USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1292 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: B 44 THR OG1 : rot -8:sc= 1.84 USER MOD Set 1.2: D 53 THR OG1 : rot 58:sc= -0.041 USER MOD Set 2.1: B 45 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: D 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 53 THR OG1 : rot 62:sc= -0.0652 USER MOD Set 3.2: D 44 THR OG1 : rot 0:sc= 1.87 USER MOD Set 4.1: B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: D 45 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 53 THR OG1 : rot 57:sc= 0.0476 USER MOD Set 5.2: C 44 THR OG1 : rot 11:sc= 1.69 USER MOD Set 6.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: C 45 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: C 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.1: A 44 THR OG1 : rot 5:sc= 1.81 USER MOD Set 8.2: C 53 THR OG1 : rot 59:sc= -0.0474 USER MOD Single : A 1 MET CE :methyl 144:sc= -2.38 (180deg=-2.83) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.74 X(o=-0.74,f=-1.2) USER MOD Single : A 3 TYR OH : rot -71:sc= -1.92! USER MOD Single : A 4 LYS NZ :NH3+ 179:sc= 0.832 (180deg=0.831) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0892 USER MOD Single : A 28 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.036) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.31) USER MOD Single : A 35 ASN : amide:sc= -4.33 K(o=-4.3,f=-2.4) USER MOD Single : A 37 ASN : amide:sc= -5.71! C(o=-5.7!,f=-11!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 161:sc= -1.17 USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.329 USER MOD Single : B 1 MET CE :methyl 146:sc= -2.42 (180deg=-2.85) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= -0.794 K(o=-0.79,f=-1.3) USER MOD Single : B 3 TYR OH : rot -74:sc= -2.09! USER MOD Single : B 4 LYS NZ :NH3+ 177:sc= 0.819 (180deg=0.814) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : B 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.032) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.0358 X(o=-0.036,f=-0.33) USER MOD Single : B 35 ASN : amide:sc= -4.37 K(o=-4.4,f=-2.3) USER MOD Single : B 37 ASN : amide:sc= -5.59! C(o=-5.6!,f=-11!) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 158:sc= -1.2 USER MOD Single : B 55 THR OG1 : rot -170:sc= -0.322 USER MOD Single : C 1 MET CE :methyl 150:sc= -2.34 (180deg=-2.85) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 2 GLN : amide:sc= -0.85 X(o=-0.85,f=-1.3) USER MOD Single : C 3 TYR OH : rot -67:sc= -1.94! USER MOD Single : C 4 LYS NZ :NH3+ 177:sc= 0.796 (180deg=0.789) USER MOD Single : C 25 THR OG1 : rot 180:sc= -0.104 USER MOD Single : C 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.025) USER MOD Single : C 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 32 GLN : amide:sc= -0.0293 X(o=-0.029,f=-0.36) USER MOD Single : C 35 ASN : amide:sc= -4.35! K(o=-4.3!,f=-2.3) USER MOD Single : C 37 ASN : amide:sc= -5.65! C(o=-5.7!,f=-10!) USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 51 THR OG1 : rot 162:sc= -1.17 USER MOD Single : C 55 THR OG1 : rot -170:sc= -0.323 USER MOD Single : D 1 MET CE :methyl 146:sc= -2.4 (180deg=-2.77) USER MOD Single : D 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 2 GLN : amide:sc= -0.872 X(o=-0.87,f=-1.3) USER MOD Single : D 3 TYR OH : rot -71:sc= -1.87! USER MOD Single : D 4 LYS NZ :NH3+ 177:sc= 0.811 (180deg=0.807) USER MOD Single : D 25 THR OG1 : rot 180:sc= -0.101 USER MOD Single : D 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0359) USER MOD Single : D 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 32 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.29) USER MOD Single : D 35 ASN : amide:sc= -4.2! K(o=-4.2!,f=-2.3) USER MOD Single : D 37 ASN : amide:sc= -5.66! C(o=-5.7!,f=-11!) USER MOD Single : D 49 THR OG1 : rot 180:sc= 0 USER MOD Single : D 51 THR OG1 : rot 162:sc= -1.31 USER MOD Single : D 55 THR OG1 : rot -170:sc= -0.309 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.410 20.220 -0.238 1.00 0.00 N ATOM 2 CA MET A 1 9.585 19.812 0.929 1.00 0.00 C ATOM 3 C MET A 1 8.126 19.622 0.530 1.00 0.00 C ATOM 4 O MET A 1 7.450 20.573 0.140 1.00 0.00 O ATOM 5 CB MET A 1 9.706 20.888 2.012 1.00 0.00 C ATOM 6 CG MET A 1 9.838 20.326 3.418 1.00 0.00 C ATOM 7 SD MET A 1 8.248 19.878 4.139 1.00 0.00 S ATOM 8 CE MET A 1 8.303 18.093 3.999 1.00 0.00 C ATOM 0 H1 MET A 1 11.398 20.342 0.061 1.00 0.00 H new ATOM 0 H2 MET A 1 10.359 19.486 -0.973 1.00 0.00 H new ATOM 0 H3 MET A 1 10.050 21.118 -0.620 1.00 0.00 H new ATOM 0 HA MET A 1 9.947 18.857 1.310 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.573 21.512 1.797 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.829 21.535 1.969 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.482 19.447 3.395 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.327 21.063 4.055 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.820 17.645 4.867 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.782 17.783 3.093 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.341 17.764 3.951 1.00 0.00 H new ATOM 20 N GLN A 2 7.646 18.387 0.637 1.00 0.00 N ATOM 21 CA GLN A 2 6.265 18.071 0.291 1.00 0.00 C ATOM 22 C GLN A 2 5.353 18.290 1.491 1.00 0.00 C ATOM 23 O GLN A 2 5.582 17.737 2.566 1.00 0.00 O ATOM 24 CB GLN A 2 6.154 16.623 -0.194 1.00 0.00 C ATOM 25 CG GLN A 2 4.807 16.290 -0.815 1.00 0.00 C ATOM 26 CD GLN A 2 4.671 14.819 -1.158 1.00 0.00 C ATOM 27 OE1 GLN A 2 3.822 14.117 -0.609 1.00 0.00 O ATOM 28 NE2 GLN A 2 5.511 14.344 -2.071 1.00 0.00 N ATOM 0 H GLN A 2 8.193 17.589 0.960 1.00 0.00 H new ATOM 0 HA GLN A 2 5.952 18.736 -0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.939 16.433 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.333 15.953 0.647 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.013 16.573 -0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.671 16.884 -1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.200 14.962 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.467 13.362 -2.342 1.00 0.00 H new ATOM 37 N TYR A 3 4.327 19.115 1.307 1.00 0.00 N ATOM 38 CA TYR A 3 3.396 19.421 2.385 1.00 0.00 C ATOM 39 C TYR A 3 2.030 18.782 2.157 1.00 0.00 C ATOM 40 O TYR A 3 1.401 18.974 1.115 1.00 0.00 O ATOM 41 CB TYR A 3 3.248 20.934 2.543 1.00 0.00 C ATOM 42 CG TYR A 3 4.380 21.570 3.316 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.431 21.487 4.702 1.00 0.00 C ATOM 44 CD2 TYR A 3 5.400 22.249 2.663 1.00 0.00 C ATOM 45 CE1 TYR A 3 5.466 22.063 5.415 1.00 0.00 C ATOM 46 CE2 TYR A 3 6.439 22.828 3.368 1.00 0.00 C ATOM 47 CZ TYR A 3 6.467 22.732 4.743 1.00 0.00 C ATOM 48 OH TYR A 3 7.499 23.307 5.449 1.00 0.00 O ATOM 0 H TYR A 3 4.120 19.582 0.424 1.00 0.00 H new ATOM 0 HA TYR A 3 3.808 19.000 3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.191 21.391 1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.307 21.149 3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.649 20.964 5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 3 5.382 22.326 1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.490 21.989 6.492 1.00 0.00 H new ATOM 0 HE2 TYR A 3 7.224 23.353 2.844 1.00 0.00 H new ATOM 0 HH TYR A 3 7.167 24.092 5.933 1.00 0.00 H new ATOM 58 N LYS A 4 1.584 18.027 3.153 1.00 0.00 N ATOM 59 CA LYS A 4 0.293 17.354 3.096 1.00 0.00 C ATOM 60 C LYS A 4 -0.712 18.047 4.012 1.00 0.00 C ATOM 61 O LYS A 4 -0.491 18.163 5.217 1.00 0.00 O ATOM 62 CB LYS A 4 0.438 15.881 3.488 1.00 0.00 C ATOM 63 CG LYS A 4 0.427 14.932 2.301 1.00 0.00 C ATOM 64 CD LYS A 4 0.941 13.552 2.681 1.00 0.00 C ATOM 65 CE LYS A 4 -0.152 12.706 3.313 1.00 0.00 C ATOM 66 NZ LYS A 4 0.359 11.380 3.758 1.00 0.00 N ATOM 0 H LYS A 4 2.102 17.865 4.016 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.076 17.407 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.370 15.750 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.373 15.612 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.587 14.848 1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.043 15.342 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.325 13.049 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.774 13.652 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -0.574 13.237 4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.960 12.562 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.413 10.840 4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.724 10.855 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.124 11.517 4.449 1.00 0.00 H new ATOM 80 N VAL A 5 -1.813 18.516 3.430 1.00 0.00 N ATOM 81 CA VAL A 5 -2.842 19.209 4.197 1.00 0.00 C ATOM 82 C VAL A 5 -4.244 18.839 3.724 1.00 0.00 C ATOM 83 O VAL A 5 -4.546 18.900 2.532 1.00 0.00 O ATOM 84 CB VAL A 5 -2.673 20.738 4.108 1.00 0.00 C ATOM 85 CG1 VAL A 5 -3.616 21.439 5.072 1.00 0.00 C ATOM 86 CG2 VAL A 5 -1.230 21.134 4.380 1.00 0.00 C ATOM 0 H VAL A 5 -2.014 18.429 2.434 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.721 18.891 5.233 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.927 21.053 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.481 22.518 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.646 21.183 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.398 21.119 6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.131 22.217 4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.945 20.805 5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.579 20.664 3.643 1.00 0.00 H new ATOM 96 N ILE A 6 -5.094 18.461 4.672 1.00 0.00 N ATOM 97 CA ILE A 6 -6.469 18.083 4.367 1.00 0.00 C ATOM 98 C ILE A 6 -7.403 19.283 4.490 1.00 0.00 C ATOM 99 O ILE A 6 -7.559 19.848 5.572 1.00 0.00 O ATOM 100 CB ILE A 6 -6.962 16.964 5.304 1.00 0.00 C ATOM 101 CG1 ILE A 6 -5.941 15.826 5.362 1.00 0.00 C ATOM 102 CG2 ILE A 6 -8.317 16.444 4.847 1.00 0.00 C ATOM 103 CD1 ILE A 6 -6.311 14.728 6.334 1.00 0.00 C ATOM 0 H ILE A 6 -4.854 18.408 5.662 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.481 17.718 3.340 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.073 17.377 6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.832 15.396 4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.970 16.235 5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.650 15.654 5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.041 17.258 4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.232 16.046 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.541 13.956 6.321 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.392 15.143 7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.267 14.292 6.044 1.00 0.00 H new ATOM 115 N LEU A 7 -8.025 19.668 3.378 1.00 0.00 N ATOM 116 CA LEU A 7 -8.946 20.800 3.375 1.00 0.00 C ATOM 117 C LEU A 7 -10.225 20.463 2.613 1.00 0.00 C ATOM 118 O LEU A 7 -10.207 20.298 1.392 1.00 0.00 O ATOM 119 CB LEU A 7 -8.274 22.026 2.748 1.00 0.00 C ATOM 120 CG LEU A 7 -8.690 23.374 3.345 1.00 0.00 C ATOM 121 CD1 LEU A 7 -8.093 23.547 4.733 1.00 0.00 C ATOM 122 CD2 LEU A 7 -8.266 24.517 2.434 1.00 0.00 C ATOM 0 H LEU A 7 -7.908 19.215 2.472 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.210 21.024 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.194 21.920 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.495 22.036 1.681 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.776 23.391 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.398 24.510 5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.447 22.747 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.006 23.508 4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.570 25.466 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.183 24.504 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.741 24.401 1.460 1.00 0.00 H new ATOM 337 N ASP A 22 -12.431 25.163 2.647 1.00 0.00 N ATOM 338 CA ASP A 22 -12.913 24.667 1.363 1.00 0.00 C ATOM 339 C ASP A 22 -11.767 24.387 0.403 1.00 0.00 C ATOM 340 O ASP A 22 -10.779 25.116 0.356 1.00 0.00 O ATOM 341 CB ASP A 22 -13.876 25.677 0.737 1.00 0.00 C ATOM 342 CG ASP A 22 -14.756 25.053 -0.329 1.00 0.00 C ATOM 343 OD1 ASP A 22 -14.271 24.865 -1.465 1.00 0.00 O ATOM 344 OD2 ASP A 22 -15.930 24.751 -0.028 1.00 0.00 O ATOM 0 HA ASP A 22 -13.435 23.728 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.504 26.107 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.305 26.496 0.299 1.00 0.00 H new ATOM 349 N ALA A 23 -11.919 23.318 -0.366 1.00 0.00 N ATOM 350 CA ALA A 23 -10.916 22.916 -1.340 1.00 0.00 C ATOM 351 C ALA A 23 -10.567 24.069 -2.281 1.00 0.00 C ATOM 352 O ALA A 23 -9.400 24.292 -2.598 1.00 0.00 O ATOM 353 CB ALA A 23 -11.426 21.715 -2.116 1.00 0.00 C ATOM 0 H ALA A 23 -12.736 22.709 -0.332 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.001 22.641 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.678 21.410 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.618 20.892 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.350 21.980 -2.631 1.00 0.00 H new ATOM 359 N ALA A 24 -11.590 24.800 -2.719 1.00 0.00 N ATOM 360 CA ALA A 24 -11.395 25.935 -3.615 1.00 0.00 C ATOM 361 C ALA A 24 -10.633 27.057 -2.917 1.00 0.00 C ATOM 362 O ALA A 24 -9.869 27.789 -3.547 1.00 0.00 O ATOM 363 CB ALA A 24 -12.736 26.441 -4.125 1.00 0.00 C ATOM 0 H ALA A 24 -12.563 24.625 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.800 25.600 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.575 27.288 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.244 25.643 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.351 26.755 -3.282 1.00 0.00 H new ATOM 369 N THR A 25 -10.843 27.179 -1.611 1.00 0.00 N ATOM 370 CA THR A 25 -10.176 28.204 -0.817 1.00 0.00 C ATOM 371 C THR A 25 -8.667 27.983 -0.836 1.00 0.00 C ATOM 372 O THR A 25 -7.887 28.934 -0.867 1.00 0.00 O ATOM 373 CB THR A 25 -10.705 28.178 0.622 1.00 0.00 C ATOM 374 OG1 THR A 25 -12.057 28.596 0.662 1.00 0.00 O ATOM 375 CG2 THR A 25 -9.928 29.057 1.578 1.00 0.00 C ATOM 0 H THR A 25 -11.472 26.578 -1.078 1.00 0.00 H new ATOM 0 HA THR A 25 -10.387 29.182 -1.249 1.00 0.00 H new ATOM 0 HB THR A 25 -10.593 27.143 0.945 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.380 28.572 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.363 28.984 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.889 28.729 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.971 30.092 1.238 1.00 0.00 H new ATOM 383 N PHE A 26 -8.270 26.716 -0.833 1.00 0.00 N ATOM 384 CA PHE A 26 -6.859 26.353 -0.867 1.00 0.00 C ATOM 385 C PHE A 26 -6.218 26.794 -2.179 1.00 0.00 C ATOM 386 O PHE A 26 -5.136 27.380 -2.189 1.00 0.00 O ATOM 387 CB PHE A 26 -6.692 24.843 -0.690 1.00 0.00 C ATOM 388 CG PHE A 26 -5.292 24.436 -0.332 1.00 0.00 C ATOM 389 CD1 PHE A 26 -4.775 24.715 0.923 1.00 0.00 C ATOM 390 CD2 PHE A 26 -4.491 23.775 -1.250 1.00 0.00 C ATOM 391 CE1 PHE A 26 -3.487 24.342 1.256 1.00 0.00 C ATOM 392 CE2 PHE A 26 -3.202 23.400 -0.923 1.00 0.00 C ATOM 393 CZ PHE A 26 -2.700 23.684 0.332 1.00 0.00 C ATOM 0 H PHE A 26 -8.908 25.921 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.359 26.865 -0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.373 24.498 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.983 24.342 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.386 25.230 1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.879 23.550 -2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.096 24.565 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.588 22.886 -1.648 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.693 23.392 0.590 1.00 0.00 H new ATOM 403 N GLU A 27 -6.891 26.496 -3.287 1.00 0.00 N ATOM 404 CA GLU A 27 -6.387 26.846 -4.612 1.00 0.00 C ATOM 405 C GLU A 27 -6.175 28.352 -4.761 1.00 0.00 C ATOM 406 O GLU A 27 -5.126 28.794 -5.228 1.00 0.00 O ATOM 407 CB GLU A 27 -7.353 26.351 -5.691 1.00 0.00 C ATOM 408 CG GLU A 27 -7.519 24.841 -5.714 1.00 0.00 C ATOM 409 CD GLU A 27 -8.353 24.363 -6.887 1.00 0.00 C ATOM 410 OE1 GLU A 27 -7.971 24.647 -8.042 1.00 0.00 O ATOM 411 OE2 GLU A 27 -9.389 23.705 -6.651 1.00 0.00 O ATOM 0 H GLU A 27 -7.789 26.012 -3.294 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.420 26.358 -4.733 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.328 26.813 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.997 26.684 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.536 24.372 -5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.987 24.517 -4.784 1.00 0.00 H new ATOM 418 N LYS A 28 -7.186 29.133 -4.393 1.00 0.00 N ATOM 419 CA LYS A 28 -7.116 30.586 -4.522 1.00 0.00 C ATOM 420 C LYS A 28 -6.079 31.210 -3.585 1.00 0.00 C ATOM 421 O LYS A 28 -5.253 32.012 -4.020 1.00 0.00 O ATOM 422 CB LYS A 28 -8.489 31.205 -4.256 1.00 0.00 C ATOM 423 CG LYS A 28 -8.571 32.679 -4.619 1.00 0.00 C ATOM 424 CD LYS A 28 -10.004 33.185 -4.578 1.00 0.00 C ATOM 425 CE LYS A 28 -10.742 32.878 -5.871 1.00 0.00 C ATOM 426 NZ LYS A 28 -10.336 33.793 -6.973 1.00 0.00 N ATOM 0 H LYS A 28 -8.062 28.786 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.803 30.799 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.242 30.657 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.735 31.085 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.959 33.259 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.158 32.833 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.529 32.726 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.006 34.261 -4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.546 31.847 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.816 32.964 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.955 33.642 -7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.419 34.779 -6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.350 33.598 -7.241 1.00 0.00 H new ATOM 440 N VAL A 29 -6.125 30.853 -2.305 1.00 0.00 N ATOM 441 CA VAL A 29 -5.184 31.399 -1.326 1.00 0.00 C ATOM 442 C VAL A 29 -3.741 30.997 -1.623 1.00 0.00 C ATOM 443 O VAL A 29 -2.828 31.814 -1.515 1.00 0.00 O ATOM 444 CB VAL A 29 -5.536 30.947 0.104 1.00 0.00 C ATOM 445 CG1 VAL A 29 -4.548 31.524 1.111 1.00 0.00 C ATOM 446 CG2 VAL A 29 -6.961 31.349 0.456 1.00 0.00 C ATOM 0 H VAL A 29 -6.799 30.191 -1.920 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.270 32.483 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.467 29.860 0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.815 31.192 2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.542 31.180 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.579 32.613 1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.192 31.021 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.059 32.433 0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.654 30.881 -0.243 1.00 0.00 H new ATOM 456 N VAL A 30 -3.543 29.733 -1.972 1.00 0.00 N ATOM 457 CA VAL A 30 -2.207 29.220 -2.255 1.00 0.00 C ATOM 458 C VAL A 30 -1.637 29.790 -3.550 1.00 0.00 C ATOM 459 O VAL A 30 -0.481 30.209 -3.589 1.00 0.00 O ATOM 460 CB VAL A 30 -2.195 27.678 -2.306 1.00 0.00 C ATOM 461 CG1 VAL A 30 -0.797 27.150 -2.598 1.00 0.00 C ATOM 462 CG2 VAL A 30 -2.718 27.107 -0.996 1.00 0.00 C ATOM 0 H VAL A 30 -4.289 29.044 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.569 29.547 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.849 27.358 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.818 26.061 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.457 27.533 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.113 27.478 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.705 26.018 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.085 27.442 -0.174 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.739 27.451 -0.831 1.00 0.00 H new ATOM 472 N LYS A 31 -2.440 29.815 -4.609 1.00 0.00 N ATOM 473 CA LYS A 31 -1.982 30.349 -5.884 1.00 0.00 C ATOM 474 C LYS A 31 -1.693 31.842 -5.767 1.00 0.00 C ATOM 475 O LYS A 31 -0.669 32.329 -6.245 1.00 0.00 O ATOM 476 CB LYS A 31 -3.030 30.105 -6.972 1.00 0.00 C ATOM 477 CG LYS A 31 -2.581 30.536 -8.360 1.00 0.00 C ATOM 478 CD LYS A 31 -3.760 30.674 -9.310 1.00 0.00 C ATOM 479 CE LYS A 31 -3.323 31.203 -10.666 1.00 0.00 C ATOM 480 NZ LYS A 31 -4.452 31.245 -11.636 1.00 0.00 N ATOM 0 H LYS A 31 -3.402 29.475 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.061 29.834 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.279 29.044 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.943 30.641 -6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.053 31.487 -8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.875 29.807 -8.758 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.244 29.705 -9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.501 31.347 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.908 32.204 -10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.527 30.572 -11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.113 31.611 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.832 30.286 -11.