C ATOM 726 O GLN A 47 3.249 6.913 -10.256 1.00 0.00 O ATOM 727 CB GLN A 47 -0.163 7.500 -10.512 1.00 0.00 C ATOM 728 CG GLN A 47 -1.182 7.211 -11.626 1.00 0.00 C ATOM 729 CD GLN A 47 -0.601 7.629 -12.979 1.00 0.00 C ATOM 730 OE1 GLN A 47 0.001 6.829 -13.667 1.00 0.00 O ATOM 731 NE2 GLN A 47 -0.758 8.857 -13.392 1.00 0.00 N ATOM 0 H GLN A 47 -0.354 5.358 -9.131 1.00 0.00 H new ATOM 0 HA GLN A 47 1.211 6.143 -11.514 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.667 7.539 -9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.297 8.475 -10.671 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.430 6.150 -11.638 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.108 7.753 -11.434 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.263 9.529 -12.814 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.375 9.145 -14.293 1.00 0.00 H new ATOM 740 N PHE A 48 1.942 7.419 -8.559 1.00 0.00 N ATOM 741 CA PHE A 48 3.075 7.980 -7.774 1.00 0.00 C ATOM 742 C PHE A 48 3.816 6.869 -7.030 1.00 0.00 C ATOM 743 O PHE A 48 4.808 7.131 -6.382 1.00 0.00 O ATOM 744 CB PHE A 48 2.534 8.984 -6.753 1.00 0.00 C ATOM 745 CG PHE A 48 1.788 10.089 -7.464 1.00 0.00 C ATOM 746 CD1 PHE A 48 0.422 9.949 -7.737 1.00 0.00 C ATOM 747 CD2 PHE A 48 2.462 11.257 -7.843 1.00 0.00 C ATOM 748 CE1 PHE A 48 -0.270 10.977 -8.391 1.00 0.00 C ATOM 749 CE2 PHE A 48 1.770 12.283 -8.497 1.00 0.00 C ATOM 750 CZ PHE A 48 0.404 12.143 -8.771 1.00 0.00 C ATOM 0 H PHE A 48 1.035 7.455 -8.093 1.00 0.00 H new ATOM 0 HA PHE A 48 3.765 8.471 -8.460 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.871 8.480 -6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.355 9.403 -6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.098 9.049 -7.444 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.515 11.366 -7.631 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.324 10.869 -8.602 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.290 13.183 -8.790 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.129 12.935 -9.276 1.00 0.00 H new ATOM 760 N ASP A 49 3.359 5.634 -7.132 1.00 0.00 N ATOM 761 CA ASP A 49 4.054 4.494 -6.432 1.00 0.00 C ATOM 762 C ASP A 49 4.754 4.968 -5.142 1.00 0.00 C ATOM 763 O ASP A 49 5.965 5.051 -5.107 1.00 0.00 O ATOM 764 CB ASP A 49 5.107 3.901 -7.367 1.00 0.00 C ATOM 765 CG ASP A 49 4.487 3.642 -8.741 1.00 0.00 C ATOM 766 OD1 ASP A 49 3.415 3.060 -8.785 1.00 0.00 O ATOM 767 OD2 ASP A 49 5.094 4.029 -9.726 1.00 0.00 O ATOM 0 H ASP A 49 2.535 5.367 -7.670 1.00 0.00 H new ATOM 0 HA ASP A 49 3.303 3.750 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.951 4.585 -7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.495 2.971 -6.951 1.00 0.00 H new ATOM 772 N PRO A 50 3.983 5.281 -4.125 1.00 0.00 N ATOM 773 CA PRO A 50 4.550 5.763 -2.850 1.00 0.00 C ATOM 774 C PRO A 50 5.522 4.723 -2.270 1.00 0.00 C ATOM 775 O PRO A 50 5.368 3.535 -2.472 1.00 0.00 O ATOM 776 CB PRO A 50 3.322 5.979 -1.931 1.00 0.00 C ATOM 777 CG PRO A 50 2.048 5.745 -2.794 1.00 0.00 C ATOM 778 CD PRO A 50 2.508 5.182 -4.156 1.00 0.00 C ATOM 0 HA PRO A 50 5.128 6.680 -2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.347 5.288 -1.088 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.325 6.987 -1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.372 5.047 -2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.500 6.677 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.183 4.150 -4.288 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.090 5.756 -4.983 1.00 0.00 H new ATOM 786 N THR A 51 6.518 5.164 -1.543 1.00 0.00 N ATOM 787 CA THR A 51 7.489 4.203 -0.945 1.00 0.00 C ATOM 788 C THR A 51 6.798 3.447 0.188 1.00 0.00 C ATOM 789 O THR A 51 5.704 3.790 0.589 1.00 0.00 O ATOM 790 CB THR A 51 8.693 4.970 -0.392 1.00 0.00 C ATOM 791 OG1 THR A 51 8.272 5.803 0.679 1.00 0.00 O ATOM 792 CG2 THR A 51 9.306 5.828 -1.499 1.00 0.00 C ATOM 0 H THR A 51 6.699 6.147 -1.339 1.00 0.00 H new ATOM 0 HA THR A 51 7.832 3.500 -1.704 1.00 0.00 H new ATOM 0 HB THR A 51 9.439 4.263 -0.029 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.935 6.510 0.824 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.163 6.374 -1.104 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.630 5.187 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.562 6.536 -1.865 1.00 0.00 H new ATOM 800 N ALA A 52 7.407 2.415 0.706 1.00 0.00 N ATOM 801 CA ALA A 52 6.742 1.658 1.800 1.00 0.00 C ATOM 802 C ALA A 52 6.541 2.595 2.996 1.00 0.00 C ATOM 803 O ALA A 52 5.641 2.438 3.801 1.00 0.00 O ATOM 804 CB ALA A 52 7.625 0.479 2.215 1.00 0.00 C ATOM 0 H ALA A 52 8.323 2.068 0.423 1.00 0.00 H new ATOM 0 HA ALA A 52 5.778 1.280 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.138 -0.076 3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.779 -0.179 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.588 0.851 2.564 1.00 0.00 H new ATOM 810 N LYS A 53 7.392 3.581 3.095 1.00 0.00 N ATOM 811 CA LYS A 53 7.306 4.565 4.211 1.00 0.00 C ATOM 812 C LYS A 53 6.082 5.458 3.998 1.00 0.00 C ATOM 813 O LYS A 53 5.297 5.682 4.898 1.00 0.00 O ATOM 814 CB LYS A 53 8.578 5.413 4.216 1.00 0.00 C ATOM 815 CG LYS A 53 9.804 4.504 4.403 1.00 0.00 C ATOM 816 CD LYS A 53 11.084 5.240 3.961 1.00 0.00 C ATOM 817 CE LYS A 53 11.328 5.031 2.462 1.00 0.00 C ATOM 818 NZ LYS A 53 12.526 5.813 2.044 1.00 0.00 N ATOM 0 H LYS A 53 8.155 3.748 2.439 1.00 0.00 H new ATOM 0 HA LYS A 53 7.209 4.049 5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.662 5.966 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.533 6.149 5.018 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.889 4.206 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.681 3.591 3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.992 6.305 4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.938 4.872 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.479 3.972 2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.455 5.349 1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.061 5.275 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.223 6.720 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.131 5.990 2.871 1.00 0.00 H new ATOM 832 N ASP A 54 5.868 5.895 2.791 1.00 0.00 N ATOM 833 CA ASP A 54 4.657 6.700 2.480 1.00 0.00 C ATOM 834 C ASP A 54 3.448 5.788 2.618 1.00 0.00 C ATOM 835 O ASP A 54 2.346 6.248 2.836 1.00 0.00 O ATOM 836 CB ASP A 54 4.747 7.250 1.055 1.00 0.00 C ATOM 837 CG ASP A 54 3.544 8.153 0.779 1.00 0.00 C ATOM 838 OD1 ASP A 54 2.430 7.666 0.870 1.00 0.00 O ATOM 839 OD2 ASP A 54 3.758 9.317 0.481 1.00 0.00 O ATOM 0 H ASP A 54 6.487 5.727 1.998 1.00 0.00 H new ATOM 0 HA ASP A 54 4.572 7.545 3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.673 7.811 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.771 6.429 0.338 1.00 0.00 H new ATOM 844 N LEU A 55 3.632 4.502 2.586 1.00 0.00 N ATOM 845 CA LEU A 55 2.466 3.603 2.808 1.00 0.00 C ATOM 846 C LEU A 55 2.331 3.423 4.323 1.00 0.00 C ATOM 847 O LEU A 55 1.362 2.882 4.820 1.00 0.00 O ATOM 848 CB LEU A 55 2.708 2.248 2.127 1.00 0.00 C ATOM 849 CG LEU A 55 2.341 2.336 0.629 1.00 0.00 C ATOM 850 CD1 LEU A 55 3.110 1.271 -0.159 1.00 0.00 C ATOM 851 CD2 LEU A 55 0.835 2.103 0.437 1.00 0.00 C ATOM 0 H LEU A 55 4.524 4.037 2.419 1.00 0.00 H new ATOM 0 HA LEU A 55 1.555 4.026 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.753 1.958 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.110 1.476 2.612 1.00 0.00 H new ATOM 0 HG LEU A 55 2.606 3.329 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.847 1.338 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.181 1.434 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.850 0.282 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.589 2.168 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.569 1.115 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.277 2.861 0.986 1.00 0.00 H new ATOM 863 N GLN A 56 3.316 3.889 5.055 1.00 0.00 N ATOM 864 CA GLN A 56 3.287 3.772 6.540 1.00 0.00 C ATOM 865 C GLN A 56 2.430 4.892 7.144 1.00 0.00 C ATOM 866 O GLN A 56 1.504 4.637 7.884 1.00 0.00 O ATOM 867 CB GLN A 56 4.720 3.873 7.083 1.00 0.00 C ATOM 868 CG GLN A 56 4.792 3.274 8.492 1.00 0.00 C ATOM 869 CD GLN A 56 3.934 4.101 9.451 1.00 0.00 C ATOM 870 OE1 GLN A 56 4.322 5.179 9.857 1.00 0.00 O ATOM 871 NE2 GLN A 56 2.774 3.639 9.833 1.00 0.00 N ATOM 0 H GLN A 56 4.145 4.349 4.679 1.00 0.00 H new ATOM 0 HA GLN A 56 2.854 2.810 6.814 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.407 3.347 6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.036 4.916 7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.444 2.241 8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.826 3.256 8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.448 2.734 9.492 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.194 4.183 10.472 1.00 0.00 H new ATOM 880 N ASP A 57 2.709 6.129 6.826 1.00 0.00 N ATOM 881 CA ASP A 57 1.885 7.239 7.391 1.00 0.00 C ATOM 882 C ASP A 57 0.568 7.338 6.628 1.00 0.00 C ATOM 883 O ASP A 57 -0.369 7.961 7.087 1.00 0.00 O ATOM 884 CB ASP A 57 2.645 8.564 7.319 1.00 0.00 C ATOM 885 CG ASP A 57 3.177 8.772 5.902 1.00 0.00 C ATOM 886 OD1 ASP A 57 3.843 7.880 5.405 1.00 0.00 O ATOM 887 OD2 ASP A 57 2.909 9.820 5.337 1.00 0.00 O ATOM 0 H ASP A 57 3.465 6.418 6.205 1.00 0.00 H new ATOM 0 HA ASP A 57 1.675 7.026 8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.987 9.388 7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.470 8.561 8.031 1.00 0.00 H new ATOM 892 N LEU A 58 0.445 6.683 5.509 1.00 0.00 N ATOM 893 CA LEU A 58 -0.863 6.707 4.799 1.00 0.00 C ATOM 894 C LEU A 58 -1.754 5.660 5.469 1.00 0.00 C ATOM 895 O LEU A 58 -2.647 6.011 6.214 1.00 0.00 O ATOM 896 CB LEU A 58 -0.676 6.392 3.313 1.00 0.00 C ATOM 897 CG LEU A 58 -1.956 6.734 2.535 1.00 0.00 