USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ -174:sc= 0.183 (180deg=0) USER MOD Set 1.2: A 29 ASN : amide:sc= -4.35! C(o=-4.2!,f=-7.7!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -2.18! USER MOD Set 2.2: A 22 LYS NZ :NH3+ -111:sc= 0.0779 (180deg=0) USER MOD Single : A 1 THR N :NH3+ 136:sc= -0.0399 (180deg=-1.07) USER MOD Single : A 1 THR OG1 : rot 180:sc= -0.0668 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -170:sc= -0.9! USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.0395 (180deg=-0.75) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 101:sc= 0.337 USER MOD Single : A 17 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.7!) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.0614 F(o=-2.8,f=-0.061) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -136:sc= -0.0843 (180deg=-2.95!) USER MOD Single : A 33 HIS : no HD1:sc= -8.37! C(o=-8.4!,f=-13!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -116:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ -152:sc= -0.299 (180deg=-1.19) USER MOD Single : A 43 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 110:sc= -2.98 USER MOD Single : A 50 TYR OH : rot -146:sc= 0.198 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 60 THR OG1 : rot 86:sc= 1.08 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 71 SER OG : rot -170:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -94:sc= 0.196 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 23.463 -4.474 -9.303 1.00 0.00 N ATOM 2 CA THR A 1 23.401 -3.994 -7.892 1.00 0.00 C ATOM 3 C THR A 1 21.992 -4.198 -7.327 1.00 0.00 C ATOM 4 O THR A 1 21.123 -4.738 -7.981 1.00 0.00 O ATOM 5 CB THR A 1 23.740 -2.504 -7.964 1.00 0.00 C ATOM 6 OG1 THR A 1 23.824 -1.978 -6.647 1.00 0.00 O ATOM 7 CG2 THR A 1 22.648 -1.766 -8.742 1.00 0.00 C ATOM 0 H1 THR A 1 23.980 -3.782 -9.883 1.00 0.00 H new ATOM 0 H2 THR A 1 23.954 -5.390 -9.337 1.00 0.00 H new ATOM 0 H3 THR A 1 22.498 -4.585 -9.675 1.00 0.00 H new ATOM 0 HA THR A 1 24.087 -4.536 -7.240 1.00 0.00 H new ATOM 0 HB THR A 1 24.695 -2.371 -8.472 1.00 0.00 H new ATOM 0 HG1 THR A 1 24.043 -1.024 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 1 22.891 -0.705 -8.792 1.00 0.00 H new ATOM 0 HG22 THR A 1 22.583 -2.172 -9.752 1.00 0.00 H new ATOM 0 HG23 THR A 1 21.691 -1.895 -8.237 1.00 0.00 H new ATOM 17 N LYS A 2 21.761 -3.768 -6.118 1.00 0.00 N ATOM 18 CA LYS A 2 20.410 -3.934 -5.512 1.00 0.00 C ATOM 19 C LYS A 2 19.909 -2.594 -4.971 1.00 0.00 C ATOM 20 O LYS A 2 19.933 -2.342 -3.783 1.00 0.00 O ATOM 21 CB LYS A 2 20.606 -4.934 -4.371 1.00 0.00 C ATOM 22 CG LYS A 2 21.587 -4.359 -3.348 1.00 0.00 C ATOM 23 CD LYS A 2 20.854 -4.084 -2.034 1.00 0.00 C ATOM 24 CE LYS A 2 21.512 -2.903 -1.317 1.00 0.00 C ATOM 25 NZ LYS A 2 20.915 -2.902 0.046 1.00 0.00 N ATOM 0 H LYS A 2 22.450 -3.308 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 2 19.672 -4.282 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 2 19.650 -5.148 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 2 20.985 -5.878 -4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 2 22.405 -5.059 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.028 -3.438 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.805 -3.864 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.881 -4.969 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.595 -3.020 -1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.313 -1.965 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.317 -2.119 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.884 -2.782 -0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.126 -3.804 0.518 1.00 0.00 H new ATOM 39 N ALA A 3 19.459 -1.729 -5.838 1.00 0.00 N ATOM 40 CA ALA A 3 18.958 -0.402 -5.378 1.00 0.00 C ATOM 41 C ALA A 3 17.577 -0.549 -4.736 1.00 0.00 C ATOM 42 O ALA A 3 16.652 -1.054 -5.341 1.00 0.00 O ATOM 43 CB ALA A 3 18.874 0.451 -6.645 1.00 0.00 C ATOM 0 H ALA A 3 19.416 -1.883 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 3 19.609 0.046 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.512 1.447 -6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.863 0.529 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.188 -0.015 -7.352 1.00 0.00 H new ATOM 49 N SER A 4 17.429 -0.109 -3.516 1.00 0.00 N ATOM 50 CA SER A 4 16.105 -0.222 -2.839 1.00 0.00 C ATOM 51 C SER A 4 15.037 0.512 -3.653 1.00 0.00 C ATOM 52 O SER A 4 15.189 0.729 -4.838 1.00 0.00 O ATOM 53 CB SER A 4 16.300 0.444 -1.475 1.00 0.00 C ATOM 54 OG SER A 4 15.632 1.699 -1.460 1.00 0.00 O ATOM 0 H SER A 4 18.166 0.323 -2.959 1.00 0.00 H new ATOM 0 HA SER A 4 15.774 -1.256 -2.740 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.908 -0.198 -0.686 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.362 0.583 -1.275 1.00 0.00 H new ATOM 0 HG SER A 4 15.884 2.194 -0.653 1.00 0.00 H new ATOM 60 N CYS A 5 13.958 0.898 -3.028 1.00 0.00 N ATOM 61 CA CYS A 5 12.885 1.621 -3.771 1.00 0.00 C ATOM 62 C CYS A 5 12.722 3.038 -3.214 1.00 0.00 C ATOM 63 O CYS A 5 13.546 3.515 -2.460 1.00 0.00 O ATOM 64 CB CYS A 5 11.616 0.802 -3.542 1.00 0.00 C ATOM 65 SG CYS A 5 11.963 -0.948 -3.843 1.00 0.00 S ATOM 0 H CYS A 5 13.773 0.745 -2.037 1.00 0.00 H new ATOM 0 HA CYS A 5 13.114 1.721 -4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.259 0.942 -2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.824 1.146 -4.207 1.00 0.00 H new ATOM 70 N LYS A 6 11.669 3.714 -3.583 1.00 0.00 N ATOM 71 CA LYS A 6 11.460 5.102 -3.075 1.00 0.00 C ATOM 72 C LYS A 6 9.984 5.327 -2.739 1.00 0.00 C ATOM 73 O LYS A 6 9.144 5.369 -3.616 1.00 0.00 O ATOM 74 CB LYS A 6 11.891 6.011 -4.226 1.00 0.00 C ATOM 75 CG LYS A 6 13.357 6.404 -4.042 1.00 0.00 C ATOM 76 CD LYS A 6 13.491 7.312 -2.819 1.00 0.00 C ATOM 77 CE LYS A 6 14.906 7.890 -2.764 1.00 0.00 C ATOM 78 NZ LYS A 6 15.793 6.712 -2.558 1.00 0.00 N ATOM 0 H LYS A 6 10.945 3.368 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 6 12.026 5.298 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.757 5.498 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.265 6.903 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.971 5.512 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.721 6.918 -4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.759 8.118 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.282 6.748 -1.910 1.00 0.00 H new ATOM 0 HE2 LYS A 6 15.154 8.415 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.008 8.608 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.708 7.028 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.347 6.055 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.945 6.229 -3.466 1.00 0.00 H new ATOM 92 N LEU A 7 9.667 5.473 -1.477 1.00 0.00 N ATOM 93 CA LEU A 7 8.244 5.697 -1.070 1.00 0.00 C ATOM 94 C LEU A 7 7.524 6.586 -2.094 1.00 0.00 C ATOM 95 O LEU A 7 7.633 7.795 -2.046 1.00 0.00 O ATOM 96 CB LEU A 7 8.324 6.405 0.286 1.00 0.00 C ATOM 97 CG LEU A 7 9.417 7.476 0.247 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.876 8.781 0.833 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.618 7.008 1.072 1.00 0.00 C ATOM 0 H LEU A 7 10.335 5.447 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 7 7.685 4.763 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.363 6.861 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.539 5.681 1.072 1.00 0.00 H new ATOM 0 HG LEU A 7 9.725 7.642 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.655 9.543 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.020 9.116 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.567 8.616 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.397 7.770 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.308 6.842 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.005 6.078 0.656 1.00 0.00 H new ATOM 111 N PRO A 8 6.813 5.956 -2.999 1.00 0.00 N ATOM 112 CA PRO A 8 6.076 6.699 -4.051 1.00 0.00 C ATOM 113 C PRO A 8 4.911 7.490 -3.446 1.00 0.00 C ATOM 114 O PRO A 8 4.531 8.530 -3.947 1.00 0.00 O ATOM 115 CB PRO A 8 5.558 5.573 -4.953 1.00 0.00 C ATOM 116 CG PRO A 8 6.014 4.222 -4.371 1.00 0.00 C ATOM 117 CD PRO A 8 6.708 4.476 -3.027 1.00 0.00 C ATOM 0 HA PRO A 8 6.689 7.432 -4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.470 5.609 -5.015 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.940 5.695 -5.967 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.158 3.561 -4.236 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.696 3.724 -5.060 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.124 4.094 -2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.686 3.998 -2.978 1.00 0.00 H new ATOM 125 N VAL A 9 4.334 7.003 -2.382 1.00 0.00 N ATOM 126 CA VAL A 9 3.186 7.727 -1.760 1.00 0.00 C ATOM 127 C VAL A 9 3.602 8.373 -0.435 1.00 0.00 C ATOM 128 O VAL A 9 3.099 9.412 -0.059 1.00 0.00 O ATOM 129 CB VAL A 9 2.129 6.650 -1.522 1.00 0.00 C ATOM 130 CG1 VAL A 9 0.840 7.301 -1.019 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.848 5.916 -2.835 1.00 0.00 C ATOM 0 H VAL A 9 4.606 6.137 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 9 2.820 8.534 -2.395 1.00 0.00 H new ATOM 0 HB VAL A 9 2.493 5.942 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.086 6.532 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.038 7.827 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.475 8.009 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.094 5.147 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.484 6.626 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.766 5.452 -3.196 1.00 0.00 H new ATOM 141 N LYS A 10 4.518 7.769 0.275 1.00 0.00 N ATOM 142 CA LYS A 10 4.969 8.350 1.578 1.00 0.00 C ATOM 143 C LYS A 10 3.881 8.166 2.648 1.00 0.00 C ATOM 144 O LYS A 10 3.981 8.686 3.742 1.00 0.00 O ATOM 145 CB LYS A 10 5.251 9.839 1.277 1.00 0.00 C ATOM 146 CG LYS A 10 4.259 10.757 2.008 1.00 0.00 C ATOM 147 CD LYS A 10 4.532 12.214 1.629 1.00 0.00 C ATOM 148 CE LYS A 10 3.968 12.496 0.236 1.00 0.00 C ATOM 149 NZ LYS A 10 3.058 13.661 0.419 1.00 0.00 N ATOM 0 H LYS A 10 4.975 6.897 0.010 1.00 0.00 H new ATOM 0 HA LYS A 10 5.858 7.860 1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.269 10.086 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.186 10.013 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.236 10.488 1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.355 10.627 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.075 12.882 2.359 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.604 12.410 1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.763 12.724 -0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.430 11.632 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.631 13.915 -0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.307 13.412 1.