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.201 31.867 -11.270 1.00 0.00 H new ATOM 494 N GLN A 32 -2.602 32.562 -5.121 1.00 0.00 N ATOM 495 CA GLN A 32 -2.451 34.000 -4.933 1.00 0.00 C ATOM 496 C GLN A 32 -1.246 34.324 -4.052 1.00 0.00 C ATOM 497 O GLN A 32 -0.478 35.239 -4.352 1.00 0.00 O ATOM 498 CB GLN A 32 -3.721 34.591 -4.318 1.00 0.00 C ATOM 499 CG GLN A 32 -3.784 36.107 -4.397 1.00 0.00 C ATOM 500 CD GLN A 32 -4.395 36.599 -5.695 1.00 0.00 C ATOM 501 OE1 GLN A 32 -5.446 36.120 -6.120 1.00 0.00 O ATOM 502 NE2 GLN A 32 -3.737 37.560 -6.334 1.00 0.00 N ATOM 0 H GLN A 32 -3.454 32.172 -4.717 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.284 34.447 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.590 34.172 -4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.785 34.287 -3.273 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.367 36.487 -3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.778 36.514 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.869 37.929 -5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.100 37.929 -7.213 1.00 0.00 H new ATOM 511 N PHE A 33 -1.084 33.573 -2.966 1.00 0.00 N ATOM 512 CA PHE A 33 0.025 33.773 -2.039 1.00 0.00 C ATOM 513 C PHE A 33 1.386 33.432 -2.651 1.00 0.00 C ATOM 514 O PHE A 33 2.340 34.196 -2.509 1.00 0.00 O ATOM 515 CB PHE A 33 -0.252 32.978 -0.753 1.00 0.00 C ATOM 516 CG PHE A 33 0.954 32.620 0.071 1.00 0.00 C ATOM 517 CD1 PHE A 33 1.813 33.589 0.565 1.00 0.00 C ATOM 518 CD2 PHE A 33 1.199 31.292 0.379 1.00 0.00 C ATOM 519 CE1 PHE A 33 2.904 33.233 1.343 1.00 0.00 C ATOM 520 CE2 PHE A 33 2.284 30.931 1.152 1.00 0.00 C ATOM 521 CZ PHE A 33 3.138 31.900 1.635 1.00 0.00 C ATOM 0 H PHE A 33 -1.713 32.814 -2.705 1.00 0.00 H new ATOM 0 HA PHE A 33 0.087 34.834 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.934 33.557 -0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.770 32.058 -1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.631 34.630 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.531 30.528 0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 33 3.570 33.994 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.464 29.890 1.378 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.988 31.620 2.240 1.00 0.00 H new ATOM 531 N PHE A 34 1.480 32.289 -3.317 1.00 0.00 N ATOM 532 CA PHE A 34 2.741 31.872 -3.926 1.00 0.00 C ATOM 533 C PHE A 34 3.034 32.592 -5.249 1.00 0.00 C ATOM 534 O PHE A 34 4.195 32.844 -5.571 1.00 0.00 O ATOM 535 CB PHE A 34 2.781 30.354 -4.083 1.00 0.00 C ATOM 536 CG PHE A 34 3.057 29.667 -2.774 1.00 0.00 C ATOM 537 CD1 PHE A 34 4.210 29.958 -2.063 1.00 0.00 C ATOM 538 CD2 PHE A 34 2.157 28.758 -2.238 1.00 0.00 C ATOM 539 CE1 PHE A 34 4.467 29.355 -0.848 1.00 0.00 C ATOM 540 CE2 PHE A 34 2.407 28.153 -1.018 1.00 0.00 C ATOM 541 CZ PHE A 34 3.565 28.451 -0.323 1.00 0.00 C ATOM 0 H PHE A 34 0.707 31.637 -3.450 1.00 0.00 H new ATOM 0 HA PHE A 34 3.541 32.169 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.830 30.004 -4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.551 30.083 -4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.918 30.667 -2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.252 28.520 -2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.373 29.590 -0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.698 27.448 -0.609 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.763 27.978 0.627 1.00 0.00 H new ATOM 551 N ASN A 35 1.995 32.941 -6.009 1.00 0.00 N ATOM 552 CA ASN A 35 2.196 33.651 -7.280 1.00 0.00 C ATOM 553 C ASN A 35 3.040 34.913 -7.078 1.00 0.00 C ATOM 554 O ASN A 35 3.765 35.340 -7.977 1.00 0.00 O ATOM 555 CB ASN A 35 0.855 34.005 -7.940 1.00 0.00 C ATOM 556 CG ASN A 35 0.251 32.855 -8.737 1.00 0.00 C ATOM 557 OD1 ASN A 35 -0.482 33.080 -9.700 1.00 0.00 O ATOM 558 ND2 ASN A 35 0.558 31.620 -8.353 1.00 0.00 N ATOM 0 H ASN A 35 1.021 32.749 -5.775 1.00 0.00 H new ATOM 0 HA ASN A 35 2.736 32.979 -7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.149 34.313 -7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.998 34.860 -8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.183 30.820 -8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.169 31.473 -7.550 1.00 0.00 H new ATOM 565 N ASP A 36 2.944 35.494 -5.887 1.00 0.00 N ATOM 566 CA ASP A 36 3.695 36.698 -5.533 1.00 0.00 C ATOM 567 C ASP A 36 5.211 36.466 -5.589 1.00 0.00 C ATOM 568 O ASP A 36 5.991 37.418 -5.628 1.00 0.00 O ATOM 569 CB ASP A 36 3.290 37.188 -4.141 1.00 0.00 C ATOM 570 CG ASP A 36 1.793 37.397 -4.018 1.00 0.00 C ATOM 571 OD1 ASP A 36 1.153 37.720 -5.040 1.00 0.00 O ATOM 572 OD2 ASP A 36 1.260 37.238 -2.899 1.00 0.00 O ATOM 0 H ASP A 36 2.345 35.146 -5.139 1.00 0.00 H new ATOM 0 HA ASP A 36 3.450 37.462 -6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.616 36.464 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.804 38.124 -3.924 1.00 0.00 H new ATOM 577 N ASN A 37 5.618 35.198 -5.583 1.00 0.00 N ATOM 578 CA ASN A 37 7.040 34.858 -5.626 1.00 0.00 C ATOM 579 C ASN A 37 7.477 34.376 -7.011 1.00 0.00 C ATOM 580 O ASN A 37 8.667 34.397 -7.329 1.00 0.00 O ATOM 581 CB ASN A 37 7.384 33.812 -4.560 1.00 0.00 C ATOM 582 CG ASN A 37 6.894 32.423 -4.912 1.00 0.00 C ATOM 583 OD1 ASN A 37 7.289 31.851 -5.928 1.00 0.00 O ATOM 584 ND2 ASN A 37 6.032 31.872 -4.068 1.00 0.00 N ATOM 0 H ASN A 37 4.990 34.395 -5.549 1.00 0.00 H new ATOM 0 HA ASN A 37 7.592 35.773 -5.411 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.465 33.785 -4.421 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.948 34.115 -3.608 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.668 30.936 -4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.733 32.384 -3.238 1.00 0.00 H new ATOM 591 N GLY A 38 6.523 33.957 -7.840 1.00 0.00 N ATOM 592 CA GLY A 38 6.865 33.503 -9.180 1.00 0.00 C ATOM 593 C GLY A 38 6.294 32.139 -9.533 1.00 0.00 C ATOM 594 O GLY A 38 6.725 31.519 -10.506 1.00 0.00 O ATOM 0 H GLY A 38 5.529 33.923 -7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.506 34.235 -9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.950 33.467 -9.275 1.00 0.00 H new ATOM 598 N VAL A 39 5.323 31.668 -8.755 1.00 0.00 N ATOM 599 CA VAL A 39 4.706 30.369 -9.016 1.00 0.00 C ATOM 600 C VAL A 39 3.517 30.512 -9.962 1.00 0.00 C ATOM 601 O VAL A 39 2.775 31.492 -9.893 1.00 0.00 O ATOM 602 CB VAL A 39 4.234 29.694 -7.713 1.00 0.00 C ATOM 603 CG1 VAL A 39 3.738 28.281 -7.987 1.00 0.00 C ATOM 604 CG2 VAL A 39 5.355 29.680 -6.685 1.00 0.00 C ATOM 0 H VAL A 39 4.948 32.161 -7.945 1.00 0.00 H new ATOM 0 HA VAL A 39 5.468 29.743 -9.480 1.00 0.00 H new ATOM 0 HB VAL A 39 3.403 30.272 -7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.410 27.823 -7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.903 28.318 -8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.546 27.689 -8.417 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.005 29.200 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.206 29.127 -7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.659 30.703 -6.464 1.00 0.00 H new ATOM 614 N ASP A 40 3.339 29.533 -10.845 1.00 0.00 N ATOM 615 CA ASP A 40 2.237 29.564 -11.800 1.00 0.00 C ATOM 616 C ASP A 40 1.855 28.155 -12.247 1.00 0.00 C ATOM 617 O ASP A 40 2.435 27.168 -11.795 1.00 0.00 O ATOM 618 CB ASP A 40 2.614 30.411 -13.018 1.00 0.00 C ATOM 619 CG ASP A 40 2.847 31.866 -12.660 1.00 0.00 C ATOM 620 OD1 ASP A 40 1.871 32.645 -12.679 1.00 0.00 O ATOM 621 OD2 ASP A 40 4.005 32.226 -12.361 1.00 0.00 O ATOM 0 H ASP A 40 3.941 28.713 -10.919 1.00 0.00 H new ATOM 0 HA ASP A 40 1.376 30.012 -11.303 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.515 30.003 -13.476 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.821 30.345 -13.763 1.00 0.00 H new ATOM 626 N GLY A 41 0.872 28.076 -13.139 1.00 0.00 N ATOM 627 CA GLY A 41 0.419 26.789 -13.638 1.00 0.00 C ATOM 628 C GLY A 41 -1.035 26.522 -13.303 1.00 0.00 C ATOM 629 O GLY A 41 -1.854 27.442 -13.298 1.00 0.00 O ATOM 0 H GLY A 41 0.380 28.881 -13.526 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.553 26.753 -14.719 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.038 25.999 -13.214 1.00 0.00 H new ATOM 633 N GLU A 42 -1.360 25.265 -13.022 1.00 0.00 N ATOM 634 CA GLU A 42 -2.730 24.889 -12.686 1.00 0.00 C ATOM 635 C GLU A 42 -2.755 23.701 -11.729 1.00 0.00 C ATOM 636 O GLU A 42 -1.804 22.922 -11.665 1.00 0.00 O ATOM 637 CB GLU A 42 -3.514 24.555 -13.955 1.00 0.00 C ATOM 638 CG GLU A 42 -3.970 25.781 -14.729 1.00 0.00 C ATOM 639 CD GLU A 42 -5.187 25.508 -15.591 1.00 0.00 C ATOM 640 OE1 GLU A 42 -6.175 24.954 -15.065 1.00 0.00 O ATOM 641 OE2 GLU A 42 -5.150 25.846 -16.793 1.00 0.00 O ATOM 0 H GLU A 42 -0.696 24.490 -13.020 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.200 25.738 -12.189 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.893 23.937 -14.603 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.387 23.960 -13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.199 26.584 -14.028 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.154 26.132 -15.360 1.00 0.00 H new ATOM 648 N TRP A 43 -3.853 23.569 -10.991 1.00 0.00 N ATOM 649 CA TRP A 43 -4.008 22.477 -10.038 1.00 0.00 C ATOM 650 C TRP A 43 -4.255 21.158 -10.751 1.00 0.00 C ATOM 651 O TRP A 43 -5.241 21.002 -11.473 1.00 0.00 O ATOM 652 CB TRP A 43 -5.154 22.773 -9.069 1.00 0.00 C ATOM 653 CG TRP A 43 -4.797 23.785 -8.025 1.00 0.00 C ATOM 654 CD1 TRP A 43 -5.130 25.108 -8.019 1.00 0.00 C ATOM 655 CD2 TRP A 43 -4.034 23.557 -6.834 1.00 0.00 C ATOM 656 NE1 TRP A 43 -4.622 25.717 -6.897 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.945 24.786 -6.153 1.00 0.00 C ATOM 658 CE3 TRP A 43 -3.419 22.432 -6.276 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -3.266 24.922 -4.945 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -2.744 22.568 -5.077 1.00 0.00 C ATOM 661 CH2 TRP A 43 -2.674 23.804 -4.423 1.00 0.00 C ATOM 0 H TRP A 43 -4.649 24.206 -11.035 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.079 22.391 -9.474 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.015 23.131 -9.633 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.456 21.847 -8.580 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.708 25.604 -8.784 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.731 26.702 -6.657 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.470 21.474 -6.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.209 25.874 -4.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.263 21.707 -4.638 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.141 23.877 -3.486 1.00 0.00 H new ATOM 672 N THR A 44 -3.353 20.209 -10.538 1.00 0.00 N ATOM 673 CA THR A 44 -3.469 18.898 -11.153 1.00 0.00 C ATOM 674 C THR A 44 -3.736 17.833 -10.098 1.00 0.00 C ATOM 675 O THR A 44 -3.160 17.856 -9.011 1.00 0.00 O ATOM 676 CB THR A 44 -2.199 18.558 -11.935 1.00 0.00 C ATOM 677 OG1 THR A 44 -1.075 18.521 -11.074 1.00 0.00 O ATOM 678 CG2 THR A 44 -1.899 19.546 -13.041 1.00 0.00 C ATOM 0 H THR A 44 -2.533 20.325 -9.943 1.00 0.00 H new ATOM 0 HA THR A 44 -4.310 18.920 -11.846 1.00 0.00 H new ATOM 0 HB THR A 44 -2.385 17.581 -12.382 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.369 18.640 -10.147 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.986 19.248 -13.557 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.727 19.562 -13.749 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.767 20.540 -12.615 1.00 0.00 H new ATOM 686 N TYR A 45 -4.606 16.896 -10.440 1.00 0.00 N ATOM 687 CA TYR A 45 -4.953 15.804 -9.539 1.00 0.00 C ATOM 688 C TYR A 45 -3.797 14.817 -9.417 1.00 0.00 C ATOM 689 O TYR A 45 -3.057 14.595 -10.374 1.00 0.00 O ATOM 690 CB TYR A 45 -6.211 15.085 -10.027 1.00 0.00 C ATOM 691 CG TYR A 45 -7.494 15.798 -9.663 1.00 0.00 C ATOM 692 CD1 TYR A 45 -8.048 15.664 -8.396 1.00 0.00 C ATOM 693 CD2 TYR A 45 -8.150 16.606 -10.583 1.00 0.00 C ATOM 694 CE1 TYR A 45 -9.219 16.314 -8.056 1.00 0.00 C ATOM 695 CE2 TYR A 45 -9.322 17.260 -10.251 1.00 0.00 C ATOM 696 CZ TYR A 45 -9.852 17.110 -8.987 1.00 0.00 C ATOM 697 OH TYR A 45 -11.018 17.758 -8.652 1.00 0.00 O ATOM 0 H TYR A 45 -5.088 16.868 -11.339 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.152 16.227 -8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.160 14.976 -11.110 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.231 14.080 -9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.555 15.041 -7.664 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.738 16.725 -11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.636 16.199 -7.066 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.820 17.885 -10.978 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.335 18.278 -9.419 1.00 0.00 H new ATOM 707 N ASP A 46 -3.646 14.230 -8.234 1.00 0.00 N ATOM 708 CA ASP A 46 -2.577 13.267 -7.993 1.00 0.00 C ATOM 709 C ASP A 46 -2.855 11.955 -8.720 1.00 0.00 C ATOM 710 O ASP A 46 -4.005 11.629 -9.015 1.00 0.00 O ATOM 711 CB ASP A 46 -2.427 12.998 -6.495 1.00 0.00 C ATOM 712 CG ASP A 46 -1.639 14.077 -5.782 1.00 0.00 C ATOM 713 OD1 ASP A 46 -2.248 15.092 -5.382 1.00 0.00 O ATOM 714 OD2 ASP A 46 -0.412 13.906 -5.619 1.00 0.00 O ATOM 0 H ASP A 46 -4.248 14.404 -7.429 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.650 13.693 -8.376 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.416 12.918 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.932 12.037 -6.351 1.00 0.00 H new ATOM 719 N ASP A 47 -1.796 11.204 -9.004 1.00 0.00 N ATOM 720 CA ASP A 47 -1.931 9.926 -9.694 1.00 0.00 C ATOM 721 C ASP A 47 -2.657 8.914 -8.812 1.00 0.00 C ATOM 722 O ASP A 47 -2.398 8.822 -7.612 1.00 0.00 O ATOM 723 CB ASP A 47 -0.554 9.386 -10.088 1.00 0.00 C ATOM 724 CG ASP A 47 0.154 10.281 -11.086 1.00 0.00 C ATOM 725 OD1 ASP A 47 -0.528 10.839 -11.971 1.00 0.00 O ATOM 726 OD2 ASP A 47 1.390 10.424 -10.983 1.00 0.00 O ATOM 0 H ASP A 47 -0.837 11.457 -8.768 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.519 10.085 -10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.062 9.284 -9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.666 8.389 -10.514 1.00 0.00 H new ATOM 731 N ALA A 48 -3.577 8.164 -9.413 1.00 0.00 N ATOM 732 CA ALA A 48 -4.354 7.168 -8.682 1.00 0.00 C ATOM 733 C ALA A 48 -3.456 6.178 -7.947 1.00 0.00 C ATOM 734 O ALA A 48 -2.455 5.707 -8.486 1.00 0.00 O ATOM 735 CB ALA A 48 -5.285 6.430 -9.632 1.00 0.00 C ATOM 0 H ALA A 48 -3.803 8.228 -10.406 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.946 7.694 -7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.860 5.689 -9.076 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.966 7.141 -10.100 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.697 5.930 -10.402 1.00 0.00 H new ATOM 741 N THR A 49 -3.832 5.866 -6.710 1.00 0.00 N ATOM 742 CA THR A 49 -3.076 4.930 -5.884 1.00 0.00 C ATOM 743 C THR A 49 -4.008 3.906 -5.244 1.00 0.00 C ATOM 744 O THR A 49 -5.203 4.158 -5.083 1.00 0.00 O ATOM 745 CB THR A 49 -2.300 5.680 -4.800 1.00 0.00 C ATOM 746 OG1 THR A 49 -1.580 6.765 -5.359 1.00 0.00 O ATOM 747 CG2 THR A 49 -1.310 4.805 -4.062 1.00 0.00 C ATOM 0 H THR A 49 -4.660 6.250 -6.256 1.00 0.00 H new ATOM 0 HA THR A 49 -2.367 4.405 -6.525 1.00 0.00 H new ATOM 0 HB THR A 49 -3.053 6.028 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.092 7.233 -4.650 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.793 5.397 -3.307 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.840 3.984 -3.579 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.583 4.403 -4.768 1.00 0.00 H new ATOM 755 N LYS A 50 -3.460 2.751 -4.883 1.00 0.00 N ATOM 756 CA LYS A 50 -4.252 1.695 -4.266 1.00 0.00 C ATOM 757 C LYS A 50 -3.788 1.422 -2.838 1.00 0.00 C ATOM 758 O LYS A 50 -2.605 1.548 -2.522 1.00 0.00 O ATOM 759 CB LYS A 50 -4.165 0.412 -5.096 1.00 0.00 C ATOM 760 CG LYS A 50 -5.433 -0.426 -5.057 1.00 0.00 C ATOM 761 CD LYS A 50 -6.459 0.065 -6.065 1.00 0.00 C ATOM 762 CE LYS A 50 -6.029 -0.238 -7.491 1.00 0.00 C ATOM 763 NZ LYS A 50 -6.719 -1.440 -8.036 1.00 0.00 N ATOM 0 H LYS A 50 -2.474 2.523 -5.007 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.289 2.030 -4.232 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.944 0.673 -6.131 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.331 -0.189 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.188 -1.468 -5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.861 -0.393 -4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.421 -0.407 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.601 1.139 -5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.243 0.622 -8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.951 -0.394 -7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.398 -1.613 -9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.495 -2.266 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.747 -1.281 -8.033 1.00 0.00 H new ATOM 777 N THR A 51 -4.733 1.049 -1.981 1.00 0.00 N ATOM 778 CA THR A 51 -4.437 0.757 -0.584 1.00 0.00 C ATOM 779 C THR A 51 -5.257 -0.442 -0.111 1.00 0.00 C ATOM 780 O THR A 51 -6.482 -0.452 -0.230 1.00 0.00 O ATOM 781 CB THR A 51 -4.723 1.990 0.280 1.00 0.00 C ATOM 782 OG1 THR A 51 -3.820 3.035 -0.032 1.00 0.00 O ATOM 783 CG2 THR A 51 -4.618 1.729 1.769 1.00 0.00 C ATOM 0 H THR A 51 -5.716 0.942 -2.232 1.00 0.00 H new ATOM 0 HA THR A 51 -3.381 0.506 -0.487 1.00 0.00 H new ATOM 0 HB THR A 51 -5.753 2.265 0.051 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.182 3.887 0.289 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.834 2.647 2.315 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.335 0.960 2.055 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.610 1.392 2.009 1.00 0.00 H new ATOM 791 N PHE A 52 -4.573 -1.451 0.421 1.00 0.00 N ATOM 792 CA PHE A 52 -5.238 -2.656 0.908 1.00 0.00 C ATOM 793 C PHE A 52 -5.809 -2.452 2.308 1.00 0.00 C ATOM 794 O PHE A 52 -5.066 -2.221 3.261 1.00 0.00 O ATOM 795 CB PHE A 52 -4.267 -3.839 0.914 1.00 0.00 C ATOM 796 CG PHE A 52 -4.930 -5.156 1.209 1.00 0.00 C ATOM 797 CD1 PHE A 52 -5.527 -5.888 0.196 1.00 0.00 C ATOM 798 CD2 PHE A 52 -4.956 -5.659 2.499 1.00 0.00 C ATOM 799 CE1 PHE A 52 -6.139 -7.098 0.464 1.00 0.00 C ATOM 800 CE2 PHE A 52 -5.565 -6.868 2.774 1.00 0.00 C ATOM 801 CZ PHE A 52 -6.158 -7.588 1.755 1.00 0.00 C ATOM 0 H PHE A 52 -3.558 -1.458 0.526 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.064 -2.871 0.230 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.773 -3.899 -0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.490 -3.658 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.514 -5.509 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.495 -5.100 3.299 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.601 -7.659 -0.335 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.578 -7.250 3.784 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.636 -8.533 1.968 1.00 0.00 H new ATOM 811 N THR A 53 -7.128 -2.553 2.428 1.00 0.00 N ATOM 812 CA THR A 53 -7.785 -2.396 3.720 1.00 0.00 C ATOM 813 C THR A 53 -7.951 -3.754 4.397 1.00 0.00 C ATOM 814 O THR A 53 -8.544 -4.670 3.830 1.00 0.00 O ATOM 815 CB THR A 53 -9.148 -1.722 3.549 1.00 0.00 C ATOM 816 OG1 THR A 53 -9.005 -0.452 2.937 1.00 0.00 O ATOM 817 CG2 THR A 53 -9.884 -1.520 4.857 1.00 0.00 C ATOM 0 H THR A 53 -7.761 -2.742 1.651 1.00 0.00 H new ATOM 0 HA THR A 53 -7.161 -1.763 4.350 1.00 0.00 H new ATOM 0 HB THR A 53 -9.730 -2.400 2.924 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.543 -0.553 2.079 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.842 -1.038 4.665 1.00 0.00 H new ATOM 0 HG22 THR A 53 -10.053 -2.486 5.332 1.00 0.00 H new ATOM 0 HG23 THR A 53 -9.287 -0.890 5.517 1.00 0.00 H new ATOM 825 N VAL A 54 -7.418 -3.880 5.608 1.00 0.00 N ATOM 826 CA VAL A 54 -7.507 -5.134 6.350 1.00 0.00 C ATOM 827 C VAL A 54 -8.932 -5.391 6.822 1.00 0.00 C ATOM 828 O VAL A 54 -9.726 -4.462 6.972 1.00 0.00 O ATOM 829 CB VAL A 54 -6.571 -5.146 7.573 1.00 0.00 C ATOM 830 CG1 VAL A 54 -6.412 -6.561 8.106 1.00 0.00 C ATOM 831 CG2 VAL A 54 -5.216 -4.547 7.225 1.00 0.00 C ATOM 0 H VAL A 54 -6.922 -3.134 6.095 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.199 -5.922 5.662 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.020 -4.532 8.353 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.748 -6.552 8.970 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.386 -6.950 8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.988 -7.197 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.573 -4.567 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.756 -5.128 6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.348 -3.517 6.895 1.00 0.00 H new ATOM 841 N THR A 55 -9.250 -6.659 7.053 1.00 0.00 N ATOM 842 CA THR A 55 -10.579 -7.043 7.508 1.00 0.00 C ATOM 843 C THR A 55 -10.514 -8.269 8.410 1.00 0.00 C ATOM 844 O THR A 55 -10.746 -8.181 9.616 1.00 0.00 O ATOM 845 CB THR A 55 -11.491 -7.319 6.312 1.00 0.00 C ATOM 846 OG1 THR A 55 -11.548 -6.192 5.455 1.00 0.00 O ATOM 847 CG2 THR A 55 -12.909 -7.668 6.707 1.00 0.00 C ATOM 0 H THR A 55 -8.604 -7.439 6.932 1.00 0.00 H new ATOM 0 HA THR A 55 -10.991 -6.215 8.085 1.00 0.00 H new ATOM 0 HB THR A 55 -11.051 -8.179 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 55 -12.252 -6.325 4.786 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.502 -7.852 5.811 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.904 -8.564 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 55 -13.345 -6.841 7.267 1.00 0.00 H new ATOM 855 N GLU A 56 -10.199 -9.411 7.816 1.00 0.00 N ATOM 856 CA GLU A 56 -10.102 -10.661 8.562 1.00 0.00 C ATOM 857 C GLU A 56 -8.645 -11.008 8.857 1.00 0.00 C ATOM 858 O GLU A 56 -7.772 -10.151 8.607 1.00 0.00 O ATOM 859 CB GLU A 56 -10.760 -11.799 7.780 1.00 0.00 C ATOM 860 CG GLU A 56 -12.267 -11.873 7.970 1.00 0.00 C ATOM 861 CD GLU A 56 -12.854 -13.175 7.461 1.00 0.00 C ATOM 862 OE1 GLU A 56 -12.302 -13.737 6.492 1.00 0.00 O ATOM 863 OE2 GLU A 56 -13.866 -13.633 8.032 1.00 0.00 O ATOM 864 OXT GLU A 56 -8.392 -12.133 9.338 1.00 0.00 O ATOM 0 H GLU A 56 -10.006 -9.500 6.818 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.625 -10.530 9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.541 -11.675 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.316 -12.745 8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.502 -11.762 9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.737 -11.038 7.449 1.00 0.00 H new ATOM 872 N MET B 1 -10.220 16.573 1.569 1.00 0.00 N ATOM 873 CA MET B 1 -9.365 16.794 0.374 1.00 0.00 C ATOM 874 C MET B 1 -7.902 16.963 0.769 1.00 0.00 C ATOM 875 O MET B 1 -7.539 17.924 1.448 1.00 0.00 O ATOM 876 CB MET B 1 -9.867 18.041 -0.359 1.00 0.00 C ATOM 877 CG MET B 1 -9.883 17.893 -1.872 1.00 0.00 C ATOM 878 SD MET B 1 -8.268 18.190 -2.616 1.00 0.00 S ATOM 879 CE MET B 1 -7.757 16.516 -2.997 1.00 0.00 C ATOM 0 H1 MET B 1 -11.210 16.461 1.271 1.00 0.00 H new ATOM 0 H2 MET B 1 -9.908 15.714 2.065 1.00 0.00 H new ATOM 0 H3 MET B 1 -10.141 17.389 2.208 1.00 0.00 H new ATOM 0 HA MET B 1 -9.428 15.925 -0.280 1.00 0.00 H new ATOM 0 HB2 MET B 1 -10.875 18.274 -0.014 1.00 0.00 H new ATOM 0 HB3 MET B 1 -9.235 18.888 -0.092 1.00 0.00 H new ATOM 0 HG2 MET B 1 -10.219 16.889 -2.131 1.00 0.00 H new ATOM 0 HG3 MET B 1 -10.607 18.590 -2.294 1.00 0.00 H new ATOM 0 HE1 MET B 1 -7.169 16.515 -3.915 1.00 0.00 H new ATOM 0 HE2 MET B 1 -7.153 16.125 -2.179 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.638 15.888 -3.130 1.00 0.00 H new ATOM 891 N GLN B 2 -7.066 16.025 0.335 1.00 0.00 N ATOM 892 CA GLN B 2 -5.641 16.071 0.640 1.00 0.00 C ATOM 893 C GLN B 2 -4.901 16.898 -0.402 1.00 0.00 C ATOM 894 O GLN B 2 -4.997 16.634 -1.601 1.00 0.00 O ATOM 895 CB GLN B 2 -5.063 14.654 0.693 1.00 0.00 C ATOM 896 CG GLN B 2 -3.652 14.593 1.258 1.00 0.00 C ATOM 897 CD GLN B 2 -3.049 13.205 1.169 1.00 0.00 C ATOM 898 OE1 GLN B 2 -2.050 12.993 0.480 1.00 0.00 O ATOM 899 NE2 GLN B 2 -3.652 12.250 1.868 1.00 0.00 N ATOM 0 H GLN B 2 -7.351 15.224 -0.229 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.512 16.541 1.615 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -5.716 14.027 1.300 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -5.061 14.233 -0.313 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -3.018 15.296 0.718 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -3.667 14.912 2.300 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -4.477 12.470 2.426 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -3.290 11.297 1.847 1.00 0.00 H new ATOM 908 N TYR B 3 -4.175 17.913 0.058 1.00 0.00 N ATOM 909 CA TYR B 3 -3.437 18.788 -0.842 1.00 0.00 C ATOM 910 C TYR B 3 -1.931 18.569 -0.743 1.00 0.00 C ATOM 911 O TYR B 3 -1.345 18.641 0.338 1.00 0.00 O ATOM 912 CB TYR B 3 -3.778 20.250 -0.552 1.00 0.00 C ATOM 913 CG TYR B 3 -5.087 20.694 -1.163 1.00 0.00 C ATOM 914 CD1 TYR B 3 -5.175 21.000 -2.516 1.00 0.00 C ATOM 915 CD2 TYR B 3 -6.236 20.803 -0.390 1.00 0.00 C ATOM 916 CE1 TYR B 3 -6.371 21.403 -3.079 1.00 0.00 C ATOM 917 CE2 TYR B 3 -7.435 21.204 -0.946 1.00 0.00 C ATOM 918 CZ TYR B 3 -7.497 21.503 -2.291 1.00 0.00 C ATOM 919 OH TYR B 3 -8.689 21.903 -2.849 1.00 0.00 O ATOM 0 H TYR B 3 -4.083 18.148 1.046 1.00 0.00 H new ATOM 0 HA TYR B 3 -3.738 18.541 -1.860 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.821 20.398 0.527 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -2.976 20.884 -0.929 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.295 20.922 -3.137 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.191 20.570 0.664 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -6.423 21.638 -4.132 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -8.319 21.283 -0.331 1.00 0.00 H new ATOM 0 HH TYR B 3 -8.659 22.866 -3.030 1.00 0.00 H new ATOM 929 N LYS B 4 -1.319 18.310 -1.892 1.00 0.00 N ATOM 930 CA LYS B 4 0.119 18.086 -1.970 1.00 0.00 C ATOM 931 C LYS B 4 0.814 19.290 -2.600 1.00 0.00 C ATOM 932 O LYS B 4 0.511 19.669 -3.731 1.00 0.00 O ATOM 933 CB LYS B 4 0.421 16.819 -2.775 1.00 0.00 C ATOM 934 CG LYS B 4 0.780 15.621 -1.910 1.00 0.00 C ATOM 935 CD LYS B 4 0.705 14.321 -2.696 1.00 0.00 C ATOM 936 CE LYS B 4 1.978 14.075 -3.490 1.00 0.00 C ATOM 937 NZ LYS B 4 1.887 12.842 -4.319 1.00 0.00 N ATOM 0 H LYS B 4 -1.801 18.250 -2.789 1.00 0.00 H new ATOM 0 HA LYS B 4 0.501 17.954 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.448 16.570 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.244 17.021 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS B 4 1.786 15.748 -1.511 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.103 15.571 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.536 13.490 -2.011 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.148 14.354 -3.374 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.175 14.932 -4.134 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.822 13.990 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.755 12.738 -4.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.775 12.014 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.067 12.911 -4.955 1.00 0.00 H new ATOM 951 N VAL B 5 1.738 19.892 -1.856 1.00 0.00 N ATOM 952 CA VAL B 5 2.462 21.061 -2.344 1.00 0.00 C ATOM 953 C VAL B 5 3.930 21.026 -1.931 1.00 0.00 C ATOM 954 O VAL B 5 4.255 20.834 -0.760 1.00 0.00 O ATOM 955 CB VAL B 5 1.830 22.367 -1.827 1.00 0.00 C ATOM 956 CG1 VAL B 5 2.460 23.572 -2.506 1.00 0.00 C ATOM 957 CG2 VAL B 5 0.323 22.353 -2.042 1.00 0.00 C ATOM 0 H VAL B 5 2.002 19.591 -0.918 1.00 0.00 H new ATOM 0 HA VAL B 5 2.397 21.034 -3.432 1.00 0.00 H new ATOM 0 HB VAL B 5 2.021 22.441 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL B 5 2.000 24.485 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL B 5 3.529 23.590 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL B 5 2.303 23.506 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -0.106 23.284 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL B 5 0.108 22.253 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -0.114 21.512 -1.503 1.00 0.00 H new ATOM 967 N ILE B 6 4.811 21.219 -2.908 1.00 0.00 N ATOM 968 CA ILE B 6 6.248 21.218 -2.659 1.00 0.00 C ATOM 969 C ILE B 6 6.754 22.632 -2.390 1.00 0.00 C ATOM 970 O ILE B 6 6.676 23.502 -3.257 1.00 0.00 O ATOM 971 CB ILE B 6 7.020 20.626 -3.855 1.00 0.00 C ATOM 972 CG1 ILE B 6 6.402 19.293 -4.281 1.00 0.00 C ATOM 973 CG2 ILE B 6 8.489 20.446 -3.503 1.00 0.00 C ATOM 974 CD1 ILE B 6 7.050 18.692 -5.511 1.00 0.00 C ATOM 0 H ILE B 6 4.554 21.378 -3.882 1.00 0.00 H new ATOM 0 HA ILE B 6 6.423 20.598 -1.780 1.00 0.00 H new ATOM 0 HB ILE B 6 6.950 21.321 -4.692 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.481 18.585 -3.456 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.339 19.440 -4.475 1.00 0.00 H new ATOM 0 HG21 ILE B 6 9.019 20.027 -4.358 1.00 0.00 H new ATOM 0 HG22 ILE B 6 8.922 21.412 -3.245 1.00 0.00 H new ATOM 0 HG23 ILE B 6 8.579 19.769 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE B 6 6.562 17.749 -5.755 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.948 19.381 -6.349 1.00 0.00 H new ATOM 0 HD13 ILE B 6 8.107 18.513 -5.315 1.00 0.00 H new ATOM 986 N LEU B 7 7.276 22.855 -1.186 1.00 0.00 N ATOM 987 CA LEU B 7 7.796 24.167 -0.814 1.00 0.00 C ATOM 988 C LEU B 7 9.149 24.042 -0.120 1.00 0.00 C ATOM 989 O LEU B 7 9.241 23.536 0.998 1.00 0.00 O ATOM 990 CB LEU B 7 6.805 24.888 0.105 1.00 0.00 C ATOM 991 CG LEU B 7 6.754 26.410 -0.061 1.00 0.00 C ATOM 992 CD1 LEU B 7 6.068 26.780 -1.368 1.00 0.00 C ATOM 993 CD2 LEU B 7 6.036 27.052 1.119 1.00 0.00 C ATOM 0 H LEU B 7 7.350 22.147 -0.455 1.00 0.00 H new ATOM 0 HA LEU B 7 7.929 24.749 -1.726 1.00 0.00 H new ATOM 0 HB2 LEU B 7 5.808 24.485 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.060 24.659 1.140 1.00 0.00 H new ATOM 0 HG LEU B 7 7.776 26.788 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU B 7 6.040 27.865 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU B 7 6.621 26.351 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU B 7 5.050 26.390 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU B 7 6.009 28.133 0.984 1.00 0.00 H new ATOM 0 HD22 LEU B 7 5.017 26.668 1.178 1.00 0.00 H new ATOM 0 HD23 LEU B 7 6.567 26.814 2.041 1.00 0.00 H new ATOM 1208 N ASP B 22 9.780 28.998 1.294 1.00 0.00 N ATOM 1209 CA ASP B 22 10.452 28.330 2.404 1.00 0.00 C ATOM 1210 C ASP B 22 9.497 27.443 3.189 1.00 0.00 C ATOM 1211 O ASP B 22 8.333 27.783 3.395 1.00 0.00 O ATOM 1212 CB ASP B 22 11.082 29.365 3.338 1.00 0.00 C ATOM 1213 CG ASP B 22 12.160 28.767 4.220 1.00 0.00 C ATOM 1214 OD1 ASP B 22 11.810 28.122 5.231 1.00 0.00 O ATOM 1215 OD2 ASP B 22 13.354 28.943 3.901 1.00 0.00 O ATOM 0 HA ASP B 22 11.231 27.695 1.982 1.00 0.00 H new ATOM 0 HB2 ASP B 22 11.509 30.174 2.745 1.00 0.00 H new ATOM 0 HB3 ASP B 22 10.306 29.805 3.965 1.00 0.00 H new ATOM 1220 N ALA B 23 10.010 26.302 3.624 1.00 0.00 N ATOM 1221 CA ALA B 23 9.229 25.347 4.393 1.00 0.00 C ATOM 1222 C ALA B 23 8.584 26.010 5.609 1.00 0.00 C ATOM 1223 O ALA B 23 7.421 25.758 5.922 1.00 0.00 O ATOM 1224 CB ALA B 23 10.124 24.194 4.815 1.00 0.00 C ATOM 0 H ALA B 23 10.974 26.014 3.455 1.00 0.00 H new ATOM 0 HA ALA B 23 8.421 24.966 3.768 1.00 0.00 H new ATOM 0 HB1 ALA B 23 9.543 23.475 5.392 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.530 23.705 3.929 1.00 0.00 H new ATOM 0 HB3 ALA B 23 10.942 24.574 5.427 1.00 0.00 H new ATOM 1230 N ALA B 24 9.347 26.866 6.286 1.00 0.00 N ATOM 1231 CA ALA B 24 8.852 27.575 7.461 1.00 0.00 C ATOM 1232 C ALA B 24 7.746 28.553 7.080 1.00 0.00 C ATOM 1233 O ALA B 24 6.823 28.799 7.857 1.00 0.00 O ATOM 1234 CB ALA B 24 9.990 28.305 8.156 1.00 0.00 C ATOM 0 H ALA B 24 10.312 27.085 6.039 1.00 0.00 H new ATOM 0 HA ALA B 24 8.434 26.842 8.151 1.00 0.00 H new ATOM 0 HB1 ALA B 24 9.605 28.829 9.031 1.00 0.00 H new ATOM 0 HB2 ALA B 24 10.747 27.586 8.468 1.00 0.00 H new ATOM 0 HB3 ALA B 24 10.435 29.024 7.468 1.00 0.00 H new ATOM 1240 N THR B 25 7.846 29.104 5.874 1.00 0.00 N ATOM 1241 CA THR B 25 6.854 30.053 5.379 1.00 0.00 C ATOM 1242 C THR B 25 5.493 29.376 5.262 1.00 0.00 C ATOM 1243 O THR B 25 4.457 29.986 5.527 1.00 0.00 O ATOM 1244 CB THR B 25 7.298 30.607 4.020 1.00 0.00 C ATOM 1245 OG1 THR B 25 8.448 31.420 4.164 1.00 0.00 O ATOM 1246 CG2 THR B 25 6.241 31.437 3.320 1.00 0.00 C ATOM 0 H THR B 25 8.605 28.909 5.221 1.00 0.00 H new ATOM 0 HA THR B 25 6.768 30.880 6.083 1.00 0.00 H new ATOM 0 HB THR B 25 7.500 29.726 3.411 1.00 0.00 H new ATOM 0 HG1 THR B 25 8.718 31.763 3.287 1.00 0.00 H new ATOM 0 HG21 THR B 25 6.630 31.793 2.366 1.00 0.00 H new ATOM 0 HG22 THR B 25 5.355 30.826 3.145 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.976 32.290 3.945 1.00 0.00 H new ATOM 1254 N PHE B 26 5.512 28.107 4.878 1.00 0.00 N ATOM 1255 CA PHE B 26 4.287 27.328 4.739 1.00 0.00 C ATOM 1256 C PHE B 26 3.602 27.151 6.091 1.00 0.00 C ATOM 1257 O PHE B 26 2.393 27.342 6.218 1.00 0.00 O ATOM 1258 CB PHE B 26 4.590 25.959 4.129 1.00 0.00 C ATOM 1259 CG PHE B 26 3.371 25.256 3.602 1.00 0.00 C ATOM 1260 CD1 PHE B 26 2.734 25.710 2.459 1.00 0.00 C ATOM 1261 CD2 PHE B 26 2.862 24.143 4.252 1.00 0.00 C ATOM 1262 CE1 PHE B 26 1.611 25.067 1.973 1.00 0.00 C ATOM 1263 CE2 PHE B 26 1.739 23.496 3.770 1.00 0.00 C ATOM 1264 CZ PHE B 26 1.113 23.958 2.630 1.00 0.00 C ATOM 0 H PHE B 26 6.365 27.593 4.656 1.00 0.00 H new ATOM 0 HA PHE B 26 3.615 27.872 4.075 1.00 0.00 H new ATOM 0 HB2 PHE B 26 5.308 26.082 3.318 1.00 0.00 H new ATOM 0 HB3 PHE B 26 5.065 25.331 4.883 1.00 0.00 H new ATOM 0 HD1 PHE B 26 3.119 26.576 1.942 1.00 0.00 H new ATOM 0 HD2 PHE B 26 3.348 23.777 5.145 1.00 0.00 H new ATOM 0 HE1 PHE B 26 1.123 25.431 1.081 1.00 0.00 H new ATOM 0 HE2 PHE B 26 1.352 22.629 4.285 1.00 0.00 H new ATOM 0 HZ PHE B 26 0.236 23.454 2.252 1.00 0.00 H new ATOM 1274 N GLU B 27 4.385 26.772 7.097 1.00 0.00 N ATOM 1275 CA GLU B 27 3.860 26.552 8.442 1.00 0.00 C ATOM 1276 C GLU B 27 3.198 27.807 9.007 1.00 0.00 C ATOM 1277 O GLU B 27 2.086 27.746 9.531 1.00 0.00 O ATOM 1278 CB GLU B 27 4.982 26.095 9.377 1.00 0.00 C ATOM 1279 CG GLU B 27 5.614 24.773 8.973 1.00 0.00 C ATOM 1280 CD GLU B 27 6.610 24.263 9.996 1.00 0.00 C ATOM 1281 OE1 GLU B 27 6.215 24.075 11.166 1.00 0.00 O ATOM 1282 OE2 GLU B 27 7.785 24.054 9.628 1.00 0.00 O ATOM 0 H GLU B 27 5.388 26.610 7.006 1.00 0.00 H new ATOM 0 HA GLU B 27 3.099 25.774 8.373 1.00 0.00 H new ATOM 0 HB2 GLU B 27 5.755 26.863 9.405 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.586 26.004 10.388 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.830 24.028 8.833 1.00 0.00 H new ATOM 0 HG3 GLU B 27 6.115 24.893 8.013 1.00 0.00 H new ATOM 1289 N LYS B 28 3.895 28.934 8.927 1.00 0.00 N ATOM 1290 CA LYS B 28 3.382 30.192 9.463 1.00 0.00 C ATOM 1291 C LYS B 28 2.161 30.704 8.697 1.00 0.00 C ATOM 1292 O LYS B 28 1.147 31.049 9.304 1.00 0.00 O ATOM 1293 CB LYS B 28 4.480 31.257 9.449 1.00 0.00 C ATOM 1294 CG LYS B 28 4.116 32.516 10.220 1.00 0.00 C ATOM 1295 CD LYS B 28 5.316 33.432 10.395 1.00 0.00 C ATOM 1296 CE LYS B 28 6.173 33.009 11.578 1.00 0.00 C ATOM 1297 NZ LYS B 28 5.556 33.399 12.877 1.00 0.00 N ATOM 0 H LYS B 28 4.817 29.004 8.496 1.00 0.00 H new ATOM 0 HA LYS B 28 3.066 29.994 10.487 1.00 0.00 H new ATOM 0 HB2 LYS B 28 5.391 30.833 9.871 1.00 0.00 H new ATOM 0 HB3 LYS B 28 4.702 31.525 8.416 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.324 33.049 9.694 1.00 0.00 H new ATOM 0 HG3 LYS B 28 3.721 32.243 11.198 1.00 0.00 H new ATOM 0 HD2 LYS B 28 5.918 33.422 9.486 1.00 0.00 H new ATOM 0 HD3 LYS B 28 4.974 34.457 10.540 1.00 0.00 H new ATOM 0 HE2 LYS B 28 6.317 31.929 11.554 1.00 0.00 H new ATOM 0 HE3 LYS B 28 7.160 33.464 11.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 6.234 33.233 13.647 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 5.301 34.407 12.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 4.701 32.830 13.040 1.00 0.00 H new ATOM 1311 N VAL B 29 2.254 30.762 7.372 1.00 0.00 N ATOM 1312 CA VAL B 29 1.146 31.245 6.548 1.00 0.00 C ATOM 1313 C VAL B 29 -0.084 30.345 6.648 1.00 0.00 C ATOM 1314 O VAL B 29 -1.210 30.831 6.736 1.00 0.00 O ATOM 1315 CB VAL B 29 1.555 31.355 5.065 1.00 0.00 C ATOM 1316 CG1 VAL B 29 0.390 31.858 4.221 1.00 0.00 C ATOM 1317 CG2 VAL B 29 2.765 32.263 4.912 1.00 0.00 C ATOM 0 H VAL B 29 3.081 30.482 6.845 1.00 0.00 H new ATOM 0 HA VAL B 29 0.893 32.232 6.935 1.00 0.00 H new ATOM 0 HB VAL B 29 1.826 30.361 4.708 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.700 31.928 3.178 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.446 31.164 4.305 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.082 32.842 4.575 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.040 32.329 3.859 1.00 0.00 H new ATOM 0 HG22 VAL B 29 2.523 33.258 5.287 1.00 0.00 H new ATOM 0 HG23 VAL B 29 3.601 31.854 5.480 1.00 0.00 H new ATOM 1327 N VAL B 30 0.138 29.037 6.610 1.00 0.00 N ATOM 1328 CA VAL B 30 -0.957 28.076 6.670 1.00 0.00 C ATOM 1329 C VAL B 30 -1.614 28.043 8.047 1.00 0.00 C ATOM 1330 O VAL B 30 -2.840 28.051 8.149 1.00 0.00 O ATOM 1331 CB VAL B 30 -0.485 26.661 6.276 1.00 0.00 C ATOM 1332 CG1 VAL B 30 -1.633 25.663 6.338 1.00 0.00 C ATOM 1333 CG2 VAL B 30 0.128 26.682 4.884 1.00 0.00 C ATOM 0 H VAL B 30 1.065 28.617 6.538 1.00 0.00 H new ATOM 0 HA VAL B 30 -1.703 28.409 5.948 1.00 0.00 H new ATOM 0 HB VAL B 30 0.274 26.343 6.991 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.271 24.674 6.055 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.030 25.628 7.352 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -2.421 25.971 5.651 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.458 25.678 4.616 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.616 27.024 4.164 1.00 0.00 H new ATOM 0 HG23 VAL B 30 0.982 27.359 4.873 1.00 0.00 H new ATOM 1343 N LYS B 31 -0.810 28.012 9.104 1.00 0.00 N ATOM 1344 CA LYS B 31 -1.352 27.987 10.457 1.00 0.00 C ATOM 1345 C LYS B 31 -2.096 29.283 10.760 1.00 0.00 C ATOM 1346 O LYS B 31 -3.197 29.268 11.307 1.00 0.00 O ATOM 1347 CB LYS B 31 -0.229 27.781 11.477 1.00 0.00 C ATOM 1348 CG LYS B 31 -0.724 27.634 12.906 1.00 0.00 C ATOM 1349 CD LYS B 31 0.396 27.855 13.910 1.00 0.00 C ATOM 1350 CE LYS B 31 -0.119 27.811 15.340 1.00 0.00 C ATOM 1351 NZ LYS B 31 0.985 27.920 16.332 1.00 0.00 N ATOM 0 H LYS B 31 0.209 28.004 9.052 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.053 27.155 10.529 1.00 0.00 H new ATOM 0 HB2 LYS B 31 0.339 26.891 11.205 1.00 0.00 H new ATOM 0 HB3 LYS B 31 0.458 28.626 11.424 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.525 28.350 13.090 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -1.147 26.639 13.045 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.163 27.092 13.775 1.00 0.00 H new ATOM 0 HD3 LYS B 31 0.869 28.819 13.722 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -0.828 28.624 15.495 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.662 26.880 15.