USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 973 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 116 GLN : amide:sc= -4.34! C(o=-4.4!,f=-7.1!) USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= -0.0237 USER MOD Set 2.1: A 57 HIS : no HD1:sc= -10.5! C(o=-10!,f=-13!) USER MOD Set 2.2: B 344 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0843 X(o=-0.084,f=0) USER MOD Single : A 26 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.2!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -8.15! C(o=-8.7!,f=-8.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= -1.55 (180deg=-1.89) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.72) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= -2.73! (180deg=-3.11) USER MOD Single : A 59 ASN : amide:sc= -0.0169 X(o=-0.017,f=-0.28) USER MOD Single : A 60 MET CE :methyl 156:sc= -4.78! (180deg=-6.49!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00761 X(o=-0.0076,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.615 K(o=-0.62,f=-1.8) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.302 F(o=-1.4,f=-0.3) USER MOD Single : A 77 GLN : amide:sc= 0.135 X(o=0.14,f=-0.012) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.16 F(o=-2.3!,f=-1.2) USER MOD Single : A 86 HIS : no HD1:sc= -5.56! C(o=-5.5!,f=-7.5!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0649 USER MOD Single : A 88 MET CE :methyl -143:sc= -1.07 (180deg=-2.09!) USER MOD Single : A 90 SER OG : rot -74:sc= 0.785 USER MOD Single : A 92 SER OG : rot -81:sc= 1.03 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.102 USER MOD Single : A 99 TYR OH : rot 165:sc= 0 USER MOD Single : A 101 SER OG : rot 26:sc= 0.187 USER MOD Single : A 110 TYR OH : rot 141:sc= 0.729 USER MOD Single : A 111 MET CE :methyl -120:sc= -3.29! (180deg=-6.8!) USER MOD Single : A 113 TYR OH : rot 18:sc= 0.386 USER MOD Single : A 115 SER OG : rot -57:sc= 0.92 USER MOD Single : B 339 THR OG1 : rot 122:sc= -3.03! USER MOD Single : B 340 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot 120:sc= -2.11! USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 -0.439 -17.215 -2.974 1.00 41.44 N ATOM 222 CA PHE A 13 0.700 -16.734 -2.209 1.00 63.33 C ATOM 223 C PHE A 13 2.014 -17.051 -2.926 1.00 44.41 C ATOM 224 O PHE A 13 2.933 -16.234 -2.934 1.00 20.03 O ATOM 225 CB PHE A 13 0.677 -17.464 -0.865 1.00 2.14 C ATOM 226 CG PHE A 13 1.316 -16.678 0.281 1.00 71.11 C ATOM 227 CD1 PHE A 13 0.995 -15.369 0.470 1.00 23.23 C ATOM 228 CD2 PHE A 13 2.205 -17.286 1.111 1.00 5.52 C ATOM 229 CE1 PHE A 13 1.589 -14.640 1.533 1.00 5.13 C ATOM 230 CE2 PHE A 13 2.800 -16.557 2.174 1.00 33.33 C ATOM 231 CZ PHE A 13 2.478 -15.248 2.363 1.00 61.43 C ATOM 0 HA PHE A 13 0.636 -15.653 -2.085 1.00 63.33 H new ATOM 0 HB2 PHE A 13 -0.357 -17.691 -0.604 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.195 -18.417 -0.972 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.289 -14.885 -0.188 1.00 23.23 H new ATOM 0 HD2 PHE A 13 2.459 -18.325 0.961 1.00 5.52 H new ATOM 0 HE1 PHE A 13 1.335 -13.601 1.683 1.00 5.13 H new ATOM 0 HE2 PHE A 13 3.507 -17.040 2.832 1.00 33.33 H new ATOM 0 HZ PHE A 13 2.929 -14.692 3.172 1.00 61.43 H new ATOM 241 N GLU A 14 2.061 -18.239 -3.510 1.00 55.44 N ATOM 242 CA GLU A 14 3.247 -18.674 -4.228 1.00 2.44 C ATOM 243 C GLU A 14 3.473 -17.798 -5.461 1.00 21.01 C ATOM 244 O GLU A 14 4.611 -17.582 -5.874 1.00 32.24 O ATOM 245 CB GLU A 14 3.143 -20.151 -4.615 1.00 3.33 C ATOM 246 CG GLU A 14 3.675 -21.049 -3.497 1.00 34.15 C ATOM 247 CD GLU A 14 3.116 -22.468 -3.621 1.00 72.44 C ATOM 248 OE1 GLU A 14 3.889 -23.432 -3.729 1.00 44.41 O ATOM 249 OE2 GLU A 14 1.828 -22.549 -3.601 1.00 21.22 O ATOM 0 H GLU A 14 1.297 -18.914 -3.501 1.00 55.44 H new ATOM 0 HA GLU A 14 4.107 -18.565 -3.568 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.104 -20.403 -4.825 1.00 3.33 H new ATOM 0 HB3 GLU A 14 3.706 -20.331 -5.530 1.00 3.33 H new ATOM 0 HG2 GLU A 14 4.764 -21.078 -3.536 1.00 34.15 H new ATOM 0 HG3 GLU A 14 3.402 -20.630 -2.528 1.00 34.15 H new ATOM 257 N GLN A 15 2.369 -17.317 -6.016 1.00 45.15 N ATOM 258 CA GLN A 15 2.431 -16.471 -7.194 1.00 41.13 C ATOM 259 C GLN A 15 3.010 -15.100 -6.833 1.00 53.54 C ATOM 260 O GLN A 15 3.896 -14.596 -7.521 1.00 72.22 O ATOM 261 CB GLN A 15 1.053 -16.329 -7.843 1.00 53.44 C ATOM 262 CG GLN A 15 0.600 -17.653 -8.463 1.00 54.20 C ATOM 263 CD GLN A 15 1.045 -17.755 -9.923 1.00 14.33 C ATOM 264 OE1 GLN A 15 1.868 -18.576 -10.293 1.00 75.04 O ATOM 265 NE2 GLN A 15 0.456 -16.876 -10.730 1.00 10.33 N ATOM 0 H GLN A 15 1.427 -17.498 -5.670 1.00 45.15 H new ATOM 0 HA GLN A 15 3.091 -16.944 -7.921 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.327 -16.006 -7.097 1.00 53.44 H new ATOM 0 HB3 GLN A 15 1.087 -15.556 -8.611 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.014 -18.486 -7.894 1.00 54.20 H new ATOM 0 HG3 GLN A 15 -0.485 -17.734 -8.403 1.00 54.20 H new ATOM 0 HE21 GLN A 15 -0.225 -16.216 -10.355 1.00 10.33 H new ATOM 0 HE22 GLN A 15 0.685 -16.863 -11.724 1.00 10.33 H new ATOM 274 N ARG A 16 2.486 -14.538 -5.755 1.00 3.03 N ATOM 275 CA ARG A 16 2.940 -13.236 -5.293 1.00 14.35 C ATOM 276 C ARG A 16 4.424 -13.291 -4.926 1.00 53.10 C ATOM 277 O ARG A 16 5.223 -12.509 -5.440 1.00 3.11 O ATOM 278 CB ARG A 16 2.136 -12.773 -4.076 1.00 24.11 C ATOM 279 CG ARG A 16 0.633 -12.838 -4.355 1.00 72.42 C ATOM 280 CD ARG A 16 0.276 -12.062 -5.623 1.00 11.40 C ATOM 281 NE ARG A 16 0.428 -12.935 -6.810 1.00 51.11 N ATOM 282 CZ ARG A 16 0.352 -12.497 -8.085 1.00 12.01 C ATOM 283 NH1 ARG A 16 0.124 -11.194 -8.350 1.00 15.11 N ATOM 284 NH2 ARG A 16 0.502 -13.365 -9.068 1.00 73.11 N ATOM 0 H ARG A 16 1.751 -14.960 -5.187 1.00 3.03 H new ATOM 0 HA ARG A 16 2.790 -12.524 -6.105 1.00 14.35 H new ATOM 0 HB2 ARG A 16 2.377 -13.399 -3.217 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.418 -11.752 -3.816 1.00 24.11 H new ATOM 0 HG2 ARG A 16 0.324 -13.878 -4.462 1.00 72.42 H new ATOM 0 HG3 ARG A 16 0.084 -12.428 -3.507 1.00 72.42 H new ATOM 0 HD2 ARG A 16 -0.749 -11.696 -5.559 1.00 11.40 H new ATOM 0 HD3 ARG A 16 0.921 -11.189 -5.719 1.00 11.40 H new ATOM 0 HE ARG A 16 0.601 -13.928 -6.655 1.00 51.11 H new ATOM 0 HH11 ARG A 16 0.007 -10.531 -7.584 1.00 15.11 H new ATOM 0 HH12 ARG A 16 0.068 -10.872 -9.316 1.00 15.11 H new ATOM 0 HH21 ARG A 16 0.672 -14.349 -8.858 1.00 73.11 H new ATOM 0 HH22 ARG A 16 0.448 -13.052 -10.037 1.00 73.11 H new ATOM 297 N VAL A 17 4.748 -14.222 -4.041 1.00 23.21 N ATOM 298 CA VAL A 17 6.121 -14.388 -3.599 1.00 72.24 C ATOM 299 C VAL A 17 7.018 -14.629 -4.815 1.00 12.31 C ATOM 300 O VAL A 17 8.144 -14.136 -4.867 1.00 41.11 O ATOM 301 CB VAL A 17 6.205 -15.511 -2.562 1.00 61.12 C ATOM 302 CG1 VAL A 17 5.631 -16.815 -3.119 1.00 70.24 C ATOM 303 CG2 VAL A 17 7.644 -15.706 -2.080 1.00 4.10 C ATOM 0 H VAL A 17 4.083 -14.869 -3.618 1.00 23.21 H new ATOM 0 HA VAL A 17 6.476 -13.482 -3.107 1.00 72.24 H new ATOM 0 HB VAL A 17 5.601 -15.220 -1.703 1.00 61.12 H new ATOM 0 HG11 VAL A 17 5.703 -17.597 -2.363 1.00 70.24 H new ATOM 0 HG12 VAL A 17 4.586 -16.666 -3.389 1.00 70.24 H new ATOM 0 HG13 VAL A 17 6.195 -17.113 -4.003 1.00 70.24 H new ATOM 0 HG21 VAL A 17 7.675 -16.509 -1.344 1.00 4.10 H new ATOM 0 HG22 VAL A 17 8.280 -15.965 -2.927 1.00 4.10 H new ATOM 0 HG23 VAL A 17 8.004 -14.783 -1.625 1.00 4.10 H new ATOM 313 N GLU A 18 6.485 -15.387 -5.762 1.00 25.41 N ATOM 314 CA GLU A 18 7.223 -15.699 -6.974 1.00 5.04 C ATOM 315 C GLU A 18 7.683 -14.412 -7.662 1.00 14.13 C ATOM 316 O GLU A 18 8.877 -14.214 -7.882 1.00 42.13 O ATOM 317 CB GLU A 18 6.383 -16.558 -7.922 1.00 74.55 C ATOM 318 CG GLU A 18 7.082 -16.729 -9.272 1.00 43.23 C ATOM 319 CD GLU A 18 6.407 -17.821 -10.104 1.00 34.23 C ATOM 320 OE1 GLU A 18 6.600 -19.015 -9.831 1.00 42.32 O ATOM 321 OE2 GLU A 18 5.660 -17.392 -11.063 1.00 63.31 O ATOM 0 H GLU A 18 5.551 -15.794 -5.714 1.00 25.41 H new ATOM 0 HA GLU A 18 8.106 -16.276 -6.700 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.207 -17.536 -7.473 1.00 74.55 H new ATOM 0 HB3 GLU A 18 5.407 -16.095 -8.070 1.00 74.55 H new ATOM 0 HG2 GLU A 18 7.062 -15.786 -9.818 1.00 43.23 H new ATOM 0 HG3 GLU A 18 8.130 -16.983 -9.113 1.00 43.23 H new ATOM 329 N ASP A 19 6.711 -13.570 -7.982 1.00 32.14 N ATOM 330 CA ASP A 19 7.001 -12.308 -8.641 1.00 24.24 C ATOM 331 C ASP A 19 8.111 -11.582 -7.876 1.00 51.31 C ATOM 332 O ASP A 19 9.125 -11.202 -8.459 1.00 42.23 O ATOM 333 CB ASP A 19 5.769 -11.401 -8.660 1.00 51.12 C ATOM 334 CG ASP A 19 5.688 -10.445 -9.851 1.00 40.34 C ATOM 335 OD1 ASP A 19 6.336 -10.659 -10.888 1.00 21.13 O ATOM 336 OD2 ASP A 19 4.910 -9.429 -9.684 1.00 21.13 O ATOM 0 H ASP A 19 5.722 -13.737 -7.797 1.00 32.14 H new ATOM 0 HA ASP A 19 7.306 -12.524 -9.665 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.876 -12.026 -8.654 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.754 -10.815 -7.741 1.00 51.12 H new ATOM 342 N VAL A 20 7.879 -11.411 -6.583 1.00 71.23 N ATOM 343 CA VAL A 20 8.847 -10.738 -5.733 1.00 54.42 C ATOM 344 C VAL A 20 10.259 -11.173 -6.131 1.00 35.23 C ATOM 345 O VAL A 20 11.204 -10.392 -6.030 1.00 13.24 O ATOM 346 CB VAL A 20 8.529 -11.010 -4.261 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.755 -10.759 -3.380 1.00 23.14 C ATOM 348 CG2 VAL A 20 7.337 -10.173 -3.793 1.00 35.51 C ATOM 0 H VAL A 20 7.036 -11.726 -6.103 1.00 71.23 H new ATOM 0 HA VAL A 20 8.790 -9.658 -5.870 1.00 54.42 H new ATOM 0 HB VAL A 20 8.257 -12.061 -4.166 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.502 -10.960 -2.339 1.00 23.14 H new ATOM 0 HG12 VAL A 20 10.567 -11.418 -3.690 1.00 23.14 H new ATOM 0 HG13 VAL A 20 10.071 -9.721 -3.483 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.133 -10.386 -2.744 1.00 35.51 H new ATOM 0 HG22 VAL A 20 7.567 -9.114 -3.910 1.00 35.51 H new ATOM 0 HG23 VAL A 20 6.460 -10.422 -4.391 1.00 35.51 H new ATOM 358 N ARG A 21 10.357 -12.418 -6.572 1.00 73.35 N ATOM 359 CA ARG A 21 11.638 -12.966 -6.985 1.00 12.33 C ATOM 360 C ARG A 21 12.250 -12.108 -8.094 1.00 3.32 C ATOM 361 O ARG A 21 13.395 -11.671 -7.985 1.00 20.04 O ATOM 362 CB ARG A 21 11.485 -14.404 -7.488 1.00 32.23 C ATOM 363 CG ARG A 21 12.816 -15.155 -7.412 1.00 24.21 C ATOM 364 CD ARG A 21 12.868 -16.284 -8.444 1.00 65.53 C ATOM 365 NE ARG A 21 13.885 -17.284 -8.049 1.00 31.50 N ATOM 366 CZ ARG A 21 13.751 -18.127 -7.003 1.00 64.23 C ATOM 367 NH1 ARG A 21 12.639 -18.097 -6.237 1.00 64.10 N ATOM 368 NH2 ARG A 21 14.723 -18.981 -6.740 1.00 2.31 N ATOM 0 H ARG A 21 9.571 -13.063 -6.652 1.00 73.35 H new ATOM 0 HA ARG A 21 12.295 -12.965 -6.115 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.735 -14.924 -6.892 1.00 32.23 H new ATOM 0 HB3 ARG A 21 11.125 -14.397 -8.517 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.639 -14.462 -7.584 1.00 24.21 H new ATOM 0 HG3 ARG A 21 12.949 -15.566 -6.411 1.00 24.21 H new ATOM 0 HD2 ARG A 21 11.891 -16.760 -8.525 1.00 65.53 H new ATOM 0 HD3 ARG A 21 13.107 -15.879 -9.427 1.00 65.53 H new ATOM 0 HE ARG A 21 14.741 -17.340 -8.602 1.00 31.50 H new ATOM 0 HH11 ARG A 21 11.893 -17.434 -6.447 1.00 64.10 H new ATOM 0 HH12 ARG A 21 12.545 -18.737 -5.449 1.00 64.10 H new ATOM 0 HH21 ARG A 21 15.560 -18.997 -7.323 1.00 2.31 H new ATOM 0 HH22 ARG A 21 14.637 -19.625 -5.953 1.00 2.31 H new ATOM 381 N LEU A 22 11.461 -11.892 -9.136 1.00 21.23 N ATOM 382 CA LEU A 22 11.911 -11.093 -10.264 1.00 44.20 C ATOM 383 C LEU A 22 12.332 -9.709 -9.767 1.00 44.01 C ATOM 384 O LEU A 22 13.427 -9.242 -10.075 1.00 64.33 O ATOM 385 CB LEU A 22 10.840 -11.056 -11.356 1.00 45.15 C ATOM 386 CG LEU A 22 10.539 -12.388 -12.046 1.00 0.33 C ATOM 387 CD1 LEU A 22 10.164 -12.172 -13.513 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.706 -13.363 -11.889 1.00 33.03 C ATOM 0 H LEU A 22 10.512 -12.256 -9.223 1.00 21.23 H new ATOM 0 HA LEU A 22 12.788 -11.546 -10.726 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.916 -10.679 -10.918 1.00 45.15 H new ATOM 0 HB3 LEU A 22 11.149 -10.338 -12.116 1.00 45.15 H new ATOM 0 HG LEU A 22 9.676 -12.840 -11.557 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.955 -13.134 -13.981 1.00 14.41 H new ATOM 0 HD12 LEU A 22 9.278 -11.539 -13.573 1.00 14.41 H new ATOM 0 HD13 LEU A 22 10.991 -11.688 -14.033 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.466 -14.302 -12.389 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.602 -12.933 -12.336 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.883 -13.551 -10.830 1.00 33.03 H new ATOM 400 N ILE A 23 11.440 -9.092 -9.007 1.00 72.43 N ATOM 401 CA ILE A 23 11.705 -7.770 -8.464 1.00 73.03 C ATOM 402 C ILE A 23 12.918 -7.839 -7.534 1.00 50.41 C ATOM 403 O ILE A 23 13.632 -6.852 -7.365 1.00 52.54 O ATOM 404 CB ILE A 23 10.451 -7.203 -7.798 1.00 1.30 C ATOM 405 CG1 ILE A 23 10.144 -5.795 -8.314 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.575 -7.241 -6.273 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.746 -5.827 -9.790 1.00 24.34 C ATOM 0 H ILE A 23 10.532 -9.483 -8.754 1.00 72.43 H new ATOM 0 HA ILE A 23 11.955 -7.073 -9.264 1.00 73.03 H new ATOM 0 HB ILE A 23 9.605 -7.836 -8.068 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.338 -5.356 -7.726 1.00 62.53 H new ATOM 0 HG13 ILE A 23 11.018 -5.157 -8.183 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.670 -6.832 -5.824 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.709 -8.272 -5.944 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.434 -6.646 -5.963 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.533 -4.814 -10.132 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.563 -6.244 -10.378 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.857 -6.446 -9.914 1.00 24.34 H new ATOM 419 N ARG A 24 13.114 -9.015 -6.956 1.00 12.34 N ATOM 420 CA ARG A 24 14.228 -9.226 -6.047 1.00 45.23 C ATOM 421 C ARG A 24 15.546 -9.265 -6.824 1.00 1.14 C ATOM 422 O ARG A 24 16.581 -8.830 -6.318 1.00 74.04 O ATOM 423 CB ARG A 24 14.064 -10.534 -5.269 1.00 34.14 C ATOM 424 CG ARG A 24 13.478 -10.275 -3.880 1.00 13.13 C ATOM 425 CD ARG A 24 14.291 -9.219 -3.130 1.00 0.34 C ATOM 426 NE ARG A 24 15.730 -9.370 -3.444 1.00 52.12 N ATOM 427 CZ ARG A 24 16.625 -8.362 -3.394 1.00 54.35 C ATOM 428 NH1 ARG A 24 16.238 -7.117 -3.040 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.886 -8.609 -3.696 1.00 1.01 N ATOM 0 H ARG A 24 12.520 -9.832 -7.100 1.00 12.34 H new ATOM 0 HA ARG A 24 14.242 -8.396 -5.341 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.413 -11.211 -5.822 1.00 34.14 H new ATOM 0 HB3 ARG A 24 15.031 -11.028 -5.174 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.444 -9.944 -3.974 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.465 -11.203 -3.308 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.952 -8.221 -3.409 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.132 -9.321 -2.056 1.00 0.34 H new ATOM 0 HE ARG A 24 16.066 -10.294 -3.715 1.00 52.12 H new ATOM 0 HH11 ARG A 24 15.262 -6.933 -2.808 1.00 71.43 H new ATOM 0 HH12 ARG A 24 16.922 -6.361 -3.005 1.00 71.43 H new ATOM 0 HH21 ARG A 24 18.171 -9.551 -3.962 1.00 1.01 H new ATOM 0 HH22 ARG A 24 18.575 -7.858 -3.663 1.00 1.01 H new ATOM 442 N GLU A 25 15.466 -9.787 -8.038 1.00 75.54 N ATOM 443 CA GLU A 25 16.640 -9.888 -8.889 1.00 71.24 C ATOM 444 C GLU A 25 16.646 -8.758 -9.920 1.00 4.54 C ATOM 445 O GLU A 25 17.600 -8.614 -10.682 1.00 51.11 O ATOM 446 CB GLU A 25 16.706 -11.255 -9.572 1.00 21.24 C ATOM 447 CG GLU A 25 15.547 -11.434 -10.554 1.00 65.42 C ATOM 448 CD GLU A 25 15.919 -12.414 -11.669 1.00 43.43 C ATOM 449 OE1 GLU A 25 15.143 -13.331 -11.972 1.00 42.04 O ATOM 450 OE2 GLU A 25 17.061 -12.195 -12.229 1.00 50.21 O ATOM 0 H GLU A 25 14.606 -10.145 -8.454 1.00 75.54 H new ATOM 0 HA GLU A 25 17.528 -9.788 -8.265 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.654 -11.356 -10.101 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.675 -12.043 -8.820 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.668 -11.799 -10.022 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.280 -10.470 -10.987 1.00 65.42 H new ATOM 458 N GLN A 26 15.569 -7.986 -9.911 1.00 42.22 N ATOM 459 CA GLN A 26 15.439 -6.873 -10.836 1.00 1.04 C ATOM 460 C GLN A 26 15.628 -5.546 -10.100 1.00 74.23 C ATOM 461 O GLN A 26 16.526 -4.772 -10.429 1.00 72.32 O ATOM 462 CB GLN A 26 14.089 -6.914 -11.556 1.00 4.32 C ATOM 463 CG GLN A 26 14.093 -7.962 -12.671 1.00 11.50 C ATOM 464 CD GLN A 26 13.124 -7.576 -13.790 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.977 -6.419 -14.147 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.473 -8.607 -14.321 1.00 14.23 N ATOM 0 H GLN A 26 14.779 -8.109 -9.278 1.00 42.22 H new ATOM 0 HA GLN A 26 16.220 -6.961 -11.592 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.298 -7.142 -10.841 1.00 4.32 H new ATOM 0 HB3 GLN A 26 13.867 -5.933 -11.975 1.00 4.32 H new ATOM 0 HG2 GLN A 26 15.100 -8.063 -13.076 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.814 -8.933 -12.263 1.00 11.50 H new ATOM 0 HE21 GLN A 26 12.644 -9.551 -13.975 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.803 -8.454 -15.075 1.00 14.23 H new ATOM 475 N HIS A 27 14.766 -5.321 -9.119 1.00 51.23 N ATOM 476 CA HIS A 27 14.827 -4.101 -8.333 1.00 52.43 C ATOM 477 C HIS A 27 15.129 -4.444 -6.873 1.00 72.33 C ATOM 478 O HIS A 27 14.222 -4.494 -6.043 1.00 1.33 O ATOM 479 CB HIS A 27 13.543 -3.285 -8.497 1.00 21.24 C ATOM 480 CG HIS A 27 13.101 -3.118 -9.931 1.00 74.33 C ATOM 481 ND1 HIS A 27 12.655 -4.034 -10.840 1.00 31.43 N flip ATOM 482 CD2 HIS A 27 13.090 -1.893 -10.575 1.00 21.41 C flip ATOM 483 CE1 HIS A 27 12.385 -3.401 -11.974 1.00 74.54 C flip ATOM 484 NE2 HIS A 27 12.655 -2.074 -11.814 1.00 22.24 N flip ATOM 0 H HIS A 27 14.021 -5.964 -8.851 1.00 51.23 H new ATOM 0 HA HIS A 27 15.639 -3.471 -8.696 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.744 -3.768 -7.935 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.692 -2.299 -8.056 1.00 21.24 H new ATOM 0 HD2 HIS A 27 13.386 -0.949 -10.141 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.012 -3.862 -12.877 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.542 -1.349 -12.522 1.00 22.24 H new ATOM 492 N PRO A 28 16.440 -4.679 -6.598 1.00 55.03 N ATOM 493 CA PRO A 28 16.872 -5.016 -5.252 1.00 41.14 C ATOM 494 C PRO A 28 16.868 -3.782 -4.348 1.00 41.12 C ATOM 495 O PRO A 28 16.606 -3.885 -3.151 1.00 74.04 O ATOM 496 CB PRO A 28 18.256 -5.621 -5.424 1.00 22.43 C ATOM 497 CG PRO A 28 18.738 -5.176 -6.796 1.00 40.31 C ATOM 498 CD PRO A 28 17.541 -4.629 -7.556 1.00 2.23 C ATOM 0 HA PRO A 28 16.201 -5.720 -4.759 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.933 -5.277 -4.642 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.218 -6.708 -5.357 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.510 -4.413 -6.700 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.182 -6.013 -7.335 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.722 -3.610 -7.899 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.325 -5.229 -8.440 1.00 2.23 H new ATOM 506 N THR A 29 17.160 -2.642 -4.957 1.00 63.23 N ATOM 507 CA THR A 29 17.192 -1.388 -4.223 1.00 35.40 C ATOM 508 C THR A 29 15.811 -0.728 -4.232 1.00 2.51 C ATOM 509 O THR A 29 15.705 0.496 -4.200 1.00 3.01 O ATOM 510 CB THR A 29 18.289 -0.512 -4.831 1.00 72.21 C ATOM 511 OG1 THR A 29 17.706 -0.007 -6.029 1.00 20.14 O ATOM 512 CG2 THR A 29 19.489 -1.328 -5.316 1.00 4.31 C ATOM 0 H THR A 29 17.377 -2.560 -5.950 1.00 63.23 H new ATOM 0 HA THR A 29 17.432 -1.551 -3.172 1.00 35.40 H new ATOM 0 HB THR A 29 18.621 0.218 -4.093 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.350 0.573 -6.487 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.238 -0.658 -5.738 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.922 -1.873 -4.477 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.164 -2.035 -6.079 1.00 4.31 H new ATOM 520 N LYS A 30 14.790 -1.570 -4.278 1.00 73.12 N ATOM 521 CA LYS A 30 13.420 -1.084 -4.292 1.00 13.34 C ATOM 522 C LYS A 30 12.564 -1.956 -3.371 1.00 74.25 C ATOM 523 O LYS A 30 12.785 -3.161 -3.270 1.00 52.32 O ATOM 524 CB LYS A 30 12.895 -1.005 -5.728 1.00 53.11 C ATOM 525 CG LYS A 30 13.655 0.052 -6.532 1.00 74.24 C ATOM 526 CD LYS A 30 13.235 1.463 -6.115 1.00 31.34 C ATOM 527 CE LYS A 30 13.229 2.410 -7.317 1.00 62.14 C ATOM 528 NZ LYS A 30 13.374 3.814 -6.871 1.00 64.44 N ATOM 0 H LYS A 30 14.883 -2.585 -4.306 1.00 73.12 H new ATOM 0 HA LYS A 30 13.372 -0.067 -3.903 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.997 -1.977 -6.210 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.832 -0.764 -5.718 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.727 -0.072 -6.381 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.465 -0.089 -7.596 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.242 1.433 -5.666 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.918 1.840 -5.354 1.00 31.34 H new ATOM 0 HE2 LYS A 30 14.042 2.152 -7.995 1.00 62.14 H new ATOM 0 HE3 LYS A 30 12.300 2.293 -7.875 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 13.622 4.413 -7.684 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 12.477 4.142 -6.460 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 14.126 3.875 -6.155 1.00 64.44 H new ATOM 541 N ILE A 31 11.605 -1.311 -2.722 1.00 11.23 N ATOM 542 CA ILE A 31 10.715 -2.013 -1.813 1.00 34.53 C ATOM 543 C ILE A 31 9.421 -2.370 -2.546 1.00 61.33 C ATOM 544 O ILE A 31 8.663 -1.485 -2.942 1.00 14.43 O ATOM 545 CB ILE A 31 10.494 -1.192 -0.540 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.828 -0.832 0.117 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.557 -1.920 0.425 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.464 -2.058 0.777 1.00 43.44 C ATOM 0 H ILE A 31 11.425 -0.311 -2.808 1.00 11.23 H new ATOM 0 HA ILE A 31 11.166 -2.950 -1.487 1.00 34.53 H new ATOM 0 HB ILE A 31 10.008 -0.256 -0.816 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.507 -0.424 -0.631 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.671 -0.053 0.863 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.416 -1.316 1.321 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.593 -2.083 -0.057 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.993 -2.881 0.700 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.411 -1.774 1.236 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.793 -2.449 1.542 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.642 -2.825 0.024 1.00 43.44 H new ATOM 560 N PRO A 32 9.202 -3.701 -2.712 1.00 41.13 N ATOM 561 CA PRO A 32 8.013 -4.186 -3.391 1.00 31.23 C ATOM 562 C PRO A 32 6.779 -4.059 -2.495 1.00 60.01 C ATOM 563 O PRO A 32 6.810 -4.454 -1.330 1.00 33.01 O ATOM 564 CB PRO A 32 8.331 -5.625 -3.763 1.00 4.31 C ATOM 565 CG PRO A 32 9.494 -6.037 -2.876 1.00 32.45 C ATOM 566 CD PRO A 32 10.078 -4.778 -2.257 1.00 10.22 C ATOM 0 HA PRO A 32 7.770 -3.603 -4.280 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.468 -6.270 -3.600 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.596 -5.707 -4.817 1.00 4.31 H new ATOM 0 HG2 PRO A 32 9.157 -6.723 -2.099 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.251 -6.562 -3.459 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.094 -4.842 -1.169 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.106 -4.617 -2.582 1.00 10.22 H new ATOM 574 N VAL A 33 5.722 -3.507 -3.072 1.00 12.13 N ATOM 575 CA VAL A 33 4.480 -3.323 -2.341 1.00 24.23 C ATOM 576 C VAL A 33 3.302 -3.699 -3.241 1.00 4.32 C ATOM 577 O VAL A 33 3.439 -3.743 -4.463 1.00 1.31 O ATOM 578 CB VAL A 33 4.393 -1.890 -1.810 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.747 -1.420 -1.274 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.868 -0.938 -2.886 1.00 4.04 C ATOM 0 H VAL A 33 5.700 -3.181 -4.038 1.00 12.13 H new ATOM 0 HA VAL A 33 4.448 -3.981 -1.472 1.00 24.23 H new ATOM 0 HB VAL A 33 3.685 -1.882 -0.981 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.657 -0.399 -0.903 1.00 5.21 H new ATOM 0 HG12 VAL A 33 6.064 -2.074 -0.462 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.486 -1.451 -2.075 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.816 0.073 -2.483 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.540 -0.952 -3.744 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.873 -1.256 -3.199 1.00 4.04 H new ATOM 590 N ILE A 34 2.172 -3.961 -2.603 1.00 53.34 N ATOM 591 CA ILE A 34 0.970 -4.332 -3.332 1.00 0.30 C ATOM 592 C ILE A 34 -0.222 -3.554 -2.770 1.00 63.12 C ATOM 593 O ILE A 34 -0.824 -3.964 -1.779 1.00 30.23 O ATOM 594 CB ILE A 34 0.778 -5.851 -3.310 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.777 -6.542 -4.240 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.668 -6.225 -3.641 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.182 -6.734 -5.637 1.00 42.24 C ATOM 0 H ILE A 34 2.062 -3.924 -1.590 1.00 53.34 H new ATOM 0 HA ILE A 34 1.062 -4.060 -4.383 1.00 0.30 H new ATOM 0 HB ILE A 34 0.979 -6.207 -2.300 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.688 -5.948 -4.307 1.00 35.11 H new ATOM 0 HG13 ILE A 34 2.058 -7.510 -3.824 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -0.778 -7.309 -3.619 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.337 -5.777 -2.906 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -0.921 -5.855 -4.635 1.00 40.24 H new ATOM 0 HD11 ILE A 34 1.912 -7.227 -6.279 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.285 -7.349 -5.569 1.00 42.24 H new ATOM 0 HD13 ILE A 34 0.925 -5.763 -6.060 1.00 42.24 H new ATOM 609 N ILE A 35 -0.528 -2.447 -3.429 1.00 13.32 N ATOM 610 CA ILE A 35 -1.637 -1.607 -3.009 1.00 43.02 C ATOM 611 C ILE A 35 -2.882 -1.971 -3.821 1.00 62.52 C ATOM 612 O ILE A 35 -2.831 -2.027 -5.049 1.00 31.22 O ATOM 613 CB ILE A 35 -1.254 -0.128 -3.098 1.00 14.43 C ATOM 614 CG1 ILE A 35 -0.053 0.183 -2.202 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.452 0.768 -2.781 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.648 1.466 -2.651 1.00 12.23 C ATOM 0 H ILE A 35 -0.027 -2.111 -4.252 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.876 -1.787 -1.961 1.00 43.02 H new ATOM 0 HB ILE A 35 -0.954 0.086 -4.124 1.00 14.43 H new ATOM 0 HG12 ILE A 35 -0.383 0.287 -1.168 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.651 -0.649 -2.229 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -2.153 1.814 -2.851 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.253 0.571 -3.494 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.806 0.559 -1.771 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.498 1.664 -1.998 1.00 12.23 H new ATOM 0 HD12 ILE A 35 0.998 1.349 -3.677 1.00 12.23 H new ATOM 0 HD13 ILE A 35 -0.052 2.300 -2.599 1.00 12.23 H new ATOM 628 N GLU A 36 -3.970 -2.208 -3.103 1.00 14.05 N ATOM 629 CA GLU A 36 -5.225 -2.564 -3.741 1.00 10.15 C ATOM 630 C GLU A 36 -6.367 -1.719 -3.175 1.00 32.02 C ATOM 631 O GLU A 36 -6.214 -1.075 -2.137 1.00 33.43 O ATOM 632 CB GLU A 36 -5.518 -4.057 -3.582 1.00 14.40 C ATOM 633 CG GLU A 36 -4.910 -4.860 -4.735 1.00 64.41 C ATOM 634 CD GLU A 36 -5.696 -4.640 -6.029 1.00 73.35 C ATOM 635 OE1 GLU A 36 -5.612 -3.557 -6.628 1.00 11.42 O ATOM 636 OE2 GLU A 36 -6.410 -5.644 -6.411 1.00 2.44 O ATOM 0 H GLU A 36 -4.008 -2.160 -2.085 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.138 -2.356 -4.807 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -5.114 -4.412 -2.634 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.595 -4.219 -3.550 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -3.871 -4.564 -4.881 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -4.907 -5.920 -4.483 1.00 64.41 H new ATOM 644 N ARG A 37 -7.488 -1.746 -3.880 1.00 33.23 N ATOM 645 CA ARG A 37 -8.656 -0.990 -3.461 1.00 73.24 C ATOM 646 C ARG A 37 -9.314 -1.658 -2.252 1.00 64.52 C ATOM 647 O ARG A 37 -9.472 -2.878 -2.222 1.00 12.04 O ATOM 648 CB ARG A 37 -9.678 -0.880 -4.594 1.00 51.13 C ATOM 649 CG ARG A 37 -10.251 -2.254 -4.951 1.00 1.41 C ATOM 650 CD ARG A 37 -11.026 -2.199 -6.268 1.00 24.11 C ATOM 651 NE ARG A 37 -11.422 -3.564 -6.679 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.068 -3.852 -7.830 1.00 70.24 C ATOM 653 NH1 ARG A 37 -12.396 -2.868 -8.695 1.00 72.20 N ATOM 654 NH2 ARG A 37 -12.374 -5.107 -8.097 1.00 44.03 N ATOM 0 H ARG A 37 -7.612 -2.280 -4.740 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.323 0.012 -3.191 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.486 -0.211 -4.296 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.207 -0.439 -5.472 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.442 -2.980 -5.031 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -10.909 -2.597 -4.152 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.911 -1.574 -6.153 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -10.411 -1.741 -7.043 1.00 24.11 H new ATOM 0 HE ARG A 37 -11.193 -4.337 -6.054 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -12.156 -1.900 -8.481 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -12.884 -3.093 -9.562 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -12.123 -5.844 -7.438 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -12.862 -5.340 -8.962 1.00 44.03 H new ATOM 667 N TYR A 38 -9.682 -0.830 -1.285 1.00 2.33 N ATOM 668 CA TYR A 38 -10.320 -1.326 -0.078 1.00 20.32 C ATOM 669 C TYR A 38 -11.596 -2.104 -0.411 1.00 54.11 C ATOM 670 O TYR A 38 -12.357 -1.706 -1.292 1.00 13.01 O ATOM 671 CB TYR A 38 -10.691 -0.089 0.741 1.00 12.43 C ATOM 672 CG TYR A 38 -11.792 -0.333 1.776 1.00 11.11 C ATOM 673 CD1 TYR A 38 -13.114 -0.367 1.381 1.00 42.23 C ATOM 674 CD2 TYR A 38 -11.462 -0.522 3.103 1.00 12.43 C ATOM 675 CE1 TYR A 38 -14.151 -0.597 2.354 1.00 42.11 C ATOM 676 CE2 TYR A 38 -12.499 -0.752 4.076 1.00 53.35 C ATOM 677 CZ TYR A 38 -13.791 -0.778 3.653 1.00 23.24 C ATOM 678 OH TYR A 38 -14.769 -0.996 4.573 1.00 23.44 O ATOM 0 H TYR A 38 -9.550 0.181 -1.313 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.652 -1.999 0.460 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.800 0.276 1.253 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -11.014 0.700 0.062 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.371 -0.221 0.342 1.00 42.23 H new ATOM 0 HD2 TYR A 38 -10.427 -0.497 3.411 1.00 12.43 H new ATOM 0 HE1 TYR A 38 -15.190 -0.625 2.059 1.00 42.11 H new ATOM 0 HE2 TYR A 38 -12.256 -0.900 5.118 1.00 53.35 H new ATOM 0 HH TYR A 38 -14.365 -1.109 5.459 1.00 23.44 H new ATOM 688 N LYS A 39 -11.790 -3.197 0.311 1.00 73.55 N ATOM 689 CA LYS A 39 -12.959 -4.034 0.103 1.00 43.43 C ATOM 690 C LYS A 39 -14.223 -3.204 0.342 1.00 21.11 C ATOM 691 O LYS A 39 -14.637 -3.013 1.484 1.00 3.42 O ATOM 692 CB LYS A 39 -12.878 -5.293 0.968 1.00 73.41 C ATOM 693 CG LYS A 39 -12.566 -4.939 2.424 1.00 61.13 C ATOM 694 CD LYS A 39 -12.937 -6.092 3.359 1.00 10.22 C ATOM 695 CE LYS A 39 -14.429 -6.066 3.696 1.00 52.01 C ATOM 696 NZ LYS A 39 -14.777 -7.193 4.591 1.00 32.44 N ATOM 0 H LYS A 39 -11.157 -3.523 1.041 1.00 73.55 H new ATOM 0 HA LYS A 39 -12.997 -4.386 -0.928 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -13.822 -5.835 0.916 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -12.107 -5.957 0.578 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.506 -4.709 2.527 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -13.116 -4.042 2.710 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -12.683 -7.042 2.889 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -12.352 -6.024 4.276 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -14.683 -5.121 4.176 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -15.016 -6.127 2.780 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -15.793 -7.161 4.810 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -14.553 -8.093 4.120 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -14.230 -7.118 5.472 1.00 32.44 H new ATOM 709 N GLY A 40 -14.800 -2.734 -0.754 1.00 74.45 N ATOM 710 CA GLY A 40 -16.007 -1.930 -0.678 1.00 3.24 C ATOM 711 C GLY A 40 -15.706 -0.458 -0.968 1.00 12.21 C ATOM 712 O GLY A 40 -16.481 0.423 -0.600 1.00 40.33 O ATOM 0 H GLY A 40 -14.454 -2.895 -1.700 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.741 -2.302 -1.392 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.450 -2.026 0.313 1.00 3.24 H new ATOM 716 N GLU A 41 -14.576 -0.237 -1.624 1.00 33.32 N ATOM 717 CA GLU A 41 -14.161 1.113 -1.967 1.00 32.55 C ATOM 718 C GLU A 41 -14.255 1.328 -3.479 1.00 20.11 C ATOM 719 O GLU A 41 -13.405 0.853 -4.231 1.00 31.05 O ATOM 720 CB GLU A 41 -12.747 1.398 -1.459 1.00 62.14 C ATOM 721 CG GLU A 41 -12.159 2.635 -2.140 1.00 52.41 C ATOM 722 CD GLU A 41 -11.321 2.244 -3.359 1.00 41.41 C ATOM 723 OE1 GLU A 41 -11.709 2.541 -4.499 1.00 62.12 O ATOM 724 OE2 GLU A 41 -10.230 1.609 -3.089 1.00 34.32 O ATOM 0 H GLU A 41 -13.935 -0.970 -1.927 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.835 1.815 -1.477 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.768 1.548 -0.380 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.108 0.536 -1.649 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -12.964 3.303 -2.447 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.541 3.186 -1.431 1.00 52.41 H new ATOM 732 N LYS A 42 -15.295 2.045 -3.879 1.00 64.40 N ATOM 733 CA LYS A 42 -15.509 2.329 -5.288 1.00 2.11 C ATOM 734 C LYS A 42 -15.279 3.820 -5.544 1.00 14.01 C ATOM 735 O LYS A 42 -14.998 4.224 -6.672 1.00 33.23 O ATOM 736 CB LYS A 42 -16.888 1.836 -5.730 1.00 13.31 C ATOM 737 CG LYS A 42 -17.999 2.678 -5.101 1.00 45.50 C ATOM 738 CD LYS A 42 -18.257 3.944 -5.920 1.00 43.25 C ATOM 739 CE LYS A 42 -19.758 4.185 -6.099 1.00 4.32 C ATOM 740 NZ LYS A 42 -20.198 3.740 -7.440 1.00 23.20 N ATOM 0 H LYS A 42 -15.998 2.437 -3.253 1.00 64.40 H new ATOM 0 HA LYS A 42 -14.789 1.785 -5.900 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -16.963 1.881 -6.816 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.013 0.791 -5.445 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -18.914 2.089 -5.036 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -17.722 2.950 -4.082 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -17.804 4.802 -5.423 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.781 3.853 -6.896 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -20.313 3.647 -5.331 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.980 5.244 -5.970 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -21.219 3.911 -7.545 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -19.681 4.272 -8.169 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -20.004 2.724 -7.550 1.00 23.20 H new ATOM 753 N GLN A 43 -15.406 4.598 -4.478 1.00 63.45 N ATOM 754 CA GLN A 43 -15.215 6.035 -4.574 1.00 43.21 C ATOM 755 C GLN A 43 -13.975 6.352 -5.412 1.00 65.15 C ATOM 756 O GLN A 43 -14.083 6.632 -6.605 1.00 23.23 O ATOM 757 CB GLN A 43 -15.114 6.668 -3.185 1.00 65.43 C ATOM 758 CG GLN A 43 -16.500 7.013 -2.637 1.00 61.32 C ATOM 759 CD GLN A 43 -17.125 8.171 -3.419 1.00 0.41 C ATOM 760 OE1 GLN A 43 -16.471 9.136 -3.780 1.00 34.35 O ATOM 761 NE2 GLN A 43 -18.425 8.021 -3.662 1.00 61.50 N ATOM 0 H GLN A 43 -15.639 4.260 -3.544 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.085 6.465 -5.071 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.611 5.981 -2.504 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.504 7.570 -3.236 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.147 6.138 -2.697 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.422 7.281 -1.583 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -18.913 7.188 -3.332 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -18.933 8.739 -4.179 1.00 61.50 H new ATOM 770 N LEU A 44 -12.826 6.296 -4.755 1.00 70.13 N ATOM 771 CA LEU A 44 -11.567 6.574 -5.425 1.00 74.32 C ATOM 772 C LEU A 44 -11.385 5.596 -6.587 1.00 11.20 C ATOM 773 O LEU A 44 -11.940 4.498 -6.570 1.00 43.35 O ATOM 774 CB LEU A 44 -10.411 6.558 -4.422 1.00 23.41 C ATOM 775 CG LEU A 44 -10.561 7.482 -3.211 1.00 52.12 C ATOM 776 CD1 LEU A 44 -10.614 6.678 -1.910 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.455 8.539 -3.187 1.00 10.25 C ATOM 0 H LEU A 44 -12.740 6.062 -3.766 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.576 7.577 -5.851 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.283 5.537 -4.062 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.495 6.827 -4.949 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.510 8.011 -3.301 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -10.721 7.359 -1.066 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -11.465 5.997 -1.937 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.694 6.104 -1.799 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.585 9.182 -2.317 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.483 8.048 -3.133 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.507 9.141 -4.094 1.00 10.25 H new ATOM 789 N PRO A 45 -10.587 6.040 -7.593 1.00 31.11 N ATOM 790 CA PRO A 45 -10.326 5.216 -8.761 1.00 72.02 C ATOM 791 C PRO A 45 -9.342 4.092 -8.430 1.00 4.31 C ATOM 792 O PRO A 45 -8.687 4.123 -7.390 1.00 31.03 O ATOM 793 CB PRO A 45 -9.797 6.179 -9.812 1.00 14.10 C ATOM 794 CG PRO A 45 -9.344 7.416 -9.053 1.00 24.31 C ATOM 795 CD PRO A 45 -9.914 7.335 -7.647 1.00 12.34 C ATOM 0 HA PRO A 45 -11.218 4.704 -9.123 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -8.970 5.736 -10.366 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.571 6.428 -10.538 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.256 7.467 -9.021 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.691 8.320 -9.554 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.127 7.404 -6.896 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.610 8.151 -7.454 1.00 12.34 H new ATOM 803 N VAL A 46 -9.269 3.127 -9.336 1.00 55.41 N ATOM 804 CA VAL A 46 -8.375 1.996 -9.153 1.00 62.40 C ATOM 805 C VAL A 46 -6.970 2.381 -9.619 1.00 24.11 C ATOM 806 O VAL A 46 -6.780 2.776 -10.768 1.00 23.43 O ATOM 807 CB VAL A 46 -8.931 0.769 -9.879 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.164 -0.495 -9.484 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.429 0.606 -9.613 1.00 2.32 C ATOM 0 H VAL A 46 -9.814 3.105 -10.198 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.305 1.730 -8.098 1.00 62.40 H new ATOM 0 HB VAL A 46 -8.796 0.923 -10.950 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -8.579 -1.353 -10.014 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.113 -0.380 -9.747 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.254 -0.654 -8.409 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -10.799 -0.273 -10.141 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -10.597 0.485 -8.543 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -10.960 1.490 -9.966 1.00 2.32 H new ATOM 819 N LEU A 47 -6.021 2.253 -8.703 1.00 70.21 N ATOM 820 CA LEU A 47 -4.639 2.583 -9.005 1.00 52.54 C ATOM 821 C LEU A 47 -4.294 2.078 -10.408 1.00 0.41 C ATOM 822 O LEU A 47 -4.804 1.046 -10.843 1.00 44.05 O ATOM 823 CB LEU A 47 -3.710 2.049 -7.913 1.00 21.34 C ATOM 824 CG LEU A 47 -2.585 2.989 -7.473 1.00 14.51 C ATOM 825 CD1 LEU A 47 -1.842 3.559 -8.683 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.118 4.090 -6.555 1.00 2.31 C ATOM 0 H LEU A 47 -6.183 1.925 -7.751 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.497 3.664 -9.011 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.313 1.802 -7.039 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.263 1.119 -8.266 1.00 21.34 H new ATOM 0 HG LEU A 47 -1.863 2.411 -6.896 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.048 4.224 -8.342 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.409 2.743 -9.262 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.539 4.117 -9.308 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -2.298 4.744 -6.257 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -3.872 4.672 -7.085 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -3.564 3.640 -5.668 1.00 2.31 H new ATOM 838 N ASP A 48 -3.430 2.827 -11.075 1.00 34.23 N ATOM 839 CA ASP A 48 -3.011 2.468 -12.420 1.00 65.12 C ATOM 840 C ASP A 48 -2.631 0.987 -12.453 1.00 61.25 C ATOM 841 O ASP A 48 -3.017 0.263 -13.370 1.00 1.55 O ATOM 842 CB ASP A 48 -1.787 3.279 -12.851 1.00 32.20 C ATOM 843 CG ASP A 48 -1.872 4.780 -12.563 1.00 54.14 C ATOM 844 OD1 ASP A 48 -2.866 5.268 -12.004 1.00 11.32 O ATOM 845 OD2 ASP A 48 -0.850 5.468 -12.945 1.00 33.14 O ATOM 0 H ASP A 48 -3.008 3.681 -10.710 1.00 34.23 H new ATOM 0 HA ASP A 48 -3.839 2.677 -13.097 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -0.908 2.877 -12.348 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.634 3.138 -13.921 1.00 32.20 H new ATOM 851 N LYS A 49 -1.880 0.579 -11.441 1.00 34.30 N ATOM 852 CA LYS A 49 -1.444 -0.803 -11.341 1.00 13.11 C ATOM 853 C LYS A 49 -1.525 -1.257 -9.882 1.00 55.44 C ATOM 854 O LYS A 49 -2.050 -0.536 -9.034 1.00 64.03 O ATOM 855 CB LYS A 49 -0.054 -0.972 -11.960 1.00 53.23 C ATOM 856 CG LYS A 49 -0.013 -0.399 -13.378 1.00 52.12 C ATOM 857 CD LYS A 49 0.451 1.059 -13.367 1.00 15.23 C ATOM 858 CE LYS A 49 1.831 1.200 -14.012 1.00 51.44 C ATOM 859 NZ LYS A 49 1.701 1.437 -15.467 1.00 4.25 N ATOM 0 H LYS A 49 -1.562 1.182 -10.682 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.106 -1.452 -11.914 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.688 -0.470 -11.339 1.00 53.23 H new ATOM 0 HB3 LYS A 49 0.212 -2.029 -11.983 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.660 -0.994 -13.995 1.00 52.12 H new ATOM 0 HG3 LYS A 49 -1.003 -0.466 -13.830 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.269 1.678 -13.902 1.00 15.23 H new ATOM 0 HD3 LYS A 49 0.486 1.426 -12.341 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.372 2.026 -13.550 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.416 0.297 -13.835 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 2.647 1.530 -15.889 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 1.203 0.636 -15.906 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 1.161 2.311 -15.630 1.00 4.25 H new ATOM 872 N THR A 50 -1.000 -2.448 -9.636 1.00 62.40 N ATOM 873 CA THR A 50 -1.007 -3.005 -8.293 1.00 12.42 C ATOM 874 C THR A 50 0.420 -3.126 -7.758 1.00 13.32 C ATOM 875 O THR A 50 0.643 -3.055 -6.551 1.00 13.53 O ATOM 876 CB THR A 50 -1.754 -4.339 -8.340 1.00 64.23 C ATOM 877 OG1 THR A 50 -2.858 -4.089 -9.207 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.406 -4.693 -7.002 1.00 4.14 C ATOM 0 H THR A 50 -0.567 -3.043 -10.343 1.00 62.40 H new ATOM 0 HA THR A 50 -1.527 -2.349 -7.595 1.00 12.42 H new ATOM 0 HB THR A 50 -1.063 -5.131 -8.628 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.396 -4.904 -9.295 1.00 33.22 H new ATOM 0 HG21 THR A 50 -2.923 -5.649 -7.091 1.00 4.14 H new ATOM 0 HG22 THR A 50 -1.639 -4.765 -6.231 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.122 -3.917 -6.730 1.00 4.14 H new ATOM 886 N LYS A 51 1.351 -3.308 -8.684 1.00 63.11 N ATOM 887 CA LYS A 51 2.752 -3.442 -8.321 1.00 2.24 C ATOM 888 C LYS A 51 3.431 -2.074 -8.418 1.00 2.53 C ATOM 889 O LYS A 51 3.364 -1.415 -9.454 1.00 22.21 O ATOM 890 CB LYS A 51 3.426 -4.523 -9.168 1.00 62.34 C ATOM 891 CG LYS A 51 2.688 -5.857 -9.039 1.00 12.21 C ATOM 892 CD LYS A 51 3.627 -7.032 -9.323 1.00 14.34 C ATOM 893 CE LYS A 51 3.704 -7.323 -10.823 1.00 70.11 C ATOM 894 NZ LYS A 51 3.471 -6.087 -11.603 1.00 74.50 N ATOM 0 H LYS A 51 1.162 -3.366 -9.685 1.00 63.11 H new ATOM 0 HA LYS A 51 2.847 -3.775 -7.288 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.445 -4.213 -10.213 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.462 -4.644 -8.853 1.00 62.34 H new ATOM 0 HG2 LYS A 51 2.274 -5.952 -8.035 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.849 -5.881 -9.734 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.623 -6.807 -8.941 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.276 -7.918 -8.795 1.00 14.34 H new ATOM 0 HE2 LYS A 51 4.682 -7.737 -11.070 1.00 70.11 H new ATOM 0 HE3 LYS A 51 2.962 -8.075 -11.092 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 3.610 -6.284 -12.615 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 2.498 -5.755 -11.445 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 4.141 -5.352 -11.298 1.00 74.50 H new ATOM 907 N PHE A 52 4.069 -1.686 -7.322 1.00 55.52 N ATOM 908 CA PHE A 52 4.759 -0.409 -7.271 1.00 12.53 C ATOM 909 C PHE A 52 6.134 -0.555 -6.614 1.00 23.41 C ATOM 910 O PHE A 52 6.245 -1.081 -5.509 1.00 20.35 O ATOM 911 CB PHE A 52 3.899 0.530 -6.422 1.00 64.54 C ATOM 912 CG PHE A 52 2.490 0.751 -6.973 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.476 -0.075 -6.601 1.00 55.41 C ATOM 914 CD2 PHE A 52 2.250 1.775 -7.836 1.00 50.44 C ATOM 915 CE1 PHE A 52 0.167 0.130 -7.113 1.00 50.35 C ATOM 916 CE2 PHE A 52 0.941 1.981 -8.348 1.00 5.33 C ATOM 917 CZ PHE A 52 -0.072 1.154 -7.975 1.00 13.42 C ATOM 0 H PHE A 52 4.122 -2.234 -6.463 1.00 55.52 H new ATOM 0 HA PHE A 52 4.907 -0.025 -8.280 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.824 0.125 -5.413 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.402 1.494 -6.342 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.666 -0.888 -5.916 1.00 55.41 H new ATOM 0 HD2 PHE A 52 3.055 2.431 -8.132 1.00 50.44 H new ATOM 0 HE1 PHE A 52 -0.638 -0.527 -6.818 1.00 50.35 H new ATOM 0 HE2 PHE A 52 0.750 2.794 -9.033 1.00 5.33 H new ATOM 0 HZ PHE A 52 -1.067 1.311 -8.364 1.00 13.42 H new ATOM 927 N LEU A 53 7.147 -0.079 -7.324 1.00 0.05 N