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.599 14.470 0.785 1.00 0.00 H new ATOM 163 N LYS A 11 2.846 7.432 2.343 1.00 0.00 N ATOM 164 CA LYS A 11 1.762 7.221 3.348 1.00 0.00 C ATOM 165 C LYS A 11 0.936 5.984 2.990 1.00 0.00 C ATOM 166 O LYS A 11 -0.226 5.881 3.328 1.00 0.00 O ATOM 167 CB LYS A 11 0.898 8.482 3.269 1.00 0.00 C ATOM 168 CG LYS A 11 1.164 9.361 4.492 1.00 0.00 C ATOM 169 CD LYS A 11 -0.087 10.179 4.816 1.00 0.00 C ATOM 170 CE LYS A 11 -0.150 10.444 6.322 1.00 0.00 C ATOM 171 NZ LYS A 11 -1.481 9.930 6.748 1.00 0.00 N ATOM 0 H LYS A 11 2.703 6.970 1.445 1.00 0.00 H new ATOM 0 HA LYS A 11 2.158 7.057 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.123 9.033 2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.157 8.211 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.437 8.741 5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.006 10.026 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.068 11.123 4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.979 9.642 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.657 9.933 6.847 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.049 11.507 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.599 10.076 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.230 10.440 6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.546 8.914 6.534 1.00 0.00 H new ATOM 185 N ALA A 12 1.529 5.046 2.306 1.00 0.00 N ATOM 186 CA ALA A 12 0.778 3.814 1.922 1.00 0.00 C ATOM 187 C ALA A 12 0.935 2.731 2.995 1.00 0.00 C ATOM 188 O ALA A 12 2.013 2.497 3.498 1.00 0.00 O ATOM 189 CB ALA A 12 1.411 3.361 0.607 1.00 0.00 C ATOM 0 H ALA A 12 2.500 5.077 1.996 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.291 4.001 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.913 2.457 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.302 4.148 -0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.470 3.155 0.765 1.00 0.00 H new ATOM 195 N THR A 13 -0.131 2.061 3.339 1.00 0.00 N ATOM 196 CA THR A 13 -0.040 0.984 4.369 1.00 0.00 C ATOM 197 C THR A 13 -0.103 -0.386 3.689 1.00 0.00 C ATOM 198 O THR A 13 -1.150 -0.832 3.265 1.00 0.00 O ATOM 199 CB THR A 13 -1.255 1.194 5.272 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.322 2.558 5.662 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.128 0.312 6.516 1.00 0.00 C ATOM 0 H THR A 13 -1.062 2.212 2.952 1.00 0.00 H new ATOM 0 HA THR A 13 0.892 1.022 4.933 1.00 0.00 H new ATOM 0 HB THR A 13 -2.162 0.925 4.730 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.102 2.695 6.240 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.995 0.463 7.159 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.076 -0.735 6.216 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.222 0.579 7.060 1.00 0.00 H new ATOM 209 N VAL A 14 1.014 -1.052 3.572 1.00 0.00 N ATOM 210 CA VAL A 14 1.019 -2.388 2.908 1.00 0.00 C ATOM 211 C VAL A 14 1.142 -3.505 3.947 1.00 0.00 C ATOM 212 O VAL A 14 1.187 -3.261 5.136 1.00 0.00 O ATOM 213 CB VAL A 14 2.246 -2.364 1.999 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.263 -1.058 1.201 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.515 -2.454 2.852 1.00 0.00 C ATOM 0 H VAL A 14 1.922 -0.730 3.907 1.00 0.00 H new ATOM 0 HA VAL A 14 0.099 -2.578 2.355 1.00 0.00 H new ATOM 0 HB VAL A 14 2.207 -3.210 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.138 -1.040 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.360 -0.990 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.303 -0.212 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.391 -2.437 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.554 -1.607 3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.504 -3.382 3.423 1.00 0.00 H new ATOM 225 N VAL A 15 1.195 -4.732 3.503 1.00 0.00 N ATOM 226 CA VAL A 15 1.313 -5.870 4.461 1.00 0.00 C ATOM 227 C VAL A 15 2.551 -6.711 4.136 1.00 0.00 C ATOM 228 O VAL A 15 2.677 -7.258 3.058 1.00 0.00 O ATOM 229 CB VAL A 15 0.039 -6.690 4.256 1.00 0.00 C ATOM 230 CG1 VAL A 15 0.078 -7.929 5.153 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.179 -5.837 4.621 1.00 0.00 C ATOM 0 H VAL A 15 1.162 -4.996 2.518 1.00 0.00 H new ATOM 0 HA VAL A 15 1.422 -5.533 5.492 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.030 -6.999 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.831 -8.513 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.946 -8.537 4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.147 -7.621 6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.088 -6.420 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.108 -5.529 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.209 -4.953 3.983 1.00 0.00 H new ATOM 241 N TYR A 16 3.466 -6.816 5.060 1.00 0.00 N ATOM 242 CA TYR A 16 4.695 -7.621 4.807 1.00 0.00 C ATOM 243 C TYR A 16 4.434 -9.100 5.106 1.00 0.00 C ATOM 244 O TYR A 16 5.206 -9.754 5.778 1.00 0.00 O ATOM 245 CB TYR A 16 5.742 -7.055 5.766 1.00 0.00 C ATOM 246 CG TYR A 16 7.111 -7.165 5.141 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.411 -8.243 4.297 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.081 -6.191 5.403 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.680 -8.345 3.716 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.351 -6.294 4.822 1.00 0.00 C ATOM 251 CZ TYR A 16 9.651 -7.371 3.979 1.00 0.00 C ATOM 252 OH TYR A 16 10.903 -7.471 3.406 1.00 0.00 O ATOM 0 H TYR A 16 3.416 -6.379 5.980 1.00 0.00 H new ATOM 0 HA TYR A 16 5.019 -7.563 3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.517 -6.013 5.993 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.717 -7.599 6.710 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.663 -8.995 4.095 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.850 -5.360 6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.910 -9.175 3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.100 -5.542 5.024 1.00 0.00 H new ATOM 0 HH TYR A 16 10.961 -6.864 2.639 1.00 0.00 H new ATOM 262 N GLN A 17 3.352 -9.628 4.604 1.00 0.00 N ATOM 263 CA GLN A 17 3.032 -11.066 4.845 1.00 0.00 C ATOM 264 C GLN A 17 2.910 -11.358 6.344 1.00 0.00 C ATOM 265 O GLN A 17 3.376 -12.372 6.823 1.00 0.00 O ATOM 266 CB GLN A 17 4.204 -11.838 4.245 1.00 0.00 C ATOM 267 CG GLN A 17 4.359 -11.468 2.769 1.00 0.00 C ATOM 268 CD GLN A 17 3.593 -12.473 1.907 1.00 0.00 C ATOM 269 OE1 GLN A 17 2.764 -13.209 2.406 1.00 0.00 O ATOM 270 NE2 GLN A 17 3.835 -12.536 0.627 1.00 0.00 N ATOM 0 H GLN A 17 2.672 -9.124 4.035 1.00 0.00 H new ATOM 0 HA GLN A 17 2.079 -11.348 4.397 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.121 -11.606 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.036 -12.910 4.346 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.981 -10.461 2.594 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.413 -11.465 2.493 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.531 -11.918 0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.329 -13.203 0.044 1.00 0.00 H new ATOM 279 N GLY A 18 2.281 -10.489 7.088 1.00 0.00 N ATOM 280 CA GLY A 18 2.129 -10.745 8.549 1.00 0.00 C ATOM 281 C GLY A 18 2.281 -9.440 9.335 1.00 0.00 C ATOM 282 O GLY A 18 1.948 -9.369 10.501 1.00 0.00 O ATOM 0 H GLY A 18 1.869 -9.619 6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.152 -11.186 8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.877 -11.466 8.879 1.00 0.00 H new ATOM 286 N GLU A 19 2.785 -8.407 8.716 1.00 0.00 N ATOM 287 CA GLU A 19 2.955 -7.119 9.449 1.00 0.00 C ATOM 288 C GLU A 19 2.403 -5.952 8.626 1.00 0.00 C ATOM 289 O GLU A 19 2.851 -5.687 7.529 1.00 0.00 O ATOM 290 CB GLU A 19 4.464 -6.969 9.641 1.00 0.00 C ATOM 291 CG GLU A 19 5.008 -8.191 10.383 1.00 0.00 C ATOM 292 CD GLU A 19 6.099 -8.855 9.541 1.00 0.00 C ATOM 293 OE1 GLU A 19 5.755 -9.499 8.563 1.00 0.00 O ATOM 294 OE2 GLU A 19 7.259 -8.708 9.888 1.00 0.00 O ATOM 0 H GLU A 19 3.085 -8.398 7.741 1.00 0.00 H new ATOM 0 HA GLU A 19 2.417 -7.116 10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.956 -6.869 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.681 -6.062 10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.412 -7.892 11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.203 -8.899 10.578 1.00 0.00 H new ATOM 301 N ARG A 20 1.438 -5.250 9.150 1.00 0.00 N ATOM 302 CA ARG A 20 0.863 -4.096 8.403 1.00 0.00 C ATOM 303 C ARG A 20 1.515 -2.793 8.872 1.00 0.00 C ATOM 304 O ARG A 20 1.587 -2.515 10.053 1.00 0.00 O ATOM 305 CB ARG A 20 -0.628 -4.105 8.745 1.00 0.00 C ATOM 306 CG ARG A 20 -1.209 -5.494 8.470 1.00 0.00 C ATOM 307 CD ARG A 20 -2.535 -5.650 9.220 1.00 0.00 C ATOM 308 NE ARG A 20 -2.926 -7.073 9.019 1.00 0.00 N ATOM 309 CZ ARG A 20 -3.258 -7.811 10.045 1.00 0.00 C ATOM 310 NH1 ARG A 20 -2.485 -7.851 11.095 1.00 0.00 N ATOM 311 NH2 ARG A 20 -4.360 -8.508 10.018 1.00 0.00 N ATOM 0 H ARG A 20 1.022 -5.425 10.065 1.00 0.00 H new ATOM 0 HA ARG A 20 1.033 -4.170 7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.773 -3.840 9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.152 -3.356 8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.366 -5.629 7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.506 -6.264 8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.419 -5.418 10.279 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.293 -4.973 8.826 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.935 -7.472 8.080 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.623 -7.307 11.114 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.743 -8.427 11.897 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.963 -8.477 9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.619 -9.084 10.819 1.00 0.00 H new ATOM 325 N VAL A 21 1.996 -1.993 7.961 1.00 0.00 N ATOM 326 CA VAL A 21 2.646 -0.712 8.365 1.00 0.00 C ATOM 327 C VAL A 21 2.645 0.274 7.195 1.00 0.00 C ATOM 328 O VAL A 21 2.314 -0.073 6.079 1.00 0.00 O ATOM 329 CB VAL A 21 4.078 -1.091 8.749 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.083 -1.718 10.145 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.634 -2.099 7.739 1.00 0.00 C ATOM 0 H VAL A 21 1.968 -2.169 6.957 1.00 0.00 H new ATOM 0 HA VAL A 21 2.122 -0.227 9.189 1.00 0.00 H new ATOM 0 HB VAL A 21 4.700 -0.196 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.103 -1.988 10.419 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.691 -1.002 10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.459 -2.611 10.145 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.654 -2.366 8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.012 -2.994 7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.633 -1.655 6.744 1.00 0.00 H new ATOM 341 N LYS A 22 3.010 1.502 7.442 1.00 0.00 N ATOM 342 CA LYS A 22 3.026 2.508 6.343 1.00 0.00 C ATOM 343 C LYS A 22 4.438 2.654 5.772 1.00 0.00 C ATOM 344 O LYS A 22 5.388 2.898 6.491 1.00 0.00 O ATOM 345 CB LYS A 22 2.572 3.814 6.996 1.00 0.00 C ATOM 346 CG LYS A 22 1.046 3.848 7.070 1.00 0.00 C ATOM 347 CD LYS A 22 0.507 4.823 6.022 1.00 0.00 C ATOM 348 CE LYS A 22 -0.224 5.971 6.720 1.00 0.00 C ATOM 349 NZ LYS A 22 -1.660 5.577 6.706 1.00 0.00 N ATOM 0 H LYS A 22 3.297 1.852 8.356 1.00 0.00 H new ATOM 0 HA LYS A 22 2.381 2.220 5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.996 3.899 7.996 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.937 4.665 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.640 2.851 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.726 4.154 8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.326 5.213 5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.171 4.306 5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.138 6.108 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.068 6.914 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.186 6.204 6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.747 4.594 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.051 5.658 7.666 1.00 0.00 H new ATOM 363 N ILE A 23 4.582 2.509 4.484 1.00 0.00 N ATOM 364 CA ILE A 23 5.929 2.642 3.860 1.00 0.00 C ATOM 365 C ILE A 23 6.565 3.975 4.261 1.00 0.00 C ATOM 366 O ILE A 23 7.772 4.110 4.304 1.00 0.00 O ATOM 367 CB ILE A 23 5.668 2.600 2.355 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.993 2.743 1.601 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.735 3.748 1.966 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.731 2.679 0.094 1.00 0.00 C ATOM 0 H ILE A 23 3.823 2.304 3.835 1.00 0.00 H new ATOM 0 HA ILE A 23 6.615 1.857 4.177 1.00 0.00 H new ATOM 0 HB ILE A 23 5.203 1.649 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.470 3.689 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.679 1.949 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.549 3.718 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.791 3.647 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.200 4.699 2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.674 2.781 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.272 1.722 -0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.060 3.489 -0.193 1.00 0.00 H new ATOM 382 N GLN A 24 5.762 4.961 4.556 1.00 0.00 N ATOM 383 CA GLN A 24 6.324 6.283 4.953 1.00 0.00 C ATOM 384 C GLN A 24 7.375 6.100 6.054 1.00 0.00 C ATOM 385 O GLN A 24 8.309 6.869 6.170 1.00 0.00 O ATOM 386 CB GLN A 24 5.125 7.085 5.470 1.00 0.00 C ATOM 387 CG GLN A 24 4.776 6.647 6.895 1.00 0.00 C ATOM 388 CD GLN A 24 3.666 7.545 7.445 1.00 0.00 C ATOM 389 OE1 GLN A 24 2.469 7.054 7.611 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 3.892 8.705 7.727 1.00 0.00 N flip ATOM 0 H GLN A 24 4.743 4.908 4.539 1.00 0.00 H new ATOM 0 HA GLN A 24 6.821 6.789 4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.356 8.150 5.455 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.267 6.935 4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.452 5.606 6.898 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.658 6.708 7.532 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.828 9.088 7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.146 9.295 8.094 1.00 0.00 H new ATOM 399 N GLU A 25 7.229 5.085 6.864 1.00 0.00 N ATOM 400 CA GLU A 25 8.217 4.851 7.956 1.00 0.00 C ATOM 401 C GLU A 25 8.921 3.506 7.752 1.00 0.00 C ATOM 402 O GLU A 25 10.132 3.432 7.688 1.00 0.00 O ATOM 403 CB GLU A 25 7.390 4.835 9.241 1.00 0.00 C ATOM 404 CG GLU A 25 6.889 6.248 9.546 1.00 0.00 C ATOM 405 CD GLU A 25 7.562 6.764 10.820 1.00 0.00 C ATOM 406 OE1 GLU A 25 8.696 7.205 10.729 1.00 0.00 O ATOM 407 OE2 GLU A 25 6.933 6.709 11.863 1.00 0.00 O ATOM 0 H GLU A 25 6.468 4.408 6.816 1.00 0.00 H new ATOM 0 HA GLU A 25 8.994 5.615 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.546 4.154 9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.994 4.466 10.070 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.110 6.912 8.710 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.806 6.242 9.671 1.00 0.00 H new ATOM 414 N LYS A 26 8.172 2.443 7.649 1.00 0.00 N ATOM 415 CA LYS A 26 8.798 1.104 7.449 1.00 0.00 C ATOM 416 C LYS A 26 9.921 1.195 6.412 1.00 0.00 C ATOM 417 O LYS A 26 10.884 0.456 6.459 1.00 0.00 O ATOM 418 CB LYS A 26 7.668 0.211 6.939 1.00 0.00 C ATOM 419 CG LYS A 26 8.152 -1.238 6.871 1.00 0.00 C ATOM 420 CD LYS A 26 8.070 -1.868 8.263 1.00 0.00 C ATOM 421 CE LYS A 26 9.456 -2.362 8.684 1.00 0.00 C ATOM 422 NZ LYS A 26 9.321 -2.706 10.127 1.00 0.00 N ATOM 0 H LYS A 26 7.153 2.443 7.695 1.00 0.00 H new ATOM 0 HA LYS A 26 9.243 0.715 8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.805 0.286 7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.344 0.544 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.542 -1.804 6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.178 -1.273 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.699 -1.138 8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.363 -2.698 8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.760 -3.229 8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.213 -1.592 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.233 -3.053 10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.037 -1.860 10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.599 -3.446 10.241 1.00 0.00 H new ATOM 436 N PHE A 27 9.806 2.098 5.476 1.00 0.00 N ATOM 437 CA PHE A 27 10.868 2.237 4.438 1.00 0.00 C ATOM 438 C PHE A 27 11.119 3.717 4.135 1.00 0.00 C ATOM 439 O PHE A 27 11.240 4.114 2.993 1.00 0.00 O ATOM 440 CB PHE A 27 10.311 1.526 3.205 1.00 0.00 C ATOM 441 CG PHE A 27 10.151 0.055 3.503 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.259 -0.702 3.901 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.895 -0.552 3.386 1.00 0.00 C ATOM 444 CE1 PHE A 27 11.112 -2.066 4.181 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.747 -1.915 3.665 1.00 0.00 C ATOM 446 CZ PHE A 27 9.856 -2.673 4.063 1.00 0.00 C ATOM 0 H PHE A 27 9.023 2.745 5.385 1.00 0.00 H new ATOM 0 HA PHE A 27 11.819 1.812 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.350 1.958 2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.982 1.666 2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.228 -0.234 3.992 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.040 0.032 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.967 -2.650 4.488 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.778 -2.383 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.742 -3.725 4.279 1.00 0.00 H new ATOM 456 N LYS A 28 11.195 4.536 5.148 1.00 0.00 N ATOM 457 CA LYS A 28 11.433 5.990 4.913 1.00 0.00 C ATOM 458 C LYS A 28 12.656 6.188 4.010 1.00 0.00 C ATOM 459 O LYS A 28 12.762 7.170 3.301 1.00 0.00 O ATOM 460 CB LYS A 28 11.670 6.583 6.301 1.00 0.00 C ATOM 461 CG LYS A 28 12.808 5.835 6.991 1.00 0.00 C ATOM 462 CD LYS A 28 14.141 6.313 6.422 1.00 0.00 C ATOM 463 CE LYS A 28 15.030 6.827 7.557 1.00 0.00 C ATOM 464 NZ LYS A 28 15.245 8.271 7.257 1.00 0.00 N ATOM 0 H LYS A 28 11.103 4.263 6.126 1.00 0.00 H new ATOM 0 HA LYS A 28 10.595 6.473 4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.915 7.642 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.761 6.512 6.898 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.775 6.010 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.698 4.761 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.638 5.496 5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.973 7.104 5.691 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.549 6.693 8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.976 6.287 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.927 8.668 7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.616 8.373 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.342 8.780 7.336 1.00 0.00 H new ATOM 478 N ASN A 29 13.575 5.260 4.021 1.00 0.00 N ATOM 479 CA ASN A 29 14.781 5.395 3.152 1.00 0.00 C ATOM 480 C ASN A 29 14.635 4.501 1.920 1.00 0.00 C ATOM 481 O ASN A 29 15.606 4.012 1.375 1.00 0.00 O ATOM 482 CB ASN A 29 15.955 4.926 4.016 1.00 0.00 C ATOM 483 CG ASN A 29 16.548 6.119 4.768 1.00 0.00 C ATOM 484 OD1 ASN A 29 16.175 7.250 4.528 1.00 0.00 O ATOM 485 ND2 ASN A 29 17.463 5.912 5.675 1.00 0.00 N ATOM 0 H ASN A 29 13.544 4.416 4.593 1.00 0.00 H new ATOM 0 HA ASN A 29 14.923 6.416 2.797 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.619 4.168 4.723 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.718 4.462 3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.865 6.700 6.183 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.776 4.962 5.876 1.00 0.00 H new ATOM 492 N GLY A 30 13.428 4.279 1.480 1.00 0.00 N ATOM 493 CA GLY A 30 13.217 3.414 0.288 1.00 0.00 C ATOM 494 C GLY A 30 12.995 1.970 0.742 1.00 0.00 C ATOM 495 O GLY A 30 13.289 1.611 1.866 1.00 0.00 O ATOM 0 H GLY A 30 12.578 4.660 1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.356 3.764 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.081 3.470 -0.374 1.00 0.00 H new ATOM 499 N MET A 31 12.480 1.138 -0.119 1.00 0.00 N ATOM 500 CA MET A 31 12.242 -0.282 0.266 1.00 0.00 C ATOM 501 C MET A 31 13.370 -1.169 -0.272 1.00 0.00 C ATOM 502 O MET A 31 13.983 -0.866 -1.275 1.00 0.00 O ATOM 503 CB MET A 31 10.911 -0.655 -0.389 1.00 0.00 C ATOM 504 CG MET A 31 9.834 0.347 0.029 1.00 0.00 C ATOM 505 SD MET A 31 8.310 -0.542 0.432 1.00 0.00 S ATOM 506 CE MET A 31 7.754 -0.826 -1.267 1.00 0.00 C ATOM 0 H MET A 31 12.213 1.379 -1.073 1.00 0.00 H new ATOM 0 HA MET A 31 12.215 -0.418 1.347 