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 0.592 27.886 17.294 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 1.649 27.130 16.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 1.487 28.820 16.195 1.00 0.00 H new ATOM 1365 N GLN B 32 -1.487 30.404 10.391 1.00 0.00 N ATOM 1366 CA GLN B 32 -2.089 31.713 10.616 1.00 0.00 C ATOM 1367 C GLN B 32 -3.374 31.885 9.810 1.00 0.00 C ATOM 1368 O GLN B 32 -4.373 32.389 10.322 1.00 0.00 O ATOM 1369 CB GLN B 32 -1.096 32.821 10.257 1.00 0.00 C ATOM 1370 CG GLN B 32 -1.505 34.191 10.771 1.00 0.00 C ATOM 1371 CD GLN B 32 -1.017 34.453 12.183 1.00 0.00 C ATOM 1372 OE1 GLN B 32 0.150 34.223 12.501 1.00 0.00 O ATOM 1373 NE2 GLN B 32 -1.910 34.938 13.037 1.00 0.00 N ATOM 0 H GLN B 32 -0.576 30.433 9.934 1.00 0.00 H new ATOM 0 HA GLN B 32 -2.343 31.783 11.674 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -0.117 32.567 10.664 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -0.989 32.865 9.173 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -1.109 34.958 10.105 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -2.591 34.276 10.744 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -2.867 35.113 12.730 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -1.640 35.135 14.000 1.00 0.00 H new ATOM 1382 N PHE B 33 -3.345 31.465 8.546 1.00 0.00 N ATOM 1383 CA PHE B 33 -4.504 31.568 7.666 1.00 0.00 C ATOM 1384 C PHE B 33 -5.660 30.659 8.091 1.00 0.00 C ATOM 1385 O PHE B 33 -6.810 31.093 8.128 1.00 0.00 O ATOM 1386 CB PHE B 33 -4.053 31.302 6.220 1.00 0.00 C ATOM 1387 CG PHE B 33 -5.125 30.839 5.272 1.00 0.00 C ATOM 1388 CD1 PHE B 33 -6.265 31.592 5.037 1.00 0.00 C ATOM 1389 CD2 PHE B 33 -4.958 29.650 4.585 1.00 0.00 C ATOM 1390 CE1 PHE B 33 -7.225 31.153 4.140 1.00 0.00 C ATOM 1391 CE2 PHE B 33 -5.912 29.206 3.690 1.00 0.00 C ATOM 1392 CZ PHE B 33 -7.048 29.957 3.466 1.00 0.00 C ATOM 0 H PHE B 33 -2.524 31.047 8.108 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.905 32.579 7.738 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -3.614 32.217 5.823 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.263 30.552 6.239 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -6.406 32.528 5.557 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -4.069 29.060 4.751 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -8.112 31.744 3.966 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -5.769 28.272 3.166 1.00 0.00 H new ATOM 0 HZ PHE B 33 -7.796 29.613 2.767 1.00 0.00 H new ATOM 1402 N PHE B 34 -5.361 29.402 8.394 1.00 0.00 N ATOM 1403 CA PHE B 34 -6.398 28.457 8.797 1.00 0.00 C ATOM 1404 C PHE B 34 -6.840 28.637 10.257 1.00 0.00 C ATOM 1405 O PHE B 34 -8.004 28.410 10.583 1.00 0.00 O ATOM 1406 CB PHE B 34 -5.957 27.024 8.509 1.00 0.00 C ATOM 1407 CG PHE B 34 -6.066 26.692 7.045 1.00 0.00 C ATOM 1408 CD1 PHE B 34 -7.286 26.803 6.395 1.00 0.00 C ATOM 1409 CD2 PHE B 34 -4.955 26.303 6.315 1.00 0.00 C ATOM 1410 CE1 PHE B 34 -7.398 26.524 5.047 1.00 0.00 C ATOM 1411 CE2 PHE B 34 -5.061 26.027 4.962 1.00 0.00 C ATOM 1412 CZ PHE B 34 -6.286 26.138 4.328 1.00 0.00 C ATOM 0 H PHE B 34 -4.418 29.014 8.369 1.00 0.00 H new ATOM 0 HA PHE B 34 -7.280 28.673 8.195 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -4.927 26.887 8.837 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.570 26.332 9.086 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -8.160 27.112 6.950 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -3.997 26.214 6.806 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -8.356 26.608 4.556 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -4.188 25.725 4.402 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.371 25.923 3.273 1.00 0.00 H new ATOM 1422 N ASN B 35 -5.927 29.060 11.133 1.00 0.00 N ATOM 1423 CA ASN B 35 -6.278 29.275 12.543 1.00 0.00 C ATOM 1424 C ASN B 35 -7.483 30.213 12.674 1.00 0.00 C ATOM 1425 O ASN B 35 -8.261 30.115 13.622 1.00 0.00 O ATOM 1426 CB ASN B 35 -5.086 29.823 13.340 1.00 0.00 C ATOM 1427 CG ASN B 35 -4.118 28.740 13.799 1.00 0.00 C ATOM 1428 OD1 ASN B 35 -3.447 28.896 14.820 1.00 0.00 O ATOM 1429 ND2 ASN B 35 -4.041 27.636 13.063 1.00 0.00 N ATOM 0 H ASN B 35 -4.954 29.258 10.900 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.548 28.306 12.962 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -4.548 30.545 12.725 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -5.458 30.361 14.212 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -3.411 26.883 13.338 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -4.612 27.542 12.223 1.00 0.00 H new ATOM 1436 N ASP B 36 -7.628 31.110 11.705 1.00 0.00 N ATOM 1437 CA ASP B 36 -8.734 32.069 11.677 1.00 0.00 C ATOM 1438 C ASP B 36 -10.096 31.370 11.592 1.00 0.00 C ATOM 1439 O ASP B 36 -11.131 31.978 11.867 1.00 0.00 O ATOM 1440 CB ASP B 36 -8.567 33.039 10.505 1.00 0.00 C ATOM 1441 CG ASP B 36 -7.217 33.730 10.517 1.00 0.00 C ATOM 1442 OD1 ASP B 36 -6.661 33.927 11.619 1.00 0.00 O ATOM 1443 OD2 ASP B 36 -6.714 34.073 9.426 1.00 0.00 O ATOM 0 H ASP B 36 -6.986 31.195 10.917 1.00 0.00 H new ATOM 0 HA ASP B 36 -8.706 32.626 12.613 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -8.686 32.496 9.567 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -9.357 33.789 10.542 1.00 0.00 H new ATOM 1448 N ASN B 37 -10.088 30.097 11.203 1.00 0.00 N ATOM 1449 CA ASN B 37 -11.330 29.333 11.079 1.00 0.00 C ATOM 1450 C ASN B 37 -11.530 28.361 12.245 1.00 0.00 C ATOM 1451 O ASN B 37 -12.651 27.918 12.499 1.00 0.00 O ATOM 1452 CB ASN B 37 -11.381 28.586 9.743 1.00 0.00 C ATOM 1453 CG ASN B 37 -10.466 27.379 9.704 1.00 0.00 C ATOM 1454 OD1 ASN B 37 -10.616 26.446 10.492 1.00 0.00 O ATOM 1455 ND2 ASN B 37 -9.516 27.390 8.778 1.00 0.00 N ATOM 0 H ASN B 37 -9.243 29.575 10.970 1.00 0.00 H new ATOM 0 HA ASN B 37 -12.149 30.051 11.110 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -12.405 28.265 9.551 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -11.106 29.270 8.940 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -8.872 26.603 8.698 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -9.429 28.186 8.146 1.00 0.00 H new ATOM 1462 N GLY B 38 -10.456 28.043 12.964 1.00 0.00 N ATOM 1463 CA GLY B 38 -10.576 27.140 14.100 1.00 0.00 C ATOM 1464 C GLY B 38 -9.593 25.981 14.072 1.00 0.00 C ATOM 1465 O GLY B 38 -9.764 25.006 14.803 1.00 0.00 O ATOM 0 H GLY B 38 -9.514 28.389 12.784 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -10.428 27.707 15.019 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -11.591 26.743 14.130 1.00 0.00 H new ATOM 1469 N VAL B 39 -8.561 26.080 13.239 1.00 0.00 N ATOM 1470 CA VAL B 39 -7.558 25.023 13.144 1.00 0.00 C ATOM 1471 C VAL B 39 -6.431 25.251 14.146 1.00 0.00 C ATOM 1472 O VAL B 39 -6.035 26.389 14.397 1.00 0.00 O ATOM 1473 CB VAL B 39 -6.962 24.933 11.726 1.00 0.00 C ATOM 1474 CG1 VAL B 39 -6.036 23.730 11.607 1.00 0.00 C ATOM 1475 CG2 VAL B 39 -8.069 24.865 10.685 1.00 0.00 C ATOM 0 H VAL B 39 -8.397 26.876 12.623 1.00 0.00 H new ATOM 0 HA VAL B 39 -8.063 24.085 13.372 1.00 0.00 H new ATOM 0 HB VAL B 39 -6.375 25.833 11.543 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -5.626 23.685 10.598 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -5.222 23.825 12.326 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -6.596 22.818 11.812 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -7.629 24.802 9.690 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.685 23.984 10.866 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.687 25.760 10.752 1.00 0.00 H new ATOM 1485 N ASP B 40 -5.916 24.165 14.717 1.00 0.00 N ATOM 1486 CA ASP B 40 -4.835 24.262 15.692 1.00 0.00 C ATOM 1487 C ASP B 40 -4.013 22.977 15.735 1.00 0.00 C ATOM 1488 O ASP B 40 -4.278 22.030 14.992 1.00 0.00 O ATOM 1489 CB ASP B 40 -5.400 24.564 17.082 1.00 0.00 C ATOM 1490 CG ASP B 40 -6.090 25.912 17.146 1.00 0.00 C ATOM 1491 OD1 ASP B 40 -5.406 26.917 17.430 1.00 0.00 O ATOM 1492 OD2 ASP B 40 -7.316 25.963 16.912 1.00 0.00 O ATOM 0 H ASP B 40 -6.228 23.214 14.523 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.180 25.077 15.385 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.108 23.783 17.361 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -4.592 24.538 17.813 1.00 0.00 H new ATOM 1497 N GLY B 41 -3.013 22.954 16.610 1.00 0.00 N ATOM 1498 CA GLY B 41 -2.159 21.787 16.740 1.00 0.00 C ATOM 1499 C GLY B 41 -0.711 22.096 16.412 1.00 0.00 C ATOM 1500 O GLY B 41 -0.221 23.186 16.709 1.00 0.00 O ATOM 0 H GLY B 41 -2.778 23.726 17.234 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -2.225 21.403 17.758 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -2.520 21.000 16.078 1.00 0.00 H new ATOM 1504 N GLU B 42 -0.023 21.138 15.798 1.00 0.00 N ATOM 1505 CA GLU B 42 1.377 21.322 15.433 1.00 0.00 C ATOM 1506 C GLU B 42 1.728 20.529 14.178 1.00 0.00 C ATOM 1507 O GLU B 42 1.065 19.546 13.847 1.00 0.00 O ATOM 1508 CB GLU B 42 2.287 20.900 16.588 1.00 0.00 C ATOM 1509 CG GLU B 42 2.372 21.930 17.701 1.00 0.00 C ATOM 1510 CD GLU B 42 3.654 21.817 18.503 1.00 0.00 C ATOM 1511 OE1 GLU B 42 4.739 21.773 17.886 1.00 0.00 O ATOM 1512 OE2 GLU B 42 3.573 21.771 19.749 1.00 0.00 O ATOM 0 H GLU B 42 -0.411 20.230 15.544 1.00 0.00 H new ATOM 0 HA GLU B 42 1.532 22.380 15.223 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.923 19.959 17.001 1.00 0.00 H new ATOM 0 HB3 GLU B 42 3.288 20.712 16.201 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.303 22.930 17.272 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.519 21.810 18.368 1.00 0.00 H new ATOM 1519 N TRP B 43 2.775 20.964 13.484 1.00 0.00 N ATOM 1520 CA TRP B 43 3.218 20.296 12.265 1.00 0.00 C ATOM 1521 C TRP B 43 3.897 18.974 12.582 1.00 0.00 C ATOM 1522 O TRP B 43 4.914 18.932 13.273 1.00 0.00 O ATOM 1523 CB TRP B 43 4.168 21.200 11.478 1.00 0.00 C ATOM 1524 CG TRP B 43 3.465 22.306 10.753 1.00 0.00 C ATOM 1525 CD1 TRP B 43 3.369 23.609 11.143 1.00 0.00 C ATOM 1526 CD2 TRP B 43 2.759 22.204 9.511 1.00 0.00 C ATOM 1527 NE1 TRP B 43 2.645 24.325 10.221 1.00 0.00 N ATOM 1528 CE2 TRP B 43 2.259 23.485 9.209 1.00 0.00 C ATOM 1529 CE3 TRP B 43 2.499 21.154 8.625 1.00 0.00 C ATOM 1530 CZ2 TRP B 43 1.516 23.742 8.060 1.00 0.00 C ATOM 1531 CZ3 TRP B 43 1.762 21.411 7.484 1.00 0.00 C ATOM 1532 CH2 TRP B 43 1.278 22.697 7.210 1.00 0.00 C ATOM 0 H TRP B 43 3.333 21.777 13.745 1.00 0.00 H new ATOM 0 HA TRP B 43 2.338 20.090 11.655 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.900 21.630 12.162 1.00 0.00 H new ATOM 0 HB3 TRP B 43 4.721 20.596 10.758 1.00 0.00 H new ATOM 0 HD1 TRP B 43 3.799 24.018 12.045 1.00 0.00 H new ATOM 0 HE1 TRP B 43 2.430 25.320 10.280 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.868 20.159 8.829 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 1.141 24.732 7.847 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.556 20.607 6.793 1.00 0.00 H new ATOM 0 HH2 TRP B 43 0.706 22.867 6.310 1.00 0.00 H new ATOM 1543 N THR B 44 3.326 17.894 12.063 1.00 0.00 N ATOM 1544 CA THR B 44 3.874 16.567 12.281 1.00 0.00 C ATOM 1545 C THR B 44 4.410 15.988 10.979 1.00 0.00 C ATOM 1546 O THR B 44 3.805 16.141 9.918 1.00 0.00 O ATOM 1547 CB THR B 44 2.811 15.640 12.872 1.00 0.00 C ATOM 1548 OG1 THR B 44 1.715 15.501 11.985 1.00 0.00 O ATOM 1549 CG2 THR B 44 2.269 16.122 14.201 1.00 0.00 C ATOM 0 H THR B 44 2.483 17.914 11.488 1.00 0.00 H new ATOM 0 HA THR B 44 4.698 16.650 12.989 1.00 0.00 H new ATOM 0 HB THR B 44 3.315 14.686 13.028 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.816 16.129 11.239 1.00 0.00 H new ATOM 0 HG21 THR B 44 1.519 15.419 14.565 1.00 0.00 H new ATOM 0 HG22 THR B 44 3.083 16.190 14.923 1.00 0.00 H new ATOM 0 HG23 THR B 44 1.814 17.104 14.074 1.00 0.00 H new ATOM 1557 N TYR B 45 5.543 15.313 11.078 1.00 0.00 N ATOM 1558 CA TYR B 45 6.170 14.691 9.918 1.00 0.00 C ATOM 1559 C TYR B 45 5.375 13.472 9.464 1.00 0.00 C ATOM 1560 O TYR B 45 4.787 12.764 10.282 1.00 0.00 O ATOM 1561 CB TYR B 45 7.612 14.291 10.239 1.00 0.00 C ATOM 1562 CG TYR B 45 8.590 15.441 10.155 1.00 0.00 C ATOM 1563 CD1 TYR B 45 9.099 15.854 8.930 1.00 0.00 C ATOM 1564 CD2 TYR B 45 9.004 16.114 11.298 1.00 0.00 C ATOM 1565 CE1 TYR B 45 9.993 16.904 8.846 1.00 0.00 C ATOM 1566 CE2 TYR B 45 9.897 17.166 11.222 1.00 0.00 C ATOM 1567 CZ TYR B 45 10.389 17.556 9.994 1.00 0.00 C ATOM 1568 OH TYR B 45 11.278 18.603 9.914 1.00 0.00 O ATOM 0 H TYR B 45 6.051 15.180 11.952 1.00 0.00 H new ATOM 0 HA TYR B 45 6.181 15.419 9.106 1.00 0.00 H new ATOM 0 HB2 TYR B 45 7.648 13.866 11.242 1.00 0.00 H new ATOM 0 HB3 TYR B 45 7.925 13.507 9.550 1.00 0.00 H new ATOM 0 HD1 TYR B 45 8.791 15.346 8.028 1.00 0.00 H new ATOM 0 HD2 TYR B 45 8.622 15.810 12.261 1.00 0.00 H new ATOM 0 HE1 TYR B 45 10.380 17.212 7.886 1.00 0.00 H new ATOM 0 HE2 TYR B 45 10.208 17.680 12.119 1.00 0.00 H new ATOM 0 HH TYR B 45 11.452 18.954 10.812 1.00 0.00 H new ATOM 1578 N ASP B 46 5.359 13.232 8.157 1.00 0.00 N ATOM 1579 CA ASP B 46 4.633 12.097 7.601 1.00 0.00 C ATOM 1580 C ASP B 46 5.339 10.785 7.932 1.00 0.00 C ATOM 1581 O ASP B 46 6.546 10.765 8.174 1.00 0.00 O ATOM 1582 CB ASP B 46 4.504 12.235 6.082 1.00 0.00 C ATOM 1583 CG ASP B 46 3.386 13.173 5.673 1.00 0.00 C ATOM 1584 OD1 ASP B 46 3.629 14.396 5.612 1.00 0.00 O ATOM 1585 OD2 ASP B 46 2.267 12.683 5.411 1.00 0.00 O ATOM 0 H ASP B 46 5.839 13.807 7.465 1.00 0.00 H new ATOM 0 HA ASP B 46 3.639 12.087 8.048 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.446 12.599 5.673 1.00 0.00 H new ATOM 0 HB3 ASP B 46 4.326 11.252 5.646 1.00 0.00 H new ATOM 1590 N ASP B 47 4.581 9.694 7.940 1.00 0.00 N ATOM 1591 CA ASP B 47 5.140 8.381 8.240 1.00 0.00 C ATOM 1592 C ASP B 47 6.103 7.943 7.141 1.00 0.00 C ATOM 1593 O ASP B 47 5.830 8.122 5.954 1.00 0.00 O ATOM 1594 CB ASP B 47 4.020 7.350 8.398 1.00 0.00 C ATOM 1595 CG ASP B 47 3.115 7.655 9.575 1.00 0.00 C ATOM 1596 OD1 ASP B 47 3.629 8.117 10.616 1.00 0.00 O ATOM 1597 OD2 ASP B 47 1.892 7.430 9.458 1.00 0.00 O ATOM 0 H ASP B 47 3.580 9.693 7.743 1.00 0.00 H new ATOM 0 HA ASP B 47 5.691 8.450 9.178 1.00 0.00 H new ATOM 0 HB2 ASP B 47 3.426 7.320 7.485 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.457 6.360 8.526 1.00 0.00 H new ATOM 1602 N ALA B 48 7.239 7.380 7.544 1.00 0.00 N ATOM 1603 CA ALA B 48 8.252 6.929 6.596 1.00 0.00 C ATOM 1604 C ALA B 48 7.674 5.963 5.566 1.00 0.00 C ATOM 1605 O ALA B 48 6.896 5.069 5.901 1.00 0.00 O ATOM 1606 CB ALA B 48 9.410 6.279 7.338 1.00 0.00 C ATOM 0 H ALA B 48 7.481 7.225 8.523 1.00 0.00 H new ATOM 0 HA ALA B 48 8.615 7.804 6.057 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.160 5.946 6.621 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.856 7.002 8.021 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.044 5.423 7.905 1.00 0.00 H new ATOM 1612 N THR B 49 8.069 6.152 4.311 1.00 0.00 N ATOM 1613 CA THR B 49 7.606 5.305 3.217 1.00 0.00 C ATOM 1614 C THR B 49 8.779 4.852 2.353 1.00 0.00 C ATOM 1615 O THR B 49 9.826 5.498 2.328 1.00 0.00 O ATOM 1616 CB THR B 49 6.583 6.052 2.359 1.00 0.00 C ATOM 1617 OG1 THR B 49 5.587 6.650 3.171 1.00 0.00 O ATOM 1618 CG2 THR B 49 5.883 5.163 1.354 1.00 0.00 C ATOM 0 H THR B 49 8.713 6.889 4.025 1.00 0.00 H new ATOM 0 HA THR B 49 7.130 4.424 3.648 1.00 0.00 H new ATOM 0 HB THR B 49 7.155 6.805 1.818 1.00 0.00 H new ATOM 0 HG1 THR B 49 4.944 7.124 2.604 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.171 5.755 0.778 1.00 0.00 H new ATOM 0 HG22 THR B 49 6.620 4.725 0.680 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.353 4.368 1.878 1.00 0.00 H new ATOM 1626 N LYS B 50 8.601 3.737 1.651 1.00 0.00 N ATOM 1627 CA LYS B 50 9.654 3.206 0.793 1.00 0.00 C ATOM 1628 C LYS B 50 9.231 3.225 -0.673 1.00 0.00 C ATOM 1629 O LYS B 50 8.054 3.061 -0.995 1.00 0.00 O ATOM 1630 CB LYS B 50 10.010 1.778 1.216 1.00 0.00 C ATOM 1631 CG LYS B 50 11.471 1.423 0.995 1.00 0.00 C ATOM 1632 CD LYS B 50 12.340 1.897 2.149 1.00 0.00 C ATOM 1633 CE LYS B 50 12.093 1.078 3.406 1.00 0.00 C ATOM 1634 NZ LYS B 50 13.148 0.049 3.616 1.00 0.00 N ATOM 0 H LYS B 50 7.742 3.186 1.659 1.00 0.00 H new ATOM 0 HA LYS B 50 10.532 3.843 0.903 1.00 0.00 H new ATOM 0 HB2 LYS B 50 9.770 1.650 2.271 1.00 0.00 H new ATOM 0 HB3 LYS B 50 9.387 1.078 0.660 1.00 0.00 H new ATOM 0 HG2 LYS B 50 11.571 0.343 0.882 1.00 0.00 H new ATOM 0 HG3 LYS B 50 11.820 1.874 0.066 1.00 0.00 H new ATOM 0 HD2 LYS B 50 13.391 1.826 1.868 1.00 0.00 H new ATOM 0 HD3 LYS B 50 12.135 2.948 2.352 1.00 0.00 H new ATOM 0 HE2 LYS B 50 12.056 1.742 4.270 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.120 0.591 3.337 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 12.942 -0.487 4.