ATOM 928 CA LEU A 53 8.509 -0.150 -6.825 1.00 15.10 C ATOM 929 C LEU A 53 8.843 1.144 -6.080 1.00 53.33 C ATOM 930 O LEU A 53 9.088 2.177 -6.701 1.00 23.21 O ATOM 931 CB LEU A 53 9.480 -0.473 -7.962 1.00 22.22 C ATOM 932 CG LEU A 53 9.199 -1.760 -8.740 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.426 -2.194 -9.544 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.704 -2.867 -7.807 1.00 70.04 C ATOM 0 H LEU A 53 7.051 0.357 -8.241 1.00 0.05 H new ATOM 0 HA LEU A 53 8.610 -0.966 -6.109 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.476 0.361 -8.664 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.486 -0.535 -7.547 1.00 22.22 H new ATOM 0 HG LEU A 53 8.401 -1.560 -9.455 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.199 -3.111 -10.087 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.693 -1.409 -10.252 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.261 -2.371 -8.866 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.512 -3.771 -8.385 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.463 -3.073 -7.052 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.784 -2.546 -7.318 1.00 70.04 H new ATOM 946 N VAL A 54 8.840 1.046 -4.759 1.00 12.25 N ATOM 947 CA VAL A 54 9.140 2.196 -3.922 1.00 54.11 C ATOM 948 C VAL A 54 10.653 2.296 -3.723 1.00 53.14 C ATOM 949 O VAL A 54 11.332 1.282 -3.574 1.00 2.34 O ATOM 950 CB VAL A 54 8.369 2.100 -2.604 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.245 3.472 -1.941 1.00 52.41 C ATOM 952 CG2 VAL A 54 6.992 1.468 -2.820 1.00 33.12 C ATOM 0 H VAL A 54 8.635 0.188 -4.247 1.00 12.25 H new ATOM 0 HA VAL A 54 8.814 3.116 -4.407 1.00 54.11 H new ATOM 0 HB VAL A 54 8.933 1.453 -1.932 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.693 3.376 -1.006 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.240 3.868 -1.736 1.00 52.41 H new ATOM 0 HG13 VAL A 54 7.714 4.152 -2.608 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.464 1.411 -1.868 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.417 2.077 -3.518 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.112 0.465 -3.229 1.00 33.12 H new ATOM 962 N PRO A 55 11.152 3.562 -3.727 1.00 45.33 N ATOM 963 CA PRO A 55 12.573 3.808 -3.549 1.00 0.21 C ATOM 964 C PRO A 55 12.983 3.614 -2.088 1.00 50.22 C ATOM 965 O PRO A 55 12.309 4.098 -1.181 1.00 54.10 O ATOM 966 CB PRO A 55 12.791 5.227 -4.045 1.00 72.21 C ATOM 967 CG PRO A 55 11.420 5.884 -4.047 1.00 64.33 C ATOM 968 CD PRO A 55 10.378 4.787 -3.902 1.00 22.13 C ATOM 0 HA PRO A 55 13.195 3.107 -4.105 1.00 0.21 H new ATOM 0 HB2 PRO A 55 13.481 5.766 -3.396 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.226 5.229 -5.044 1.00 72.21 H new ATOM 0 HG2 PRO A 55 11.338 6.599 -3.228 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.264 6.439 -4.972 1.00 64.33 H new ATOM 0 HD2 PRO A 55 9.727 4.970 -3.047 1.00 22.13 H new ATOM 0 HD3 PRO A 55 9.739 4.729 -4.783 1.00 22.13 H new ATOM 976 N ASP A 56 14.088 2.905 -1.906 1.00 15.23 N ATOM 977 CA ASP A 56 14.596 2.641 -0.571 1.00 24.22 C ATOM 978 C ASP A 56 15.498 3.799 -0.135 1.00 33.22 C ATOM 979 O ASP A 56 16.590 3.578 0.383 1.00 24.04 O ATOM 980 CB ASP A 56 15.428 1.357 -0.542 1.00 14.44 C ATOM 981 CG ASP A 56 16.836 1.487 -1.126 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.814 0.980 -0.555 1.00 73.21 O ATOM 983 OD2 ASP A 56 16.910 2.148 -2.231 1.00 53.21 O ATOM 0 H ASP A 56 14.645 2.506 -2.661 1.00 15.23 H new ATOM 0 HA ASP A 56 13.743 2.533 0.099 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.509 1.017 0.491 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.893 0.582 -1.091 1.00 14.44 H new ATOM 989 N HIS A 57 15.005 5.008 -0.364 1.00 42.54 N ATOM 990 CA HIS A 57 15.753 6.200 -0.002 1.00 33.12 C ATOM 991 C HIS A 57 14.786 7.284 0.481 1.00 34.15 C ATOM 992 O HIS A 57 15.151 8.456 0.558 1.00 74.42 O ATOM 993 CB HIS A 57 16.632 6.664 -1.164 1.00 42.14 C ATOM 994 CG HIS A 57 15.945 7.619 -2.110 1.00 61.13 C ATOM 995 ND1 HIS A 57 14.581 7.593 -2.344 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.447 8.628 -2.879 1.00 44.01 C ATOM 997 CE1 HIS A 57 14.287 8.547 -3.215 1.00 52.24 C ATOM 998 NE2 HIS A 57 15.446 9.187 -3.546 1.00 2.34 N ATOM 0 H HIS A 57 14.098 5.187 -0.795 1.00 42.54 H new ATOM 0 HA HIS A 57 16.431 5.973 0.821 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.524 7.145 -0.762 1.00 42.14 H new ATOM 0 HB3 HIS A 57 16.966 5.791 -1.725 1.00 42.14 H new ATOM 0 HD2 HIS A 57 17.485 8.922 -2.935 1.00 44.01 H new ATOM 0 HE1 HIS A 57 13.303 8.778 -3.596 1.00 52.24 H new ATOM 0 HE2 HIS A 57 15.529 9.967 -4.199 1.00 2.34 H new ATOM 1006 N VAL A 58 13.573 6.853 0.793 1.00 51.30 N ATOM 1007 CA VAL A 58 12.551 7.773 1.266 1.00 21.42 C ATOM 1008 C VAL A 58 11.812 7.143 2.448 1.00 52.34 C ATOM 1009 O VAL A 58 12.301 6.192 3.055 1.00 3.12 O ATOM 1010 CB VAL A 58 11.620 8.157 0.114 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.411 8.741 -1.059 1.00 63.40 C ATOM 1012 CG2 VAL A 58 10.778 6.961 -0.333 1.00 52.14 C ATOM 0 H VAL A 58 13.274 5.880 0.728 1.00 51.30 H new ATOM 0 HA VAL A 58 13.004 8.698 1.622 1.00 21.42 H new ATOM 0 HB VAL A 58 10.940 8.928 0.476 1.00 42.54 H new ATOM 0 HG11 VAL A 58 11.726 9.006 -1.864 1.00 63.40 H new ATOM 0 HG12 VAL A 58 12.945 9.632 -0.730 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.126 8.002 -1.420 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.125 7.262 -1.153 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.435 6.158 -0.668 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.173 6.610 0.503 1.00 52.14 H new ATOM 1022 N ASN A 59 10.644 7.699 2.738 1.00 3.10 N ATOM 1023 CA ASN A 59 9.832 7.203 3.836 1.00 53.34 C ATOM 1024 C ASN A 59 8.543 6.598 3.279 1.00 32.55 C ATOM 1025 O ASN A 59 8.287 6.672 2.078 1.00 53.32 O ATOM 1026 CB ASN A 59 9.449 8.335 4.792 1.00 31.55 C ATOM 1027 CG ASN A 59 10.421 9.509 4.670 1.00 54.00 C ATOM 1028 OD1 ASN A 59 11.626 9.367 4.799 1.00 22.23 O ATOM 1029 ND2 ASN A 59 9.832 10.675 4.414 1.00 14.31 N ATOM 0 H ASN A 59 10.241 8.488 2.232 1.00 3.10 H new ATOM 0 HA ASN A 59 10.414 6.456 4.376 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.436 8.673 4.574 1.00 31.55 H new ATOM 0 HB3 ASN A 59 9.447 7.965 5.817 1.00 31.55 H new ATOM 0 HD21 ASN A 59 10.395 11.520 4.314 1.00 14.31 H new ATOM 0 HD22 ASN A 59 8.818 10.724 4.318 1.00 14.31 H new ATOM 1036 N MET A 60 7.766 6.010 4.177 1.00 53.42 N ATOM 1037 CA MET A 60 6.509 5.392 3.790 1.00 63.50 C ATOM 1038 C MET A 60 5.486 6.448 3.366 1.00 72.03 C ATOM 1039 O MET A 60 4.575 6.160 2.593 1.00 33.53 O ATOM 1040 CB MET A 60 5.954 4.585 4.964 1.00 54.13 C ATOM 1041 CG MET A 60 5.364 5.507 6.034 1.00 71.53 C ATOM 1042 SD MET A 60 3.696 5.964 5.593 1.00 50.24 S ATOM 1043 CE MET A 60 3.034 4.358 5.180 1.00 24.12 C ATOM 0 H MET A 60 7.983 5.948 5.172 1.00 53.42 H new ATOM 0 HA MET A 60 6.696 4.734 2.942 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.186 3.898 4.607 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.747 3.978 5.400 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.369 5.005 7.001 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.980 6.401 6.136 1.00 71.53 H new ATOM 0 HE1 MET A 60 1.950 4.371 5.296 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.286 4.115 4.148 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.461 3.607 5.844 1.00 24.12 H new ATOM 1053 N SER A 61 5.670 7.650 3.894 1.00 31.15 N ATOM 1054 CA SER A 61 4.774 8.750 3.581 1.00 60.52 C ATOM 1055 C SER A 61 4.928 9.147 2.112 1.00 5.42 C ATOM 1056 O SER A 61 3.937 9.398 1.426 1.00 42.35 O ATOM 1057 CB SER A 61 5.043 9.954 4.487 1.00 24.14 C ATOM 1058 OG SER A 61 5.015 11.182 3.765 1.00 33.42 O ATOM 0 H SER A 61 6.426 7.886 4.536 1.00 31.15 H new ATOM 0 HA SER A 61 3.750 8.419 3.756 1.00 60.52 H new ATOM 0 HB2 SER A 61 4.297 9.984 5.282 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.015 9.837 4.966 1.00 24.14 H new ATOM 0 HG SER A 61 5.189 11.926 4.378 1.00 33.42 H new ATOM 1064 N GLU A 62 6.175 9.192 1.670 1.00 43.34 N ATOM 1065 CA GLU A 62 6.470 9.554 0.295 1.00 62.30 C ATOM 1066 C GLU A 62 5.685 8.662 -0.670 1.00 2.22 C ATOM 1067 O GLU A 62 5.328 9.091 -1.766 1.00 1.22 O ATOM 1068 CB GLU A 62 7.973 9.472 0.016 1.00 23.32 C ATOM 1069 CG GLU A 62 8.701 10.698 0.570 1.00 33.21 C ATOM 1070 CD GLU A 62 8.165 11.985 -0.060 1.00 21.13 C ATOM 1071 OE1 GLU A 62 7.325 12.669 0.544 1.00 65.32 O ATOM 1072 OE2 GLU A 62 8.653 12.268 -1.220 1.00 22.24 O ATOM 0 H GLU A 62 6.994 8.983 2.241 1.00 43.34 H new ATOM 0 HA GLU A 62 6.160 10.587 0.138 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.381 8.568 0.467 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.144 9.398 -1.058 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.578 10.740 1.652 1.00 33.21 H new ATOM 0 HG3 GLU A 62 9.770 10.610 0.374 1.00 33.21 H new ATOM 1080 N LEU A 63 5.440 7.439 -0.225 1.00 75.35 N ATOM 1081 CA LEU A 63 4.703 6.483 -1.035 1.00 71.31 C ATOM 1082 C LEU A 63 3.263 6.972 -1.211 1.00 34.30 C ATOM 1083 O LEU A 63 2.625 6.685 -2.222 1.00 74.31 O ATOM 1084 CB LEU A 63 4.806 5.079 -0.435 1.00 53.52 C ATOM 1085 CG LEU A 63 3.753 4.072 -0.900 1.00 3.21 C ATOM 1086 CD1 LEU A 63 2.371 4.430 -0.352 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.751 3.946 -2.425 1.00 23.34 C ATOM 0 H LEU A 63 5.738 7.088 0.685 1.00 75.35 H new ATOM 0 HA LEU A 63 5.140 6.412 -2.031 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.792 4.677 -0.668 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.745 5.164 0.650 1.00 53.52 H new ATOM 0 HG LEU A 63 4.014 3.094 -0.496 1.00 3.21 H new ATOM 0 HD11 LEU A 63 1.642 3.698 -0.698 1.00 21.14 H new ATOM 0 HD12 LEU A 63 2.400 4.427 0.738 1.00 21.14 H new ATOM 0 HD13 LEU A 63 2.085 5.421 -0.704 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.993 3.224 -2.729 1.00 23.34 H new ATOM 0 HD22 LEU A 63 3.528 4.916 -2.870 1.00 23.34 H new ATOM 0 HD23 LEU A 63 4.731 3.609 -2.763 1.00 23.34 H new ATOM 1099 N ILE A 64 2.795 7.702 -0.209 1.00 23.04 N ATOM 1100 CA ILE A 64 1.442 8.234 -0.239 1.00 61.52 C ATOM 1101 C ILE A 64 1.391 9.430 -1.192 1.00 62.30 C ATOM 1102 O ILE A 64 0.442 9.576 -1.960 1.00 14.00 O ATOM 1103 CB ILE A 64 0.960 8.554 1.177 1.00 21.21 C ATOM 1104 CG1 ILE A 64 0.989 7.305 2.060 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.424 9.206 1.151 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.514 7.634 3.459 1.00 54.44 C ATOM 0 H ILE A 64 3.328 7.938 0.628 1.00 23.04 H new ATOM 0 HA ILE A 64 0.747 7.488 -0.625 1.00 61.52 H new ATOM 0 HB ILE A 64 1.647 9.276 1.617 1.00 21.21 H new ATOM 0 HG12 ILE A 64 -0.014 6.884 2.134 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.621 6.545 1.600 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.743 9.423 2.170 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.379 10.133 0.580 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -1.137 8.527 0.684 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.524 6.729 4.066 1.00 54.44 H new ATOM 0 HD12 ILE A 64 2.526 8.032 3.384 1.00 54.44 H new ATOM 0 HD13 ILE A 64 0.866 8.376 3.925 1.00 54.44 H new ATOM 1118 N LYS A 65 2.423 10.257 -1.108 1.00 65.21 N ATOM 1119 CA LYS A 65 2.507 11.437 -1.953 1.00 4.50 C ATOM 1120 C LYS A 65 2.559 11.006 -3.420 1.00 41.42 C ATOM 1121 O LYS A 65 2.202 11.776 -4.310 1.00 64.31 O ATOM 1122 CB LYS A 65 3.685 12.316 -1.528 1.00 50.41 C ATOM 1123 CG LYS A 65 3.849 12.317 -0.007 1.00 31.50 C ATOM 1124 CD LYS A 65 2.488 12.332 0.691 1.00 14.42 C ATOM 1125 CE LYS A 65 2.544 13.147 1.984 1.00 43.24 C ATOM 1126 NZ LYS A 65 1.478 12.715 2.917 1.00 21.21 N ATOM 0 H LYS A 65 3.208 10.134 -0.468 1.00 65.21 H new ATOM 0 HA LYS A 65 1.617 12.056 -1.834 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.601 11.954 -1.996 1.00 50.41 H new ATOM 0 HB3 LYS A 65 3.528 13.335 -1.881 1.00 50.41 H new ATOM 0 HG2 LYS A 65 4.411 11.436 0.302 1.00 31.50 H new ATOM 0 HG3 LYS A 65 4.428 13.188 0.299 1.00 31.50 H new ATOM 0 HD2 LYS A 65 1.737 12.754 0.023 1.00 14.42 H new ATOM 0 HD3 LYS A 65 2.178 11.311 0.914 1.00 14.42 H new ATOM 0 HE2 LYS A 65 3.519 13.025 2.455 1.00 43.24 H new ATOM 0 HE3 LYS A 65 2.430 14.207 1.758 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 1.531 13.279 3.789 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 0.549 12.854 2.471 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 1.605 11.709 3.147 1.00 21.21 H new ATOM 1139 N ILE A 66 3.005 9.775 -3.627 1.00 54.04 N ATOM 1140 CA ILE A 66 3.107 9.232 -4.971 1.00 32.11 C ATOM 1141 C ILE A 66 1.788 8.552 -5.343 1.00 63.23 C ATOM 1142 O ILE A 66 1.120 8.963 -6.290 1.00 3.21 O ATOM 1143 CB ILE A 66 4.327 8.315 -5.086 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.625 9.104 -4.903 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.307 7.541 -6.405 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.831 8.165 -4.829 1.00 42.45 C ATOM 0 H ILE A 66 3.300 9.139 -2.886 1.00 54.04 H new ATOM 0 HA ILE A 66 3.268 10.031 -5.695 1.00 32.11 H new ATOM 0 HB ILE A 66 4.281 7.581 -4.281 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.752 9.800 -5.732 1.00 34.42 H new ATOM 0 HG13 ILE A 66 5.567 9.700 -3.992 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.184 6.897 -6.462 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.405 6.931 -6.455 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.317 8.243 -7.239 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.741 8.751 -4.699 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.712 7.486 -3.984 1.00 42.45 H new ATOM 0 HD13 ILE A 66 6.900 7.588 -5.751 1.00 42.45 H new ATOM 1158 N ILE A 67 1.453 7.523 -4.578 1.00 34.24 N ATOM 1159 CA ILE A 67 0.227 6.782 -4.816 1.00 32.34 C ATOM 1160 C ILE A 67 -0.890 7.759 -5.188 1.00 73.40 C ATOM 1161 O ILE A 67 -1.597 7.553 -6.173 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.106 5.897 -3.613 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.819 4.680 -3.555 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.582 5.494 -3.621 1.00 30.32 C ATOM 1165 CD1 ILE A 67 0.713 3.848 -4.834 1.00 74.11 C ATOM 0 H ILE A 67 2.010 7.185 -3.793 1.00 34.24 H new ATOM 0 HA ILE A 67 0.350 6.102 -5.659 1.00 32.34 H new ATOM 0 HB ILE A 67 0.065 6.476 -2.705 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.849 5.008 -3.415 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.561 4.064 -2.694 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -1.792 4.865 -2.756 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.204 6.388 -3.579 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -1.803 4.941 -4.534 1.00 30.32 H new ATOM 0 HD11 ILE A 67 1.381 2.989 -4.766 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -0.313 3.501 -4.958 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.995 4.460 -5.691 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.015 8.802 -4.381 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.034 9.812 -4.613 1.00 13.42 C ATOM 1179 C ARG A 68 -1.815 10.484 -5.969 1.00 51.22 C ATOM 1180 O ARG A 68 -2.763 10.692 -6.724 1.00 0.23 O ATOM 1181 CB ARG A 68 -2.015 10.876 -3.514 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.820 11.817 -3.682 