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.017 -0.659 -1.474 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.619 -1.663 -0.094 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.172 0.922 0.891 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.651 1.058 -0.776 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.687 -0.616 -1.340 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.300 -0.169 -1.943 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.939 -1.864 -1.542 1.00 0.00 H new ATOM 516 N LEU A 32 13.646 -2.261 0.387 1.00 0.00 N ATOM 517 CA LEU A 32 14.734 -3.164 -0.089 1.00 0.00 C ATOM 518 C LEU A 32 14.355 -3.790 -1.434 1.00 0.00 C ATOM 519 O LEU A 32 13.195 -3.917 -1.766 1.00 0.00 O ATOM 520 CB LEU A 32 14.855 -4.238 0.992 1.00 0.00 C ATOM 521 CG LEU A 32 15.090 -3.570 2.348 1.00 0.00 C ATOM 522 CD1 LEU A 32 13.981 -3.977 3.319 1.00 0.00 C ATOM 523 CD2 LEU A 32 16.445 -4.014 2.906 1.00 0.00 C ATOM 0 H LEU A 32 13.166 -2.567 1.233 1.00 0.00 H new ATOM 0 HA LEU A 32 15.674 -2.634 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.948 -4.841 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.679 -4.913 0.759 1.00 0.00 H new ATOM 0 HG LEU A 32 15.083 -2.487 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.150 -3.500 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.016 -3.661 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.986 -5.060 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.614 -3.539 3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.451 -5.097 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.236 -3.723 2.215 1.00 0.00 H new ATOM 535 N HIS A 33 15.328 -4.179 -2.213 1.00 0.00 N ATOM 536 CA HIS A 33 15.024 -4.793 -3.539 1.00 0.00 C ATOM 537 C HIS A 33 14.351 -6.157 -3.355 1.00 0.00 C ATOM 538 O HIS A 33 14.754 -6.954 -2.531 1.00 0.00 O ATOM 539 CB HIS A 33 16.382 -4.958 -4.221 1.00 0.00 C ATOM 540 CG HIS A 33 16.181 -5.202 -5.692 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.383 -6.230 -6.168 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.669 -4.560 -6.804 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.414 -6.178 -7.513 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.184 -5.179 -7.952 1.00 0.00 N ATOM 0 H HIS A 33 16.320 -4.099 -1.989 1.00 0.00 H new ATOM 0 HA HIS A 33 14.341 -4.179 -4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.987 -4.064 -4.070 1.00 0.00 H new ATOM 0 HB3 HIS A 33 16.926 -5.791 -3.775 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.329 -3.705 -6.790 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.881 -6.861 -8.158 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.375 -4.924 -8.921 1.00 0.00 H new ATOM 552 N GLY A 34 13.331 -6.434 -4.122 1.00 0.00 N ATOM 553 CA GLY A 34 12.636 -7.749 -3.997 1.00 0.00 C ATOM 554 C GLY A 34 11.609 -7.688 -2.864 1.00 0.00 C ATOM 555 O GLY A 34 10.792 -8.574 -2.709 1.00 0.00 O ATOM 0 H GLY A 34 12.949 -5.807 -4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.141 -8.000 -4.935 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.363 -8.537 -3.799 1.00 0.00 H new ATOM 559 N ASP A 35 11.642 -6.655 -2.069 1.00 0.00 N ATOM 560 CA ASP A 35 10.664 -6.548 -0.948 1.00 0.00 C ATOM 561 C ASP A 35 9.245 -6.820 -1.455 1.00 0.00 C ATOM 562 O ASP A 35 8.762 -6.164 -2.356 1.00 0.00 O ATOM 563 CB ASP A 35 10.787 -5.109 -0.447 1.00 0.00 C ATOM 564 CG ASP A 35 11.620 -5.083 0.835 1.00 0.00 C ATOM 565 OD1 ASP A 35 12.199 -6.105 1.162 1.00 0.00 O ATOM 566 OD2 ASP A 35 11.664 -4.040 1.468 1.00 0.00 O ATOM 0 H ASP A 35 12.302 -5.881 -2.146 1.00 0.00 H new ATOM 0 HA ASP A 35 10.863 -7.272 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.255 -4.486 -1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.797 -4.693 -0.258 1.00 0.00 H new ATOM 571 N LYS A 36 8.573 -7.782 -0.883 1.00 0.00 N ATOM 572 CA LYS A 36 7.185 -8.089 -1.336 1.00 0.00 C ATOM 573 C LYS A 36 6.168 -7.536 -0.337 1.00 0.00 C ATOM 574 O LYS A 36 6.186 -7.864 0.832 1.00 0.00 O ATOM 575 CB LYS A 36 7.104 -9.613 -1.384 1.00 0.00 C ATOM 576 CG LYS A 36 7.491 -10.108 -2.779 1.00 0.00 C ATOM 577 CD LYS A 36 6.298 -10.830 -3.412 1.00 0.00 C ATOM 578 CE LYS A 36 6.739 -12.203 -3.924 1.00 0.00 C ATOM 579 NZ LYS A 36 5.863 -12.476 -5.098 1.00 0.00 N ATOM 0 H LYS A 36 8.923 -8.367 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 36 6.963 -7.639 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.769 -10.046 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.094 -9.941 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.795 -9.268 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.345 -10.782 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.499 -10.944 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.896 -10.237 -4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.791 -12.199 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.620 -12.968 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.106 -13.402 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.868 -12.481 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.003 -11.736 -5.815 1.00 0.00 H new ATOM 593 N VAL A 37 5.280 -6.702 -0.794 1.00 0.00 N ATOM 594 CA VAL A 37 4.253 -6.123 0.119 1.00 0.00 C ATOM 595 C VAL A 37 2.902 -6.039 -0.597 1.00 0.00 C ATOM 596 O VAL A 37 2.837 -5.870 -1.797 1.00 0.00 O ATOM 597 CB VAL A 37 4.768 -4.727 0.464 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.070 -4.843 1.260 1.00 0.00 C ATOM 599 CG2 VAL A 37 5.027 -3.947 -0.826 1.00 0.00 C ATOM 0 H VAL A 37 5.219 -6.394 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 37 4.103 -6.730 1.012 1.00 0.00 H new ATOM 0 HB VAL A 37 4.023 -4.204 1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.436 -3.846 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.886 -5.399 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.816 -5.367 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.395 -2.951 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.772 -4.471 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.100 -3.863 -1.393 1.00 0.00 H new ATOM 609 N SER A 38 1.824 -6.159 0.128 1.00 0.00 N ATOM 610 CA SER A 38 0.482 -6.089 -0.520 1.00 0.00 C ATOM 611 C SER A 38 -0.188 -4.743 -0.219 1.00 0.00 C ATOM 612 O SER A 38 -0.029 -4.185 0.849 1.00 0.00 O ATOM 613 CB SER A 38 -0.315 -7.233 0.102 1.00 0.00 C ATOM 614 OG SER A 38 0.571 -8.295 0.434 1.00 0.00 O ATOM 0 H SER A 38 1.813 -6.302 1.138 1.00 0.00 H new ATOM 0 HA SER A 38 0.544 -6.174 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.836 -6.886 0.994 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.076 -7.583 -0.595 1.00 0.00 H new ATOM 0 HG SER A 38 0.347 -9.086 -0.099 1.00 0.00 H new ATOM 620 N PHE A 39 -0.941 -4.223 -1.150 1.00 0.00 N ATOM 621 CA PHE A 39 -1.628 -2.918 -0.916 1.00 0.00 C ATOM 622 C PHE A 39 -3.100 -3.157 -0.567 1.00 0.00 C ATOM 623 O PHE A 39 -3.754 -3.998 -1.146 1.00 0.00 O ATOM 624 CB PHE A 39 -1.502 -2.160 -2.238 1.00 0.00 C ATOM 625 CG PHE A 39 -0.126 -1.548 -2.336 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.939 -2.299 -2.845 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.084 -0.229 -1.916 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.215 -1.732 -2.934 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.360 0.339 -2.006 1.00 0.00 C ATOM 630 CZ PHE A 39 2.427 -0.412 -2.514 1.00 0.00 C ATOM 0 H PHE A 39 -1.111 -4.645 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.191 -2.360 -0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.671 -2.837 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.263 -1.382 -2.298 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.776 -3.316 -3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.738 0.350 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.037 -2.312 -3.327 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.522 1.357 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.412 0.025 -2.582 1.00 0.00 H new ATOM 640 N PHE A 40 -3.625 -2.430 0.379 1.00 0.00 N ATOM 641 CA PHE A 40 -5.052 -2.634 0.760 1.00 0.00 C ATOM 642 C PHE A 40 -5.990 -1.915 -0.213 1.00 0.00 C ATOM 643 O PHE A 40 -5.776 -0.777 -0.578 1.00 0.00 O ATOM 644 CB PHE A 40 -5.180 -2.041 2.163 1.00 0.00 C ATOM 645 CG PHE A 40 -4.908 -3.113 3.188 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.804 -4.178 3.338 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.765 -3.043 3.993 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.557 -5.173 4.291 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.517 -4.038 4.945 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.413 -5.103 5.095 1.00 0.00 C ATOM 0 H PHE A 40 -3.132 -1.707 0.903 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.328 -3.688 0.732 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.477 -1.217 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.180 -1.631 2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.687 -4.232 2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.074 -2.221 3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.249 -5.994 4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.634 -3.984 5.564 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.222 -5.870 5.831 1.00 0.00 H new ATOM 660 N CYS A 41 -7.039 -2.576 -0.626 1.00 0.00 N ATOM 661 CA CYS A 41 -8.009 -1.944 -1.566 1.00 0.00 C ATOM 662 C CYS A 41 -9.439 -2.305 -1.148 1.00 0.00 C ATOM 663 O CYS A 41 -9.649 -3.012 -0.182 1.00 0.00 O ATOM 664 CB CYS A 41 -7.683 -2.538 -2.937 1.00 0.00 C ATOM 665 SG CYS A 41 -6.848 -1.295 -3.953 1.00 0.00 S ATOM 0 H CYS A 41 -7.266 -3.532 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.937 -0.856 -1.573 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.047 -3.416 -2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.598 -2.869 -3.428 1.00 0.00 H new ATOM 670 N LYS A 42 -10.424 -1.825 -1.858 1.00 0.00 N ATOM 671 CA LYS A 42 -11.832 -2.147 -1.486 1.00 0.00 C ATOM 672 C LYS A 42 -12.537 -2.881 -2.626 1.00 0.00 C ATOM 673 O LYS A 42 -12.257 -2.664 -3.789 1.00 0.00 O ATOM 674 CB LYS A 42 -12.496 -0.795 -1.235 1.00 0.00 C ATOM 675 CG LYS A 42 -12.332 0.093 -2.471 1.00 0.00 C ATOM 676 CD LYS A 42 -11.396 1.257 -2.144 1.00 0.00 C ATOM 677 CE LYS A 42 -12.157 2.318 -1.344 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.142 3.532 -2.205 1.00 0.00 N ATOM 0 H LYS A 42 -10.316 -1.226 -2.677 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.882 -2.799 