USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 723 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 NoAdj-H: A 41 HIS HD1 : A 41 HIS ND1 : A 131 ZNZN :(H bumps) USER MOD NoAdj-H: A 91 HIS HD1 : A 91 HIS ND1 : A 132 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 133 ZNZN :(H bumps) USER MOD NoAdj-H: A 101 HIS HD1 : A 101 HIS ND1 : A 133 ZNZN :(H bumps) USER MOD Set 1.1: A 106 ASN : amide:sc= 1.2 K(o=2.4,f=-9.2!) USER MOD Set 1.2: A 109 THR OG1 : rot 83:sc= 1.22 USER MOD Set 2.1: A 96 SER OG : rot 176:sc= 0.351 USER MOD Set 2.2: A 97 GLN : amide:sc= -5.53! C(o=-5.2!,f=-6.7!) USER MOD Set 3.1: A 93 THR OG1 : rot -50:sc= 0.777 USER MOD Set 3.2: A 115 TYR OH : rot 0:sc= 0.74 USER MOD Set 4.1: A 92 SER OG : rot -80:sc= -0.906 USER MOD Set 4.2: A 104 THR OG1 : rot 30:sc= -0.639 USER MOD Set 5.1: A 70 ASN : amide:sc= 0.00621 X(o=0.013,f=-0.23) USER MOD Set 5.2: A 87 SER OG : rot -180:sc= 0.00668 USER MOD Single : A 37 ASN : amide:sc= -0.0992 X(o=-0.099,f=-0.099) USER MOD Single : A 38 HIS : no HD1:sc= 0.034 K(o=0.034,f=-3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 96:sc= -0.917 USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= -0.0019 (180deg=-0.108) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 56 LYS NZ :NH3+ -132:sc= -5.16! (180deg=-10.7!) USER MOD Single : A 57 SER OG : rot -41:sc= 1.23 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.34! C(o=-3.3!,f=-9.7!) USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.101) USER MOD Single : A 67 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.042) USER MOD Single : A 77 ASN : amide:sc= -0.552 K(o=-0.55,f=-1.1!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.758 K(o=-0.76,f=-0.24) USER MOD Single : A 99 THR OG1 : rot 157:sc= 0.498 USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.119) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -41:sc= -0.958 USER MOD Single : A 118 SER OG : rot 180:sc= -0.576 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0203) USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 36 20.366 5.060 10.317 1.00 0.00 N ATOM 2 CA ARG A 36 21.269 5.469 9.208 1.00 0.00 C ATOM 3 C ARG A 36 20.957 4.699 7.929 1.00 0.00 C ATOM 4 O ARG A 36 20.705 5.293 6.881 1.00 0.00 O ATOM 5 CB ARG A 36 22.715 5.215 9.638 1.00 0.00 C ATOM 6 CG ARG A 36 23.739 5.607 8.584 1.00 0.00 C ATOM 7 CD ARG A 36 24.717 4.478 8.304 1.00 0.00 C ATOM 8 NE ARG A 36 25.944 4.608 9.088 1.00 0.00 N ATOM 9 CZ ARG A 36 26.798 3.611 9.299 1.00 0.00 C ATOM 10 NH1 ARG A 36 26.564 2.407 8.788 1.00 0.00 N ATOM 11 NH2 ARG A 36 27.890 3.815 10.023 1.00 0.00 N ATOM 0 HA ARG A 36 21.119 6.528 8.997 1.00 0.00 H new ATOM 0 HB2 ARG A 36 22.916 5.771 10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 36 22.835 4.158 9.874 1.00 0.00 H new ATOM 0 HG2 ARG A 36 23.226 5.881 7.662 1.00 0.00 H new ATOM 0 HG3 ARG A 36 24.286 6.488 8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 36 24.242 3.523 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 36 24.965 4.468 7.243 1.00 0.00 H new ATOM 0 HE ARG A 36 26.158 5.517 9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 36 25.726 2.244 8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 36 27.223 1.646 8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 36 28.075 4.737 10.418 1.00 0.00 H new ATOM 0 HH22 ARG A 36 28.545 3.050 10.185 1.00 0.00 H new ATOM 27 N ASN A 37 20.976 3.374 8.022 1.00 0.00 N ATOM 28 CA ASN A 37 20.695 2.523 6.870 1.00 0.00 C ATOM 29 C ASN A 37 19.207 2.534 6.533 1.00 0.00 C ATOM 30 O ASN A 37 18.364 2.744 7.405 1.00 0.00 O ATOM 31 CB ASN A 37 21.156 1.090 7.142 1.00 0.00 C ATOM 32 CG ASN A 37 21.131 0.230 5.894 1.00 0.00 C ATOM 33 OD1 ASN A 37 20.219 -0.573 5.697 1.00 0.00 O ATOM 34 ND2 ASN A 37 22.135 0.396 5.040 1.00 0.00 N ATOM 0 H ASN A 37 21.183 2.866 8.882 1.00 0.00 H new ATOM 0 HA ASN A 37 21.245 2.919 6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 37 22.167 1.107 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 37 20.515 0.643 7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 37 22.170 -0.154 4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 37 22.870 1.073 5.243 1.00 0.00 H new ATOM 41 N HIS A 38 18.893 2.306 5.262 1.00 0.00 N ATOM 42 CA HIS A 38 17.507 2.289 4.810 1.00 0.00 C ATOM 43 C HIS A 38 17.260 1.125 3.855 1.00 0.00 C ATOM 44 O HIS A 38 18.122 0.779 3.046 1.00 0.00 O ATOM 45 CB HIS A 38 17.154 3.612 4.127 1.00 0.00 C ATOM 46 CG HIS A 38 15.829 4.166 4.549 1.00 0.00 C ATOM 47 ND1 HIS A 38 15.484 5.493 4.398 1.00 0.00 N ATOM 48 CD2 HIS A 38 14.757 3.565 5.121 1.00 0.00 C ATOM 49 CE1 HIS A 38 14.261 5.684 4.859 1.00 0.00 C ATOM 50 NE2 HIS A 38 13.798 4.530 5.303 1.00 0.00 N ATOM 0 H HIS A 38 19.579 2.131 4.528 1.00 0.00 H new ATOM 0 HA HIS A 38 16.868 2.159 5.683 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.931 4.344 4.346 1.00 0.00 H new ATOM 0 HB3 HIS A 38 17.150 3.465 3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.673 2.521 5.385 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.730 6.624 4.871 1.00 0.00 H new ATOM 0 HE2 HIS A 38 12.877 4.380 5.715 1.00 0.00 H new ATOM 59 N CYS A 39 16.079 0.525 3.955 1.00 0.00 N ATOM 60 CA CYS A 39 15.719 -0.600 3.101 1.00 0.00 C ATOM 61 C CYS A 39 15.738 -0.187 1.624 1.00 0.00 C ATOM 62 O CYS A 39 15.196 0.856 1.255 1.00 0.00 O ATOM 63 CB CYS A 39 14.340 -1.144 3.509 1.00 0.00 C ATOM 64 SG CYS A 39 13.323 -1.751 2.142 1.00 0.00 S ATOM 0 H CYS A 39 15.355 0.799 4.619 1.00 0.00 H new ATOM 0 HA CYS A 39 16.455 -1.394 3.230 1.00 0.00 H new ATOM 0 HB2 CYS A 39 14.483 -1.955 4.224 1.00 0.00 H new ATOM 0 HB3 CYS A 39 13.794 -0.355 4.026 1.00 0.00 H new ATOM 69 N PRO A 40 16.370 -1.004 0.761 1.00 0.00 N ATOM 70 CA PRO A 40 16.469 -0.718 -0.679 1.00 0.00 C ATOM 71 C PRO A 40 15.121 -0.748 -1.393 1.00 0.00 C ATOM 72 O PRO A 40 14.829 0.119 -2.217 1.00 0.00 O ATOM 73 CB PRO A 40 17.373 -1.838 -1.205 1.00 0.00 C ATOM 74 CG PRO A 40 17.235 -2.939 -0.212 1.00 0.00 C ATOM 75 CD PRO A 40 17.045 -2.267 1.117 1.00 0.00 C ATOM 0 HA PRO A 40 16.853 0.287 -0.857 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.064 -2.161 -2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.408 -1.506 -1.285 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.386 -3.578 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 40 18.121 -3.574 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.439 -2.872 1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.996 -2.088 1.618 1.00 0.00 H new ATOM 83 N HIS A 41 14.306 -1.754 -1.087 1.00 0.00 N ATOM 84 CA HIS A 41 12.996 -1.899 -1.715 1.00 0.00 C ATOM 85 C HIS A 41 12.224 -0.578 -1.707 1.00 0.00 C ATOM 86 O HIS A 41 11.800 -0.094 -2.757 1.00 0.00 O ATOM 87 CB HIS A 41 12.194 -2.989 -1.002 1.00 0.00 C ATOM 88 CG HIS A 41 12.983 -4.235 -0.737 1.00 0.00 C ATOM 89 ND1 HIS A 41 13.419 -4.553 0.527 1.00 0.00 N ATOM 90 CD2 HIS A 41 13.396 -5.193 -1.601 1.00 0.00 C ATOM 91 CE1 HIS A 41 14.081 -5.689 0.406 1.00 0.00 C ATOM 92 NE2 HIS A 41 14.094 -6.116 -0.866 1.00 0.00 N ATOM 0 H HIS A 41 14.530 -2.481 -0.408 1.00 0.00 H new ATOM 0 HA HIS A 41 13.148 -2.188 -2.755 1.00 0.00 H new ATOM 0 HB2 HIS A 41 11.823 -2.596 -0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 41 11.323 -3.242 -1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 41 13.211 -5.224 -2.665 1.00 0.00 H new ATOM 0 HE1 HIS A 41 14.552 -6.209 1.227 1.00 0.00 H new ATOM 0 HE2 HIS A 41 14.538 -6.964 -1.218 1.00 0.00 H new ATOM 100 N LEU A 42 12.052 0.001 -0.524 1.00 0.00 N ATOM 101 CA LEU A 42 11.339 1.266 -0.389 1.00 0.00 C ATOM 102 C LEU A 42 12.183 2.426 -0.906 1.00 0.00 C ATOM 103 O LEU A 42 11.656 3.392 -1.456 1.00 0.00 O ATOM 104 CB LEU A 42 10.951 1.507 1.071 1.00 0.00 C ATOM 105 CG LEU A 42 12.121 1.558 2.055 1.00 0.00 C ATOM 106 CD1 LEU A 42 12.611 2.988 2.226 1.00 0.00 C ATOM 107 CD2 LEU A 42 11.715 0.967 3.396 1.00 0.00 C ATOM 0 H LEU A 42 12.396 -0.385 0.355 1.00 0.00 H new ATOM 0 HA LEU A 42 10.432 1.208 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.402 2.447 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.268 0.717 1.384 1.00 0.00 H new ATOM 0 HG LEU A 42 12.939 0.961 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 42 13.443 3.006 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 42 12.941 3.377 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.800 3.607 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.559 1.011 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.882 1.537 3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.413 -0.071 3.259 1.00 0.00 H new ATOM 119 N ASP A 43 13.498 2.328 -0.729 1.00 0.00 N ATOM 120 CA ASP A 43 14.407 3.376 -1.184 1.00 0.00 C ATOM 121 C ASP A 43 14.224 3.662 -2.675 1.00 0.00 C ATOM 122 O ASP A 43 14.587 4.735 -3.157 1.00 0.00 O ATOM 123 CB ASP A 43 15.860 2.981 -0.908 1.00 0.00 C ATOM 124 CG ASP A 43 16.801 4.169 -0.955 1.00 0.00 C ATOM 125 OD1 ASP A 43 17.921 4.061 -0.411 1.00 0.00 O ATOM 126 OD2 ASP A 43 16.420 5.206 -1.536 1.00 0.00 O ATOM 0 H ASP A 43 13.956 1.537 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 43 14.169 4.283 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 43 15.925 2.508 0.072 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.178 2.240 -1.642 1.00 0.00 H new ATOM 131 N SER A 44 13.668 2.696 -3.403 1.00 0.00 N ATOM 132 CA SER A 44 13.451 2.853 -4.838 1.00 0.00 C ATOM 133 C SER A 44 12.152 3.599 -5.123 1.00 0.00 C ATOM 134 O SER A 44 12.107 4.475 -5.987 1.00 0.00 O ATOM 135 CB SER A 44 13.425 1.484 -5.521 1.00 0.00 C ATOM 136 OG SER A 44 13.893 1.572 -6.856 1.00 0.00 O ATOM 0 H SER A 44 13.361 1.800 -3.024 1.00 0.00 H new ATOM 0 HA SER A 44 14.277 3.441 -5.239 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.043 0.783 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.409 1.089 -5.514 1.00 0.00 H new ATOM 0 HG SER A 44 13.868 0.684 -7.270 1.00 0.00 H new ATOM 142 N VAL A 45 11.095 3.249 -4.398 1.00 0.00 N ATOM 143 CA VAL A 45 9.799 3.889 -4.583 1.00 0.00 C ATOM 144 C VAL A 45 9.829 5.339 -4.107 1.00 0.00 C ATOM 145 O VAL A 45 10.532 5.676 -3.155 1.00 0.00 O ATOM 146 CB VAL A 45 8.679 3.130 -3.843 1.00 0.00 C ATOM 147 CG1 VAL A 45 8.623 1.681 -4.304 1.00 0.00 C ATOM 148 CG2 VAL A 45 8.866 3.209 -2.333 1.00 0.00 C ATOM 0 H VAL A 45 11.111 2.527 -3.678 1.00 0.00 H new ATOM 0 HA VAL A 45 9.586 3.867 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 45 7.730 3.607 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.827 1.160 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.425 1.647 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.577 1.196 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.062 2.665 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.824 2.766 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.846 4.252 -2.018 1.00 0.00 H new ATOM 158 N GLY A 46 9.061 6.193 -4.776 1.00 0.00 N ATOM 159 CA GLY A 46 9.016 7.595 -4.405 1.00 0.00 C ATOM 160 C GLY A 46 8.058 7.860 -3.260 1.00 0.00 C ATOM 161 O GLY A 46 8.187 7.270 -2.187 1.00 0.00 O ATOM 0 H GLY A 46 8.470 5.939 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.016 7.925 