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 13.166 -0.600 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 14.073 0.514 3.708 1.00 0.00 H new ATOM 1648 N THR B 51 10.204 3.426 -1.555 1.00 0.00 N ATOM 1649 CA THR B 51 9.950 3.470 -2.990 1.00 0.00 C ATOM 1650 C THR B 51 11.080 2.776 -3.747 1.00 0.00 C ATOM 1651 O THR B 51 12.251 3.116 -3.580 1.00 0.00 O ATOM 1652 CB THR B 51 9.797 4.925 -3.449 1.00 0.00 C ATOM 1653 OG1 THR B 51 8.627 5.499 -2.895 1.00 0.00 O ATOM 1654 CG2 THR B 51 9.709 5.082 -4.954 1.00 0.00 C ATOM 0 H THR B 51 11.182 3.562 -1.299 1.00 0.00 H new ATOM 0 HA THR B 51 9.022 2.941 -3.206 1.00 0.00 H new ATOM 0 HB THR B 51 10.698 5.430 -3.102 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.710 6.475 -2.896 1.00 0.00 H new ATOM 0 HG21 THR B 51 9.602 6.138 -5.204 1.00 0.00 H new ATOM 0 HG22 THR B 51 10.616 4.690 -5.414 1.00 0.00 H new ATOM 0 HG23 THR B 51 8.846 4.531 -5.327 1.00 0.00 H new ATOM 1662 N PHE B 52 10.720 1.801 -4.578 1.00 0.00 N ATOM 1663 CA PHE B 52 11.704 1.057 -5.359 1.00 0.00 C ATOM 1664 C PHE B 52 12.116 1.821 -6.613 1.00 0.00 C ATOM 1665 O PHE B 52 11.296 2.072 -7.495 1.00 0.00 O ATOM 1666 CB PHE B 52 11.150 -0.315 -5.750 1.00 0.00 C ATOM 1667 CG PHE B 52 12.175 -1.218 -6.380 1.00 0.00 C ATOM 1668 CD1 PHE B 52 13.016 -1.987 -5.592 1.00 0.00 C ATOM 1669 CD2 PHE B 52 12.296 -1.294 -7.757 1.00 0.00 C ATOM 1670 CE1 PHE B 52 13.960 -2.817 -6.169 1.00 0.00 C ATOM 1671 CE2 PHE B 52 13.238 -2.122 -8.340 1.00 0.00 C ATOM 1672 CZ PHE B 52 14.071 -2.884 -7.544 1.00 0.00 C ATOM 0 H PHE B 52 9.755 1.508 -4.728 1.00 0.00 H new ATOM 0 HA PHE B 52 12.587 0.926 -4.733 1.00 0.00 H new ATOM 0 HB2 PHE B 52 10.745 -0.801 -4.862 1.00 0.00 H new ATOM 0 HB3 PHE B 52 10.321 -0.179 -6.445 1.00 0.00 H new ATOM 0 HD1 PHE B 52 12.934 -1.938 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE B 52 11.647 -0.700 -8.383 1.00 0.00 H new ATOM 0 HE1 PHE B 52 14.610 -3.412 -5.545 1.00 0.00 H new ATOM 0 HE2 PHE B 52 13.322 -2.173 -9.416 1.00 0.00 H new ATOM 0 HZ PHE B 52 14.808 -3.531 -7.996 1.00 0.00 H new ATOM 1682 N THR B 53 13.393 2.175 -6.695 1.00 0.00 N ATOM 1683 CA THR B 53 13.908 2.892 -7.855 1.00 0.00 C ATOM 1684 C THR B 53 14.456 1.909 -8.886 1.00 0.00 C ATOM 1685 O THR B 53 15.330 1.100 -8.578 1.00 0.00 O ATOM 1686 CB THR B 53 15.000 3.879 -7.435 1.00 0.00 C ATOM 1687 OG1 THR B 53 14.498 4.810 -6.493 1.00 0.00 O ATOM 1688 CG2 THR B 53 15.576 4.664 -8.594 1.00 0.00 C ATOM 0 H THR B 53 14.088 1.978 -5.975 1.00 0.00 H new ATOM 0 HA THR B 53 13.088 3.452 -8.305 1.00 0.00 H new ATOM 0 HB THR B 53 15.792 3.267 -7.003 1.00 0.00 H new ATOM 0 HG1 THR B 53 14.204 4.335 -5.688 1.00 0.00 H new ATOM 0 HG21 THR B 53 16.344 5.345 -8.227 1.00 0.00 H new ATOM 0 HG22 THR B 53 16.016 3.976 -9.316 1.00 0.00 H new ATOM 0 HG23 THR B 53 14.783 5.237 -9.075 1.00 0.00 H new ATOM 1696 N VAL B 54 13.933 1.976 -10.106 1.00 0.00 N ATOM 1697 CA VAL B 54 14.373 1.080 -11.170 1.00 0.00 C ATOM 1698 C VAL B 54 15.784 1.426 -11.628 1.00 0.00 C ATOM 1699 O VAL B 54 16.242 2.557 -11.466 1.00 0.00 O ATOM 1700 CB VAL B 54 13.430 1.129 -12.388 1.00 0.00 C ATOM 1701 CG1 VAL B 54 13.698 -0.048 -13.314 1.00 0.00 C ATOM 1702 CG2 VAL B 54 11.975 1.147 -11.947 1.00 0.00 C ATOM 0 H VAL B 54 13.208 2.638 -10.382 1.00 0.00 H new ATOM 0 HA VAL B 54 14.358 0.073 -10.753 1.00 0.00 H new ATOM 0 HB VAL B 54 13.626 2.051 -12.936 1.00 0.00 H new ATOM 0 HG11 VAL B 54 13.024 0.001 -14.169 1.00 0.00 H new ATOM 0 HG12 VAL B 54 14.730 -0.009 -13.663 1.00 0.00 H new ATOM 0 HG13 VAL B 54 13.532 -0.981 -12.774 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.329 1.182 -12.824 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.758 0.247 -11.372 1.00 0.00 H new ATOM 0 HG23 VAL B 54 11.793 2.026 -11.328 1.00 0.00 H new ATOM 1712 N THR B 55 16.468 0.442 -12.201 1.00 0.00 N ATOM 1713 CA THR B 55 17.829 0.640 -12.685 1.00 0.00 C ATOM 1714 C THR B 55 18.107 -0.232 -13.903 1.00 0.00 C ATOM 1715 O THR B 55 18.241 0.266 -15.020 1.00 0.00 O ATOM 1716 CB THR B 55 18.835 0.329 -11.576 1.00 0.00 C ATOM 1717 OG1 THR B 55 18.581 1.124 -10.431 1.00 0.00 O ATOM 1718 CG2 THR B 55 20.272 0.567 -11.988 1.00 0.00 C ATOM 0 H THR B 55 16.103 -0.500 -12.342 1.00 0.00 H new ATOM 0 HA THR B 55 17.936 1.684 -12.980 1.00 0.00 H new ATOM 0 HB THR B 55 18.706 -0.731 -11.358 1.00 0.00 H new ATOM 0 HG1 THR B 55 19.321 1.029 -9.796 1.00 0.00 H new ATOM 0 HG21 THR B 55 20.934 0.327 -11.156 1.00 0.00 H new ATOM 0 HG22 THR B 55 20.516 -0.068 -12.840 1.00 0.00 H new ATOM 0 HG23 THR B 55 20.402 1.613 -12.266 1.00 0.00 H new ATOM 1726 N GLU B 56 18.191 -1.536 -13.677 1.00 0.00 N ATOM 1727 CA GLU B 56 18.453 -2.485 -14.753 1.00 0.00 C ATOM 1728 C GLU B 56 17.165 -3.167 -15.204 1.00 0.00 C ATOM 1729 O GLU B 56 16.081 -2.737 -14.760 1.00 0.00 O ATOM 1730 CB GLU B 56 19.470 -3.534 -14.301 1.00 0.00 C ATOM 1731 CG GLU B 56 20.913 -3.077 -14.433 1.00 0.00 C ATOM 1732 CD GLU B 56 21.901 -4.219 -14.292 1.00 0.00 C ATOM 1733 OE1 GLU B 56 21.595 -5.182 -13.557 1.00 0.00 O ATOM 1734 OE2 GLU B 56 22.979 -4.152 -14.917 1.00 0.00 O ATOM 1735 OXT GLU B 56 17.252 -4.128 -15.999 1.00 0.00 O ATOM 0 H GLU B 56 18.081 -1.962 -12.757 1.00 0.00 H new ATOM 0 HA GLU B 56 18.864 -1.933 -15.598 1.00 0.00 H new ATOM 0 HB2 GLU B 56 19.274 -3.794 -13.261 1.00 0.00 H new ATOM 0 HB3 GLU B 56 19.330 -4.441 -14.889 1.00 0.00 H new ATOM 0 HG2 GLU B 56 21.052 -2.599 -15.403 1.00 0.00 H new ATOM 0 HG3 GLU B 56 21.123 -2.324 -13.673 1.00 0.00 H new ATOM 1743 N MET C 1 5.359 0.179 8.243 1.00 0.00 N ATOM 1744 CA MET C 1 6.180 0.586 7.075 1.00 0.00 C ATOM 1745 C MET C 1 5.336 0.651 5.805 1.00 0.00 C ATOM 1746 O MET C 1 4.825 -0.365 5.336 1.00 0.00 O ATOM 1747 CB MET C 1 7.320 -0.422 6.905 1.00 0.00 C ATOM 1748 CG MET C 1 8.655 0.219 6.559 1.00 0.00 C ATOM 1749 SD MET C 1 8.813 0.588 4.801 1.00 0.00 S ATOM 1750 CE MET C 1 8.570 2.363 4.806 1.00 0.00 C ATOM 0 H1 MET C 1 5.958 0.143 9.093 1.00 0.00 H new ATOM 0 H2 MET C 1 4.594 0.869 8.387 1.00 0.00 H new ATOM 0 H3 MET C 1 4.949 -0.761 8.068 1.00 0.00 H new ATOM 0 HA MET C 1 6.585 1.583 7.250 1.00 0.00 H new ATOM 0 HB2 MET C 1 7.429 -0.993 7.827 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.053 -1.131 6.121 1.00 0.00 H new ATOM 0 HG2 MET C 1 8.771 1.139 7.131 1.00 0.00 H new ATOM 0 HG3 MET C 1 9.463 -0.448 6.860 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.129 2.809 3.983 1.00 0.00 H new ATOM 0 HE2 MET C 1 7.510 2.585 4.687 1.00 0.00 H new ATOM 0 HE3 MET C 1 8.924 2.776 5.751 1.00 0.00 H new ATOM 1762 N GLN C 2 5.200 1.852 5.252 1.00 0.00 N ATOM 1763 CA GLN C 2 4.421 2.051 4.036 1.00 0.00 C ATOM 1764 C GLN C 2 5.292 1.828 2.807 1.00 0.00 C ATOM 1765 O GLN C 2 6.343 2.451 2.657 1.00 0.00 O ATOM 1766 CB GLN C 2 3.825 3.459 4.008 1.00 0.00 C ATOM 1767 CG GLN C 2 2.792 3.662 2.910 1.00 0.00 C ATOM 1768 CD GLN C 2 2.320 5.100 2.813 1.00 0.00 C ATOM 1769 OE1 GLN C 2 2.526 5.766 1.798 1.00 0.00 O ATOM 1770 NE2 GLN C 2 1.683 5.588 3.871 1.00 0.00 N ATOM 0 H GLN C 2 5.620 2.703 5.627 1.00 0.00 H new ATOM 0 HA GLN C 2 3.607 1.326 4.026 1.00 0.00 H new ATOM 0 HB2 GLN C 2 3.363 3.668 4.973 1.00 0.00 H new ATOM 0 HB3 GLN C 2 4.630 4.182 3.876 1.00 0.00 H new ATOM 0 HG2 GLN C 2 3.219 3.358 1.954 1.00 0.00 H new ATOM 0 HG3 GLN C 2 1.936 3.014 3.097 1.00 0.00 H new ATOM 0 HE21 GLN C 2 1.534 5.001 4.692 1.00 0.00 H new ATOM 0 HE22 GLN C 2 1.343 6.550 3.863 1.00 0.00 H new ATOM 1779 N TYR C 3 4.857 0.924 1.934 1.00 0.00 N ATOM 1780 CA TYR C 3 5.612 0.609 0.728 1.00 0.00 C ATOM 1781 C TYR C 3 4.926 1.135 -0.528 1.00 0.00 C ATOM 1782 O TYR C 3 3.757 0.846 -0.789 1.00 0.00 O ATOM 1783 CB TYR C 3 5.822 -0.901 0.617 1.00 0.00 C ATOM 1784 CG TYR C 3 6.952 -1.414 1.481 1.00 0.00 C ATOM 1785 CD1 TYR C 3 8.276 -1.255 1.090 1.00 0.00 C ATOM 1786 CD2 TYR C 3 6.697 -2.053 2.688 1.00 0.00 C ATOM 1787 CE1 TYR C 3 9.313 -1.719 1.877 1.00 0.00 C ATOM 1788 CE2 TYR C 3 7.728 -2.518 3.481 1.00 0.00 C ATOM 1789 CZ TYR C 3 9.034 -2.349 3.071 1.00 0.00 C ATOM 1790 OH TYR C 3 10.064 -2.811 3.858 1.00 0.00 O ATOM 0 H TYR C 3 3.989 0.399 2.039 1.00 0.00 H new ATOM 0 HA TYR C 3 6.579 1.106 0.808 1.00 0.00 H new ATOM 0 HB2 TYR C 3 4.900 -1.410 0.897 1.00 0.00 H new ATOM 0 HB3 TYR C 3 6.024 -1.157 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR C 3 8.498 -0.761 0.156 1.00 0.00 H new ATOM 0 HD2 TYR C 3 5.676 -2.188 3.012 1.00 0.00 H new ATOM 0 HE1 TYR C 3 10.337 -1.589 1.558 1.00 0.00 H new ATOM 0 HE2 TYR C 3 7.513 -3.011 4.417 1.00 0.00 H new ATOM 0 HH TYR C 3 10.520 -3.548 3.401 1.00 0.00 H new ATOM 1800 N LYS C 4 5.680 1.908 -1.303 1.00 0.00 N ATOM 1801 CA LYS C 4 5.177 2.483 -2.545 1.00 0.00 C ATOM 1802 C LYS C 4 5.784 1.769 -3.749 1.00 0.00 C ATOM 1803 O LYS C 4 7.003 1.733 -3.911 1.00 0.00 O ATOM 1804 CB LYS C 4 5.489 3.981 -2.604 1.00 0.00 C ATOM 1805 CG LYS C 4 4.291 4.863 -2.290 1.00 0.00 C ATOM 1806 CD LYS C 4 4.712 6.295 -1.995 1.00 0.00 C ATOM 1807 CE LYS C 4 4.912 7.092 -3.275 1.00 0.00 C ATOM 1808 NZ LYS C 4 5.396 8.472 -2.999 1.00 0.00 N ATOM 0 H LYS C 4 6.647 2.152 -1.091 1.00 0.00 H new ATOM 0 HA LYS C 4 4.095 2.351 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS C 4 6.290 4.205 -1.899 1.00 0.00 H new ATOM 0 HB3 LYS C 4 5.861 4.228 -3.598 1.00 0.00 H new ATOM 0 HG2 LYS C 4 3.600 4.853 -3.133 1.00 0.00 H new ATOM 0 HG3 LYS C 4 3.754 4.457 -1.433 1.00 0.00 H new ATOM 0 HD2 LYS C 4 3.954 6.779 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS C 4 5.637 6.292 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS C 4 5.628 6.577 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS C 4 3.971 7.140 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 5.568 8.966 -3.898 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 4.678 8.989 -2.452 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 6.280 8.427 -2.454 1.00 0.00 H new ATOM 1822 N VAL C 5 4.924 1.191 -4.583 1.00 0.00 N ATOM 1823 CA VAL C 5 5.383 0.467 -5.764 1.00 0.00 C ATOM 1824 C VAL C 5 4.472 0.711 -6.963 1.00 0.00 C ATOM 1825 O VAL C 5 3.254 0.569 -6.872 1.00 0.00 O ATOM 1826 CB VAL C 5 5.457 -1.049 -5.497 1.00 0.00 C ATOM 1827 CG1 VAL C 5 6.129 -1.766 -6.659 1.00 0.00 C ATOM 1828 CG2 VAL C 5 6.191 -1.328 -4.194 1.00 0.00 C ATOM 0 H VAL C 5 3.911 1.210 -4.464 1.00 0.00 H new ATOM 0 HA VAL C 5 6.380 0.845 -5.991 1.00 0.00 H new ATOM 0 HB VAL C 5 4.440 -1.431 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL C 5 6.172 -2.835 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL C 5 5.557 -1.596 -7.571 1.00 0.00 H new ATOM 0 HG13 VAL C 5 7.141 -1.381 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL C 5 6.233 -2.404 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL C 5 7.204 -0.931 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL C 5 5.663 -0.850 -3.369 1.00 0.00 H new ATOM 1838 N ILE C 6 5.081 1.077 -8.086 1.00 0.00 N ATOM 1839 CA ILE C 6 4.336 1.341 -9.311 1.00 0.00 C ATOM 1840 C ILE C 6 4.249 0.085 -10.175 1.00 0.00 C ATOM 1841 O ILE C 6 5.266 -0.432 -10.635 1.00 0.00 O ATOM 1842 CB ILE C 6 4.992 2.470 -10.131 1.00 0.00 C ATOM 1843 CG1 ILE C 6 5.280 3.679 -9.240 1.00 0.00 C ATOM 1844 CG2 ILE C 6 4.100 2.866 -11.299 1.00 0.00 C ATOM 1845 CD1 ILE C 6 6.009 4.798 -9.952 1.00 0.00 C ATOM 0 H ILE C 6 6.090 1.198 -8.173 1.00 0.00 H new ATOM 0 HA ILE C 6 3.333 1.651 -9.017 1.00 0.00 H new ATOM 0 HB ILE C 6 5.938 2.104 -10.530 1.00 0.00 H new ATOM 0 HG12 ILE C 6 4.338 4.063 -8.847 1.00 0.00 H new ATOM 0 HG13 ILE C 6 5.874 3.356 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE C 6 4.578 3.664 -11.867 1.00 0.00 H new ATOM 0 HG22 ILE C 6 3.943 2.003 -11.946 1.00 0.00 H new ATOM 0 HG23 ILE C 6 3.139 3.215 -10.921 1.00 0.00 H new ATOM 0 HD11 ILE C 6 6.179 5.621 -9.258 1.00 0.00 H new ATOM 0 HD12 ILE C 6 6.967 4.431 -10.321 1.00 0.00 H new ATOM 0 HD13 ILE C 6 5.407 5.149 -10.790 1.00 0.00 H new ATOM 1857 N LEU C 7 3.029 -0.400 -10.394 1.00 0.00 N ATOM 1858 CA LEU C 7 2.820 -1.594 -11.206 1.00 0.00 C ATOM 1859 C LEU C 7 1.675 -1.390 -12.195 1.00 0.00 C ATOM 1860 O LEU C 7 0.512 -1.288 -11.802 1.00 0.00 O ATOM 1861 CB LEU C 7 2.524 -2.800 -10.310 1.00 0.00 C ATOM 1862 CG LEU C 7 3.057 -4.140 -10.825 1.00 0.00 C ATOM 1863 CD1 LEU C 7 4.570 -4.200 -10.689 1.00 0.00 C ATOM 1864 CD2 LEU C 7 2.408 -5.297 -10.078 1.00 0.00 C ATOM 0 H LEU C 7 2.174 0.014 -10.022 1.00 0.00 H new ATOM 0 HA LEU C 7 3.734 -1.782 -11.770 1.00 0.00 H new ATOM 0 HB2 LEU C 7 2.949 -2.613 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU C 7 1.445 -2.881 -10.182 1.00 0.00 H new ATOM 0 HG LEU C 7 2.802 -4.227 -11.881 1.00 0.00 H new ATOM 0 HD11 LEU C 7 4.931 -5.159 -11.060 1.00 0.00 H new ATOM 0 HD12 LEU C 7 5.020 -3.394 -11.269 1.00 0.00 H new ATOM 0 HD13 LEU C 7 4.846 -4.090 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU C 7 2.799 -6.241 -10.458 1.00 0.00 H new ATOM 0 HD22 LEU C 7 2.631 -5.214 -9.014 1.00 0.00 H new ATOM 0 HD23 LEU C 7 1.329 -5.266 -10.226 1.00 0.00 H new ATOM 2079 N ASP C 22 1.353 -6.224 -14.056 1.00 0.00 N ATOM 2080 CA ASP C 22 -0.049 -5.832 -14.138 1.00 0.00 C ATOM 2081 C ASP C 22 -0.624 -5.520 -12.765 1.00 0.00 C ATOM 2082 O ASP C 22 -0.310 -6.179 -11.775 1.00 0.00 O ATOM 2083 CB ASP C 22 -0.867 -6.939 -14.802 1.00 0.00 C ATOM 2084 CG ASP C 22 -2.194 -6.435 -15.336 1.00 0.00 C ATOM 2085 OD1 ASP C 22 -3.138 -6.282 -14.532 1.00 0.00 O ATOM 2086 OD2 ASP C 22 -2.289 -6.193 -16.557 1.00 0.00 O ATOM 0 HA ASP C 22 -0.104 -4.926 -14.741 1.00 0.00 H new ATOM 0 HB2 ASP C 22 -0.291 -7.373 -15.619 1.00 0.00 H new ATOM 0 HB3 ASP C 22 -1.048 -7.736 -14.081 1.00 0.00 H new ATOM 2091 N ALA C 23 -1.473 -4.505 -12.722 1.00 0.00 N ATOM 2092 CA ALA C 23 -2.114 -4.083 -11.488 1.00 0.00 C ATOM 2093 C ALA C 23 -2.816 -5.255 -10.802 1.00 0.00 C ATOM 2094 O ALA C 23 -2.738 -5.411 -9.584 1.00 0.00 O ATOM 2095 CB ALA C 23 -3.094 -2.965 -11.789 1.00 0.00 C ATOM 0 H ALA C 23 -1.736 -3.953 -13.538 1.00 0.00 H new ATOM 0 HA ALA C 23 -1.352 -3.716 -10.801 1.00 0.00 H new ATOM 0 HB1 ALA C 23 -3.577 -2.646 -10.865 1.00 0.00 H new ATOM 0 HB2 ALA C 23 -2.561 -2.123 -12.230 1.00 0.00 H new ATOM 0 HB3 ALA C 23 -3.850 -3.322 -12.489 1.00 0.00 H new ATOM 2101 N ALA C 24 -3.494 -6.080 -11.596 1.00 0.00 N ATOM 2102 CA ALA C 24 -4.202 -7.243 -11.072 1.00 0.00 C ATOM 2103 C ALA C 24 -3.223 -8.269 -10.511 1.00 0.00 C ATOM 2104 O ALA C 24 -3.530 -8.979 -9.552 1.00 0.00 O ATOM 2105 CB ALA C 24 -5.065 -7.870 -12.156 1.00 0.00 C ATOM 0 H ALA C 24 -3.568 -5.963 -12.607 1.00 0.00 H new ATOM 0 HA ALA C 24 -4.848 -6.911 -10.259 1.00 0.00 H new ATOM 0 HB1 ALA C 24 -5.587 -8.736 -11.750 1.00 0.00 H new ATOM 0 HB2 ALA C 24 -5.794 -7.140 -12.509 1.00 0.00 H new ATOM 0 HB3 ALA C 24 -4.434 -8.184 -12.988 1.00 0.00 H new ATOM 2111 N THR C 25 -2.040 -8.338 -11.114 1.00 0.00 N ATOM 2112 CA THR C 25 -1.007 -9.272 -10.677 1.00 0.00 C ATOM 2113 C THR C 25 -0.574 -8.946 -9.253 1.00 0.00 C ATOM 2114 O THR C 25 -0.294 -9.839 -8.453 1.00 0.00 O ATOM 2115 CB THR C 25 0.192 -9.206 -11.630 1.00 0.00 C ATOM 2116 OG1 THR C 25 -0.158 -9.711 -12.906 1.00 0.00 O ATOM 2117 CG2 THR C 25 1.401 -9.980 -11.150 1.00 0.00 C ATOM 0 H THR C 25 -1.772 -7.757 -11.908 1.00 0.00 H new ATOM 0 HA THR C 25 -1.412 -10.284 -10.692 1.00 0.00 H new ATOM 0 HB THR C 25 0.459 -8.150 -11.674 1.00 0.00 H new ATOM 0 HG1 THR C 25 0.618 -9.660 -13.502 1.00 0.00 H new ATOM 0 HG21 THR C 25 2.207 -9.885 -11.878 1.00 0.00 H new ATOM 0 HG22 THR C 25 1.730 -9.582 -10.190 1.00 0.00 H new ATOM 0 HG23 THR C 25 1.138 -11.032 -11.036 1.00 0.00 H new ATOM 2125 N PHE C 26 -0.538 -7.655 -8.942 1.00 0.00 N ATOM 2126 CA PHE C 26 -0.160 -7.195 -7.614 1.00 0.00 C ATOM 2127 C PHE C 26 -1.173 -7.657 -6.570 1.00 0.00 C ATOM 2128 O PHE C 26 -0.807 -8.165 -5.512 1.00 0.00 O ATOM 2129 CB PHE C 26 -0.047 -5.670 -7.588 1.00 0.00 C ATOM 2130 CG PHE C 26 0.699 -5.145 -6.395 1.00 0.00 C ATOM 2131 CD1 PHE C 26 2.068 -5.324 -6.284 1.00 0.00 C ATOM 2132 CD2 PHE C 26 0.030 -4.476 -5.382 1.00 0.00 C ATOM 2133 CE1 PHE C 26 2.758 -4.844 -5.187 1.00 0.00 C ATOM 2134 CE2 PHE C 26 0.714 -3.993 -4.282 1.00 0.00 C ATOM 2135 CZ PHE C 26 2.079 -4.178 -4.184 1.00 0.00 C ATOM 0 H PHE C 26 -0.767 -6.907 -9.596 1.00 0.00 H new ATOM 0 HA PHE C 26 0.811 -7.627 -7.372 1.00 0.00 H new ATOM 0 HB2 PHE C 26 0.454 -5.335 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE C 26 -1.048 -5.239 -7.599 1.00 0.00 H new ATOM 0 HD1 PHE C 26 2.603 -5.845 -7.064 1.00 0.00 H new ATOM 0 HD2 PHE C 26 -1.038 -4.330 -5.453 1.00 0.00 H new ATOM 0 HE1 PHE C 26 3.826 -4.989 -5.114 1.00 0.00 H new ATOM 0 HE2 PHE C 26 0.182 -3.472 -3.500 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.615 -3.803 -3.325 1.00 0.00 H new ATOM 2145 N GLU C 27 -2.453 -7.464 -6.876 1.00 0.00 N ATOM 2146 CA GLU C 27 -3.529 -7.845 -5.965 1.00 0.00 C ATOM 2147 C GLU C 27 -3.498 -9.337 -5.640 1.00 0.00 C ATOM 2148 O GLU C 27 -3.584 -9.729 -4.476 1.00 0.00 O ATOM 2149 CB GLU C 27 -4.887 -7.476 -6.568 1.00 0.00 C ATOM 2150 CG GLU C 27 -5.067 -5.984 -6.796 1.00 0.00 C ATOM 2151 CD GLU C 27 -6.472 -5.629 -7.244 1.00 0.00 C ATOM 2152 OE1 GLU C 27 -7.428 -5.944 -6.506 1.00 0.00 O ATOM 2153 OE2 GLU C 27 -6.615 -5.035 -8.334 1.00 0.00 O ATOM 0 H GLU C 27 -2.771 -7.045 -7.750 1.00 0.00 H new ATOM 0 HA GLU C 27 -3.379 -7.296 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU C 27 -5.007 -7.997 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU C 27 -5.677 -7.832 -5.907 1.00 0.00 H new ATOM 0 HG2 GLU C 27 -4.837 -5.449 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU C 27 -4.353 -5.646 -7.548 1.00 0.00 H new ATOM 2160 N LYS C 28 -3.406 -10.167 -6.674 1.00 0.00 N ATOM 2161 CA LYS C 28 -3.403 -11.617 -6.493 1.00 0.00 C ATOM 2162 C LYS C 28 -2.149 -12.117 -5.773 1.00 0.00 C ATOM 2163 O LYS C 28 -2.247 -12.881 -4.813 1.00 0.00 O ATOM 2164 CB LYS C 28 -3.532 -12.317 -7.847 1.00 0.00 C ATOM 2165 CG LYS C 28 -3.796 -13.810 -7.736 1.00 0.00 C ATOM 2166 CD LYS C 28 -4.165 -14.414 -9.081 1.00 0.00 C ATOM 2167 CE LYS C 28 -5.642 -14.227 -9.390 1.00 0.00 C ATOM 2168 NZ LYS C 28 -6.495 -15.168 -8.614 1.00 0.00 N ATOM 0 H LYS C 28 -3.333 -9.863 -7.645 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.259 -11.860 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -4.342 -11.854 -8.411 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -2.616 -12.160 -8.417 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -2.910 -14.309 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -4.602 -13.986 -7.024 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -3.567 -13.951 -9.865 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -3.924 -15.477 -9.082 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -5.933 -13.201 -9.163 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -5.812 -14.378 -10.456 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -7.470 -15.128 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -6.127 -16.135 -8.717 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -6.484 -14.899 -7.610 1.00 0.00 H new ATOM 2182 N VAL C 29 -0.975 -11.698 -6.235 1.00 0.00 N ATOM 2183 CA VAL C 29 0.283 -12.125 -5.624 1.00 0.00 C ATOM 2184 C VAL C 29 0.421 -11.638 -4.184 1.00 0.00 C ATOM 2185 O VAL C 29 0.865 -12.379 -3.310 1.00 0.00 O ATOM 2186 CB VAL C 29 1.498 -11.626 -6.430 1.00 0.00 C ATOM 2187 CG1 VAL C 29 2.801 -12.078 -5.780 1.00 0.00 C ATOM 2188 CG2 VAL C 29 1.419 -12.110 -7.870 1.00 0.00 C ATOM 0 H VAL C 29 -0.867 -11.065 -7.028 1.00 0.00 H new ATOM 0 HA VAL C 29 0.261 -13.215 -5.627 1.00 0.00 H new ATOM 0 HB VAL C 29 1.481 -10.536 -6.433 1.00 0.00 H new ATOM 0 HG11 VAL C 29 3.645 -11.714 -6.366 1.00 0.00 H new ATOM 0 HG12 VAL C 29 2.862 -11.676 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL C 29 2.829 -13.167 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL C 29 2.285 -11.748 -8.424 1.00 0.00 H new ATOM 0 HG22 VAL C 29 1.407 -13.200 -7.887 1.00 0.00 H new ATOM 0 HG23 VAL C 29 0.508 -11.730 -8.332 1.00 0.00 H new ATOM 2198 N VAL C 30 0.062 -10.381 -3.952 1.00 0.00 N ATOM 2199 CA VAL C 30 0.172 -9.790 -2.622 1.00 0.00 C ATOM 2200 C VAL C 30 -0.838 -10.383 -1.647 1.00 0.00 C ATOM 2201 O VAL C 30 -0.486 -10.720 -0.516 1.00 0.00 O ATOM 2202 CB VAL C 30 0.018 -8.256 -2.675 1.00 0.00 C ATOM 2203 CG1 VAL C 30 0.138 -7.645 -1.285 1.00 0.00 C ATOM 2204 CG2 VAL C 30 1.057 -7.656 -3.611 1.00 0.00 C ATOM 0 H VAL C 30 -0.307 -9.752 -4.665 1.00 0.00 H new ATOM 0 HA VAL C 30 1.171 -10.029 -2.257 1.00 0.00 H new ATOM 0 HB VAL C 30 -0.976 -8.026 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.026 -6.563 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.641 -8.051 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL C 30 1.116 -7.883 -0.866 1.00 0.00 H new ATOM 0 HG21 VAL C 30 0.938 -6.573 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL C 30 2.056 -7.902 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL C 30 0.922 -8.063 -4.613 1.00 0.00 H new ATOM 2214 N LYS C 31 -2.088 -10.520 -2.074 1.00 0.00 N ATOM 2215 CA LYS C 31 -3.118 -11.085 -1.211 1.00 0.00 C ATOM 2216 C LYS C 31 -2.811 -12.545 -0.898 1.00 0.00 C ATOM 2217 O LYS C 31 -2.911 -12.982 0.247 1.00 0.00 O ATOM 2218 CB LYS C 31 -4.492 -10.973 -1.876 1.00 0.00 C ATOM 2219 CG LYS C 31 -5.637 -11.444 -0.993 1.00 0.00 C ATOM 2220 CD LYS C 31 -6.894 -11.711 -1.805 1.00 0.00 C ATOM 2221 CE LYS C 31 -8.006 -12.281 -0.939 1.00 0.00 C ATOM 2222 NZ LYS C 31 -9.273 -12.454 -1.703 1.00 0.00 N ATOM 0 H LYS C 31 -2.411 -10.251 -3.003 1.00 0.00 H new ATOM 0 HA LYS C 31 -3.130 -10.521 -0.279 1.00 0.00 H new ATOM 0 HB2 LYS C 31 -4.666 -9.935 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS C 31 -4.490 -11.558 -2.796 1.00 0.00 H new ATOM 0 HG2 LYS C 31 -5.342 -12.352 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS C 31 -5.846 -10.690 -0.234 1.00 0.00 H new ATOM 0 HD2 LYS C 31 -7.232 -10.785 -2.270 1.00 0.00 H new ATOM 0 HD3 LYS C 31 -6.666 -12.408 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS C 31 -7.693 -13.243 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS C 31 -8.181 -11.619 -0.091 1.00 0.00 H new ATOM 0 HZ1 LYS C 31 -10.006 -12.845 -1.077 1.00 0.00 H new ATOM 0 HZ2 LYS C 31 -9.586 -11.532 -2.069 1.00 0.00 H new ATOM 0 HZ3 LYS C 31 -9.113 -13.106 -2.497 1.00 0.00 H new ATOM 2236 N GLN C 32 -2.430 -13.294 -1.925 1.00 0.00 N ATOM 2237 CA GLN C 32 -2.101 -14.705 -1.766 1.00 0.00 C ATOM 2238 C GLN C 32 -0.870 -14.899 -0.884 1.00 0.00 C ATOM 2239 O GLN C 32 -0.850 -15.770 -0.016 1.00 0.00 O ATOM 2240 CB GLN C 32 -1.872 -15.354 -3.133 1.00 0.00 C ATOM 2241 CG GLN C 32 -1.859 -16.873 -3.090 1.00 0.00 C ATOM 2242 CD GLN C 32 -3.245 -17.471 -3.235 1.00 0.00 C ATOM 2243 OE1 GLN C 32 -4.008 -17.090 -4.123 1.00 0.00 O ATOM 2244 NE2 GLN C 32 -3.577 -18.414 -2.360 1.00 0.00 N ATOM 0 H GLN C 32 -2.341 -12.947 -2.880 1.00 0.00 H new ATOM 0 HA GLN C 32 -2.946 -15.187 -1.275 1.00 0.00 H new ATOM 0 HB2 GLN C 32 -2.654 -15.025 -3.818 1.00 0.00 H new ATOM 0 HB3 GLN C 32 -0.924 -15.002 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN C 32 -1.219 -17.250 -3.888 1.00 0.00 H new ATOM 0 HG3 GLN C 32 -1.422 -17.203 -2.148 1.00 0.00 H new ATOM 0 HE21 GLN C 32 -2.913 -18.699 -1.640 1.00 0.00 H new ATOM 0 HE22 GLN C 32 -4.496 -18.853 -2.408 1.00 0.00 H new ATOM 2253 N PHE C 33 0.157 -14.082 -1.109 1.00 0.00 N ATOM 2254 CA PHE C 33 1.393 -14.156 -0.338 1.00 0.00 C ATOM 2255 C PHE C 33 1.210 -13.751 1.126 1.00 0.00 C ATOM 2256 O PHE C 33 1.696 -14.436 2.026 1.00 0.00 O ATOM 2257 CB PHE C 33 2.471 -13.317 -1.046 1.00 0.00 C ATOM 2258 CG PHE C 33 3.601 -12.832 -0.178 1.00 0.00 C ATOM 2259 CD1 PHE C 33 4.404 -13.711 0.532 1.00 0.00 C ATOM 2260 CD2 PHE C 33 3.874 -11.477 -0.112 1.00 0.00 C ATOM 2261 CE1 PHE C 33 5.453 -13.239 1.304 1.00 0.00 C ATOM 2262 CE2 PHE C 33 4.918 -11.000 0.656 1.00 0.00 C ATOM 2263 CZ PHE C 33 5.708 -11.880 1.366 1.00 0.00 C ATOM 0 H PHE C 33 0.155 -13.356 -1.825 1.00 0.00 H new ATOM 0 HA PHE C 33 1.715 -15.197 -0.299 1.00 0.00 H new ATOM 0 HB2 PHE C 33 2.891 -13.911 -1.858 1.00 0.00 H new ATOM 0 HB3 PHE C 33 1.990 -12.451 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE C 33 4.210 -14.772 0.483 1.00 0.00 H new ATOM 0 HD2 PHE C 33 3.262 -10.783 -0.669 1.00 0.00 H new ATOM 0 HE1 PHE C 33 6.071 -13.931 1.857 1.00 0.00 H new ATOM 0 HE2 PHE C 33 5.116 -9.939 0.701 1.00 0.00 H new ATOM 0 HZ PHE C 33 6.524 -11.509 1.969 1.00 0.00 H new ATOM 2273 N PHE C 34 0.528 -12.638 1.365 1.00 0.00 N ATOM 2274 CA PHE C 34 0.313 -12.164 2.729 1.00 0.00 C ATOM 2275 C PHE C 34 -0.800 -12.928 3.461 1.00 0.00 C ATOM 2276 O PHE C 34 -0.729 -13.111 4.675 1.00 0.00 O ATOM 2277 CB PHE C 34 0.071 -10.656 2.738 1.00 0.00 C ATOM 2278 CG PHE C 34 1.349 -9.886 2.556 1.00 0.00 C ATOM 2279 CD1 PHE C 34 2.400 -10.058 3.443 1.00 0.00 C ATOM 2280 CD2 PHE C 34 1.516 -9.018 1.488 1.00 0.00 C ATOM 2281 CE1 PHE C 34 3.589 -9.377 3.275 1.00 0.00 C ATOM 2282 CE2 PHE C 34 2.708 -8.335 1.313 1.00 0.00 C ATOM 2283 CZ PHE C 34 3.745 -8.515 2.210 1.00 0.00 C ATOM 0 H PHE C 34 0.117 -12.050 0.640 1.00 0.00 H new ATOM 0 HA PHE C 34 1.225 -12.369 3.289 1.00 0.00 H new ATOM 0 HB2 PHE C 34 -0.627 -10.395 1.943 1.00 0.00 H new ATOM 0 HB3 PHE C 34 -0.396 -10.368 3.680 1.00 0.00 H new ATOM 0 HD1 PHE C 34 2.287 -10.734 4.277 1.00 0.00 H new ATOM 0 HD2 PHE C 34 0.709 -8.873 0.786 1.00 0.00 H new ATOM 0 HE1 PHE C 34 4.397 -9.519 3.978 1.00 0.00 H new ATOM 0 HE2 PHE C 34 2.828 -7.662 0.477 1.00 0.00 H new ATOM 0 HZ PHE C 34 4.675 -7.982 2.077 1.00 0.00 H new ATOM 2293 N ASN C 35 -1.818 -13.390 2.732 1.00 0.00 N ATOM 2294 CA ASN C 35 -2.910 -14.147 3.358 1.00 0.00 C ATOM 2295 C ASN C 35 -2.369 -15.334 4.161 1.00 0.00 C ATOM 2296 O ASN C 35 -2.966 -15.753 5.152 1.00 0.00 O ATOM 2297 CB ASN C 35 -3.927 -14.628 2.313 1.00 0.00 C ATOM 2298 CG ASN C 35 -4.951 -13.567 1.931 1.00 0.00 C ATOM 2299 OD1 ASN C 35 -6.076 -13.893 1.550 1.00 0.00 O ATOM 2300 ND2 ASN C 35 -4.580 -12.295 2.037 1.00 0.00 N ATOM 0 H ASN C 35 -1.912 -13.258 1.725 1.00 0.00 H new ATOM 0 HA ASN C 35 -3.422 -13.472 4.044 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -3.393 -14.946 1.417 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -4.449 -15.503 2.701 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -5.236 -11.551 1.799 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -3.639 -12.063 2.356 1.00 0.00 H new ATOM 2307 N ASP C 36 -1.229 -15.858 3.726 1.00 0.00 N ATOM 2308 CA ASP C 36 -0.574 -16.987 4.389 1.00 0.00 C ATOM 2309 C ASP C 36 -0.174 -16.650 5.831 1.00 0.00 C ATOM 2310 O ASP C 36 0.098 -17.544 6.632 1.00 0.00 O ATOM 2311 CB ASP C 36 0.655 -17.431 3.593 1.00 0.00 C ATOM 2312 CG ASP C 36 0.322 -17.743 2.147 1.00 0.00 C ATOM 2313 OD1 ASP C 36 -0.824 -18.162 1.879 1.00 0.00 O ATOM 2314 OD2 ASP C 36 1.206 -17.567 1.282 1.00 0.00 O ATOM 0 H ASP C 36 -0.731 -15.515 2.905 1.00 0.00 H new ATOM 0 HA ASP C 36 -1.294 -17.805 4.428 1.00 0.00 H new ATOM 0 HB2 ASP C 36 1.411 -16.646 3.628 1.00 0.00 H new ATOM 0 HB3 ASP C 36 1.090 -18.314 4.062 1.00 0.00 H new ATOM 2319 N ASN C 37 -0.132 -15.357 6.150 1.00 0.00 N ATOM 2320 CA ASN C 37 0.244 -14.920 7.495 1.00 0.00 C ATOM 2321 C ASN C 37 -0.967 -14.479 8.320 1.00 0.00 C ATOM 2322 O ASN C 37 -0.898 -14.431 9.548 1.00 0.00 O ATOM 2323 CB ASN C 37 1.288 -13.800 7.432 1.00 0.00 C ATOM 2324 CG ASN C 37 0.704 -12.468 7.007 1.00 0.00 C ATOM 2325 OD1 ASN C 37 -0.176 -11.922 7.672 1.00 0.00 O ATOM 2326 ND2 ASN C 37 1.197 -11.938 5.896 1.00 0.00 N ATOM 0 H ASN C 37 -0.351 -14.600 5.503 1.00 0.00 H new ATOM 0 HA ASN C 37 0.683 -15.781 7.999 1.00 0.00 H new ATOM 0 HB2 ASN C 37 1.754 -13.690 8.411 1.00 0.00 H new ATOM 0 HB3 ASN C 37 2.076 -14.084 6.734 1.00 0.00 H new ATOM 0 HD21 ASN C 37 0.847 -11.041 5.560 1.00 0.00 H new ATOM 0 HD22 ASN C 37 1.926 -12.427 5.377 1.00 0.00 H new ATOM 2333 N GLY C 38 -2.079 -14.174 7.654 1.00 0.00 N ATOM 2334 CA GLY C 38 -3.276 -13.766 8.375 1.00 0.00 C ATOM 2335 C GLY C 38 -3.884 -12.466 7.874 1.00 0.00 C ATOM 2336 O GLY C 38 -4.717 -11.868 8.556 1.00 0.00 O ATOM 0 H GLY C 38 -2.174 -14.201 6.639 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -4.022 -14.557 8.299 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -3.033 -13.658 9.432 1.00 0.00 H new ATOM 2340 N VAL C 39 -3.482 -12.027 6.686 1.00 0.00 N ATOM 2341 CA VAL C 39 -4.011 -10.791 6.114 1.00 0.00 C ATOM 2342 C VAL C 39 -5.266 -11.067 5.292 1.00 0.00 C ATOM 2343 O VAL C 39 -5.363 -12.093 4.619 1.00 0.00 O ATOM 2344 CB VAL C 39 -2.970 -10.086 5.222 1.00 0.00 C ATOM 2345 CG1 VAL C 39 -3.485 -8.729 4.764 1.00 0.00 C ATOM 2346 CG2 VAL C 39 -1.648 -9.939 5.961 1.00 0.00 C ATOM 0 H VAL C 39 -2.795 -12.505 6.102 1.00 0.00 H new ATOM 0 HA VAL C 39 -4.258 -10.136 6.949 1.00 0.00 H new ATOM 0 HB VAL C 39 -2.802 -10.701 4.338 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -2.735 -8.248 4.136 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -4.404 -8.862 4.194 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -3.685 -8.103 5.634 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -0.925 -9.439 5.317 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -1.800 -9.347 6.864 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -1.271 -10.925 6.233 1.00 0.00 H new ATOM 2356 N ASP C 40 -6.229 -10.149 5.350 1.00 0.00 N ATOM 2357 CA ASP C 40 -7.473 -10.308 4.607 1.00 0.00 C ATOM 2358 C ASP C 40 -8.117 -8.955 4.313 1.00 0.00 C ATOM 2359 O ASP C 40 -7.579 -7.907 4.670 1.00 0.00 O ATOM 2360 CB ASP C 40 -8.450 -11.187 5.391 1.00 0.00 C ATOM 2361 CG ASP C 40 -7.936 -12.602 5.571 1.00 0.00 C ATOM 2362 OD1 ASP C 40 -8.203 -13.448 4.692 1.00 0.00 O ATOM 2363 OD2 ASP C 40 -7.267 -12.866 6.592 1.00 0.00 O ATOM 0 H ASP C 40 -6.171 -9.293 5.901 1.00 0.00 H new ATOM 0 HA ASP C 40 -7.236 -10.789 3.658 1.00 0.00 H new ATOM 0 HB2 ASP C 40 -8.631 -10.742 6.369 1.00 0.00 H new ATOM 0 HB3 ASP C 40 -9.408 -11.214 4.871 1.00 0.00 H new ATOM 2368 N GLY C 41 -9.273 -8.991 3.659 1.00 0.00 N ATOM 2369 CA GLY C 41 -9.978 -7.768 3.321 1.00 0.00 C ATOM 2370 C GLY C 41 -10.130 -7.589 1.822 1.00 0.00 C ATOM 2371 O GLY C 41 -10.315 -8.562 1.092 1.00 0.00 O ATOM 0 H GLY C 41 -9.736 -9.848 3.356 1.00 0.00 H new ATOM 0 HA2 GLY C 41 -10.964 -7.779 3.786 1.00 0.00 H new ATOM 0 HA3 GLY C 41 -9.440 -6.915 3.734 1.00 0.00 H new ATOM 2375 N GLU C 42 -10.055 -6.344 1.360 1.00 0.00 N ATOM 2376 CA GLU C 42 -10.189 -6.051 -0.062 1.00 0.00 C ATOM 2377 C GLU C 42 -9.375 -4.820 -0.448 1.00 0.00 C ATOM 2378 O GLU C 42 -9.072 -3.973 0.393 1.00 0.00 O ATOM 2379 CB GLU C 42 -11.659 -5.838 -0.426 1.00 0.00 C ATOM 2380 CG GLU C 42 -12.446 -7.132 -0.551 1.00 0.00 C ATOM 2381 CD GLU C 42 -13.660 -6.992 -1.449 1.00 0.00 C ATOM 2382 OE1 GLU C 42 -13.506 -6.481 -2.578 1.00 0.00 O ATOM 2383 OE2 GLU C 42 -14.763 -7.392 -1.023 1.00 0.00 O ATOM 0 H GLU C 42 -9.903 -5.525 1.948 1.00 0.00 H new ATOM 0 HA GLU C 42 -9.804 -6.906 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU C 42 -12.126 -5.210 0.333 1.00 0.00 H new ATOM 0 HB3 GLU C 42 -11.717 -5.294 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU C 42 -11.795 -7.912 -0.945 1.00 0.00 H new ATOM 0 HG3 GLU C 42 -12.767 -7.455 0.439 1.00 0.00 H new ATOM 2390 N TRP C 43 -9.023 -4.729 -1.728 1.00 0.00 N ATOM 2391 CA TRP C 43 -8.245 -3.603 -2.230 1.00 0.00 C ATOM 2392 C TRP C 43 -9.091 -2.343 -2.308 1.00 0.00 C ATOM 2393 O TRP C 43 -10.092 -2.294 -3.023 1.00 0.00 O ATOM 2394 CB TRP C 43 -7.661 -3.930 -3.605 1.00 0.00 C ATOM 2395 CG TRP C 43 -6.488 -4.859 -3.544 1.00 0.00 C ATOM 2396 CD1 TRP C 43 -6.492 -6.201 -3.792 1.00 0.00 C ATOM 2397 CD2 TRP C 43 -5.139 -4.515 -3.207 1.00 0.00 C ATOM 2398 NE1 TRP C 43 -5.227 -6.714 -3.632 1.00 0.00 N ATOM 2399 CE2 TRP C 43 -4.379 -5.699 -3.273 1.00 0.00 C ATOM 2400 CE3 TRP C 43 -4.498 -3.323 -2.858 1.00 0.00 C ATOM 2401 CZ2 TRP C 43 -3.013 -5.723 -3.002 1.00 0.00 C ATOM 2402 CZ3 TRP C 43 -3.142 -3.349 -2.589 1.00 0.00 C ATOM 2403 CH2 TRP C 43 -2.413 -4.542 -2.663 1.00 0.00 C ATOM 0 H TRP C 43 -9.265 -5.423 -2.436 1.00 0.00 H new ATOM 0 HA TRP C 43 -7.428 -3.422 -1.531 1.00 0.00 H new ATOM 0 HB2 TRP C 43 -8.438 -4.377 -4.225 1.00 0.00 H new ATOM 0 HB3 TRP C 43 -7.357 -3.004 -4.093 1.00 0.00 H new ATOM 0 HD1 TRP C 43 -7.362 -6.776 -4.073 1.00 0.00 H new ATOM 0 HE1 TRP C 43 -4.962 -7.691 -3.760 1.00 0.00 H new ATOM 0 HE3 TRP C 43 -5.052 -2.398 -2.799 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 -2.448 -6.642 -3.058 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 -2.637 -2.434 -2.317 1.00 0.00 H new ATOM 0 HH2 TRP C 43 -1.355 -4.529 -2.448 1.00 0.00 H new ATOM 2414 N THR C 44 -8.677 -1.323 -1.569 1.00 0.00 N ATOM 2415 CA THR C 44 -9.389 -0.056 -1.552 1.00 0.00 C ATOM 2416 C THR C 44 -8.547 1.040 -2.192 1.00 0.00 C ATOM 2417 O THR C 44 -7.337 1.115 -1.984 1.00 0.00 O ATOM 2418 CB THR C 44 -9.760 0.331 -0.120 1.00 0.00 C ATOM 2419 OG1 THR C 44 -8.597 0.493 0.673 1.00 0.00 O ATOM 2420 CG2 THR C 44 -10.644 -0.689 0.564 1.00 0.00 C ATOM 0 H THR C 44 -7.850 -1.350 -0.973 1.00 0.00 H new ATOM 0 HA THR C 44 -10.306 -0.172 -2.130 1.00 0.00 H new ATOM 0 HB THR C 44 -10.312 1.267 -0.207 1.00 0.00 H new ATOM 0 HG1 THR C 44 -7.805 0.496 0.096 1.00 0.00 H new ATOM 0 HG21 THR C 44 -10.870 -0.354 1.576 1.00 0.00 H new ATOM 0 HG22 THR C 44 -11.572 -0.801 0.003 1.00 0.00 H new ATOM 0 HG23 THR C 44 -10.128 -1.648 0.606 1.00 0.00 H new ATOM 2428 N TYR C 45 -9.209 1.892 -2.958 1.00 0.00 N ATOM 2429 CA TYR C 45 -8.539 3.002 -3.626 1.00 0.00 C ATOM 2430 C TYR C 45 -8.136 4.073 -2.619 1.00 0.00 C ATOM 2431 O TYR C 45 -8.830 4.298 -1.628 1.00 0.00 O ATOM 2432 CB TYR C 45 -9.444 3.603 -4.703 1.00 0.00 C ATOM 2433 CG TYR C 45 -9.445 2.821 -5.996 1.00 0.00 C ATOM 2434 CD1 TYR C 45 -8.427 2.983 -6.925 1.00 0.00 C ATOM 2435 CD2 TYR C 45 -10.463 1.920 -6.287 1.00 0.00 C ATOM 2436 CE1 TYR C 45 -8.420 2.272 -8.110 1.00 0.00 C ATOM 2437 CE2 TYR C 45 -10.463 1.203 -7.470 1.00 0.00 C ATOM 2438 CZ TYR C 45 -9.439 1.384 -8.377 1.00 0.00 C ATOM 2439 OH TYR C 45 -9.437 0.673 -9.555 1.00 0.00 O ATOM 0 H TYR C 45 -10.212 1.838 -3.134 1.00 0.00 H new ATOM 0 HA TYR C 45 -7.636 2.618 -4.102 1.00 0.00 H new ATOM 0 HB2 TYR C 45 -10.463 3.658 -4.320 1.00 0.00 H new ATOM 0 HB3 TYR C 45 -9.124 4.625 -4.906 1.00 0.00 H new ATOM 0 HD1 TYR C 45 -7.626 3.677 -6.718 1.00 0.00 H new ATOM 0 HD2 TYR C 45 -11.266 1.778 -5.579 1.00 0.00 H new ATOM 0 HE1 TYR C 45 -7.621 2.412 -8.823 1.00 0.00 H new ATOM 0 HE2 TYR C 45 -11.260 0.506 -7.682 1.00 0.00 H new ATOM 0 HH TYR C 45 -10.225 0.091 -9.587 1.00 0.00 H new ATOM 2449 N ASP C 46 -7.010 4.731 -2.877 1.00 0.00 N ATOM 2450 CA ASP C 46 -6.519 5.778 -1.988 1.00 0.00 C ATOM 2451 C ASP C 46 -7.388 7.028 -2.092 1.00 0.00 C ATOM 2452 O ASP C 46 -8.047 7.255 -3.106 1.00 0.00 O ATOM 2453 CB ASP C 46 -5.071 6.135 -2.331 1.00 0.00 C ATOM 2454 CG ASP C 46 -4.074 5.152 -1.752 1.00 0.00 C ATOM 2455 OD1 ASP C 46 -3.813 4.117 -2.402 1.00 0.00 O ATOM 2456 OD2 ASP C 46 -3.550 5.419 -0.650 1.00 0.00 O ATOM 0 H ASP C 46 -6.422 4.558 -3.692 1.00 0.00 H new ATOM 0 HA ASP C 46 -6.564 5.399 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP C 46 -4.956 6.167 -3.414 1.00 0.00 H new ATOM 0 HB3 ASP C 46 -4.849 7.134 -1.957 1.00 0.00 H new ATOM 2461 N ASP C 47 -7.383 7.836 -1.036 1.00 0.00 N ATOM 2462 CA ASP C 47 -8.170 9.063 -1.013 1.00 0.00 C ATOM 2463 C ASP C 47 -7.632 10.066 -2.030 1.00 0.00 C ATOM 2464 O ASP C 47 -6.422 10.238 -2.165 1.00 0.00 O ATOM 2465 CB ASP C 47 -8.155 9.678 0.388 1.00 0.00 C ATOM 2466 CG ASP C 47 -8.820 8.786 1.419 1.00 0.00 C ATOM 2467 OD1 ASP C 47 -9.833 8.139 1.079 1.00 0.00 O ATOM 2468 OD2 ASP C 47 -8.327 8.735 2.565 1.00 0.00 O ATOM 0 H ASP C 47 -6.844 7.663 -0.187 1.00 0.00 H new ATOM 0 HA ASP C 47 -9.198 8.815 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP C 47 -7.124 9.868 0.687 1.00 0.00 H new ATOM 0 HB3 ASP C 47 -8.663 10.642 0.364 1.00 0.00 H new ATOM 2473 N ALA C 48 -8.541 10.715 -2.752 1.00 0.00 N ATOM 2474 CA ALA C 48 -8.161 11.690 -3.769 1.00 0.00 C ATOM 2475 C ALA C 48 -7.256 12.779 -3.200 1.00 0.00 C ATOM 2476 O ALA C 48 -7.491 13.292 -2.105 1.00 0.00 O ATOM 2477 CB ALA C 48 -9.403 12.310 -4.391 1.00 0.00 C ATOM 0 H ALA C 48 -9.547 10.583 -2.651 1.00 0.00 H new ATOM 0 HA ALA C 48 -7.598 11.162 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -9.107 13.036 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -10.007 11.529 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -9.986 12.810 -3.618 1.00 0.00 H new ATOM 2483 N THR C 49 -6.221 13.126 -3.959 1.00 0.00 N ATOM 2484 CA THR C 49 -5.270 14.154 -3.551 1.00 0.00 C ATOM 2485 C THR C 49 -5.025 15.140 -4.689 1.00 0.00 C ATOM 2486 O THR C 49 -5.226 14.813 -5.859 1.00 0.00 O ATOM 2487 CB THR C 49 -3.949 13.518 -3.117 1.00 0.00 C ATOM 2488 OG1 THR C 49 -4.177 12.462 -2.202 1.00 0.00 O ATOM 2489 CG2 THR C 49 -3.001 14.499 -2.460 1.00 0.00 C ATOM 0 H THR C 49 -6.019 12.707 -4.867 1.00 0.00 H new ATOM 0 HA THR C 49 -5.695 14.695 -2.705 1.00 0.00 H new ATOM 0 HB THR C 49 -3.489 13.152 -4.035 1.00 0.00 H new ATOM 0 HG1 THR C 49 -3.320 12.067 -1.938 1.00 0.00 H new ATOM 0 HG21 THR C 49 -2.083 13.984 -2.176 1.00 0.00 H new ATOM 0 HG22 THR C 49 -2.765 15.301 -3.159 1.00 0.00 H new ATOM 0 HG23 THR C 49 -3.471 14.919 -1.571 1.00 0.00 H new ATOM 2497 N LYS C 50 -4.594 16.349 -4.343 1.00 0.00 N ATOM 2498 CA LYS C 50 -4.330 17.377 -5.344 1.00 0.00 C ATOM 2499 C LYS C 50 -2.852 17.755 -5.366 1.00 0.00 C ATOM 2500 O LYS C 50 -2.175 17.729 -4.338 1.00 0.00 O ATOM 2501 CB LYS C 50 -5.181 18.618 -5.066 1.00 0.00 C ATOM 2502 CG LYS C 50 -5.596 19.366 -6.323 1.00 0.00 C ATOM 2503 CD LYS C 50 -6.836 18.753 -6.953 1.00 0.00 C ATOM 2504 CE LYS C 50 -8.075 19.012 -6.112 1.00 0.00 C ATOM 2505 NZ LYS C 50 -8.892 20.134 -6.655 1.00 0.00 N ATOM 0 H LYS C 50 -4.421 16.640 -3.381 1.00 0.00 H new ATOM 0 HA LYS C 50 -4.595 16.972 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS C 50 -6.075 18.320 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS C 50 -4.622 19.294 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS C 50 -5.789 20.411 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS C 50 -4.777 19.353 -7.042 1.00 0.00 H new ATOM 0 HD2 LYS C 50 -6.980 19.166 -7.951 1.00 0.00 H new ATOM 0 HD3 LYS C 50 -6.693 17.679 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS C 50 -8.682 18.107 -6.072 1.00 0.00 H new ATOM 0 HE3 LYS C 50 -7.778 19.242 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS C 50 -9.728 20.278 -6.053 1.00 0.00 H new ATOM 0 HZ2 LYS C 50 -8.322 21.003 -6.670 1.00 0.00 H new ATOM 0 HZ3 LYS C 50 -9.198 19.904 -7.622 1.00 0.00 H new ATOM 2519 N THR C 51 -2.360 18.105 -6.550 1.00 0.00 N ATOM 2520 CA THR C 51 -0.965 18.489 -6.723 1.00 0.00 C ATOM 2521 C THR C 51 -0.857 19.649 -7.712 1.00 0.00 C ATOM 2522 O THR C 51 -1.348 19.565 -8.837 1.00 0.00 O ATOM 2523 CB THR C 51 -0.146 17.286 -7.205 1.00 0.00 C ATOM 2524 OG1 THR C 51 -0.085 16.293 -6.195 1.00 0.00 O ATOM 2525 CG2 THR C 51 1.279 17.630 -7.586 1.00 0.00 C ATOM 0 H THR C 51 -2.911 18.130 -7.408 1.00 0.00 H new ATOM 0 HA THR C 51 -0.564 18.818 -5.764 1.00 0.00 H new ATOM 0 HB THR C 51 -0.663 16.928 -8.096 1.00 0.00 H new ATOM 0 HG1 THR C 51 0.170 15.435 -6.595 1.00 0.00 H new ATOM 0 HG21 THR C 51 1.795 16.729 -7.917 1.00 0.00 H new ATOM 0 HG22 THR C 51 1.273 18.362 -8.394 1.00 0.00 H new ATOM 0 HG23 THR C 51 1.796 18.048 -6.722 1.00 0.00 H new ATOM 2533 N PHE C 52 -0.212 20.732 -7.282 1.00 0.00 N ATOM 2534 CA PHE C 52 -0.041 21.909 -8.129 1.00 0.00 C ATOM 2535 C PHE C 52 1.122 21.737 -9.098 1.00 0.00 C ATOM 2536 O PHE C 52 2.274 21.610 -8.683 1.00 0.00 O ATOM 2537 CB PHE C 52 0.182 23.157 -7.271 1.00 0.00 C ATOM 2538 CG PHE C 52 0.162 24.436 -8.060 1.00 0.00 C ATOM 2539 CD1 PHE C 52 -1.035 25.072 -8.344 1.00 0.00 C ATOM 2540 CD2 PHE C 52 1.342 25.001 -8.517 1.00 0.00 C ATOM 2541 CE1 PHE C 52 -1.056 26.248 -9.071 1.00 0.00 C ATOM 2542 CE2 PHE C 52 1.329 26.177 -9.243 1.00 0.00 C ATOM 2543 CZ PHE C 52 0.127 26.802 -9.521 1.00 0.00 C ATOM 0 H PHE C 52 0.200 20.818 -6.353 1.00 0.00 H new ATOM 0 HA PHE C 52 -0.955 22.029 -8.711 1.00 0.00 H new ATOM 0 HB2 PHE C 52 -0.588 23.202 -6.501 1.00 0.00 H new ATOM 0 HB3 PHE C 52 1.140 23.070 -6.759 1.00 0.00 H new ATOM 0 HD1 PHE C 52 -1.963 24.644 -7.994 1.00 0.00 H new ATOM 0 HD2 PHE C 52 2.283 24.516 -8.303 1.00 0.00 H new ATOM 0 HE1 PHE C 52 -1.996 26.733 -9.287 1.00 0.00 H new ATOM 0 HE2 PHE C 52 2.256 26.607 -9.593 1.00 0.00 H new ATOM 0 HZ PHE C 52 0.113 27.721 -10.088 1.00 0.00 H new ATOM 2553 N THR C 53 0.822 21.750 -10.392 1.00 0.00 N ATOM 2554 CA THR C 53 1.853 21.612 -11.412 1.00 0.00 C ATOM 2555 C THR C 53 2.348 22.987 -11.851 1.00 0.00 C ATOM 2556 O THR C 53 1.560 23.829 -12.282 1.00 0.00 O ATOM 2557 CB THR C 53 1.317 20.835 -12.616 1.00 0.00 C ATOM 2558 OG1 THR C 53 0.874 19.547 -12.224 1.00 0.00 O ATOM 2559 CG2 THR C 53 2.343 20.651 -13.715 1.00 0.00 C ATOM 0 H THR C 53 -0.124 21.854 -10.758 1.00 0.00 H new ATOM 0 HA THR C 53 2.688 21.056 -10.986 1.00 0.00 H new ATOM 0 HB THR C 53 0.495 21.436 -13.005 1.00 0.00 H new ATOM 0 HG1 THR C 53 0.176 19.635 -11.542 1.00 0.00 H new ATOM 0 HG21 THR C 53 1.898 20.092 -14.538 1.00 0.00 H new ATOM 0 HG22 THR C 53 2.671 21.627 -14.074 1.00 0.00 H new ATOM 0 HG23 THR C 53 3.200 20.101 -13.325 1.00 0.00 H new ATOM 2567 N VAL C 54 3.653 23.214 -11.733 1.00 0.00 N ATOM 2568 CA VAL C 54 4.237 24.494 -12.115 1.00 0.00 C ATOM 2569 C VAL C 54 4.223 24.675 -13.627 1.00 0.00 C ATOM 2570 O VAL C 54 4.183 23.701 -14.379 1.00 0.00 O ATOM 2571 CB VAL C 54 5.688 24.636 -11.613 1.00 0.00 C ATOM 2572 CG1 VAL C 54 6.143 26.083 -11.707 1.00 0.00 C ATOM 2573 CG2 VAL C 54 5.820 24.120 -10.188 1.00 0.00 C ATOM 0 H VAL C 54 4.323 22.532 -11.378 1.00 0.00 H new ATOM 0 HA VAL C 54 3.624 25.264 -11.647 1.00 0.00 H new ATOM 0 HB VAL C 54 6.332 24.031 -12.251 1.00 0.00 H new