USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1001 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 98 ASN : amide:sc= -0.0549 K(o=-0.055,f=-2.2!) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 75 SER OG : rot -95:sc= 1.03 USER MOD Set 2.2: A 80 LYS NZ :NH3+ 139:sc= 1.03 (180deg=-1.41!) USER MOD Set 3.1: A 55 CYS SG : rot 63:sc= -1.29 USER MOD Set 3.2: A 84 GLN : amide:sc= -0.121 K(o=-1.4,f=-2.6!) USER MOD Set 4.1: A 38 GLN :FLIP amide:sc= -0.537 F(o=-6.6!,f=-2) USER MOD Set 4.2: A 43 ASN :FLIP amide:sc= -1.43 F(o=-3.7!,f=-2) USER MOD Single : A 20 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.097) USER MOD Single : A 24 GLN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 27 THR OG1 : rot -82:sc= 1.16 USER MOD Single : A 28 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 29 GLN : amide:sc= -3.65 K(o=-3.6,f=-5.5!) USER MOD Single : A 30 CYS SG : rot 3:sc= -1.94 USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.644 (180deg=-1.24) USER MOD Single : A 45 GLN : amide:sc= -3.44! C(o=-3.4!,f=-3.1!) USER MOD Single : A 46 ASN : amide:sc= -0.0283 K(o=-0.028,f=-0.61) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= -0.0175 (180deg=-0.2) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0265 USER MOD Single : A 59 ASN : amide:sc= -7.81! C(o=-7.8!,f=-10!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -4.47! C(o=-4.5!,f=-8.3!) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= 0.42 (180deg=0.341) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0239) USER MOD Single : A 73 GLN : amide:sc= -0.755 K(o=-0.75,f=-4.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.2!) USER MOD Single : A 82 MET CE :methyl -123:sc= -0.341 (180deg=-2.84!) USER MOD Single : A 86 SER OG : rot -55:sc= 0.865 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.39) USER MOD Single : A 95 TYR OH : rot -90:sc= -0.305 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0631 K(o=-0.063,f=-1.7!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.689) USER MOD Single : A 113 ASN : amide:sc= -0.0577 K(o=-0.058,f=-0.88!) USER MOD Single : A 114 MET CE :methyl -133:sc= -0.228 (180deg=-1.2) USER MOD Single : A 116 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= -7.03! C(o=-8.1!,f=-7!) USER MOD Single : A 120 THR OG1 : rot 120:sc= -0.554 USER MOD Single : A 122 MET CE :methyl -128:sc= -2.76! (180deg=-7.09!) USER MOD Single : A 123 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.58) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.201 -3.151 -7.492 1.00 0.00 N ATOM 222 CA ASP A 17 -15.805 -3.692 -6.280 1.00 0.00 C ATOM 223 C ASP A 17 -14.796 -3.721 -5.136 1.00 0.00 C ATOM 224 O ASP A 17 -15.172 -3.780 -3.965 1.00 0.00 O ATOM 225 CB ASP A 17 -16.343 -5.101 -6.538 1.00 0.00 C ATOM 226 CG ASP A 17 -17.527 -5.104 -7.486 1.00 0.00 C ATOM 227 OD1 ASP A 17 -17.304 -5.063 -8.714 1.00 0.00 O ATOM 228 OD2 ASP A 17 -18.676 -5.149 -6.999 1.00 0.00 O ATOM 0 HA ASP A 17 -16.632 -3.042 -5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.548 -5.720 -6.953 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.638 -5.553 -5.591 1.00 0.00 H new ATOM 233 N LEU A 18 -13.515 -3.680 -5.484 1.00 0.00 N ATOM 234 CA LEU A 18 -12.451 -3.703 -4.486 1.00 0.00 C ATOM 235 C LEU A 18 -12.054 -2.287 -4.081 1.00 0.00 C ATOM 236 O LEU A 18 -11.749 -2.027 -2.917 1.00 0.00 O ATOM 237 CB LEU A 18 -11.231 -4.450 -5.029 1.00 0.00 C ATOM 238 CG LEU A 18 -11.386 -5.963 -5.184 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.317 -6.517 -6.113 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.320 -6.647 -3.826 1.00 0.00 C ATOM 0 H LEU A 18 -13.188 -3.631 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.825 -4.223 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.975 -4.029 -6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.387 -4.257 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.362 -6.166 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.443 -7.595 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.410 -6.050 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.331 -6.303 -5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.432 -7.724 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.358 -6.436 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.122 -6.272 -3.190 1.00 0.00 H new ATOM 252 N GLU A 19 -12.065 -1.375 -5.048 1.00 0.00 N ATOM 253 CA GLU A 19 -11.707 0.015 -4.790 1.00 0.00 C ATOM 254 C GLU A 19 -12.498 0.570 -3.609 1.00 0.00 C ATOM 255 O GLU A 19 -11.921 1.057 -2.637 1.00 0.00 O ATOM 256 CB GLU A 19 -11.961 0.869 -6.034 1.00 0.00 C ATOM 257 CG GLU A 19 -12.300 2.317 -5.720 1.00 0.00 C ATOM 258 CD GLU A 19 -13.788 2.539 -5.530 1.00 0.00 C ATOM 259 OE1 GLU A 19 -14.579 1.952 -6.297 1.00 0.00 O ATOM 260 OE2 GLU A 19 -14.161 3.301 -4.613 1.00 0.00 O ATOM 0 H GLU A 19 -12.318 -1.573 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.646 0.051 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.076 0.842 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.778 0.429 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.772 2.622 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.942 2.954 -6.529 1.00 0.00 H new ATOM 267 N GLN A 20 -13.822 0.493 -3.702 1.00 0.00 N ATOM 268 CA GLN A 20 -14.692 0.988 -2.642 1.00 0.00 C ATOM 269 C GLN A 20 -14.209 0.514 -1.275 1.00 0.00 C ATOM 270 O GLN A 20 -14.280 1.251 -0.291 1.00 0.00 O ATOM 271 CB GLN A 20 -16.131 0.526 -2.876 1.00 0.00 C ATOM 272 CG GLN A 20 -16.300 -0.984 -2.831 1.00 0.00 C ATOM 273 CD GLN A 20 -17.753 -1.406 -2.733 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.485 -0.953 -1.852 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.179 -2.278 -3.639 1.00 0.00 N ATOM 0 H GLN A 20 -14.315 0.093 -4.500 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.661 2.077 -2.660 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.776 0.978 -2.123 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.468 0.892 -3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.858 -1.422 -3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.752 -1.382 -1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.538 -2.627 -4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.147 -2.598 -3.623 1.00 0.00 H new ATOM 284 N ILE A 21 -13.720 -0.721 -1.222 1.00 0.00 N ATOM 285 CA ILE A 21 -13.225 -1.292 0.024 1.00 0.00 C ATOM 286 C ILE A 21 -11.898 -0.660 0.431 1.00 0.00 C ATOM 287 O ILE A 21 -11.720 -0.247 1.577 1.00 0.00 O ATOM 288 CB ILE A 21 -13.041 -2.817 -0.090 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.350 -3.480 -0.523 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.561 -3.394 1.234 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.225 -4.969 -0.758 1.00 0.00 C ATOM 0 H ILE A 21 -13.656 -1.344 -2.027 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.974 -1.080 0.787 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.285 -3.021 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.107 -3.303 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.703 -3.004 -1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.436 -4.472 1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.607 -2.941 1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.296 -3.183 2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.191 -5.372 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.492 -5.153 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.902 -5.457 0.162 1.00 0.00 H new ATOM 303 N LEU A 22 -10.970 -0.586 -0.516 1.00 0.00 N ATOM 304 CA LEU A 22 -9.658 -0.002 -0.259 1.00 0.00 C ATOM 305 C LEU A 22 -9.786 1.291 0.540 1.00 0.00 C ATOM 306 O LEU A 22 -9.174 1.442 1.598 1.00 0.00 O ATOM 307 CB LEU A 22 -8.930 0.268 -1.576 1.00 0.00 C ATOM 308 CG LEU A 22 -8.290 -0.946 -2.251 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.771 -0.577 -3.632 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.168 -1.505 -1.389 1.00 0.00 C ATOM 0 H LEU A 22 -11.102 -0.923 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.079 -0.715 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.638 0.715 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.152 1.009 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.051 -1.717 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.319 -1.453 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.597 -0.224 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.024 0.211 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.724 -2.368 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.406 -0.739 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.569 -1.808 -0.422 1.00 0.00 H new ATOM 322 N ILE A 23 -10.586 2.220 0.027 1.00 0.00 N ATOM 323 CA ILE A 23 -10.796 3.499 0.694 1.00 0.00 C ATOM 324 C ILE A 23 -11.291 3.299 2.122 1.00 0.00 C ATOM 325 O ILE A 23 -10.850 3.985 3.044 1.00 0.00 O ATOM 326 CB ILE A 23 -11.807 4.373 -0.071 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.350 4.574 -1.517 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.981 5.715 0.626 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.478 4.916 -2.465 1.00 0.00 C ATOM 0 H ILE A 23 -11.099 2.111 -0.848 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.832 4.007 0.714 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.770 3.863 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.607 5.371 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.858 3.665 -1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.699 6.322 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.347 5.554 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.022 6.232 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.081 5.044 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.211 4.109 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.956 5.841 -2.143 1.00 0.00 H new ATOM 341 N GLN A 24 -12.210 2.355 2.298 1.00 0.00 N ATOM 342 CA GLN A 24 -12.764 2.064 3.614 1.00 0.00 C ATOM 343 C GLN A 24 -11.677 1.583 4.569 1.00 0.00 C ATOM 344 O GLN A 24 -11.670 1.940 5.747 1.00 0.00 O ATOM 345 CB GLN A 24 -13.867 1.009 3.505 1.00 0.00 C ATOM 346 CG GLN A 24 -15.222 1.583 3.126 1.00 0.00 C ATOM 347 CD GLN A 24 -16.093 0.584 2.388 1.00 0.00 C ATOM 348 OE1 GLN A 24 -16.887 0.955 1.524 1.00 0.00 O ATOM 349 NE2 GLN A 24 -15.947 -0.692 2.726 1.00 0.00 N ATOM 0 H GLN A 24 -12.586 1.779 1.545 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.190 2.985 4.012 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.576 0.266 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.956 0.488 4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.738 1.913 4.028 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.077 2.464 2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.276 -0.955 3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -16.505 -1.409 2.263 1.00 0.00 H new ATOM 358 N TRP A 25 -10.760 0.772 4.053 1.00 0.00 N ATOM 359 CA TRP A 25 -9.667 0.242 4.861 1.00 0.00 C ATOM 360 C TRP A 25 -8.629 1.321 5.147 1.00 0.00 C ATOM 361 O TRP A 25 -8.348 1.633 6.305 1.00 0.00 O ATOM 362 CB TRP A 25 -9.009 -0.941 4.151 1.00 0.00 C ATOM 363 CG TRP A 25 -7.764 -1.425 4.832 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.637 -1.796 6.140 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.471 -1.587 4.239 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.342 -2.179 6.396 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.608 -2.061 5.246 1.00 0.00 C ATOM 368 CE3 TRP A 25 -5.959 -1.381 2.955 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.262 -2.330 5.007 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.624 -1.647 2.720 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.788 -2.118 3.741 1.00 0.00 C ATOM 0 H TRP A 25 -10.751 0.467 3.080 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.081 -0.098 5.810 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.724 -1.762 4.090 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.766 -0.653 3.128 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.436 -1.789 6.866 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -5.986 -2.499 7.296 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.596 -1.020 2.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.616 -2.693 5.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.218 -1.489 1.732 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.749 -2.318 3.524 1.00 0.00 H new ATOM 382 N ILE A 26 -8.063 1.888 4.087 1.00 0.00 N ATOM 383 CA ILE A 26 -7.056 2.933 4.226 1.00 0.00 C ATOM 384 C ILE A 26 -7.458 3.944 5.294 1.00 0.00 C ATOM 385 O ILE A 26 -6.649 4.326 6.140 1.00 0.00 O ATOM 386 CB ILE A 26 -6.826 3.673 2.895 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.346 2.696 1.820 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.820 4.799 3.082 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.604 3.176 0.409 1.00 0.00 C ATOM 0 H ILE A 26 -8.285 1.641 3.122 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.130 2.442 4.524 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.771 4.107 2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.277 2.525 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.842 1.736 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.668 5.313 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.198 5.506 3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.872 4.386 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.238 2.434 -0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.675 3.320 0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.085 4.121 0.246 1.00 0.00 H new ATOM 401 N THR A 27 -8.715 4.375 5.250 1.00 0.00 N ATOM 402 CA THR A 27 -9.226 5.342 6.214 1.00 0.00 C ATOM 403 C THR A 27 -9.225 4.765 7.625 1.00 0.00 C ATOM 404 O THR A 27 -8.982 5.478 8.599 1.00 0.00 O ATOM 405 CB THR A 27 -10.655 5.791 5.856 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.486 4.647 5.633 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.651 6.671 4.615 1.00 0.00 C ATOM 0 H THR A 27 -9.398 4.069 4.557 1.00 0.00 H new ATOM 0 HA THR A 27 -8.562 6.206 6.177 1.00 0.00 H new ATOM 0 HB THR A 27 -11.050 6.370 6.691 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.358 4.323 4.717 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.671 6.976 4.382 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.041 7.556 4.798 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.238 6.113 3.775 1.00 0.00 H new ATOM 415 N THR A 28 -9.497 3.468 7.729 1.00 0.00 N ATOM 416 CA THR A 28 -9.528 2.794 9.021 1.00 0.00 C ATOM 417 C THR A 28 -8.119 2.565 9.555 1.00 0.00 C ATOM 418 O THR A 28 -7.763 3.061 10.624 1.00 0.00 O ATOM 419 CB THR A 28 -10.257 1.440 8.932 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.556 1.621 8.356 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.391 0.806 10.308 1.00 0.00 C ATOM 0 H THR A 28 -9.699 2.863 6.933 1.00 0.00 H new ATOM 0 HA THR A 28 -10.072 3.446 9.704 1.00 0.00 H new ATOM 0 HB THR A 28 -9.668 0.776 8.299 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.478 1.666 7.380 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.909 -0.149 10.220 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.400 0.644 10.732 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.960 1.469 10.960 1.00 0.00 H new ATOM 429 N GLN A 29 -7.322 1.811 8.805 1.00 0.00 N ATOM 430 CA GLN A 29 -5.951 1.516 9.205 1.00 0.00 C ATOM 431 C GLN A 29 -5.270 2.759 9.769 1.00 0.00 C ATOM 432 O GLN A 29 -4.766 2.746 10.893 1.00 0.00 O ATOM 433 CB GLN A 29 -5.154 0.979 8.015 1.00 0.00 C ATOM 434 CG GLN A 29 -3.762 0.493 8.384 1.00 0.00 C ATOM 435 CD GLN A 29 -3.726 -0.211 9.727 1.00 0.00 C ATOM 436 OE1 GLN A 29 -3.879 0.418 10.774 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.523 -1.523 9.702 1.00 0.00 N ATOM 0 H GLN A 29 -7.602 1.393 7.917 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.982 