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.717 8.187 -5.270 1.00 0.00 H new ATOM 165 N GLU A 47 7.099 8.749 -3.487 1.00 0.00 N ATOM 166 CA GLU A 47 6.117 9.091 -2.466 1.00 0.00 C ATOM 167 C GLU A 47 4.724 9.229 -3.071 1.00 0.00 C ATOM 168 O GLU A 47 4.575 9.381 -4.283 1.00 0.00 O ATOM 169 CB GLU A 47 6.513 10.391 -1.762 1.00 0.00 C ATOM 170 CG GLU A 47 6.229 10.384 -0.269 1.00 0.00 C ATOM 171 CD GLU A 47 5.981 11.774 0.284 1.00 0.00 C ATOM 172 OE1 GLU A 47 5.163 12.511 -0.308 1.00 0.00 O ATOM 173 OE2 GLU A 47 6.602 12.126 1.307 1.00 0.00 O ATOM 0 H GLU A 47 6.980 9.246 -4.370 1.00 0.00 H new ATOM 0 HA GLU A 47 6.095 8.282 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.576 10.571 -1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.977 11.221 -2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.359 9.758 -0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.072 9.933 0.255 1.00 0.00 H new ATOM 180 N ILE A 48 3.707 9.178 -2.218 1.00 0.00 N ATOM 181 CA ILE A 48 2.325 9.297 -2.666 1.00 0.00 C ATOM 182 C ILE A 48 1.778 10.695 -2.386 1.00 0.00 C ATOM 183 O ILE A 48 2.013 11.262 -1.319 1.00 0.00 O ATOM 184 CB ILE A 48 1.421 8.248 -1.984 1.00 0.00 C ATOM 185 CG1 ILE A 48 0.027 8.254 -2.616 1.00 0.00 C ATOM 186 CG2 ILE A 48 1.337 8.505 -0.486 1.00 0.00 C ATOM 187 CD1 ILE A 48 -0.248 7.041 -3.477 1.00 0.00 C ATOM 0 H ILE A 48 3.814 9.055 -1.211 1.00 0.00 H new ATOM 0 HA ILE A 48 2.320 9.119 -3.741 1.00 0.00 H new ATOM 0 HB ILE A 48 1.861 7.262 -2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.722 8.307 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.085 9.153 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.695 7.755 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.335 8.447 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.921 9.497 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.253 7.110 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.479 6.998 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.168 6.139 -2.871 1.00 0.00 H new ATOM 199 N THR A 49 1.052 11.245 -3.353 1.00 0.00 N ATOM 200 CA THR A 49 0.477 12.578 -3.210 1.00 0.00 C ATOM 201 C THR A 49 -0.756 12.550 -2.314 1.00 0.00 C ATOM 202 O THR A 49 -1.369 11.501 -2.113 1.00 0.00 O ATOM 203 CB THR A 49 0.112 13.147 -4.582 1.00 0.00 C ATOM 204 OG1 THR A 49 -0.575 12.183 -5.359 1.00 0.00 O ATOM 205 CG2 THR A 49 1.315 13.605 -5.379 1.00 0.00 C ATOM 0 H THR A 49 0.848 10.790 -4.243 1.00 0.00 H new ATOM 0 HA THR A 49 1.225 13.219 -2.744 1.00 0.00 H new ATOM 0 HB THR A 49 -0.519 14.011 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.541 12.323 -5.274 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.986 13.997 -6.341 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.840 14.386 -4.829 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.986 12.762 -5.541 1.00 0.00 H new ATOM 213 N LYS A 50 -1.115 13.713 -1.780 1.00 0.00 N ATOM 214 CA LYS A 50 -2.275 13.826 -0.905 1.00 0.00 C ATOM 215 C LYS A 50 -3.549 13.429 -1.644 1.00 0.00 C ATOM 216 O LYS A 50 -4.376 12.685 -1.120 1.00 0.00 O ATOM 217 CB LYS A 50 -2.400 15.255 -0.371 1.00 0.00 C ATOM 218 CG LYS A 50 -2.051 15.384 1.105 1.00 0.00 C ATOM 219 CD LYS A 50 -3.244 15.854 1.923 1.00 0.00 C ATOM 220 CE LYS A 50 -2.826 16.280 3.321 1.00 0.00 C ATOM 221 NZ LYS A 50 -2.094 17.577 3.310 1.00 0.00 N ATOM 0 H LYS A 50 -0.619 14.590 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.137 13.146 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.747 15.909 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.421 15.605 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.706 14.422 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.227 16.088 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.728 16.689 1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.979 15.052 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.709 16.367 3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.193 15.510 3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.020 17.942 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.141 17.434 2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.610 18.262 2.722 1.00 0.00 H new ATOM 235 N GLU A 51 -3.700 13.931 -2.866 1.00 0.00 N ATOM 236 CA GLU A 51 -4.873 13.628 -3.677 1.00 0.00 C ATOM 237 C GLU A 51 -5.003 12.126 -3.902 1.00 0.00 C ATOM 238 O GLU A 51 -6.109 11.594 -3.994 1.00 0.00 O ATOM 239 CB GLU A 51 -4.794 14.356 -5.020 1.00 0.00 C ATOM 240 CG GLU A 51 -6.106 14.997 -5.443 1.00 0.00 C ATOM 241 CD GLU A 51 -5.902 16.244 -6.280 1.00 0.00 C ATOM 242 OE1 GLU A 51 -6.003 16.148 -7.522 1.00 0.00 O ATOM 243 OE2 GLU A 51 -5.643 17.317 -5.696 1.00 0.00 O ATOM 0 H GLU A 51 -3.025 14.549 -3.316 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.756 13.973 -3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.025 15.126 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.480 13.650 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.693 14.275 -6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.685 15.251 -4.555 1.00 0.00 H new ATOM 250 N ASP A 52 -3.865 11.444 -3.985 1.00 0.00 N ATOM 251 CA ASP A 52 -3.855 10.002 -4.194 1.00 0.00 C ATOM 252 C ASP A 52 -4.302 9.274 -2.931 1.00 0.00 C ATOM 253 O ASP A 52 -5.073 8.317 -2.994 1.00 0.00 O ATOM 254 CB ASP A 52 -2.457 9.533 -4.602 1.00 0.00 C ATOM 255 CG ASP A 52 -2.279 9.492 -6.107 1.00 0.00 C ATOM 256 OD1 ASP A 52 -1.867 10.520 -6.685 1.00 0.00 O ATOM 257 OD2 ASP A 52 -2.552 8.431 -6.709 1.00 0.00 O ATOM 0 H ASP A 52 -2.940 11.867 -3.911 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.554 9.768 -4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.712 10.200 -4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.275 8.541 -4.190 1.00 0.00 H new ATOM 262 N LEU A 53 -3.814 9.735 -1.783 1.00 0.00 N ATOM 263 CA LEU A 53 -4.167 9.128 -0.505 1.00 0.00 C ATOM 264 C LEU A 53 -5.612 9.448 -0.131 1.00 0.00 C ATOM 265 O LEU A 53 -6.287 8.645 0.513 1.00 0.00 O ATOM 266 CB LEU A 53 -3.221 9.611 0.598 1.00 0.00 C ATOM 267 CG LEU A 53 -1.815 9.006 0.557 1.00 0.00 C ATOM 268 CD1 LEU A 53 -1.029 9.399 1.800 1.00 0.00 C ATOM 269 CD2 LEU A 53 -1.885 7.491 0.429 1.00 0.00 C ATOM 0 H LEU A 53 -3.174 10.526 -1.712 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.067 8.047 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.135 10.696 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.669 9.384 1.565 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.299 9.400 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.032 8.960 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.946 10.485 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.546 9.034 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.875 7.081 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.421 7.078 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.409 7.227 -0.490 1.00 0.00 H new ATOM 281 N ILE A 54 -6.081 10.624 -0.540 1.00 0.00 N ATOM 282 CA ILE A 54 -7.447 11.045 -0.249 1.00 0.00 C ATOM 283 C ILE A 54 -8.455 10.040 -0.805 1.00 0.00 C ATOM 284 O ILE A 54 -9.403 9.655 -0.120 1.00 0.00 O ATOM 285 CB ILE A 54 -7.737 12.448 -0.829 1.00 0.00 C ATOM 286 CG1 ILE A 54 -6.945 13.511 -0.064 1.00 0.00 C ATOM 287 CG2 ILE A 54 -9.227 12.763 -0.776 1.00 0.00 C ATOM 288 CD1 ILE A 54 -6.610 14.729 -0.896 1.00 0.00 C ATOM 0 H ILE A 54 -5.535 11.301 -1.073 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.550 11.090 0.835 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.424 12.455 -1.873 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.520 13.823 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.020 13.068 0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.404 13.756 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.776 12.024 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.568 12.735 0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.049 15.440 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.009 14.429 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.531 15.196 -1.244 1.00 0.00 H new ATOM 300 N GLN A 55 -8.243 9.616 -2.046 1.00 0.00 N ATOM 301 CA GLN A 55 -9.132 8.653 -2.684 1.00 0.00 C ATOM 302 C GLN A 55 -9.047 7.302 -1.988 1.00 0.00 C ATOM 303 O GLN A 55 -10.060 6.642 -1.763 1.00 0.00 O ATOM 304 CB GLN A 55 -8.786 8.506 -4.168 1.00 0.00 C ATOM 305 CG GLN A 55 -10.005 8.393 -5.069 1.00 0.00 C ATOM 306 CD GLN A 55 -10.670 9.732 -5.319 1.00 0.00 C ATOM 307 OE1 GLN A 55 -10.432 10.701 -4.597 1.00 0.00 O ATOM 308 NE2 GLN A 55 -11.509 9.793 -6.346 1.00 0.00 N ATOM 0 H GLN A 55 -7.465 9.924 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.154 9.023 -2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.192 9.365 -4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.163 7.622 -4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.709 7.955 -6.022 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.726 7.712 -4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.676 8.965 -6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -11.986 10.668 -6.563 1.00 0.00 H new ATOM 317 N LYS A 56 -7.832 6.906 -1.637 1.00 0.00 N ATOM 318 CA LYS A 56 -7.617 5.642 -0.949 1.00 0.00 C ATOM 319 C LYS A 56 -8.183 5.713 0.464 1.00 0.00 C ATOM 320 O LYS A 56 -8.659 4.717 1.009 1.00 0.00 O ATOM 321 CB LYS A 56 -6.123 5.308 -0.902 1.00 0.00 C ATOM 322 CG LYS A 56 -5.433 5.414 -2.252 1.00 0.00 C ATOM 323 CD LYS A 56 -3.942 5.662 -2.096 1.00 0.00 C ATOM 324 CE LYS A 56 -3.154 5.101 -3.270 1.00 0.00 C ATOM 325 NZ LYS A 56 -3.446 3.659 -3.505 1.00 0.00 N ATOM 0 H LYS A 56 -6.982 7.441 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.133 4.854 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.631 5.979 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.997 4.296 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.593 4.496 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.880 6.225 -2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.758 6.733 -2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.592 5.205 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.391 5.669 -4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.088 5.229 -3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.553 3.137 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.975 3.276 -2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.014 3.556 -4.370 1.00 0.00 H new ATOM 339 N SER A 57 -8.131 6.908 1.047 1.00 0.00 N ATOM 340 CA SER A 57 -8.637 7.133 2.395 1.00 0.00 C ATOM 341 C SER A 57 -10.164 7.092 2.432 1.00 0.00 C ATOM 342 O SER A 57 -10.761 7.030 3.507 1.00 0.00 O ATOM 343 CB SER A 57 -8.138 8.477 2.929 1.00 0.00 C ATOM 344 OG SER A 57 -8.948 9.544 2.462 1.00 0.00 O ATOM 0 H SER A 57 -7.741 7.739 0.602 1.00 0.00 H new ATOM 0 HA SER A 57 -8.262 6.330 3.030 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.142 8.463 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.106 8.636 2.616 1.00 0.00 H new ATOM 0 HG SER A 57 -9.176 9.394 1.521 1.00 0.00 H new ATOM 350 N LEU A 58 -10.797 7.131 1.259 1.00 0.00 N ATOM 351 CA LEU A 58 -12.255 7.102 1.186 1.00 0.00 C ATOM 352 C LEU A 58 -12.806 5.800 