ATOM 0 HG11 VAL C 54 7.169 26.166 -11.349 1.00 0.00 H new ATOM 0 HG12 VAL C 54 6.093 26.413 -12.745 1.00 0.00 H new ATOM 0 HG13 VAL C 54 5.494 26.709 -11.095 1.00 0.00 H new ATOM 0 HG21 VAL C 54 6.852 24.230 -9.855 1.00 0.00 H new ATOM 0 HG22 VAL C 54 5.164 24.692 -9.532 1.00 0.00 H new ATOM 0 HG23 VAL C 54 5.539 23.067 -10.155 1.00 0.00 H new ATOM 2583 N THR C 55 4.257 25.928 -14.066 1.00 0.00 N ATOM 2584 CA THR C 55 4.248 26.238 -15.490 1.00 0.00 C ATOM 2585 C THR C 55 5.037 27.511 -15.775 1.00 0.00 C ATOM 2586 O THR C 55 6.115 27.467 -16.368 1.00 0.00 O ATOM 2587 CB THR C 55 2.811 26.388 -15.991 1.00 0.00 C ATOM 2588 OG1 THR C 55 2.061 25.217 -15.719 1.00 0.00 O ATOM 2589 CG2 THR C 55 2.720 26.656 -17.478 1.00 0.00 C ATOM 0 H THR C 55 4.291 26.745 -13.456 1.00 0.00 H new ATOM 0 HA THR C 55 4.724 25.413 -16.020 1.00 0.00 H new ATOM 0 HB THR C 55 2.408 27.249 -15.458 1.00 0.00 H new ATOM 0 HG1 THR C 55 1.198 25.266 -16.182 1.00 0.00 H new ATOM 0 HG21 THR C 55 1.673 26.752 -17.767 1.00 0.00 H new ATOM 0 HG22 THR C 55 3.248 27.580 -17.714 1.00 0.00 H new ATOM 0 HG23 THR C 55 3.173 25.829 -18.025 1.00 0.00 H new ATOM 2597 N GLU C 56 4.491 28.641 -15.349 1.00 0.00 N ATOM 2598 CA GLU C 56 5.140 29.931 -15.557 1.00 0.00 C ATOM 2599 C GLU C 56 5.849 30.394 -14.288 1.00 0.00 C ATOM 2600 O GLU C 56 5.947 29.590 -13.338 1.00 0.00 O ATOM 2601 CB GLU C 56 4.113 30.977 -15.992 1.00 0.00 C ATOM 2602 CG GLU C 56 3.818 30.955 -17.483 1.00 0.00 C ATOM 2603 CD GLU C 56 3.061 32.184 -17.946 1.00 0.00 C ATOM 2604 OE1 GLU C 56 2.274 32.733 -17.146 1.00 0.00 O ATOM 2605 OE2 GLU C 56 3.255 32.598 -19.108 1.00 0.00 O ATOM 2606 OXT GLU C 56 6.301 31.558 -14.256 1.00 0.00 O ATOM 0 H GLU C 56 3.599 28.692 -14.857 1.00 0.00 H new ATOM 0 HA GLU C 56 5.884 29.813 -16.345 1.00 0.00 H new ATOM 0 HB2 GLU C 56 3.185 30.813 -15.444 1.00 0.00 H new ATOM 0 HB3 GLU C 56 4.476 31.967 -15.716 1.00 0.00 H new ATOM 0 HG2 GLU C 56 4.756 30.881 -18.034 1.00 0.00 H new ATOM 0 HG3 GLU C 56 3.237 30.064 -17.722 1.00 0.00 H new ATOM 2614 N MET D 1 0.420 2.431 -12.064 1.00 0.00 N ATOM 2615 CA MET D 1 -0.431 2.207 -10.868 1.00 0.00 C ATOM 2616 C MET D 1 0.409 2.166 -9.596 1.00 0.00 C ATOM 2617 O MET D 1 1.232 1.270 -9.413 1.00 0.00 O ATOM 2618 CB MET D 1 -1.191 0.890 -11.049 1.00 0.00 C ATOM 2619 CG MET D 1 -2.640 0.956 -10.597 1.00 0.00 C ATOM 2620 SD MET D 1 -2.823 0.733 -8.817 1.00 0.00 S ATOM 2621 CE MET D 1 -3.146 2.416 -8.298 1.00 0.00 C ATOM 0 H1 MET D 1 -0.177 2.455 -12.915 1.00 0.00 H new ATOM 0 H2 MET D 1 0.922 3.337 -11.968 1.00 0.00 H new ATOM 0 H3 MET D 1 1.112 1.659 -12.147 1.00 0.00 H new ATOM 0 HA MET D 1 -1.135 3.033 -10.768 1.00 0.00 H new ATOM 0 HB2 MET D 1 -1.160 0.604 -12.100 1.00 0.00 H new ATOM 0 HB3 MET D 1 -0.680 0.106 -10.490 1.00 0.00 H new ATOM 0 HG2 MET D 1 -3.063 1.919 -10.884 1.00 0.00 H new ATOM 0 HG3 MET D 1 -3.214 0.189 -11.116 1.00 0.00 H new ATOM 0 HE1 MET D 1 -3.834 2.410 -7.453 1.00 0.00 H new ATOM 0 HE2 MET D 1 -2.211 2.891 -8.002 1.00 0.00 H new ATOM 0 HE3 MET D 1 -3.590 2.972 -9.123 1.00 0.00 H new ATOM 2633 N GLN D 2 0.189 3.138 -8.716 1.00 0.00 N ATOM 2634 CA GLN D 2 0.924 3.211 -7.457 1.00 0.00 C ATOM 2635 C GLN D 2 0.224 2.385 -6.385 1.00 0.00 C ATOM 2636 O GLN D 2 -0.961 2.579 -6.115 1.00 0.00 O ATOM 2637 CB GLN D 2 1.053 4.665 -6.999 1.00 0.00 C ATOM 2638 CG GLN D 2 2.021 4.855 -5.843 1.00 0.00 C ATOM 2639 CD GLN D 2 2.028 6.276 -5.315 1.00 0.00 C ATOM 2640 OE1 GLN D 2 1.673 6.526 -4.164 1.00 0.00 O ATOM 2641 NE2 GLN D 2 2.433 7.219 -6.159 1.00 0.00 N ATOM 0 H GLN D 2 -0.492 3.886 -8.851 1.00 0.00 H new ATOM 0 HA GLN D 2 1.922 2.804 -7.617 1.00 0.00 H new ATOM 0 HB2 GLN D 2 1.381 5.275 -7.841 1.00 0.00 H new ATOM 0 HB3 GLN D 2 0.070 5.033 -6.703 1.00 0.00 H new ATOM 0 HG2 GLN D 2 1.755 4.173 -5.036 1.00 0.00 H new ATOM 0 HG3 GLN D 2 3.026 4.587 -6.168 1.00 0.00 H new ATOM 0 HE21 GLN D 2 2.719 6.968 -7.105 1.00 0.00 H new ATOM 0 HE22 GLN D 2 2.458 8.194 -5.861 1.00 0.00 H new ATOM 2650 N TYR D 3 0.959 1.451 -5.790 1.00 0.00 N ATOM 2651 CA TYR D 3 0.397 0.584 -4.763 1.00 0.00 C ATOM 2652 C TYR D 3 0.942 0.914 -3.377 1.00 0.00 C ATOM 2653 O TYR D 3 2.154 0.941 -3.157 1.00 0.00 O ATOM 2654 CB TYR D 3 0.673 -0.881 -5.100 1.00 0.00 C ATOM 2655 CG TYR D 3 -0.281 -1.450 -6.127 1.00 0.00 C ATOM 2656 CD1 TYR D 3 -1.567 -1.832 -5.769 1.00 0.00 C ATOM 2657 CD2 TYR D 3 0.105 -1.601 -7.452 1.00 0.00 C ATOM 2658 CE1 TYR D 3 -2.443 -2.350 -6.704 1.00 0.00 C ATOM 2659 CE2 TYR D 3 -0.766 -2.117 -8.394 1.00 0.00 C ATOM 2660 CZ TYR D 3 -2.038 -2.490 -8.015 1.00 0.00 C ATOM 2661 OH TYR D 3 -2.908 -3.003 -8.948 1.00 0.00 O ATOM 0 H TYR D 3 1.942 1.276 -6.001 1.00 0.00 H new ATOM 0 HA TYR D 3 -0.679 0.755 -4.743 1.00 0.00 H new ATOM 0 HB2 TYR D 3 1.694 -0.975 -5.471 1.00 0.00 H new ATOM 0 HB3 TYR D 3 0.610 -1.474 -4.188 1.00 0.00 H new ATOM 0 HD1 TYR D 3 -1.888 -1.723 -4.744 1.00 0.00 H new ATOM 0 HD2 TYR D 3 1.101 -1.311 -7.752 1.00 0.00 H new ATOM 0 HE1 TYR D 3 -3.440 -2.644 -6.410 1.00 0.00 H new ATOM 0 HE2 TYR D 3 -0.451 -2.227 -9.421 1.00 0.00 H new ATOM 0 HH TYR D 3 -3.040 -3.960 -8.781 1.00 0.00 H new ATOM 2671 N LYS D 4 0.023 1.155 -2.450 1.00 0.00 N ATOM 2672 CA LYS D 4 0.379 1.476 -1.073 1.00 0.00 C ATOM 2673 C LYS D 4 0.083 0.294 -0.155 1.00 0.00 C ATOM 2674 O LYS D 4 -1.055 -0.168 -0.069 1.00 0.00 O ATOM 2675 CB LYS D 4 -0.380 2.718 -0.598 1.00 0.00 C ATOM 2676 CG LYS D 4 0.467 3.981 -0.588 1.00 0.00 C ATOM 2677 CD LYS D 4 -0.391 5.231 -0.480 1.00 0.00 C ATOM 2678 CE LYS D 4 -0.768 5.525 0.963 1.00 0.00 C ATOM 2679 NZ LYS D 4 -1.674 6.702 1.071 1.00 0.00 N ATOM 0 H LYS D 4 -0.981 1.134 -2.629 1.00 0.00 H new ATOM 0 HA LYS D 4 1.448 1.686 -1.036 1.00 0.00 H new ATOM 0 HB2 LYS D 4 -1.244 2.875 -1.244 1.00 0.00 H new ATOM 0 HB3 LYS D 4 -0.762 2.538 0.407 1.00 0.00 H new ATOM 0 HG2 LYS D 4 1.165 3.945 0.249 1.00 0.00 H new ATOM 0 HG3 LYS D 4 1.064 4.027 -1.499 1.00 0.00 H new ATOM 0 HD2 LYS D 4 0.149 6.081 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS D 4 -1.296 5.105 -1.075 1.00 0.00 H new ATOM 0 HE2 LYS D 4 -1.255 4.651 1.396 1.00 0.00 H new ATOM 0 HE3 LYS D 4 0.136 5.708 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 -1.948 6.839 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 -1.182 7.551 0.728 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 -2.525 6.539 0.496 1.00 0.00 H new ATOM 2693 N VAL D 5 1.117 -0.200 0.520 1.00 0.00 N ATOM 2694 CA VAL D 5 0.964 -1.338 1.420 1.00 0.00 C ATOM 2695 C VAL D 5 1.807 -1.177 2.680 1.00 0.00 C ATOM 2696 O VAL D 5 3.005 -0.900 2.611 1.00 0.00 O ATOM 2697 CB VAL D 5 1.355 -2.657 0.725 1.00 0.00 C ATOM 2698 CG1 VAL D 5 0.996 -3.849 1.598 1.00 0.00 C ATOM 2699 CG2 VAL D 5 0.685 -2.764 -0.636 1.00 0.00 C ATOM 0 H VAL D 5 2.066 0.168 0.461 1.00 0.00 H new ATOM 0 HA VAL D 5 -0.089 -1.373 1.699 1.00 0.00 H new ATOM 0 HB VAL D 5 2.434 -2.659 0.574 1.00 0.00 H new ATOM 0 HG11 VAL D 5 1.280 -4.771 1.090 1.00 0.00 H new ATOM 0 HG12 VAL D 5 1.528 -3.779 2.547 1.00 0.00 H new ATOM 0 HG13 VAL D 5 -0.078 -3.853 1.784 1.00 0.00 H new ATOM 0 HG21 VAL D 5 0.973 -3.702 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL D 5 -0.398 -2.738 -0.512 1.00 0.00 H new ATOM 0 HG23 VAL D 5 0.998 -1.929 -1.262 1.00 0.00 H new ATOM 2709 N ILE D 6 1.168 -1.358 3.832 1.00 0.00 N ATOM 2710 CA ILE D 6 1.849 -1.241 5.114 1.00 0.00 C ATOM 2711 C ILE D 6 2.365 -2.598 5.584 1.00 0.00 C ATOM 2712 O ILE D 6 1.582 -3.516 5.827 1.00 0.00 O ATOM 2713 CB ILE D 6 0.915 -0.658 6.192 1.00 0.00 C ATOM 2714 CG1 ILE D 6 0.222 0.604 5.671 1.00 0.00 C ATOM 2715 CG2 ILE D 6 1.691 -0.355 7.464 1.00 0.00 C ATOM 2716 CD1 ILE D 6 -0.786 1.185 6.640 1.00 0.00 C ATOM 0 H ILE D 6 0.176 -1.587 3.902 1.00 0.00 H new ATOM 0 HA ILE D 6 2.691 -0.564 4.968 1.00 0.00 H new ATOM 0 HB ILE D 6 0.151 -1.400 6.426 1.00 0.00 H new ATOM 0 HG12 ILE D 6 0.977 1.358 5.449 1.00 0.00 H new ATOM 0 HG13 ILE D 6 -0.281 0.371 4.732 1.00 0.00 H new ATOM 0 HG21 ILE D 6 1.015 0.056 8.214 1.00 0.00 H new ATOM 0 HG22 ILE D 6 2.139 -1.273 7.844 1.00 0.00 H new ATOM 0 HG23 ILE D 6 2.476 0.370 7.247 1.00 0.00 H new ATOM 0 HD11 ILE D 6 -1.237 2.077 6.205 1.00 0.00 H new ATOM 0 HD12 ILE D 6 -1.563 0.448 6.843 1.00 0.00 H new ATOM 0 HD13 ILE D 6 -0.285 1.450 7.571 1.00 0.00 H new ATOM 2728 N LEU D 7 3.684 -2.720 5.714 1.00 0.00 N ATOM 2729 CA LEU D 7 4.292 -3.970 6.159 1.00 0.00 C ATOM 2730 C LEU D 7 5.359 -3.713 7.219 1.00 0.00 C ATOM 2731 O LEU D 7 6.412 -3.145 6.929 1.00 0.00 O ATOM 2732 CB LEU D 7 4.909 -4.712 4.968 1.00 0.00 C ATOM 2733 CG LEU D 7 4.846 -6.239 5.050 1.00 0.00 C ATOM 2734 CD1 LEU D 7 3.422 -6.726 4.828 1.00 0.00 C ATOM 2735 CD2 LEU D 7 5.789 -6.870 4.033 1.00 0.00 C ATOM 0 H LEU D 7 4.349 -1.972 5.518 1.00 0.00 H new ATOM 0 HA LEU D 7 3.510 -4.587 6.601 1.00 0.00 H new ATOM 0 HB2 LEU D 7 4.402 -4.391 4.058 1.00 0.00 H new ATOM 0 HB3 LEU D 7 5.953 -4.412 4.874 1.00 0.00 H new ATOM 0 HG LEU D 7 5.164 -6.542 6.048 1.00 0.00 H new ATOM 0 HD11 LEU D 7 3.396 -7.814 4.890 1.00 0.00 H new ATOM 0 HD12 LEU D 7 2.770 -6.303 5.592 1.00 0.00 H new ATOM 0 HD13 LEU D 7 3.079 -6.410 3.843 1.00 0.00 H new ATOM 0 HD21 LEU D 7 5.730 -7.956 4.107 1.00 0.00 H new ATOM 0 HD22 LEU D 7 5.502 -6.558 3.029 1.00 0.00 H new ATOM 0 HD23 LEU D 7 6.810 -6.548 4.235 1.00 0.00 H new ATOM 2950 N ASP D 22 7.263 -8.523 7.628 1.00 0.00 N ATOM 2951 CA ASP D 22 8.475 -7.753 7.879 1.00 0.00 C ATOM 2952 C ASP D 22 8.858 -6.898 6.681 1.00 0.00 C ATOM 2953 O ASP D 22 8.719 -7.309 5.530 1.00 0.00 O ATOM 2954 CB ASP D 22 9.630 -8.691 8.234 1.00 0.00 C ATOM 2955 CG ASP D 22 10.757 -7.974 8.951 1.00 0.00 C ATOM 2956 OD1 ASP D 22 11.562 -7.305 8.271 1.00 0.00 O ATOM 2957 OD2 ASP D 22 10.835 -8.083 10.194 1.00 0.00 O ATOM 0 HA ASP D 22 8.273 -7.086 8.717 1.00 0.00 H new ATOM 0 HB2 ASP D 22 9.258 -9.499 8.864 1.00 0.00 H new ATOM 0 HB3 ASP D 22 10.016 -9.149 7.323 1.00 0.00 H new ATOM 2962 N ALA D 23 9.347 -5.702 6.971 1.00 0.00 N ATOM 2963 CA ALA D 23 9.765 -4.766 5.941 1.00 0.00 C ATOM 2964 C ALA D 23 10.766 -5.411 4.982 1.00 0.00 C ATOM 2965 O ALA D 23 10.683 -5.227 3.768 1.00 0.00 O ATOM 2966 CB ALA D 23 10.361 -3.533 6.597 1.00 0.00 C ATOM 0 H ALA D 23 9.465 -5.355 7.923 1.00 0.00 H new ATOM 0 HA ALA D 23 8.895 -4.475 5.353 1.00 0.00 H new ATOM 0 HB1 ALA D 23 10.676 -2.828 5.828 1.00 0.00 H new ATOM 0 HB2 ALA D 23 9.613 -3.063 7.236 1.00 0.00 H new ATOM 0 HB3 ALA D 23 11.222 -3.822 7.199 1.00 0.00 H new ATOM 2972 N ALA D 24 11.704 -6.173 5.538 1.00 0.00 N ATOM 2973 CA ALA D 24 12.715 -6.855 4.736 1.00 0.00 C ATOM 2974 C ALA D 24 12.080 -7.929 3.857 1.00 0.00 C ATOM 2975 O ALA D 24 12.548 -8.199 2.751 1.00 0.00 O ATOM 2976 CB ALA D 24 13.780 -7.465 5.635 1.00 0.00 C ATOM 0 H ALA D 24 11.785 -6.334 6.542 1.00 0.00 H new ATOM 0 HA ALA D 24 13.187 -6.119 4.085 1.00 0.00 H new ATOM 0 HB1 ALA D 24 14.527 -7.970 5.023 1.00 0.00 H new ATOM 0 HB2 ALA D 24 14.260 -6.678 6.217 1.00 0.00 H new ATOM 0 HB3 ALA D 24 13.317 -8.185 6.310 1.00 0.00 H new ATOM 2982 N THR D 25 11.008 -8.534 4.360 1.00 0.00 N ATOM 2983 CA THR D 25 10.298 -9.575 3.625 1.00 0.00 C ATOM 2984 C THR D 25 9.718 -9.006 2.335 1.00 0.00 C ATOM 2985 O THR D 25 9.693 -9.673 1.301 1.00 0.00 O ATOM 2986 CB THR D 25 9.185 -10.165 4.499 1.00 0.00 C ATOM 2987 OG1 THR D 25 9.734 -10.880 5.590 1.00 0.00 O ATOM 2988 CG2 THR D 25 8.256 -11.105 3.760 1.00 0.00 C ATOM 0 H THR D 25 10.612 -8.321 5.275 1.00 0.00 H new ATOM 0 HA THR D 25 10.999 -10.369 3.367 1.00 0.00 H new ATOM 0 HB THR D 25 8.604 -9.305 4.832 1.00 0.00 H new ATOM 0 HG1 THR D 25 9.009 -11.248 6.138 1.00 0.00 H new ATOM 0 HG21 THR D 25 7.497 -11.480 4.446 1.00 0.00 H new ATOM 0 HG22 THR D 25 7.773 -10.571 2.942 1.00 0.00 H new ATOM 0 HG23 THR D 25 8.828 -11.942 3.359 1.00 0.00 H new ATOM 2996 N PHE D 26 9.268 -7.759 2.408 1.00 0.00 N ATOM 2997 CA PHE D 26 8.702 -7.079 1.250 1.00 0.00 C ATOM 2998 C PHE D 26 9.760 -6.881 0.167 1.00 0.00 C ATOM 2999 O PHE D 26 9.519 -7.151 -1.008 1.00 0.00 O ATOM 3000 CB PHE D 26 8.119 -5.725 1.659 1.00 0.00 C ATOM 3001 CG PHE D 26 7.192 -5.140 0.633 1.00 0.00 C ATOM 3002 CD1 PHE D 26 5.943 -5.697 0.412 1.00 0.00 C ATOM 3003 CD2 PHE D 26 7.570 -4.034 -0.111 1.00 0.00 C ATOM 3004 CE1 PHE D 26 5.087 -5.162 -0.533 1.00 0.00 C ATOM 3005 CE2 PHE D 26 6.719 -3.494 -1.057 1.00 0.00 C ATOM 3006 CZ PHE D 26 5.476 -4.059 -1.268 1.00 0.00 C ATOM 0 H PHE D 26 9.284 -7.197 3.259 1.00 0.00 H new ATOM 0 HA PHE D 26 7.904 -7.704 0.848 1.00 0.00 H new ATOM 0 HB2 PHE D 26 7.582 -5.839 2.600 1.00 0.00 H new ATOM 0 HB3 PHE D 26 8.936 -5.026 1.840 1.00 0.00 H new ATOM 0 HD1 PHE D 26 5.634 -6.559 0.984 1.00 0.00 H new ATOM 0 HD2 PHE D 26 8.541 -3.589 0.050 1.00 0.00 H new ATOM 0 HE1 PHE D 26 4.116 -5.606 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE D 26 7.025 -2.632 -1.630 1.00 0.00 H new ATOM 0 HZ PHE D 26 4.809 -3.639 -2.007 1.00 0.00 H new ATOM 3016 N GLU D 27 10.929 -6.396 0.576 1.00 0.00 N ATOM 3017 CA GLU D 27 12.025 -6.143 -0.355 1.00 0.00 C ATOM 3018 C GLU D 27 12.445 -7.412 -1.096 1.00 0.00 C ATOM 3019 O GLU D 27 12.595 -7.405 -2.317 1.00 0.00 O ATOM 3020 CB GLU D 27 13.228 -5.559 0.392 1.00 0.00 C ATOM 3021 CG GLU D 27 12.943 -4.218 1.049 1.00 0.00 C ATOM 3022 CD GLU D 27 14.186 -3.587 1.646 1.00 0.00 C ATOM 3023 OE1 GLU D 27 15.158 -3.362 0.893 1.00 0.00 O ATOM 3024 OE2 GLU D 27 14.189 -3.319 2.865 1.00 0.00 O ATOM 0 H GLU D 27 11.142 -6.170 1.548 1.00 0.00 H new ATOM 0 HA GLU D 27 11.668 -5.425 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU D 27 13.550 -6.267 1.155 1.00 0.00 H new ATOM 0 HB3 GLU D 27 14.057 -5.444 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU D 27 12.514 -3.540 0.311 1.00 0.00 H new ATOM 0 HG3 GLU D 27 12.196 -4.352 1.831 1.00 0.00 H new ATOM 3031 N LYS D 28 12.666 -8.489 -0.350 1.00 0.00 N ATOM 3032 CA LYS D 28 13.106 -9.751 -0.939 1.00 0.00 C ATOM 3033 C LYS D 28 12.039 -10.388 -1.831 1.00 0.00 C ATOM 3034 O LYS D 28 12.324 -10.773 -2.965 1.00 0.00 O ATOM 3035 CB LYS D 28 13.511 -10.734 0.161 1.00 0.00 C ATOM 3036 CG LYS D 28 14.222 -11.971 -0.362 1.00 0.00 C ATOM 3037 CD LYS D 28 14.824 -12.791 0.769 1.00 0.00 C ATOM 3038 CE LYS D 28 16.182 -12.250 1.187 1.00 0.00 C ATOM 3039 NZ LYS D 28 17.248 -12.609 0.211 1.00 0.00 N ATOM 0 H LYS D 28 12.548 -8.515 0.663 1.00 0.00 H new ATOM 0 HA LYS D 28 13.965 -9.523 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS D 28 14.162 -10.224 0.871 1.00 0.00 H new ATOM 0 HB3 LYS D 28 12.620 -11.041 0.709 1.00 0.00 H new ATOM 0 HG2 LYS D 28 13.518 -12.586 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS D 28 15.009 -11.673 -1.055 1.00 0.00 H new ATOM 0 HD2 LYS D 28 14.149 -12.783 1.625 1.00 0.00 H new ATOM 0 HD3 LYS D 28 14.926 -13.829 0.453 1.00 0.00 H new ATOM 0 HE2 LYS D 28 16.127 -11.166 1.282 1.00 0.00 H new ATOM 0 HE3 LYS D 28 16.442 -12.643 2.170 1.00 0.00 H new ATOM 0 HZ1 LYS D 28 18.177 -12.357 0.604 1.00 0.00 H new ATOM 0 HZ2 LYS D 28 17.217 -13.632 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS D 28 17.095 -12.090 -0.677 1.00 0.00 H new ATOM 3053 N VAL D 29 10.815 -10.509 -1.323 1.00 0.00 N ATOM 3054 CA VAL D 29 9.726 -11.111 -2.090 1.00 0.00 C ATOM 3055 C VAL D 29 9.376 -10.299 -3.335 1.00 0.00 C ATOM 3056 O VAL D 29 9.145 -10.859 -4.404 1.00 0.00 O ATOM 3057 CB VAL D 29 8.455 -11.270 -1.232 1.00 0.00 C ATOM 3058 CG1 VAL D 29 7.330 -11.899 -2.046 1.00 0.00 C ATOM 3059 CG2 VAL D 29 8.749 -12.097 0.010 1.00 0.00 C ATOM 0 H VAL D 29 10.552 -10.200 -0.387 1.00 0.00 H new ATOM 0 HA VAL D 29 10.086 -12.092 -2.400 1.00 0.00 H new ATOM 0 HB VAL D 29 8.130 -10.279 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL D 29 6.443 -12.002 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL D 29 7.100 -11.263 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL D 29 7.642 -12.882 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL D 29 7.840 -12.198 0.603 1.00 0.00 H new ATOM 0 HG22 VAL D 29 9.101 -13.085 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL D 29 9.516 -11.601 0.604 1.00 0.00 H new ATOM 3069 N VAL D 30 9.314 -8.983 -3.180 1.00 0.00 N ATOM 3070 CA VAL D 30 8.963 -8.100 -4.287 1.00 0.00 C ATOM 3071 C VAL D 30 10.061 -8.043 -5.343 1.00 0.00 C ATOM 3072 O VAL D 30 9.780 -8.136 -6.538 1.00 0.00 O ATOM 3073 CB VAL D 30 8.634 -6.677 -3.789 1.00 0.00 C ATOM 3074 CG1 VAL D 30 8.265 -5.763 -4.949 1.00 0.00 C ATOM 3075 CG2 VAL D 30 7.504 -6.726 -2.770 1.00 0.00 C ATOM 0 H VAL D 30 9.502 -8.503 -2.300 1.00 0.00 H new ATOM 0 HA VAL D 30 8.072 -8.522 -4.751 1.00 0.00 H new ATOM 0 HB VAL D 30 9.524 -6.269 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL D 30 8.038 -4.767 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL D 30 9.101 -5.704 -5.646 1.00 0.00 H new ATOM 0 HG13 VAL D 30 7.391 -6.163 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL D 30 7.281 -5.716 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL D 30 6.616 -7.157 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL D 30 7.806 -7.340 -1.922 1.00 0.00 H new ATOM 3085 N LYS D 31 11.310 -7.898 -4.915 1.00 0.00 N ATOM 3086 CA LYS D 31 12.423 -7.841 -5.855 1.00 0.00 C ATOM 3087 C LYS D 31 12.572 -9.170 -6.587 1.00 0.00 C ATOM 3088 O LYS D 31 12.750 -9.205 -7.803 1.00 0.00 O ATOM 3089 CB LYS D 31 13.724 -7.504 -5.121 1.00 0.00 C ATOM 3090 CG LYS D 31 14.915 -7.320 -6.047 1.00 0.00 C ATOM 3091 CD LYS D 31 16.230 -7.405 -5.287 1.00 0.00 C ATOM 3092 CE LYS D 31 17.423 -7.321 -6.227 1.00 0.00 C ATOM 3093 NZ LYS D 31 18.714 -7.297 -5.484 1.00 0.00 N ATOM 0 H LYS D 31 11.576 -7.818 -3.933 1.00 0.00 H new ATOM 0 HA LYS D 31 12.215 -7.058 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS D 31 13.579 -6.591 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS D 31 13.947 -8.300 -4.410 1.00 0.00 H new ATOM 0 HG2 LYS D 31 14.893 -8.083 -6.825 1.00 0.00 H new ATOM 0 HG3 LYS D 31 14.844 -6.353 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS D 31 16.283 -6.597 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS D 31 16.270 -8.341 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS D 31 17.411 -8.173 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS D 31 17.340 -6.424 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS D 31 19.502 -7.239 -6.160 1.00 0.00 H new ATOM 0 HZ2 LYS D 31 18.737 -6.470 -4.854 1.00 0.00 H new ATOM 0 HZ3 LYS D 31 18.805 -8.165 -4.919 1.00 0.00 H new ATOM 3107 N GLN D 32 12.493 -10.262 -5.837 1.00 0.00 N ATOM 3108 CA GLN D 32 12.614 -11.597 -6.410 1.00 0.00 C ATOM 3109 C GLN D 32 11.464 -11.902 -7.367 1.00 0.00 C ATOM 3110 O GLN D 32 11.677 -12.448 -8.450 1.00 0.00 O ATOM 3111 CB GLN D 32 12.660 -12.649 -5.299 1.00 0.00 C ATOM 3112 CG GLN D 32 13.122 -14.016 -5.778 1.00 0.00 C ATOM 3113 CD GLN D 32 14.630 -14.167 -5.744 1.00 0.00 C ATOM 3114 OE1 GLN D 32 15.276 -13.839 -4.748 1.00 0.00 O ATOM 3115 NE2 GLN D 32 15.199 -14.665 -6.835 1.00 0.00 N ATOM 0 H GLN D 32 12.345 -10.249 -4.828 1.00 0.00 H new ATOM 0 HA GLN D 32 13.544 -11.630 -6.978 1.00 0.00 H new ATOM 0 HB2 GLN D 32 13.328 -12.304 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN D 32 11.668 -12.744 -4.857 1.00 0.00 H new ATOM 0 HG2 GLN D 32 12.669 -14.787 -5.155 1.00 0.00 H new ATOM 0 HG3 GLN D 32 12.767 -14.179 -6.796 1.00 0.00 H new ATOM 0 HE21 GLN D 32 14.624 -14.923 -7.637 1.00 0.00 H new ATOM 0 HE22 GLN D 32 16.211 -14.789 -6.871 1.00 0.00 H new ATOM 3124 N PHE D 33 10.245 -11.548 -6.965 1.00 0.00 N ATOM 3125 CA PHE D 33 9.058 -11.780 -7.783 1.00 0.00 C ATOM 3126 C PHE D 33 9.037 -10.934 -9.058 1.00 0.00 C ATOM 3127 O PHE D 33 8.747 -11.448 -10.139 1.00 0.00 O ATOM 3128 CB PHE D 33 7.808 -11.559 -6.915 1.00 0.00 C ATOM 3129 CG PHE D 33 6.544 -11.224 -7.659 1.00 0.00 C ATOM 3130 CD1 PHE D 33 6.023 -12.067 -8.628 1.00 0.00 C ATOM 3131 CD2 PHE D 33 5.858 -10.062 -7.347 