0.755 9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.707 0.158 7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.068 1.763 7.262 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.402 -0.187 7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.079 1.342 8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.401 -2.003 8.810 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.489 -2.050 10.574 1.00 0.00 H new ATOM 446 N CYS A 30 -5.258 3.829 8.982 1.00 0.00 N ATOM 447 CA CYS A 30 -4.637 5.080 9.403 1.00 0.00 C ATOM 448 C CYS A 30 -5.261 5.588 10.698 1.00 0.00 C ATOM 449 O CYS A 30 -6.483 5.679 10.817 1.00 0.00 O ATOM 450 CB CYS A 30 -4.777 6.137 8.306 1.00 0.00 C ATOM 451 SG CYS A 30 -6.488 6.553 7.896 1.00 0.00 S ATOM 0 H CYS A 30 -5.671 3.856 8.050 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.579 4.890 9.582 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.260 7.043 8.621 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.276 5.780 7.406 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.293 5.900 8.680 1.00 0.00 H new ATOM 457 N ARG A 31 -4.413 5.917 11.668 1.00 0.00 N ATOM 458 CA ARG A 31 -4.882 6.414 12.956 1.00 0.00 C ATOM 459 C ARG A 31 -5.002 7.935 12.942 1.00 0.00 C ATOM 460 O ARG A 31 -4.924 8.585 13.985 1.00 0.00 O ATOM 461 CB ARG A 31 -3.931 5.977 14.072 1.00 0.00 C ATOM 462 CG ARG A 31 -4.019 4.496 14.403 1.00 0.00 C ATOM 463 CD ARG A 31 -5.326 4.160 15.104 1.00 0.00 C ATOM 464 NE ARG A 31 -5.235 4.344 16.550 1.00 0.00 N ATOM 465 CZ ARG A 31 -5.513 5.489 17.163 1.00 0.00 C ATOM 466 NH1 ARG A 31 -5.899 6.545 16.461 1.00 0.00 N ATOM 467 NH2 ARG A 31 -5.407 5.579 18.483 1.00 0.00 N ATOM 0 H ARG A 31 -3.399 5.848 11.586 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.869 5.991 13.142 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.908 6.215 13.780 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.149 6.555 14.970 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.935 3.911 13.487 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.180 4.214 15.039 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.122 4.790 14.708 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.599 3.127 14.887 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.942 3.550 17.120 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.983 6.480 15.447 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.112 7.423 16.935 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.112 4.768 19.027 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.621 6.459 18.953 1.00 0.00 H new ATOM 481 N LYS A 32 -5.191 8.497 11.753 1.00 0.00 N ATOM 482 CA LYS A 32 -5.322 9.941 11.601 1.00 0.00 C ATOM 483 C LYS A 32 -6.150 10.285 10.367 1.00 0.00 C ATOM 484 O LYS A 32 -6.195 9.518 9.405 1.00 0.00 O ATOM 485 CB LYS A 32 -3.941 10.592 11.500 1.00 0.00 C ATOM 486 CG LYS A 32 -3.422 10.701 10.077 1.00 0.00 C ATOM 487 CD LYS A 32 -3.835 12.013 9.432 1.00 0.00 C ATOM 488 CE LYS A 32 -2.805 13.105 9.681 1.00 0.00 C ATOM 489 NZ LYS A 32 -2.836 13.584 11.091 1.00 0.00 N ATOM 0 H LYS A 32 -5.257 7.974 10.880 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.835 10.329 12.481 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.986 11.589 11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.232 10.014 12.093 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.335 10.621 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.802 9.868 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.961 11.868 8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.801 12.326 9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.810 12.726 9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.993 13.942 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.468 14.556 11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.815 13.568 11.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.247 12.963 11.682 1.00 0.00 H new ATOM 503 N ASP A 33 -6.800 11.443 10.400 1.00 0.00 N ATOM 504 CA ASP A 33 -7.623 11.890 9.283 1.00 0.00 C ATOM 505 C ASP A 33 -6.754 12.349 8.116 1.00 0.00 C ATOM 506 O ASP A 33 -6.329 13.503 8.061 1.00 0.00 O ATOM 507 CB ASP A 33 -8.547 13.027 9.724 1.00 0.00 C ATOM 508 CG ASP A 33 -8.992 12.884 11.166 1.00 0.00 C ATOM 509 OD1 ASP A 33 -8.162 13.116 12.070 1.00 0.00 O ATOM 510 OD2 ASP A 33 -10.171 12.540 11.392 1.00 0.00 O ATOM 0 H ASP A 33 -6.773 12.089 11.189 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.229 11.047 8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.032 13.979 9.598 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.424 13.051 9.077 1.00 0.00 H new ATOM 515 N VAL A 34 -6.492 11.437 7.185 1.00 0.00 N ATOM 516 CA VAL A 34 -5.673 11.747 6.020 1.00 0.00 C ATOM 517 C VAL A 34 -6.420 12.653 5.048 1.00 0.00 C ATOM 518 O VAL A 34 -5.813 13.318 4.210 1.00 0.00 O ATOM 519 CB VAL A 34 -5.240 10.467 5.281 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.156 9.740 6.062 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.437 9.559 5.043 1.00 0.00 C ATOM 0 H VAL A 34 -6.836 10.477 7.215 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.786 12.264 6.386 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.828 10.749 4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.863 8.838 5.524 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.290 10.392 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.537 9.468 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.113 8.659 4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.880 9.283 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.177 10.083 4.439 1.00 0.00 H new ATOM 531 N GLY A 35 -7.745 12.675 5.168 1.00 0.00 N ATOM 532 CA GLY A 35 -8.554 13.504 4.294 1.00 0.00 C ATOM 533 C GLY A 35 -9.491 12.688 3.425 1.00 0.00 C ATOM 534 O GLY A 35 -9.679 12.993 2.247 1.00 0.00 O ATOM 0 H GLY A 35 -8.271 12.134 5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.137 14.201 4.896 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.901 14.101 3.658 1.00 0.00 H new ATOM 538 N ARG A 36 -10.078 11.647 4.006 1.00 0.00 N ATOM 539 CA ARG A 36 -10.998 10.783 3.276 1.00 0.00 C ATOM 540 C ARG A 36 -11.769 11.575 2.225 1.00 0.00 C ATOM 541 O ARG A 36 -12.789 12.203 2.510 1.00 0.00 O ATOM 542 CB ARG A 36 -11.975 10.110 4.242 1.00 0.00 C ATOM 543 CG ARG A 36 -12.814 9.019 3.598 1.00 0.00 C ATOM 544 CD ARG A 36 -13.987 8.624 4.481 1.00 0.00 C ATOM 545 NE ARG A 36 -15.032 9.645 4.494 1.00 0.00 N ATOM 546 CZ ARG A 36 -15.778 9.945 3.437 1.00 0.00 C ATOM 547 NH1 ARG A 36 -15.596 9.306 2.290 1.00 0.00 N ATOM 548 NH2 ARG A 36 -16.709 10.887 3.527 1.00 0.00 N ATOM 0 H ARG A 36 -9.933 11.381 4.980 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.412 10.016 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.414 9.682 5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.638 10.867 4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.184 9.365 2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.191 8.145 3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.406 7.682 4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.634 8.454 5.498 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.198 10.155 5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.881 8.582 2.218 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.170 9.539 1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.852 11.381 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.282 11.117 2.715 1.00 0.00 H new ATOM 562 N PRO A 37 -11.272 11.547 0.979 1.00 0.00 N ATOM 563 CA PRO A 37 -11.899 12.257 -0.139 1.00 0.00 C ATOM 564 C PRO A 37 -13.228 11.632 -0.551 1.00 0.00 C ATOM 565 O PRO A 37 -13.769 10.783 0.156 1.00 0.00 O ATOM 566 CB PRO A 37 -10.872 12.119 -1.266 1.00 0.00 C ATOM 567 CG PRO A 37 -10.108 10.885 -0.934 1.00 0.00 C ATOM 568 CD PRO A 37 -10.060 10.819 0.568 1.00 0.00 C ATOM 0 HA PRO A 37 -12.138 13.290 0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.359 12.033 -2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.217 12.989 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.594 10.002 -1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.103 10.923 -1.355 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.069 9.789 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.157 11.286 0.962 1.00 0.00 H new ATOM 576 N GLN A 38 -13.747 12.058 -1.698 1.00 0.00 N ATOM 577 CA GLN A 38 -15.013 11.540 -2.202 1.00 0.00 C ATOM 578 C GLN A 38 -14.811 10.207 -2.915 1.00 0.00 C ATOM 579 O GLN A 38 -13.767 9.949 -3.515 1.00 0.00 O ATOM 580 CB GLN A 38 -15.659 12.549 -3.154 1.00 0.00 C ATOM 581 CG GLN A 38 -14.833 12.823 -4.400 1.00 0.00 C ATOM 582 CD GLN A 38 -15.465 13.866 -5.300 1.00 0.00 C ATOM 583 OE1 GLN A 38 -15.137 13.816 -6.586 1.00 0.00 O flip ATOM 584 NE2 GLN A 38 -16.239 14.709 -4.846 1.00 0.00 N flip ATOM 0 H GLN A 38 -13.310 12.760 -2.295 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.675 11.379 -1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.640 12.178 -3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.821 13.486 -2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.838 13.157 -4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.706 11.896 -4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -16.464 14.712 -3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -16.655 15.405 -5.465 1.00 0.00 H new ATOM 593 N PRO A 39 -15.831 9.339 -2.849 1.00 0.00 N ATOM 594 CA PRO A 39 -15.788 8.018 -3.484 1.00 0.00 C ATOM 595 C PRO A 39 -15.831 8.104 -5.005 1.00 0.00 C ATOM 596 O PRO A 39 -16.895 8.287 -5.597 1.00 0.00 O ATOM 597 CB PRO A 39 -17.047 7.329 -2.951 1.00 0.00 C ATOM 598 CG PRO A 39 -17.975 8.443 -2.611 1.00 0.00 C ATOM 599 CD PRO A 39 -17.105 9.580 -2.151 1.00 0.00 C ATOM 0 HA PRO A 39 -14.865 7.486 -3.256 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.482 6.666 -3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.824 6.719 -2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.571 8.733 -3.477 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.673 8.145 -1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.533 10.546 -2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.977 9.576 -1.069 1.00 0.00 H new ATOM 607 N GLY A 40 -14.668 7.971 -5.635 1.00 0.00 N ATOM 608 CA GLY A 40 -14.595 8.036 -7.082 1.00 0.00 C ATOM 609 C GLY A 40 -13.334 7.398 -7.629 1.00 0.00 C ATOM 610 O GLY A 40 -12.628 6.689 -6.912 1.00 0.00 O ATOM 0 H GLY A 40 -13.774 7.819 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.465 7.538 -7.509 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.638 9.078 -7.398 1.00 0.00 H new ATOM 614 N ARG A 41 -13.050 7.648 -8.903 1.00 0.00 N ATOM 615 CA ARG A 41 -11.867 7.090 -9.546 1.00 0.00 C ATOM 616 C ARG A 41 -10.754 8.131 -9.634 1.00 0.00 C ATOM 617 O ARG A 41 -9.649 7.914 -9.138 1.00 0.00 O ATOM 618 CB ARG A 41 -12.213 6.580 -10.946 1.00 0.00 C ATOM 619 CG ARG A 41 -13.027 5.297 -10.942 1.00 0.00 C ATOM 620 CD ARG A 41 -14.499 5.571 -10.677 1.00 0.00 C ATOM 621 NE ARG A 41 -15.225 4.358 -10.310 1.00 0.00 N ATOM 622 CZ ARG A 41 -16.543 4.308 -10.156 1.00 0.00 C ATOM 623 NH1 ARG A 41 -17.277 5.398 -10.337 1.00 0.00 N ATOM 624 NH2 ARG A 41 -17.131 3.167 -9.821 1.00 0.00 N ATOM 0 H ARG A 41 -13.623 8.234 -9.510 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.515 6.256 -8.939 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.770 7.352 -11.478 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.290 6.413 -11.501 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.917 4.792 -11.902 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.639 4.621 -10.180 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.593 6.305 -9.877 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.952 6.009 -11.566 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.690 3.502 -10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.829 6.277 -10.595 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.289 5.357 -10.218 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.571 2.326 -9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.144 3.130 -9.703 1.00 0.00 H new ATOM 638 N GLU A 42 -11.055 9.260 -10.268 1.00 0.00 N ATOM 639 CA GLU A 42 -10.079 10.333 -10.421 1.00 0.00 C ATOM 640 C GLU A 42 -9.611 10.840 -9.061 1.00 0.00 C ATOM 641 O GLU A 42 -8.496 11.341 -8.924 1.00 0.00 O ATOM 642 CB GLU A 42 -10.678 11.485 -11.229 1.00 0.00 C ATOM 643 CG GLU A 42 -11.918 12.094 -10.595 1.00 0.00 C ATOM 644 CD GLU A 42 -12.682 12.989 -11.550 1.00 0.00 C ATOM 645 OE1 GLU A 42 -12.088 13.967 -12.050 1.00 0.00 O ATOM 646 OE2 GLU A 42 -13.875 12.713 -11.798 1.00 0.00 O ATOM 0 H GLU A 42 -11.966 9.455 -10.684 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.218 9.933 -10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.924 12.262 -11.351 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.930 11.125 -12.227 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.574 11.295 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.627 12.671 -9.717 1.00 0.00 H new ATOM 653 N ASN A 43 -10.472 10.707 -8.057 1.00 0.00 N ATOM 654 CA ASN A 43 -10.148 11.153 -6.707 1.00 0.00 C ATOM 655 C ASN A 43 -9.108 10.238 -6.067 1.00 0.00 C ATOM 656 O ASN A 43 -8.089 10.702 -5.554 1.00 0.00 O ATOM 657 CB ASN A 43 -11.410 11.191 -5.843 1.00 0.00 C ATOM 658 CG ASN A 43 -12.453 12.150 -6.386 1.00 0.00 C ATOM 659 OD1 ASN A 43 -12.425 13.387 -5.905 1.00 0.00 O flip ATOM 660 ND2 ASN A 43 -13.273 11.781 -7.226 1.00 0.00 N flip ATOM 0 H ASN A 43 -11.400 10.294 -8.153 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.731 12.158 -6.774 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.837 10.190 -5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.143 11.485 -4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.257 10.820 -7.567 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.969 12.436 -7.581 1.00 0.00 H new ATOM 667 N PHE A 44 -9.371 8.936 -6.103 1.00 0.00 N ATOM 668 CA PHE A 44 -8.459 7.956 -5.526 1.00 0.00 C ATOM 669 C PHE A 44 -7.020 8.238 -5.948 1.00 0.00 C ATOM 670 O PHE A 44 -6.107 8.228 -5.122 1.00 0.00 O ATOM 671 CB PHE A 44 -8.859 6.542 -5.953 1.00 0.00 C ATOM 672 CG PHE A 44 -8.174 5.461 -5.166 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.627 5.111 -3.905 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.076 4.796 -5.689 1.00 0.00 C ATOM 675 CE1 PHE A 44 -7.998 4.117 -3.178 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.444 3.801 -4.967 1.00 0.00 C ATOM 677 CZ PHE A 44 -6.905 3.462 -3.710 1.00 0.00 C ATOM 0 H PHE A 44 -10.208 8.535 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.523 8.032 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.938 6.430 -5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.629 6.412 -7.010 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.481 5.620 -3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.710 5.058 -6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.361 3.853 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.590 3.289 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.411 2.686 -3.144 1.00 0.00 H new ATOM 687 N GLN A 45 -6.826 8.488 -7.239 1.00 0.00 N ATOM 688 CA GLN A 45 -5.498 8.772 -7.770 1.00 0.00 C ATOM 689 C GLN A 45 -4.854 9.939 -7.030 1.00 0.00 C ATOM 690 O GLN A 45 -3.700 9.859 -6.610 1.00 0.00 O ATOM 691 CB GLN A 45 -5.581 9.084 -9.266 1.00 0.00 C ATOM 692 CG GLN A 45 -4.273 8.858 -10.007 1.00 0.00 C ATOM 693 CD GLN A 45 -4.110 9.783 -11.197 1.00 0.00 C ATOM 694 OE1 GLN A 45 -4.966 9.833 -12.081 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.007 10.521 -11.226 1.00 0.00 N ATOM 0 H GLN A 45 -7.571 8.500 -7.936 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.878 7.887 -7.624 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.356 8.463 -9.716 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.888 10.122 -9.396 