C ATOM 898 CD1 LEU A 58 -2.093 8.259 2.358 1.00 0.00 C ATOM 899 CD2 LEU A 58 -1.897 6.060 1.159 1.00 0.00 C ATOM 0 H LEU A 58 1.182 6.139 5.060 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.319 7.695 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.164 6.962 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.434 5.337 3.185 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.820 6.373 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.006 8.481 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.137 8.736 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.233 8.640 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.802 6.297 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.026 6.423 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.821 4.980 1.286 1.00 0.00 H new ATOM 911 N LEU A 59 -1.545 4.390 5.229 1.00 0.00 N ATOM 912 CA LEU A 59 -2.411 3.361 5.887 1.00 0.00 C ATOM 913 C LEU A 59 -2.621 3.713 7.369 1.00 0.00 C ATOM 914 O LEU A 59 -3.528 3.222 8.003 1.00 0.00 O ATOM 915 CB LEU A 59 -1.741 1.981 5.785 1.00 0.00 C ATOM 916 CG LEU A 59 -2.013 1.347 4.412 1.00 0.00 C ATOM 917 CD1 LEU A 59 -3.505 0.981 4.259 1.00 0.00 C ATOM 918 CD2 LEU A 59 -1.598 2.328 3.308 1.00 0.00 C ATOM 0 H LEU A 59 -0.820 4.022 4.613 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.377 3.341 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.667 2.080 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.117 1.329 6.573 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.429 0.430 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.671 0.534 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.786 0.269 5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.112 1.881 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.790 1.881 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.173 3.249 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.535 2.553 3.401 1.00 0.00 H new ATOM 930 N GLN A 60 -1.784 4.541 7.936 1.00 0.00 N ATOM 931 CA GLN A 60 -1.949 4.894 9.381 1.00 0.00 C ATOM 932 C GLN A 60 -2.791 6.167 9.534 1.00 0.00 C ATOM 933 O GLN A 60 -3.427 6.386 10.546 1.00 0.00 O ATOM 934 CB GLN A 60 -0.569 5.157 9.979 1.00 0.00 C ATOM 935 CG GLN A 60 -0.671 5.178 11.505 1.00 0.00 C ATOM 936 CD GLN A 60 0.682 5.564 12.104 1.00 0.00 C ATOM 937 OE1 GLN A 60 1.708 5.059 11.693 1.00 0.00 O ATOM 938 NE2 GLN A 60 0.729 6.445 13.065 1.00 0.00 N ATOM 0 H GLN A 60 -0.996 4.987 7.466 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.449 4.070 9.891 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.130 4.384 9.661 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.179 6.108 9.617 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.435 5.889 11.819 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.977 4.199 11.873 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.132 6.869 13.410 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.627 6.710 13.471 1.00 0.00 H new ATOM 947 N TYR A 61 -2.780 7.019 8.536 1.00 0.00 N ATOM 948 CA TYR A 61 -3.554 8.301 8.609 1.00 0.00 C ATOM 949 C TYR A 61 -4.832 8.183 7.778 1.00 0.00 C ATOM 950 O TYR A 61 -5.928 8.292 8.291 1.00 0.00 O ATOM 951 CB TYR A 61 -2.691 9.437 8.054 1.00 0.00 C ATOM 952 CG TYR A 61 -3.437 10.746 8.164 1.00 0.00 C ATOM 953 CD1 TYR A 61 -3.333 11.516 9.329 1.00 0.00 C ATOM 954 CD2 TYR A 61 -4.230 11.191 7.100 1.00 0.00 C ATOM 955 CE1 TYR A 61 -4.021 12.731 9.429 1.00 0.00 C ATOM 956 CE2 TYR A 61 -4.918 12.407 7.200 1.00 0.00 C ATOM 957 CZ TYR A 61 -4.814 13.176 8.365 1.00 0.00 C ATOM 958 OH TYR A 61 -5.491 14.374 8.463 1.00 0.00 O ATOM 0 H TYR A 61 -2.264 6.880 7.667 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.819 8.507 9.646 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.752 9.495 8.605 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.438 9.238 7.013 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.722 11.172 10.151 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.311 10.597 6.202 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.940 13.325 10.327 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.529 12.751 6.378 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.993 14.534 7.637 1.00 0.00 H new ATOM 968 N LEU A 62 -4.705 7.954 6.499 1.00 0.00 N ATOM 969 CA LEU A 62 -5.927 7.821 5.648 1.00 0.00 C ATOM 970 C LEU A 62 -6.842 6.776 6.293 1.00 0.00 C ATOM 971 O LEU A 62 -8.049 6.885 6.205 1.00 0.00 O ATOM 972 CB LEU A 62 -5.535 7.431 4.203 1.00 0.00 C ATOM 973 CG LEU A 62 -6.436 8.097 3.141 1.00 0.00 C ATOM 974 CD1 LEU A 62 -7.920 7.917 3.482 1.00 0.00 C ATOM 975 CD2 LEU A 62 -6.099 9.591 3.016 1.00 0.00 C ATOM 0 H LEU A 62 -3.817 7.854 6.008 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.458 8.771 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.498 7.714 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.593 6.348 4.095 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.246 7.609 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.530 8.396 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.158 6.854 3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.129 8.372 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.742 10.047 2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.259 10.082 3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.056 9.705 2.720 1.00 0.00 H new ATOM 987 N CYS A 63 -6.303 5.821 7.007 1.00 0.00 N ATOM 988 CA CYS A 63 -7.184 4.842 7.722 1.00 0.00 C ATOM 989 C CYS A 63 -7.131 5.216 9.203 1.00 0.00 C ATOM 990 O CYS A 63 -7.321 6.360 9.566 1.00 0.00 O ATOM 991 CB CYS A 63 -6.666 3.419 7.524 1.00 0.00 C ATOM 992 SG CYS A 63 -6.200 3.180 5.792 1.00 0.00 S ATOM 0 H CYS A 63 -5.301 5.675 7.127 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.203 4.878 7.338 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.807 3.240 8.171 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.433 2.699 7.808 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.225 2.742 5.123 1.00 0.00 H new ATOM 998 N SER A 64 -6.832 4.282 10.061 1.00 0.00 N ATOM 999 CA SER A 64 -6.721 4.619 11.510 1.00 0.00 C ATOM 1000 C SER A 64 -5.827 3.588 12.200 1.00 0.00 C ATOM 1001 O SER A 64 -4.888 3.933 12.888 1.00 0.00 O ATOM 1002 CB SER A 64 -8.103 4.627 12.152 1.00 0.00 C ATOM 1003 OG SER A 64 -7.996 5.080 13.496 1.00 0.00 O ATOM 0 H SER A 64 -6.660 3.305 9.825 1.00 0.00 H new ATOM 0 HA SER A 64 -6.282 5.610 11.619 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.774 5.277 11.590 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.534 3.626 12.127 1.00 0.00 H new ATOM 0 HG SER A 64 -8.884 5.087 13.910 1.00 0.00 H new ATOM 1009 N SER A 65 -6.106 2.329 12.026 1.00 0.00 N ATOM 1010 CA SER A 65 -5.260 1.290 12.681 1.00 0.00 C ATOM 1011 C SER A 65 -5.619 -0.094 12.139 1.00 0.00 C ATOM 1012 O SER A 65 -4.855 -0.704 11.414 1.00 0.00 O ATOM 1013 CB SER A 65 -5.497 1.320 14.192 1.00 0.00 C ATOM 1014 OG SER A 65 -6.892 1.229 14.450 1.00 0.00 O ATOM 0 H SER A 65 -6.878 1.973 11.462 1.00 0.00 H new ATOM 0 HA SER A 65 -4.211 1.497 12.468 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.972 0.493 14.671 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.096 2.240 14.617 1.00 0.00 H new ATOM 0 HG SER A 65 -7.048 1.246 15.417 1.00 0.00 H new ATOM 1020 N LEU A 66 -6.769 -0.603 12.496 1.00 0.00 N ATOM 1021 CA LEU A 66 -7.176 -1.952 12.014 1.00 0.00 C ATOM 1022 C LEU A 66 -6.846 -2.110 10.529 1.00 0.00 C ATOM 1023 O LEU A 66 -6.121 -2.997 10.161 1.00 0.00 O ATOM 1024 CB LEU A 66 -8.681 -2.141 12.226 1.00 0.00 C ATOM 1025 CG LEU A 66 -8.983 -2.343 13.722 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -10.459 -2.039 13.990 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -8.685 -3.793 14.142 1.00 0.00 C ATOM 0 H LEU A 66 -7.445 -0.139 13.103 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.628 -2.706 12.579 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.221 -1.271 11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.031 -3.002 11.657 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.350 -1.668 14.299 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.673 -2.182 15.049 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.674 -1.007 13.712 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.082 -2.711 13.400 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.904 -3.917 15.202 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.306 -4.475 13.561 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.634 -4.016 13.961 1.00 0.00 H new ATOM 1039 N VAL A 67 -7.425 -1.306 9.672 1.00 0.00 N ATOM 1040 CA VAL A 67 -7.181 -1.461 8.196 1.00 0.00 C ATOM 1041 C VAL A 67 -5.740 -1.937 7.926 1.00 0.00 C ATOM 1042 O VAL A 67 -5.506 -2.827 7.133 1.00 0.00 O ATOM 1043 CB VAL A 67 -7.412 -0.128 7.490 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -7.315 -0.330 5.975 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -8.803 0.406 7.847 1.00 0.00 C ATOM 0 H VAL A 67 -8.057 -0.547 9.927 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.876 -2.208 7.812 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.656 0.589 7.810 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.480 0.622 5.470 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.325 -0.709 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.071 -1.047 5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.968 1.358 7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.561 -0.310 7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.872 0.550 8.925 1.00 0.00 H new ATOM 1055 N ALA A 68 -4.777 -1.353 8.606 1.00 0.00 N ATOM 1056 CA ALA A 68 -3.353 -1.771 8.420 1.00 0.00 C ATOM 1057 C ALA A 68 -3.216 -3.237 8.842 1.00 0.00 C ATOM 1058 O ALA A 68 -2.542 -4.019 8.202 1.00 0.00 O ATOM 1059 CB ALA A 68 -2.443 -0.890 9.281 1.00 0.00 C ATOM 0 H ALA A 68 -4.920 -0.603 9.283 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.062 -1.660 7.376 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.406 -1.196 9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.557 0.152 8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.718 -0.999 10.330 1.00 0.00 H new ATOM 1065 N SER A 69 -3.913 -3.627 9.876 1.00 0.00 N ATOM 1066 CA SER A 69 -3.904 -5.051 10.306 1.00 0.00 C ATOM 1067 C SER A 69 -4.438 -5.892 9.141 1.00 0.00 C ATOM 1068 O SER A 69 -3.708 -6.551 8.427 1.00 0.00 O ATOM 1069 CB SER A 69 -4.861 -5.194 11.503 1.00 0.00 C ATOM 1070 OG SER A 69 -4.721 -6.495 12.057 1.00 0.00 O ATOM 0 H SER A 69 -4.494 -3.011 10.445 1.00 0.00 H new ATOM 0 HA SER A 69 -2.901 -5.375 10.585 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.637 -4.438 12.256 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.890 -5.030 11.183 1.00 0.00 H new ATOM 0 HG SER A 69 -5.327 -6.592 12.821 1.00 0.00 H new ATOM 1076 N LEU A 70 -5.733 -5.841 8.961 1.00 0.00 N ATOM 1077 CA LEU A 70 -6.449 -6.570 7.881 1.00 0.00 C ATOM 1078 C LEU A 70 -5.690 -6.606 6.546 1.00 0.00 C ATOM 1079 O LEU A 70 -5.336 -7.648 6.038 1.00 0.00 O ATOM 1080 CB LEU A 70 -7.765 -5.787 7.640 1.00 0.00 C ATOM 1081 CG LEU A 70 -8.816 -6.165 8.702 1.00 0.00 C ATOM 1082 CD1 LEU A 70 -8.316 -5.789 10.097 1.00 0.00 C ATOM 1083 CD2 LEU A 70 -10.119 -5.418 8.415 1.00 0.00 C ATOM 0 H LEU A 70 -6.352 -5.291 9.556 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.584 -7.604 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.570 -4.715 7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.149 -6.007 6.644 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.988 -7.241 8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.067 -6.061 10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.389 -6.322 10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.135 -4.715 10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.864 -5.684 9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.938 -4.344 8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.486 -5.693 7.426 1.00 0.00 H new ATOM 1095 N HIS A 71 -5.580 -5.470 5.905 1.00 0.00 N ATOM 1096 CA HIS A 71 -5.004 -5.450 4.533 1.00 0.00 C ATOM 1097 C HIS A 71 -3.628 -6.133 4.489 1.00 0.00 C ATOM 1098 O HIS A 71 -3.379 -7.037 3.696 1.00 0.00 O ATOM 1099 CB HIS A 71 -4.913 -3.993 4.044 1.00 0.00 C ATOM 1100 CG HIS A 71 -3.951 -3.865 2.892 1.00 0.00 C ATOM 1101 ND1 HIS A 71 -4.376 -3.622 1.598 1.00 0.00 N ATOM 1102 CD2 HIS A 71 -2.580 -3.930 2.831 1.00 0.00 C ATOM 1103 CE1 HIS A 71 -3.280 -3.548 0.820 1.00 0.00 C ATOM 1104 NE2 HIS A 71 -2.160 -3.730 1.522 1.00 0.00 N ATOM 0 H HIS A 71 -5.863 -4.562 6.273 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.659 -6.014 3.869 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.900 -3.647 3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.591 -3.351 4.864 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.928 -4.109 3.673 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -3.304 -3.364 -0.244 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.202 -3.724 1.173 1.00 0.00 H new ATOM 1112 N HIS A 72 -2.703 -5.680 5.306 1.00 0.00 N ATOM 1113 CA HIS A 72 -1.352 -6.291 5.247 1.00 0.00 C ATOM 1114 C HIS A 72 -1.480 -7.741 5.693 1.00 0.00 C ATOM 1115 O HIS A 72 -0.633 -8.567 5.416 1.00 0.00 O ATOM 1116 CB HIS A 72 -0.350 -5.518 6.107 1.00 0.00 C ATOM 1117 CG HIS A 72 0.970 -6.238 6.113 1.00 0.00 C ATOM 1118 ND1 HIS A 72 1.240 -7.277 6.989 1.00 0.00 N ATOM 1119 CD2 HIS A 72 2.106 -6.078 5.360 1.00 0.00 C ATOM 1120 CE1 HIS A 72 2.494 -7.699 6.744 1.00 0.00 C ATOM 1121 NE2 HIS A 72 3.068 -7.001 5.759 1.00 0.00 N ATOM 0 H HIS A 72 -2.827 -4.934 5.990 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.965 -6.251 4.229 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.223 -4.508 5.717 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.728 -5.421 7.125 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.234 -5.346 4.576 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.978 -8.504 7.278 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.008 -7.119 5.381 1.00 0.00 H new ATOM 1129 N GLN A 73 -2.578 -8.072 6.329 1.00 0.00 N ATOM 1130 CA GLN A 73 -2.794 -9.488 6.720 1.00 0.00 C ATOM 1131 C GLN A 73 -2.643 -10.284 5.424 1.00 0.00 C ATOM 1132 O GLN A 73 -1.816 -11.161 5.312 1.00 0.00 O ATOM 1133 CB GLN A 73 -4.199 -9.679 7.327 1.00 0.00 C ATOM 1134 CG GLN A 73 -4.193 -10.863 8.300 1.00 0.00 C ATOM 1135 CD GLN A 73 -5.631 -11.229 8.669 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -6.022 -12.375 8.574 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -6.442 -10.296 9.089 1.00 0.00 N ATOM 0 H GLN A 73 -3.323 -7.426 6.589 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.087 -9.816 7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.506 -8.772 7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.926 -9.853 6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.694 -11.719 7.845 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.630 -10.607 9.198 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.114 -9.333 9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.403 -10.530 9.337 1.00 0.00 H new ATOM 1146 N GLN A 74 -3.437 -9.958 4.428 1.00 0.00 N ATOM 1147 CA GLN A 74 -3.325 -10.668 3.119 1.00 0.00 C ATOM 1148 C GLN A 74 -1.837 -10.760 2.771 1.00 0.00 C ATOM 1149 O GLN A 74 -1.230 -11.805 2.896 1.00 0.00 O ATOM 1150 CB GLN A 74 -4.055 -9.859 2.044 1.00 0.00 C ATOM 1151 CG GLN A 74 -5.530 -9.715 2.428 1.00 0.00 C ATOM 1152 CD GLN A 74 -6.207 -11.087 2.386 1.00 0.00 C ATOM 1153 OE1 GLN A 74 -6.013 -11.845 1.457 1.00 0.00 O ATOM 1154 NE2 GLN A 74 -6.999 -11.441 3.362 1.00 0.00 N ATOM 0 H GLN A 74 -4.154 -9.233 4.469 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.768 -11.663 3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.597 -8.875 1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.966 -10.355 1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.616 -9.286 3.426 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -6.030 -9.030 1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.162 -10.805 4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.454 -12.354 3.344 1.00 0.00 H new ATOM 1163 N LEU A 75 -1.234 -9.633 2.398 1.00 0.00 N ATOM 1164 CA LEU A 75 0.248 -9.590 2.108 1.00 0.00 C ATOM 1165 C LEU A 75 0.988 -10.540 3.045 1.00 0.00 C ATOM 1166 O LEU A 75 1.698 -11.410 2.583 1.00 0.00 O ATOM 1167 CB LEU A 75 0.779 -8.160 2.343 1.00 0.00 C ATOM 1168 CG LEU A 75 0.403 -7.225 1.167 1.00 0.00 C ATOM 1169 CD1 LEU A 75 0.978 -7.747 -0.164 1.00 0.00 C ATOM 1170 CD2 LEU A 75 -1.121 -7.110 1.068 1.00 0.00 C ATOM 0 H LEU A 75 -1.713 -8.740 2.283 1.00 0.00 H new ATOM 0 HA LEU A 75 0.412 -9.888 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.368 -7.764 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.862 -8.186 2.459 1.00 0.00 H new ATOM 0 HG LEU A 75 0.833 -6.242 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.698 -7.071 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.065 -7.800 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.579 -8.740 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.383 -6.452 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.550 -8.097 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.516 -6.699 1.997 1.00 0.00 H new ATOM 1182 N ASP A 76 0.819 -10.392 4.342 1.00 0.00 N ATOM 1183 CA ASP A 76 1.494 -11.307 5.328 1.00 0.00 C ATOM 1184 C ASP A 76 1.731 -12.680 4.686 1.00 0.00 C ATOM 1185 O ASP A 76 2.841 -13.069 4.362 1.00 0.00 O ATOM 1186 CB ASP A 76 0.543 -11.476 6.540 1.00 0.00 C ATOM 1187 CG ASP A 76 1.350 -11.790 7.807 1.00 0.00 C ATOM 1188 OD1 ASP A 76 1.741 -10.853 8.484 1.00 0.00 O ATOM 1189 OD2 ASP A 76 1.561 -12.961 8.077 1.00 0.00 O ATOM 0 H ASP A 76 0.236 -9.669 4.764 1.00 0.00 H new ATOM 0 HA ASP A 76 2.452 -10.889 5.636 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.037 -10.565 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.168 -12.279 6.345 1.00 0.00 H new ATOM 1194 N SER A 77 0.664 -13.405 4.492 1.00 0.00 N ATOM 1195 CA SER A 77 0.754 -14.742 3.874 1.00 0.00 C ATOM 1196 C SER A 77 0.824 -14.623 2.354 1.00 0.00 C ATOM 1197 O SER A 77 1.417 -15.458 1.701 1.00 0.00 O ATOM 1198 CB SER A 77 -0.496 -15.529 4.232 1.00 0.00 C ATOM 1199 OG SER A 77 -0.495 -15.814 5.624 1.00 0.00 O ATOM 0 H SER A 77 -0.281 -13.115 4.743 1.00 0.00 H new ATOM 0 HA SER A 77 1.651 -15.241 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.386 -14.958 3.968 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.531 -16.456 3.660 1.00 0.00 H new ATOM 0 HG SER A 77 -1.302 -16.320 5.855 1.00 0.00 H new ATOM 1205 N LEU A 78 0.206 -13.619 1.762 1.00 0.00 N ATOM 1206 CA LEU A 78 0.253 -13.527 0.275 1.00 0.00 C ATOM 1207 C LEU A 78 1.702 -13.682 -0.147 1.00 0.00 C ATOM 1208 O LEU A 78 2.046 -14.534 -0.935 1.00 0.00 O ATOM 1209 CB LEU A 78 -0.316 -12.172 -0.211 1.00 0.00 C ATOM 1210 CG LEU A 78 -1.255 -12.394 -1.397 1.00 0.00 C ATOM 1211 CD1 LEU A 78 -2.096 -11.133 -1.641 1.00 0.00 C ATOM 1212 CD2 LEU A 78 -0.427 -12.705 -2.645 1.00 0.00 C ATOM 0 H LEU A 78 -0.314 -12.881 2.237 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.359 -14.311 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.852 -11.681 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.499 -11.509 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.920 -13.230 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.763 -11.298 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.686 -10.912 -0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.437 -10.292 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.093 -12.864 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.238 -11.868 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.164 -13.605 -2.474 1.00 0.00 H new ATOM 1224 N ILE A 79 2.565 -12.894 0.430 1.00 0.00 N ATOM 1225 CA ILE A 79 4.002 -13.019 0.137 1.00 0.00 C ATOM 1226 C ILE A 79 4.384 -14.476 0.392 1.00 0.00 C ATOM 1227 O ILE A 79 4.911 -15.152 -0.469 1.00 0.00 O ATOM 1228 CB ILE A 79 4.746 -12.074 1.109 1.00 0.00 C ATOM 1229 CG1 ILE A 79 4.787 -10.640 0.539 1.00 0.00 C ATOM 1230 CG2 ILE A 79 6.171 -12.560 1.387 1.00 0.00 C ATOM 1231 CD1 ILE A 79 5.526 -10.583 -0.810 1.00 0.00 C ATOM 0 H ILE A 79 2.324 -12.163 1.099 1.00 0.00 H new ATOM 0 HA ILE A 79 4.255 -12.753 -0.889 1.00 0.00 H new ATOM 0 HB ILE A 79 4.197 -12.074 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.770 -10.270 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.280 -9.979 1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 79 6.663 -11.871 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.136 -13.554 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.730 -12.601 0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.533 -9.557 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.551 -10.928 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.018 -11.223 -1.531 1.00 0.00 H new ATOM 1243 N SER A 80 4.124 -14.966 1.578 1.00 0.00 N ATOM 1244 CA SER A 80 4.482 -16.376 1.874 1.00 0.00 C ATOM 1245 C SER A 80 3.954 -17.288 0.767 1.00 0.00 C ATOM 1246 O SER A 80 4.686 -18.089 0.211 1.00 0.00 O ATOM 1247 CB SER A 80 3.871 -16.800 3.209 1.00 0.00 C ATOM 1248 OG SER A 80 2.490 -17.080 3.028 1.00 0.00 O ATOM 0 H SER A 80 3.684 -14.454 2.343 1.00 0.00 H new ATOM 0 HA SER A 80 5.567 -16.459 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.385 -17.681 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.999 -16.009 3.948 1.00 0.00 H new ATOM 0 HG SER A 80 2.074 -16.357 2.513 1.00 0.00 H new ATOM 1254 N GLU A 81 2.688 -17.206 0.447 1.00 0.00 N ATOM 1255 CA GLU A 81 2.149 -18.109 -0.597 1.00 0.00 C ATOM 1256 C GLU A 81 2.610 -17.682 -1.988 1.00 0.00 C ATOM 1257 O GLU A 81 2.736 -18.504 -2.878 1.00 0.00 O ATOM 1258 CB GLU A 81 0.619 -18.076 -0.551 1.00 0.00 C ATOM 1259 CG GLU A 81 0.136 -18.526 0.829 1.00 0.00 C ATOM 1260 CD GLU A 81 0.338 -20.035 0.974 1.00 0.00 C ATOM 1261 OE1 GLU A 81 -0.509 -20.774 0.501 1.00 0.00 O ATOM 1262 OE2 GLU A 81 1.337 -20.425 1.556 1.00 0.00 O ATOM 0 H GLU A 81 2.016 -16.559 0.861 1.00 0.00 H new ATOM 0 HA GLU A 81 2.518 -19.116 -0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.261 -17.068 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.208 -18.728 -1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.686 -17.998 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.917 -18.276 0.957 1.00 0.00 H new ATOM 1269 N ALA A 82 2.804 -16.407 -2.232 1.00 0.00 N ATOM 1270 CA ALA A 82 3.173 -16.008 -3.619 1.00 0.00 C ATOM 1271 C ALA A 82 4.616 -16.407 -3.904 1.00 0.00 C ATOM 1272 O ALA A 82 4.980 -16.732 -5.013 1.00 0.00 O ATOM 1273 CB ALA A 82 3.022 -14.496 -3.791 1.00 0.00 C ATOM 0 H ALA A 82 2.725 -15.650 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 82 2.509 -16.516 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.295 -14.217 -4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.988 -14.210 -3.601 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.676 -13.983 -3.086 1.00 0.00 H new ATOM 1279 N GLU A 83 5.460 -16.339 -2.900 1.00 0.00 N ATOM 1280 CA GLU A 83 6.888 -16.674 -3.128 1.00 0.00 C ATOM 1281 C GLU A 83 6.988 -18.162 -3.425 1.00 0.00 C ATOM 1282 O GLU A 83 7.815 -18.603 -4.198 1.00 0.00 O ATOM 1283 CB GLU A 83 7.728 -16.318 -1.899 1.00 0.00 C ATOM 1284 CG GLU A 83 7.859 -14.799 -1.788 1.00 0.00 C ATOM 1285 CD GLU A 83 8.643 -14.451 -0.521 1.00 0.00 C ATOM 1286 OE1 GLU A 83 8.112 -14.662 0.557 1.00 0.00 O ATOM 1287 OE2 GLU A 83 9.763 -13.984 -0.649 1.00 0.00 O ATOM 0 H GLU A 83 5.218 -16.069 -1.947 1.00 0.00 H new ATOM 0 HA GLU A 83 7.272 -16.098 -3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.262 -16.719 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.715 -16.773 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.368 -14.401 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.872 -14.338 -1.757 1.00 0.00 H new ATOM 1294 N THR A 84 6.128 -18.937 -2.830 1.00 0.00 N ATOM 1295 CA THR A 84 6.142 -20.395 -3.088 1.00 0.00 C ATOM 1296 C THR A 84 5.938 -20.613 -4.598 1.00 0.00 C ATOM 1297 O THR A 84 6.645 -21.379 -5.223 1.00 0.00 O ATOM 1298 CB THR A 84 4.994 -21.038 -2.270 1.00 0.00 C ATOM 1299 OG1 THR A 84 4.286 -20.010 -1.595 1.00 0.00 O ATOM 1300 CG2 THR A 84 5.547 -22.023 -1.230 1.00 0.00 C ATOM 0 H THR A 84 5.414 -18.619 -2.174 1.00 0.00 H new ATOM 0 HA THR A 84 7.085 -20.852 -2.790 1.00 0.00 H new ATOM 0 HB THR A 84 4.338 -21.580 -2.951 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.473 -19.789 -2.096 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.722 -22.461 -0.669 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.101 -22.813 -1.736 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.211 -21.495 -0.546 1.00 0.00 H new ATOM 1308 N ARG A 85 4.958 -19.954 -5.172 1.00 0.00 N ATOM 1309 CA ARG A 85 4.669 -20.114 -6.634 1.00 0.00 C ATOM 1310 C ARG A 85 5.959 -20.231 -7.444 1.00 0.00 C ATOM 1311 O ARG A 85 6.025 -20.984 -8.396 1.00 0.00 O ATOM 1312 CB ARG A 85 3.882 -18.894 -7.144 1.00 0.00 C ATOM 1313 CG ARG A 85 3.760 -18.926 -8.693 1.00 0.00 C ATOM 1314 CD ARG A 85 4.823 -18.019 -9.349 1.00 0.00 C ATOM 1315 NE ARG A 85 5.050 -18.457 -10.755 1.00 0.00 N ATOM 1316 CZ ARG A 85 5.676 -17.672 -11.589 1.00 0.00 C ATOM 1317 NH1 ARG A 85 6.112 -16.509 -11.188 1.00 0.00 N ATOM 1318 NH2 ARG A 85 5.867 -18.049 -12.823 1.00 0.00 N ATOM 0 H ARG A 85 4.340 -19.305 -4.684 1.00 0.00 H new ATOM 0 HA ARG A 85 4.086 -21.026 -6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.888 -18.883 -6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.382 -17.977 -6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.879 -19.949 -9.050 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.764 -18.599 -8.990 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.493 -16.980 -9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.755 -18.068 -8.787 1.00 0.00 H new ATOM 0 HE ARG A 85 4.716 -19.370 -11.065 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.964 -16.214 -10.223 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.601 -15.895 -11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.527 -18.958 -13.137 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.356 -17.435 -13.474 1.00 0.00 H new ATOM 1332 N GLY A 86 6.982 -19.491 -7.091 1.00 0.00 N ATOM 1333 CA GLY A 86 8.270 -19.556 -7.861 1.00 0.00 C ATOM 1334 C GLY A 86 8.482 -18.245 -8.634 1.00 0.00 C ATOM 1335 O GLY A 86 8.626 -18.241 -9.840 1.00 0.00 O ATOM 0 H GLY A 86 6.983 -18.844 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.103 -19.726 -7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.248 -20.398 -8.553 1.00 0.00 H new ATOM 1339 N ILE A 87 8.517 -17.135 -7.943 1.00 0.00 N ATOM 1340 CA ILE A 87 8.735 -15.820 -8.625 1.00 0.00 C ATOM 1341 C ILE A 87 10.117 -15.828 -9.300 1.00 0.00 C ATOM 1342 O ILE A 87 10.615 -16.861 -9.699 1.00 0.00 O ATOM 1343 CB ILE A 87 8.669 -14.702 -7.563 1.00 0.00 C ATOM 1344 CG1 ILE A 87 7.411 -14.912 -6.707 1.00 0.00 C ATOM 1345 CG2 ILE A 87 8.643 -13.289 -8.216 1.00 0.00 C ATOM 1346 CD1 ILE A 87 6.158 -14.926 -7.590 1.00 0.00 C ATOM 0 H ILE A 87 8.404 -17.081 -6.931 1.00 0.00 H new ATOM 0 HA ILE A 87 7.971 -15.649 -9.383 1.00 0.00 H new ATOM 0 HB ILE A 87 9.563 -14.755 -6.942 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.489 -15.852 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.332 -14.117 -5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.596 -12.529 -7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.546 -13.146 -8.809 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.768 -13.202 -8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 87 5.276 -15.076 -6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.073 -13.975 -8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.233 -15.737 -8.315 1.00 0.00 H new ATOM 1358 N THR A 88 10.730 -14.682 -9.423 1.00 0.00 N ATOM 1359 CA THR A 88 12.077 -14.614 -10.056 1.00 0.00 C ATOM 1360 C THR A 88 13.067 -15.326 -9.136 1.00 0.00 C ATOM 1361 O THR A 88 14.034 -14.752 -8.676 1.00 0.00 O ATOM 1362 CB THR A 88 12.499 -13.153 -10.239 1.00 0.00 C ATOM 1363 OG1 THR A 88 11.430 -12.422 -10.821 1.00 0.00 O ATOM 1364 CG2 THR A 88 13.723 -13.088 -11.155 1.00 0.00 C ATOM 0 H THR A 88 10.354 -13.787 -9.111 1.00 0.00 H new ATOM 0 HA THR A 88 12.056 -15.091 -11.036 1.00 0.00 H new ATOM 0 HB THR A 88 12.748 -12.721 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.698 -11.487 -10.937 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.024 -12.049 -11.286 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.543 -13.650 -10.707 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.475 -13.519 -12.125 1.00 0.00 H new ATOM 1372 N SER A 89 12.814 -16.577 -8.850 1.00 0.00 N ATOM 1373 CA SER A 89 13.715 -17.344 -7.941 1.00 0.00 C ATOM 1374 C SER A 89 14.021 -16.490 -6.710 1.00 0.00 C ATOM 1375 O SER A 89 14.953 -16.752 -5.983 1.00 0.00 O ATOM 1376 CB SER A 89 15.013 -17.701 -8.665 1.00 0.00 C ATOM 1377 OG SER A 89 14.705 -18.245 -9.941 1.00 0.00 O ATOM 0 H SER A 89 12.017 -17.102 -9.210 1.00 0.00 H new ATOM 0 HA SER A 89 13.224 -18.268 -7.635 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.637 -16.814 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 89 15.584 -18.421 -8.078 1.00 0.00 H new ATOM 0 HG SER A 89 15.536 -18.473 -10.408 1.00 0.00 H new ATOM 1383 N TYR A 90 13.202 -15.490 -6.480 1.00 0.00 N ATOM 1384 CA TYR A 90 13.349 -14.575 -5.301 1.00 0.00 C ATOM 1385 C TYR A 90 14.802 -14.124 -5.075 1.00 0.00 C ATOM 1386 O TYR A 90 15.716 -14.914 -4.981 1.00 0.00 O ATOM 1387 CB TYR