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.708 12.779 -2.498 1.00 24.23 C ATOM 1184 NE ARG A 68 -1.812 13.764 -2.540 1.00 63.13 N ATOM 1185 CZ ARG A 68 -3.020 13.572 -1.969 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -3.291 12.429 -1.306 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -3.933 14.521 -2.069 1.00 64.55 N ATOM 0 H ARG A 68 -0.427 8.970 -3.565 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.004 9.314 -4.603 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.941 11.450 -3.543 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.969 10.394 -2.537 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.097 11.234 -3.769 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.926 12.384 -4.607 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -0.742 12.222 -1.562 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.252 13.295 -2.527 1.00 24.23 H new ATOM 0 HE ARG A 68 -1.650 14.643 -3.031 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -2.580 11.701 -1.233 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -4.207 12.293 -0.878 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -3.720 15.383 -2.572 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -4.851 14.392 -1.643 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.557 10.807 -6.238 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.202 11.453 -7.490 1.00 45.24 C ATOM 1202 C ARG A 69 -0.635 10.587 -8.675 1.00 0.14 C ATOM 1203 O ARG A 69 -0.965 11.107 -9.740 1.00 4.20 O ATOM 1204 CB ARG A 69 1.305 11.701 -7.572 1.00 70.32 C ATOM 1205 CG ARG A 69 1.695 12.967 -6.807 1.00 44.21 C ATOM 1206 CD ARG A 69 1.347 14.222 -7.609 1.00 0.22 C ATOM 1207 NE ARG A 69 2.375 14.462 -8.645 1.00 10.40 N ATOM 1208 CZ ARG A 69 2.273 15.401 -9.610 1.00 73.23 C ATOM 1209 NH1 ARG A 69 1.186 16.198 -9.678 1.00 43.44 N ATOM 1210 NH2 ARG A 69 3.253 15.528 -10.485 1.00 11.44 N ATOM 0 H ARG A 69 0.228 10.633 -5.610 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.719 12.412 -7.528 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.841 10.845 -7.162 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.605 11.795 -8.616 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.179 12.990 -5.847 1.00 44.21 H new ATOM 0 HG3 ARG A 69 2.764 12.952 -6.594 1.00 44.21 H new ATOM 0 HD2 ARG A 69 0.369 14.106 -8.076 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.282 15.083 -6.943 1.00 0.22 H new ATOM 0 HE ARG A 69 3.214 13.882 -8.630 1.00 10.40 H new ATOM 0 HH11 ARG A 69 0.434 16.094 -8.997 1.00 43.44 H new ATOM 0 HH12 ARG A 69 1.117 16.905 -10.410 1.00 43.44 H new ATOM 0 HH21 ARG A 69 4.071 14.922 -10.426 1.00 11.44 H new ATOM 0 HH22 ARG A 69 3.192 16.232 -11.220 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.621 9.282 -8.450 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.008 8.340 -9.486 1.00 12.55 C ATOM 1225 C ARG A 70 -2.524 8.367 -9.689 1.00 23.22 C ATOM 1226 O ARG A 70 -3.003 8.306 -10.819 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.574 6.916 -9.126 1.00 25.13 C ATOM 1228 CG ARG A 70 0.864 6.651 -9.578 1.00 50.40 C ATOM 1229 CD ARG A 70 1.867 7.151 -8.538 1.00 24.25 C ATOM 1230 NE ARG A 70 2.334 8.509 -8.895 1.00 54.32 N ATOM 1231 CZ ARG A 70 3.389 8.759 -9.701 1.00 71.15 C ATOM 1232 NH1 ARG A 70 4.096 7.742 -10.239 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.719 10.011 -9.954 1.00 40.12 N ATOM 0 H ARG A 70 -0.348 8.854 -7.565 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.509 8.638 -10.408 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -0.654 6.769 -8.049 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.245 6.197 -9.596 1.00 25.13 H new ATOM 0 HG2 ARG A 70 1.006 5.583 -9.741 1.00 50.40 H new ATOM 0 HG3 ARG A 70 1.046 7.146 -10.532 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.404 7.165 -7.552 1.00 24.25 H new ATOM 0 HD3 ARG A 70 2.715 6.469 -8.482 1.00 24.25 H new ATOM 0 HE ARG A 70 1.828 9.306 -8.509 1.00 54.32 H new ATOM 0 HH11 ARG A 70 3.835 6.777 -10.038 1.00 51.00 H new ATOM 0 HH12 ARG A 70 4.891 7.939 -10.847 1.00 51.00 H new ATOM 0 HH21 ARG A 70 3.180 10.773 -9.543 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.513 10.217 -10.561 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.236 8.458 -8.574 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.688 8.494 -8.616 1.00 61.25 C ATOM 1248 C LEU A 71 -5.144 9.821 -9.228 1.00 45.53 C ATOM 1249 O LEU A 71 -6.327 10.005 -9.507 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.270 8.226 -7.227 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.132 6.793 -6.708 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.271 6.747 -5.185 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.123 5.858 -7.402 1.00 31.15 C ATOM 0 H LEU A 71 -2.834 8.508 -7.638 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.071 7.699 -9.256 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.787 8.897 -6.517 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.328 8.486 -7.242 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.131 6.437 -6.952 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.169 5.718 -4.841 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.493 7.360 -4.730 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.250 7.130 -4.897 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.002 4.847 -7.014 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.140 6.201 -7.212 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -5.934 5.859 -8.475 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.180 10.710 -9.418 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.468 12.014 -9.991 1.00 2.32 C ATOM 1267 C GLN A 72 -5.703 12.625 -9.327 1.00 41.52 C ATOM 1268 O GLN A 72 -6.529 13.244 -9.995 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.652 11.917 -11.507 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.805 10.978 -11.861 1.00 10.21 C ATOM 1271 CD GLN A 72 -6.127 11.043 -13.356 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -6.523 12.067 -13.887 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -5.935 9.896 -14.001 1.00 53.14 N ATOM 0 H GLN A 72 -3.199 10.553 -9.185 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.617 12.669 -9.802 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.847 12.908 -11.917 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.731 11.557 -11.966 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -5.544 9.956 -11.586 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.689 11.248 -11.283 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -5.601 9.076 -13.495 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -6.121 9.836 -15.002 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.790 12.431 -8.019 1.00 45.22 N ATOM 1283 CA LEU A 73 -6.909 12.955 -7.257 1.00 53.22 C ATOM 1284 C LEU A 73 -6.779 14.476 -7.149 1.00 1.12 C ATOM 1285 O LEU A 73 -5.767 15.046 -7.554 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.015 12.249 -5.903 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.021 10.720 -5.944 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -6.742 10.133 -4.559 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.329 10.192 -6.537 1.00 40.04 C ATOM 0 H LEU A 73 -5.102 11.917 -7.468 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.848 12.750 -7.771 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -6.181 12.573 -5.280 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -7.929 12.583 -5.412 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.215 10.393 -6.601 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.752 9.045 -4.616 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -5.765 10.469 -4.211 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.510 10.467 -3.861 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.307 9.102 -6.555 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.167 10.528 -5.927 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.446 10.569 -7.553 1.00 40.04 H new ATOM 1301 N ASN A 74 -7.818 15.089 -6.601 1.00 35.22 N ATOM 1302 CA ASN A 74 -7.833 16.532 -6.433 1.00 74.20 C ATOM 1303 C ASN A 74 -7.682 16.872 -4.949 1.00 51.40 C ATOM 1304 O ASN A 74 -7.800 15.995 -4.094 1.00 1.13 O ATOM 1305 CB ASN A 74 -9.153 17.130 -6.923 1.00 44.21 C ATOM 1306 CG ASN A 74 -8.993 18.615 -7.255 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -9.346 19.492 -6.484 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -8.441 18.848 -8.443 1.00 1.30 N ATOM 0 H ASN A 74 -8.656 14.612 -6.268 1.00 35.22 H new ATOM 0 HA ASN A 74 -7.010 16.947 -7.016 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -9.495 16.591 -7.807 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.919 17.005 -6.158 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -8.291 19.807 -8.756 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -8.168 18.068 -9.040 1.00 1.30 H new ATOM 1315 N ALA A 75 -7.425 18.145 -4.689 1.00 12.11 N ATOM 1316 CA ALA A 75 -7.258 18.610 -3.322 1.00 24.42 C ATOM 1317 C ALA A 75 -8.575 18.433 -2.564 1.00 44.43 C ATOM 1318 O ALA A 75 -8.598 18.485 -1.335 1.00 11.42 O ATOM 1319 CB ALA A 75 -6.782 20.064 -3.333 1.00 14.40 C ATOM 0 H ALA A 75 -7.328 18.869 -5.401 1.00 12.11 H new ATOM 0 HA ALA A 75 -6.499 18.022 -2.806 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -6.657 20.414 -2.308 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -5.829 20.131 -3.858 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -7.521 20.685 -3.840 1.00 14.40 H new ATOM 1325 N ASN A 76 -9.637 18.228 -3.326 1.00 1.33 N ATOM 1326 CA ASN A 76 -10.955 18.043 -2.741 1.00 24.12 C ATOM 1327 C ASN A 76 -11.147 16.568 -2.384 1.00 74.34 C ATOM 1328 O ASN A 76 -11.956 16.234 -1.520 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.056 18.439 -3.726 1.00 13.50 C ATOM 1330 CG ASN A 76 -13.433 18.025 -3.204 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -13.613 18.258 -1.907 1.00 13.31 O flip ATOM 1332 ND2 ASN A 76 -14.277 17.527 -3.931 1.00 33.55 N flip ATOM 0 H ASN A 76 -9.613 18.186 -4.345 1.00 1.33 H new ATOM 0 HA ASN A 76 -11.022 18.673 -1.854 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.033 19.517 -3.888 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -11.872 17.967 -4.691 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -14.074 17.375 -4.919 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -15.186 17.263 -3.551 1.00 33.55 H new ATOM 1339 N GLN A 77 -10.390 15.723 -3.069 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.467 14.291 -2.835 1.00 23.14 C ATOM 1341 C GLN A 77 -9.593 13.900 -1.642 1.00 75.30 C ATOM 1342 O GLN A 77 -8.484 14.411 -1.486 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.067 13.509 -4.088 1.00 64.02 C ATOM 1344 CG GLN A 77 -9.943 12.014 -3.784 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.323 11.373 -3.618 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -12.150 11.374 -4.515 1.00 32.13 O ATOM 1347 NE2 GLN A 77 -11.525 10.826 -2.422 1.00 2.12 N ATOM 0 H GLN A 77 -9.721 16.003 -3.786 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.501 14.036 -2.602 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -10.810 13.664 -4.871 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.118 13.886 -4.469 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.402 11.519 -4.591 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.360 11.871 -2.874 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -10.790 10.860 -1.715 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.414 10.373 -2.212 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.123 12.996 -0.831 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.405 12.531 0.344 1.00 43.41 C ATOM 1358 C ALA A 78 -8.974 11.078 0.130 1.00 61.31 C ATOM 1359 O ALA A 78 -9.741 10.270 -0.391 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.287 12.702 1.582 1.00 61.34 C ATOM 0 H ALA A 78 -11.042 12.573 -0.964 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.503 13.122 0.503 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.749 12.353 2.463 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.541 13.755 1.705 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.201 12.120 1.461 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.749 10.791 0.544 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.207 9.450 0.405 1.00 50.43 C ATOM 1368 C PHE A 79 -6.333 9.084 1.606 1.00 43.02 C ATOM 1369 O PHE A 79 -5.686 9.950 2.193 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.345 9.445 -0.859 1.00 54.22 C ATOM 1371 CG PHE A 79 -5.228 8.398 -0.847 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.153 8.562 -0.031 1.00 41.31 C ATOM 1373 CD2 PHE A 79 -5.313 7.305 -1.651 1.00 44.31 C ATOM 1374 CE1 PHE A 79 -3.117 7.591 -0.020 1.00 70.15 C ATOM 1375 CE2 PHE A 79 -4.277 6.334 -1.639 1.00 23.15 C ATOM 1376 CZ PHE A 79 -3.201 6.498 -0.824 1.00 20.55 C ATOM 0 H PHE A 79 -7.116 11.464 0.976 1.00 75.54 H new ATOM 0 HA PHE A 79 -8.019 8.725 0.347 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.986 9.268 -1.723 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.902 10.432 -0.988 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -4.087 9.430 0.608 1.00 41.31 H new ATOM 0 HD2 PHE A 79 -6.168 7.175 -2.298 1.00 44.31 H new ATOM 0 HE1 PHE A 79 -2.262 7.721 0.627 1.00 70.15 H new ATOM 0 HE2 PHE A 79 -4.344 5.465 -2.277 1.00 23.15 H new ATOM 0 HZ PHE A 79 -2.413 5.760 -0.815 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.343 7.801 1.936 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.558 7.311 3.057 1.00 53.43 C ATOM 1388 C PHE A 80 -4.987 5.923 2.760 1.00 1.31 C ATOM 1389 O PHE A 80 -5.736 4.977 2.521 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.504 7.214 4.255 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.760 8.551 4.955 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.831 9.062 5.806 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -7.918 9.226 4.727 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -6.069 10.302 6.455 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -8.156 10.467 5.376 1.00 25.31 C ATOM 1396 CZ PHE A 80 -7.227 10.979 6.226 1.00 53.22 C ATOM 0 H PHE A 80 -6.882 7.086 1.447 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.723 7.985 3.251 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.456 6.802 3.921 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -6.089 6.511 4.977 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.912 8.525 5.988 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -8.657 8.819 4.053 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -5.331 10.708 7.131 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -9.075 11.004 5.194 1.00 25.31 H new ATOM 0 HZ PHE A 80 -7.408 11.923 6.719 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.664 5.845 2.786 1.00 13.24 N ATOM 1407 CA LEU A 81 -2.983 4.589 2.522 1.00 10.45 C ATOM 1408 C LEU A 81 -2.865 3.795 3.824 1.00 41.41 C ATOM 1409 O LEU A 81 -2.106 4.171 4.717 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.641 4.841 1.831 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.036 3.650 1.086 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.006 