1.763 1.00 0.00 C ATOM 353 O LEU A 58 -13.981 5.721 2.121 1.00 0.00 O ATOM 354 CB LEU A 58 -12.719 7.265 -0.264 1.00 0.00 C ATOM 355 CG LEU A 58 -12.691 8.698 -0.797 1.00 0.00 C ATOM 356 CD1 LEU A 58 -12.599 8.700 -2.314 1.00 0.00 C ATOM 357 CD2 LEU A 58 -13.924 9.462 -0.334 1.00 0.00 C ATOM 0 H LEU A 58 -10.327 7.182 0.355 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.638 7.932 1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.090 6.644 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.736 6.882 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.808 9.198 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.580 9.728 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.687 8.189 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.464 8.184 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.888 10.480 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.821 8.964 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.947 9.490 0.755 1.00 0.00 H new ATOM 369 N GLY A 59 -11.953 4.783 1.860 1.00 0.00 N ATOM 370 CA GLY A 59 -12.381 3.509 2.405 1.00 0.00 C ATOM 371 C GLY A 59 -12.951 2.577 1.354 1.00 0.00 C ATOM 372 O GLY A 59 -13.990 1.953 1.570 1.00 0.00 O ATOM 0 H GLY A 59 -10.975 4.820 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.534 3.025 2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.133 3.683 3.174 1.00 0.00 H new ATOM 376 N THR A 60 -12.274 2.477 0.215 1.00 0.00 N ATOM 377 CA THR A 60 -12.728 1.606 -0.864 1.00 0.00 C ATOM 378 C THR A 60 -11.544 0.968 -1.586 1.00 0.00 C ATOM 379 O THR A 60 -10.535 1.623 -1.845 1.00 0.00 O ATOM 380 CB THR A 60 -13.582 2.392 -1.860 1.00 0.00 C ATOM 381 OG1 THR A 60 -12.767 3.179 -2.710 1.00 0.00 O ATOM 382 CG2 THR A 60 -14.579 3.317 -1.196 1.00 0.00 C ATOM 0 H THR A 60 -11.413 2.986 0.015 1.00 0.00 H new ATOM 0 HA THR A 60 -13.333 0.813 -0.424 1.00 0.00 H new ATOM 0 HB THR A 60 -14.130 1.638 -2.425 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.332 3.672 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.151 3.844 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 60 -15.257 2.734 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.048 4.041 -0.577 1.00 0.00 H new ATOM 390 N CYS A 61 -11.679 -0.314 -1.910 1.00 0.00 N ATOM 391 CA CYS A 61 -10.624 -1.043 -2.605 1.00 0.00 C ATOM 392 C CYS A 61 -10.751 -0.873 -4.116 1.00 0.00 C ATOM 393 O CYS A 61 -11.857 -0.829 -4.655 1.00 0.00 O ATOM 394 CB CYS A 61 -10.674 -2.527 -2.238 1.00 0.00 C ATOM 395 SG CYS A 61 -9.251 -3.481 -2.817 1.00 0.00 S ATOM 0 H CYS A 61 -12.509 -0.870 -1.702 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.664 -0.632 -2.292 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.743 -2.620 -1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.583 -2.962 -2.654 1.00 0.00 H new ATOM 400 N GLN A 62 -9.613 -0.777 -4.795 1.00 0.00 N ATOM 401 CA GLN A 62 -9.598 -0.610 -6.244 1.00 0.00 C ATOM 402 C GLN A 62 -9.888 -1.929 -6.953 1.00 0.00 C ATOM 403 O GLN A 62 -10.441 -1.944 -8.053 1.00 0.00 O ATOM 404 CB GLN A 62 -8.245 -0.061 -6.700 1.00 0.00 C ATOM 405 CG GLN A 62 -8.346 0.921 -7.856 1.00 0.00 C ATOM 406 CD GLN A 62 -7.778 2.285 -7.515 1.00 0.00 C ATOM 407 OE1 GLN A 62 -6.588 2.420 -7.227 1.00 0.00 O ATOM 408 NE2 GLN A 62 -8.627 3.305 -7.546 1.00 0.00 N ATOM 0 H GLN A 62 -8.689 -0.812 -4.365 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.381 0.100 -6.508 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.759 0.431 -5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.605 -0.893 -6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.816 0.517 -8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.391 1.029 -8.146 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.605 3.147 -7.790 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.302 4.246 -7.326 1.00 0.00 H new ATOM 417 N ASP A 63 -9.504 -3.035 -6.323 1.00 0.00 N ATOM 418 CA ASP A 63 -9.719 -4.357 -6.901 1.00 0.00 C ATOM 419 C ASP A 63 -11.128 -4.864 -6.609 1.00 0.00 C ATOM 420 O ASP A 63 -11.859 -5.254 -7.519 1.00 0.00 O ATOM 421 CB ASP A 63 -8.688 -5.347 -6.355 1.00 0.00 C ATOM 422 CG ASP A 63 -7.417 -5.372 -7.182 1.00 0.00 C ATOM 423 OD1 ASP A 63 -7.357 -6.152 -8.156 1.00 0.00 O ATOM 424 OD2 ASP A 63 -6.481 -4.612 -6.854 1.00 0.00 O ATOM 0 H ASP A 63 -9.043 -3.042 -5.413 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.602 -4.273 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.444 -5.083 -5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.124 -6.346 -6.333 1.00 0.00 H new ATOM 429 N CYS A 64 -11.502 -4.860 -5.334 1.00 0.00 N ATOM 430 CA CYS A 64 -12.823 -5.323 -4.922 1.00 0.00 C ATOM 431 C CYS A 64 -13.587 -4.213 -4.207 1.00 0.00 C ATOM 432 O CYS A 64 -13.164 -3.058 -4.203 1.00 0.00 O ATOM 433 CB CYS A 64 -12.694 -6.545 -4.011 1.00 0.00 C ATOM 434 SG CYS A 64 -11.835 -6.221 -2.453 1.00 0.00 S ATOM 0 H CYS A 64 -10.909 -4.541 -4.568 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.381 -5.604 -5.815 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -13.691 -6.927 -3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -12.163 -7.331 -4.549 1.00 0.00 H new ATOM 439 N LYS A 65 -14.717 -4.570 -3.604 1.00 0.00 N ATOM 440 CA LYS A 65 -15.538 -3.601 -2.887 1.00 0.00 C ATOM 441 C LYS A 65 -15.519 -3.876 -1.387 1.00 0.00 C ATOM 442 O LYS A 65 -16.102 -4.853 -0.917 1.00 0.00 O ATOM 443 CB LYS A 65 -16.976 -3.635 -3.407 1.00 0.00 C ATOM 444 CG LYS A 65 -17.566 -5.034 -3.471 1.00 0.00 C ATOM 445 CD LYS A 65 -17.460 -5.620 -4.871 1.00 0.00 C ATOM 446 CE LYS A 65 -18.559 -5.096 -5.782 1.00 0.00 C ATOM 447 NZ LYS A 65 -18.022 -4.183 -6.830 1.00 0.00 N ATOM 0 H LYS A 65 -15.084 -5.522 -3.598 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.121 -2.609 -3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.601 -3.015 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.004 -3.192 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -17.047 -5.682 -2.764 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -18.612 -5.003 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.487 -5.375 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -17.519 -6.707 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -19.068 -5.935 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -19.303 -4.567 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.721 -3.440 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.141 -3.746 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.829 -4.725 -7.696 1.00 0.00 H new ATOM 461 N VAL A 66 -14.844 -3.007 -0.641 1.00 0.00 N ATOM 462 CA VAL A 66 -14.748 -3.157 0.806 1.00 0.00 C ATOM 463 C VAL A 66 -14.704 -1.798 1.497 1.00 0.00 C ATOM 464 O VAL A 66 -13.756 -1.031 1.319 1.00 0.00 O ATOM 465 CB VAL A 66 -13.501 -3.966 1.208 1.00 0.00 C ATOM 466 CG1 VAL A 66 -13.599 -5.392 0.690 1.00 0.00 C ATOM 467 CG2 VAL A 66 -12.238 -3.290 0.696 1.00 0.00 C ATOM 0 H VAL A 66 -14.356 -2.193 -1.014 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.639 -3.697 1.127 1.00 0.00 H new ATOM 0 HB VAL A 66 -13.450 -4.003 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -12.709 -5.948 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.482 -5.872 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -13.676 -5.380 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -11.367 -3.876 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -12.278 -3.219 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -12.163 -2.290 1.122 1.00 0.00 H new ATOM 477 N GLN A 67 -15.732 -1.506 2.286 1.00 0.00 N ATOM 478 CA GLN A 67 -15.810 -0.240 3.004 1.00 0.00 C ATOM 479 C GLN A 67 -14.812 -0.208 4.157 1.00 0.00 C ATOM 480 O GLN A 67 -14.768 -1.123 4.979 1.00 0.00 O ATOM 481 CB GLN A 67 -17.227 -0.018 3.534 1.00 0.00 C ATOM 482 CG GLN A 67 -18.263 0.186 2.439 1.00 0.00 C ATOM 483 CD GLN A 67 -18.410 1.642 2.041 1.00 0.00 C ATOM 484 OE1 GLN A 67 -18.304 1.989 0.865 1.00 0.00 O ATOM 485 NE2 GLN A 67 -18.657 2.501 3.023 1.00 0.00 N ATOM 0 H GLN A 67 -16.523 -2.130 2.444 1.00 0.00 H new ATOM 0 HA GLN A 67 -15.560 0.561 2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.517 -0.875 4.141 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -17.228 0.852 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.982 -0.400 1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -19.226 -0.193 2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -18.737 2.168 3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -18.767 3.494 2.816 1.00 0.00 H new ATOM 494 N GLY A 68 -14.012 0.853 4.213 1.00 0.00 N ATOM 495 CA GLY A 68 -13.024 0.985 5.270 1.00 0.00 C ATOM 496 C GLY A 68 -13.643 0.899 6.655 1.00 0.00 C ATOM 497 O GLY A 68 -14.845 0.669 6.783 1.00 0.00 O ATOM 0 H GLY A 68 -14.030 1.624 3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.273 0.203 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.508 1.939 5.164 1.00 0.00 H new ATOM 501 N PRO A 69 -12.843 1.078 7.725 1.00 0.00 N ATOM 502 CA PRO A 69 -11.406 1.353 7.629 1.00 0.00 C ATOM 503 C PRO A 69 -10.600 0.107 7.268 1.00 0.00 C ATOM 504 O PRO A 69 -11.130 -0.838 6.684 1.00 0.00 O ATOM 505 CB PRO A 69 -11.029 1.844 9.040 1.00 0.00 C ATOM 506 CG PRO A 69 -12.316 1.957 9.794 1.00 0.00 C ATOM 507 CD PRO A 69 -13.283 1.029 9.119 1.00 0.00 C ATOM 0 HA PRO A 69 -11.187 2.076 6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -10.351 1.144 9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -10.517 2.805 8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -12.179 1.682 10.840 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.686 2.982 9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.230 0.020 9.527 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -14.314 1.364 9.232 1.00 0.00 H new ATOM 515 N ASN A 70 -9.317 0.112 7.620 1.00 0.00 N ATOM 516 CA ASN A 70 -8.438 -1.018 7.334 1.00 0.00 C ATOM 517 C ASN A 70 -8.239 -1.182 5.829 1.00 0.00 C ATOM 518 O ASN A 70 -8.754 -2.123 5.224 1.00 0.00 O ATOM 519 CB ASN A 70 -9.010 -2.306 7.934 1.00 0.00 C ATOM 520 CG ASN A 70 -8.365 -2.661 9.259 1.00 0.00 C ATOM 521 OD1 ASN A 70 -7.435 -3.466 9.315 1.00 0.00 O ATOM 522 ND2 ASN A 70 -8.858 -2.061 10.336 1.00 0.00 N ATOM 0 H ASN A 70 -8.863 0.887 8.104 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.469 -0.818 7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.085 -2.192 8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.866 -3.127 7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.465 -2.261 11.256 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.630 -1.400 10.243 1.00 0.00 H new ATOM 529 N LEU A 71 -7.490 -0.261 5.233 1.00 0.00 N ATOM 530 CA LEU A 71 -7.223 -0.302 3.800 1.00 0.00 C ATOM 531 C LEU A 71 -5.761 0.026 3.508 1.00 0.00 C ATOM 532 O LEU A 71 -5.157 0.866 4.175 1.00 0.00 O ATOM 533 CB LEU A 71 -8.139 0.677 3.059 1.00 0.00 C ATOM 534 CG LEU A 71 -9.309 0.031 2.315 1.00 0.00 C ATOM 535 CD1 LEU A 71 -10.192 1.095 1.681 1.00 0.00 C ATOM 536 CD2 LEU A 71 -8.796 -0.939 1.259 1.00 0.00 C ATOM 0 H LEU A 71 -7.057 0.523 5.720 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.426 -1.313 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.536 