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.554 -0.934 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.047 -0.313 -0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.929 -0.490 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.303 0.472 -2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.540 0.899 -1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.005 1.692 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.177 1.997 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.677 2.509 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.192 4.382 -1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.264 3.552 -2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.959 3.512 -2.848 1.00 0.00 H new ATOM 692 N ASN A 43 -13.453 -3.745 -2.295 1.00 0.00 N ATOM 693 CA ASN A 43 -14.190 -4.499 -3.351 1.00 0.00 C ATOM 694 C ASN A 43 -15.645 -4.022 -3.415 1.00 0.00 C ATOM 695 O ASN A 43 -16.378 -4.108 -2.449 1.00 0.00 O ATOM 696 CB ASN A 43 -14.125 -5.962 -2.911 1.00 0.00 C ATOM 697 CG ASN A 43 -14.345 -6.869 -4.123 1.00 0.00 C ATOM 698 OD1 ASN A 43 -14.797 -6.420 -5.158 1.00 0.00 O ATOM 699 ND2 ASN A 43 -14.040 -8.135 -4.040 1.00 0.00 N ATOM 0 H ASN A 43 -13.726 -3.964 -1.337 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.761 -4.353 -4.342 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.157 -6.173 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.883 -6.159 -2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.181 -8.747 -4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.661 -8.512 -3.172 1.00 0.00 H new ATOM 706 N LYS A 44 -16.067 -3.519 -4.542 1.00 0.00 N ATOM 707 CA LYS A 44 -17.474 -3.035 -4.660 1.00 0.00 C ATOM 708 C LYS A 44 -18.429 -4.217 -4.842 1.00 0.00 C ATOM 709 O LYS A 44 -19.592 -4.146 -4.499 1.00 0.00 O ATOM 710 CB LYS A 44 -17.483 -2.136 -5.897 1.00 0.00 C ATOM 711 CG LYS A 44 -17.043 -2.942 -7.120 1.00 0.00 C ATOM 712 CD LYS A 44 -18.254 -3.215 -8.013 1.00 0.00 C ATOM 713 CE LYS A 44 -17.786 -3.831 -9.334 1.00 0.00 C ATOM 714 NZ LYS A 44 -18.598 -3.153 -10.383 1.00 0.00 N ATOM 0 H LYS A 44 -15.501 -3.422 -5.385 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.803 -2.501 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -18.482 -1.730 -6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.814 -1.288 -5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.284 -2.393 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.590 -3.882 -6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.946 -3.890 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.795 -2.288 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.720 -3.666 -9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.946 -4.909 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.334 -3.522 -11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.608 -3.334 -10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -18.420 -2.129 -10.352 1.00 0.00 H new ATOM 728 N GLU A 45 -17.949 -5.307 -5.377 1.00 0.00 N ATOM 729 CA GLU A 45 -18.834 -6.490 -5.575 1.00 0.00 C ATOM 730 C GLU A 45 -19.067 -7.202 -4.240 1.00 0.00 C ATOM 731 O GLU A 45 -20.189 -7.425 -3.831 1.00 0.00 O ATOM 732 CB GLU A 45 -18.073 -7.397 -6.541 1.00 0.00 C ATOM 733 CG GLU A 45 -19.071 -8.166 -7.411 1.00 0.00 C ATOM 734 CD GLU A 45 -18.328 -8.845 -8.563 1.00 0.00 C ATOM 735 OE1 GLU A 45 -17.379 -9.560 -8.289 1.00 0.00 O ATOM 736 OE2 GLU A 45 -18.723 -8.638 -9.698 1.00 0.00 O ATOM 0 H GLU A 45 -16.984 -5.429 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.814 -6.214 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.409 -6.802 -7.169 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.446 -8.094 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.593 -8.912 -6.811 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.827 -7.486 -7.803 1.00 0.00 H new ATOM 743 N LYS A 46 -18.014 -7.559 -3.557 1.00 0.00 N ATOM 744 CA LYS A 46 -18.176 -8.254 -2.248 1.00 0.00 C ATOM 745 C LYS A 46 -18.344 -7.227 -1.123 1.00 0.00 C ATOM 746 O LYS A 46 -18.745 -7.558 -0.025 1.00 0.00 O ATOM 747 CB LYS A 46 -16.888 -9.052 -2.060 1.00 0.00 C ATOM 748 CG LYS A 46 -16.673 -9.965 -3.268 1.00 0.00 C ATOM 749 CD LYS A 46 -16.728 -11.427 -2.820 1.00 0.00 C ATOM 750 CE LYS A 46 -17.371 -12.273 -3.919 1.00 0.00 C ATOM 751 NZ LYS A 46 -16.296 -13.204 -4.362 1.00 0.00 N ATOM 0 H LYS A 46 -17.049 -7.400 -3.848 1.00 0.00 H new ATOM 0 HA LYS A 46 -19.057 -8.896 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.041 -8.375 -1.947 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.945 -9.646 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.438 -9.775 -4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.710 -9.752 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.723 -11.791 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.301 -11.514 -1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.236 -12.819 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.720 -11.651 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.660 -13.820 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.488 -12.656 -4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.989 -13.787 -3.558 1.00 0.00 H new ATOM 765 N LYS A 47 -18.046 -5.985 -1.394 1.00 0.00 N ATOM 766 CA LYS A 47 -18.194 -4.929 -0.347 1.00 0.00 C ATOM 767 C LYS A 47 -17.155 -5.125 0.760 1.00 0.00 C ATOM 768 O LYS A 47 -17.394 -4.813 1.910 1.00 0.00 O ATOM 769 CB LYS A 47 -19.606 -5.102 0.215 1.00 0.00 C ATOM 770 CG LYS A 47 -20.590 -5.416 -0.917 1.00 0.00 C ATOM 771 CD LYS A 47 -21.735 -4.404 -0.895 1.00 0.00 C ATOM 772 CE LYS A 47 -22.431 -4.395 -2.258 1.00 0.00 C ATOM 773 NZ LYS A 47 -23.533 -3.403 -2.124 1.00 0.00 N ATOM 0 H LYS A 47 -17.706 -5.654 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.041 -3.931 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.617 -5.907 0.950 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.913 -4.193 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.078 -5.380 -1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.982 -6.427 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.448 -4.662 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.352 -3.410 -0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.740 -4.112 -3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -22.818 -5.382 -2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -24.056 -3.342 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -24.179 -3.702 -1.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -23.135 -2.471 -1.891 1.00 0.00 H new ATOM 787 N CYS A 48 -16.002 -5.632 0.423 1.00 0.00 N ATOM 788 CA CYS A 48 -14.947 -5.839 1.460 1.00 0.00 C ATOM 789 C CYS A 48 -13.598 -5.375 0.915 1.00 0.00 C ATOM 790 O CYS A 48 -13.459 -5.083 -0.256 1.00 0.00 O ATOM 791 CB CYS A 48 -14.884 -7.349 1.769 1.00 0.00 C ATOM 792 SG CYS A 48 -16.282 -8.256 1.041 1.00 0.00 S ATOM 0 H CYS A 48 -15.743 -5.912 -0.523 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.178 -5.271 2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.949 -7.758 1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.879 -7.498 2.849 1.00 0.00 H new ATOM 797 N SER A 49 -12.600 -5.311 1.750 1.00 0.00 N ATOM 798 CA SER A 49 -11.262 -4.874 1.269 1.00 0.00 C ATOM 799 C SER A 49 -10.327 -6.077 1.147 1.00 0.00 C ATOM 800 O SER A 49 -10.620 -7.158 1.620 1.00 0.00 O ATOM 801 CB SER A 49 -10.751 -3.908 2.332 1.00 0.00 C ATOM 802 OG SER A 49 -11.156 -4.365 3.615 1.00 0.00 O ATOM 0 H SER A 49 -12.653 -5.542 2.742 1.00 0.00 H new ATOM 0 HA SER A 49 -11.312 -4.407 0.286 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.664 -3.838 2.284 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.143 -2.907 2.149 1.00 0.00 H new ATOM 0 HG SER A 49 -10.373 -4.685 4.110 1.00 0.00 H new ATOM 808 N TYR A 50 -9.202 -5.894 0.518 1.00 0.00 N ATOM 809 CA TYR A 50 -8.238 -7.020 0.363 1.00 0.00 C ATOM 810 C TYR A 50 -6.825 -6.473 0.156 1.00 0.00 C ATOM 811 O TYR A 50 -6.595 -5.282 0.223 1.00 0.00 O ATOM 812 CB TYR A 50 -8.707 -7.781 -0.877 1.00 0.00 C ATOM 813 CG TYR A 50 -9.014 -6.804 -1.987 1.00 0.00 C ATOM 814 CD1 TYR A 50 -7.976 -6.277 -2.764 1.00 0.00 C ATOM 815 CD2 TYR A 50 -10.338 -6.428 -2.241 1.00 0.00 C ATOM 816 CE1 TYR A 50 -8.262 -5.373 -3.794 1.00 0.00 C ATOM 817 CE2 TYR A 50 -10.625 -5.525 -3.271 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.586 -4.997 -4.049 1.00 0.00 C ATOM 819 OH TYR A 50 -9.868 -4.107 -5.066 1.00 0.00 O ATOM 0 H TYR A 50 -8.906 -5.011 0.103 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.207 -7.663 1.243 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.936 -8.482 -1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.594 -8.369 -0.641 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.954 -6.568 -2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.139 -6.835 -1.642 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.461 -4.965 -4.392 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.647 -5.235 -3.466 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.634 -3.551 -4.811 1.00 0.00 H new ATOM 829 N THR A 51 -5.876 -7.332 -0.094 1.00 0.00 N ATOM 830 CA THR A 51 -4.482 -6.850 -0.303 1.00 0.00 C ATOM 831 C THR A 51 -3.977 -7.254 -1.689 1.00 0.00 C ATOM 832 O THR A 51 -4.309 -8.302 -2.204 1.00 0.00 O ATOM 833 CB THR A 51 -3.654 -7.534 0.784 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.902 -8.932 0.755 1.00 0.00 O ATOM 835 CG2 THR A 51 -4.038 -6.972 2.153 1.00 0.00 C ATOM 0 H THR A 51 -6.004 -8.342 -0.162 1.00 0.00 H new ATOM 0 HA THR A 51 -4.415 -5.764 -0.246 1.00 0.00 H new ATOM 0 HB THR A 51 -2.595 -7.349 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.371 -9.373 1.450 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.446 -7.462 2.926 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.845 -5.899 2.173 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.097 -7.154 2.337 1.00 0.00 H new ATOM 843 N GLU A 52 -3.167 -6.428 -2.287 1.00 0.00 N ATOM 844 CA GLU A 52 -2.624 -6.755 -3.635 1.00 0.00 C ATOM 845 C GLU A 52 -1.111 -6.949 -3.543 1.00 0.00 C ATOM 846 O GLU A 52 -0.347 -6.009 -3.648 1.00 0.00 O ATOM 847 CB GLU A 52 -2.960 -5.543 -4.505 1.00 0.00 C ATOM 848 CG GLU A 52 -4.037 -5.928 -5.520 1.00 0.00 C ATOM 849 CD GLU A 52 -3.540 -7.098 -6.370 1.00 0.00 C ATOM 850 OE1 GLU A 52 -2.374 -7.091 -6.728 1.00 0.00 O ATOM 851 OE2 GLU A 52 -4.335 -7.982 -6.648 1.00 0.00 O ATOM 0 H GLU A 52 -2.856 -5.537 