A 90 12.810 -15.263 -4.046 1.00 0.00 C ATOM 1388 CG TYR A 90 13.397 -16.647 -3.910 1.00 0.00 C ATOM 1389 CD1 TYR A 90 14.603 -16.834 -3.225 1.00 0.00 C ATOM 1390 CD2 TYR A 90 12.729 -17.744 -4.465 1.00 0.00 C ATOM 1391 CE1 TYR A 90 15.142 -18.120 -3.097 1.00 0.00 C ATOM 1392 CE2 TYR A 90 13.267 -19.030 -4.337 1.00 0.00 C ATOM 1393 CZ TYR A 90 14.474 -19.218 -3.653 1.00 0.00 C ATOM 1394 OH TYR A 90 15.004 -20.485 -3.526 1.00 0.00 O ATOM 0 H TYR A 90 12.411 -15.263 -7.082 1.00 0.00 H new ATOM 0 HA TYR A 90 12.770 -13.676 -5.514 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.054 -14.669 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 90 11.723 -15.326 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.118 -15.987 -2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 90 11.798 -17.599 -4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.073 -18.265 -2.569 1.00 0.00 H new ATOM 0 HE2 TYR A 90 12.751 -19.877 -4.766 1.00 0.00 H new ATOM 0 HH TYR A 90 14.415 -21.132 -3.968 1.00 0.00 H new ATOM 1404 N ASN A 91 15.009 -12.833 -4.967 1.00 0.00 N ATOM 1405 CA ASN A 91 16.387 -12.296 -4.735 1.00 0.00 C ATOM 1406 C ASN A 91 16.372 -11.195 -3.650 1.00 0.00 C ATOM 1407 O ASN A 91 17.176 -11.247 -2.739 1.00 0.00 O ATOM 1408 CB ASN A 91 16.980 -11.728 -6.064 1.00 0.00 C ATOM 1409 CG ASN A 91 16.198 -12.279 -7.263 1.00 0.00 C ATOM 1410 OD1 ASN A 91 14.988 -12.196 -7.312 1.00 0.00 O ATOM 1411 ND2 ASN A 91 16.850 -12.853 -8.236 1.00 0.00 N ATOM 0 H ASN A 91 14.278 -12.125 -5.030 1.00 0.00 H new ATOM 0 HA ASN A 91 17.016 -13.116 -4.388 1.00 0.00 H new ATOM 0 HB2 ASN A 91 16.932 -10.639 -6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 91 18.032 -12.001 -6.149 1.00 0.00 H new ATOM 0 HD21 ASN A 91 16.343 -13.231 -9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 91 17.867 -12.924 -8.197 1.00 0.00 H new ATOM 1418 N PRO A 92 15.502 -10.194 -3.781 1.00 0.00 N ATOM 1419 CA PRO A 92 15.455 -9.072 -2.826 1.00 0.00 C ATOM 1420 C PRO A 92 14.431 -9.313 -1.716 1.00 0.00 C ATOM 1421 O PRO A 92 14.520 -8.713 -0.663 1.00 0.00 O ATOM 1422 CB PRO A 92 14.992 -7.886 -3.697 1.00 0.00 C ATOM 1423 CG PRO A 92 14.371 -8.505 -4.990 1.00 0.00 C ATOM 1424 CD PRO A 92 14.507 -10.041 -4.862 1.00 0.00 C ATOM 0 HA PRO A 92 16.413 -8.919 -2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.259 -7.278 -3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.830 -7.234 -3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.325 -8.217 -5.092 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.889 -8.144 -5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.557 -10.511 -4.607 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.848 -10.496 -5.792 1.00 0.00 H new ATOM 1432 N LEU A 93 13.446 -10.151 -1.923 1.00 0.00 N ATOM 1433 CA LEU A 93 12.452 -10.343 -0.830 1.00 0.00 C ATOM 1434 C LEU A 93 13.229 -10.687 0.420 1.00 0.00 C ATOM 1435 O LEU A 93 13.115 -10.028 1.413 1.00 0.00 O ATOM 1436 CB LEU A 93 11.438 -11.424 -1.192 1.00 0.00 C ATOM 1437 CG LEU A 93 10.988 -11.223 -2.665 1.00 0.00 C ATOM 1438 CD1 LEU A 93 11.744 -12.197 -3.572 1.00 0.00 C ATOM 1439 CD2 LEU A 93 9.469 -11.461 -2.795 1.00 0.00 C ATOM 0 H LEU A 93 13.291 -10.693 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 93 11.871 -9.435 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.880 -12.412 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.577 -11.371 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 93 11.211 -10.200 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.426 -12.054 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.815 -12.011 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.530 -13.221 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.166 -11.317 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.232 -12.479 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.934 -10.755 -2.159 1.00 0.00 H new ATOM 1451 N ALA A 94 14.020 -11.717 0.318 1.00 0.00 N ATOM 1452 CA ALA A 94 14.897 -12.200 1.439 1.00 0.00 C ATOM 1453 C ALA A 94 14.939 -11.173 2.590 1.00 0.00 C ATOM 1454 O ALA A 94 14.620 -11.473 3.723 1.00 0.00 O ATOM 1455 CB ALA A 94 16.298 -12.397 0.863 1.00 0.00 C ATOM 0 H ALA A 94 14.102 -12.273 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 94 14.505 -13.131 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 94 16.968 -12.749 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.261 -13.134 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 94 16.666 -11.450 0.469 1.00 0.00 H new ATOM 1461 N GLY A 95 15.315 -9.956 2.285 1.00 0.00 N ATOM 1462 CA GLY A 95 15.367 -8.878 3.334 1.00 0.00 C ATOM 1463 C GLY A 95 13.933 -8.508 3.760 1.00 0.00 C ATOM 1464 O GLY A 95 12.999 -9.192 3.415 1.00 0.00 O ATOM 0 H GLY A 95 15.591 -9.656 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.937 -9.222 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.880 -7.999 2.943 1.00 0.00 H new ATOM 1468 N PRO A 96 13.774 -7.447 4.520 1.00 0.00 N ATOM 1469 CA PRO A 96 12.425 -7.043 4.961 1.00 0.00 C ATOM 1470 C PRO A 96 11.652 -6.504 3.738 1.00 0.00 C ATOM 1471 O PRO A 96 12.246 -6.280 2.705 1.00 0.00 O ATOM 1472 CB PRO A 96 12.674 -5.957 6.026 1.00 0.00 C ATOM 1473 CG PRO A 96 14.209 -5.655 6.026 1.00 0.00 C ATOM 1474 CD PRO A 96 14.879 -6.622 5.018 1.00 0.00 C ATOM 0 HA PRO A 96 11.827 -7.854 5.377 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.104 -5.056 5.798 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.349 -6.299 7.008 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.395 -4.619 5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.626 -5.793 7.024 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.366 -6.078 4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.645 -7.231 5.499 1.00 0.00 H new ATOM 1482 N LEU A 97 10.359 -6.281 3.805 1.00 0.00 N ATOM 1483 CA LEU A 97 9.662 -5.753 2.585 1.00 0.00 C ATOM 1484 C LEU A 97 10.069 -4.286 2.374 1.00 0.00 C ATOM 1485 O LEU A 97 10.544 -3.923 1.315 1.00 0.00 O ATOM 1486 CB LEU A 97 8.142 -5.878 2.738 1.00 0.00 C ATOM 1487 CG LEU A 97 7.711 -7.342 2.577 1.00 0.00 C ATOM 1488 CD1 LEU A 97 8.505 -8.232 3.541 1.00 0.00 C ATOM 1489 CD2 LEU A 97 6.216 -7.461 2.888 1.00 0.00 C ATOM 0 H LEU A 97 9.771 -6.435 4.624 1.00 0.00 H new ATOM 0 HA LEU A 97 9.957 -6.338 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.836 -5.507 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.642 -5.260 1.992 1.00 0.00 H new ATOM 0 HG LEU A 97 7.905 -7.665 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.192 -9.269 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.569 -8.146 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.318 -7.914 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.902 -8.499 2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.030 -7.135 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.650 -6.834 2.199 1.00 0.00 H new ATOM 1501 N ARG A 98 9.855 -3.434 3.349 1.00 0.00 N ATOM 1502 CA ARG A 98 10.225 -1.983 3.195 1.00 0.00 C ATOM 1503 C ARG A 98 11.561 -1.856 2.441 1.00 0.00 C ATOM 1504 O ARG A 98 11.857 -0.854 1.835 1.00 0.00 O ATOM 1505 CB ARG A 98 10.393 -1.361 4.583 1.00 0.00 C ATOM 1506 CG ARG A 98 9.031 -1.241 5.269 1.00 0.00 C ATOM 1507 CD ARG A 98 9.224 -0.676 6.677 1.00 0.00 C ATOM 1508 NE ARG A 98 7.964 -0.829 7.456 1.00 0.00 N ATOM 1509 CZ ARG A 98 7.981 -0.697 8.755 1.00 0.00 C ATOM 1510 NH1 ARG A 98 9.103 -0.437 9.369 1.00 0.00 N ATOM 1511 NH2 ARG A 98 6.878 -0.826 9.439 1.00 0.00 N ATOM 0 H ARG A 98 9.439 -3.678 4.248 1.00 0.00 H new ATOM 0 HA ARG A 98 9.439 -1.473 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.061 -1.974 5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.854 -0.377 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.375 -0.591 4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.549 -2.217 5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.039 -1.197 7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.504 0.376 6.622 1.00 0.00 H new ATOM 0 HE ARG A 98 7.089 -1.037 6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.966 -0.337 8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.117 -0.334 10.384 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.001 -1.030 8.959 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.892 -0.723 10.454 1.00 0.00 H new ATOM 1525 N VAL A 99 12.338 -2.901 2.465 1.00 0.00 N ATOM 1526 CA VAL A 99 13.646 -2.907 1.742 1.00 0.00 C ATOM 1527 C VAL A 99 13.388 -3.268 0.275 1.00 0.00 C ATOM 1528 O VAL A 99 13.977 -2.709 -0.627 1.00 0.00 O ATOM 1529 CB VAL A 99 14.601 -3.933 2.411 1.00 0.00 C ATOM 1530 CG1 VAL A 99 15.616 -4.498 1.395 1.00 0.00 C ATOM 1531 CG2 VAL A 99 15.377 -3.228 3.535 1.00 0.00 C ATOM 0 H VAL A 99 12.122 -3.765 2.961 1.00 0.00 H new ATOM 0 HA VAL A 99 14.118 -1.925 1.789 1.00 0.00 H new ATOM 0 HB VAL A 99 14.003 -4.756 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 99 16.270 -5.213 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 99 15.082 -4.997 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.214 -3.683 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 99 16.051 -3.939 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.955 -2.404 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.676 -2.841 4.274 1.00 0.00 H new ATOM 1541 N GLN A 100 12.519 -4.199 0.038 1.00 0.00 N ATOM 1542 CA GLN A 100 12.223 -4.609 -1.360 1.00 0.00 C ATOM 1543 C GLN A 100 11.953 -3.378 -2.229 1.00 0.00 C ATOM 1544 O GLN A 100 12.594 -3.179 -3.242 1.00 0.00 O ATOM 1545 CB GLN A 100 10.986 -5.523 -1.373 1.00 0.00 C ATOM 1546 CG GLN A 100 11.401 -6.973 -1.136 1.00 0.00 C ATOM 1547 CD GLN A 100 12.070 -7.118 0.235 1.00 0.00 C ATOM 1548 OE1 GLN A 100 11.593 -7.852 1.077 1.00 0.00 O ATOM 1549 NE2 GLN A 100 13.175 -6.483 0.484 1.00 0.00 N ATOM 0 H GLN A 100 11.995 -4.700 0.756 1.00 0.00 H new ATOM 0 HA GLN A 100 