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.440 9.006 -9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.226 7.823 -10.347 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.324 10.447 -10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.842 11.162 -12.002 1.00 0.00 H new ATOM 704 N ASN A 46 -5.606 11.024 -6.875 1.00 0.00 N ATOM 705 CA ASN A 46 -5.107 12.209 -6.187 1.00 0.00 C ATOM 706 C ASN A 46 -4.894 11.926 -4.703 1.00 0.00 C ATOM 707 O ASN A 46 -4.021 12.517 -4.067 1.00 0.00 O ATOM 708 CB ASN A 46 -6.084 13.374 -6.360 1.00 0.00 C ATOM 709 CG ASN A 46 -5.970 14.025 -7.725 1.00 0.00 C ATOM 710 OD1 ASN A 46 -4.869 14.231 -8.237 1.00 0.00 O ATOM 711 ND2 ASN A 46 -7.110 14.354 -8.320 1.00 0.00 N ATOM 0 H ASN A 46 -6.563 11.107 -7.217 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.148 12.479 -6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.103 13.015 -6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.896 14.120 -5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.096 14.796 -9.239 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.000 14.164 -7.858 1.00 0.00 H new ATOM 718 N TRP A 47 -5.696 11.019 -4.158 1.00 0.00 N ATOM 719 CA TRP A 47 -5.595 10.657 -2.749 1.00 0.00 C ATOM 720 C TRP A 47 -4.242 10.022 -2.446 1.00 0.00 C ATOM 721 O TRP A 47 -3.625 10.313 -1.420 1.00 0.00 O ATOM 722 CB TRP A 47 -6.721 9.695 -2.366 1.00 0.00 C ATOM 723 CG TRP A 47 -6.983 9.643 -0.891 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.862 10.672 -0.001 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.407 8.504 -0.135 1.00 0.00 C ATOM 726 NE1 TRP A 47 -7.186 10.241 1.263 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.524 8.915 1.207 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.700 7.177 -0.461 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.921 8.045 2.220 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -8.094 6.315 0.544 1.00 0.00 C ATOM 731 CH2 TRP A 47 -8.203 6.752 1.872 1.00 0.00 C ATOM 0 H TRP A 47 -6.424 10.521 -4.670 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.689 11.568 -2.158 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.635 9.994 -2.880 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.470 8.695 -2.719 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.557 11.677 -0.254 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.176 10.815 2.106 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.620 6.831 -1.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -8.003 8.379 3.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -8.322 5.287 0.303 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.516 6.054 2.635 1.00 0.00 H new ATOM 742 N LEU A 48 -3.787 9.154 -3.342 1.00 0.00 N ATOM 743 CA LEU A 48 -2.506 8.478 -3.170 1.00 0.00 C ATOM 744 C LEU A 48 -1.400 9.207 -3.927 1.00 0.00 C ATOM 745 O LEU A 48 -0.216 9.045 -3.627 1.00 0.00 O ATOM 746 CB LEU A 48 -2.602 7.030 -3.655 1.00 0.00 C ATOM 747 CG LEU A 48 -3.943 6.332 -3.423 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.871 4.879 -3.863 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.348 6.429 -1.959 1.00 0.00 C ATOM 0 H LEU A 48 -4.286 8.902 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.260 8.484 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.385 7.010 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.823 6.450 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.702 6.834 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.834 4.398 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.627 4.832 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.100 4.363 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.304 5.927 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.589 5.952 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.441 7.477 -1.676 1.00 0.00 H new ATOM 761 N LYS A 49 -1.792 10.011 -4.908 1.00 0.00 N ATOM 762 CA LYS A 49 -0.836 10.769 -5.707 1.00 0.00 C ATOM 763 C LYS A 49 0.168 11.490 -4.813 1.00 0.00 C ATOM 764 O LYS A 49 1.376 11.420 -5.037 1.00 0.00 O ATOM 765 CB LYS A 49 -1.567 11.781 -6.591 1.00 0.00 C ATOM 766 CG LYS A 49 -0.636 12.733 -7.322 1.00 0.00 C ATOM 767 CD LYS A 49 -0.380 13.994 -6.513 1.00 0.00 C ATOM 768 CE LYS A 49 0.651 14.888 -7.185 1.00 0.00 C ATOM 769 NZ LYS A 49 0.239 15.269 -8.564 1.00 0.00 N ATOM 0 H LYS A 49 -2.767 10.155 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.294 10.068 -6.341 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.171 11.243 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.254 12.360 -5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.310 12.232 -7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.070 13.000 -8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.313 14.543 -6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.034 13.724 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.796 15.788 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.610 14.372 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.876 16.008 -8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.289 14.436 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.736 15.630 -8.548 1.00 0.00 H new ATOM 783 N ASP A 50 -0.340 12.183 -3.799 1.00 0.00 N ATOM 784 CA ASP A 50 0.512 12.915 -2.870 1.00 0.00 C ATOM 785 C ASP A 50 1.464 11.969 -2.145 1.00 0.00 C ATOM 786 O ASP A 50 2.596 12.333 -1.829 1.00 0.00 O ATOM 787 CB ASP A 50 -0.341 13.677 -1.855 1.00 0.00 C ATOM 788 CG ASP A 50 0.437 14.772 -1.151 1.00 0.00 C ATOM 789 OD1 ASP A 50 1.529 14.477 -0.623 1.00 0.00 O ATOM 790 OD2 ASP A 50 -0.048 15.923 -1.127 1.00 0.00 O ATOM 0 H ASP A 50 -1.338 12.253 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 50 1.104 13.628 -3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.200 14.115 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.730 12.978 -1.115 1.00 0.00 H new ATOM 795 N GLY A 51 0.997 10.752 -1.884 1.00 0.00 N ATOM 796 CA GLY A 51 1.819 9.773 -1.197 1.00 0.00 C ATOM 797 C GLY A 51 1.519 9.704 0.288 1.00 0.00 C ATOM 798 O GLY A 51 1.539 8.627 0.884 1.00 0.00 O ATOM 0 H GLY A 51 0.064 10.426 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.659 8.791 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.871 10.021 -1.341 1.00 0.00 H new ATOM 802 N THR A 52 1.242 10.857 0.889 1.00 0.00 N ATOM 803 CA THR A 52 0.941 10.924 2.313 1.00 0.00 C ATOM 804 C THR A 52 0.074 9.747 2.747 1.00 0.00 C ATOM 805 O THR A 52 0.439 8.994 3.649 1.00 0.00 O ATOM 806 CB THR A 52 0.222 12.237 2.674 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.875 12.458 1.780 1.00 0.00 O ATOM 808 CG2 THR A 52 1.182 13.416 2.607 1.00 0.00 C ATOM 0 H THR A 52 1.220 11.758 0.411 1.00 0.00 H new ATOM 0 HA THR A 52 1.894 10.884 2.840 1.00 0.00 H new ATOM 0 HB THR A 52 -0.153 12.151 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.328 13.294 2.018 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.652 14.332 2.866 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.000 13.259 3.310 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.583 13.502 1.597 1.00 0.00 H new ATOM 816 N VAL A 53 -1.077 9.595 2.098 1.00 0.00 N ATOM 817 CA VAL A 53 -1.996 8.509 2.416 1.00 0.00 C ATOM 818 C VAL A 53 -1.291 7.158 2.356 1.00 0.00 C ATOM 819 O VAL A 53 -1.507 6.294 3.207 1.00 0.00 O ATOM 820 CB VAL A 53 -3.199 8.492 1.455 1.00 0.00 C ATOM 821 CG1 VAL A 53 -4.061 7.262 1.700 1.00 0.00 C ATOM 822 CG2 VAL A 53 -4.017 9.765 1.603 1.00 0.00 C ATOM 0 H VAL A 53 -1.394 10.210 1.349 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.354 8.684 3.430 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.824 8.446 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.906 7.267 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.466 6.363 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.429 7.274 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.863 9.736 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.383 9.845 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.392 10.628 1.372 1.00 0.00 H new ATOM 832 N LEU A 54 -0.448 6.982 1.345 1.00 0.00 N ATOM 833 CA LEU A 54 0.290 5.735 1.172 1.00 0.00 C ATOM 834 C LEU A 54 1.242 5.500 2.341 1.00 0.00 C ATOM 835 O LEU A 54 1.450 4.363 2.766 1.00 0.00 O ATOM 836 CB LEU A 54 1.073 5.760 -0.141 1.00 0.00 C ATOM 837 CG LEU A 54 0.254 5.547 -1.415 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.054 5.963 -2.640 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.185 4.095 -1.530 1.00 0.00 C ATOM 0 H LEU A 54 -0.258 7.687 0.632 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.429 4.917 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.584 6.720 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.844 4.991 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.637 6.172 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.455 5.804 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.317 7.018 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.964 5.365 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.767 3.962 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.694 3.451 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.797 3.831 -0.668 1.00 0.00 H new ATOM 851 N CYS A 55 1.816 6.582 2.856 1.00 0.00 N ATOM 852 CA CYS A 55 2.745 6.494 3.977 1.00 0.00 C ATOM 853 C CYS A 55 2.020 6.081 5.253 1.00 0.00 C ATOM 854 O CYS A 55 2.395 5.106 5.903 1.00 0.00 O ATOM 855 CB CYS A 55 3.451 7.834 4.187 1.00 0.00 C ATOM 856 SG CYS A 55 4.375 8.417 2.746 1.00 0.00 S ATOM 0 H CYS A 55 1.654 7.530 2.515 1.00 0.00 H new ATOM 0 HA CYS A 55 3.489 5.733 3.742 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.709 8.585 4.457 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.135 7.744 5.031 1.00 0.00 H new ATOM 0 HG CYS A 55 3.555 8.619 1.757 1.00 0.00 H new ATOM 862 N GLU A 56 0.981 6.831 5.607 1.00 0.00 N ATOM 863 CA GLU A 56 0.205 6.543 6.807 1.00 0.00 C ATOM 864 C GLU A 56 -0.233 5.082 6.835 1.00 0.00 C ATOM 865 O GLU A 56 -0.355 4.479 7.902 1.00 0.00 O ATOM 866 CB GLU A 56 -1.021 7.456 6.880 1.00 0.00 C ATOM 867 CG GLU A 56 -0.678 8.918 7.112 1.00 0.00 C ATOM 868 CD GLU A 56 -0.428 9.234 8.574 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.773 8.392 9.430 1.00 0.00 O ATOM 870 OE2 GLU A 56 0.112 10.323 8.863 1.00 0.00 O ATOM 0 H GLU A 56 0.658 7.642 5.080 1.00 0.00 H new ATOM 0 HA GLU A 56 0.841 6.730 7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.586 7.367 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.672 7.112 7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.208 9.176 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.493 9.541 6.744 1.00 0.00 H new ATOM 877 N LEU A 57 -0.469 4.519 5.655 1.00 0.00 N ATOM 878 CA LEU A 57 -0.895 3.128 5.543 1.00 0.00 C ATOM 879 C LEU A 57 0.196 2.183 6.037 1.00 0.00 C ATOM 880 O LEU A 57 0.089 1.609 7.120 1.00 0.00 O ATOM 881 CB LEU A 57 -1.252 2.799 4.092 1.00 0.00 C ATOM 882 CG LEU A 57 -1.799 1.394 3.837 1.00 0.00 C ATOM 883 CD1 LEU A 57 -3.087 1.174 4.615 1.00 0.00 C ATOM 884 CD2 LEU A 57 -2.028 1.173 2.349 1.00 0.00 C ATOM 0 H LEU A 57 -0.373 5.004 4.763 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.778 2.992 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.991 3.523 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.361 2.937 3.479 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.062 0.669 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.462 0.169 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.892 1.290 5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.831 1.906 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.417 0.168 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.746 1.905 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.085 1.288 1.815 1.00 0.00 H new ATOM 896 N ILE A 58 1.245 2.029 5.236 1.00 0.00 N ATOM 897 CA ILE A 58 2.357 1.157 5.594 1.00 0.00 C ATOM 898 C ILE A 58 2.819 1.414 7.024 1.00 0.00 C ATOM 899 O ILE A 58 3.190 0.488 7.743 1.00 0.00 O ATOM 900 CB ILE A 58 3.550 1.345 4.639 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.667 0.357 4.981 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.062 2.776 4.707 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.370 -1.063 4.551 1.00 0.00 C ATOM 0 H ILE A 58 1.348 2.496 4.335 1.00 0.00 H new ATOM 0 HA ILE A 58 1.994 0.133 5.511 1.00 0.00 H new ATOM 0 HB ILE A 58 3.216 1.147 3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.591 0.686 4.505 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.839 0.374 6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.905 2.893 4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.265 3.462 4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.383 3.000 5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.205 -1.708 4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.464 -1.411 5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.227 -1.094 3.471 1.00 0.00 H new ATOM 915 N ASN A 59 2.792 2.679 7.430 1.00 0.00 N ATOM 916 CA ASN A 59 3.207 3.059 8.776 1.00 0.00 C ATOM 917 C ASN A 59 2.252 2.490 9.821 1.00 0.00 C ATOM 918 O ASN A 59 2.680 1.869 10.794 1.00 0.00 O ATOM 919 CB ASN A 59 3.269 4.583 8.902 1.00 0.00 C ATOM 920 CG ASN A 59 4.550 5.158 8.330 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.649 4.808 8.762 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.415 6.047 7.353 1.00 0.00 N ATOM 0 H ASN A 59 2.487 3.458 6.847 1.00 0.00 H new ATOM 0 HA ASN A 59 4.200 2.645 8.953 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.415 5.023 8.387 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.186 4.862 9.952 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.242 6.469 6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.485 6.308 7.026 1.00 0.00 H new ATOM 929 N ALA A 60 0.958 2.705 9.611 1.00 0.00 N ATOM 930 CA ALA A 60 -0.058 2.211 10.533 1.00 0.00 C ATOM 931 C ALA A 60 0.222 0.767 10.936 1.00 0.00 C ATOM 932 O ALA A 60 0.142 0.414 12.113 1.00 0.00 O ATOM 933 CB ALA A 60 -1.440 2.328 9.908 1.00 0.00 C ATOM 0 H ALA A 60 0.588 3.218 8.811 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.026 2.825 11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.188 1.956 10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.648 3.373 9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.476 1.740 8.991 1.00 0.00 H new ATOM 939 N LEU A 61 0.550 -0.063 9.952 1.00 0.00 N ATOM 940 CA LEU A 61 0.841 -1.470 10.204 1.00 0.00 C ATOM 941 C LEU A 61 2.008 -1.620 11.176 1.00 0.00 C ATOM 942 O LEU A 61 1.837 -2.094 12.299 1.00 0.00 O ATOM 943 CB LEU A 61 1.160 -2.189 8.892 1.00 0.00 C ATOM 944 CG LEU A 61 0.097 -2.090 7.797 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.738 -2.185 6.421 1.00 0.00 C ATOM 946 CD2 LEU A 61 -0.954 -3.175 7.975 1.00 0.00 C ATOM 0 H LEU A 61 0.621 0.214 8.973 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.043 -1.923 10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.095 -1.789 8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.331 -3.243 9.111 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.394 -1.120 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.034 -2.113 5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.452 -1.371 6.295 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.256 -3.140 6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.702 -3.089 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.479 -4.154 7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.435 -3.060 8.946 1.00 0.00 H new ATOM 958 N TYR A 62 3.192 -1.209 10.736 1.00 0.00 N ATOM 959 CA TYR A 62 4.388 -1.297 11.566 1.00 0.00 C ATOM 960 C TYR A 62 4.211 -0.510 12.861 1.00 0.00 C ATOM 961 O TYR A 62 3.608 0.563 12.888 1.00 0.00 O ATOM 962 CB TYR A 62 5.605 -0.776 10.801 1.00 0.00 C ATOM 963 CG TYR A 62 6.217 -1.796 9.868 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.928 -2.882 10.364 