2.468 1.062 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -0.587 4.052 -0.320 1.00 32.24 C ATOM 0 H LEU A 81 -3.046 6.631 2.986 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.562 3.980 1.828 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.767 5.660 1.123 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -0.925 5.176 2.582 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.147 3.326 1.627 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.551 1.635 0.526 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -2.232 2.162 2.083 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -2.927 2.763 0.559 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -0.161 3.186 -0.827 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.444 4.418 -0.885 1.00 32.24 H new ATOM 0 HD23 LEU A 81 0.164 4.839 -0.251 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.626 2.713 3.892 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.616 1.863 5.070 1.00 2.41 C ATOM 1427 C LEU A 82 -2.583 0.750 4.882 1.00 23.30 C ATOM 1428 O LEU A 82 -2.725 -0.088 3.991 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.026 1.351 5.374 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.068 2.417 5.712 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.805 3.024 7.091 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.134 3.486 4.619 1.00 2.33 C ATOM 0 H LEU A 82 -4.254 2.405 3.150 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.314 2.433 5.949 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.380 0.786 4.511 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -4.965 0.653 6.209 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.046 1.937 5.753 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.561 3.779 7.306 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.849 2.241 7.848 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.817 3.485 7.103 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -6.883 4.232 4.884 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.161 3.967 4.522 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.405 3.021 3.671 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.570 0.776 5.734 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.514 -0.221 5.673 1.00 54.23 C ATOM 1446 C VAL A 83 -0.935 -1.453 6.475 1.00 0.12 C ATOM 1447 O VAL A 83 -1.018 -1.402 7.701 1.00 11.13 O ATOM 1448 CB VAL A 83 0.805 0.384 6.155 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.741 -0.700 6.694 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.482 1.186 5.040 1.00 25.30 C ATOM 0 H VAL A 83 -1.457 1.472 6.471 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.352 -0.543 4.644 1.00 54.23 H new ATOM 0 HB VAL A 83 0.579 1.070 6.972 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.672 -0.243 7.030 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.264 -1.209 7.531 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.955 -1.421 5.905 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.418 1.605 5.410 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.687 0.531 4.194 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.823 1.994 4.722 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.191 -2.533 5.750 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.601 -3.777 6.380 1.00 22.42 C ATOM 1462 C ASN A 84 -3.033 -3.632 6.900 1.00 41.23 C ATOM 1463 O ASN A 84 -3.541 -4.517 7.585 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.699 -4.117 7.567 1.00 70.52 C ATOM 1465 CG ASN A 84 0.019 -5.450 7.346 1.00 20.31 C ATOM 1466 OD1 ASN A 84 1.273 -5.324 6.921 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.528 -6.521 7.549 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.122 -2.572 4.733 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.532 -4.571 5.636 1.00 22.42 H new ATOM 0 HB2 ASN A 84 0.035 -3.324 7.710 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.295 -4.167 8.478 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.494 -6.547 7.875 1.00 73.33 H new ATOM 0 HD22 ASN A 84 -0.019 -7.391 7.393 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.644 -2.508 6.553 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.007 -2.236 6.975 1.00 4.21 C ATOM 1476 C GLY A 85 -5.036 -1.194 8.095 1.00 61.15 C ATOM 1477 O GLY A 85 -6.089 -0.924 8.671 1.00 20.01 O ATOM 0 H GLY A 85 -3.219 -1.775 5.984 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.590 -1.879 6.126 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.476 -3.158 7.319 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.866 -0.637 8.373 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.744 0.369 9.414 1.00 11.12 C ATOM 1483 C HIS A 86 -3.031 1.602 8.855 1.00 50.33 C ATOM 1484 O HIS A 86 -2.067 1.478 8.100 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.050 -0.208 10.649 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.694 -0.811 10.366 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.599 -0.053 9.992 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.270 -2.108 10.405 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.433 -0.865 9.817 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.015 -2.138 10.073 1.00 4.14 N ATOM 0 H HIS A 86 -2.994 -0.864 7.895 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.736 0.682 9.740 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.937 0.582 11.392 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.691 -0.971 11.090 1.00 31.02 H new ATOM 0 HD2 HIS A 86 -1.877 -2.964 10.662 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.430 -0.571 9.523 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.595 -2.976 10.018 1.00 4.14 H new ATOM 1498 N SER A 87 -3.531 2.764 9.247 1.00 21.12 N ATOM 1499 CA SER A 87 -2.955 4.018 8.795 1.00 35.33 C ATOM 1500 C SER A 87 -1.475 4.082 9.177 1.00 12.03 C ATOM 1501 O SER A 87 -0.983 3.229 9.915 1.00 44.20 O ATOM 1502 CB SER A 87 -3.706 5.215 9.383 1.00 21.01 C ATOM 1503 OG SER A 87 -4.531 4.838 10.482 1.00 72.54 O ATOM 0 H SER A 87 -4.330 2.863 9.874 1.00 21.12 H new ATOM 0 HA SER A 87 -3.047 4.064 7.710 1.00 35.33 H new ATOM 0 HB2 SER A 87 -2.989 5.969 9.709 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.321 5.674 8.609 1.00 21.01 H new ATOM 0 HG SER A 87 -4.992 5.629 10.831 1.00 72.54 H new ATOM 1509 N MET A 88 -0.805 5.101 8.658 1.00 23.44 N ATOM 1510 CA MET A 88 0.610 5.286 8.937 1.00 70.11 C ATOM 1511 C MET A 88 0.845 6.559 9.752 1.00 34.21 C ATOM 1512 O MET A 88 1.975 7.037 9.852 1.00 30.24 O ATOM 1513 CB MET A 88 1.382 5.374 7.619 1.00 23.21 C ATOM 1514 CG MET A 88 0.554 6.083 6.544 1.00 12.04 C ATOM 1515 SD MET A 88 0.128 7.728 7.090 1.00 73.31 S ATOM 1516 CE MET A 88 -1.619 7.733 6.723 1.00 51.33 C ATOM 0 H MET A 88 -1.215 5.807 8.046 1.00 23.44 H new ATOM 0 HA MET A 88 0.962 4.434 9.519 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.317 5.912 7.776 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.644 4.372 7.279 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.119 6.134 5.613 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.352 5.514 6.336 1.00 12.04 H new ATOM 0 HE1 MET A 88 -1.913 8.720 6.367 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.831 6.991 5.953 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.181 7.490 7.625 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.239 7.072 10.315 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.164 8.281 11.119 1.00 62.21 C ATOM 1528 C VAL A 89 1.100 8.237 11.980 1.00 24.13 C ATOM 1529 O VAL A 89 1.326 7.272 12.709 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.443 8.441 11.943 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -2.682 8.172 11.088 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -1.419 7.535 13.175 1.00 72.21 C ATOM 0 H VAL A 89 -1.174 6.673 10.231 1.00 62.44 H new ATOM 0 HA VAL A 89 -0.092 9.161 10.480 1.00 62.21 H new ATOM 0 HB VAL A 89 -1.492 9.474 12.289 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -3.578 8.292 11.697 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -2.711 8.877 10.257 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -2.642 7.155 10.699 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -2.340 7.669 13.743 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -1.334 6.495 12.860 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -0.566 7.795 13.801 1.00 72.21 H new ATOM 1542 N SER A 90 1.891 9.295 11.867 1.00 43.15 N ATOM 1543 CA SER A 90 3.126 9.389 12.626 1.00 5.54 C ATOM 1544 C SER A 90 4.275 8.760 11.837 1.00 40.34 C ATOM 1545 O SER A 90 5.295 8.383 12.412 1.00 35.33 O ATOM 1546 CB SER A 90 2.988 8.713 13.991 1.00 14.32 C ATOM 1547 OG SER A 90 3.509 7.387 13.986 1.00 2.52 O ATOM 0 H SER A 90 1.700 10.093 11.262 1.00 43.15 H new ATOM 0 HA SER A 90 3.343 10.444 12.794 1.00 5.54 H new ATOM 0 HB2 SER A 90 3.510 9.305 14.743 1.00 14.32 H new ATOM 0 HB3 SER A 90 1.937 8.688 14.279 1.00 14.32 H new ATOM 0 HG SER A 90 2.896 6.796 13.501 1.00 2.52 H new ATOM 1553 N VAL A 91 4.072 8.666 10.531 1.00 73.43 N ATOM 1554 CA VAL A 91 5.079 8.089 9.657 1.00 23.12 C ATOM 1555 C VAL A 91 6.466 8.538 10.116 1.00 2.11 C ATOM 1556 O VAL A 91 6.841 9.695 9.932 1.00 34.04 O ATOM 1557 CB VAL A 91 4.782 8.459 8.202 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.102 9.827 8.111 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.057 8.424 7.356 1.00 15.53 C ATOM 0 H VAL A 91 3.225 8.980 10.057 1.00 73.43 H new ATOM 0 HA VAL A 91 5.055 7.001 9.714 1.00 23.12 H new ATOM 0 HB VAL A 91 4.093 7.715 7.802 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.902 10.065 7.066 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.163 9.804 8.664 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.756 10.587 8.538 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.818 8.691 6.327 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.779 9.135 7.757 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.483 7.421 7.381 1.00 15.53 H new ATOM 1569 N SER A 92 7.192 7.600 10.706 1.00 1.13 N ATOM 1570 CA SER A 92 8.530 7.884 11.195 1.00 51.40 C ATOM 1571 C SER A 92 9.476 6.738 10.831 1.00 74.42 C ATOM 1572 O SER A 92 10.593 6.664 11.339 1.00 22.05 O ATOM 1573 CB SER A 92 8.529 8.110 12.707 1.00 12.45 C ATOM 1574 OG SER A 92 7.371 7.557 13.328 1.00 11.51 O ATOM 0 H SER A 92 6.878 6.641 10.857 1.00 1.13 H new ATOM 0 HA SER A 92 8.879 8.800 10.718 1.00 51.40 H new ATOM 0 HB2 SER A 92 9.423 7.662 13.141 1.00 12.45 H new ATOM 0 HB3 SER A 92 8.576 9.179 12.914 1.00 12.45 H new ATOM 0 HG SER A 92 6.618 8.176 13.226 1.00 11.51 H new ATOM 1580 N THR A 93 8.992 5.870 9.952 1.00 61.14 N ATOM 1581 CA THR A 93 9.779 4.730 9.514 1.00 63.22 C ATOM 1582 C THR A 93 9.909 4.726 7.990 1.00 21.35 C ATOM 1583 O THR A 93 8.968 5.085 7.283 1.00 40.15 O ATOM 1584 CB THR A 93 9.129 3.464 10.073 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.067 3.695 11.478 1.00 4.41 O ATOM 1586 CG2 THR A 93 10.029 2.234 9.937 1.00 72.01 C ATOM 0 H THR A 93 8.065 5.934 9.532 1.00 61.14 H new ATOM 0 HA THR A 93 10.799 4.783 9.895 1.00 63.22 H new ATOM 0 HB THR A 93 8.186 3.283 9.557 1.00 14.31 H new ATOM 0 HG1 THR A 93 8.656 2.922 11.919 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.520 1.363 10.349 1.00 72.01 H new ATOM 0 HG22 THR A 93 10.251 2.060 8.884 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.959 2.402 10.481 1.00 72.01 H new ATOM 1594 N PRO A 94 11.112 4.304 7.517 1.00 14.14 N ATOM 1595 CA PRO A 94 11.376 4.248 6.089 1.00 74.20 C ATOM 1596 C PRO A 94 10.666 3.055 5.447 1.00 15.02 C ATOM 1597 O PRO A 94 10.560 1.990 6.054 1.00 45.33 O ATOM 1598 CB PRO A 94 12.890 4.173 5.972 1.00 44.34 C ATOM 1599 CG PRO A 94 13.391 3.721 7.334 1.00 22.42 C ATOM 1600 CD PRO A 94 12.248 3.872 8.325 1.00 54.04 C ATOM 0 HA PRO A 94 10.991 5.117 5.555 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.187 3.470 5.194 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.310 5.143 5.703 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.726 2.685 7.293 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.247 4.321 7.644 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.037 2.931 8.833 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.487 4.604 9.096 1.00 54.04 H new ATOM 1608 N ILE A 95 10.199 3.272 4.226 1.00 43.23 N ATOM 1609 CA ILE A 95 9.502 2.228 3.494 1.00 11.34 C ATOM 1610 C ILE A 95 10.386 0.981 3.429 1.00 4.52 C ATOM 1611 O ILE A 95 9.893 -0.122 3.197 1.00 11.01 O ATOM 1612 CB ILE A 95 9.057 2.740 2.122 1.00 53.24 C ATOM 1613 CG1 ILE A 95 7.915 1.889 1.564 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.241 2.816 1.156 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.756 2.770 1.091 1.00 23.35 C ATOM 0 H ILE A 95 10.290 4.156 3.725 1.00 43.23 H new ATOM 0 HA ILE A 95 8.587 1.944 4.013 1.00 11.34 H new ATOM 0 HB ILE A 95 8.674 3.753 2.242 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.279 1.284 0.734 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.563 1.199 2.331 1.00 71.40 H new ATOM 0 HG21 ILE A 95 9.898 3.183 0.188 1.00 74.51 H new ATOM 0 HG22 ILE A 95 10.994 3.496 1.556 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.676 1.824 1.035 1.00 74.51 H new ATOM 0 HD11 ILE A 95 5.957 2.141 0.699 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.378 3.355 1.929 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.106 3.442 0.308 1.00 23.35 H new ATOM 1627 N SER A 96 11.676 1.198 3.635 1.00 11.42 N ATOM 1628 CA SER A 96 12.634 0.105 3.603 1.00 51.52 C ATOM 1629 C SER A 96 12.416 -0.817 4.804 1.00 41.31 C ATOM 1630 O SER A 96 12.565 -2.034 4.693 1.00 24.42 O ATOM 1631 CB SER A 96 14.070 0.632 3.590 1.00 73.11 C ATOM 1632 OG SER A 96 14.476 1.108 4.870 1.00 50.12 O ATOM 0 H SER A 96 12.081 2.115 3.825 1.00 11.42 H new ATOM 0 HA SER A 96 12.476 -0.462 2.686 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.744 -0.161 3.268 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.154 1.437 2.860 1.00 73.11 H new ATOM 0 HG SER A 96 15.399 1.434 4.820 1.00 50.12 H new ATOM 1638 N GLU A 97 12.070 -0.203 5.925 1.00 73.25 N ATOM 1639 CA GLU A 97 11.831 -0.953 7.147 1.00 22.40 C ATOM 1640 C GLU A 97 10.351 -1.326 7.260 1.00 74.43 C ATOM 1641 O GLU A 97 10.016 -2.484 7.502 1.00 53.53 O ATOM 1642 CB GLU A 97 12.294 -0.166 8.374 1.00 24.31 C ATOM 1643 CG GLU A 97 13.761 0.247 8.240 1.00 14.32 C ATOM 1644 CD GLU A 97 14.692 -0.913 8.597 1.00 13.10 C ATOM 1645 OE1 GLU A 97 15.173 -0.993 9.738 1.00 33.11 O ATOM 1646 OE2 GLU A 97 14.910 -1.752 7.642 1.00 21.14 O ATOM 0 H GLU A 97 11.949 0.806 6.013 1.00 73.25 H new ATOM 0 HA GLU A 97 12.415 -1.872 7.106 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.673 0.721 8.497 1.00 24.31 H new ATOM 0 HB3 GLU A 97 12.164 -0.773 9.270 1.00 24.31 H new ATOM 0 HG2 GLU A 97 13.958 0.575 7.220 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.965 1.096 8.893 1.00 14.32 H new ATOM 1654 N VAL A 98 9.505 -0.322 7.082 1.00 73.03 N ATOM 1655 CA VAL A 98 8.070 -0.529 7.161 1.00 14.31 C ATOM 1656 C VAL A 98 7.704 -1.818 6.422 1.00 14.23 C ATOM 1657 O VAL A 98 6.835 -2.566 6.866 1.00 62.31 O ATOM 1658 CB VAL A 98 7.333 0.699 6.623 