13.084 -5.144 -1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.283 -5.207 -0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.470 -5.436 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.527 -7.622 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.088 -7.294 -1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.578 -5.866 -0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.640 -6.601 1.384 1.00 0.00 H new ATOM 1558 N ALA A 101 10.981 -2.573 -1.876 1.00 0.00 N ATOM 1559 CA ALA A 101 10.658 -1.387 -2.741 1.00 0.00 C ATOM 1560 C ALA A 101 11.526 -0.177 -2.379 1.00 0.00 C ATOM 1561 O ALA A 101 11.895 0.590 -3.247 1.00 0.00 O ATOM 1562 CB ALA A 101 9.176 -1.035 -2.614 1.00 0.00 C ATOM 0 H ALA A 101 10.404 -2.679 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 101 10.876 -1.654 -3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.951 -0.175 -3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.572 -1.885 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.947 -0.794 -1.576 1.00 0.00 H new ATOM 1568 N ASN A 102 11.878 0.018 -1.145 1.00 0.00 N ATOM 1569 CA ASN A 102 12.740 1.195 -0.831 1.00 0.00 C ATOM 1570 C ASN A 102 14.136 0.939 -1.401 1.00 0.00 C ATOM 1571 O ASN A 102 15.134 1.238 -0.776 1.00 0.00 O ATOM 1572 CB ASN A 102 12.842 1.397 0.682 1.00 0.00 C ATOM 1573 CG ASN A 102 13.469 2.762 0.971 1.00 0.00 C ATOM 1574 OD1 ASN A 102 13.118 3.749 0.354 1.00 0.00 O ATOM 1575 ND2 ASN A 102 14.389 2.861 1.891 1.00 0.00 N ATOM 0 H ASN A 102 11.616 -0.568 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 102 12.303 2.091 -1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.853 1.335 1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.446 0.606 1.126 1.00 0.00 H new ATOM 0 HD21 ASN A 102 14.814 3.766 2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.684 2.033 2.409 1.00 0.00 H new ATOM 1582 N ASN A 103 14.213 0.372 -2.585 1.00 0.00 N ATOM 1583 CA ASN A 103 15.542 0.075 -3.205 1.00 0.00 C ATOM 1584 C ASN A 103 15.520 0.465 -4.704 1.00 0.00 C ATOM 1585 O ASN A 103 15.016 -0.294 -5.507 1.00 0.00 O ATOM 1586 CB ASN A 103 15.804 -1.431 -3.094 1.00 0.00 C ATOM 1587 CG ASN A 103 16.203 -1.779 -1.658 1.00 0.00 C ATOM 1588 OD1 ASN A 103 15.752 -1.150 -0.721 1.00 0.00 O ATOM 1589 ND2 ASN A 103 17.037 -2.759 -1.444 1.00 0.00 N ATOM 0 H ASN A 103 13.407 0.102 -3.149 1.00 0.00 H new ATOM 0 HA ASN A 103 16.320 0.641 -2.693 1.00 0.00 H new ATOM 0 HB2 ASN A 103 14.911 -1.988 -3.379 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.596 -1.724 -3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 103 17.310 -2.997 -0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 103 17.416 -3.287 -2.230 1.00 0.00 H new ATOM 1596 N PRO A 104 16.069 1.618 -5.061 1.00 0.00 N ATOM 1597 CA PRO A 104 16.097 2.051 -6.476 1.00 0.00 C ATOM 1598 C PRO A 104 16.779 0.986 -7.346 1.00 0.00 C ATOM 1599 O PRO A 104 16.577 0.938 -8.543 1.00 0.00 O ATOM 1600 CB PRO A 104 16.895 3.378 -6.469 1.00 0.00 C ATOM 1601 CG PRO A 104 17.083 3.792 -4.984 1.00 0.00 C ATOM 1602 CD PRO A 104 16.699 2.575 -4.118 1.00 0.00 C ATOM 0 HA PRO A 104 15.100 2.188 -6.894 1.00 0.00 H new ATOM 0 HB2 PRO A 104 17.861 3.249 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 104 16.360 4.152 -7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 104 18.115 4.088 -4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 104 16.456 4.650 -4.742 1.00 0.00 H new ATOM 0 HD2 PRO A 104 17.576 2.139 -3.639 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.009 2.858 -3.323 1.00 0.00 H new ATOM 1610 N GLN A 105 17.576 0.131 -6.768 1.00 0.00 N ATOM 1611 CA GLN A 105 18.246 -0.919 -7.589 1.00 0.00 C ATOM 1612 C GLN A 105 17.247 -2.043 -7.882 1.00 0.00 C ATOM 1613 O GLN A 105 16.881 -2.277 -9.016 1.00 0.00 O ATOM 1614 CB GLN A 105 19.451 -1.478 -6.830 1.00 0.00 C ATOM 1615 CG GLN A 105 20.360 -0.325 -6.397 1.00 0.00 C ATOM 1616 CD GLN A 105 20.903 0.390 -7.636 1.00 0.00 C ATOM 1617 OE1 GLN A 105 20.991 1.601 -7.663 1.00 0.00 O ATOM 1618 NE2 GLN A 105 21.273 -0.314 -8.670 1.00 0.00 N ATOM 0 H GLN A 105 17.792 0.112 -5.771 1.00 0.00 H new ATOM 0 HA GLN A 105 18.590 -0.485 -8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.116 -2.039 -5.957 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.003 -2.173 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 105 19.804 0.376 -5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 105 21.184 -0.705 -5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 105 21.199 -1.331 -8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 105 21.636 0.153 -9.501 1.00 0.00 H new ATOM 1627 N GLN A 106 16.798 -2.738 -6.870 1.00 0.00 N ATOM 1628 CA GLN A 106 15.815 -3.843 -7.093 1.00 0.00 C ATOM 1629 C GLN A 106 14.393 -3.286 -6.979 1.00 0.00 C ATOM 1630 O GLN A 106 13.731 -3.451 -5.973 1.00 0.00 O ATOM 1631 CB GLN A 106 16.023 -4.928 -6.034 1.00 0.00 C ATOM 1632 CG GLN A 106 17.465 -5.435 -6.098 1.00 0.00 C ATOM 1633 CD GLN A 106 17.679 -6.202 -7.404 1.00 0.00 C ATOM 1634 OE1 GLN A 106 16.732 -6.546 -8.083 1.00 0.00 O ATOM 1635 NE2 GLN A 106 18.893 -6.487 -7.788 1.00 0.00 N ATOM 0 H GLN A 106 17.069 -2.589 -5.898 1.00 0.00 H new ATOM 0 HA GLN A 106 15.962 -4.270 -8.085 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.811 -4.528 -5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.329 -5.752 -6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 106 18.159 -4.597 -6.038 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.672 -6.082 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.689 -6.199 -7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 106 19.046 -6.998 -8.657 1.00 0.00 H new ATOM 1644 N GLN A 107 13.920 -2.618 -8.000 1.00 0.00 N ATOM 1645 CA GLN A 107 12.541 -2.039 -7.953 1.00 0.00 C ATOM 1646 C GLN A 107 11.533 -3.014 -8.574 1.00 0.00 C ATOM 1647 O GLN A 107 10.342 -2.797 -8.520 1.00 0.00 O ATOM 1648 CB GLN A 107 12.520 -0.723 -8.735 1.00 0.00 C ATOM 1649 CG GLN A 107 12.951 -0.976 -10.181 1.00 0.00 C ATOM 1650 CD GLN A 107 13.084 0.360 -10.914 1.00 0.00 C ATOM 1651 OE1 GLN A 107 12.796 1.402 -10.359 1.00 0.00 O ATOM 1652 NE2 GLN A 107 13.511 0.374 -12.147 1.00 0.00 N ATOM 0 H GLN A 107 14.430 -2.448 -8.867 1.00 0.00 H new ATOM 0 HA GLN A 107 12.266 -1.860 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 107 11.519 -0.292 -8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 107 13.188 -0.000 -8.267 1.00 0.00 H new ATOM 0 HG2 GLN A 107 13.901 -1.510 -10.201 1.00 0.00 H new ATOM 0 HG3 GLN A 107 12.220 -1.608 -10.685 1.00 0.00 H new ATOM 0 HE21 GLN A 107 13.753 -0.501 -12.613 1.00 0.00 H new ATOM 0 HE22 GLN A 107 13.603 1.259 -12.645 1.00 0.00 H new ATOM 1661 N GLY A 108 11.988 -4.085 -9.171 1.00 0.00 N ATOM 1662 CA GLY A 108 11.032 -5.058 -9.790 1.00 0.00 C ATOM 1663 C GLY A 108 9.881 -5.330 -8.821 1.00 0.00 C ATOM 1664 O GLY A 108 8.741 -4.986 -9.066 1.00 0.00 O ATOM 0 H GLY A 108 12.974 -4.329 -9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.645 -4.658 -10.727 1.00 0.00 H new ATOM 0 HA3 GLY A 108 11.547 -5.988 -10.029 1.00 0.00 H new ATOM 1668 N LEU A 109 10.199 -5.924 -7.712 1.00 0.00 N ATOM 1669 CA LEU A 109 9.161 -6.209 -6.681 1.00 0.00 C ATOM 1670 C LEU A 109 8.288 -4.960 -6.498 1.00 0.00 C ATOM 1671 O LEU A 109 7.077 -5.056 -6.518 1.00 0.00 O ATOM 1672 CB LEU A 109 9.821 -6.605 -5.348 1.00 0.00 C ATOM 1673 CG LEU A 109 10.398 -8.037 -5.410 1.00 0.00 C ATOM 1674 CD1 LEU A 109 9.292 -9.082 -5.220 1.00 0.00 C ATOM 1675 CD2 LEU A 109 11.113 -8.297 -6.744 1.00 0.00 C ATOM 0 H LEU A 109 11.142 -6.229 -7.469 1.00 0.00 H new ATOM 0 HA LEU A 109 8.540 -7.043 -7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.618 -5.900 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.088 -6.541 -4.544 1.00 0.00 H new ATOM 0 HG LEU A 109 11.122 -8.124 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 109 9.724 -10.082 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.818 -8.938 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.547 -8.971 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.507 -9.313 -6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.407 -8.173 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.933 -7.589 -6.861 1.00 0.00 H new ATOM 1687 N ARG A 110 8.871 -3.799 -6.310 1.00 0.00 N ATOM 1688 CA ARG A 110 8.033 -2.560 -6.120 1.00 0.00 C ATOM 1689 C ARG A 110 6.844 -2.577 -7.086 1.00 0.00 C ATOM 1690 O ARG A 110 5.752 -2.168 -6.743 1.00 0.00 O ATOM 1691 CB ARG A 110 8.869 -1.301 -6.371 1.00 0.00 C ATOM 1692 CG ARG A 110 8.072 -0.064 -5.949 1.00 0.00 C ATOM 1693 CD ARG A 110 8.979 1.168 -5.999 1.00 0.00 C ATOM 1694 NE ARG A 110 9.643 1.242 -7.331 1.00 0.00 N ATOM 1695 CZ ARG A 110 10.224 2.347 -7.712 1.00 0.00 C ATOM 1696 NH1 ARG A 110 10.226 3.389 -6.927 1.00 0.00 N ATOM 1697 NH2 ARG A 110 10.804 2.409 -8.880 1.00 0.00 N ATOM 0 H ARG A 110 9.880 -3.651 -6.279 1.00 0.00 H new ATOM 0 HA ARG A 110 7.670 -2.548 -5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 110 9.802 -1.354 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 110 9.135 -1.233 -7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.217 0.074 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.678 -0.198 -4.942 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.394 2.071 -5.821 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.729 1.113 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 110 9.643 0.428 -7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.773 3.341 -6.014 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.680 4.252 -7.226 1.00 0.00 H new ATOM 0 HH21 ARG A 110 10.803 1.594 -9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 110 11.258 3.272 -9.179 1.00 0.00 H new ATOM 1711 N ARG A 111 7.032 -3.081 -8.273 1.00 0.00 N ATOM 1712 CA ARG A 111 5.889 -3.156 -9.233 1.00 0.00 C ATOM 1713 C ARG A 111 5.108 -4.438 -8.941 