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.084 -1.675 8.490 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.489 -3.816 9.516 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.640 -2.605 7.634 1.00 0.00 C ATOM 968 CZ TYR A 62 7.342 -3.674 8.152 1.00 0.00 C ATOM 969 OH TYR A 62 7.899 -4.602 7.302 1.00 0.00 O ATOM 0 H TYR A 62 3.349 -0.812 9.810 1.00 0.00 H new ATOM 0 HA TYR A 62 4.548 -2.345 11.818 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.313 0.102 10.225 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.361 -0.451 11.516 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.044 -2.997 11.432 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.536 -0.839 8.081 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.040 -4.653 9.919 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.526 -2.496 6.566 1.00 0.00 H new ATOM 0 HH TYR A 62 7.702 -4.355 6.374 1.00 0.00 H new ATOM 979 N PRO A 63 4.751 -1.054 13.962 1.00 0.00 N ATOM 980 CA PRO A 63 4.668 -0.420 15.281 1.00 0.00 C ATOM 981 C PRO A 63 5.517 0.844 15.371 1.00 0.00 C ATOM 982 O PRO A 63 6.088 1.290 14.376 1.00 0.00 O ATOM 983 CB PRO A 63 5.209 -1.496 16.226 1.00 0.00 C ATOM 984 CG PRO A 63 6.099 -2.335 15.375 1.00 0.00 C ATOM 985 CD PRO A 63 5.484 -2.331 14.003 1.00 0.00 C ATOM 0 HA PRO A 63 3.653 -0.098 15.516 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.758 -1.053 17.057 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.401 -2.087 16.657 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.111 -1.930 15.350 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.171 -3.349 15.767 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.243 -2.384 13.222 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.818 -3.182 13.859 1.00 0.00 H new ATOM 993 N GLU A 64 5.594 1.415 16.568 1.00 0.00 N ATOM 994 CA GLU A 64 6.374 2.628 16.786 1.00 0.00 C ATOM 995 C GLU A 64 7.849 2.389 16.482 1.00 0.00 C ATOM 996 O GLU A 64 8.399 1.336 16.804 1.00 0.00 O ATOM 997 CB GLU A 64 6.211 3.113 18.229 1.00 0.00 C ATOM 998 CG GLU A 64 4.764 3.320 18.642 1.00 0.00 C ATOM 999 CD GLU A 64 4.631 3.827 20.065 1.00 0.00 C ATOM 1000 OE1 GLU A 64 5.307 3.276 20.958 1.00 0.00 O ATOM 1001 OE2 GLU A 64 3.849 4.776 20.285 1.00 0.00 O ATOM 0 H GLU A 64 5.127 1.058 17.401 1.00 0.00 H new ATOM 0 HA GLU A 64 6.001 3.395 16.108 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.672 2.389 18.901 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.753 4.051 18.351 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.294 4.030 17.962 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.224 2.379 18.544 1.00 0.00 H new ATOM 1008 N GLY A 65 8.486 3.375 15.856 1.00 0.00 N ATOM 1009 CA GLY A 65 9.892 3.252 15.517 1.00 0.00 C ATOM 1010 C GLY A 65 10.123 2.357 14.316 1.00 0.00 C ATOM 1011 O GLY A 65 10.865 2.714 13.402 1.00 0.00 O ATOM 0 H GLY A 65 8.053 4.256 15.578 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.301 4.241 15.313 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.435 2.853 16.373 1.00 0.00 H new ATOM 1015 N GLN A 66 9.487 1.190 14.319 1.00 0.00 N ATOM 1016 CA GLN A 66 9.629 0.240 13.222 1.00 0.00 C ATOM 1017 C GLN A 66 9.213 0.872 11.897 1.00 0.00 C ATOM 1018 O GLN A 66 9.775 0.562 10.847 1.00 0.00 O ATOM 1019 CB GLN A 66 8.790 -1.010 13.489 1.00 0.00 C ATOM 1020 CG GLN A 66 9.465 -2.009 14.416 1.00 0.00 C ATOM 1021 CD GLN A 66 9.463 -1.556 15.863 1.00 0.00 C ATOM 1022 OE1 GLN A 66 10.038 -0.521 16.202 1.00 0.00 O ATOM 1023 NE2 GLN A 66 8.815 -2.331 16.725 1.00 0.00 N ATOM 0 H GLN A 66 8.869 0.880 15.069 1.00 0.00 H new ATOM 0 HA GLN A 66 10.679 -0.044 13.155 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.836 -0.711 13.923 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.569 -1.499 12.540 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.957 -2.970 14.340 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.493 -2.165 14.089 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.353 -3.180 16.400 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.780 -2.077 17.712 1.00 0.00 H new ATOM 1032 N ALA A 67 8.225 1.759 11.955 1.00 0.00 N ATOM 1033 CA ALA A 67 7.735 2.435 10.761 1.00 0.00 C ATOM 1034 C ALA A 67 8.891 2.916 9.889 1.00 0.00 C ATOM 1035 O ALA A 67 9.758 3.672 10.327 1.00 0.00 O ATOM 1036 CB ALA A 67 6.841 3.604 11.145 1.00 0.00 C ATOM 0 H ALA A 67 7.748 2.026 12.816 1.00 0.00 H new ATOM 0 HA ALA A 67 7.150 1.719 10.183 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.482 4.099 10.243 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.991 3.238 11.720 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.408 4.313 11.747 1.00 0.00 H new ATOM 1042 N PRO A 68 8.905 2.468 8.625 1.00 0.00 N ATOM 1043 CA PRO A 68 9.950 2.839 7.665 1.00 0.00 C ATOM 1044 C PRO A 68 9.860 4.303 7.249 1.00 0.00 C ATOM 1045 O PRO A 68 10.878 4.962 7.034 1.00 0.00 O ATOM 1046 CB PRO A 68 9.673 1.925 6.469 1.00 0.00 C ATOM 1047 CG PRO A 68 8.222 1.602 6.566 1.00 0.00 C ATOM 1048 CD PRO A 68 7.904 1.564 8.035 1.00 0.00 C ATOM 0 HA PRO A 68 10.949 2.723 8.084 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.905 2.423 5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.283 1.023 6.511 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.620 2.354 6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.003 0.644 6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.888 1.904 8.235 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.987 0.555 8.438 1.00 0.00 H new ATOM 1056 N VAL A 69 8.635 4.808 7.136 1.00 0.00 N ATOM 1057 CA VAL A 69 8.412 6.195 6.747 1.00 0.00 C ATOM 1058 C VAL A 69 7.862 7.011 7.911 1.00 0.00 C ATOM 1059 O VAL A 69 6.653 7.051 8.140 1.00 0.00 O ATOM 1060 CB VAL A 69 7.438 6.295 5.559 1.00 0.00 C ATOM 1061 CG1 VAL A 69 7.027 7.741 5.325 1.00 0.00 C ATOM 1062 CG2 VAL A 69 8.063 5.701 4.306 1.00 0.00 C ATOM 0 H VAL A 69 7.782 4.276 7.309 1.00 0.00 H new ATOM 0 HA VAL A 69 9.379 6.599 6.449 1.00 0.00 H new ATOM 0 HB VAL A 69 6.542 5.722 5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.339 7.792 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.536 8.129 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.911 8.340 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.360 5.780 3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.976 6.245 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.301 4.652 4.481 1.00 0.00 H new ATOM 1072 N LYS A 70 8.758 7.662 8.646 1.00 0.00 N ATOM 1073 CA LYS A 70 8.364 8.480 9.787 1.00 0.00 C ATOM 1074 C LYS A 70 7.883 9.854 9.331 1.00 0.00 C ATOM 1075 O LYS A 70 6.858 10.351 9.799 1.00 0.00 O ATOM 1076 CB LYS A 70 9.536 8.635 10.758 1.00 0.00 C ATOM 1077 CG LYS A 70 9.901 7.350 11.481 1.00 0.00 C ATOM 1078 CD LYS A 70 10.792 6.464 10.627 1.00 0.00 C ATOM 1079 CE LYS A 70 11.612 5.509 11.481 1.00 0.00 C ATOM 1080 NZ LYS A 70 12.419 4.574 10.649 1.00 0.00 N ATOM 0 H LYS A 70 9.763 7.639 8.471 1.00 0.00 H new ATOM 0 HA LYS A 70 7.542 7.977 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.407 8.993 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.288 9.399 11.495 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.411 7.589 12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.992 6.808 11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.179 5.894 9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.460 7.085 10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.274 6.081 12.131 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.946 4.937 12.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.110 4.082 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.790 3.876 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.921 5.110 9.912 1.00 0.00 H new ATOM 1094 N LYS A 71 8.627 10.462 8.414 1.00 0.00 N ATOM 1095 CA LYS A 71 8.275 11.777 7.892 1.00 0.00 C ATOM 1096 C LYS A 71 7.090 11.685 6.936 1.00 0.00 C ATOM 1097 O LYS A 71 7.197 11.102 5.856 1.00 0.00 O ATOM 1098 CB LYS A 71 9.475 12.402 7.175 1.00 0.00 C ATOM 1099 CG LYS A 71 10.682 12.606 8.074 1.00 0.00 C ATOM 1100 CD LYS A 71 10.532 13.850 8.934 1.00 0.00 C ATOM 1101 CE LYS A 71 11.664 13.970 9.943 1.00 0.00 C ATOM 1102 NZ LYS A 71 11.515 12.998 11.062 1.00 0.00 N ATOM 0 H LYS A 71 9.478 10.065 8.017 1.00 0.00 H new ATOM 0 HA LYS A 71 7.992 12.410 8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.760 11.765 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.177 13.364 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.812 11.733 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.581 12.690 7.464 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.516 14.734 8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.577 13.818 9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.617 13.803 9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.688 14.984 10.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.247 13.179 11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.575 13.106 11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.620 12.030 10.697 1.00 0.00 H new ATOM 1116 N ILE A 72 5.964 12.262 7.339 1.00 0.00 N ATOM 1117 CA ILE A 72 4.761 12.246 6.517 1.00 0.00 C ATOM 1118 C ILE A 72 4.166 13.644 6.385 1.00 0.00 C ATOM 1119 O ILE A 72 3.293 14.033 7.161 1.00 0.00 O ATOM 1120 CB ILE A 72 3.694 11.299 7.098 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.346 10.011 7.605 1.00 0.00 C ATOM 1122 CG2 ILE A 72 2.636 10.987 6.050 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.364 9.037 8.215 1.00 0.00 C ATOM 0 H ILE A 72 5.859 12.747 8.230 1.00 0.00 H new ATOM 0 HA ILE A 72 5.057 11.885 5.532 1.00 0.00 H new ATOM 0 HB ILE A 72 3.209 11.794 7.939 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.862 9.524 6.777 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.103 10.264 8.347 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.889 10.317 6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.155 11.912 5.732 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.105 10.508 5.190 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.896 8.147 8.553 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.866 9.506 9.064 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.621 8.754 7.469 1.00 0.00 H new ATOM 1135 N GLN A 73 4.644 14.394 5.398 1.00 0.00 N ATOM 1136 CA GLN A 73 4.158 15.749 5.164 1.00 0.00 C ATOM 1137 C GLN A 73 3.568 15.882 3.764 1.00 0.00 C ATOM 1138 O GLN A 73 4.125 15.371 2.794 1.00 0.00 O ATOM 1139 CB GLN A 73 5.292 16.759 5.350 1.00 0.00 C ATOM 1140 CG GLN A 73 4.810 18.193 5.502 1.00 0.00 C ATOM 1141 CD GLN A 73 4.194 18.461 6.861 1.00 0.00 C ATOM 1142 OE1 GLN A 73 3.636 17.561 7.491 1.00 0.00 O ATOM 1143 NE2 GLN A 73 4.291 19.702 7.322 1.00 0.00 N ATOM 0 H GLN A 73 5.367 14.087 4.747 1.00 0.00 H new ATOM 0 HA GLN A 73 3.372 15.957 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.872 16.484 6.231 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.965 16.699 4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.648 18.872 5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.076 18.410 4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.762 20.417 6.767 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.895 19.941 8.231 1.00 0.00 H new ATOM 1152 N ALA A 74 2.436 16.572 3.668 1.00 0.00 N ATOM 1153 CA ALA A 74 1.771 16.773 2.387 1.00 0.00 C ATOM 1154 C ALA A 74 2.432 17.896 1.595 1.00 0.00 C ATOM 1155 O ALA A 74 2.000 19.048 1.654 1.00 0.00 O ATOM 1156 CB ALA A 74 0.294 17.074 2.600 1.00 0.00 C ATOM 0 H ALA A 74 1.961 17.001 4.462 1.00 0.00 H new ATOM 0 HA ALA A 74 1.864 15.853 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.190 17.222 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.177 16.238 3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.190 17.978 3.200 1.00 0.00 H new ATOM 1162 N SER A 75 3.482 17.554 0.856 1.00 0.00 N ATOM 1163 CA SER A 75 4.206 18.535 0.056 1.00 0.00 C ATOM 1164 C SER A 75 3.481 18.806 -1.259 1.00 0.00 C ATOM 1165 O SER A 75 2.879 17.906 -1.846 1.00 0.00 O ATOM 1166 CB SER A 75 5.629 18.046 -0.224 1.00 0.00 C ATOM 1167 OG SER A 75 6.346 17.847 0.982 1.00 0.00 O ATOM 0 H SER A 75 3.851 16.605 0.794 1.00 0.00 H new ATOM 0 HA SER A 75 4.254 19.465 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.592 17.113 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.151 18.773 -0.846 1.00 0.00 H new ATOM 0 HG SER A 75 6.871 18.649 1.187 1.00 0.00 H new ATOM 1173 N THR A 76 3.543 20.052 -1.716 1.00 0.00 N ATOM 1174 CA THR A 76 2.893 20.444 -2.960 1.00 0.00 C ATOM 1175 C THR A 76 3.803 20.197 -4.158 1.00 0.00 C ATOM 1176 O THR A 76 3.336 19.858 -5.245 1.00 0.00 O ATOM 1177 CB THR A 76 2.484 21.928 -2.937 1.00 0.00 C ATOM 1178 OG1 THR A 76 3.634 22.750 -2.706 1.00 0.00 O ATOM 1179 CG2 THR A 76 1.444 22.187 -1.857 1.00 0.00 C ATOM 0 H THR A 76 4.037 20.808 -1.243 1.00 0.00 H new ATOM 0 HA THR A 76 1.997 19.830 -3.055 1.00 0.00 H new ATOM 0 HB THR A 76 2.049 22.177 -3.905 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.366 23.692 -2.695 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.171 23.242 -1.860 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.558 21.582 -2.052 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.857 21.922 -0.884 1.00 0.00 H new ATOM 1187 N MET A 77 5.105 20.369 -3.951 1.00 0.00 N ATOM 1188 CA MET A 77 6.081 20.163 -5.015 1.00 0.00 C ATOM 1189 C MET A 77 5.758 18.903 -5.812 1.00 0.00 C ATOM 1190 O MET A 77 5.018 18.037 -5.348 1.00 0.00 O ATOM 1191 CB MET A 77 7.491 20.064 -4.430 1.00 0.00 C ATOM 1192 CG MET A 77 8.194 21.406 -4.308 1.00 0.00 C ATOM 1193 SD MET A 77 9.839 21.265 -3.583 1.00 0.00 S ATOM 1194 CE MET A 77 10.698 22.587 -4.433 1.00 0.00 C ATOM 0 H MET A 77 5.508 20.650 -3.057 1.00 0.00 H new ATOM 0 HA MET A 77 6.034 21.019 -5.688 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.435 19.602 -3.445 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.091 19.405 -5.058 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.274 21.861 -5.295 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.588 22.075 -3.697 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.732 22.628 -4.091 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.678 22.402 -5.507 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.207 23.536 -4.219 1.00 0.00 H new ATOM 1204 N ALA A 78 6.319 18.809 -7.013 1.00 0.00 N ATOM 1205 CA ALA A 78 6.092 17.654 -7.873 1.00 0.00 C ATOM 1206 C ALA A 78 7.054 16.520 -7.535 1.00 0.00 C ATOM 1207 O ALA A 78 6.686 15.346 -7.582 1.00 0.00 O ATOM 1208 CB ALA A 78 6.233 18.050 -9.336 1.00 0.00 C ATOM 0 H ALA A 78 6.934 19.518 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 78 5.077 17.297 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.061 17.178 -9.967 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.502 18.822 -9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.237 18.434 -9.514 1.00 0.00 H new ATOM 1214 N PHE A 79 8.287 16.879 -7.194 1.00 0.00 N ATOM 1215 CA PHE A 79 9.303 15.891 -6.850 1.00 0.00 C ATOM 1216 C PHE A 79 9.028 15.285 -5.476 1.00 0.00 C ATOM 1217 O PHE A 79 9.091 14.068 -5.297 1.00 0.00 O ATOM 1218 CB PHE A 79 10.693 16.529 -6.869 1.00 0.00 C ATOM 1219 CG PHE A 79 11.683 15.837 -5.977 1.00 0.00 C ATOM 1220 CD1 PHE A 79 12.138 14.564 -6.280 1.00 0.00 C ATOM 1221 CD2 PHE A 79 12.158 16.459 -4.833 1.00 0.00 C ATOM 1222 CE1 PHE A 79 13.049 13.924 -5.461 1.00 0.00 C ATOM 1223 CE2 PHE A 79 13.070 15.825 -4.011 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.515 14.555 -4.324 1.00 0.00 C ATOM 0 H PHE A 79 8.607 17.846 -7.148 1.00 0.00 H new ATOM 0 HA PHE A 79 9.267 15.095 -7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 79 11.072 16.525 -7.891 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.609 17.572 -6.565 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.776 14.066 -7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.811 17.450 -4.581 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.396 12.932 -5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.435 16.322 -3.124 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.226 14.057 -3.681 1.00 0.00 H new ATOM 1234 N LYS A 80 8.724 16.143 -4.508 1.00 0.00 N ATOM 1235 CA LYS A 80 8.439 15.695 -3.150 1.00 0.00 C ATOM 1236 C LYS A 80 7.366 14.611 -3.149 1.00 0.00 C ATOM 1237 O LYS A 80 7.608 13.487 -2.709 1.00 0.00 O ATOM 1238 CB LYS A 80 7.988 16.875 -2.286 1.00 0.00 C ATOM 1239 CG LYS A 80 9.024 17.980 -2.176 1.00 0.00 C ATOM 1240 CD LYS A 80 10.119 17.620 -1.186 1.00 0.00 C ATOM 1241 CE LYS A 80 9.740 18.019 0.232 1.00 0.00 C ATOM 1242 NZ LYS A 80 8.979 16.943 0.926 1.00 0.00 N ATOM 0 H LYS A 80 8.669 17.153 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 80 9.354 15.276 -2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.070 17.289 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.749 16.512 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.464 18.166 -3.156 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.539 18.905 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.308 16.547 -1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.046 18.118 -1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.643 18.249 0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.140 18.929 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.306 16.866 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.965 17.173 0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.134 16.038 0.438 1.00 0.00 H new ATOM 1256 N GLN A 81 6.182 14.955 -3.645 1.00 0.00 N ATOM 1257 CA GLN A 81 5.073 14.010 -3.701 1.00 0.00 C ATOM 1258 C GLN A 81 5.513 12.693 -4.331 1.00 0.00 C ATOM 1259 O GLN A 81 5.498 11.647 -3.681 1.00 0.00 O ATOM 1260 CB GLN A 81 3.908 14.605 -4.493 1.00 0.00 C ATOM 1261 CG GLN A 81 3.365 15.895 -3.901 1.00 0.00 C ATOM 1262 CD GLN A 81 2.284 16.522 -4.759 1.00 0.00 C ATOM 1263 OE1 GLN A 81 2.554 17.022 -5.852 1.00 0.00 O ATOM 1264 NE2 GLN A 81 1.050 16.497 -4.269 1.00 0.00 N ATOM 0 H GLN A 81 5.966 15.881 -4.014 1.00 0.00 H new ATOM 0 HA GLN A 81 4.745 13.812 -2.681 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.234 14.794 -5.516 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.103 13.872 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.964 15.694 -2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.182 16.605 -3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.871 16.072 -3.359 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.281 16.902 -4.803 1.00 0.00 H new ATOM 1273 N MET A 82 5.903 12.750 -5.600 1.00 0.00 N ATOM 1274 CA MET A 82 6.347 11.561 -6.318 1.00 0.00 C ATOM 1275 C MET A 82 7.149 10.642 -5.402 1.00 0.00 C ATOM 1276 O MET A 82 6.704 9.545 -5.065 1.00 0.00 O ATOM 1277 CB MET A 82 7.193 11.957 -7.530 1.00 0.00 C ATOM 1278 CG MET A 82 6.374 12.212 -8.785 1.00 0.00 C ATOM 1279 SD MET A 82 7.379 12.216 -10.281 1.00 0.00 S ATOM 1280 CE MET A 82 7.456 13.970 -10.633 1.00 0.00 C ATOM 0 H MET A 82 5.921 13.607 -6.153 1.00 0.00 H new ATOM 0 HA MET A 82 5.464 11.023 -6.661 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.762 12.855 -7.288 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.916 11.167 -7.732 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.602 11.447 -8.872 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.863 13.171 -8.692 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.072 14.157 -11.636 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.853 14.514 -9.906 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.490 14.308 -10.572 1.00 0.00 H new ATOM 1290 N GLU A 83 8.333 11.096 -5.004 1.00 0.00 N ATOM 1291 CA GLU A 83 9.197 10.313 -4.128 1.00 0.00 C ATOM 1292 C GLU A 83 8.406 9.741 -2.954 1.00 0.00 C ATOM 1293 O GLU A 83 8.620 8.600 -2.546 1.00 0.00 O ATOM 1294 CB GLU A 83 10.351 11.173 -3.609 1.00 0.00 C ATOM 1295 CG GLU A 83 11.179 10.495 -2.532 1.00 0.00 C ATOM 1296 CD GLU A 83 12.275 9.616 -3.104 1.00 0.00 C ATOM 1297 OE1 GLU A 83 12.726 9.893 -4.236 1.00 0.00 O ATOM 1298 OE2 GLU A 83 12.681 8.653 -2.422 1.00 0.00 O ATOM 0 H GLU A 83 8.716 12.002 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 83 9.604 9.485 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.001 11.436 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.948 12.105 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.626 11.255 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.525 9.891 -1.903 1.00 0.00 H new ATOM 1305 N GLN A 84 7.493 10.544 -2.417 1.00 0.00 N ATOM 1306 CA GLN A 84 6.672 10.119 -1.289 1.00 0.00 C ATOM 1307 C GLN A 84 6.042 8.756 -1.558 1.00 0.00 C ATOM 1308 O GLN A 84 5.916 7.931 -0.653 1.00 0.00 O ATOM 1309 CB GLN A 84 5.580 11.152 -1.008 1.00 0.00 C ATOM 1310 CG GLN A 84 5.133 11.185 0.444 1.00 0.00 C ATOM 1311 CD GLN A 84 5.960 12.134 1.289 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.418 13.171 0.809 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.156 11.783 2.554 1.00 0.00 N ATOM 0 H GLN A 84 7.303 11.491 -2.744 1.00 0.00 H new ATOM 0 HA GLN A 84 7.316 10.035 -0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.945 12.140 -1.290 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.718 10.938 -1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.085 11.482 0.491 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.198 10.181 0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.757 10.914 2.910 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.705 12.382 3.170 1.00 0.00 H new ATOM 1322 N ILE A 85 5.648 8.528 -2.807 1.00 0.00 N ATOM 1323 CA ILE A 85 5.032 7.265 -3.194 1.00 0.00 C ATOM 1324 C ILE A 85 6.033 6.117 -3.115 1.00 0.00 C ATOM 1325 O ILE A 85 5.725 5.046 -2.593 1.00 0.00 O ATOM 1326 CB ILE A 85 4.458 7.333 -4.621 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.349 8.385 -4.699 1.00 0.00 C ATOM 1328 CG2 ILE A 85 3.933 5.970 -5.047 1.00 0.00 C ATOM 1329 CD1 ILE A 85 2.901 8.687 -6.111 1.00 0.00 C ATOM 0 H ILE A 85 5.744 9.201 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 85 4.218 7.083 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 85 5.257 7.623 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.492 8.041 -4.120 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.699 9.306 -4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.531 6.035 -6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.746 5.244 -5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.146 5.653 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.114 9.441 -6.090 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.746 9.061 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.520 7.777 -6.574 1.00 0.00 H new ATOM 1341 N SER A 86 7.234 6.350 -3.635 1.00 0.00 N ATOM 1342 CA SER A 86 8.281 5.336 -3.625 1.00 0.00 C ATOM 1343 C SER A 86 8.609 4.907 -2.198 1.00 0.00 C ATOM 1344 O SER A 86 8.666 3.715 -1.895 1.00 0.00 O ATOM 1345 CB SER A 86 9.541 5.866 -4.312 1.00 0.00 C ATOM 1346 OG SER A 86 10.231 6.779 -3.478 1.00 0.00 O ATOM 0 H SER A 86 7.506 7.232 -4.068 1.00 0.00 H new ATOM 0 HA SER A 86 7.915 4.467 -4.172 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.197 5.034 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.270 6.356 -5.247 1.00 0.00 H new ATOM 0 HG SER A 86 9.623 7.498 -3.206 1.00 0.00 H new ATOM 1352 N GLN A 87 8.823 5.887 -1.327 1.00 0.00 N ATOM 1353 CA GLN A 87 9.146 5.611 0.068 1.00 0.00 C ATOM 1354 C GLN A 87 8.256 4.504 0.624 1.00 0.00 C ATOM 1355 O GLN A 87 8.685 3.712 1.463 1.00 0.00 O ATOM 1356 CB GLN A 87 8.989 6.879 0.910 1.00 0.00 C ATOM 1357 CG GLN A 87 10.019 7.951 0.593 1.00 0.00 C ATOM 1358 CD GLN A 87 10.317 8.844 1.781 1.00 0.00 C ATOM 1359 OE1 GLN A 87 11.438 8.867 2.290 1.00 0.00 O ATOM 1360 NE2 GLN A 87 9.312 9.586 2.231 1.00 0.00 N ATOM 0 H GLN A 87 8.779 6.879 -1.562 1.00 0.00 H new ATOM 0 HA GLN A 87 10.183 5.277 0.116 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.991 7.288 0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.063 6.616 1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.942 7.476 0.260 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.659 8.562 -0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.399 9.536 1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.453 10.206 3.029 1.00 0.00 H new ATOM 1369 N PHE A 88 7.016 4.455 0.151 1.00 0.00 N ATOM 1370 CA PHE A 88 6.065 3.446 0.602 1.00 0.00 C ATOM 1371 C PHE A 88 6.343 2.101 -0.062 1.00 0.00 C ATOM 1372 O PHE A 88 6.314 1.056 0.589 1.00 0.00 O ATOM 1373 CB PHE A 88 4.633 3.891 0.298 1.00 0.00 C ATOM 1374 CG PHE A 88 3.678 2.748 0.102 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.566 1.751 1.058 1.00 0.00 C ATOM 1376 CD2 PHE A 88 2.893 2.671 -1.037 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.689 0.698 0.880 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.014 1.620 -1.220 1.00 0.00 C ATOM 1379 CZ PHE A 88 1.911 0.633 -0.260 1.00 0.00 C ATOM 0 H PHE A 88 6.646 5.102 -0.545 1.00 0.00 H new ATOM 0 HA PHE A 88 6.181 3.330 1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.275 4.517 1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.636 4.509 -0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.171 1.797 1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.969 3.441 -1.791 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.612 -0.074 1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.408 1.571 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.224 -0.188 -0.400 1.00 0.00 H new ATOM 1389 N LEU A 89 6.613 2.135 -1.362 1.00 0.00 N ATOM 1390 CA LEU A 89 6.897 0.919 -2.117 1.00 0.00 C ATOM 1391 C LEU A 89 8.087 0.174 -1.521 1.00 0.00 C ATOM 1392 O LEU A 89 7.968 -0.984 -1.123 1.00 0.00 O ATOM 1393 CB LEU A 89 7.175 1.259 -3.583 1.00 0.00 C ATOM 1394 CG LEU A 89 6.071 2.022 -4.316 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.606 2.625 -5.605 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.889 1.107 -4.602 1.00 0.00 C ATOM 0 H LEU A 89 6.641 2.991 -1.916 1.00 0.00 H new ATOM 0 HA LEU A 89 6.022 0.272 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.090 1.849 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.366 0.330 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 89 5.728 2.834 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.807 3.164 -6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.419 3.314 -5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.976 1.830 -6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.113 1.667 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.216 0.274 -5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.490 0.724 -3.663 1.00 0.00 H new ATOM 1408 N GLN A 90 9.231 0.847 -1.463 1.00 0.00 N ATOM 1409 CA GLN A 90 10.442 0.248 -0.914 1.00 0.00 C ATOM 1410 C GLN A 90 10.114 -0.656 0.269 1.00 0.00 C ATOM 1411 O GLN A 90 10.691 -1.732 0.420 1.00 0.00 O ATOM 1412 CB GLN A 90 11.425 1.338 -0.482 1.00 0.00 C ATOM 1413 CG GLN A 90 12.073 2.069 -1.646 1.00 0.00 C ATOM 1414 CD GLN A 90 13.276 1.333 -2.201 1.00 0.00 C ATOM 1415 OE1 GLN A 90 14.142 0.882 -1.451 1.00 0.00 O ATOM 1416 NE2 GLN A 90 13.336 1.207 -3.521 1.00 0.00 N ATOM 0 H GLN A 90 9.345 1.807 -1.789 1.00 0.00 H new ATOM 0 HA GLN A 90 10.903 -0.358 -1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.901 2.061 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.205 0.889 0.134 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.338 2.205 -2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.379 3.063 -1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.596 1.596 -4.105 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.122 0.721 -3.952 1.00 0.00 H new ATOM 1425 N ALA A 91 9.183 -0.211 1.107 1.00 0.00 N ATOM 1426 CA ALA A 91 8.777 -0.981 2.276 1.00 0.00 C ATOM 1427 C ALA A 91 7.836 -2.116 1.887 1.00 0.00 C ATOM 1428 O ALA A 91 7.948 -3.231 2.396 1.00 0.00 O ATOM 1429 CB ALA A 91 8.115 -0.073 3.303 1.00 0.00 C ATOM 0 H ALA A 91 8.696 0.679 0.998 1.00 0.00 H new ATOM 0 HA ALA A 91 9.671 -1.421 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.817 -0.662 4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.819 0.699 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.235 0.394 2.862 1.00 0.00 H new ATOM 1435 N ALA A 92 6.908 -1.824 0.981 1.00 0.00 N ATOM 1436 CA ALA A 92 5.948 -2.821 0.523 1.00 0.00 C ATOM 1437 C ALA A 92 6.645 -4.126 0.154 1.00 0.00 C ATOM 1438 O ALA A 92 6.325 -5.185 0.693 1.00 0.00 O ATOM 1439 CB ALA A 92 5.160 -2.288 -0.664 1.00 0.00 C ATOM 0 H ALA A 92 6.801 -0.906 0.550 1.00 0.00 H new ATOM 0 HA ALA A 92 5.258 -3.027 1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.447 -3.043 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.623 -1.386 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.844 -2.053 -1.479 1.00 0.00 H new ATOM 1445 N GLU A 93 7.599 -4.042 -0.768 1.00 0.00 N ATOM 1446 CA GLU A 93 8.340 -5.217 -1.210 1.00 0.00 C ATOM 1447 C GLU A 93 9.102 -5.848 -0.047 1.00 0.00 C ATOM 1448 O GLU A 93 9.049 -7.061 0.157 1.00 0.00 O ATOM 1449 CB GLU A 93 9.314 -4.843 -2.329 1.00 0.00 C ATOM 1450 CG GLU A 93 10.097 -6.026 -2.875 1.00 0.00 C ATOM 1451 CD GLU A 93 11.409 -6.244 -2.147 1.00 0.00 C ATOM 1452 OE1 GLU A 93 12.028 -5.242 -1.730 1.00 0.00 O ATOM 1453 OE2 GLU A 93 11.817 -7.414 -1.996 1.00 0.00 O ATOM 0 H GLU A 93 7.877 -3.172 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 93 7.623 -5.945 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.758 -4.379 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.014 -4.096 -1.955 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.488 -6.927 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.296 -5.867 -3.935 1.00 0.00 H new ATOM 1460 N ARG A 94 9.809 -5.017 0.710 1.00 0.00 N ATOM 1461 CA ARG A 94 10.583 -5.492 1.850 1.00 0.00 C ATOM 1462 C ARG A 94 9.668 -6.078 2.922 1.00 0.00 C ATOM 1463 O ARG A 94 10.120 -6.797 3.813 1.00 0.00 O ATOM 1464 CB ARG A 94 11.414 -4.352 2.441 1.00 0.00 C ATOM 1465 CG ARG A 94 12.739 -4.131 1.729 1.00 0.00 C ATOM 1466 CD ARG A 94 13.787 -3.555 2.669 1.00 0.00 C ATOM 1467 NE ARG A 94 14.064 -4.446 3.792 1.00 0.00 N ATOM 1468 CZ ARG A 94 14.759 -4.083 4.864 1.00 0.00 C ATOM 1469 NH1 ARG A 94 15.245 -2.853 4.958 1.00 0.00 N ATOM 1470 NH2 ARG A 94 14.969 -4.951 5.846 1.00 0.00 N ATOM 0 H ARG A 94 9.862 -4.010 0.555 1.00 0.00 H new ATOM 0 HA ARG A 94 11.254 -6.277 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.832 -3.431 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.607 -4.562 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.096 -5.076 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.593 -3.454 0.887 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.708 -3.372 2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.445 -2.591 3.047 1.00 0.00 H new ATOM 0 HE ARG A 94 13.704 -5.399 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.085 -2.183 4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.778 -2.577 5.782 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.596 -5.898 5.778 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.503 -4.671 6.669 1.00 0.00 H new ATOM 1484 N TYR A 95 8.381 -5.764 2.829 1.00 0.00 N ATOM 1485 CA TYR A 95 7.403 -6.256 3.792 1.00 0.00 C ATOM 1486 C TYR A 95 6.944 -7.665 3.431 1.00 0.00 C ATOM 1487 O TYR A 95 6.688 -8.491 4.306 1.00 0.00 O ATOM 1488 CB TYR A 95 6.198 -5.315 3.853 1.00 0.00 C ATOM 1489 CG TYR A 95 4.943 -5.972 4.382 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.728 -6.106 5.748 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.972 -6.457 3.515 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.583 -6.706 6.235 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.823 -7.057 3.994 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.634 -7.180 5.354 1.00 0.00 C ATOM 1495 OH TYR A 95 1.491 -7.777 5.836 1.00 