1.394 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.540 1.241 2.344 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.909 -0.527 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.019 0.616 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.586 1.751 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.605 1.681 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.641 -1.390 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.174 -0.402 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.206 -1.720 1.738 1.00 0.00 H new ATOM 548 N TRP A 72 -5.199 -0.645 2.507 1.00 0.00 N ATOM 549 CA TRP A 72 -3.808 -0.429 2.128 1.00 0.00 C ATOM 550 C TRP A 72 -3.706 0.209 0.746 1.00 0.00 C ATOM 551 O TRP A 72 -4.649 0.162 -0.043 1.00 0.00 O ATOM 552 CB TRP A 72 -3.041 -1.751 2.149 1.00 0.00 C ATOM 553 CG TRP A 72 -2.952 -2.365 3.512 1.00 0.00 C ATOM 554 CD1 TRP A 72 -3.988 -2.815 4.277 1.00 0.00 C ATOM 555 CD2 TRP A 72 -1.761 -2.595 4.272 1.00 0.00 C ATOM 556 NE1 TRP A 72 -3.515 -3.312 5.468 1.00 0.00 N ATOM 557 CE2 TRP A 72 -2.149 -3.188 5.488 1.00 0.00 C ATOM 558 CE3 TRP A 72 -0.403 -2.358 4.043 1.00 0.00 C ATOM 559 CZ2 TRP A 72 -1.229 -3.546 6.470 1.00 0.00 C ATOM 560 CZ3 TRP A 72 0.510 -2.714 5.018 1.00 0.00 C ATOM 561 CH2 TRP A 72 0.094 -3.303 6.218 1.00 0.00 C ATOM 0 H TRP A 72 -5.686 -1.343 1.944 1.00 0.00 H new ATOM 0 HA TRP A 72 -3.366 0.254 2.853 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.526 -2.455 1.473 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.034 -1.584 1.767 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.028 -2.785 3.989 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.086 -3.708 6.215 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.072 -1.905 3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.548 -3.999 7.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.562 -2.535 4.851 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.832 -3.571 6.960 1.00 0.00 H new ATOM 572 N ALA A 73 -2.554 0.807 0.463 1.00 0.00 N ATOM 573 CA ALA A 73 -2.322 1.455 -0.822 1.00 0.00 C ATOM 574 C ALA A 73 -0.883 1.253 -1.281 1.00 0.00 C ATOM 575 O ALA A 73 0.046 1.301 -0.475 1.00 0.00 O ATOM 576 CB ALA A 73 -2.643 2.939 -0.726 1.00 0.00 C ATOM 0 H ALA A 73 -1.765 0.856 1.108 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.981 0.998 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.466 3.413 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.688 3.068 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.005 3.401 0.027 1.00 0.00 H new ATOM 582 N CYS A 74 -0.701 1.029 -2.580 1.00 0.00 N ATOM 583 CA CYS A 74 0.633 0.823 -3.133 1.00 0.00 C ATOM 584 C CYS A 74 1.526 2.028 -2.849 1.00 0.00 C ATOM 585 O CYS A 74 1.113 3.175 -3.028 1.00 0.00 O ATOM 586 CB CYS A 74 0.555 0.563 -4.638 1.00 0.00 C ATOM 587 SG CYS A 74 2.115 0.011 -5.366 1.00 0.00 S ATOM 0 H CYS A 74 -1.456 0.986 -3.265 1.00 0.00 H new ATOM 0 HA CYS A 74 1.070 -0.051 -2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.210 -0.190 -4.828 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.234 1.477 -5.139 1.00 0.00 H new ATOM 592 N LEU A 75 2.744 1.762 -2.390 1.00 0.00 N ATOM 593 CA LEU A 75 3.692 2.823 -2.065 1.00 0.00 C ATOM 594 C LEU A 75 4.461 3.297 -3.297 1.00 0.00 C ATOM 595 O LEU A 75 5.054 4.376 -3.286 1.00 0.00 O ATOM 596 CB LEU A 75 4.670 2.344 -0.993 1.00 0.00 C ATOM 597 CG LEU A 75 5.527 3.443 -0.361 1.00 0.00 C ATOM 598 CD1 LEU A 75 4.679 4.335 0.533 1.00 0.00 C ATOM 599 CD2 LEU A 75 6.677 2.834 0.428 1.00 0.00 C ATOM 0 H LEU A 75 3.099 0.819 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 75 3.120 3.669 -1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.106 1.846 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.331 1.597 -1.433 1.00 0.00 H new ATOM 0 HG LEU A 75 5.944 4.056 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.306 5.110 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.890 4.799 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.232 3.736 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.276 3.630 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.279 2.197 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.301 2.238 -0.239 1.00 0.00 H new ATOM 611 N GLU A 76 4.451 2.495 -4.358 1.00 0.00 N ATOM 612 CA GLU A 76 5.154 2.852 -5.588 1.00 0.00 C ATOM 613 C GLU A 76 4.712 4.226 -6.089 1.00 0.00 C ATOM 614 O GLU A 76 3.519 4.521 -6.150 1.00 0.00 O ATOM 615 CB GLU A 76 4.906 1.797 -6.669 1.00 0.00 C ATOM 616 CG GLU A 76 6.161 1.392 -7.424 1.00 0.00 C ATOM 617 CD GLU A 76 6.199 1.949 -8.834 1.00 0.00 C ATOM 618 OE1 GLU A 76 7.214 2.581 -9.196 1.00 0.00 O ATOM 619 OE2 GLU A 76 5.213 1.755 -9.576 1.00 0.00 O ATOM 0 H GLU A 76 3.967 1.598 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 76 6.221 2.891 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.468 0.912 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.173 2.181 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.038 1.739 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.221 0.304 -7.465 1.00 0.00 H new ATOM 626 N ASN A 77 5.682 5.063 -6.443 1.00 0.00 N ATOM 627 CA ASN A 77 5.390 6.406 -6.934 1.00 0.00 C ATOM 628 C ASN A 77 4.648 6.352 -8.264 1.00 0.00 C ATOM 629 O ASN A 77 3.715 7.120 -8.499 1.00 0.00 O ATOM 630 CB ASN A 77 6.684 7.206 -7.092 1.00 0.00 C ATOM 631 CG ASN A 77 6.438 8.632 -7.513 1.00 0.00 C ATOM 632 OD1 ASN A 77 5.296 9.059 -7.682 1.00 0.00 O ATOM 633 ND2 ASN A 77 7.517 9.377 -7.685 1.00 0.00 N ATOM 0 H ASN A 77 6.675 4.836 -6.399 1.00 0.00 H new ATOM 0 HA ASN A 77 4.751 6.901 -6.203 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.228 7.199 -6.148 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.320 6.718 -7.830 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.424 10.352 -7.970 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.443 8.977 -7.532 1.00 0.00 H new ATOM 640 N ARG A 78 5.069 5.438 -9.129 1.00 0.00 N ATOM 641 CA ARG A 78 4.448 5.280 -10.439 1.00 0.00 C ATOM 642 C ARG A 78 3.141 4.495 -10.342 1.00 0.00 C ATOM 643 O ARG A 78 2.333 4.506 -11.271 1.00 0.00 O ATOM 644 CB ARG A 78 5.408 4.574 -11.398 1.00 0.00 C ATOM 645 CG ARG A 78 6.289 5.526 -12.190 1.00 0.00 C ATOM 646 CD ARG A 78 7.201 4.777 -13.148 1.00 0.00 C ATOM 647 NE ARG A 78 8.227 4.013 -12.442 1.00 0.00 N ATOM 648 CZ ARG A 78 9.324 3.532 -13.024 1.00 0.00 C ATOM 649 NH1 ARG A 78 9.540 3.732 -14.317 1.00 0.00 N ATOM 650 NH2 ARG A 78 10.208 2.850 -12.309 1.00 0.00 N ATOM 0 H ARG A 78 5.839 4.794 -8.947 1.00 0.00 H new ATOM 0 HA ARG A 78 4.221 6.275 -10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.042 3.895 -10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.831 3.964 -12.093 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.663 6.221 -12.750 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.891 6.122 -11.504 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.605 4.102 -13.763 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.678 5.487 -13.824 1.00 0.00 H new ATOM 0 HE ARG A 78 8.095 3.838 -11.446 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.864 4.257 -14.872 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.382 3.361 -14.757 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.048 2.694 -11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.048 2.481 -12.754 1.00 0.00 H new ATOM 664 N CYS A 79 2.938 3.813 -9.218 1.00 0.00 N ATOM 665 CA CYS A 79 1.730 3.023 -9.013 1.00 0.00 C ATOM 666 C CYS A 79 0.818 3.666 -7.973 1.00 0.00 C ATOM 667 O CYS A 79 1.228 3.914 -6.841 1.00 0.00 O ATOM 668 CB CYS A 79 2.095 1.605 -8.573 1.00 0.00 C ATOM 669 SG CYS A 79 0.917 0.340 -9.104 1.00 0.00 S ATOM 0 H CYS A 79 3.594 3.792 -8.437 1.00 0.00 H new ATOM 0 HA CYS A 79 1.193 2.982 -9.961 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.081 1.356 -8.967 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.171 1.582 -7.486 1.00 0.00 H new ATOM 674 N SER A 80 -0.424 3.926 -8.367 1.00 0.00 N ATOM 675 CA SER A 80 -1.402 4.532 -7.470 1.00 0.00 C ATOM 676 C SER A 80 -2.651 3.661 -7.377 1.00 0.00 C ATOM 677 O SER A 80 -3.760 4.107 -7.676 1.00 0.00 O ATOM 678 CB SER A 80 -1.774 5.934 -7.956 1.00 0.00 C ATOM 679 OG SER A 80 -1.611 6.046 -9.360 1.00 0.00 O ATOM 0 H SER A 80 -0.778 3.726 -9.303 1.00 0.00 H new ATOM 0 HA SER A 80 -0.957 4.611 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.808 6.153 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.151 6.674 -7.454 1.00 0.00 H new ATOM 0 HG SER A 80 -1.857 6.950 -9.647 1.00 0.00 H new ATOM 685 N TYR A 81 -2.460 2.409 -6.972 1.00 0.00 N ATOM 686 CA TYR A 81 -3.565 1.466 -6.850 1.00 0.00 C ATOM 687 C TYR A 81 -3.949 1.244 -5.390 1.00 0.00 C ATOM 688 O TYR A 81 -3.100 1.290 -4.499 1.00 0.00 O ATOM 689 CB TYR A 81 -3.189 0.133 -7.497 1.00 0.00 C ATOM 690 CG TYR A 81 -3.577 0.037 -8.955 1.00 0.00 C ATOM 691 CD1 TYR A 81 -4.893 0.229 -9.357 1.00 0.00 C ATOM 692 CD2 TYR A 81 -2.629 -0.243 -9.930 1.00 0.00 C ATOM 693 CE1 TYR A 81 -5.253 0.144 -10.689 1.00 0.00 C ATOM 694 CE2 TYR A 81 -2.981 -0.330 -11.264 1.00 0.00 C ATOM 695 CZ TYR A 81 -4.294 -0.136 -11.638 1.00 0.00 C ATOM 696 OH TYR A 81 -4.648 -0.221 -12.965 1.00 0.00 O ATOM 0 H TYR A 81 -1.549 2.024 -6.723 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.427 1.890 -7.365 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.113 -0.015 -7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.670 -0.676 -6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.648 0.448 -8.616 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.599 -0.395 -9.641 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -6.281 0.296 -10.984 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.231 -0.549 -12.010 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.854 -0.424 -13.503 1.00 0.00 H new ATOM 706 N VAL A 82 -5.234 0.996 -5.158 1.00 0.00 N ATOM 707 CA VAL A 82 -5.738 0.759 -3.810 1.00 0.00 C ATOM 708 C VAL A 82 -6.033 -0.721 -3.595 1.00 0.00 C ATOM 709 O VAL A 82 -6.734 -1.346 -4.392 1.00 0.00 O ATOM 710 CB VAL A 82 -7.023 1.567 -3.532 1.00 0.00 C ATOM 711 CG1 VAL A 82 -7.275 1.669 -2.035 1.00 0.00 C ATOM 712 CG2 VAL A 82 -6.939 2.951 -4.161 1.00 0.00 C ATOM 0 H VAL A 82 -5.946 0.954 -5.887 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.959 1.085 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.863 1.041 -3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -8.185 2.242 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.388 0.669 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.432 2.169 -1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.856 3.502 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.089 3.490 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.812 2.854 -5.239 1.00 0.00 H new ATOM 722 N GLY A 83 -5.495 -1.278 -2.516 1.00 0.00 N ATOM 723 CA GLY A 83 -5.715 -2.682 -2.222 1.00 0.00 C ATOM 724 C GLY A 83 -5.915 -2.941 -0.741 1.00 0.00 C ATOM 725 O GLY A 83 -5.517 -2.134 0.097 1.00 0.00 O ATOM 0 H GLY A 83 -4.912 -0.784 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.590 -3.032 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.863 -3.262 -2.577 1.00 0.00 H new ATOM 729 N CYS A 84 -6.533 -4.073 -0.420 1.00 0.00 N ATOM 730 CA CYS A 84 -6.783 -4.437 0.969 1.00 0.00 C ATOM 731 C CYS A 84 -5.799 -5.506 1.434 1.00 0.00 C ATOM 732 O CYS A 84 -5.535 -6.474 0.721 1.00 0.00 O ATOM 733 CB CYS A 84 -8.219 -4.935 1.139 1.00 0.00 C ATOM 734 SG CYS A 84 -8.698 -6.228 -0.032 1.00 0.00 S ATOM 0 H CYS A 84 -6.869 -4.753 -1.102 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.643 -3.548 1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.342 -5.315 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.900 -4.091 1.030 1.00 0.00 H new ATOM 739 N GLY A 85 -5.256 -5.319 2.633 1.00 0.00 N ATOM 740 CA GLY A 85 -4.302 -6.269 3.174 1.00 0.00 C ATOM 741 C GLY A 85 -4.925 -7.616 3.484 1.00 0.00 C ATOM 742 O GLY A 85 -5.985 -7.956 2.957 1.00 0.00 O ATOM 0 H GLY A 85 -5.460 -4.525 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.488 -6.406 2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.864 -5.859 4.084 1.00 0.00 H new ATOM 746 N GLU A 86 -4.260 -8.386 4.341 1.00 0.00 N ATOM 747 CA GLU A 86 -4.748 -9.706 4.725 1.00 0.00 C ATOM 748 C GLU A 86 -6.071 -9.615 5.481 1.00 0.00 C ATOM 749 O GLU A 86 -6.783 -10.610 5.623 1.00 0.00 O ATOM 750 CB GLU A 86 -3.706 -10.425 5.585 1.00 0.00 C ATOM 751 CG GLU A 86 -2.290 -10.318 5.042 1.00 0.00 C ATOM 752 CD GLU A 86 -1.460 -9.286 5.780 1.00 0.00 C ATOM 753 OE1 GLU A 86 -1.020 -9.577 6.912 1.00 0.00 O ATOM 754 OE2 GLU A 86 -1.249 -8.187 5.224 1.00 0.00 O ATOM 0 H GLU A 86 -3.381 -8.118 4.783 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.919 -10.275 3.811 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.732 -10.012 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.977 -11.478 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.803 -11.290 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.329 -10.059 3.984 1.00 0.00 H new ATOM 761 N SER A 87 -6.397 -8.421 5.965 1.00 0.00 N ATOM 762 CA SER A 87 -7.636 -8.211 6.705 1.00 0.00 C ATOM 763 C SER A 87 -8.858 -8.495 5.836 1.00 0.00 C ATOM 764 O SER A 87 -9.960 -8.689 6.348 1.00 0.00 O ATOM 765 CB SER A 87 -7.698 -6.778 7.237 1.00 0.00 C ATOM 766 OG SER A 87 -7.153 -6.693 8.542 1.00 0.00 O ATOM 0 H SER A 87 -5.822 -7.586 5.858 1.00 0.00 H new ATOM 0 HA SER A 87 -7.646 -8.908 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.151 -6.114 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.733 -6.436 7.249 1.00 0.00 H new ATOM 0 HG SER A 87 -7.208 -5.768 8.860 1.00 0.00 H new ATOM 772 N GLN A 88 -8.663 -8.516 4.519 1.00 0.00 N ATOM 773 CA GLN A 88 -9.759 -8.773 3.591 1.00 0.00 C ATOM 774 C GLN A 88 -9.435 -9.937 2.657 1.00 0.00 C ATOM 775 O GLN A 88 -9.920 -11.051 2.852 1.00 0.00 O ATOM 776 CB GLN A 88 -10.066 -7.517 2.774 1.00 0.00 C ATOM 777 CG GLN A 88 -10.834 -6.458 3.549 1.00 0.00 C ATOM 778 CD GLN A 88 -12.198 -6.942 4.000 1.00 0.00 C ATOM 779 OE1 GLN A 88 -12.556 -6.824 5.172 1.00 0.00 O ATOM 780 NE2 GLN A 88 -12.968 -7.491 3.068 1.00 0.00 N ATOM 0 H GLN A 88 -7.759 -8.359 4.073 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.637 -9.044 4.178 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.129 -7.087 2.419 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.642 -7.799 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.253 -6.157 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.955 -5.572 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.631 -7.569 2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.897 -7.835 3.312 1.00 0.00 H new ATOM 789 N VAL A 89 -8.619 -9.672 1.639 1.00 0.00 N ATOM 790 CA VAL A 89 -8.245 -10.705 0.675 1.00 0.00 C ATOM 791 C VAL A 89 -6.756 -10.653 0.339 1.00 0.00 C ATOM 792 O VAL A 89 -6.325 -11.199 -0.676 1.00 0.00 O ATOM 793 CB VAL A 89 -9.055 -10.574 -0.630 1.00 0.00 C ATOM 794 CG1 VAL A 89 -8.918 -11.832 -1.476 1.00 0.00 C ATOM 795 CG2 VAL A 89 -10.518 -10.281 -0.329 1.00 0.00 C ATOM 0 H VAL A 89 -8.206 -8.757 1.461 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.469 -11.662 1.147 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.652 -9.736 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.497 -11.719 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.869 -11.989 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.290 -12.690 -0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.071 -10.192 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.937 -11.093 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.595 -9.347 0.228 1.00 0.00 H new ATOM 805 N ASP A 90 -5.972 -10.000 1.193 1.00 0.00 N ATOM 806 CA ASP A 90 -4.529 -9.888 0.975 1.00 0.00 C ATOM 807 C ASP A 90 -4.225 -9.335 -0.414 1.00 0.00 C ATOM 808 O ASP A 90 -3.194 -9.656 -1.008 1.00 0.00 O ATOM 809 CB ASP A 90 -3.854 -11.253 1.145 1.00 0.00 C ATOM 810 CG ASP A 90 -4.498 -12.099 2.227 1.00 0.00 C ATOM 811 OD1 ASP A 90 -3.875 -12.269 3.297 1.00 0.00 O ATOM 812 OD2 ASP A 90 -5.624 -12.591 2.005 1.00 0.00 O ATOM 0 H ASP A 90 -6.308 -9.541 2.040 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.133 -9.196 1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.892 -11.792 0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.801 -11.105 1.385 1.00 0.00 H new ATOM 817 N HIS A 91 -5.124 -8.500 -0.927 1.00 0.00 N ATOM 818 CA HIS A 91 -4.949 -7.902 -2.247 1.00 0.00 C ATOM 819 C HIS A 91 -3.605 -7.191 -2.347 1.00 0.00 C ATOM 820 O HIS A 91 -2.938 -7.244 -3.379 1.00 0.00 O ATOM 821 CB HIS A 91 -6.084 -6.921 -2.541 1.00 0.00 C ATOM 822 CG HIS A 91 -7.203 -7.524 -3.332 1.00 0.00 C ATOM 823 ND1 HIS A 91 -8.484 -7.038 -3.245 1.00 0.00 N ATOM 824 CD2 HIS A 91 -7.182 -8.565 -4.199 1.00 0.00 C ATOM 825 CE1 HIS A 91 -9.211 -7.788 -4.053 1.00 0.00 C ATOM 826 NE2 HIS A 91 -8.466 -8.728 -4.654 1.00 0.00 N ATOM 0 H HIS A 91 -5.981 -8.222 -0.449 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.972 -8.702 -2.987 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.479 -6.541 -1.599 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.683 -6.066 -3.086 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.320 -9.153 -4.478 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.272 -7.661 -4.210 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -8.791 -9.428 -5.320 1.00 0.00 H new ATOM 834 N SER A 92 -3.211 -6.531 -1.263 1.00 0.00 N ATOM 835 CA SER A 92 -1.942 -5.816 -1.229 1.00 0.00 C ATOM 836 C SER A 92 -0.780 -6.769 -1.492 1.00 0.00 C ATOM 837 O SER A 92 0.201 -6.406 -2.142 1.00 0.00 O ATOM 838 CB SER A 92 -1.756 -5.125 0.123 1.00 0.00 C ATOM 839 OG SER A 92 -2.360 -3.843 0.129 1.00 0.00 O ATOM 0 H SER A 92 -3.751 -6.477 -0.399 1.00 0.00 H new ATOM 0 HA SER A 92 -1.956 -5.059 -2.013 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.191 -5.739 0.911 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.693 -5.030 0.343 1.00 0.00 H new ATOM 0 HG SER A 92 -1.768 -3.200 -0.315 1.00 0.00 H new ATOM 845 N THR A 93 -0.903 -7.993 -0.988 1.00 0.00 N ATOM 846 CA THR A 93 0.135 -8.999 -1.173 1.00 0.00 C ATOM 847 C THR A 93 0.169 -9.476 -2.619 1.00 0.00 C ATOM 848 O THR A 93 1.222 -9.486 -3.258 1.00 0.00 O ATOM 849 CB THR A 93 -0.098 -10.184 -0.233 1.00 0.00 C ATOM 850 OG1 THR A 93 -0.785 -9.771 0.934 1.00 0.00 O ATOM 851 CG2 THR A 93 1.184 -10.861 0.204 1.00 0.00 C ATOM 0 H THR A 93 -1.709 -8.311 -0.450 1.00 0.00 H new ATOM 0 HA THR A 93 1.097 -8.545 -0.935 1.00 0.00 H new ATOM 0 HB THR A 93 -0.690 -10.897 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.341 -8.984 1.314 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.948 -11.692 0.869 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.714 -11.235 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.813 -10.143 0.730 1.00 0.00 H new ATOM 859 N ILE A 94 -0.993 -9.862 -3.138 1.00 0.00 N ATOM 860 CA ILE A 94 -1.089 -10.329 -4.516 1.00 0.00 C ATOM 861 C ILE A 94 -0.577 -9.262 -5.472 1.00 0.00 C ATOM 862 O ILE A 94 0.253 -9.534 -6.339 1.00 0.00 O ATOM 863 CB ILE A 94 -2.535 -10.698 -4.909 1.00 0.00 C ATOM 864 CG1 ILE A 94 -3.243 -11.417 -3.757 1.00 0.00 C ATOM 865 CG2 ILE A 94 -2.531 -11.561 -6.164 1.00 0.00 C ATOM 866 CD1 ILE A 94 -4.578 -12.023 -4.142 1.00 0.00 C ATOM 0 H ILE A 94 -1.876 -9.861 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 94 -0.475 -11.227 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.084 -9.780 -5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.592 -12.205 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.397 -10.711 -2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.556 -11.816 -6.433 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.067 -11.011 -6.983 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.967 -12.475 -5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.018 -12.514 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.247 -11.237 -4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.430 -12.754 -4.937 1.00 0.00 H new ATOM 878 N HIS A 95 -1.070 -8.041 -5.295 1.00 0.00 N ATOM 879 CA HIS A 95 -0.653 -6.924 -6.132 1.00 0.00 C ATOM 880 C HIS A 95 0.853 -6.717 -6.019 1.00 0.00 C ATOM 881 O HIS A 95 1.528 -6.428 -7.007 1.00 0.00 O ATOM 882 CB HIS A 95 -1.393 -5.644 -5.724 1.00 0.00 C ATOM 883 CG HIS A 95 -0.878 -4.408 -6.398 1.00 0.00 C ATOM 884 ND1 HIS A 95 -1.600 -3.671 -7.309 1.00 0.00 N ATOM 885 CD2 HIS A 95 0.321 -3.781 -6.275 1.00 0.00 C ATOM 886 CE1 HIS A 95 -0.835 -2.643 -7.705 1.00 0.00 C ATOM 887 NE2 HIS A 95 0.340 -2.664 -7.106 1.00 0.00 N ATOM 0 H HIS A 95 -1.757 -7.801 -4.581 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.901 -7.155 -7.168 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.452 -5.758 -5.955 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.314 -5.518 -4.644 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -2.548 -3.871 -7.627 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.131 -4.098 -5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.141 -1.895 -8.421 1.00 0.00 H new ATOM 895 N SER A 96 1.373 -6.876 -4.805 1.00 0.00 N ATOM 896 CA SER A 96 2.799 -6.715 -4.559 1.00 0.00 C ATOM 897 C SER A 96 3.610 -7.674 -5.427 1.00 0.00 C ATOM 898 O SER A 96 4.621 -7.295 -6.009 1.00 0.00 O ATOM 899 CB SER A 96 3.114 -6.951 -3.080 1.00 0.00 C ATOM 900 OG SER A 96 4.479 -7.286 -2.891 1.00 0.00 O ATOM 0 H SER A 96 0.827 -7.116 -3.978 1.00 0.00 H new ATOM 0 HA SER A 96 3.076 -5.694 -4.821 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.875 -6.055 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.484 -7.753 -2.695 1.00 0.00 H new ATOM 0 HG SER A 96 4.668 -7.360 -1.932 1.00 0.00 H new ATOM 906 N GLN A 97 3.162 -8.918 -5.512 1.00 0.00 N ATOM 907 CA GLN A 97 3.862 -9.913 -6.315 1.00 0.00 C ATOM 908 C GLN A 97 3.702 -9.625 -7.806 1.00 0.00 C ATOM 909 O GLN A 97 4.678 -9.620 -8.557 1.00 0.00 O ATOM 910 CB GLN A 97 3.340 -11.316 -5.995 1.00 0.00 C ATOM 911 CG GLN A 97 3.891 -11.888 -4.699 1.00 0.00 C ATOM 912 CD GLN A 97 3.301 -11.223 -3.472 1.00 0.00 C ATOM 913 OE1 GLN A 97 2.422 -11.777 -2.812 1.00 0.00 O ATOM 914 NE2 GLN A 97 3.783 -10.025 -3.159 1.00 0.00 N ATOM 0 H GLN A 97 2.325 -9.261 -5.040 1.00 0.00 H new ATOM 0 HA GLN A 97 4.922 -9.861 -6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.252 -11.285 -5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.596 -11.986 -6.816 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.686 -12.958 -4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 97 4.975 -11.771 -4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.512 -9.602 -3.734 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.424 -9.528 -2.344 1.00 0.00 H new ATOM 923 N GLU A 98 2.463 -9.388 -8.227 1.00 0.00 N ATOM 924 CA GLU A 98 2.160 -9.108 -9.630 1.00 0.00 C ATOM 925 C GLU A 98 3.060 -8.016 -10.206 1.00 0.00 C ATOM 926 O GLU A 98 3.622 -8.174 -11.291 1.00 0.00 O ATOM 927 CB GLU A 98 0.694 -8.701 -9.779 1.00 0.00 C ATOM 928 CG GLU A 98 -0.264 -9.880 -9.816 1.00 0.00 C ATOM 929 CD GLU A 98 -1.450 -9.640 -10.729 1.00 0.00 C ATOM 930 OE1 GLU A 98 -1.962 -8.501 -10.750 1.00 0.00 O ATOM 931 OE2 GLU A 98 -1.867 -10.590 -11.424 1.00 0.00 O ATOM 0 H GLU A 98 1.648 -9.384 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 98 2.349 -10.023 -10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.421 -8.048 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.578 -8.120 -10.694 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.272 -10.769 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.622 -10.084 -8.807 1.00 0.00 H new ATOM 938 N THR A 99 3.185 -6.904 -9.490 1.00 0.00 N ATOM 939 CA THR A 99 4.008 -5.789 -9.954 1.00 0.00 C ATOM 940 C THR A 99 5.341 -5.719 -9.214 1.00 0.00 C ATOM 941 O THR A 99 6.073 -4.737 -9.335 1.00 0.00 O ATOM 942 CB THR A 99 3.254 -4.471 -9.780 1.00 0.00 C ATOM 943 OG1 THR A 99 2.834 -4.308 -8.437 1.00 0.00 O ATOM 944 CG2 THR A 99 2.029 -4.359 -10.661 1.00 0.00 C ATOM 0 H THR A 99 2.730 -6.749 -8.590 1.00 0.00 H new ATOM 0 HA THR A 99 4.219 -5.956 -11.010 1.00 0.00 H new ATOM 0 HB THR A 99 3.961 -3.694 -10.071 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.696 -3.356 -8.251 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.542 -3.400 -10.487 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.326 -4.431 -11.707 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.336 -5.166 -10.424 1.00 0.00 H new ATOM 952 N LYS A 100 5.660 -6.758 -8.450 1.00 0.00 N ATOM 953 CA LYS A 100 6.910 -6.790 -7.698 1.00 0.00 C ATOM 954 C LYS A 100 7.012 -5.602 -6.739 1.00 0.00 C ATOM 955 O LYS A 100 8.105 -5.232 -6.311 1.00 0.00 O ATOM 956 CB LYS A 100 8.103 -6.788 -8.656 1.00 0.00 C ATOM 957 CG LYS A 100 8.375 -8.142 -9.291 1.00 0.00 C ATOM 958 CD LYS A 100 9.866 -8.392 -9.454 1.00 0.00 C ATOM 959 CE LYS A 100 10.173 -9.098 -10.764 1.00 0.00 C ATOM 960 NZ LYS A 100 9.374 -10.344 -10.924 1.00 0.00 N ATOM 0 H LYS A 100 5.074 -7.585 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 100 6.922 -7.706 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.925 -6.056 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.992 -6.464 -8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.938 -8.928 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.888 -8.193 -10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.401 -7.443 -9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.228 -8.995 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.966 -8.425 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.235 -9.340 -10.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.772 -10.915 -11.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.403 -10.891 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.388 -10.098 -11.147 1.00 0.00 H new ATOM 974 N HIS A 101 5.866 -5.023 -6.389 1.00 0.00 N ATOM 975 CA HIS A 101 5.827 -3.898 -5.463 1.00 0.00 C ATOM 976 C HIS A 101 5.743 -4.409 -4.028 1.00 0.00 C ATOM 977 O HIS A 101 4.660 -4.733 -3.539 1.00 0.00 O ATOM 978 CB HIS A 101 4.627 -2.994 -5.765 1.00 0.00 C ATOM 979 CG HIS A 101 4.640 -2.415 -7.146 1.00 0.00 C ATOM 980 ND1 HIS A 101 3.537 -1.780 -7.668 1.00 0.00 N ATOM 981 CD2 HIS A 101 5.635 -2.401 -8.064 1.00 0.00 C ATOM 982 CE1 HIS A 101 3.885 -1.396 -8.883 1.00 0.00 C ATOM 983 NE2 HIS A 101 5.148 -1.750 -9.168 1.00 0.00 N ATOM 0 H HIS A 101 4.952 -5.316 -6.734 1.00 0.00 H new ATOM 0 HA HIS A 101 6.741 -3.316 -5.585 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.709 -3.566 -5.630 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.605 -2.180 -5.040 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.623 -2.822 -7.949 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.235 -0.864 -9.562 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.649 -1.570 -10.038 1.00 0.00 H new ATOM 991 N TYR A 102 6.890 -4.494 -3.365 1.00 0.00 N ATOM 992 CA TYR A 102 6.944 -4.985 -1.991 1.00 0.00 C ATOM 993 C TYR A 102 6.824 -3.848 -0.982 1.00 0.00 C ATOM 994 O TYR A 102 7.366 -3.929 0.118 1.00 0.00 O ATOM 995 CB TYR A 102 8.250 -5.741 -1.753 1.00 0.00 C ATOM 996 CG TYR A 102 8.599 -6.714 -2.853 1.00 0.00 C ATOM 997 CD1 TYR A 102 9.722 -6.523 -3.646 1.00 0.00 C ATOM 998 CD2 TYR A 102 7.803 -7.826 -3.099 1.00 0.00 C ATOM 999 CE1 TYR A 102 10.043 -7.412 -4.654 1.00 0.00 C ATOM 1000 CE2 TYR A 102 8.117 -8.720 -4.103 1.00 0.00 C ATOM 1001 CZ TYR A 102 9.238 -8.508 -4.879 1.00 0.00 C ATOM 1002 OH TYR A 102 9.555 -9.396 -5.881 1.00 0.00 O ATOM 0 H TYR A 102 7.795 -4.230 -3.755 1.00 0.00 H new ATOM 0 HA TYR A 102 6.098 -5.657 -1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 102 9.062 -5.021 -1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 102 8.179 -6.283 -0.810 1.00 0.00 H new ATOM 0 HD1 TYR A 102 10.355 -5.666 -3.472 1.00 0.00 H new ATOM 0 HD2 TYR A 102 6.924 -7.994 -2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.920 -7.249 -5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 102 7.489 -9.580 -4.280 1.00 0.00 H new ATOM 0 HH TYR A 102 8.887 -10.113 -5.906 1.00 0.00 H new ATOM 1012 N LEU A 103 6.114 -2.790 -1.357 1.00 0.00 N ATOM 1013 CA LEU A 103 5.934 -1.647 -0.470 1.00 0.00 C ATOM 1014 C LEU A 103 4.489 -1.168 -0.485 1.00 0.00 C ATOM 1015 O LEU A 103 3.974 -0.746 -1.520 1.00 0.00 O ATOM 1016 CB LEU A 103 6.866 -0.506 -0.877 1.00 0.00 C ATOM 1017 CG LEU A 103 8.342 -0.721 -0.535 1.00 0.00 C ATOM 1018 CD1 LEU A 103 8.505 -1.083 0.933 1.00 0.00 C ATOM 1019 CD2 LEU A 103 8.945 -1.799 -1.425 1.00 0.00 C ATOM 0 H LEU A 103 5.656 -2.700 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 103 6.181 -1.964 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.777 -0.351 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.527 0.410 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 103 8.876 0.212 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.562 -1.232 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.114 -0.276 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.957 -2.001 1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.995 -1.938 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.408 -2.736 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.865 -1.496 -2.469 1.00 0.00 H new ATOM 1031 N THR A 104 3.841 -1.235 0.672 1.00 0.00 N ATOM 1032 CA THR A 104 2.452 -0.806 0.790 1.00 0.00 C ATOM 1033 C THR A 104 2.247 0.030 2.049 1.00 0.00 C ATOM 1034 O THR A 104 2.863 -0.227 3.081 1.00 0.00 O ATOM 1035 CB THR A 104 1.521 -2.018 0.804 1.00 0.00 C ATOM 1036 OG1 THR A 104 0.170 -1.612 0.933 1.00 0.00 O ATOM 1037 CG2 THR A 104 1.818 -2.989 1.928 1.00 0.00 C ATOM 0 H THR A 104 4.253 -1.581 1.539 1.00 0.00 H new ATOM 0 HA THR A 104 2.212 -0.187 -0.075 1.00 0.00 H new ATOM 0 HB THR A 104 1.692 -2.524 -0.146 1.00 0.00 H new ATOM 0 HG1 THR A 104 0.054 -0.728 0.527 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.121 -3.826 1.880 1.00 0.00 H new ATOM 0 HG22 THR A 104 2.838 -3.360 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.709 -2.481 2.886 1.00 0.00 H new ATOM 1045 N VAL A 105 1.379 1.032 1.957 1.00 0.00 N ATOM 1046 CA VAL A 105 1.099 1.903 3.092 1.00 0.00 C ATOM 1047 C VAL A 105 -0.375 1.853 3.479 1.00 0.00 C ATOM 1048 O VAL A 105 -1.253 2.130 2.662 1.00 0.00 O ATOM 1049 CB VAL A 105 1.493 3.365 2.791 1.00 0.00 C ATOM 1050 CG1 VAL A 105 0.669 3.923 1.638 1.00 0.00 C ATOM 1051 CG2 VAL A 105 1.337 4.228 4.035 1.00 0.00 C ATOM 0 H VAL A 105 0.858 1.261 1.110 1.00 0.00 H new ATOM 0 HA VAL A 105 1.700 1.537 3.924 1.00 0.00 H new ATOM 0 HB VAL A 105 2.541 3.381 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.965 4.954 1.445 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.840 3.323 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.389 3.892 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.619 5.255 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.299 4.203 4.367 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.981 3.845 4.827 1.00 0.00 H new ATOM 1061 N ASN A 106 -0.638 1.501 4.733 1.00 0.00 N ATOM 1062 CA ASN A 106 -2.005 1.417 5.234 1.00 0.00 C ATOM 1063 C ASN A 106 -2.514 2.793 5.645 1.00 0.00 C ATOM 1064 O ASN A 106 -1.926 3.455 6.499 1.00 0.00 O ATOM 1065 CB ASN A 106 -2.085 0.454 6.422 1.00 0.00 C ATOM 1066 CG ASN A 106 -0.956 0.655 7.416 1.00 0.00 C ATOM 1067 OD1 ASN A 106 -1.012 1.542 8.266 1.00 0.00 O ATOM 1068 ND2 ASN A 106 0.079 -0.171 7.307 1.00 0.00 N ATOM 0 H ASN A 106 0.078 1.269 5.421 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.636 1.037 4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.040 0.589 6.930 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.062 -0.572 6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 106 0.871 -0.084 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 106 0.082 -0.893 6.586 1.00 0.00 H new ATOM 1075 N LEU A 107 -3.610 3.221 5.028 1.00 0.00 N ATOM 1076 CA LEU A 107 -4.198 4.523 5.325 1.00 0.00 C ATOM 1077 C LEU A 107 -4.877 4.533 6.695 1.00 0.00 C ATOM 1078 O LEU A 107 -5.277 5.586 7.189 1.00 0.00 O ATOM 1079 CB LEU A 107 -5.210 4.903 4.244 1.00 0.00 C ATOM 1080 CG LEU A 107 -4.777 4.575 2.810 1.00 0.00 C ATOM 1081 CD1 LEU A 107 -5.811 3.696 2.125 1.00 0.00 C ATOM 1082 CD2 LEU A 107 -4.548 5.852 2.016 1.00 0.00 C ATOM 0 H LEU A 107 -4.110 2.685 4.318 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.390 5.255 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.150 4.391 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.408 5.973 4.312 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.837 4.025 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.485 3.475 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.923 2.765 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.768 4.217 2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.241 5.599 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.471 6.430 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.767 6.443 2.494 1.00 0.00 H new ATOM 1094 N THR A 108 -5.011 3.356 7.302 1.00 0.00 N ATOM 1095 CA THR A 108 -5.651 3.241 8.608 1.00 0.00 C ATOM 1096 C THR A 108 -4.726 3.721 9.722 1.00 0.00 C ATOM 1097 O THR A 108 -5.155 4.425 10.636 1.00 0.00 O ATOM 1098 CB THR A 108 -6.071 1.793 8.863 1.00 0.00 C ATOM 1099 OG1 THR A 108 -6.541 1.193 7.669 1.00 0.00 O ATOM 1100 CG2 THR A 108 -7.161 1.661 9.905 1.00 0.00 C ATOM 0 H THR A 108 -4.686 2.472 6.911 1.00 0.00 H new ATOM 0 HA THR A 108 -6.536 3.877 8.606 1.00 0.00 H new ATOM 