1.00 0.00 C ATOM 3132 CE1 PHE D 33 4.842 -11.745 -9.281 1.00 0.00 C ATOM 3133 CE2 PHE D 33 4.684 -9.734 -7.994 1.00 0.00 C ATOM 3134 CZ PHE D 33 4.174 -10.575 -8.962 1.00 0.00 C ATOM 0 H PHE D 33 10.054 -11.096 -6.071 1.00 0.00 H new ATOM 0 HA PHE D 33 9.074 -12.812 -8.135 1.00 0.00 H new ATOM 0 HB2 PHE D 33 7.633 -12.460 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE D 33 8.016 -10.754 -6.210 1.00 0.00 H new ATOM 0 HD1 PHE D 33 6.540 -12.982 -8.877 1.00 0.00 H new ATOM 0 HD2 PHE D 33 6.248 -9.402 -6.586 1.00 0.00 H new ATOM 0 HE1 PHE D 33 4.444 -12.406 -10.037 1.00 0.00 H new ATOM 0 HE2 PHE D 33 4.165 -8.821 -7.743 1.00 0.00 H new ATOM 0 HZ PHE D 33 3.255 -10.321 -9.470 1.00 0.00 H new ATOM 3144 N PHE D 34 9.327 -9.646 -8.936 1.00 0.00 N ATOM 3145 CA PHE D 34 9.319 -8.758 -10.095 1.00 0.00 C ATOM 3146 C PHE D 34 10.579 -8.893 -10.962 1.00 0.00 C ATOM 3147 O PHE D 34 10.512 -8.734 -12.180 1.00 0.00 O ATOM 3148 CB PHE D 34 9.079 -7.314 -9.659 1.00 0.00 C ATOM 3149 CG PHE D 34 7.633 -7.067 -9.323 1.00 0.00 C ATOM 3150 CD1 PHE D 34 6.648 -7.296 -10.272 1.00 0.00 C ATOM 3151 CD2 PHE D 34 7.254 -6.640 -8.061 1.00 0.00 C ATOM 3152 CE1 PHE D 34 5.315 -7.097 -9.972 1.00 0.00 C ATOM 3153 CE2 PHE D 34 5.918 -6.444 -7.754 1.00 0.00 C ATOM 3154 CZ PHE D 34 4.948 -6.672 -8.712 1.00 0.00 C ATOM 0 H PHE D 34 9.569 -9.193 -8.055 1.00 0.00 H new ATOM 0 HA PHE D 34 8.490 -9.067 -10.732 1.00 0.00 H new ATOM 0 HB2 PHE D 34 9.698 -7.088 -8.791 1.00 0.00 H new ATOM 0 HB3 PHE D 34 9.388 -6.637 -10.455 1.00 0.00 H new ATOM 0 HD1 PHE D 34 6.927 -7.634 -11.259 1.00 0.00 H new ATOM 0 HD2 PHE D 34 8.008 -6.458 -7.309 1.00 0.00 H new ATOM 0 HE1 PHE D 34 4.560 -7.274 -10.724 1.00 0.00 H new ATOM 0 HE2 PHE D 34 5.634 -6.113 -6.766 1.00 0.00 H new ATOM 0 HZ PHE D 34 3.906 -6.518 -8.475 1.00 0.00 H new ATOM 3164 N ASN D 35 11.724 -9.203 -10.349 1.00 0.00 N ATOM 3165 CA ASN D 35 12.966 -9.369 -11.114 1.00 0.00 C ATOM 3166 C ASN D 35 12.785 -10.382 -12.248 1.00 0.00 C ATOM 3167 O ASN D 35 13.436 -10.290 -13.289 1.00 0.00 O ATOM 3168 CB ASN D 35 14.131 -9.788 -10.204 1.00 0.00 C ATOM 3169 CG ASN D 35 14.790 -8.617 -9.486 1.00 0.00 C ATOM 3170 OD1 ASN D 35 15.976 -8.671 -9.162 1.00 0.00 O ATOM 3171 ND2 ASN D 35 14.036 -7.550 -9.239 1.00 0.00 N ATOM 0 H ASN D 35 11.819 -9.342 -9.343 1.00 0.00 H new ATOM 0 HA ASN D 35 13.209 -8.401 -11.553 1.00 0.00 H new ATOM 0 HB2 ASN D 35 13.766 -10.500 -9.463 1.00 0.00 H new ATOM 0 HB3 ASN D 35 14.881 -10.306 -10.802 1.00 0.00 H new ATOM 0 HD21 ASN D 35 14.437 -6.740 -8.766 1.00 0.00 H new ATOM 0 HD22 ASN D 35 13.056 -7.541 -9.522 1.00 0.00 H new ATOM 3178 N ASP D 36 11.887 -11.337 -12.036 1.00 0.00 N ATOM 3179 CA ASP D 36 11.587 -12.372 -13.026 1.00 0.00 C ATOM 3180 C ASP D 36 11.035 -11.779 -14.327 1.00 0.00 C ATOM 3181 O ASP D 36 11.018 -12.444 -15.363 1.00 0.00 O ATOM 3182 CB ASP D 36 10.596 -13.388 -12.450 1.00 0.00 C ATOM 3183 CG ASP D 36 11.078 -13.981 -11.140 1.00 0.00 C ATOM 3184 OD1 ASP D 36 12.308 -14.082 -10.950 1.00 0.00 O ATOM 3185 OD2 ASP D 36 10.225 -14.346 -10.303 1.00 0.00 O ATOM 0 H ASP D 36 11.346 -11.418 -11.175 1.00 0.00 H new ATOM 0 HA ASP D 36 12.524 -12.875 -13.264 1.00 0.00 H new ATOM 0 HB2 ASP D 36 9.632 -12.904 -12.295 1.00 0.00 H new ATOM 0 HB3 ASP D 36 10.438 -14.189 -13.173 1.00 0.00 H new ATOM 3190 N ASN D 37 10.578 -10.529 -14.264 1.00 0.00 N ATOM 3191 CA ASN D 37 10.020 -9.864 -15.443 1.00 0.00 C ATOM 3192 C ASN D 37 10.993 -8.850 -16.048 1.00 0.00 C ATOM 3193 O ASN D 37 10.857 -8.476 -17.213 1.00 0.00 O ATOM 3194 CB ASN D 37 8.684 -9.193 -15.110 1.00 0.00 C ATOM 3195 CG ASN D 37 8.843 -7.927 -14.293 1.00 0.00 C ATOM 3196 OD1 ASN D 37 9.477 -6.967 -14.732 1.00 0.00 O ATOM 3197 ND2 ASN D 37 8.262 -7.919 -13.101 1.00 0.00 N ATOM 0 H ASN D 37 10.582 -9.960 -13.418 1.00 0.00 H new ATOM 0 HA ASN D 37 9.847 -10.636 -16.192 1.00 0.00 H new ATOM 0 HB2 ASN D 37 8.162 -8.957 -16.037 1.00 0.00 H new ATOM 0 HB3 ASN D 37 8.058 -9.896 -14.561 1.00 0.00 H new ATOM 0 HD21 ASN D 37 8.330 -7.093 -12.506 1.00 0.00 H new ATOM 0 HD22 ASN D 37 7.747 -8.738 -12.779 1.00 0.00 H new ATOM 3204 N GLY D 38 11.985 -8.418 -15.271 1.00 0.00 N ATOM 3205 CA GLY D 38 12.960 -7.468 -15.787 1.00 0.00 C ATOM 3206 C GLY D 38 13.155 -6.246 -14.906 1.00 0.00 C ATOM 3207 O GLY D 38 13.726 -5.248 -15.348 1.00 0.00 O ATOM 0 H GLY D 38 12.131 -8.705 -14.303 1.00 0.00 H new ATOM 0 HA2 GLY D 38 13.918 -7.974 -15.906 1.00 0.00 H new ATOM 0 HA3 GLY D 38 12.646 -7.142 -16.779 1.00 0.00 H new ATOM 3211 N VAL D 39 12.693 -6.314 -13.662 1.00 0.00 N ATOM 3212 CA VAL D 39 12.837 -5.194 -12.735 1.00 0.00 C ATOM 3213 C VAL D 39 14.152 -5.289 -11.968 1.00 0.00 C ATOM 3214 O VAL D 39 14.594 -6.382 -11.614 1.00 0.00 O ATOM 3215 CB VAL D 39 11.670 -5.135 -11.729 1.00 0.00 C ATOM 3216 CG1 VAL D 39 11.757 -3.877 -10.876 1.00 0.00 C ATOM 3217 CG2 VAL D 39 10.337 -5.203 -12.457 1.00 0.00 C ATOM 0 H VAL D 39 12.218 -7.128 -13.272 1.00 0.00 H new ATOM 0 HA VAL D 39 12.829 -4.284 -13.335 1.00 0.00 H new ATOM 0 HB VAL D 39 11.743 -5.997 -11.066 1.00 0.00 H new ATOM 0 HG11 VAL D 39 10.924 -3.856 -10.173 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.697 -3.876 -10.325 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.712 -2.998 -11.519 1.00 0.00 H new ATOM 0 HG21 VAL D 39 9.524 -5.160 -11.732 1.00 0.00 H new ATOM 0 HG22 VAL D 39 10.255 -4.361 -13.145 1.00 0.00 H new ATOM 0 HG23 VAL D 39 10.275 -6.136 -13.017 1.00 0.00 H new ATOM 3227 N ASP D 40 14.776 -4.142 -11.715 1.00 0.00 N ATOM 3228 CA ASP D 40 16.042 -4.111 -10.990 1.00 0.00 C ATOM 3229 C ASP D 40 16.244 -2.770 -10.289 1.00 0.00 C ATOM 3230 O ASP D 40 15.390 -1.885 -10.356 1.00 0.00 O ATOM 3231 CB ASP D 40 17.206 -4.379 -11.945 1.00 0.00 C ATOM 3232 CG ASP D 40 17.152 -5.769 -12.548 1.00 0.00 C ATOM 3233 OD1 ASP D 40 17.705 -6.705 -11.930 1.00 0.00 O ATOM 3234 OD2 ASP D 40 16.559 -5.923 -13.636 1.00 0.00 O ATOM 0 H ASP D 40 14.428 -3.226 -12.000 1.00 0.00 H new ATOM 0 HA ASP D 40 16.012 -4.893 -10.231 1.00 0.00 H new ATOM 0 HB2 ASP D 40 17.194 -3.638 -12.745 1.00 0.00 H new ATOM 0 HB3 ASP D 40 18.147 -4.255 -11.410 1.00 0.00 H new ATOM 3239 N GLY D 41 17.383 -2.630 -9.619 1.00 0.00 N ATOM 3240 CA GLY D 41 17.686 -1.400 -8.911 1.00 0.00 C ATOM 3241 C GLY D 41 17.845 -1.619 -7.419 1.00 0.00 C ATOM 3242 O GLY D 41 18.356 -2.654 -6.990 1.00 0.00 O ATOM 0 H GLY D 41 18.104 -3.349 -9.554 1.00 0.00 H new ATOM 0 HA2 GLY D 41 18.603 -0.969 -9.312 1.00 0.00 H new ATOM 0 HA3 GLY D 41 16.890 -0.677 -9.087 1.00 0.00 H new ATOM 3246 N GLU D 42 17.408 -0.648 -6.624 1.00 0.00 N ATOM 3247 CA GLU D 42 17.510 -0.749 -5.172 1.00 0.00 C ATOM 3248 C GLU D 42 16.371 0.001 -4.488 1.00 0.00 C ATOM 3249 O GLU D 42 15.781 0.917 -5.063 1.00 0.00 O ATOM 3250 CB GLU D 42 18.855 -0.202 -4.694 1.00 0.00 C ATOM 3251 CG GLU D 42 20.011 -1.165 -4.905 1.00 0.00 C ATOM 3252 CD GLU D 42 21.160 -0.915 -3.950 1.00 0.00 C ATOM 3253 OE1 GLU D 42 20.908 -0.825 -2.729 1.00 0.00 O ATOM 3254 OE2 GLU D 42 22.312 -0.809 -4.420 1.00 0.00 O ATOM 0 H GLU D 42 16.981 0.216 -6.959 1.00 0.00 H new ATOM 0 HA GLU D 42 17.437 -1.803 -4.903 1.00 0.00 H new ATOM 0 HB2 GLU D 42 19.067 0.729 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU D 42 18.783 0.040 -3.634 1.00 0.00 H new ATOM 0 HG2 GLU D 42 19.655 -2.187 -4.779 1.00 0.00 H new ATOM 0 HG3 GLU D 42 20.370 -1.077 -5.930 1.00 0.00 H new ATOM 3261 N TRP D 43 16.068 -0.393 -3.255 1.00 0.00 N ATOM 3262 CA TRP D 43 15.002 0.240 -2.488 1.00 0.00 C ATOM 3263 C TRP D 43 15.416 1.622 -2.012 1.00 0.00 C ATOM 3264 O TRP D 43 16.384 1.773 -1.267 1.00 0.00 O ATOM 3265 CB TRP D 43 14.614 -0.632 -1.293 1.00 0.00 C ATOM 3266 CG TRP D 43 13.788 -1.822 -1.674 1.00 0.00 C ATOM 3267 CD1 TRP D 43 14.222 -3.108 -1.822 1.00 0.00 C ATOM 3268 CD2 TRP D 43 12.385 -1.836 -1.961 1.00 0.00 C ATOM 3269 NE1 TRP D 43 13.175 -3.920 -2.182 1.00 0.00 N ATOM 3270 CE2 TRP D 43 12.036 -3.163 -2.273 1.00 0.00 C ATOM 3271 CE3 TRP D 43 11.389 -0.855 -1.983 1.00 0.00 C ATOM 3272 CZ2 TRP D 43 10.735 -3.534 -2.604 1.00 0.00 C ATOM 3273 CZ3 TRP D 43 10.098 -1.224 -2.311 1.00 0.00 C ATOM 3274 CH2 TRP D 43 9.781 -2.553 -2.617 1.00 0.00 C ATOM 0 H TRP D 43 16.547 -1.149 -2.765 1.00 0.00 H new ATOM 0 HA TRP D 43 14.138 0.349 -3.143 1.00 0.00 H new ATOM 0 HB2 TRP D 43 15.520 -0.972 -0.791 1.00 0.00 H new ATOM 0 HB3 TRP D 43 14.059 -0.028 -0.575 1.00 0.00 H new ATOM 0 HD1 TRP D 43 15.240 -3.438 -1.677 1.00 0.00 H new ATOM 0 HE1 TRP D 43 13.235 -4.924 -2.354 1.00 0.00 H new ATOM 0 HE3 TRP D 43 11.624 0.173 -1.748 1.00 0.00 H new ATOM 0 HZ2 TRP D 43 10.488 -4.558 -2.842 1.00 0.00 H new ATOM 0 HZ3 TRP D 43 9.321 -0.475 -2.332 1.00 0.00 H new ATOM 0 HH2 TRP D 43 8.762 -2.809 -2.869 1.00 0.00 H new ATOM 3285 N THR D 44 14.670 2.629 -2.446 1.00 0.00 N ATOM 3286 CA THR D 44 14.950 4.002 -2.065 1.00 0.00 C ATOM 3287 C THR D 44 13.840 4.549 -1.177 1.00 0.00 C ATOM 3288 O THR D 44 12.658 4.298 -1.410 1.00 0.00 O ATOM 3289 CB THR D 44 15.113 4.880 -3.307 1.00 0.00 C ATOM 3290 OG1 THR D 44 13.923 4.890 -4.073 1.00 0.00 O ATOM 3291 CG2 THR D 44 16.240 4.431 -4.210 1.00 0.00 C ATOM 0 H THR D 44 13.866 2.518 -3.063 1.00 0.00 H new ATOM 0 HA THR D 44 15.883 4.016 -1.502 1.00 0.00 H new ATOM 0 HB THR D 44 15.346 5.876 -2.931 1.00 0.00 H new ATOM 0 HG1 THR D 44 13.248 4.330 -3.636 1.00 0.00 H new ATOM 0 HG21 THR D 44 16.302 5.095 -5.072 1.00 0.00 H new ATOM 0 HG22 THR D 44 17.181 4.461 -3.660 1.00 0.00 H new ATOM 0 HG23 THR D 44 16.050 3.413 -4.550 1.00 0.00 H new ATOM 3299 N TYR D 45 14.237 5.307 -0.169 1.00 0.00 N ATOM 3300 CA TYR D 45 13.287 5.912 0.758 1.00 0.00 C ATOM 3301 C TYR D 45 12.522 7.045 0.083 1.00 0.00 C ATOM 3302 O TYR D 45 13.064 7.751 -0.769 1.00 0.00 O ATOM 3303 CB TYR D 45 14.008 6.430 2.002 1.00 0.00 C ATOM 3304 CG TYR D 45 14.314 5.350 3.015 1.00 0.00 C ATOM 3305 CD1 TYR D 45 13.340 4.911 3.902 1.00 0.00 C ATOM 3306 CD2 TYR D 45 15.574 4.770 3.086 1.00 0.00 C ATOM 3307 CE1 TYR D 45 13.611 3.925 4.831 1.00 0.00 C ATOM 3308 CE2 TYR D 45 15.854 3.781 4.010 1.00 0.00 C ATOM 3309 CZ TYR D 45 14.869 3.363 4.881 1.00 0.00 C ATOM 3310 OH TYR D 45 15.144 2.380 5.804 1.00 0.00 O ATOM 0 H TYR D 45 15.214 5.521 0.031 1.00 0.00 H new ATOM 0 HA TYR D 45 12.574 5.146 1.061 1.00 0.00 H new ATOM 0 HB2 TYR D 45 14.940 6.908 1.700 1.00 0.00 H new ATOM 0 HB3 TYR D 45 13.395 7.197 2.475 1.00 0.00 H new ATOM 0 HD1 TYR D 45 12.353 5.348 3.865 1.00 0.00 H new ATOM 0 HD2 TYR D 45 16.348 5.097 2.408 1.00 0.00 H new ATOM 0 HE1 TYR D 45 12.842 3.596 5.514 1.00 0.00 H new ATOM 0 HE2 TYR D 45 16.838 3.338 4.050 1.00 0.00 H new ATOM 0 HH TYR D 45 16.075 2.090 5.706 1.00 0.00 H new ATOM 3320 N ASP D 46 11.261 7.216 0.466 1.00 0.00 N ATOM 3321 CA ASP D 46 10.426 8.266 -0.107 1.00 0.00 C ATOM 3322 C ASP D 46 10.866 9.639 0.392 1.00 0.00 C ATOM 3323 O ASP D 46 11.468 9.759 1.459 1.00 0.00 O ATOM 3324 CB ASP D 46 8.957 8.039 0.255 1.00 0.00 C ATOM 3325 CG ASP D 46 8.290 7.004 -0.627 1.00 0.00 C ATOM 3326 OD1 ASP D 46 8.395 5.800 -0.316 1.00 0.00 O ATOM 3327 OD2 ASP D 46 7.660 7.399 -1.631 1.00 0.00 O ATOM 0 H ASP D 46 10.795 6.642 1.169 1.00 0.00 H new ATOM 0 HA ASP D 46 10.539 8.230 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP D 46 8.888 7.722 1.296 1.00 0.00 H new ATOM 0 HB3 ASP D 46 8.417 8.982 0.173 1.00 0.00 H new ATOM 3332 N ASP D 47 10.560 10.673 -0.385 1.00 0.00 N ATOM 3333 CA ASP D 47 10.924 12.036 -0.018 1.00 0.00 C ATOM 3334 C ASP D 47 10.149 12.485 1.219 1.00 0.00 C ATOM 3335 O ASP D 47 8.953 12.226 1.343 1.00 0.00 O ATOM 3336 CB ASP D 47 10.651 12.992 -1.181 1.00 0.00 C ATOM 3337 CG ASP D 47 11.509 12.686 -2.394 1.00 0.00 C ATOM 3338 OD1 ASP D 47 12.687 12.315 -2.210 1.00 0.00 O ATOM 3339 OD2 ASP D 47 11.002 12.819 -3.528 1.00 0.00 O ATOM 0 H ASP D 47 10.062 10.593 -1.271 1.00 0.00 H new ATOM 0 HA ASP D 47 11.989 12.054 0.212 1.00 0.00 H new ATOM 0 HB2 ASP D 47 9.599 12.931 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP D 47 10.836 14.016 -0.857 1.00 0.00 H new ATOM 3344 N ALA D 48 10.845 13.150 2.138 1.00 0.00 N ATOM 3345 CA ALA D 48 10.229 13.623 3.374 1.00 0.00 C ATOM 3346 C ALA D 48 9.002 14.490 3.100 1.00 0.00 C ATOM 3347 O ALA D 48 9.013 15.343 2.213 1.00 0.00 O ATOM 3348 CB ALA D 48 11.243 14.393 4.204 1.00 0.00 C ATOM 0 H ALA D 48 11.836 13.373 2.050 1.00 0.00 H new ATOM 0 HA ALA D 48 9.896 12.749 3.933 1.00 0.00 H new ATOM 0 HB1 ALA D 48 10.772 14.741 5.123 1.00 0.00 H new ATOM 0 HB2 ALA D 48 12.082 13.742 4.450 1.00 0.00 H new ATOM 0 HB3 ALA D 48 11.604 15.250 3.635 1.00 0.00 H new ATOM 3354 N THR D 49 7.947 14.262 3.877 1.00 0.00 N ATOM 3355 CA THR D 49 6.704 15.013 3.736 1.00 0.00 C ATOM 3356 C THR D 49 6.217 15.504 5.096 1.00 0.00 C ATOM 3357 O THR D 49 6.564 14.936 6.131 1.00 0.00 O ATOM 3358 CB THR D 49 5.628 14.150 3.077 1.00 0.00 C ATOM 3359 OG1 THR D 49 6.131 13.526 1.909 1.00 0.00 O ATOM 3360 CG2 THR D 49 4.392 14.932 2.683 1.00 0.00 C ATOM 0 H THR D 49 7.929 13.558 4.615 1.00 0.00 H new ATOM 0 HA THR D 49 6.899 15.877 3.101 1.00 0.00 H new ATOM 0 HB THR D 49 5.348 13.413 3.830 1.00 0.00 H new ATOM 0 HG1 THR D 49 5.428 12.977 1.503 1.00 0.00 H new ATOM 0 HG21 THR D 49 3.668 14.260 2.221 1.00 0.00 H new ATOM 0 HG22 THR D 49 3.951 15.386 3.570 1.00 0.00 H new ATOM 0 HG23 THR D 49 4.666 15.713 1.974 1.00 0.00 H new ATOM 3368 N LYS D 50 5.415 16.565 5.091 1.00 0.00 N ATOM 3369 CA LYS D 50 4.891 17.126 6.330 1.00 0.00 C ATOM 3370 C LYS D 50 3.371 17.002 6.391 1.00 0.00 C ATOM 3371 O LYS D 50 2.689 17.063 5.368 1.00 0.00 O ATOM 3372 CB LYS D 50 5.298 18.595 6.461 1.00 0.00 C ATOM 3373 CG LYS D 50 5.514 19.042 7.898 1.00 0.00 C ATOM 3374 CD LYS D 50 6.912 18.694 8.386 1.00 0.00 C ATOM 3375 CE LYS D 50 7.969 19.556 7.713 1.00 0.00 C ATOM 3376 NZ LYS D 50 8.419 20.669 8.593 1.00 0.00 N ATOM 0 H LYS D 50 5.115 17.051 4.246 1.00 0.00 H new ATOM 0 HA LYS D 50 5.315 16.560 7.160 1.00 0.00 H new ATOM 0 HB2 LYS D 50 6.215 18.761 5.896 1.00 0.00 H new ATOM 0 HB3 LYS D 50 4.527 19.218 6.007 1.00 0.00 H new ATOM 0 HG2 LYS D 50 5.359 20.118 7.973 1.00 0.00 H new ATOM 0 HG3 LYS D 50 4.774 18.568 8.543 1.00 0.00 H new ATOM 0 HD2 LYS D 50 6.965 18.829 9.466 1.00 0.00 H new ATOM 0 HD3 LYS D 50 7.117 17.642 8.185 1.00 0.00 H new ATOM 0 HE2 LYS D 50 8.825 18.937 7.444 1.00 0.00 H new ATOM 0 HE3 LYS D 50 7.568 19.965 6.786 1.00 0.00 H new ATOM 0 HZ1 LYS D 50 9.139 21.233 8.098 1.00 0.00 H new ATOM 0 HZ2 LYS D 50 7.607 21.274 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS D 50 8.826 20.278 9.467 1.00 0.00 H new ATOM 3390 N THR D 51 2.850 16.825 7.601 1.00 0.00 N ATOM 3391 CA THR D 51 1.414 16.688 7.811 1.00 0.00 C ATOM 3392 C THR D 51 0.996 17.421 9.084 1.00 0.00 C ATOM 3393 O THR D 51 1.542 17.176 10.160 1.00 0.00 O ATOM 3394 CB THR D 51 1.034 15.205 7.886 1.00 0.00 C ATOM 3395 OG1 THR D 51 1.240 14.577 6.633 1.00 0.00 O ATOM 3396 CG2 THR D 51 -0.407 14.964 8.283 1.00 0.00 C ATOM 0 H THR D 51 3.405 16.773 8.455 1.00 0.00 H new ATOM 0 HA THR D 51 0.886 17.137 6.970 1.00 0.00 H new ATOM 0 HB THR D 51 1.677 14.785 8.659 1.00 0.00 H new ATOM 0 HG1 THR D 51 1.284 13.606 6.757 1.00 0.00 H new ATOM 0 HG21 THR D 51 -0.601 13.892 8.315 1.00 0.00 H new ATOM 0 HG22 THR D 51 -0.590 15.395 9.267 1.00 0.00 H new ATOM 0 HG23 THR D 51 -1.068 15.431 7.553 1.00 0.00 H new ATOM 3404 N PHE D 52 0.026 18.323 8.954 1.00 0.00 N ATOM 3405 CA PHE D 52 -0.463 19.094 10.094 1.00 0.00 C ATOM 3406 C PHE D 52 -1.468 18.296 10.918 1.00 0.00 C ATOM 3407 O PHE D 52 -2.541 17.941 10.429 1.00 0.00 O ATOM 3408 CB PHE D 52 -1.105 20.400 9.621 1.00 0.00 C ATOM 3409 CG PHE D 52 -1.449 21.337 10.745 1.00 0.00 C ATOM 3410 CD1 PHE D 52 -0.497 22.205 11.258 1.00 0.00 C ATOM 3411 CD2 PHE D 52 -2.724 21.350 11.287 1.00 0.00 C ATOM 3412 CE1 PHE D 52 -0.812 23.066 12.292 1.00 0.00 C ATOM 3413 CE2 PHE D 52 -3.044 22.210 12.321 1.00 0.00 C ATOM 3414 CZ PHE D 52 -2.087 23.069 12.824 1.00 0.00 C ATOM 0 H PHE D 52 -0.437 18.538 8.071 1.00 0.00 H new ATOM 0 HA PHE D 52 0.394 19.322 10.727 1.00 0.00 H new ATOM 0 HB2 PHE D 52 -0.424 20.903 8.934 1.00 0.00 H new ATOM 0 HB3 PHE D 52 -2.011 20.169 9.060 1.00 0.00 H new ATOM 0 HD1 PHE D 52 0.501 22.208 10.845 1.00 0.00 H new ATOM 0 HD2 PHE D 52 -3.477 20.681 10.897 1.00 0.00 H new ATOM 0 HE1 PHE D 52 -0.062 23.736 12.684 1.00 0.00 H new ATOM 0 HE2 PHE D 52 -4.042 22.210 12.735 1.00 0.00 H new ATOM 0 HZ PHE D 52 -2.335 23.742 13.632 1.00 0.00 H new ATOM 3424 N THR D 53 -1.127 18.030 12.173 1.00 0.00 N ATOM 3425 CA THR D 53 -2.015 17.291 13.060 1.00 0.00 C ATOM 3426 C THR D 53 -2.892 18.255 13.852 1.00 0.00 C ATOM 3427 O THR D 53 -2.388 19.140 14.543 1.00 0.00 O ATOM 3428 CB THR D 53 -1.207 16.408 14.015 1.00 0.00 C ATOM 3429 OG1 THR D 53 -0.402 15.494 13.291 1.00 0.00 O ATOM 3430 CG2 THR D 53 -2.071 15.605 14.964 1.00 0.00 C ATOM 0 H THR D 53 -0.244 18.314 12.598 1.00 0.00 H new ATOM 0 HA THR D 53 -2.655 16.651 12.453 1.00 0.00 H new ATOM 0 HB THR D 53 -0.597 17.097 14.599 1.00 0.00 H new ATOM 0 HG1 THR D 53 0.200 15.988 12.697 1.00 0.00 H new ATOM 0 HG21 THR D 53 -1.436 15.002 15.612 1.00 0.00 H new ATOM 0 HG22 THR D 53 -2.670 16.283 15.572 1.00 0.00 H new ATOM 0 HG23 THR D 53 -2.730 14.952 14.392 1.00 0.00 H new ATOM 3438 N VAL D 54 -4.207 18.087 13.743 1.00 0.00 N ATOM 3439 CA VAL D 54 -5.144 18.956 14.448 1.00 0.00 C ATOM 3440 C VAL D 54 -5.116 18.688 15.947 1.00 0.00 C ATOM 3441 O VAL D 54 -4.740 17.602 16.389 1.00 0.00 O ATOM 3442 CB VAL D 54 -6.587 18.775 13.941 1.00 0.00 C ATOM 3443 CG1 VAL D 54 -7.467 19.917 14.424 1.00 0.00 C ATOM 3444 CG2 VAL D 54 -6.620 18.675 12.422 1.00 0.00 C ATOM 0 H VAL D 54 -4.646 17.361 13.176 1.00 0.00 H new ATOM 0 HA VAL D 54 -4.826 19.979 14.250 1.00 0.00 H new ATOM 0 HB VAL D 54 -6.978 17.843 14.348 1.00 0.00 H new ATOM 0 HG11 VAL D 54 -8.483 19.774 14.057 1.00 0.00 H new ATOM 0 HG12 VAL D 54 -7.474 19.935 15.514 1.00 0.00 H new ATOM 0 HG13 VAL D 54 -7.075 20.862 14.048 1.00 0.00 H new ATOM 0 HG21 VAL D 54 -7.650 18.548 12.088 1.00 0.00 H new ATOM 0 HG22 VAL D 54 -6.208 19.586 11.988 1.00 0.00 H new ATOM 0 HG23 VAL D 54 -6.026 17.819 12.101 1.00 0.00 H new ATOM 3454 N THR D 55 -5.516 19.687 16.725 1.00 0.00 N ATOM 3455 CA THR D 55 -5.538 19.563 18.177 1.00 0.00 C ATOM 3456 C THR D 55 -6.670 20.388 18.778 1.00 0.00 C ATOM 3457 O THR D 55 -7.651 19.842 19.281 1.00 0.00 O ATOM 3458 CB THR D 55 -4.198 20.002 18.768 1.00 0.00 C ATOM 3459 OG1 THR D 55 -3.134 19.255 18.206 1.00 0.00 O ATOM 3460 CG2 THR D 55 -4.126 19.844 20.272 1.00 0.00 C ATOM 0 H THR D 55 -5.830 20.592 16.374 1.00 0.00 H new ATOM 0 HA THR D 55 -5.709 18.515 18.424 1.00 0.00 H new ATOM 0 HB THR D 55 -4.109 21.061 18.526 1.00 0.00 H new ATOM 0 HG1 THR D 55 -2.309 19.435 18.704 1.00 0.00 H new ATOM 0 HG21 THR D 55 -3.149 20.173 20.626 1.00 0.00 H new ATOM 0 HG22 THR D 55 -4.904 20.448 20.739 1.00 0.00 H new ATOM 0 HG23 THR D 55 -4.273 18.797 20.535 1.00 0.00 H new ATOM 3468 N GLU D 56 -6.524 21.704 18.720 1.00 0.00 N ATOM 3469 CA GLU D 56 -7.533 22.610 19.257 1.00 0.00 C ATOM 3470 C GLU D 56 -8.409 23.174 18.143 1.00 0.00 C ATOM 3471 O GLU D 56 -8.292 22.689 16.997 1.00 0.00 O ATOM 3472 CB GLU D 56 -6.865 23.752 20.025 1.00 0.00 C ATOM 3473 CG GLU D 56 -6.510 23.394 21.459 1.00 0.00 C ATOM 3474 CD GLU D 56 -6.153 24.610 22.291 1.00 0.00 C ATOM 3475 OE1 GLU D 56 -5.616 25.583 21.721 1.00 0.00 O ATOM 3476 OE2 GLU D 56 -6.409 24.589 23.513 1.00 0.00 O ATOM 3477 OXT GLU D 56 -9.203 24.096 18.424 1.00 0.00 O ATOM 0 H GLU D 56 -5.716 22.170 18.306 1.00 0.00 H new ATOM 0 HA GLU D 56 -8.167 22.044 19.939 1.00 0.00 H new ATOM 0 HB2 GLU D 56 -5.959 24.051 19.499 1.00 0.00 H new ATOM 0 HB3 GLU D 56 -7.531 24.615 20.029 1.00 0.00 H new ATOM 0 HG2 GLU D 56 -7.352 22.877 21.920 1.00 0.00 H new ATOM 0 HG3 GLU D 56 -5.670 22.699 21.459 1.00 0.00 H new