0.00 O ATOM 0 H TYR A 95 7.991 -5.171 2.097 1.00 0.00 H new ATOM 0 HA TYR A 95 7.880 -6.289 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.445 -4.462 4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 95 6.001 -4.925 2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.469 -5.735 6.441 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.117 -6.364 2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.432 -6.803 7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.077 -7.428 3.307 1.00 0.00 H new ATOM 0 HH TYR A 95 1.642 -8.740 5.936 1.00 0.00 H new ATOM 1505 N GLY A 96 6.842 -7.933 2.132 1.00 0.00 N ATOM 1506 CA GLY A 96 6.415 -9.242 1.676 1.00 0.00 C ATOM 1507 C GLY A 96 5.919 -9.224 0.243 1.00 0.00 C ATOM 1508 O GLY A 96 6.221 -10.127 -0.537 1.00 0.00 O ATOM 0 H GLY A 96 7.048 -7.266 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.246 -9.942 1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.622 -9.609 2.327 1.00 0.00 H new ATOM 1512 N ILE A 97 5.154 -8.194 -0.103 1.00 0.00 N ATOM 1513 CA ILE A 97 4.615 -8.063 -1.451 1.00 0.00 C ATOM 1514 C ILE A 97 5.693 -8.310 -2.500 1.00 0.00 C ATOM 1515 O ILE A 97 6.886 -8.231 -2.210 1.00 0.00 O ATOM 1516 CB ILE A 97 4.002 -6.668 -1.679 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.873 -6.413 -0.678 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.491 -6.541 -3.106 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.354 -4.993 -0.701 1.00 0.00 C ATOM 0 H ILE A 97 4.894 -7.439 0.531 1.00 0.00 H new ATOM 0 HA ILE A 97 3.833 -8.815 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 97 4.777 -5.917 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.050 -7.095 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.229 -6.645 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.061 -5.550 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.317 -6.684 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.728 -7.298 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.556 -4.885 0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.165 -4.305 -0.460 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.967 -4.763 -1.694 1.00 0.00 H new ATOM 1531 N ASN A 98 5.263 -8.607 -3.723 1.00 0.00 N ATOM 1532 CA ASN A 98 6.192 -8.865 -4.817 1.00 0.00 C ATOM 1533 C ASN A 98 6.154 -7.734 -5.840 1.00 0.00 C ATOM 1534 O ASN A 98 5.084 -7.319 -6.286 1.00 0.00 O ATOM 1535 CB ASN A 98 5.856 -10.194 -5.497 1.00 0.00 C ATOM 1536 CG ASN A 98 7.037 -10.772 -6.253 1.00 0.00 C ATOM 1537 OD1 ASN A 98 8.130 -10.207 -6.244 1.00 0.00 O ATOM 1538 ND2 ASN A 98 6.820 -11.903 -6.913 1.00 0.00 N ATOM 0 H ASN A 98 4.278 -8.675 -3.980 1.00 0.00 H new ATOM 0 HA ASN A 98 7.198 -8.922 -4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.524 -10.910 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.024 -10.046 -6.186 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.576 -12.339 -7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.897 -12.336 -6.892 1.00 0.00 H new ATOM 1545 N THR A 99 7.331 -7.237 -6.209 1.00 0.00 N ATOM 1546 CA THR A 99 7.434 -6.154 -7.179 1.00 0.00 C ATOM 1547 C THR A 99 6.526 -6.402 -8.378 1.00 0.00 C ATOM 1548 O THR A 99 5.920 -5.473 -8.915 1.00 0.00 O ATOM 1549 CB THR A 99 8.882 -5.978 -7.674 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.420 -7.244 -8.073 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.755 -5.370 -6.587 1.00 0.00 C ATOM 0 H THR A 99 8.227 -7.568 -5.850 1.00 0.00 H new ATOM 0 HA THR A 99 7.119 -5.243 -6.670 1.00 0.00 H new ATOM 0 HB THR A 99 8.871 -5.302 -8.529 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.340 -7.124 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.773 -5.255 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.359 -4.394 -6.306 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.759 -6.024 -5.715 1.00 0.00 H new ATOM 1559 N THR A 100 6.433 -7.661 -8.795 1.00 0.00 N ATOM 1560 CA THR A 100 5.598 -8.030 -9.931 1.00 0.00 C ATOM 1561 C THR A 100 4.229 -7.366 -9.846 1.00 0.00 C ATOM 1562 O THR A 100 3.651 -6.982 -10.863 1.00 0.00 O ATOM 1563 CB THR A 100 5.412 -9.557 -10.018 1.00 0.00 C ATOM 1564 OG1 THR A 100 6.685 -10.210 -9.970 1.00 0.00 O ATOM 1565 CG2 THR A 100 4.686 -9.941 -11.298 1.00 0.00 C ATOM 0 H THR A 100 6.926 -8.442 -8.363 1.00 0.00 H new ATOM 0 HA THR A 100 6.111 -7.682 -10.827 1.00 0.00 H new ATOM 0 HB THR A 100 4.809 -9.876 -9.168 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.557 -11.180 -10.024 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.566 -11.024 -11.338 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.705 -9.466 -11.316 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.266 -9.609 -12.159 1.00 0.00 H new ATOM 1573 N ASP A 101 3.715 -7.233 -8.628 1.00 0.00 N ATOM 1574 CA ASP A 101 2.413 -6.613 -8.411 1.00 0.00 C ATOM 1575 C ASP A 101 2.563 -5.124 -8.119 1.00 0.00 C ATOM 1576 O ASP A 101 1.827 -4.298 -8.661 1.00 0.00 O ATOM 1577 CB ASP A 101 1.683 -7.301 -7.256 1.00 0.00 C ATOM 1578 CG ASP A 101 0.999 -8.584 -7.687 1.00 0.00 C ATOM 1579 OD1 ASP A 101 0.507 -8.639 -8.834 1.00 0.00 O ATOM 1580 OD2 ASP A 101 0.954 -9.533 -6.877 1.00 0.00 O ATOM 0 H ASP A 101 4.180 -7.546 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 101 1.826 -6.729 -9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.394 -7.521 -6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.941 -6.619 -6.841 1.00 0.00 H new ATOM 1585 N ILE A 102 3.519 -4.788 -7.259 1.00 0.00 N ATOM 1586 CA ILE A 102 3.764 -3.398 -6.895 1.00 0.00 C ATOM 1587 C ILE A 102 3.612 -2.478 -8.103 1.00 0.00 C ATOM 1588 O ILE A 102 3.991 -2.833 -9.219 1.00 0.00 O ATOM 1589 CB ILE A 102 5.171 -3.212 -6.297 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.346 -4.100 -5.064 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.407 -1.752 -5.943 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.691 -3.943 -4.391 1.00 0.00 C ATOM 0 H ILE A 102 4.136 -5.459 -6.802 1.00 0.00 H new ATOM 0 HA ILE A 102 3.020 -3.133 -6.143 1.00 0.00 H new ATOM 0 HB ILE A 102 5.909 -3.508 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.560 -3.868 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.214 -5.142 -5.355 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.406 -1.637 -5.522 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.320 -1.141 -6.841 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.665 -1.430 -5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.744 -4.603 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.482 -4.203 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.818 -2.910 -4.068 1.00 0.00 H new ATOM 1604 N PHE A 103 3.055 -1.294 -7.871 1.00 0.00 N ATOM 1605 CA PHE A 103 2.853 -0.322 -8.940 1.00 0.00 C ATOM 1606 C PHE A 103 4.021 0.657 -9.012 1.00 0.00 C ATOM 1607 O PHE A 103 4.768 0.820 -8.047 1.00 0.00 O ATOM 1608 CB PHE A 103 1.545 0.442 -8.722 1.00 0.00 C ATOM 1609 CG PHE A 103 1.552 1.304 -7.492 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.371 0.745 -6.238 1.00 0.00 C ATOM 1611 CD2 PHE A 103 1.739 2.673 -7.591 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.376 1.536 -5.104 1.00 0.00 C ATOM 1613 CE2 PHE A 103 1.745 3.469 -6.461 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.564 2.900 -5.216 1.00 0.00 C ATOM 0 H PHE A 103 2.736 -0.984 -6.953 1.00 0.00 H new ATOM 0 HA PHE A 103 2.797 -0.863 -9.884 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.349 1.067 -9.593 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.724 -0.272 -8.651 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.224 -0.321 -6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.882 3.123 -8.562 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.233 1.088 -4.132 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.891 4.535 -6.552 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.569 3.520 -4.332 1.00 0.00 H new ATOM 1624 N GLN A 104 4.172 1.305 -10.163 1.00 0.00 N ATOM 1625 CA GLN A 104 5.249 2.267 -10.362 1.00 0.00 C ATOM 1626 C GLN A 104 4.990 3.546 -9.573 1.00 0.00 C ATOM 1627 O GLN A 104 4.027 3.634 -8.810 1.00 0.00 O ATOM 1628 CB GLN A 104 5.402 2.593 -11.848 1.00 0.00 C ATOM 1629 CG GLN A 104 6.314 1.630 -12.592 1.00 0.00 C ATOM 1630 CD GLN A 104 6.138 1.703 -14.096 1.00 0.00 C ATOM 1631 OE1 GLN A 104 5.081 2.097 -14.590 1.00 0.00 O ATOM 1632 NE2 GLN A 104 7.175 1.323 -14.833 1.00 0.00 N ATOM 0 H GLN A 104 3.562 1.181 -10.971 1.00 0.00 H new ATOM 0 HA GLN A 104 6.174 1.819 -9.998 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.418 2.584 -12.317 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.794 3.605 -11.951 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.351 1.850 -12.340 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.114 0.613 -12.256 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.032 1.003 -14.381 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.115 1.351 -15.851 1.00 0.00 H new ATOM 1641 N THR A 105 5.857 4.537 -9.760 1.00 0.00 N ATOM 1642 CA THR A 105 5.723 5.810 -9.064 1.00 0.00 C ATOM 1643 C THR A 105 4.972 6.826 -9.918 1.00 0.00 C ATOM 1644 O THR A 105 4.206 7.641 -9.401 1.00 0.00 O ATOM 1645 CB THR A 105 7.098 6.391 -8.686 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.786 5.492 -7.809 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.946 7.747 -8.013 1.00 0.00 C ATOM 0 H THR A 105 6.659 4.482 -10.388 1.00 0.00 H new ATOM 0 HA THR A 105 5.157 5.615 -8.153 1.00 0.00 H new ATOM 0 HB THR A 105 7.677 6.520 -9.600 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.660 5.868 -7.575 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.930 8.138 -7.755 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.449 8.438 -8.694 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.350 7.639 -7.107 1.00 0.00 H new ATOM 1655 N VAL A 106 5.195 6.772 -11.227 1.00 0.00 N ATOM 1656 CA VAL A 106 4.537 7.687 -12.153 1.00 0.00 C ATOM 1657 C VAL A 106 3.128 7.212 -12.486 1.00 0.00 C ATOM 1658 O VAL A 106 2.189 8.007 -12.534 1.00 0.00 O ATOM 1659 CB VAL A 106 5.340 7.836 -13.459 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.410 6.508 -14.197 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.726 8.914 -14.340 1.00 0.00 C ATOM 0 H VAL A 106 5.826 6.105 -11.671 1.00 0.00 H new ATOM 0 HA VAL A 106 4.482 8.656 -11.657 1.00 0.00 H new ATOM 0 HB VAL A 106 6.357 8.138 -13.209 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.981 6.633 -15.117 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.898 5.766 -13.565 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.401 6.172 -14.439 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.305 9.007 -15.259 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.699 8.643 -14.584 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.733 9.866 -13.809 1.00 0.00 H new ATOM 1671 N ASP A 107 2.987 5.911 -12.716 1.00 0.00 N ATOM 1672 CA ASP A 107 1.690 5.329 -13.044 1.00 0.00 C ATOM 1673 C ASP A 107 0.593 5.914 -12.161 1.00 0.00 C ATOM 1674 O ASP A 107 -0.481 6.275 -12.644 1.00 0.00 O ATOM 1675 CB ASP A 107 1.735 3.808 -12.884 1.00 0.00 C ATOM 1676 CG ASP A 107 1.570 3.373 -11.441 1.00 0.00 C ATOM 1677 OD1 ASP A 107 2.434 3.727 -10.611 1.00 0.00 O ATOM 1678 OD2 ASP A 107 0.575 2.681 -11.141 1.00 0.00 O ATOM 0 H ASP A 107 3.754 5.240 -12.681 1.00 0.00 H new ATOM 0 HA ASP A 107 1.463 5.571 -14.082 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.947 3.358 -13.488 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.684 3.433 -13.267 1.00 0.00 H new ATOM 1683 N LEU A 108 0.869 6.004 -10.865 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.096 6.544 -9.913 1.00 0.00 C ATOM 1685 C LEU A 108 -0.020 8.067 -9.866 1.00 0.00 C ATOM 1686 O LEU A 108 -1.034 8.744 -9.696 1.00 0.00 O ATOM 1687 CB LEU A 108 0.155 5.967 -8.519 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.598 6.637 -7.369 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.084 6.320 -7.448 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.027 6.196 -6.029 1.00 0.00 C ATOM 0 H LEU A 108 1.753 5.710 -10.449 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.094 6.258 -10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.109 4.910 -8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.223 6.026 -8.310 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.472 7.716 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.604 6.805 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.484 6.686 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.230 5.242 -7.385 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.575 6.683 -5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.122 5.115 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.025 6.475 -5.973 1.00 0.00 H new ATOM 1702 N TRP A 109 1.187 8.599 -10.020 1.00 0.00 N ATOM 1703 CA TRP A 109 1.395 10.042 -9.998 1.00 0.00 C ATOM 1704 C TRP A 109 0.762 10.702 -11.218 1.00 0.00 C ATOM 1705 O TRP A 109 -0.201 11.459 -11.095 1.00 0.00 O ATOM 1706 CB TRP A 109 2.889 10.363 -9.947 1.00 0.00 C ATOM 1707 CG TRP A 109 3.181 11.769 -9.517 1.00 0.00 C ATOM 1708 CD1 TRP A 109 3.141 12.262 -8.245 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.556 12.862 -10.362 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.468 13.597 -8.247 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.728 13.988 -9.534 1.00 0.00 C ATOM 1712 CE3 TRP A 109 3.765 12.999 -11.737 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.098 15.233 -10.037 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.132 14.235 -12.235 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.296 15.338 -11.387 1.00 0.00 C ATOM 0 H TRP A 109 2.037 8.053 -10.161 1.00 0.00 H new ATOM 0 HA TRP A 109 0.915 10.439 -9.103 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.378 9.672 -9.261 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.323 10.195 -10.933 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.889 11.687 -7.366 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.510 14.199 -7.424 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.642 12.154 -12.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.224 16.085 -9.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.295 14.352 -13.296 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.584 16.290 -11.807 1.00 0.00 H new ATOM 1726 N GLU A 110 1.309 10.411 -12.394 1.00 0.00 N ATOM 1727 CA GLU A 110 0.797 10.978 -13.635 1.00 0.00 C ATOM 1728 C GLU A 110 -0.587 10.422 -13.957 1.00 0.00 C ATOM 1729 O GLU A 110 -1.295 10.948 -14.815 1.00 0.00 O ATOM 1730 CB GLU A 110 1.758 10.686 -14.790 1.00 0.00 C ATOM 1731 CG GLU A 110 2.835 11.742 -14.968 1.00 0.00 C ATOM 1732 CD GLU A 110 3.313 11.852 -16.403 1.00 0.00 C ATOM 1733 OE1 GLU A 110 2.483 11.684 -17.320 1.00 0.00 O ATOM 1734 OE2 GLU A 110 4.519 12.107 -16.608 1.00 0.00 O ATOM 0 H GLU A 110 2.106 9.786 -12.513 1.00 0.00 H new ATOM 0 HA GLU A 110 0.715 12.057 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.233 9.720 -14.621 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.187 10.603 -15.714 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.449 12.708 -14.643 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.682 11.504 -14.324 1.00 0.00 H new ATOM 1741 N GLY A 111 -0.965 9.353 -13.263 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.262 8.742 -13.490 1.00 0.00 C ATOM 1743 C GLY A 111 -2.411 8.203 -14.899 1.00 0.00 C ATOM 1744 O GLY A 111 -3.374 8.524 -15.596 1.00 0.00 O ATOM 0 H GLY A 111 -0.397 8.899 -12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.408 7.931 -12.777 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.044 9.477 -13.301 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.455 7.383 -15.321 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.482 6.798 -16.657 1.00 0.00 C ATOM 1750 C LYS A 112 -1.727 5.294 -16.587 1.00 0.00 C ATOM 1751 O LYS A 112 -2.485 4.742 -17.384 1.00 0.00 O ATOM 1752 CB LYS A 112 -0.166 7.079 -17.386 1.00 0.00 C ATOM 1753 CG LYS A 112 1.066 6.703 -16.582 1.00 0.00 C ATOM 1754 CD LYS A 112 2.314 6.687 -17.449 1.00 0.00 C ATOM 1755 CE LYS A 112 2.841 8.093 -17.693 1.00 0.00 C ATOM 1756 NZ LYS A 112 2.243 8.706 -18.912 1.00 0.00 N ATOM 0 H LYS A 112 -0.651 7.108 -14.757 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.301 7.256 -17.211 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.157 6.529 -18.327 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.117 8.139 -17.635 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.199 7.412 -15.765 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.922 5.721 -16.132 1.00 0.00 H new ATOM 0 HD2 LYS A 112 3.086 6.087 -16.967 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.089 6.211 -18.403 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.622 8.718 -16.827 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.926 8.061 -17.