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.045 -7.673 -4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.310 -4.720 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.066 -5.194 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.956 -6.204 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.273 -5.076 -6.157 1.00 0.00 H new ATOM 858 N ASP A 53 -0.673 -8.160 -3.333 1.00 0.00 N ATOM 859 CA ASP A 53 0.791 -8.417 -3.218 1.00 0.00 C ATOM 860 C ASP A 53 1.569 -7.592 -4.242 1.00 0.00 C ATOM 861 O ASP A 53 1.132 -7.382 -5.356 1.00 0.00 O ATOM 862 CB ASP A 53 0.963 -9.907 -3.499 1.00 0.00 C ATOM 863 CG ASP A 53 0.143 -10.719 -2.496 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.153 -10.367 -1.328 1.00 0.00 O ATOM 865 OD2 ASP A 53 -0.481 -11.681 -2.913 1.00 0.00 O ATOM 0 H ASP A 53 -1.266 -8.984 -3.236 1.00 0.00 H new ATOM 0 HA ASP A 53 1.171 -8.138 -2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.641 -10.135 -4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.016 -10.181 -3.429 1.00 0.00 H new ATOM 870 N ALA A 54 2.727 -7.133 -3.867 1.00 0.00 N ATOM 871 CA ALA A 54 3.558 -6.325 -4.804 1.00 0.00 C ATOM 872 C ALA A 54 5.030 -6.723 -4.669 1.00 0.00 C ATOM 873 O ALA A 54 5.400 -7.473 -3.787 1.00 0.00 O ATOM 874 CB ALA A 54 3.353 -4.873 -4.369 1.00 0.00 C ATOM 0 H ALA A 54 3.138 -7.283 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 54 3.277 -6.478 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.935 -4.214 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.297 -4.616 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.681 -4.753 -3.337 1.00 0.00 H new ATOM 880 N GLN A 55 5.874 -6.232 -5.534 1.00 0.00 N ATOM 881 CA GLN A 55 7.318 -6.591 -5.447 1.00 0.00 C ATOM 882 C GLN A 55 8.188 -5.357 -5.697 1.00 0.00 C ATOM 883 O GLN A 55 7.899 -4.541 -6.551 1.00 0.00 O ATOM 884 CB GLN A 55 7.533 -7.631 -6.545 1.00 0.00 C ATOM 885 CG GLN A 55 8.842 -8.381 -6.287 1.00 0.00 C ATOM 886 CD GLN A 55 9.218 -9.197 -7.525 1.00 0.00 C ATOM 887 OE1 GLN A 55 8.356 -9.678 -8.234 1.00 0.00 O ATOM 888 NE2 GLN A 55 10.478 -9.374 -7.815 1.00 0.00 N ATOM 0 H GLN A 55 5.628 -5.600 -6.295 1.00 0.00 H new ATOM 0 HA GLN A 55 7.589 -6.974 -4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.698 -8.331 -6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.566 -7.145 -7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.637 -7.674 -6.049 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.732 -9.039 -5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.200 -8.970 -7.219 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.741 -9.917 -8.638 1.00 0.00 H new ATOM 897 N CYS A 56 9.254 -5.212 -4.957 1.00 0.00 N ATOM 898 CA CYS A 56 10.142 -4.034 -5.150 1.00 0.00 C ATOM 899 C CYS A 56 11.367 -4.432 -5.978 1.00 0.00 C ATOM 900 O CYS A 56 11.889 -5.521 -5.846 1.00 0.00 O ATOM 901 CB CYS A 56 10.554 -3.625 -3.738 1.00 0.00 C ATOM 902 SG CYS A 56 10.200 -1.868 -3.491 1.00 0.00 S ATOM 0 H CYS A 56 9.547 -5.861 -4.226 1.00 0.00 H new ATOM 0 HA CYS A 56 9.651 -3.220 -5.684 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.015 -4.222 -3.003 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.616 -3.817 -3.588 1.00 0.00 H new ATOM 907 N ILE A 57 11.826 -3.562 -6.834 1.00 0.00 N ATOM 908 CA ILE A 57 13.014 -3.895 -7.673 1.00 0.00 C ATOM 909 C ILE A 57 14.013 -2.734 -7.668 1.00 0.00 C ATOM 910 O ILE A 57 13.776 -1.699 -7.077 1.00 0.00 O ATOM 911 CB ILE A 57 12.455 -4.118 -9.079 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.276 -5.092 -9.012 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.545 -4.708 -9.977 1.00 0.00 C ATOM 914 CD1 ILE A 57 9.976 -4.337 -9.290 1.00 0.00 C ATOM 0 H ILE A 57 11.431 -2.635 -6.990 1.00 0.00 H new ATOM 0 HA ILE A 57 13.548 -4.770 -7.302 1.00 0.00 H new ATOM 0 HB ILE A 57 12.120 -3.165 -9.489 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.408 -5.891 -9.742 1.00 0.00 H new ATOM 0 HG13 ILE A 57 11.234 -5.562 -8.029 1.00 0.00 H new ATOM 0 HG21 ILE A 57 13.145 -4.866 -10.979 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.388 -4.018 -10.028 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.880 -5.660 -9.565 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.136 -5.030 -9.243 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.843 -3.554 -8.544 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.021 -3.888 -10.282 1.00 0.00 H new ATOM 926 N ASP A 58 15.132 -2.907 -8.318 1.00 0.00 N ATOM 927 CA ASP A 58 16.164 -1.827 -8.358 1.00 0.00 C ATOM 928 C ASP A 58 15.513 -0.443 -8.480 1.00 0.00 C ATOM 929 O ASP A 58 15.237 0.031 -9.564 1.00 0.00 O ATOM 930 CB ASP A 58 17.002 -2.131 -9.599 1.00 0.00 C ATOM 931 CG ASP A 58 18.424 -1.605 -9.395 1.00 0.00 C ATOM 932 OD1 ASP A 58 18.565 -0.422 -9.133 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.348 -2.395 -9.504 1.00 0.00 O ATOM 0 H ASP A 58 15.379 -3.756 -8.827 1.00 0.00 H new ATOM 0 HA ASP A 58 16.761 -1.806 -7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.023 -3.205 -9.783 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.553 -1.666 -10.477 1.00 0.00 H new ATOM 938 N GLY A 59 15.286 0.212 -7.375 1.00 0.00 N ATOM 939 CA GLY A 59 14.677 1.574 -7.413 1.00 0.00 C ATOM 940 C GLY A 59 13.420 1.586 -8.286 1.00 0.00 C ATOM 941 O GLY A 59 12.976 2.629 -8.724 1.00 0.00 O ATOM 0 H GLY A 59 15.497 -0.139 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.425 1.892 -6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.401 2.290 -7.802 1.00 0.00 H new ATOM 945 N THR A 60 12.832 0.450 -8.544 1.00 0.00 N ATOM 946 CA THR A 60 11.600 0.441 -9.387 1.00 0.00 C ATOM 947 C THR A 60 10.566 -0.530 -8.824 1.00 0.00 C ATOM 948 O THR A 60 10.842 -1.690 -8.600 1.00 0.00 O ATOM 949 CB THR A 60 12.051 -0.025 -10.766 1.00 0.00 C ATOM 950 OG1 THR A 60 13.268 0.620 -11.113 1.00 0.00 O ATOM 951 CG2 THR A 60 10.971 0.318 -11.793 1.00 0.00 C ATOM 0 H THR A 60 13.145 -0.463 -8.213 1.00 0.00 H new ATOM 0 HA THR A 60 11.133 1.426 -9.417 1.00 0.00 H new ATOM 0 HB THR A 60 12.210 -1.103 -10.754 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.022 0.117 -10.741 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.290 -0.014 -12.781 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.041 -0.183 -11.524 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.811 1.396 -11.806 1.00 0.00 H new ATOM 959 N ILE A 61 9.372 -0.064 -8.610 1.00 0.00 N ATOM 960 CA ILE A 61 8.306 -0.955 -8.075 1.00 0.00 C ATOM 961 C ILE A 61 7.001 -0.722 -8.839 1.00 0.00 C ATOM 962 O ILE A 61 6.649 0.394 -9.165 1.00 0.00 O ATOM 963 CB ILE A 61 8.152 -0.572 -6.600 1.00 0.00 C ATOM 964 CG1 ILE A 61 6.816 -1.099 -6.068 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.193 0.950 -6.451 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.064 -1.954 -4.823 1.00 0.00 C ATOM 0 H ILE A 61 9.085 0.899 -8.783 1.00 0.00 H new ATOM 0 HA ILE A 61 8.556 -2.010 -8.185 1.00 0.00 H new ATOM 0 HB ILE A 61 8.971 -1.012 -6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.155 -0.267 -5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.315 -1.690 -6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.083 1.216 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.146 1.326 -6.823 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.379 1.394 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.113 -2.329 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.709 -2.794 -5.081 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.547 -1.348 -4.056 1.00 0.00 H new ATOM 978 N GLU A 62 6.288 -1.772 -9.131 1.00 0.00 N ATOM 979 CA GLU A 62 5.008 -1.622 -9.880 1.00 0.00 C ATOM 980 C GLU A 62 3.830 -1.520 -8.908 1.00 0.00 C ATOM 981 O GLU A 62 2.988 -2.395 -8.846 1.00 0.00 O ATOM 982 CB GLU A 62 4.893 -2.891 -10.724 1.00 0.00 C ATOM 983 CG GLU A 62 5.208 -2.562 -12.184 1.00 0.00 C ATOM 984 CD GLU A 62 3.902 -2.318 -12.944 1.00 0.00 C ATOM 985 OE1 GLU A 62 3.011 -1.709 -12.373 1.00 0.00 O ATOM 986 OE2 GLU A 62 3.815 -2.743 -14.085 1.00 0.00 O ATOM 0 H GLU A 62 6.536 -2.730 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 62 4.994 -0.720 -10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.582 -3.650 -10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.888 -3.305 -10.642 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.844 -1.679 -12.240 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.760 -3.383 -12.642 1.00 0.00 H new ATOM 993 N VAL A 63 3.760 -0.460 -8.152 1.00 0.00 N ATOM 994 CA VAL A 63 2.630 -0.309 -7.192 1.00 0.00 C ATOM 995 C VAL A 63 1.298 -0.586 -7.905 1.00 0.00 C ATOM 996 O VAL A 63 1.069 -0.084 -8.987 1.00 0.00 O ATOM 997 CB VAL A 63 2.695 1.147 -6.732 1.00 0.00 C ATOM 998 CG1 VAL A 63 1.454 1.474 -5.898 1.00 0.00 C ATOM 999 CG2 VAL A 63 3.950 1.357 -5.881 1.00 0.00 C ATOM 0 H VAL A 63 4.433 0.306 -8.157 1.00 0.00 H new ATOM 0 HA VAL A 63 2.699 -1.004 -6.355 1.00 0.00 H new ATOM 0 HB VAL A 63 2.731 1.802 -7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.500 2.512 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.559 1.324 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.418 0.819 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.997 2.395 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.913 0.702 -5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.835 1.123 -6.473 1.00 0.00 H new ATOM 1009 N PRO A 64 0.457 -1.379 -7.284 1.00 0.00 N ATOM 1010 CA PRO A 64 -0.857 -1.712 -7.886 1.00 0.00 C ATOM 1011 C PRO A 64 -1.705 -0.448 -8.063 1.00 0.00 C ATOM 1012 O PRO A 64 -2.049 0.219 -7.107 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.475 -2.655 -6.849 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.481 -2.831 -5.684 1.00 0.00 C ATOM 1015 CD PRO A 64 0.762 -1.977 -5.963 1.00 0.00 C ATOM 0 HA PRO A 64 -0.784 -2.157 -8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.418 -2.248 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.700 -3.620 -7.303 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.943 -2.529 -4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.203 -3.880 -5.580 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.910 -1.215 -5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.670 -2.580 -5.991 1.00 0.00 H new ATOM 1023 N LYS A 65 -2.043 -0.114 -9.280 1.00 0.00 N ATOM 1024 CA LYS A 65 -2.866 1.106 -9.519 1.00 0.00 C ATOM 1025 C LYS A 65 -4.087 1.108 -8.593 1.00 0.00 C ATOM 1026 O LYS A 65 -4.598 2.148 -8.227 1.00 0.00 O ATOM 1027 CB