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.840 0.410 6.448 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.555 1.912 7.529 1.00 53.40 C ATOM 0 H VAL A 98 9.787 0.638 6.883 1.00 73.03 H new ATOM 0 HA VAL A 98 7.758 -0.649 8.198 1.00 14.31 H new ATOM 0 HB VAL A 98 7.745 0.934 5.642 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.340 1.299 6.064 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.709 -0.412 5.744 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.407 0.137 7.410 1.00 53.03 H new ATOM 0 HG21 VAL A 98 7.020 2.771 7.124 1.00 53.40 H new ATOM 0 HG22 VAL A 98 7.183 1.692 8.530 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.620 2.138 7.580 1.00 53.40 H new ATOM 1670 N TYR A 99 8.385 -2.037 5.307 1.00 23.41 N ATOM 1671 CA TYR A 99 8.142 -3.221 4.502 1.00 72.23 C ATOM 1672 C TYR A 99 8.800 -4.454 5.127 1.00 41.42 C ATOM 1673 O TYR A 99 8.254 -5.553 5.064 1.00 44.51 O ATOM 1674 CB TYR A 99 8.787 -2.947 3.142 1.00 73.42 C ATOM 1675 CG TYR A 99 9.160 -4.211 2.365 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.287 -4.928 2.710 1.00 10.12 C ATOM 1677 CD2 TYR A 99 8.367 -4.634 1.316 1.00 72.44 C ATOM 1678 CE1 TYR A 99 10.637 -6.117 1.977 1.00 13.41 C ATOM 1679 CE2 TYR A 99 8.717 -5.824 0.584 1.00 65.15 C ATOM 1680 CZ TYR A 99 9.835 -6.507 0.951 1.00 12.34 C ATOM 1681 OH TYR A 99 10.166 -7.629 0.258 1.00 34.03 O ATOM 0 H TYR A 99 9.105 -1.414 4.942 1.00 23.41 H new ATOM 0 HA TYR A 99 7.073 -3.419 4.425 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.101 -2.351 2.539 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.684 -2.346 3.291 1.00 73.42 H new ATOM 0 HD1 TYR A 99 10.907 -4.597 3.530 1.00 10.12 H new ATOM 0 HD2 TYR A 99 7.485 -4.073 1.045 1.00 72.44 H new ATOM 0 HE1 TYR A 99 11.517 -6.686 2.237 1.00 13.41 H new ATOM 0 HE2 TYR A 99 8.106 -6.166 -0.238 1.00 65.15 H new ATOM 0 HH TYR A 99 9.399 -7.921 -0.277 1.00 34.03 H new ATOM 1691 N GLU A 100 9.965 -4.227 5.717 1.00 24.12 N ATOM 1692 CA GLU A 100 10.704 -5.305 6.352 1.00 10.14 C ATOM 1693 C GLU A 100 10.150 -5.574 7.753 1.00 24.24 C ATOM 1694 O GLU A 100 10.589 -6.503 8.430 1.00 64.34 O ATOM 1695 CB GLU A 100 12.199 -4.987 6.406 1.00 52.12 C ATOM 1696 CG GLU A 100 12.566 -4.294 7.720 1.00 41.55 C ATOM 1697 CD GLU A 100 13.038 -5.310 8.762 1.00 3.21 C ATOM 1698 OE1 GLU A 100 13.925 -6.127 8.475 1.00 23.53 O ATOM 1699 OE2 GLU A 100 12.449 -5.230 9.908 1.00 74.24 O ATOM 0 H GLU A 100 10.415 -3.313 5.768 1.00 24.12 H new ATOM 0 HA GLU A 100 10.579 -6.207 5.753 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.774 -5.907 6.303 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.469 -4.347 5.566 1.00 52.12 H new ATOM 0 HG2 GLU A 100 13.351 -3.560 7.541 1.00 41.55 H new ATOM 0 HG3 GLU A 100 11.702 -3.750 8.102 1.00 41.55 H new ATOM 1707 N SER A 101 9.194 -4.745 8.146 1.00 23.43 N ATOM 1708 CA SER A 101 8.574 -4.883 9.453 1.00 33.22 C ATOM 1709 C SER A 101 7.086 -5.202 9.298 1.00 63.15 C ATOM 1710 O SER A 101 6.352 -5.251 10.282 1.00 0.10 O ATOM 1711 CB SER A 101 8.761 -3.613 10.286 1.00 23.11 C ATOM 1712 OG SER A 101 10.020 -3.591 10.952 1.00 11.13 O ATOM 0 H SER A 101 8.834 -3.975 7.582 1.00 23.43 H new ATOM 0 HA SER A 101 9.061 -5.706 9.977 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.678 -2.740 9.639 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.960 -3.541 11.022 1.00 23.11 H new ATOM 0 HG SER A 101 10.661 -4.143 10.457 1.00 11.13 H new ATOM 1718 N GLU A 102 6.687 -5.410 8.052 1.00 74.03 N ATOM 1719 CA GLU A 102 5.299 -5.723 7.754 1.00 73.55 C ATOM 1720 C GLU A 102 5.218 -6.904 6.785 1.00 44.54 C ATOM 1721 O GLU A 102 4.462 -7.847 7.011 1.00 34.43 O ATOM 1722 CB GLU A 102 4.570 -4.501 7.191 1.00 0.30 C ATOM 1723 CG GLU A 102 4.409 -3.419 8.261 1.00 75.10 C ATOM 1724 CD GLU A 102 3.200 -3.708 9.155 1.00 24.40 C ATOM 1725 OE1 GLU A 102 3.369 -4.022 10.343 1.00 30.04 O ATOM 1726 OE2 GLU A 102 2.054 -3.596 8.575 1.00 73.01 O ATOM 0 H GLU A 102 7.300 -5.368 7.238 1.00 74.03 H new ATOM 0 HA GLU A 102 4.803 -6.005 8.683 1.00 73.55 H new ATOM 0 HB2 GLU A 102 5.126 -4.100 6.343 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.590 -4.798 6.818 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.312 -3.367 8.870 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.289 -2.446 7.784 1.00 75.10 H new ATOM 1734 N ARG A 103 6.007 -6.814 5.724 1.00 73.01 N ATOM 1735 CA ARG A 103 6.034 -7.864 4.720 1.00 11.32 C ATOM 1736 C ARG A 103 5.895 -9.236 5.381 1.00 10.30 C ATOM 1737 O ARG A 103 6.318 -9.425 6.521 1.00 22.34 O ATOM 1738 CB ARG A 103 7.335 -7.822 3.915 1.00 73.24 C ATOM 1739 CG ARG A 103 8.541 -8.124 4.807 1.00 1.11 C ATOM 1740 CD ARG A 103 8.855 -9.622 4.815 1.00 64.23 C ATOM 1741 NE ARG A 103 10.205 -9.852 5.375 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.494 -9.821 6.694 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.527 -9.568 7.601 1.00 40.42 N ATOM 1744 NH2 ARG A 103 11.737 -10.041 7.082 1.00 53.31 N ATOM 0 H ARG A 103 6.632 -6.030 5.538 1.00 73.01 H new ATOM 0 HA ARG A 103 5.195 -7.697 4.044 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.288 -8.547 3.103 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.453 -6.839 3.458 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.409 -7.569 4.452 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.340 -7.785 5.823 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.111 -10.155 5.407 1.00 64.23 H new ATOM 0 HD3 ARG A 103 8.800 -10.019 3.801 1.00 64.23 H new ATOM 0 HE ARG A 103 10.966 -10.046 4.724 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.570 -9.398 7.292 1.00 40.42 H new ATOM 0 HH12 ARG A 103 9.753 -9.546 8.595 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.461 -10.231 6.389 1.00 53.31 H new ATOM 0 HH22 ARG A 103 11.973 -10.021 8.074 1.00 53.31 H new ATOM 1757 N ASP A 104 5.300 -10.158 4.639 1.00 3.22 N ATOM 1758 CA ASP A 104 5.101 -11.508 5.140 1.00 24.23 C ATOM 1759 C ASP A 104 6.124 -12.444 4.494 1.00 52.11 C ATOM 1760 O ASP A 104 7.001 -11.996 3.755 1.00 14.33 O ATOM 1761 CB ASP A 104 3.703 -12.022 4.791 1.00 21.34 C ATOM 1762 CG ASP A 104 2.651 -11.829 5.885 1.00 33.24 C ATOM 1763 OD1 ASP A 104 2.505 -12.667 6.786 1.00 13.53 O ATOM 1764 OD2 ASP A 104 1.954 -10.748 5.784 1.00 12.42 O ATOM 0 H ASP A 104 4.949 -9.997 3.695 1.00 3.22 H new ATOM 0 HA ASP A 104 5.219 -11.487 6.223 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.362 -11.517 3.887 1.00 21.34 H new ATOM 0 HB3 ASP A 104 3.771 -13.084 4.557 1.00 21.34 H new ATOM 1770 N GLU A 105 5.979 -13.725 4.795 1.00 4.45 N ATOM 1771 CA GLU A 105 6.880 -14.729 4.253 1.00 23.41 C ATOM 1772 C GLU A 105 7.012 -14.561 2.738 1.00 43.50 C ATOM 1773 O GLU A 105 8.120 -14.559 2.204 1.00 71.12 O ATOM 1774 CB GLU A 105 6.408 -16.140 4.609 1.00 74.25 C ATOM 1775 CG GLU A 105 6.405 -16.351 6.124 1.00 61.33 C ATOM 1776 CD GLU A 105 7.792 -16.091 6.716 1.00 54.43 C ATOM 1777 OE1 GLU A 105 8.627 -17.006 6.767 1.00 41.24 O ATOM 1778 OE2 GLU A 105 7.990 -14.885 7.131 1.00 31.11 O ATOM 0 H GLU A 105 5.251 -14.092 5.408 1.00 4.45 H new ATOM 0 HA GLU A 105 7.863 -14.587 4.702 1.00 23.41 H new ATOM 0 HB2 GLU A 105 5.405 -16.302 4.214 1.00 74.25 H new ATOM 0 HB3 GLU A 105 7.060 -16.875 4.137 1.00 74.25 H new ATOM 0 HG2 GLU A 105 5.677 -15.684 6.586 1.00 61.33 H new ATOM 0 HG3 GLU A 105 6.093 -17.370 6.352 1.00 61.33 H new ATOM 1786 N ASP A 106 5.866 -14.423 2.088 1.00 14.21 N ATOM 1787 CA ASP A 106 5.839 -14.254 0.645 1.00 71.01 C ATOM 1788 C ASP A 106 6.883 -13.212 0.238 1.00 12.41 C ATOM 1789 O ASP A 106 7.694 -13.455 -0.654 1.00 41.35 O ATOM 1790 CB ASP A 106 4.470 -13.761 0.173 1.00 4.22 C ATOM 1791 CG ASP A 106 3.882 -12.609 0.988 1.00 72.31 C ATOM 1792 OD1 ASP A 106 3.379 -12.808 2.105 1.00 41.53 O ATOM 1793 OD2 ASP A 106 3.953 -11.450 0.426 1.00 55.23 O ATOM 0 H ASP A 106 4.949 -14.425 2.534 1.00 14.21 H new ATOM 0 HA ASP A 106 6.051 -15.221 0.189 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.553 -13.445 -0.867 1.00 4.22 H new ATOM 0 HB3 ASP A 106 3.771 -14.597 0.197 1.00 4.22 H new ATOM 1799 N GLY A 107 6.829 -12.072 0.913 1.00 33.44 N ATOM 1800 CA GLY A 107 7.760 -10.993 0.633 1.00 23.13 C ATOM 1801 C GLY A 107 7.095 -9.899 -0.205 1.00 31.21 C ATOM 1802 O GLY A 107 7.674 -9.417 -1.177 1.00 13.31 O ATOM 0 H GLY A 107 6.155 -11.873 1.652 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.123 -10.569 1.569 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.628 -11.385 0.103 1.00 23.13 H new ATOM 1806 N PHE A 108 5.886 -9.539 0.202 1.00 52.33 N ATOM 1807 CA PHE A 108 5.135 -8.510 -0.499 1.00 14.14 C ATOM 1808 C PHE A 108 4.298 -7.682 0.477 1.00 21.33 C ATOM 1809 O PHE A 108 3.589 -8.235 1.317 1.00 22.32 O ATOM 1810 CB PHE A 108 4.200 -9.228 -1.475 1.00 51.42 C ATOM 1811 CG PHE A 108 4.369 -8.792 -2.932 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.573 -7.481 -3.230 1.00 32.51 C ATOM 1813 CD2 PHE A 108 4.315 -9.716 -3.928 1.00 14.11 C ATOM 1814 CE1 PHE A 108 4.730 -7.078 -4.583 1.00 73.31 C ATOM 1815 CE2 PHE A 108 4.471 -9.313 -5.280 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.676 -8.002 -5.580 1.00 4.21 C ATOM 0 H PHE A 108 5.408 -9.941 1.008 1.00 52.33 H new ATOM 0 HA PHE A 108 5.818 -7.834 -1.013 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.373 -10.302 -1.405 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.168 -9.051 -1.171 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.616 -6.747 -2.439 1.00 32.51 H new ATOM 0 HD2 PHE A 108 4.153 -10.757 -3.690 1.00 14.11 H new ATOM 0 HE1 PHE A 108 4.892 -6.037 -4.820 1.00 73.31 H new ATOM 0 HE2 PHE A 108 4.427 -10.047 -6.071 1.00 54.21 H new ATOM 0 HZ PHE A 108 4.796 -7.695 -6.609 1.00 4.21 H new ATOM 1826 N LEU A 109 4.407 -6.370 0.334 1.00 21.41 N ATOM 1827 CA LEU A 109 3.668 -5.459 1.192 1.00 35.21 C ATOM 1828 C LEU A 109 2.218 -5.377 0.713 1.00 20.13 C ATOM 1829 O LEU A 109 1.960 -5.316 -0.488 1.00 53.12 O ATOM 1830 CB LEU A 109 4.370 -4.101 1.263 1.00 71.00 C ATOM 1831 CG LEU A 109 5.172 -3.826 2.536 1.00 51.53 C ATOM 1832 CD1 LEU A 109 4.285 -3.212 3.621 1.00 10.31 C ATOM 1833 CD2 LEU A 109 5.879 -5.092 3.023 1.00 53.35 C ATOM 0 H LEU A 109 4.996 -5.915 -0.363 1.00 21.41 H new ATOM 0 HA LEU A 109 3.645 -5.834 2.215 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.042 -4.017 0.409 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.618 -3.319 1.155 1.00 71.00 H new ATOM 0 HG LEU A 109 5.946 -3.095 2.301 1.00 51.53 H new ATOM 0 HD11 LEU A 109 4.880 -3.026 4.515 1.00 10.31 H new ATOM 0 HD12 LEU A 109 3.868 -2.271 3.261 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.474 -3.900 3.861 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.442 -4.869 3.929 1.00 53.35 H new ATOM 0 HD22 LEU A 109 5.139 -5.863 3.236 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.561 -5.448 2.251 1.00 53.35 H new ATOM 1845 N TYR A 110 1.309 -5.378 1.677 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.110 -5.304 1.369 1.00 32.34 C ATOM 1847 C TYR A 110 -0.767 -4.128 2.094 1.00 41.52 C ATOM 1848 O TYR A 110 -0.934 -4.160 3.311 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.720 -6.610 1.880 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.150 -7.865 1.216 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.530 -8.199 -0.067 1.00 40.13 C ATOM 1852 CD2 TYR A 110 0.742 -8.663 1.901 1.00 65.35 C ATOM 1853 CE1 TYR A 110 0.007 -9.381 -0.692 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.279 -9.845 1.278 1.00 23.30 C ATOM 1855 CZ TYR A 110 0.884 -10.145 0.012 1.00 64.21 C ATOM 1856 OH TYR A 110 1.391 -11.261 -0.579 1.00 75.44 O ATOM 0 H TYR A 110 1.527 -5.429 2.672 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.265 -5.161 0.300 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.561 -6.677 2.956 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.798 -6.583 1.718 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.230 -7.575 -0.603 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.038 -8.401 2.906 1.00 65.35 H new ATOM 0 HE1 TYR A 110 -0.281 -9.654 -1.697 1.00 12.12 H new ATOM 0 HE2 TYR A 110 1.979 -10.478 1.804 1.00 23.30 H new ATOM 0 HH TYR A 110 2.337 -11.356 -0.342 1.00 75.44 H new ATOM 1866 N MET A 111 -1.124 -3.118 1.314 1.00 11.54 N ATOM 1867 CA MET A 111 -1.760 -1.934 1.866 1.00 54.55 C ATOM 1868 C MET A 111 -3.026 -1.576 1.084 1.00 15.42 C ATOM 1869 O MET A 111 -3.047 -1.661 -0.143 1.00 64.01 O ATOM 1870 CB MET A 111 -0.782 -0.759 1.819 1.00 60.14 C ATOM 1871 CG MET A 111 0.646 -1.222 2.117 1.00 4.13 C ATOM 1872 SD MET A 111 1.751 0.179 2.131 1.00 11.21 S ATOM 1873 CE MET A 111 3.204 -0.564 1.405 1.00 41.54 C ATOM 0 H MET A 111 -0.985 -3.095 0.304 1.00 11.54 H new ATOM 0 HA MET A 111 -2.040 -2.144 2.898 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.818 -0.290 0.836 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.082 -0.002 2.544 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.679 -1.731 3.080 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.968 -1.942 1.365 1.00 4.13 H new ATOM 0 HE1 MET A 111 4.035 -0.501 2.108 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.001 -1.610 1.175 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.464 -0.035 0.488 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.051 -1.186 1.828 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.318 -0.815 1.219 1.00 51.41 C ATOM 1885 C VAL A 112 -5.531 0.692 1.373 1.00 34.21 C ATOM 1886 O VAL A 112 -5.331 1.243 2.454 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.452 -1.645 1.826 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.803 -0.958 1.619 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.463 -3.062 1.251 1.00 14.04 C ATOM 0 H VAL A 112 -4.030 -1.119 2.846 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.308 -1.034 0.151 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.275 -1.721 2.899 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.592 -1.567 2.059 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.791 0.021 2.098 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -7.990 -0.837 0.552 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.278 -3.630 1.699 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.604 -3.015 0.171 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.515 -3.552 1.472 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.933 1.316 0.274 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.175 2.749 0.274 1.00 64.13 C ATOM 1901 C TYR A 113 -7.660 3.053 0.068 1.00 45.34 C ATOM 1902 O TYR A 113 -8.381 2.264 -0.541 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.383 3.309 -0.910 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.041 3.068 -2.269 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.067 3.888 -2.695 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -5.612 2.029 -3.070 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -7.686 3.662 -3.974 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.232 1.802 -4.350 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.238 2.629 -4.739 1.00 23.23 C ATOM 1910 OH TYR A 113 -7.823 2.415 -5.947 1.00 43.21 O ATOM 0 H TYR A 113 -6.097 0.855 -0.621 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.875 