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.977 9.222 -19.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.846 7.959 -19.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.488 9.365 -18.634 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.081 4.638 -15.629 1.00 0.00 N ATOM 1771 CA ASN A 113 -1.230 3.198 -15.456 1.00 0.00 C ATOM 1772 C ASN A 113 -1.485 2.849 -13.992 1.00 0.00 C ATOM 1773 O ASN A 113 -0.794 2.011 -13.414 1.00 0.00 O ATOM 1774 CB ASN A 113 0.021 2.471 -15.954 1.00 0.00 C ATOM 1775 CG ASN A 113 -0.066 2.114 -17.425 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -0.843 2.706 -18.175 1.00 0.00 O ATOM 1777 ND2 ASN A 113 0.734 1.141 -17.846 1.00 0.00 N ATOM 0 H ASN A 113 -0.450 5.080 -14.961 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.089 2.874 -16.044 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.895 3.101 -15.787 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.167 1.562 -15.370 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.720 0.857 -18.826 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.362 0.677 -17.190 1.00 0.00 H new ATOM 1784 N MET A 114 -2.481 3.500 -13.400 1.00 0.00 N ATOM 1785 CA MET A 114 -2.828 3.257 -12.004 1.00 0.00 C ATOM 1786 C MET A 114 -3.742 2.042 -11.874 1.00 0.00 C ATOM 1787 O MET A 114 -4.460 1.898 -10.886 1.00 0.00 O ATOM 1788 CB MET A 114 -3.510 4.489 -11.405 1.00 0.00 C ATOM 1789 CG MET A 114 -4.956 4.656 -11.842 1.00 0.00 C ATOM 1790 SD MET A 114 -5.857 5.841 -10.825 1.00 0.00 S ATOM 1791 CE MET A 114 -5.868 4.993 -9.247 1.00 0.00 C ATOM 0 H MET A 114 -3.061 4.199 -13.864 1.00 0.00 H new ATOM 0 HA MET A 114 -1.907 3.057 -11.456 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.473 4.422 -10.318 1.00 0.00 H new ATOM 0 HB3 MET A 114 -2.948 5.379 -11.689 1.00 0.00 H new ATOM 0 HG2 MET A 114 -4.982 4.982 -12.882 1.00 0.00 H new ATOM 0 HG3 MET A 114 -5.458 3.690 -11.798 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.873 5.019 -8.827 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.561 3.957 -9.389 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.176 5.486 -8.564 1.00 0.00 H new ATOM 1801 N ALA A 115 -3.708 1.172 -12.879 1.00 0.00 N ATOM 1802 CA ALA A 115 -4.532 -0.030 -12.875 1.00 0.00 C ATOM 1803 C ALA A 115 -3.880 -1.139 -12.056 1.00 0.00 C ATOM 1804 O ALA A 115 -4.468 -2.202 -11.854 1.00 0.00 O ATOM 1805 CB ALA A 115 -4.783 -0.502 -14.300 1.00 0.00 C ATOM 0 H ALA A 115 -3.119 1.278 -13.705 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.487 0.215 -12.411 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.400 -1.401 -14.282 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.298 0.281 -14.857 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.831 -0.725 -14.783 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.664 -0.885 -11.586 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.932 -1.863 -10.790 1.00 0.00 C ATOM 1813 C CYS A 116 -1.989 -1.509 -9.307 1.00 0.00 C ATOM 1814 O CYS A 116 -2.154 -2.382 -8.455 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.476 -1.942 -11.252 1.00 0.00 C ATOM 1816 SG CYS A 116 -0.221 -2.971 -12.716 1.00 0.00 S ATOM 0 H CYS A 116 -2.164 -0.010 -11.743 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.403 -2.836 -10.932 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.118 -0.934 -11.462 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.132 -2.333 -10.436 1.00 0.00 H new ATOM 0 HG CYS A 116 1.040 -2.973 -13.030 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.850 -0.222 -9.006 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.884 0.248 -7.626 1.00 0.00 C ATOM 1824 C VAL A 117 -3.167 -0.190 -6.928 1.00 0.00 C ATOM 1825 O VAL A 117 -3.157 -0.525 -5.744 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.772 1.783 -7.553 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.575 2.431 -8.670 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -2.232 2.286 -6.193 1.00 0.00 C ATOM 0 H VAL A 117 -1.713 0.514 -9.699 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.027 -0.196 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.726 2.060 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.484 3.515 -8.602 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.194 2.095 -9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.624 2.149 -8.575 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.146 3.372 -6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.271 1.999 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.609 1.848 -5.413 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.270 -0.185 -7.671 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.561 -0.582 -7.123 1.00 0.00 C ATOM 1840 C GLN A 118 -5.489 -1.981 -6.518 1.00 0.00 C ATOM 1841 O GLN A 118 -6.311 -2.347 -5.679 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.635 -0.540 -8.211 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.238 0.841 -8.417 1.00 0.00 C ATOM 1844 CD GLN A 118 -7.970 1.347 -7.190 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -8.780 0.486 -6.586 1.00 0.00 O flip ATOM 1846 NE2 GLN A 118 -7.809 2.500 -6.788 1.00 0.00 N flip ATOM 0 H GLN A 118 -4.295 0.089 -8.653 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.824 0.123 -6.334 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.202 -0.882 -9.151 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.430 -1.240 -7.953 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.447 1.543 -8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.928 0.810 -9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.176 3.129 -7.283 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.308 2.826 -5.960 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.500 -2.757 -6.950 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.322 -4.115 -6.451 1.00 0.00 C ATOM 1857 C ARG A 119 -3.192 -4.174 -5.427 1.00 0.00 C ATOM 1858 O ARG A 119 -3.266 -4.917 -4.447 1.00 0.00 O ATOM 1859 CB ARG A 119 -4.026 -5.071 -7.609 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.873 -6.520 -7.178 1.00 0.00 C ATOM 1861 CD ARG A 119 -4.217 -7.477 -8.309 1.00 0.00 C ATOM 1862 NE ARG A 119 -5.657 -7.687 -8.430 1.00 0.00 N ATOM 1863 CZ ARG A 119 -6.382 -8.341 -7.529 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -5.805 -8.845 -6.447 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -7.688 -8.491 -7.709 1.00 0.00 N ATOM 0 H ARG A 119 -3.810 -2.468 -7.644 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.247 -4.421 -5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.831 -5.002 -8.341 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.112 -4.751 -8.109 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.849 -6.697 -6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.521 -6.717 -6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.828 -7.083 -9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -3.724 -8.434 -8.136 1.00 0.00 H new ATOM 0 HE ARG A 119 -6.132 -7.311 -9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -4.801 -8.731 -6.304 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.365 -9.347 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -8.136 -8.104 -8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -8.244 -8.993 -7.017 1.00 0.00 H new ATOM 1879 N THR A 120 -2.147 -3.387 -5.660 1.00 0.00 N ATOM 1880 CA THR A 120 -1.001 -3.351 -4.759 1.00 0.00 C ATOM 1881 C THR A 120 -1.443 -3.128 -3.317 1.00 0.00 C ATOM 1882 O THR A 120 -0.988 -3.819 -2.404 1.00 0.00 O ATOM 1883 CB THR A 120 -0.008 -2.243 -5.157 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.758 -2.656 -6.294 1.00 0.00 O ATOM 1885 CG2 THR A 120 0.925 -1.913 -4.002 1.00 0.00 C ATOM 0 H THR A 120 -2.070 -2.766 -6.465 1.00 0.00 H new ATOM 0 HA THR A 120 -0.505 -4.318 -4.839 1.00 0.00 H new ATOM 0 HB THR A 120 -0.578 -1.349 -5.410 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.609 -2.031 -7.034 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.617 -1.128 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.340 -1.570 -3.148 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.487 -2.804 -3.722 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.331 -2.161 -3.118 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.835 -1.848 -1.785 1.00 0.00 C ATOM 1895 C LEU A 121 -3.478 -3.074 -1.144 1.00 0.00 C ATOM 1896 O LEU A 121 -3.149 -3.441 -0.016 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.850 -0.706 -1.858 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.289 0.668 -2.228 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.389 1.718 -2.205 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -2.160 1.055 -1.285 1.00 0.00 C ATOM 0 H LEU A 121 -2.717 -1.580 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.992 -1.538 -1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.615 -0.972 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.346 -0.625 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.888 0.614 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.971 2.689 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.164 1.448 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.821 1.770 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.773 2.035 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.536 1.090 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.361 0.317 -1.352 1.00 0.00 H new ATOM 1912 N MET A 122 -4.394 -3.704 -1.872 1.00 0.00 N ATOM 1913 CA MET A 122 -5.080 -4.891 -1.375 1.00 0.00 C ATOM 1914 C MET A 122 -4.079 -5.923 -0.863 1.00 0.00 C ATOM 1915 O MET A 122 -4.216 -6.436 0.246 1.00 0.00 O ATOM 1916 CB MET A 122 -5.945 -5.505 -2.477 1.00 0.00 C ATOM 1917 CG MET A 122 -7.268 -4.785 -2.683 1.00 0.00 C ATOM 1918 SD MET A 122 -8.350 -4.895 -1.245 1.00 0.00 S ATOM 1919 CE MET A 122 -9.015 -6.546 -1.447 1.00 0.00 C ATOM 0 H MET A 122 -4.678 -3.413 -2.807 1.00 0.00 H new ATOM 0 HA MET A 122 -5.721 -4.590 -0.546 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.387 -5.497 -3.413 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.143 -6.549 -2.233 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.075 -3.736 -2.908 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.777 -5.209 -3.549 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.103 -6.508 -1.398 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.709 -6.946 -2.414 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.638 -7.190 -0.652 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.075 -6.222 -1.680 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.052 -7.193 -1.310 1.00 0.00 C ATOM 1931 C ASN A 123 -1.553 -6.944 0.110 1.00 0.00 C ATOM 1932 O ASN A 123 -1.397 -7.878 0.898 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.880 -7.131 -2.292 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.192 -7.816 -3.609 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.790 -8.892 -3.635 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -0.787 -7.194 -4.710 1.00 0.00 N ATOM 0 H ASN A 123 -2.948 -5.806 -2.603 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.499 -8.186 -1.350 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.622 -6.089 -2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -0.006 -7.600 -1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -0.968 -7.607 -5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.295 -6.303 -4.641 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.306 -5.679 0.431 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.826 -5.305 1.757 1.00 0.00 C ATOM 1945 C LEU A 124 -1.777 -5.802 2.840 1.00 0.00 C ATOM 1946 O LEU A 124 -1.347 -6.339 3.860 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.670 -3.787 1.855 1.00 0.00 C ATOM 1948 CG LEU A 124 0.126 -3.270 3.055 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.619 -3.333 2.772 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.294 -1.849 3.401 1.00 0.00 C ATOM 0 H LEU A 124 -1.430 -4.894 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 124 0.146 -5.774 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.188 -3.432 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.664 -3.341 1.884 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.088 -3.909 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.169 -2.961 3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.909 -4.365 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.851 -2.718 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.282 -1.497 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.110 -1.197 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.356 -1.833 3.647 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.074 -5.620 2.611 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.067 -6.057 3.575 1.00 0.00 C ATOM 1964 C GLY A 125 -4.089 -7.564 3.742 1.00 0.00 C ATOM 1965 O GLY A 125 -3.897 -8.076 4.843 1.00 0.00 O ATOM 0 H GLY A 125 -3.455 -5.177 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.863 -5.591 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.052 -5.715 3.258 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.327 -8.276 2.644 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.371 -9.725 2.695 1.00 0.00 C ATOM 1971 C GLY A 126 -3.175 -10.317 3.413 1.00 0.00 C ATOM 1972 O GLY A 126 -3.308 -11.285 4.164 1.00 0.00 O ATOM 0 H GLY A 126 -4.490 -7.875 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.285 -10.040 3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.413 -10.120 1.680 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.002 -9.737 3.182 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.776 -10.214 3.812 1.00 0.00 C ATOM 1978 C LEU A 127 -0.815 -9.992 5.320 1.00 0.00 C ATOM 1979 O LEU A 127 -0.573 -10.912 6.100 1.00 0.00 O ATOM 1980 CB LEU A 127 0.439 -9.504 3.212 1.00 0.00 C ATOM 1981 CG LEU A 127 0.835 -9.930 1.798 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.536 -8.791 1.074 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.725 -11.164 1.843 1.00 0.00 C ATOM 0 H LEU A 127 -1.874 -8.936 2.563 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.694 -11.284 3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.241 -8.432 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.292 -9.667 3.871 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.072 -10.180 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.810 -9.113 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.866 -7.933 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.435 -8.509 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.997 -11.453 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.628 -10.941 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.188 -11.983 2.322 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.125 -8.764 5.724 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.201 -8.422 7.139 1.00 0.00 C ATOM 1997 C ALA A 128 -2.074 -9.415 