0 HB THR A 108 -5.177 1.291 9.233 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.096 1.834 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.412 0.609 10.038 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.811 2.073 10.852 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.046 2.206 9.577 1.00 0.00 H new ATOM 1108 N THR A 109 -3.459 3.335 9.643 1.00 0.00 N ATOM 1109 CA THR A 109 -2.476 3.726 10.651 1.00 0.00 C ATOM 1110 C THR A 109 -1.340 4.547 10.038 1.00 0.00 C ATOM 1111 O THR A 109 -0.388 4.911 10.728 1.00 0.00 O ATOM 1112 CB THR A 109 -1.909 2.487 11.349 1.00 0.00 C ATOM 1113 OG1 THR A 109 -2.160 1.319 10.585 1.00 0.00 O ATOM 1114 CG2 THR A 109 -2.486 2.264 12.730 1.00 0.00 C ATOM 0 H THR A 109 -3.086 2.752 8.893 1.00 0.00 H new ATOM 0 HA THR A 109 -2.985 4.351 11.385 1.00 0.00 H new ATOM 0 HB THR A 109 -0.839 2.673 11.444 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.477 1.231 9.887 1.00 0.00 H new ATOM 0 HG21 THR A 109 -2.043 1.371 13.170 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.266 3.126 13.360 1.00 0.00 H new ATOM 0 HG23 THR A 109 -3.566 2.135 12.657 1.00 0.00 H new ATOM 1122 N LEU A 110 -1.442 4.839 8.743 1.00 0.00 N ATOM 1123 CA LEU A 110 -0.421 5.618 8.051 1.00 0.00 C ATOM 1124 C LEU A 110 0.957 4.977 8.197 1.00 0.00 C ATOM 1125 O LEU A 110 1.963 5.672 8.351 1.00 0.00 O ATOM 1126 CB LEU A 110 -0.392 7.049 8.591 1.00 0.00 C ATOM 1127 CG LEU A 110 -1.384 8.009 7.934 1.00 0.00 C ATOM 1128 CD1 LEU A 110 -1.279 9.393 8.556 1.00 0.00 C ATOM 1129 CD2 LEU A 110 -1.145 8.078 6.433 1.00 0.00 C ATOM 0 H LEU A 110 -2.221 4.547 8.153 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.675 5.639 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.592 7.021 9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.614 7.448 8.465 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.392 7.632 8.104 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.992 10.063 8.076 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.500 9.331 9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.269 9.779 8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -1.860 8.766 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.132 8.431 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.272 7.086 5.998 1.00 0.00 H new ATOM 1141 N ARG A 111 0.998 3.649 8.150 1.00 0.00 N ATOM 1142 CA ARG A 111 2.254 2.918 8.278 1.00 0.00 C ATOM 1143 C ARG A 111 2.597 2.194 6.977 1.00 0.00 C ATOM 1144 O ARG A 111 1.709 1.823 6.210 1.00 0.00 O ATOM 1145 CB ARG A 111 2.167 1.916 9.430 1.00 0.00 C ATOM 1146 CG ARG A 111 1.982 2.569 10.791 1.00 0.00 C ATOM 1147 CD ARG A 111 3.207 3.371 11.194 1.00 0.00 C ATOM 1148 NE ARG A 111 3.059 3.967 12.520 1.00 0.00 N ATOM 1149 CZ ARG A 111 3.077 3.267 13.652 1.00 0.00 C ATOM 1150 NH1 ARG A 111 3.236 1.950 13.626 1.00 0.00 N ATOM 1151 NH2 ARG A 111 2.936 3.888 14.816 1.00 0.00 N ATOM 0 H ARG A 111 0.177 3.058 8.024 1.00 0.00 H new ATOM 0 HA ARG A 111 3.046 3.636 8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.336 1.235 9.247 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.075 1.313 9.446 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.110 3.222 10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.785 1.802 11.540 1.00 0.00 H new ATOM 0 HD2 ARG A 111 4.084 2.724 11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.383 4.158 10.460 1.00 0.00 H new ATOM 0 HE ARG A 111 2.935 4.978 12.582 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.346 1.467 12.734 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.249 1.421 14.498 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.814 4.900 14.842 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.950 3.353 15.684 1.00 0.00 H new ATOM 1165 N VAL A 112 3.891 1.998 6.737 1.00 0.00 N ATOM 1166 CA VAL A 112 4.350 1.320 5.530 1.00 0.00 C ATOM 1167 C VAL A 112 4.847 -0.087 5.843 1.00 0.00 C ATOM 1168 O VAL A 112 5.336 -0.353 6.940 1.00 0.00 O ATOM 1169 CB VAL A 112 5.477 2.107 4.834 1.00 0.00 C ATOM 1170 CG1 VAL A 112 5.779 1.511 3.468 1.00 0.00 C ATOM 1171 CG2 VAL A 112 5.105 3.576 4.711 1.00 0.00 C ATOM 0 H VAL A 112 4.639 2.299 7.362 1.00 0.00 H new ATOM 0 HA VAL A 112 3.493 1.259 4.859 1.00 0.00 H new ATOM 0 HB VAL A 112 6.377 2.034 5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.577 2.080 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 112 6.092 0.474 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 112 4.884 1.552 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.913 4.116 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.192 3.672 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 112 4.943 3.995 5.704 1.00 0.00 H new ATOM 1181 N TRP A 113 4.712 -0.987 4.875 1.00 0.00 N ATOM 1182 CA TRP A 113 5.142 -2.369 5.052 1.00 0.00 C ATOM 1183 C TRP A 113 6.027 -2.830 3.898 1.00 0.00 C ATOM 1184 O TRP A 113 5.768 -2.513 2.734 1.00 0.00 O ATOM 1185 CB TRP A 113 3.924 -3.289 5.175 1.00 0.00 C ATOM 1186 CG TRP A 113 4.282 -4.728 5.390 1.00 0.00 C ATOM 1187 CD1 TRP A 113 4.371 -5.702 4.438 1.00 0.00 C ATOM 1188 CD2 TRP A 113 4.598 -5.356 6.638 1.00 0.00 C ATOM 1189 NE1 TRP A 113 4.722 -6.898 5.017 1.00 0.00 N ATOM 1190 CE2 TRP A 113 4.867 -6.711 6.367 1.00 0.00 C ATOM 1191 CE3 TRP A 113 4.679 -4.905 7.959 1.00 0.00 C ATOM 1192 CZ2 TRP A 113 5.212 -7.617 7.366 1.00 0.00 C ATOM 1193 CZ3 TRP A 113 5.021 -5.805 8.951 1.00 0.00 C ATOM 1194 CH2 TRP A 113 5.284 -7.147 8.650 1.00 0.00 C ATOM 0 H TRP A 113 4.308 -0.784 3.960 1.00 0.00 H new ATOM 0 HA TRP A 113 5.729 -2.421 5.969 1.00 0.00 H new ATOM 0 HB2 TRP A 113 3.304 -2.949 6.005 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.321 -3.204 4.271 1.00 0.00 H new ATOM 0 HD1 TRP A 113 4.192 -5.554 3.383 1.00 0.00 H new ATOM 0 HE1 TRP A 113 4.853 -7.781 4.523 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.478 -3.872 8.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 5.415 -8.653 7.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.086 -5.468 9.975 1.00 0.00 H new ATOM 0 HH2 TRP A 113 5.549 -7.826 9.447 1.00 0.00 H new ATOM 1205 N CYS A 114 7.066 -3.589 4.237 1.00 0.00 N ATOM 1206 CA CYS A 114 8.001 -4.118 3.249 1.00 0.00 C ATOM 1207 C CYS A 114 7.904 -5.642 3.188 1.00 0.00 C ATOM 1208 O CYS A 114 8.280 -6.333 4.137 1.00 0.00 O ATOM 1209 CB CYS A 114 9.430 -3.702 3.598 1.00 0.00 C ATOM 1210 SG CYS A 114 10.624 -4.008 2.278 1.00 0.00 S ATOM 0 H CYS A 114 7.282 -3.853 5.198 1.00 0.00 H new ATOM 0 HA CYS A 114 7.741 -3.709 2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 114 9.439 -2.640 3.844 1.00 0.00 H new ATOM 0 HB3 CYS A 114 9.746 -4.239 4.492 1.00 0.00 H new ATOM 1215 N TYR A 115 7.390 -6.159 2.076 1.00 0.00 N ATOM 1216 CA TYR A 115 7.233 -7.602 1.902 1.00 0.00 C ATOM 1217 C TYR A 115 8.582 -8.302 1.764 1.00 0.00 C ATOM 1218 O TYR A 115 8.790 -9.380 2.321 1.00 0.00 O ATOM 1219 CB TYR A 115 6.365 -7.901 0.677 1.00 0.00 C ATOM 1220 CG TYR A 115 4.881 -7.797 0.946 1.00 0.00 C ATOM 1221 CD1 TYR A 115 4.091 -6.889 0.253 1.00 0.00 C ATOM 1222 CD2 TYR A 115 4.269 -8.609 1.894 1.00 0.00 C ATOM 1223 CE1 TYR A 115 2.734 -6.792 0.495 1.00 0.00 C ATOM 1224 CE2 TYR A 115 2.912 -8.518 2.141 1.00 0.00 C ATOM 1225 CZ TYR A 115 2.150 -7.608 1.440 1.00 0.00 C ATOM 1226 OH TYR A 115 0.799 -7.516 1.685 1.00 0.00 O ATOM 0 H TYR A 115 7.075 -5.602 1.282 1.00 0.00 H new ATOM 0 HA TYR A 115 6.742 -7.988 2.795 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.630 -7.210 -0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.591 -8.905 0.318 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.545 -6.248 -0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.863 -9.322 2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.134 -6.081 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.451 -9.157 2.880 1.00 0.00 H new ATOM 0 HH TYR A 115 0.408 -6.827 1.108 1.00 0.00 H new ATOM 1236 N ALA A 116 9.496 -7.690 1.017 1.00 0.00 N ATOM 1237 CA ALA A 116 10.818 -8.266 0.808 1.00 0.00 C ATOM 1238 C ALA A 116 11.553 -8.440 2.130 1.00 0.00 C ATOM 1239 O ALA A 116 12.035 -9.528 2.447 1.00 0.00 O ATOM 1240 CB ALA A 116 11.630 -7.396 -0.141 1.00 0.00 C ATOM 0 H ALA A 116 9.345 -6.797 0.548 1.00 0.00 H new ATOM 0 HA ALA A 116 10.692 -9.251 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.615 -7.839 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.117 -7.327 -1.100 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.740 -6.398 0.284 1.00 0.00 H new ATOM 1246 N CYS A 117 11.630 -7.362 2.900 1.00 0.00 N ATOM 1247 CA CYS A 117 12.298 -7.393 4.194 1.00 0.00 C ATOM 1248 C CYS A 117 11.495 -8.223 5.190 1.00 0.00 C ATOM 1249 O CYS A 117 12.056 -8.835 6.100 1.00 0.00 O ATOM 1250 CB CYS A 117 12.489 -5.973 4.730 1.00 0.00 C ATOM 1251 SG CYS A 117 13.968 -5.140 4.108 1.00 0.00 S ATOM 0 H CYS A 117 11.237 -6.454 2.650 1.00 0.00 H new ATOM 0 HA CYS A 117 13.277 -7.854 4.063 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.614 -5.378 4.470 1.00 0.00 H new ATOM 0 HB3 CYS A 117 12.537 -6.011 5.818 1.00 0.00 H new ATOM 1256 N SER A 118 10.176 -8.232 5.009 1.00 0.00 N ATOM 1257 CA SER A 118 9.277 -8.980 5.886 1.00 0.00 C ATOM 1258 C SER A 118 9.069 -8.239 7.202 1.00 0.00 C ATOM 1259 O SER A 118 9.225 -8.809 8.282 1.00 0.00 O ATOM 1260 CB SER A 118 9.823 -10.387 6.154 1.00 0.00 C ATOM 1261 OG SER A 118 10.628 -10.835 5.078 1.00 0.00 O ATOM 0 H SER A 118 9.704 -7.727 4.259 1.00 0.00 H new ATOM 0 HA SER A 118 8.315 -9.072 5.381 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.408 -10.384 7.074 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.995 -11.079 6.305 1.00 0.00 H new ATOM 0 HG SER A 118 10.965 -11.734 5.274 1.00 0.00 H new ATOM 1267 N LYS A 119 8.714 -6.962 7.102 1.00 0.00 N ATOM 1268 CA LYS A 119 8.482 -6.140 8.284 1.00 0.00 C ATOM 1269 C LYS A 119 8.006 -4.745 7.892 1.00 0.00 C ATOM 1270 O LYS A 119 8.005 -4.388 6.714 1.00 0.00 O ATOM 1271 CB LYS A 119 9.760 -6.040 9.119 1.00 0.00 C ATOM 1272 CG LYS A 119 10.978 -5.602 8.319 1.00 0.00 C ATOM 1273 CD LYS A 119 12.125 -6.595 8.449 1.00 0.00 C ATOM 1274 CE LYS A 119 13.423 -5.901 8.828 1.00 0.00 C ATOM 1275 NZ LYS A 119 14.498 -6.874 9.165 1.00 0.00 N ATOM 0 H LYS A 119 8.581 -6.475 6.216 1.00 0.00 H new ATOM 0 HA LYS A 119 7.703 -6.615 8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 119 9.598 -5.334 9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.964 -7.010 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.705 -5.497 7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.305 -4.621 8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.877 -7.342 9.203 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.257 -7.126 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.751 -5.270 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.248 -5.245 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 15.366 -6.359 9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.196 -7.460 9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.684 -7.484 8.343 1.00 0.00 H new ATOM 1289 N GLU A 120 7.600 -3.961 8.886 1.00 0.00 N ATOM 1290 CA GLU A 120 7.122 -2.605 8.642 1.00 0.00 C ATOM 1291 C GLU A 120 