1.00 0.00 C ATOM 1714 O ARG A 111 3.893 -4.457 -9.015 1.00 0.00 O ATOM 1715 CB ARG A 111 6.393 -3.158 -10.683 1.00 0.00 C ATOM 1716 CG ARG A 111 7.336 -1.955 -10.937 1.00 0.00 C ATOM 1717 CD ARG A 111 8.472 -2.371 -11.880 1.00 0.00 C ATOM 1718 NE ARG A 111 9.214 -1.162 -12.337 1.00 0.00 N ATOM 1719 CZ ARG A 111 10.389 -1.289 -12.892 1.00 0.00 C ATOM 1720 NH1 ARG A 111 10.913 -2.474 -13.050 1.00 0.00 N ATOM 1721 NH2 ARG A 111 11.039 -0.230 -13.290 1.00 0.00 N ATOM 0 H ARG A 111 7.920 -3.443 -8.621 1.00 0.00 H new ATOM 0 HA ARG A 111 5.246 -2.284 -9.110 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.920 -4.090 -10.889 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.546 -3.113 -11.368 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.775 -1.128 -11.372 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.748 -1.599 -9.993 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.150 -3.054 -11.369 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.067 -2.907 -12.738 1.00 0.00 H new ATOM 0 HE ARG A 111 8.804 -0.236 -12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.404 -3.302 -12.740 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.831 -2.572 -13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.629 0.696 -13.167 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.957 -0.328 -13.724 1.00 0.00 H new ATOM 1735 N GLU A 112 5.764 -5.497 -8.559 1.00 0.00 N ATOM 1736 CA GLU A 112 4.996 -6.725 -8.221 1.00 0.00 C ATOM 1737 C GLU A 112 4.158 -6.397 -6.988 1.00 0.00 C ATOM 1738 O GLU A 112 3.028 -6.818 -6.847 1.00 0.00 O ATOM 1739 CB GLU A 112 5.951 -7.888 -7.918 1.00 0.00 C ATOM 1740 CG GLU A 112 5.207 -9.218 -8.058 1.00 0.00 C ATOM 1741 CD GLU A 112 6.159 -10.372 -7.739 1.00 0.00 C ATOM 1742 OE1 GLU A 112 7.151 -10.507 -8.437 1.00 0.00 O ATOM 1743 OE2 GLU A 112 5.881 -11.102 -6.801 1.00 0.00 O ATOM 0 H GLU A 112 6.778 -5.566 -8.467 1.00 0.00 H new ATOM 0 HA GLU A 112 4.364 -7.028 -9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 112 6.800 -7.862 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.351 -7.789 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 112 4.352 -9.241 -7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 112 4.817 -9.324 -9.070 1.00 0.00 H new ATOM 1750 N TYR A 113 4.716 -5.619 -6.103 1.00 0.00 N ATOM 1751 CA TYR A 113 3.968 -5.223 -4.882 1.00 0.00 C ATOM 1752 C TYR A 113 2.608 -4.670 -5.323 1.00 0.00 C ATOM 1753 O TYR A 113 1.577 -5.260 -5.067 1.00 0.00 O ATOM 1754 CB TYR A 113 4.760 -4.141 -4.123 1.00 0.00 C ATOM 1755 CG TYR A 113 5.725 -4.783 -3.147 1.00 0.00 C ATOM 1756 CD1 TYR A 113 6.388 -5.974 -3.481 1.00 0.00 C ATOM 1757 CD2 TYR A 113 5.955 -4.184 -1.903 1.00 0.00 C ATOM 1758 CE1 TYR A 113 7.275 -6.559 -2.572 1.00 0.00 C ATOM 1759 CE2 TYR A 113 6.842 -4.771 -0.995 1.00 0.00 C ATOM 1760 CZ TYR A 113 7.502 -5.959 -1.329 1.00 0.00 C ATOM 1761 OH TYR A 113 8.376 -6.539 -0.435 1.00 0.00 O ATOM 0 H TYR A 113 5.660 -5.240 -6.175 1.00 0.00 H new ATOM 0 HA TYR A 113 3.828 -6.078 -4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 113 5.308 -3.518 -4.830 1.00 0.00 H new ATOM 0 HB3 TYR A 113 4.073 -3.486 -3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.213 -6.439 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 113 5.447 -3.267 -1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.785 -7.475 -2.830 1.00 0.00 H new ATOM 0 HE2 TYR A 113 7.018 -4.307 -0.036 1.00 0.00 H new ATOM 0 HH TYR A 113 8.377 -7.511 -0.562 1.00 0.00 H new ATOM 1771 N GLN A 114 2.608 -3.533 -5.974 1.00 0.00 N ATOM 1772 CA GLN A 114 1.328 -2.909 -6.437 1.00 0.00 C ATOM 1773 C GLN A 114 0.357 -3.978 -6.950 1.00 0.00 C ATOM 1774 O GLN A 114 -0.844 -3.851 -6.814 1.00 0.00 O ATOM 1775 CB GLN A 114 1.628 -1.924 -7.571 1.00 0.00 C ATOM 1776 CG GLN A 114 2.646 -0.885 -7.097 1.00 0.00 C ATOM 1777 CD GLN A 114 2.992 0.055 -8.253 1.00 0.00 C ATOM 1778 OE1 GLN A 114 3.924 0.829 -8.164 1.00 0.00 O ATOM 1779 NE2 GLN A 114 2.275 0.021 -9.343 1.00 0.00 N ATOM 0 H GLN A 114 3.449 -3.005 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 114 0.869 -2.391 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 114 2.017 -2.459 -8.437 1.00 0.00 H new ATOM 0 HB3 GLN A 114 0.710 -1.429 -7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.239 -0.316 -6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 114 3.547 -1.381 -6.736 1.00 0.00 H new ATOM 0 HE21 GLN A 114 1.492 -0.629 -9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.497 0.644 -10.119 1.00 0.00 H new ATOM 1788 N GLN A 115 0.860 -5.027 -7.541 1.00 0.00 N ATOM 1789 CA GLN A 115 -0.050 -6.089 -8.061 1.00 0.00 C ATOM 1790 C GLN A 115 -0.587 -6.934 -6.899 1.00 0.00 C ATOM 1791 O GLN A 115 -1.736 -7.329 -6.889 1.00 0.00 O ATOM 1792 CB GLN A 115 0.709 -6.987 -9.042 1.00 0.00 C ATOM 1793 CG GLN A 115 1.212 -6.148 -10.218 1.00 0.00 C ATOM 1794 CD GLN A 115 1.915 -7.055 -11.231 1.00 0.00 C ATOM 1795 OE1 GLN A 115 3.126 -7.146 -11.244 1.00 0.00 O ATOM 1796 NE2 GLN A 115 1.200 -7.734 -12.087 1.00 0.00 N ATOM 0 H GLN A 115 1.856 -5.195 -7.686 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.887 -5.618 -8.577 1.00 0.00 H new ATOM 0 HB2 GLN A 115 1.548 -7.466 -8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.057 -7.783 -9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.378 -5.633 -10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.900 -5.381 -9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 115 0.183 -7.658 -12.076 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.659 -8.341 -12.767 1.00 0.00 H new ATOM 1805 N LEU A 116 0.231 -7.214 -5.918 1.00 0.00 N ATOM 1806 CA LEU A 116 -0.239 -8.033 -4.758 1.00 0.00 C ATOM 1807 C LEU A 116 -0.847 -7.111 -3.698 1.00 0.00 C ATOM 1808 O LEU A 116 -1.678 -7.513 -2.904 1.00 0.00 O ATOM 1809 CB LEU A 116 0.948 -8.788 -4.150 1.00 0.00 C ATOM 1810 CG LEU A 116 1.729 -9.512 -5.253 1.00 0.00 C ATOM 1811 CD1 LEU A 116 2.977 -10.160 -4.647 1.00 0.00 C ATOM 1812 CD2 LEU A 116 0.847 -10.596 -5.888 1.00 0.00 C ATOM 0 H LEU A 116 1.204 -6.912 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.990 -8.746 -5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.603 -8.092 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.593 -9.507 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 116 2.023 -8.794 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.535 -10.676 -5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.606 -9.390 -4.200 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.680 -10.876 -3.881 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.406 -11.108 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.549 -11.316 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.042 -10.135 -6.319 1.00 0.00 H new ATOM 1824 N TRP A 117 -0.456 -5.868 -3.697 1.00 0.00 N ATOM 1825 CA TRP A 117 -1.012 -4.905 -2.714 1.00 0.00 C ATOM 1826 C TRP A 117 -2.426 -4.499 -3.148 1.00 0.00 C ATOM 1827 O TRP A 117 -3.315 -4.347 -2.333 1.00 0.00 O ATOM 1828 CB TRP A 117 -0.110 -3.656 -2.670 1.00 0.00 C ATOM 1829 CG TRP A 117 1.012 -3.853 -1.697 1.00 0.00 C ATOM 1830 CD1 TRP A 117 2.054 -4.697 -1.869 1.00 0.00 C ATOM 1831 CD2 TRP A 117 1.222 -3.200 -0.412 1.00 0.00 C ATOM 1832 NE1 TRP A 117 2.889 -4.607 -0.769 1.00 0.00 N ATOM 1833 CE2 TRP A 117 2.418 -3.696 0.156 1.00 0.00 C ATOM 1834 CE3 TRP A 117 0.496 -2.235 0.309 1.00 0.00 C ATOM 1835 CZ2 TRP A 117 2.879 -3.251 1.396 1.00 0.00 C ATOM 1836 CZ3 TRP A 117 0.956 -1.784 1.557 1.00 0.00 C ATOM 1837 CH2 TRP A 117 2.145 -2.291 2.099 1.00 0.00 C ATOM 0 H TRP A 117 0.231 -5.477 -4.342 1.00 0.00 H new ATOM 0 HA TRP A 117 -1.053 -5.364 -1.726 1.00 0.00 H new ATOM 0 HB2 TRP A 117 0.293 -3.456 -3.663 1.00 0.00 H new ATOM 0 HB3 TRP A 117 -0.699 -2.785 -2.383 1.00 0.00 H new ATOM 0 HD1 TRP A 117 2.209 -5.337 -2.725 1.00 0.00 H new ATOM 0 HE1 TRP A 117 3.747 -5.147 -0.655 1.00 0.00 H new ATOM 0 HE3 TRP A 117 -0.421 -1.838 -0.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 3.796 -3.645 1.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 0.391 -1.043 2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 117 2.494 -1.940 3.059 1.00 0.00 H new ATOM 1848 N LEU A 118 -2.667 -4.344 -4.423 1.00 0.00 N ATOM 1849 CA LEU A 118 -4.035 -3.961 -4.860 1.00 0.00 C ATOM 1850 C LEU A 118 -4.922 -5.206 -4.869 1.00 0.00 C ATOM 1851 O LEU A 118 -6.113 -5.127 -4.644 1.00 0.00 O ATOM 1852 CB LEU A 118 -3.971 -3.324 -6.252 1.00 0.00 C ATOM 1853 CG LEU A 118 -3.097 -2.057 -6.196 1.00 0.00 C ATOM 1854 CD1 LEU A 118 -2.753 -1.611 -7.621 1.00 0.00 C ATOM 1855 CD2 LEU A 118 -3.839 -0.917 -5.467 1.00 0.00 C ATOM 0 H LEU A 118 -1.983 -4.465 -5.170 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.460 -3.231 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.558 -4.033 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.974 -3.072 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.183 -2.287 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.134 -0.714 -7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.208 -2.406 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -3.672 -1.395 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.205 -0.031 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.762 -0.686 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.074 -1.228 -4.449 1.00 0.00 H new ATOM 1867 N ALA A 119 -4.351 -6.364 -5.080 1.00 0.00 N ATOM 1868 CA ALA A 119 -5.178 -7.600 -5.043 1.00 0.00 C ATOM 1869 C ALA A 119 -5.562 -7.837 -3.585 1.00 0.00 C ATOM 1870 O ALA A 119 -6.530 -8.506 -3.284 1.00 0.00 O ATOM 1871 CB ALA A 119 -4.391 -8.791 -5.595 1.00 0.00 C ATOM 0 H ALA A 119 -3.359 -6.504 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.068 -7.488 -5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -5.013 -9.686 -5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -4.103 -8.590 -6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -3.496 -8.947 -4.992 1.00 0.00 H new ATOM 1877 N ALA A 120 -4.850 -7.219 -2.679 1.00 0.00 N ATOM 1878 CA ALA A 120 -5.208 -7.318 -1.236 1.00 0.00 C ATOM 1879 C ALA A 120 -5.995 -6.057 -0.889 1.00 0.00 C ATOM 1880 O ALA A 120 -6.476 -5.911 0.209 1.00 0.00 O ATOM 1881 CB ALA A 120 -3.944 -7.386 -0.379 1.00 0.00 C ATOM 0 H ALA A 120 -4.030 -6.646 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.793 -8.218 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.221 -7.458 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.360 -8.262 -0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.349 -6.487 -0.537 1.00 0.00 H new ATOM 1887 N PHE A 121 -6.138 -5.151 -1.841 1.00 0.00 N ATOM 1888 CA PHE A 121 -6.922 -3.892 -1.600 1.00 0.00 C ATOM 1889 C PHE A 121 -8.255 -3.957 -2.374 1.00 0.00 C ATOM 1890 O PHE A 121 -9.192 -3.256 -2.053 1.00 0.00 O ATOM 1891 CB PHE A 121 -6.114 -2.652 -2.037 1.00 0.00 C ATOM 1892 CG PHE A 121 -6.510 -1.454 -1.196 1.00 0.00 C ATOM 1893 CD1 PHE A 121 -7.707 -0.777 -1.462 1.00 0.00 C ATOM 1894 CD2 PHE A 121 -5.686 -1.029 -0.146 1.00 0.00 C ATOM 1895 CE1 PHE A 121 -8.079 0.321 -0.680 1.00 0.00 C ATOM 1896 CE2 PHE A 121 -6.058 0.072 0.634 1.00 0.00 C ATOM 1897 CZ PHE A 121 -7.254 0.746 0.368 1.00 0.00 C ATOM 0 H PHE A 121 -5.742 -5.234 -2.777 1.00 0.00 H new ATOM 0 HA PHE A 121 -7.127 -3.806 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -5.047 -2.846 -1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -6.295 -2.443 -3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.343 -1.103 -2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -4.764 -1.551 0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -9.003 0.841 -0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.421 0.401 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 121 -7.541 1.595 0.971 1.00 0.00 H new ATOM 1907 N ALA A 122 -8.367 -4.808 -3.363 1.00 0.00 N ATOM 1908 CA ALA A 122 -9.661 -4.926 -4.122 1.00 0.00 C ATOM 1909 C ALA A 122 -10.418 -6.162 -3.627 1.00 0.00 C ATOM 1910 O ALA A 122 -11.617 -6.266 -3.800 1.00 0.00 O ATOM 1911 CB ALA A 122 -9.385 -5.022 -5.635 1.00 0.00 C ATOM 0 H ALA A 122 -7.622 -5.428 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.271 -4.040 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -10.329 -5.107 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.858 -4.127 -5.966 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -8.772 -5.900 -5.838 1.00 0.00 H new ATOM 1917 N ALA A 123 -9.756 -7.071 -2.976 1.00 0.00 N ATOM 1918 CA ALA A 123 -10.471 -8.261 -2.431 1.00 0.00 C ATOM 1919 C ALA A 123 -10.800 -7.954 -0.973 1.00 0.00 C ATOM 1920 O ALA A 123 -11.163 -8.812 -0.206 1.00 0.00 O ATOM 1921 CB ALA A 123 -9.552 -9.483 -2.499 1.00 0.00 C ATOM 0 H ALA A 123 -8.752 -7.045 -2.796 1.00 0.00 H new ATOM 0 HA ALA A 123 -11.375 -8.471 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -10.074 -10.353 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -9.272 -9.671 -3.536 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -8.655 -9.297 -1.909 1.00 0.00 H new ATOM 1927 N LEU A 124 -10.603 -6.727 -0.582 1.00 0.00 N ATOM 1928 CA LEU A 124 -10.818 -6.332 0.838 1.00 0.00 C ATOM 1929 C LEU A 124 -12.255 -6.675 1.339 1.00 0.00 C ATOM 1930 O LEU A 124 -12.406 -7.438 2.272 1.00 0.00 O ATOM 1931 CB LEU A 124 -10.564 -4.816 0.959 1.00 0.00 C ATOM 1932 CG LEU A 124 -9.130 -4.493 1.445 1.00 0.00 C ATOM 1933 CD1 LEU A 124 -8.848 -3.002 1.232 1.00 0.00 C ATOM 1934 CD2 LEU A 124 -8.931 -4.802 2.932 1.00 0.00 C ATOM 0 H LEU A 124 -10.298 -5.970 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 124 -10.126 -6.895 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -10.731 -4.344 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -11.285 -4.384 1.653 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.449 -5.119 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.839 -2.770 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -8.937 -2.763 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -9.567 -2.411 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -7.909 -4.557 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.627 -4.208 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.115 -5.861 3.111 1.00 0.00 H new ATOM 1946 N PRO A 125 -13.277 -6.060 0.725 1.00 0.00 N ATOM 1947 CA PRO A 125 -14.689 -6.256 1.136 1.00 0.00 C ATOM 1948 C PRO A 125 -15.006 -7.724 1.291 1.00 0.00 C ATOM 1949 O PRO A 125 -15.358 -8.181 2.361 1.00 0.00 O ATOM 1950 CB PRO A 125 -15.531 -5.615 0.000 1.00 0.00 C ATOM 1951 CG PRO A 125 -14.534 -5.096 -1.063 1.00 0.00 C ATOM 1952 CD PRO A 125 -13.132 -5.154 -0.437 1.00 0.00 C ATOM 0 HA PRO A 125 -14.902 -5.800 2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.212 -6.346 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -16.143 -4.799 0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.579 -5.708 -1.964 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -14.782 -4.076 -1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -12.397 -5.534 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -12.795 -4.165 -0.128 1.00 0.00 H new ATOM 1960 N GLY A 126 -14.907 -8.468 0.236 1.00 0.00 N ATOM 1961 CA GLY A 126 -15.234 -9.910 0.340 1.00 0.00 C ATOM 1962 C GLY A 126 -14.017 -10.695 0.813 1.00 0.00 C ATOM 1963 O GLY A 126 -13.527 -11.591 0.155 1.00 0.00 O ATOM 0 H GLY A 126 -14.617 -8.146 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -16.061 -10.053 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -15.564 -10.286 -0.628 1.00 0.00 H new ATOM 1967 N SER A 127 -13.601 -10.403 2.021 1.00 0.00 N ATOM 1968 CA SER A 127 -12.485 -11.160 2.662 1.00 0.00 C ATOM 1969 C SER A 127 -11.935 -10.366 3.841 1.00 0.00 C ATOM 1970 O SER A 127 -12.064 -10.768 4.981 1.00 0.00 O ATOM 1971 CB SER A 127 -11.379 -11.479 1.644 1.00 0.00 C ATOM 1972 OG SER A 127 -11.575 -12.795 1.144 1.00 0.00 O ATOM 0 H SER A 127 -13.995 -9.660 2.598 1.00 0.00 H new ATOM 0 HA SER A 127 -12.871 -12.110 3.031 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.401 -10.759 0.826 1.00 0.00 H new ATOM 0 HB3 SER A 127 -10.399 -11.397 2.115 1.00 0.00 H new ATOM 0 HG SER A 127 -12.483 -12.876 0.784 1.00 0.00 H new ATOM 1978 N ALA A 128 -11.306 -9.261 3.576 1.00 0.00 N ATOM 1979 CA ALA A 128 -10.712 -8.438 4.673 1.00 0.00 C ATOM 1980 C ALA A 128 -11.257 -7.008 4.614 1.00 0.00 C ATOM 1981 O ALA A 128 -10.944 -6.287 3.709 1.00 0.00 O ATOM 1982 CB ALA A 128 -9.191 -8.399 4.462 1.00 0.00 C ATOM 0 H ALA A 128 -11.174 -8.884 2.638 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.964 -8.872 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -8.730 -7.804 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -8.793 -9.413 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -8.969 -7.952 3.493 1.00 0.00 H new ATOM 1988 N LYS A 129 -12.063 -6.593 5.572 1.00 0.00 N ATOM 1989 CA LYS A 129 -12.600 -5.180 5.563 1.00 0.00 C ATOM 1990 C LYS A 129 -13.878 -5.078 6.386 1.00 0.00 C ATOM 1991 O LYS A 129 -14.114 -4.111 7.081 1.00 0.00 O ATOM 1992 CB LYS A 129 -12.915 -4.725 4.115 1.00 0.00 C ATOM 1993 CG LYS A 129 -14.078 -3.705 4.072 1.00 0.00 C ATOM 1994 CD LYS A 129 -14.170 -3.044 2.688 1.00 0.00 C ATOM 1995 CE LYS A 129 -13.246 -1.821 2.619 1.00 0.00 C ATOM 1996 NZ LYS A 129 -13.251 -1.274 1.233 1.00 0.00 N ATOM 0 H LYS A 129 -12.372 -7.166 6.357 1.00 0.00 H new ATOM 0 HA LYS A 129 -11.833 -4.538 5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -12.024 -4.279 3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -13.171 -5.594 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -15.017 -4.207 4.304 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -13.927 -2.942 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -13.893 -3.762 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -15.198 -2.743 2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -13.580 -1.059 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -12.233 -2.100 2.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -13.205 -0.236 1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -12.428 -1.639 0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -14.124 -1.565 0.748 1.00 0.00 H new ATOM 2010 N ASP A 130 -14.719 -6.052 6.257 1.00 0.00 N ATOM 2011 CA ASP A 130 -16.011 -5.980 6.990 1.00 0.00 C ATOM 2012 C ASP A 130 -16.685 -4.637 6.645 1.00 0.00 C ATOM 2013 O ASP A 130 -16.662 -3.723 7.445 1.00 0.00 O ATOM 2014 CB ASP A 130 -15.722 -6.021 8.497 1.00 0.00 C ATOM 2015 CG ASP A 130 -14.711 -7.131 8.791 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -14.795 -8.166 8.151 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -13.869 -6.926 9.650 1.00 0.00 O ATOM 0 H ASP A 130 -14.577 -6.885 5.686 1.00 0.00 H new ATOM 0 HA ASP A 130 -16.659 -6.812 6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -15.330 -5.060 8.830 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -16.644 -6.198 9.051 1.00 0.00 H new ATOM 2022 N PRO A 131 -17.274 -4.547 5.463 1.00 0.00 N ATOM 2023 CA PRO A 131 -17.957 -3.311 5.019 1.00 0.00 C ATOM 2024 C PRO A 131 -19.169 -3.068 5.929 1.00 0.00 C ATOM 2025 O PRO A 131 -19.963 -2.176 5.706 1.00 0.00 O ATOM 2026 CB PRO A 131 -18.346 -3.554 3.544 1.00 0.00 C ATOM 2027 CG PRO A 131 -17.842 -4.984 3.183 1.00 0.00 C ATOM 2028 CD PRO A 131 -17.318 -5.647 4.483 1.00 0.00 C ATOM 0 HA PRO A 131 -17.336 -2.418 5.086 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -19.425 -3.478 3.410 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -17.890 -2.807 2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -18.650 -5.576 2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -17.051 -4.932 2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -17.978 -6.448 4.814 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -16.332 -6.087 4.335 1.00 0.00 H new