7.898 1.00 0.00 C ATOM 1998 O ALA A 128 -1.678 -9.934 8.942 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.735 -7.008 7.312 1.00 0.00 C ATOM 0 H ALA A 128 -1.327 -7.990 5.091 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.194 -8.472 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.787 -6.766 8.374 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.070 -6.304 6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.731 -6.939 6.875 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.264 -9.677 7.367 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.193 -10.609 7.995 1.00 0.00 C ATOM 2007 C VAL A 129 -3.571 -11.994 8.135 1.00 0.00 C ATOM 2008 O VAL A 129 -4.065 -12.833 8.888 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.502 -10.725 7.190 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.462 -11.690 7.868 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.142 -9.356 7.016 1.00 0.00 C ATOM 0 H VAL A 129 -3.607 -9.257 6.503 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.418 -10.213 8.985 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.267 -11.119 6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.381 -11.759 7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.000 -12.675 7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.694 -11.329 8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.065 -9.456 6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.365 -8.931 7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.455 -8.698 6.483 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.485 -12.225 7.406 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.793 -13.507 7.451 1.00 0.00 C ATOM 2023 C ALA A 130 -0.617 -13.463 8.420 1.00 0.00 C ATOM 2024 O ALA A 130 0.244 -14.342 8.406 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.319 -13.900 6.059 1.00 0.00 C ATOM 0 H ALA A 130 -2.065 -11.541 6.777 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.496 -14.259 7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.804 -14.859 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.177 -13.982 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.636 -13.140 5.679 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.587 -12.434 9.260 1.00 0.00 N ATOM 2032 CA ARG A 131 0.485 -12.275 10.235 1.00 0.00 C ATOM 2033 C ARG A 131 -0.043 -12.445 11.657 1.00 0.00 C ATOM 2034 O ARG A 131 -1.214 -12.767 11.860 1.00 0.00 O ATOM 2035 CB ARG A 131 1.140 -10.901 10.084 1.00 0.00 C ATOM 2036 CG ARG A 131 1.312 -10.463 8.639 1.00 0.00 C ATOM 2037 CD ARG A 131 2.552 -11.082 8.013 1.00 0.00 C ATOM 2038 NE ARG A 131 2.417 -12.526 7.844 1.00 0.00 N ATOM 2039 CZ ARG A 131 3.416 -13.320 7.477 1.00 0.00 C ATOM 2040 NH1 ARG A 131 4.618 -12.812 7.241 1.00 0.00 N ATOM 2041 NH2 ARG A 131 3.215 -14.625 7.344 1.00 0.00 N ATOM 0 H ARG A 131 -1.293 -11.698 9.285 1.00 0.00 H new ATOM 0 HA ARG A 131 1.230 -13.048 10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.537 -10.161 10.610 1.00 0.00 H new ATOM 0 HB3 ARG A 131 2.116 -10.918 10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.431 -10.749 8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.384 -9.376 8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.738 -10.619 7.044 1.00 0.00 H new ATOM 0 HD3 ARG A 131 3.419 -10.870 8.639 1.00 0.00 H new ATOM 0 HE ARG A 131 1.505 -12.948 8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.777 -11.809 7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 131 5.384 -13.424 6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 131 2.292 -15.020 7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 131 3.984 -15.233 7.062 1.00 0.00 H new ATOM 2055 N ASP A 132 0.828 -12.227 12.636 1.00 0.00 N ATOM 2056 CA ASP A 132 0.450 -12.356 14.038 1.00 0.00 C ATOM 2057 C ASP A 132 0.916 -11.145 14.840 1.00 0.00 C ATOM 2058 O ASP A 132 0.965 -11.184 16.070 1.00 0.00 O ATOM 2059 CB ASP A 132 1.042 -13.635 14.633 1.00 0.00 C ATOM 2060 CG ASP A 132 0.537 -14.884 13.938 1.00 0.00 C ATOM 2061 OD1 ASP A 132 -0.694 -15.013 13.769 1.00 0.00 O ATOM 2062 OD2 ASP A 132 1.372 -15.734 13.562 1.00 0.00 O ATOM 0 H ASP A 132 1.801 -11.960 12.484 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.637 -12.409 14.092 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.129 -13.597 14.561 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.795 -13.687 15.693 1.00 0.00 H new ATOM 2067 N ASP A 133 1.257 -10.072 14.136 1.00 0.00 N ATOM 2068 CA ASP A 133 1.719 -8.848 14.782 1.00 0.00 C ATOM 2069 C ASP A 133 0.633 -8.265 15.680 1.00 0.00 C ATOM 2070 O ASP A 133 0.924 -7.671 16.718 1.00 0.00 O ATOM 2071 CB ASP A 133 2.138 -7.818 13.732 1.00 0.00 C ATOM 2072 CG ASP A 133 3.179 -6.848 14.255 1.00 0.00 C ATOM 2073 OD1 ASP A 133 3.462 -6.880 15.471 1.00 0.00 O ATOM 2074 OD2 ASP A 133 3.711 -6.058 13.448 1.00 0.00 O ATOM 0 H ASP A 133 1.222 -10.024 13.118 1.00 0.00 H new ATOM 0 HA ASP A 133 2.582 -9.096 15.400 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.534 -8.335 12.858 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.260 -7.262 13.403 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.621 -8.437 15.273 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.731 -7.921 16.052 1.00 0.00 C ATOM 2081 C GLY A 134 -1.833 -6.410 15.985 1.00 0.00 C ATOM 2082 O GLY A 134 -2.036 -5.748 17.004 1.00 0.00 O ATOM 0 H GLY A 134 -0.888 -8.925 14.418 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.660 -8.361 15.691 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.616 -8.229 17.091 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.689 -5.861 14.784 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.765 -4.418 14.588 1.00 0.00 C ATOM 2088 C LEU A 135 -2.774 -4.068 13.498 1.00 0.00 C ATOM 2089 O LEU A 135 -3.468 -3.054 13.582 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.388 -3.860 14.222 1.00 0.00 C ATOM 2091 CG LEU A 135 0.737 -4.145 15.217 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.057 -3.591 14.703 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.405 -3.556 16.580 1.00 0.00 C ATOM 0 H LEU A 135 -1.519 -6.394 13.931 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.097 -3.967 15.523 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.100 -4.266 13.252 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.476 -2.780 14.103 1.00 0.00 H new ATOM 0 HG LEU A 135 0.836 -5.225 15.324 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.846 -3.803 15.424 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.301 -4.059 13.749 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.971 -2.513 14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.217 -3.768 17.276 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.278 -2.477 16.489 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.518 -4.000 16.953 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.851 -4.914 12.477 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.776 -4.696 11.371 1.00 0.00 C ATOM 2107 C PHE A 136 -5.133 -4.219 11.883 1.00 0.00 C ATOM 2108 O PHE A 136 -5.614 -4.679 12.918 1.00 0.00 O ATOM 2109 CB PHE A 136 -3.947 -5.981 10.560 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.276 -6.080 9.866 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.379 -6.600 10.525 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.422 -5.653 8.556 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.603 -6.693 9.889 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.644 -5.743 7.915 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.735 -6.262 8.583 1.00 0.00 C ATOM 0 H PHE A 136 -2.284 -5.757 12.392 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.358 -3.922 10.727 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.152 -6.040 9.816 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.828 -6.838 11.223 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.281 -6.936 11.547 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.572 -5.245 8.030 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.455 -7.102 10.412 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.745 -5.408 6.893 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.691 -6.331 8.085 1.00 0.00 H new ATOM 2125 N SER A 137 -5.744 -3.295 11.149 1.00 0.00 N ATOM 2126 CA SER A 137 -7.042 -2.752 11.530 1.00 0.00 C ATOM 2127 C SER A 137 -8.076 -2.998 10.435 1.00 0.00 C ATOM 2128 O SER A 137 -7.747 -3.481 9.353 1.00 0.00 O ATOM 2129 CB SER A 137 -6.929 -1.253 11.812 1.00 0.00 C ATOM 2130 OG SER A 137 -6.628 -1.012 13.176 1.00 0.00 O ATOM 0 H SER A 137 -5.361 -2.907 10.287 1.00 0.00 H new ATOM 0 HA SER A 137 -7.369 -3.261 12.436 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.152 -0.819 11.183 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.865 -0.759 11.550 1.00 0.00 H new ATOM 0 HG SER A 137 -6.559 -0.047 13.330 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.329 -2.661 10.726 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.393 -2.853 9.758 1.00 0.00 C ATOM 2138 C GLY A 138 -10.987 -4.246 9.818 1.00 0.00 C ATOM 2139 O GLY A 138 -10.613 -5.052 10.670 1.00 0.00 O ATOM 0 H GLY A 138 -9.626 -2.258 11.615 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.179 -2.118 9.936 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.006 -2.669 8.756 1.00 0.00 H new ATOM 2143 N ASP A 139 -11.916 -4.530 8.912 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.564 -5.836 8.865 1.00 0.00 C ATOM 2145 C ASP A 139 -11.662 -6.866 8.193 1.00 0.00 C ATOM 2146 O ASP A 139 -11.131 -6.647 7.104 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.896 -5.741 8.118 1.00 0.00 C ATOM 2148 CG ASP A 139 -15.049 -5.384 9.035 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -14.949 -4.359 9.741 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -16.052 -6.129 9.046 1.00 0.00 O ATOM 0 H ASP A 139 -12.237 -3.874 8.200 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.753 -6.158 9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.815 -4.991 7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -14.105 -6.693 7.630 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.483 -8.018 8.856 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.645 -9.105 8.342 1.00 0.00 C ATOM 2157 C PRO A 140 -11.262 -9.788 7.126 1.00 0.00 C ATOM 2158 O PRO A 140 -10.643 -10.653 6.507 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.566 -10.080 9.520 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.800 -9.817 10.312 1.00 0.00 C ATOM 2161 CD PRO A 140 -12.085 -8.348 10.159 1.00 0.00 C ATOM 0 HA PRO A 140 -9.674 -8.745 8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.529 -11.114 9.177 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.669 -9.909 10.116 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.634 -10.416 9.946 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.654 -10.079 11.360 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.155 -8.143 10.171 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.640 -7.766 10.966 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.485 -9.393 6.789 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.186 -9.967 5.646 1.00 0.00 C ATOM 2171 C ASN A 141 -12.726 -9.319 4.344 1.00 0.00 C ATOM 2172 O ASN A 141 -12.515 -10.000 3.340 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.698 -9.794 5.809 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.257 -10.633 6.941 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -15.648 -11.784 6.742 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -15.298 -10.060 8.138 1.00 0.00 N ATOM 0 H ASN A 141 -13.011 -8.678 7.291 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.951 -11.031 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.923 -8.744 5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.195 -10.068 4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.664 -10.576 8.938 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -14.963 -9.104 8.257 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.572 -8.000 4.368 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.137 -7.260 3.190 1.00 0.00 C ATOM 2185 C TRP A 142 -11.062 -8.029 2.430 1.00 0.00 C ATOM 2186 O TRP A 142 -11.145 -8.192 1.212 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.606 -5.883 3.594 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.668 -4.973 4.133 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.001 -5.004 3.840 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.484 -3.895 5.058 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.657 -4.011 4.526 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.749 -3.317 5.281 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.374 -3.364 5.721 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -13.932 -2.235 6.138 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.557 -2.289 6.570 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -12.828 -1.735 6.773 1.00 0.00 C ATOM 0 H TRP A 142 -12.742 -7.421 5.191 1.00 0.00 H new ATOM 0 HA TRP A 142 -12.998 -7.132 2.534 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.828 -6.008 4.347 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.139 -5.413 2.728 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.471 -5.706 3.167 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.658 -3.821 4.481 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.391 -3.786 5.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -14.910 -1.806 6.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.706 -1.869 7.086 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -12.938 -0.896 7.444 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.053 -8.501 3.156 1.00 0.00 N ATOM 2208 CA PHE A 143 -8.961 -9.253 2.549 1.00 0.00 C ATOM 2209 C PHE A 143 -8.985 -10.709 3.004 1.00 0.00 C ATOM 2210 O PHE A 143 -9.044 -11.012 4.196 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.616 -8.617 2.906 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.656 -7.116 2.954 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.167 -6.459 4.062 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.184 -6.363 1.892 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.205 -5.079 4.111 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.220 -4.982 1.935 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.732 -4.339 3.045 1.00 0.00 C ATOM 0 H PHE A 143 -9.969 -8.376 4.165 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.092 -9.227 1.467 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.290 -8.995 3.875 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.870 -8.929 2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.540 -7.033 4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -6.783 -6.860 1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.604 -4.580 4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -6.848 -4.406 1.101 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.762 -3.260 3.079 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.938 -11.633 2.033 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.953 -13.073 2.309 1.00 0.00 C ATOM 2229 C PRO A 144 -7.661 -13.551 2.961 1.00 0.00 C ATOM 2230 O PRO A 144 -6.663 -12.831 2.989 1.00 0.00 O ATOM 2231 CB PRO A 144 -9.116 -13.698 0.921 1.00 0.00 C ATOM 2232 CG PRO A 144 -8.561 -12.684 -0.018 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.867 -11.343 0.591 1.00 0.00 C ATOM 0 HA PRO A 144 -9.742 -13.346 3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -8.578 -14.643 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -10.163 -13.909 0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -7.487 -12.818 -0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -9.014 -12.777 -1.005 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.090 -10.612 0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.806 -10.936 0.216 1.00 0.00 H new