LYS A 65 -3.300 1.017 -10.984 1.00 0.00 C ATOM 1028 CG LYS A 65 -3.755 -0.410 -11.301 1.00 0.00 C ATOM 1029 CD LYS A 65 -2.799 -1.036 -12.319 1.00 0.00 C ATOM 1030 CE LYS A 65 -3.597 -1.559 -13.516 1.00 0.00 C ATOM 1031 NZ LYS A 65 -2.892 -2.802 -13.935 1.00 0.00 N ATOM 0 H LYS A 65 -1.784 -0.634 -10.119 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.312 2.023 -9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.111 1.719 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.473 1.299 -11.636 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.775 -1.008 -10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.770 -0.400 -11.698 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.069 -0.297 -12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.241 -1.850 -11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.631 -1.765 -13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.622 -0.828 -14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.381 -3.220 -14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.912 -2.574 -14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.890 -3.482 -13.148 1.00 0.00 H new ATOM 1045 N CYS A 66 -4.554 -0.049 -8.208 1.00 0.00 N ATOM 1046 CA CYS A 66 -5.739 -0.109 -7.302 1.00 0.00 C ATOM 1047 C CYS A 66 -5.572 0.887 -6.153 1.00 0.00 C ATOM 1048 O CYS A 66 -6.522 1.503 -5.708 1.00 0.00 O ATOM 1049 CB CYS A 66 -5.759 -1.542 -6.767 1.00 0.00 C ATOM 1050 SG CYS A 66 -7.296 -1.823 -5.853 1.00 0.00 S ATOM 0 H CYS A 66 -4.168 -0.953 -8.480 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.665 0.147 -7.816 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.679 -2.251 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.901 -1.711 -6.117 1.00 0.00 H new ATOM 1055 N PHE A 67 -4.372 1.051 -5.668 1.00 0.00 N ATOM 1056 CA PHE A 67 -4.143 2.008 -4.547 1.00 0.00 C ATOM 1057 C PHE A 67 -4.872 3.326 -4.820 1.00 0.00 C ATOM 1058 O PHE A 67 -5.285 3.600 -5.930 1.00 0.00 O ATOM 1059 CB PHE A 67 -2.631 2.227 -4.515 1.00 0.00 C ATOM 1060 CG PHE A 67 -2.278 3.162 -3.383 1.00 0.00 C ATOM 1061 CD1 PHE A 67 -2.273 2.692 -2.065 1.00 0.00 C ATOM 1062 CD2 PHE A 67 -1.956 4.498 -3.651 1.00 0.00 C ATOM 1063 CE1 PHE A 67 -1.946 3.557 -1.014 1.00 0.00 C ATOM 1064 CE2 PHE A 67 -1.630 5.364 -2.599 1.00 0.00 C ATOM 1065 CZ PHE A 67 -1.625 4.892 -1.280 1.00 0.00 C ATOM 0 H PHE A 67 -3.539 0.564 -5.999 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.519 1.629 -3.597 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.118 1.274 -4.386 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.294 2.645 -5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.522 1.661 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.959 4.861 -4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.942 3.193 0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.383 6.395 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.373 5.559 -0.469 1.00 0.00 H new ATOM 1075 N LYS A 68 -5.032 4.145 -3.817 1.00 0.00 N ATOM 1076 CA LYS A 68 -5.731 5.445 -4.020 1.00 0.00 C ATOM 1077 C LYS A 68 -5.018 6.554 -3.240 1.00 0.00 C ATOM 1078 O LYS A 68 -5.139 6.655 -2.035 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.143 5.225 -3.475 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.904 4.273 -4.401 1.00 0.00 C ATOM 1081 CD LYS A 68 -9.030 5.035 -5.102 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.434 5.953 -6.174 1.00 0.00 C ATOM 1083 NZ LYS A 68 -9.504 6.093 -7.203 1.00 0.00 N ATOM 0 H LYS A 68 -4.709 3.970 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.743 5.750 -5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.095 4.810 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.669 6.177 -3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.225 3.846 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.315 3.442 -3.828 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.730 4.334 -5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.593 5.623 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.160 6.922 -5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.529 5.523 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.169 6.709 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.740 5.156 -7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.351 6.511 -6.768 1.00 0.00 H new ATOM 1097 N GLU A 69 -4.276 7.385 -3.918 1.00 0.00 N ATOM 1098 CA GLU A 69 -3.553 8.486 -3.215 1.00 0.00 C ATOM 1099 C GLU A 69 -4.553 9.454 -2.576 1.00 0.00 C ATOM 1100 O GLU A 69 -4.619 9.585 -1.370 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.749 9.190 -4.308 1.00 0.00 C ATOM 1102 CG GLU A 69 -2.123 10.467 -3.743 1.00 0.00 C ATOM 1103 CD GLU A 69 -0.607 10.289 -3.635 1.00 0.00 C ATOM 1104 OE1 GLU A 69 0.058 10.413 -4.650 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -0.137 10.032 -2.539 1.00 0.00 O ATOM 0 H GLU A 69 -4.138 7.351 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.915 8.115 -2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.970 8.527 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.396 9.432 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.355 11.314 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.544 10.688 -2.762 1.00 0.00 H new ATOM 1112 N HIS A 70 -5.332 10.130 -3.375 1.00 0.00 N ATOM 1113 CA HIS A 70 -6.328 11.088 -2.812 1.00 0.00 C ATOM 1114 C HIS A 70 -7.716 10.809 -3.394 1.00 0.00 C ATOM 1115 O HIS A 70 -8.058 11.278 -4.461 1.00 0.00 O ATOM 1116 CB HIS A 70 -5.832 12.470 -3.243 1.00 0.00 C ATOM 1117 CG HIS A 70 -5.367 13.239 -2.036 1.00 0.00 C ATOM 1118 ND1 HIS A 70 -5.734 14.557 -1.813 1.00 0.00 N ATOM 1119 CD2 HIS A 70 -4.560 12.890 -0.980 1.00 0.00 C ATOM 1120 CE1 HIS A 70 -5.155 14.949 -0.664 1.00 0.00 C ATOM 1121 NE2 HIS A 70 -4.428 13.972 -0.115 1.00 0.00 N ATOM 0 H HIS A 70 -5.323 10.061 -4.393 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.416 11.006 -1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.016 12.368 -3.958 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.631 13.013 -3.747 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.099 11.923 -0.842 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.265 15.935 -0.237 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.892 14.011 0.752 1.00 0.00 H new ATOM 1129 N SER A 71 -8.520 10.048 -2.701 1.00 0.00 N ATOM 1130 CA SER A 71 -9.885 9.740 -3.217 1.00 0.00 C ATOM 1131 C SER A 71 -10.919 10.662 -2.565 1.00 0.00 C ATOM 1132 O SER A 71 -10.815 11.005 -1.404 1.00 0.00 O ATOM 1133 CB SER A 71 -10.140 8.287 -2.820 1.00 0.00 C ATOM 1134 OG SER A 71 -11.005 7.684 -3.775 1.00 0.00 O ATOM 0 H SER A 71 -8.291 9.627 -1.801 1.00 0.00 H new ATOM 0 HA SER A 71 -9.961 9.889 -4.294 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.198 7.741 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.588 8.242 -1.827 1.00 0.00 H new ATOM 0 HG SER A 71 -11.297 6.809 -3.445 1.00 0.00 H new ATOM 1140 N SER A 72 -11.914 11.068 -3.304 1.00 0.00 N ATOM 1141 CA SER A 72 -12.953 11.969 -2.726 1.00 0.00 C ATOM 1142 C SER A 72 -14.334 11.315 -2.815 1.00 0.00 C ATOM 1143 O SER A 72 -15.265 11.878 -3.355 1.00 0.00 O ATOM 1144 CB SER A 72 -12.904 13.230 -3.587 1.00 0.00 C ATOM 1145 OG SER A 72 -11.642 13.305 -4.238 1.00 0.00 O ATOM 0 H SER A 72 -12.053 10.816 -4.282 1.00 0.00 H new ATOM 0 HA SER A 72 -12.772 12.184 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.706 13.212 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.060 14.113 -2.968 1.00 0.00 H new ATOM 0 HG SER A 72 -11.608 14.112 -4.793 1.00 0.00 H new ATOM 1151 N LEU A 73 -14.475 10.128 -2.288 1.00 0.00 N ATOM 1152 CA LEU A 73 -15.798 9.442 -2.342 1.00 0.00 C ATOM 1153 C LEU A 73 -16.788 10.127 -1.396 1.00 0.00 C ATOM 1154 O LEU A 73 -16.516 11.181 -0.857 1.00 0.00 O ATOM 1155 CB LEU A 73 -15.519 8.011 -1.886 1.00 0.00 C ATOM 1156 CG LEU A 73 -14.817 7.247 -3.009 1.00 0.00 C ATOM 1157 CD1 LEU A 73 -14.022 6.082 -2.416 1.00 0.00 C ATOM 1158 CD2 LEU A 73 -15.862 6.704 -3.986 1.00 0.00 C ATOM 0 H LEU A 73 -13.733 9.605 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.240 9.473 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.896 8.018 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.452 7.514 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.139 7.919 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.522 5.538 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.278 6.467 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.699 5.410 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.363 6.159 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -16.540 6.033 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -16.429 7.533 -4.410 1.00 0.00 H new ATOM 1170 N ALA A 74 -17.933 9.536 -1.193 1.00 0.00 N ATOM 1171 CA ALA A 74 -18.940 10.155 -0.283 1.00 0.00 C ATOM 1172 C ALA A 74 -18.363 10.298 1.128 1.00 0.00 C ATOM 1173 O ALA A 74 -17.179 10.498 1.308 1.00 0.00 O ATOM 1174 CB ALA A 74 -20.124 9.189 -0.286 1.00 0.00 C ATOM 0 H ALA A 74 -18.216 8.652 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 74 -19.230 11.154 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -20.910 9.575 0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -20.508 9.088 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.799 8.214 0.078 1.00 0.00 H new ATOM 1180 N PHE A 75 -19.194 10.198 2.129 1.00 0.00 N ATOM 1181 CA PHE A 75 -18.694 10.332 3.529 1.00 0.00 C ATOM 1182 C PHE A 75 -18.473 8.949 4.150 1.00 0.00 C ATOM 1183 O PHE A 75 -19.341 8.407 4.804 1.00 0.00 O ATOM 1184 CB PHE A 75 -19.800 11.085 4.271 1.00 0.00 C ATOM 1185 CG PHE A 75 -19.184 11.998 5.304 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -18.483 13.142 4.901 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -19.314 11.700 6.666 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -17.914 13.987 5.861 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -18.744 12.546 7.625 1.00 0.00 C ATOM 1190 CZ PHE A 75 -18.044 13.690 7.222 1.00 0.00 C ATOM 0 H PHE A 75 -20.196 10.030 2.040 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.739 10.855 3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -20.395 11.666 3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -20.476 10.378 4.752 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -18.382 13.372 3.851 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -19.854 10.818 6.977 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -17.374 14.869 5.551 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -18.844 12.316 8.676 1.00 0.00 H new ATOM 0 HZ PHE A 75 -17.605 14.343 7.962 1.00 0.00 H new ATOM 1200 N TRP A 76 -17.315 8.377 3.956 1.00 0.00 N ATOM 1201 CA TRP A 76 -17.037 7.033 4.541 1.00 0.00 C ATOM 1202 C TRP A 76 -16.098 7.165 5.742 1.00 0.00 C ATOM 1203 O TRP A 76 -15.605 8.235 6.039 1.00 0.00 O ATOM 1204 CB TRP A 76 -16.371 6.242 3.419 1.00 0.00 C ATOM 1205 CG TRP A 76 -17.303 5.165 2.971 1.00 0.00 C ATOM 1206 CD1 TRP A 76 -17.472 3.980 3.597 1.00 0.00 C ATOM 1207 CD2 TRP A 76 -18.200 5.156 1.827 1.00 0.00 C ATOM 1208 NE1 TRP A 76 -18.412 3.238 2.903 1.00 0.00 N ATOM 1209 CE2 TRP A 76 -18.891 3.922 1.803 1.00 0.00 C ATOM 1210 CE3 TRP A 76 -18.477 6.091 0.815 1.00 0.00 C ATOM 1211 CZ2 TRP A 76 -19.825 3.625 0.810 1.00 0.00 C ATOM 1212 CZ3 TRP A 76 -19.417 5.798 -0.187 1.00 0.00 C ATOM 1213 CH2 TRP A 76 -20.089 4.567 -0.190 1.00 0.00 C ATOM 0 H TRP A 76 -16.549 8.782 3.418 1.00 0.00 H new ATOM 0 HA TRP A 76 -17.942 6.542 4.900 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -16.127 6.901 2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -15.433 5.809 3.768 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -16.958 3.663 4.492 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -18.714 2.301 3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -17.964 7.041 0.