3.190 1.225 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.248 4.381 -0.769 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.390 2.860 -0.914 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.405 4.700 -2.068 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -4.811 1.386 -2.737 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.488 4.298 -4.319 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -5.905 0.993 -4.986 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.313 3.218 -6.220 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.073 4.199 0.589 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.459 4.618 0.472 1.00 1.44 C ATOM 1922 C ALA A 114 -9.590 6.070 0.935 1.00 2.12 C ATOM 1923 O ALA A 114 -8.608 6.684 1.348 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.350 3.668 1.273 1.00 12.02 C ATOM 0 H ALA A 114 -7.472 4.851 1.093 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.786 4.573 -0.567 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.390 3.983 1.185 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.244 2.655 0.885 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -10.053 3.688 2.322 1.00 12.02 H new ATOM 1930 N SER A 115 -10.812 6.577 0.852 1.00 54.31 N ATOM 1931 CA SER A 115 -11.084 7.945 1.258 1.00 61.52 C ATOM 1932 C SER A 115 -11.416 7.992 2.750 1.00 53.55 C ATOM 1933 O SER A 115 -12.090 8.911 3.212 1.00 63.34 O ATOM 1934 CB SER A 115 -12.229 8.545 0.440 1.00 1.23 C ATOM 1935 OG SER A 115 -12.789 9.696 1.068 1.00 60.44 O ATOM 0 H SER A 115 -11.625 6.064 0.509 1.00 54.31 H new ATOM 0 HA SER A 115 -10.190 8.541 1.073 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.864 8.814 -0.551 1.00 1.23 H new ATOM 0 HB3 SER A 115 -13.007 7.794 0.300 1.00 1.23 H new ATOM 0 HG SER A 115 -13.096 9.461 1.969 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.927 6.988 3.464 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.162 6.903 4.896 1.00 53.23 C ATOM 1943 C GLN A 116 -9.994 6.197 5.586 1.00 50.42 C ATOM 1944 O GLN A 116 -9.432 5.246 5.044 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.485 6.192 5.192 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.611 5.867 6.681 1.00 21.34 C ATOM 1947 CD GLN A 116 -12.891 7.131 7.497 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -12.395 8.208 7.211 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -13.711 6.940 8.527 1.00 55.11 N ATOM 0 H GLN A 116 -10.369 6.227 3.078 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.233 7.915 5.293 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -13.318 6.823 4.882 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.547 5.273 4.609 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -13.415 5.147 6.833 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.692 5.398 7.034 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.092 6.012 8.711 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -13.959 7.722 9.133 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.663 6.689 6.770 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.571 6.117 7.539 1.00 34.21 C ATOM 1960 C GLU A 117 -9.070 5.662 8.913 1.00 42.32 C ATOM 1961 O GLU A 117 -8.306 5.113 9.704 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.416 7.111 7.677 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.643 6.878 8.976 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.420 7.792 9.057 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.593 7.807 8.133 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.344 8.507 10.129 1.00 14.44 O ATOM 0 H GLU A 117 -10.132 7.478 7.216 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.194 5.246 7.004 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.742 7.011 6.826 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.804 8.129 7.658 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.296 7.061 9.830 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.327 5.836 9.034 1.00 44.23 H new ATOM 1974 N THR A 118 -10.350 5.910 9.153 1.00 32.30 N ATOM 1975 CA THR A 118 -10.960 5.534 10.416 1.00 34.24 C ATOM 1976 C THR A 118 -12.338 4.913 10.180 1.00 33.31 C ATOM 1977 O THR A 118 -13.356 5.492 10.557 1.00 43.32 O ATOM 1978 CB THR A 118 -10.997 6.774 11.312 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.745 7.723 10.558 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.620 7.424 11.469 1.00 11.22 C ATOM 0 H THR A 118 -10.980 6.367 8.494 1.00 32.30 H new ATOM 0 HA THR A 118 -10.376 4.766 10.923 1.00 34.24 H new ATOM 0 HB THR A 118 -11.384 6.502 12.294 1.00 61.45 H new ATOM 0 HG1 THR A 118 -11.820 8.558 11.065 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.702 8.299 12.114 1.00 11.22 H new ATOM 0 HG22 THR A 118 -8.929 6.709 11.914 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.247 7.728 10.491 1.00 11.22 H new ATOM 2085 N ASP B 337 8.784 -5.685 -15.141 1.00 34.41 N ATOM 2086 CA ASP B 337 9.067 -4.595 -14.223 1.00 41.12 C ATOM 2087 C ASP B 337 7.751 -3.937 -13.800 1.00 44.23 C ATOM 2088 O ASP B 337 6.913 -3.621 -14.642 1.00 22.34 O ATOM 2089 CB ASP B 337 9.937 -3.527 -14.888 1.00 74.41 C ATOM 2090 CG ASP B 337 11.136 -4.066 -15.672 1.00 74.24 C ATOM 2091 OD1 ASP B 337 12.211 -4.311 -15.106 1.00 11.21 O ATOM 2092 OD2 ASP B 337 10.930 -4.234 -16.934 1.00 24.22 O ATOM 0 HA ASP B 337 9.596 -5.006 -13.363 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.314 -2.941 -15.564 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.301 -2.846 -14.119 1.00 74.41 H new ATOM 2098 N TRP B 338 7.613 -3.751 -12.495 1.00 31.21 N ATOM 2099 CA TRP B 338 6.414 -3.136 -11.950 1.00 33.50 C ATOM 2100 C TRP B 338 6.501 -1.629 -12.197 1.00 43.13 C ATOM 2101 O TRP B 338 7.147 -1.188 -13.147 1.00 24.04 O ATOM 2102 CB TRP B 338 6.241 -3.491 -10.472 1.00 13.13 C ATOM 2103 CG TRP B 338 6.577 -4.946 -10.137 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.813 -5.954 -10.987 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.707 -5.516 -8.818 1.00 60.44 C ATOM 2106 NE1 TRP B 338 7.085 -7.129 -10.315 1.00 24.21 N ATOM 2107 CE2 TRP B 338 7.017 -6.853 -8.954 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.565 -4.922 -7.552 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 7.213 -7.710 -7.864 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.764 -5.791 -6.472 1.00 42.51 C ATOM 2111 CH2 TRP B 338 7.077 -7.140 -6.592 1.00 22.23 C ATOM 0 H TRP B 338 8.311 -4.015 -11.800 1.00 31.21 H new ATOM 0 HA TRP B 338 5.523 -3.519 -12.448 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.875 -2.836 -9.875 1.00 13.13 H new ATOM 0 HB3 TRP B 338 5.210 -3.290 -10.179 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.793 -5.859 -12.063 1.00 63.32 H new ATOM 0 HE1 TRP B 338 7.297 -8.032 -10.739 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.322 -3.878 -7.422 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.456 -8.754 -7.997 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.668 -5.385 -5.476 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.215 -7.746 -5.708 1.00 22.23 H new ATOM 2122 N THR B 339 5.843 -0.880 -11.325 1.00 11.15 N ATOM 2123 CA THR B 339 5.839 0.569 -11.437 1.00 63.24 C ATOM 2124 C THR B 339 7.015 1.167 -10.663 1.00 75.25 C ATOM 2125 O THR B 339 7.678 0.470 -9.897 1.00 55.55 O ATOM 2126 CB THR B 339 4.476 1.075 -10.958 1.00 43.14 C ATOM 2127 OG1 THR B 339 3.616 0.866 -12.075 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.455 2.591 -10.751 1.00 73.05 C ATOM 0 H THR B 339 5.309 -1.249 -10.538 1.00 11.15 H new ATOM 0 HA THR B 339 5.976 0.887 -12.471 1.00 63.24 H new ATOM 0 HB THR B 339 4.211 0.577 -10.025 1.00 43.14 H new ATOM 0 HG1 THR B 339 2.872 0.285 -11.811 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.466 2.898 -10.411 1.00 73.05 H new ATOM 0 HG22 THR B 339 5.198 2.866 -10.002 1.00 73.05 H new ATOM 0 HG23 THR B 339 4.687 3.090 -11.692 1.00 73.05 H new ATOM 2136 N HIS B 340 7.238 2.453 -10.891 1.00 23.10 N ATOM 2137 CA HIS B 340 8.324 3.154 -10.225 1.00 53.35 C ATOM 2138 C HIS B 340 7.772 4.381 -9.498 1.00 55.35 C ATOM 2139 O HIS B 340 7.168 5.255 -10.117 1.00 75.31 O ATOM 2140 CB HIS B 340 9.435 3.502 -11.218 1.00 52.13 C ATOM 2141 CG HIS B 340 9.004 3.457 -12.664 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.255 2.374 -13.488 1.00 2.03 N ATOM 2143 CD2 HIS B 340 8.334 4.371 -13.423 1.00 35.32 C ATOM 2144 CE1 HIS B 340 8.757 2.636 -14.687 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.186 3.874 -14.644 1.00 32.50 N ATOM 0 H HIS B 340 6.686 3.028 -11.527 1.00 23.10 H new ATOM 0 HA HIS B 340 8.777 2.504 -9.476 1.00 53.35 H new ATOM 0 HB2 HIS B 340 9.810 4.500 -10.992 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.265 2.810 -11.076 1.00 52.13 H new ATOM 0 HD2 HIS B 340 7.983 5.336 -13.087 1.00 35.32 H new ATOM 0 HE1 HIS B 340 8.796 1.984 -15.547 1.00 52.42 H new ATOM 0 HE2 HIS B 340 7.721 4.341 -15.423 1.00 32.50 H new ATOM 2153 N LEU B 341 8.001 4.408 -8.193 1.00 42.45 N ATOM 2154 CA LEU B 341 7.535 5.515 -7.375 1.00 42.21 C ATOM 2155 C LEU B 341 8.692 6.486 -7.131 1.00 60.12 C ATOM 2156 O LEU B 341 9.665 6.143 -6.464 1.00 1.40 O ATOM 2157 CB LEU B 341 6.887 4.994 -6.089 1.00 45.14 C ATOM 2158 CG LEU B 341 5.645 4.119 -6.271 1.00 73.23 C ATOM 2159 CD1 LEU B 341 4.751 4.172 -5.031 1.00 65.35 C ATOM 2160 CD2 LEU B 341 4.886 4.501 -7.543 1.00 55.44 C ATOM 0 H LEU B 341 8.503 3.682 -7.682 1.00 42.45 H new ATOM 0 HA LEU B 341 6.756 6.072 -7.895 1.00 42.21 H new ATOM 0 HB2 LEU B 341 7.632 4.422 -5.536 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.617 5.849 -5.469 1.00 45.14 H new ATOM 0 HG LEU B 341 5.970 3.085 -6.389 1.00 73.23 H new ATOM 0 HD11 LEU B 341 3.875 3.542 -5.186 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.308 3.813 -4.165 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.432 5.199 -4.856 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.008 3.864 -7.648 1.00 55.44 H new ATOM 0 HD22 LEU B 341 4.573 5.543 -7.481 1.00 55.44 H new ATOM 0 HD23 LEU B 341 5.536 4.369 -8.408 1.00 55.44 H new ATOM 2172 N SER B 342 8.546 7.681 -7.685 1.00 53.43 N ATOM 2173 CA SER B 342 9.566 8.704 -7.537 1.00 62.22 C ATOM 2174 C SER B 342 9.040 9.844 -6.662 1.00 15.10 C ATOM 2175 O SER B 342 8.003 10.435 -6.961 1.00 21.54 O ATOM 2176 CB SER B 342 10.009 9.242 -8.898 1.00 33.03 C ATOM 2177 OG SER B 342 9.821 8.285 -9.938 1.00 21.10 O ATOM 0 H SER B 342 7.736 7.963 -8.237 1.00 53.43 H new ATOM 0 HA SER B 342 10.434 8.254 -7.055 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.446 10.146 -9.131 1.00 33.03 H new ATOM 0 HB3 SER B 342 11.061 9.525 -8.851 1.00 33.03 H new ATOM 0 HG SER B 342 10.114 8.667 -10.791 1.00 21.10 H new ATOM 2183 N SER B 343 9.779 10.120 -5.597 1.00 0.25 N ATOM 2184 CA SER B 343 9.401 11.178 -4.676 1.00 53.03 C ATOM 2185 C SER B 343 9.771 12.540 -5.266 1.00 5.52 C ATOM 2186 O SER B 343 9.546 13.574 -4.637 1.00 30.55 O ATOM 2187 CB SER B 343 10.071 10.989 -3.314 1.00 24.32 C ATOM 2188 OG SER B 343 11.304 10.282 -3.420 1.00 14.53 O ATOM 0 H SER B 343 10.638 9.628 -5.352 1.00 0.25 H new ATOM 0 HA SER B 343 8.322 11.134 -4.528 1.00 53.03 H new ATOM 0 HB2 SER B 343 10.250 11.963 -2.859 1.00 24.32 H new ATOM 0 HB3 SER B 343 9.398 10.446 -2.651 1.00 24.32 H new ATOM 0 HG SER B 343 12.033 10.844 -3.084 1.00 14.53 H new ATOM 2194 N LYS B 344 10.333 12.498 -6.465 1.00 41.31 N ATOM 2195 CA LYS B 344 10.735 13.717 -7.145 1.00 25.42 C ATOM 2196 C LYS B 344 9.618 14.162 -8.090 1.00 71.41 C ATOM 2197 O LYS B 344 9.550 15.330 -8.471 1.00 5.30 O ATOM 2198 CB LYS B 344 12.086 13.522 -7.839 1.00 31.02 C ATOM 2199 CG LYS B 344 12.155 12.159 -8.530 1.00 5.42 C ATOM 2200 CD LYS B 344 12.864 11.131 -7.645 1.00 64.43 C ATOM 2201 CE LYS B 344 14.333 11.502 -7.443 1.00 14.43 C ATOM 2202 NZ LYS B 344 15.086 10.356 -6.884 1.00 22.20 N ATOM 0 H LYS B 344 10.519 11.639 -6.983 1.00 41.31 H new ATOM 0 HA LYS B 344 10.884 14.523 -6.426 1.00 25.42 H new ATOM 0 HB2 LYS B 344 12.240 14.314 -8.572 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.890 13.604 -7.108 1.00 31.02 H new ATOM 0 HG2 LYS B 344 11.148 11.813 -8.760 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.684 12.254 -9.478 1.00 5.42 H new ATOM 0 HD2 LYS B 344 12.364 11.072 -6.678 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.794 10.143 -8.101 1.00 64.43 H new ATOM 0 HE2 LYS B 344 14.772 11.804 -8.394 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.409 12.357 -6.771 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 16.070 10.641 -6.706 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 14.646 10.054 -5.992 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 15.072 9.567 -7.562 1.00 22.20 H new ATOM 2215 N GLU B 345 8.769 13.208 -8.442 1.00 53.15 N ATOM 2216 CA GLU B 345 7.657 13.487 -9.335 1.00 4.44 C ATOM 2217 C GLU B 345 6.444 13.969 -8.538 1.00 23.22 C ATOM 2218 O GLU B 345 5.442 14.387 -9.117 1.00 21.12 O ATOM 2219 CB GLU B 345 7.307 12.258 -10.176 1.00 53.02 C ATOM 2220 CG GLU B 345 8.564 11.638 -10.789 1.00 14.22 C ATOM 2221 CD GLU B 345 8.808 12.174 -12.201 1.00 0.42 C ATOM 2222 OE1 GLU B 345 9.246 11.420 -13.084 1.00 61.52 O ATOM 2223 OE2 GLU B 345 8.523 13.421 -12.367 1.00 24.43 O ATOM 0 H GLU B 345 8.829 12.240 -8.125 1.00 53.15 H new ATOM 0 HA GLU B 345 7.957 14.281 -10.019 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.799 11.520 -9.555 1.00 53.02 H new ATOM 0 HB3 GLU B 345 6.613 12.540 -10.968 1.00 53.02 H new ATOM 0 HG2 GLU B 345 9.426 11.857 -10.159 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.460 10.553 -10.821 1.00 14.22 H new ATOM 2231 N VAL B 346 6.573 13.895 -7.222 1.00 4.42 N ATOM 2232 CA VAL B 346 5.500 14.319 -6.339 1.00 33.24 C ATOM 2233 C VAL B 346 5.522 15.844 -6.211 1.00 64.22 C ATOM 2234 O VAL B 346 6.332 16.512 -6.853 1.00 4.44 O ATOM 2235 CB VAL B 346 5.617 13.605 -4.991 1.00 73.12 C ATOM 2236 CG1 VAL B 346 5.404 12.098 -5.149 1.00 34.11 C ATOM 2237 CG2 VAL B 346 6.965 13.902 -4.329 1.00 13.23 C ATOM 0 H VAL B 346 7.405 13.547 -6.745 1.00 4.42 H new ATOM 0 HA VAL B 346 4.532 14.041 -6.756 1.00 33.24 H new ATOM 0 HB VAL B 346 4.832 13.988 -4.339 1.00 73.12 H new ATOM 0 HG11 VAL B 346 5.492 11.614 -4.176 1.00 34.11 H new ATOM 0 HG12 VAL B 346 4.411 11.912 -5.558 1.00 34.11 H new ATOM 0 HG13 VAL B 346 6.157 11.693 -5.825 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.023 13.383 -3.372 1.00 13.23 H new ATOM 0 HG22 VAL B 346 7.772 13.560 -4.977 1.00 13.23 H new ATOM 0 HG23 VAL B 346 7.061 14.975 -4.166 1.00 13.23 H new ATOM 2247 N ASP B 347 4.623 16.349 -5.379 1.00 64.45 N ATOM 2248 CA ASP B 347 4.530 17.783 -5.159 1.00 13.23 C ATOM 2249 C ASP B 347 5.531 18.194 -4.078 1.00 41.10 C ATOM 2250 O ASP B 347 6.404 19.026 -4.321 1.00 60.02 O ATOM 2251 CB ASP B 347 3.130 18.176 -4.682 1.00 11.14 C ATOM 2252 CG ASP B 347 2.780 19.654 -4.858 1.00 55.41 C ATOM 2253 OD1 ASP B 347 2.543 20.126 -5.980 1.00 44.22 O ATOM 2254 OD2 ASP B 347 2.754 20.342 -3.766 1.00 54.24 O ATOM 0 H ASP B 347 3.953 15.792 -4.849 1.00 64.45 H new ATOM 0 HA ASP B 347 4.744 18.285 -6.103 1.00 13.23 H new ATOM 0 HB2 ASP B 347 2.397 17.577 -5.222 1.00 11.14 H new ATOM 0 HB3 ASP B 347 3.036 17.919 -3.627 1.00 11.14 H new