8.283 -1.617 8.602 1.00 0.00 C ATOM 1292 O GLU A 120 9.159 -1.636 9.466 1.00 0.00 O ATOM 1293 CB GLU A 120 6.117 -2.193 9.722 1.00 0.00 C ATOM 1294 CG GLU A 120 6.738 -2.009 11.097 1.00 0.00 C ATOM 1295 CD GLU A 120 7.168 -0.577 11.355 1.00 0.00 C ATOM 1296 OE1 GLU A 120 6.472 0.346 10.883 1.00 0.00 O ATOM 1297 OE2 GLU A 120 8.201 -0.380 12.030 1.00 0.00 O ATOM 0 H GLU A 120 7.593 -4.241 9.867 1.00 0.00 H new ATOM 0 HA GLU A 120 6.626 -2.590 7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.637 -1.261 9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 120 5.334 -2.949 9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.020 -2.312 11.859 1.00 0.00 H new ATOM 0 HG3 GLU A 120 7.602 -2.667 11.193 1.00 0.00 H new ATOM 1304 N VAL A 121 8.284 -0.755 7.590 1.00 0.00 N ATOM 1305 CA VAL A 121 9.338 0.240 7.435 1.00 0.00 C ATOM 1306 C VAL A 121 8.766 1.655 7.447 1.00 0.00 C ATOM 1307 O VAL A 121 7.559 1.848 7.310 1.00 0.00 O ATOM 1308 CB VAL A 121 10.123 0.028 6.127 1.00 0.00 C ATOM 1309 CG1 VAL A 121 11.078 -1.148 6.260 1.00 0.00 C ATOM 1310 CG2 VAL A 121 9.169 -0.179 4.959 1.00 0.00 C ATOM 0 H VAL A 121 7.567 -0.726 6.865 1.00 0.00 H new ATOM 0 HA VAL A 121 10.015 0.117 8.281 1.00 0.00 H new ATOM 0 HB VAL A 121 10.713 0.923 5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.623 -1.281 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.784 -0.954 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.512 -2.053 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.742 -0.327 4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.550 -1.057 5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 121 8.531 0.698 4.850 1.00 0.00 H new ATOM 1320 N PHE A 122 9.643 2.641 7.614 1.00 0.00 N ATOM 1321 CA PHE A 122 9.226 4.038 7.642 1.00 0.00 C ATOM 1322 C PHE A 122 9.967 4.848 6.583 1.00 0.00 C ATOM 1323 O PHE A 122 11.177 4.705 6.411 1.00 0.00 O ATOM 1324 CB PHE A 122 9.476 4.638 9.027 1.00 0.00 C ATOM 1325 CG PHE A 122 10.919 4.609 9.444 1.00 0.00 C ATOM 1326 CD1 PHE A 122 11.497 3.438 9.905 1.00 0.00 C ATOM 1327 CD2 PHE A 122 11.697 5.754 9.374 1.00 0.00 C ATOM 1328 CE1 PHE A 122 12.824 3.408 10.290 1.00 0.00 C ATOM 1329 CE2 PHE A 122 13.025 5.731 9.758 1.00 0.00 C ATOM 1330 CZ PHE A 122 13.588 4.556 10.216 1.00 0.00 C ATOM 0 H PHE A 122 10.646 2.498 7.732 1.00 0.00 H new ATOM 0 HA PHE A 122 8.159 4.078 7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 122 9.125 5.670 9.035 1.00 0.00 H new ATOM 0 HB3 PHE A 122 8.883 4.094 9.762 1.00 0.00 H new ATOM 0 HD1 PHE A 122 10.904 2.538 9.964 1.00 0.00 H new ATOM 0 HD2 PHE A 122 11.261 6.675 9.015 1.00 0.00 H new ATOM 0 HE1 PHE A 122 13.263 2.488 10.648 1.00 0.00 H new ATOM 0 HE2 PHE A 122 13.621 6.630 9.700 1.00 0.00 H new ATOM 0 HZ PHE A 122 14.625 4.535 10.516 1.00 0.00 H new ATOM 1340 N LEU A 123 9.232 5.698 5.874 1.00 0.00 N ATOM 1341 CA LEU A 123 9.819 6.531 4.830 1.00 0.00 C ATOM 1342 C LEU A 123 9.795 8.003 5.229 1.00 0.00 C ATOM 1343 O LEU A 123 8.934 8.435 5.996 1.00 0.00 O ATOM 1344 CB LEU A 123 9.070 6.335 3.510 1.00 0.00 C ATOM 1345 CG LEU A 123 7.544 6.343 3.623 1.00 0.00 C ATOM 1346 CD1 LEU A 123 7.049 7.706 4.082 1.00 0.00 C ATOM 1347 CD2 LEU A 123 6.910 5.964 2.294 1.00 0.00 C ATOM 0 H LEU A 123 8.229 5.828 6.003 1.00 0.00 H new ATOM 0 HA LEU A 123 10.857 6.227 4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.372 7.122 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.381 5.387 3.071 1.00 0.00 H new ATOM 0 HG LEU A 123 7.250 5.603 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 123 5.962 7.692 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 123 7.477 7.939 5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 123 7.354 8.465 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 123 5.825 5.975 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.212 6.680 1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.238 4.965 2.006 1.00 0.00 H new ATOM 1359 N ASP A 124 10.744 8.770 4.700 1.00 0.00 N ATOM 1360 CA ASP A 124 10.831 10.194 5.000 1.00 0.00 C ATOM 1361 C ASP A 124 9.786 10.980 4.214 1.00 0.00 C ATOM 1362 O ASP A 124 9.258 10.499 3.212 1.00 0.00 O ATOM 1363 CB ASP A 124 12.231 10.720 4.677 1.00 0.00 C ATOM 1364 CG ASP A 124 13.304 10.076 5.532 1.00 0.00 C ATOM 1365 OD1 ASP A 124 14.356 10.716 5.745 1.00 0.00 O ATOM 1366 OD2 ASP A 124 13.092 8.934 5.990 1.00 0.00 O ATOM 0 H ASP A 124 11.463 8.429 4.062 1.00 0.00 H new ATOM 0 HA ASP A 124 10.636 10.328 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 124 12.451 10.537 3.625 1.00 0.00 H new ATOM 0 HB3 ASP A 124 12.253 11.800 4.824 1.00 0.00 H new ATOM 1371 N ARG A 125 9.496 12.192 4.675 1.00 0.00 N ATOM 1372 CA ARG A 125 8.516 13.046 4.014 1.00 0.00 C ATOM 1373 C ARG A 125 9.204 14.164 3.236 1.00 0.00 C ATOM 1374 O ARG A 125 8.696 14.629 2.216 1.00 0.00 O ATOM 1375 CB ARG A 125 7.553 13.643 5.042 1.00 0.00 C ATOM 1376 CG ARG A 125 6.414 12.711 5.423 1.00 0.00 C ATOM 1377 CD ARG A 125 5.548 13.310 6.519 1.00 0.00 C ATOM 1378 NE ARG A 125 4.273 12.611 6.655 1.00 0.00 N ATOM 1379 CZ ARG A 125 3.288 12.686 5.763 1.00 0.00 C ATOM 1380 NH1 ARG A 125 3.427 13.426 4.670 1.00 0.00 N ATOM 1381 NH2 ARG A 125 2.159 12.019 5.963 1.00 0.00 N ATOM 0 H ARG A 125 9.925 12.605 5.503 1.00 0.00 H new ATOM 0 HA ARG A 125 7.952 12.432 3.311 1.00 0.00 H new ATOM 0 HB2 ARG A 125 8.111 13.907 5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 125 7.136 14.568 4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 125 5.801 12.505 4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 125 6.820 11.757 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.085 13.271 7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.363 14.362 6.300 1.00 0.00 H new ATOM 0 HE ARG A 125 4.129 12.031 7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.292 13.941 4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 125 2.668 13.479 3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 125 2.045 11.448 6.801 1.00 0.00 H new ATOM 0 HH22 ARG A 125 1.404 12.077 5.279 1.00 0.00 H new ATOM 1395 N LYS A 126 10.364 14.590 3.726 1.00 0.00 N ATOM 1396 CA LYS A 126 11.125 15.653 3.078 1.00 0.00 C ATOM 1397 C LYS A 126 10.335 16.958 3.069 1.00 0.00 C ATOM 1398 O LYS A 126 9.106 16.951 3.010 1.00 0.00 O ATOM 1399 CB LYS A 126 11.488 15.253 1.646 1.00 0.00 C ATOM 1400 CG LYS A 126 12.695 15.995 1.095 1.00 0.00 C ATOM 1401 CD LYS A 126 12.565 16.239 -0.400 1.00 0.00 C ATOM 1402 CE LYS A 126 13.886 16.013 -1.117 1.00 0.00 C ATOM 1403 NZ LYS A 126 14.951 16.931 -0.625 1.00 0.00 N ATOM 0 H LYS A 126 10.798 14.215 4.570 1.00 0.00 H new ATOM 0 HA LYS A 126 12.042 15.807 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 126 11.686 14.181 1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 126 10.631 15.437 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 126 12.804 16.948 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 126 13.599 15.419 1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 126 11.807 15.574 -0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 126 12.224 17.260 -0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 126 14.204 14.980 -0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 126 13.747 16.160 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 15.816 16.791 -1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 14.632 17.916 -0.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 15.150 16.727 0.375 1.00 0.00 H new ATOM 1417 N LEU A 127 11.050 18.077 3.127 1.00 0.00 N ATOM 1418 CA LEU A 127 10.416 19.390 3.127 1.00 0.00 C ATOM 1419 C LEU A 127 9.633 19.614 1.837 1.00 0.00 C ATOM 1420 O LEU A 127 10.029 19.150 0.769 1.00 0.00 O ATOM 1421 CB LEU A 127 11.467 20.488 3.297 1.00 0.00 C ATOM 1422 CG LEU A 127 12.325 20.372 4.558 1.00 0.00 C ATOM 1423 CD1 LEU A 127 13.611 19.616 4.262 1.00 0.00 C ATOM 1424 CD2 LEU A 127 12.635 21.752 5.120 1.00 0.00 C ATOM 0 H LEU A 127 12.069 18.101 3.175 1.00 0.00 H new ATOM 0 HA LEU A 127 9.721 19.431 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 127 12.124 20.479 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 127 10.963 21.454 3.306 1.00 0.00 H new ATOM 0 HG LEU A 127 11.763 19.813 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 127 14.208 19.544 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 127 13.370 18.615 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 127 14.178 20.147 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 127 13.246 21.651 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 127 13.177 22.335 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.704 22.260 5.371 1.00 0.00 H new ATOM 1436 N GLY A 128 8.518 20.331 1.946 1.00 0.00 N ATOM 1437 CA GLY A 128 7.696 20.606 0.782 1.00 0.00 C ATOM 1438 C GLY A 128 6.381 19.851 0.810 1.00 0.00 C ATOM 1439 O GLY A 128 6.067 19.103 -0.116 1.00 0.00 O ATOM 0 H GLY A 128 8.170 20.726 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 128 7.496 21.676 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 128 8.247 20.338 -0.120 1.00 0.00 H new ATOM 1443 N THR A 129 5.611 20.047 1.875 1.00 0.00 N ATOM 1444 CA THR A 129 4.323 19.379 2.020 1.00 0.00 C ATOM 1445 C THR A 129 3.175 20.347 1.754 1.00 0.00 C ATOM 1446 O THR A 129 2.117 19.951 1.265 1.00 0.00 O ATOM 1447 CB THR A 129 4.189 18.784 3.423 1.00 0.00 C ATOM 1448 OG1 THR A 129 5.461 18.444 3.948 1.00 0.00 O ATOM 1449 CG2 THR A 129 3.327 17.541 3.467 1.00 0.00 C ATOM 0 H THR A 129 5.856 20.663 2.650 1.00 0.00 H new ATOM 0 HA THR A 129 4.274 18.575 1.285 1.00 0.00 H new ATOM 0 HB THR A 129 3.710 19.560 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 129 5.354 18.067 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 129 3.274 17.171 4.491 1.00 0.00 H new ATOM 0 HG22 THR A 129 2.324 17.782 3.116 1.00 0.00 H new ATOM 0 HG23 THR A 129 3.762 16.774 2.826 1.00 0.00 H new ATOM 1457 N GLN A 130 3.391 21.617 2.077 1.00 0.00 N ATOM 1458 CA GLN A 130 2.375 22.642 1.872 1.00 0.00 C ATOM 1459 C GLN A 130 1.116 22.328 2.673 1.00 0.00 C ATOM 1460 O GLN A 130 1.208 21.534 3.632 1.00 0.00 O ATOM 1461 CB GLN A 130 2.031 22.760 0.386 1.00 0.00 C ATOM 1462 CG GLN A 130 1.782 24.189 -0.069 1.00 0.00 C ATOM 1463 CD GLN A 130 0.305 24.524 -0.151 1.00 0.00 C ATOM 1464 OE1 GLN A 130 -0.170 25.455 0.500 1.00 0.00 O ATOM 1465 NE2 GLN A 130 -0.429 23.765 -0.956 1.00 0.00 N ATOM 1466 OXT GLN A 130 0.047 22.879 2.335 1.00 0.00 O ATOM 0 H GLN A 130 4.261 21.961 2.482 1.00 0.00 H new ATOM 0 HA GLN A 130 2.779 23.592 2.221 1.00 0.00 H new ATOM 0 HB2 GLN A 130 2.846 22.337 -0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 130 1.144 22.162 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 130 2.269 24.877 0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 130 2.240 24.341 -1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 130 0.007 23.004 -1.477 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -1.429 23.943 -1.054 1.00 0.00 H new TER 1475 GLN A 130 HETATM 1476 ZN ZN A 131 12.949 -4.049 2.448 1.00 0.00 ZN HETATM 1477 ZN ZN A 132 -9.561 -5.710 -2.144 1.00 0.00 ZN HETATM 1478 ZN ZN A 133 1.626 -1.097 -7.379 1.00 0.00 ZN