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -20.340 2.676 0.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -19.623 6.524 -0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -20.810 4.346 -0.964 1.00 0.00 H new ATOM 1224 N LYS A 77 -15.849 6.090 6.438 1.00 0.00 N ATOM 1225 CA LYS A 77 -14.945 6.166 7.623 1.00 0.00 C ATOM 1226 C LYS A 77 -13.955 4.997 7.619 1.00 0.00 C ATOM 1227 O LYS A 77 -13.391 4.649 8.638 1.00 0.00 O ATOM 1228 CB LYS A 77 -15.873 6.078 8.833 1.00 0.00 C ATOM 1229 CG LYS A 77 -15.830 7.397 9.608 1.00 0.00 C ATOM 1230 CD LYS A 77 -16.696 7.282 10.862 1.00 0.00 C ATOM 1231 CE LYS A 77 -18.153 7.582 10.505 1.00 0.00 C ATOM 1232 NZ LYS A 77 -18.410 8.941 11.056 1.00 0.00 N ATOM 0 H LYS A 77 -16.230 5.165 6.239 1.00 0.00 H new ATOM 0 HA LYS A 77 -14.351 7.080 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.892 5.868 8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.568 5.255 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.803 7.635 9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.189 8.212 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.613 6.280 11.284 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.346 7.979 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.309 7.557 9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.827 6.845 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.391 9.219 10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -18.260 8.932 12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -17.758 9.622 10.617 1.00 0.00 H new ATOM 1246 N THR A 78 -13.737 4.388 6.486 1.00 0.00 N ATOM 1247 CA THR A 78 -12.781 3.245 6.433 1.00 0.00 C ATOM 1248 C THR A 78 -12.183 3.117 5.031 1.00 0.00 C ATOM 1249 O THR A 78 -12.774 2.534 4.144 1.00 0.00 O ATOM 1250 CB THR A 78 -13.614 2.007 6.771 1.00 0.00 C ATOM 1251 OG1 THR A 78 -14.996 2.327 6.685 1.00 0.00 O ATOM 1252 CG2 THR A 78 -13.283 1.541 8.189 1.00 0.00 C ATOM 0 H THR A 78 -14.177 4.630 5.598 1.00 0.00 H new ATOM 0 HA THR A 78 -11.949 3.377 7.124 1.00 0.00 H new ATOM 0 HB THR A 78 -13.383 1.210 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.529 1.534 6.900 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.876 0.659 8.430 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.223 1.294 8.253 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.513 2.337 8.897 1.00 0.00 H new ATOM 1260 N ASP A 79 -11.011 3.651 4.824 1.00 0.00 N ATOM 1261 CA ASP A 79 -10.379 3.551 3.478 1.00 0.00 C ATOM 1262 C ASP A 79 -9.858 2.129 3.255 1.00 0.00 C ATOM 1263 O ASP A 79 -9.723 1.357 4.180 1.00 0.00 O ATOM 1264 CB ASP A 79 -9.224 4.552 3.505 1.00 0.00 C ATOM 1265 CG ASP A 79 -9.406 5.569 2.377 1.00 0.00 C ATOM 1266 OD1 ASP A 79 -10.543 5.851 2.036 1.00 0.00 O ATOM 1267 OD2 ASP A 79 -8.404 6.049 1.872 1.00 0.00 O ATOM 0 H ASP A 79 -10.465 4.151 5.526 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.079 3.767 2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.193 5.062 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.274 4.031 3.390 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.568 1.779 2.033 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.060 0.405 1.752 1.00 0.00 C ATOM 1274 C ALA A 80 -8.039 -0.019 2.813 1.00 0.00 C ATOM 1275 O ALA A 80 -8.107 -1.104 3.355 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.395 0.507 0.379 1.00 0.00 C ATOM 0 H ALA A 80 -9.660 2.383 1.217 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.856 -0.339 1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.993 -0.466 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.132 0.824 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.586 1.236 0.420 1.00 0.00 H new ATOM 1282 N SER A 81 -7.090 0.825 3.107 1.00 0.00 N ATOM 1283 CA SER A 81 -6.058 0.468 4.126 1.00 0.00 C ATOM 1284 C SER A 81 -6.682 0.367 5.524 1.00 0.00 C ATOM 1285 O SER A 81 -6.042 -0.060 6.464 1.00 0.00 O ATOM 1286 CB SER A 81 -5.042 1.610 4.076 1.00 0.00 C ATOM 1287 OG SER A 81 -5.633 2.738 3.446 1.00 0.00 O ATOM 0 H SER A 81 -6.982 1.748 2.686 1.00 0.00 H new ATOM 0 HA SER A 81 -5.602 -0.500 3.919 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.720 1.870 5.084 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.153 1.297 3.528 1.00 0.00 H new ATOM 0 HG SER A 81 -5.415 2.731 2.491 1.00 0.00 H new ATOM 1293 N ASP A 82 -7.919 0.756 5.672 1.00 0.00 N ATOM 1294 CA ASP A 82 -8.565 0.676 7.015 1.00 0.00 C ATOM 1295 C ASP A 82 -9.908 -0.056 6.924 1.00 0.00 C ATOM 1296 O ASP A 82 -10.824 0.213 7.675 1.00 0.00 O ATOM 1297 CB ASP A 82 -8.778 2.128 7.437 1.00 0.00 C ATOM 1298 CG ASP A 82 -7.469 2.904 7.282 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -6.621 2.777 8.149 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -7.337 3.613 6.298 1.00 0.00 O ATOM 0 H ASP A 82 -8.509 1.124 4.926 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.954 0.125 7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.557 2.584 6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.118 2.171 8.472 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.031 -0.982 6.013 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.315 -1.731 5.878 1.00 0.00 C ATOM 1307 C VAL A 83 -11.119 -3.191 6.301 1.00 0.00 C ATOM 1308 O VAL A 83 -10.011 -3.683 6.370 1.00 0.00 O ATOM 1309 CB VAL A 83 -11.671 -1.648 4.395 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.016 -2.333 4.151 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -11.765 -0.179 3.975 1.00 0.00 C ATOM 0 H VAL A 83 -9.299 -1.253 5.356 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.102 -1.318 6.508 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.899 -2.147 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.268 -2.273 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.951 -3.379 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.789 -1.836 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.019 -0.119 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.537 0.319 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.806 0.311 4.146 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.187 -3.886 6.584 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.056 -5.313 6.999 1.00 0.00 C ATOM 1323 C LYS A 84 -12.006 -6.218 5.759 1.00 0.00 C ATOM 1324 O LYS A 84 -12.809 -6.065 4.861 1.00 0.00 O ATOM 1325 CB LYS A 84 -13.314 -5.602 7.821 1.00 0.00 C ATOM 1326 CG LYS A 84 -14.541 -5.559 6.908 1.00 0.00 C ATOM 1327 CD LYS A 84 -15.811 -5.682 7.751 1.00 0.00 C ATOM 1328 CE LYS A 84 -17.037 -5.457 6.863 1.00 0.00 C ATOM 1329 NZ LYS A 84 -18.117 -5.035 7.798 1.00 0.00 N ATOM 0 H LYS A 84 -13.142 -3.529 6.546 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.145 -5.498 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.235 -6.580 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.416 -4.868 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.555 -4.626 6.344 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.495 -6.370 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.859 -6.668 8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.796 -4.951 8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.845 -4.692 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.310 -6.367 6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.992 -4.862 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.283 -5.786 8.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.832 -4.162 8.287 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.065 -7.133 5.741 1.00 0.00 N ATOM 1344 CA PRO A 85 -10.930 -8.056 4.589 1.00 0.00 C ATOM 1345 C PRO A 85 -12.204 -8.888 4.423 1.00 0.00 C ATOM 1346 O PRO A 85 -12.751 -9.401 5.380 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.745 -8.936 4.997 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.241 -8.478 6.380 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.099 -7.298 6.853 1.00 0.00 C ATOM 0 HA PRO A 85 -10.777 -7.551 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.047 -9.983 5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.946 -8.859 4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.302 -9.299 7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.193 -8.183 6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.600 -7.514 7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.502 -6.399 7.008 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.686 -9.024 3.216 1.00 0.00 N ATOM 1358 CA CYS A 86 -13.925 -9.822 2.996 1.00 0.00 C ATOM 1359 C CYS A 86 -13.878 -11.108 3.826 1.00 0.00 C ATOM 1360 O CYS A 86 -14.757 -11.290 4.652 1.00 0.00 O ATOM 1361 CB CYS A 86 -13.931 -10.150 1.504 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.637 -10.170 0.895 1.00 0.00 S ATOM 1363 OXT CYS A 86 -12.961 -11.887 3.622 1.00 0.00 O ATOM 0 H CYS A 86 -12.276 -8.618 2.375 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.822 -9.280 3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.347 -9.410 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.461 -11.118 1.332 1.00 0.00 H new TER 1368 CYS A 86