USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=22 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 77 LYS NZ :NH3+ -125:sc= -0.28 (180deg=-1.91!) USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0.255 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= -0.0405 USER MOD Set 2.2: A 22 LYS NZ :NH3+ 166:sc= 0.313 (180deg=0.1) USER MOD Single : A 1 THR N :NH3+ -153:sc= 0.0552 (180deg=-0.811) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.193) USER MOD Single : A 4 SER OG : rot -2:sc= -0.384 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 67:sc= 1.2 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -3.64! C(o=-4.9!,f=-3.6!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 31 MET CE :methyl -137:sc= -2.57 (180deg=-6.61!) USER MOD Single : A 33 HIS : no HD1:sc= -4.58! C(o=-4.6!,f=-5.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0.284 (180deg=0.264) USER MOD Single : A 43 ASN : amide:sc= -0.522 K(o=-0.52,f=-7.1!) 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+ 143:sc= -0.286 (180deg=-0.674) USER MOD Single : A 49 SER OG : rot 110:sc= -8.1! USER MOD Single : A 50 TYR OH : rot 151:sc= 1.47 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 55 GLN : amide:sc= -0.662 K(o=-0.66,f=-4.7!) USER MOD Single : A 60 THR OG1 : rot 78:sc= 0.122 USER MOD Single : A 65 LYS NZ :NH3+ -93:sc= -0.115 (180deg=-0.932) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.784! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 0:sc= -0.763 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 23.496 -7.242 -7.813 1.00 0.00 N ATOM 2 CA THR A 1 22.979 -5.846 -7.908 1.00 0.00 C ATOM 3 C THR A 1 21.508 -5.795 -7.488 1.00 0.00 C ATOM 4 O THR A 1 20.753 -6.719 -7.718 1.00 0.00 O ATOM 5 CB THR A 1 23.128 -5.467 -9.381 1.00 0.00 C ATOM 6 OG1 THR A 1 22.513 -6.461 -10.189 1.00 0.00 O ATOM 7 CG2 THR A 1 24.612 -5.363 -9.735 1.00 0.00 C ATOM 0 H1 THR A 1 24.522 -7.221 -7.646 1.00 0.00 H new ATOM 0 H2 THR A 1 23.027 -7.733 -7.026 1.00 0.00 H new ATOM 0 H3 THR A 1 23.300 -7.746 -8.701 1.00 0.00 H new ATOM 0 HA THR A 1 23.519 -5.162 -7.254 1.00 0.00 H new ATOM 0 HB THR A 1 22.647 -4.505 -9.560 1.00 0.00 H new ATOM 0 HG1 THR A 1 22.606 -6.218 -11.134 1.00 0.00 H new ATOM 0 HG21 THR A 1 24.717 -5.093 -10.786 1.00 0.00 H new ATOM 0 HG22 THR A 1 25.081 -4.599 -9.115 1.00 0.00 H new ATOM 0 HG23 THR A 1 25.097 -6.323 -9.557 1.00 0.00 H new ATOM 17 N LYS A 2 21.096 -4.720 -6.876 1.00 0.00 N ATOM 18 CA LYS A 2 19.675 -4.604 -6.441 1.00 0.00 C ATOM 19 C LYS A 2 19.451 -3.273 -5.723 1.00 0.00 C ATOM 20 O LYS A 2 19.653 -3.159 -4.529 1.00 0.00 O ATOM 21 CB LYS A 2 19.447 -5.777 -5.484 1.00 0.00 C ATOM 22 CG LYS A 2 20.643 -5.910 -4.538 1.00 0.00 C ATOM 23 CD LYS A 2 20.158 -6.394 -3.171 1.00 0.00 C ATOM 24 CE LYS A 2 20.974 -5.711 -2.069 1.00 0.00 C ATOM 25 NZ LYS A 2 22.341 -6.287 -2.190 1.00 0.00 N ATOM 0 H LYS A 2 21.683 -3.915 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 2 18.984 -4.632 -7.284 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.533 -5.619 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.313 -6.699 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.369 -6.612 -4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.150 -4.950 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.099 -6.167 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.263 -7.476 -3.098 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.988 -4.629 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.549 -5.906 -1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.875 -6.101 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.273 -7.314 -2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.832 -5.850 -2.996 1.00 0.00 H new ATOM 39 N ALA A 3 19.037 -2.264 -6.439 1.00 0.00 N ATOM 40 CA ALA A 3 18.801 -0.940 -5.795 1.00 0.00 C ATOM 41 C ALA A 3 17.430 -0.922 -5.117 1.00 0.00 C ATOM 42 O ALA A 3 16.460 -1.438 -5.640 1.00 0.00 O ATOM 43 CB ALA A 3 18.847 0.069 -6.942 1.00 0.00 C ATOM 0 H ALA A 3 18.852 -2.299 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 3 19.539 -0.715 -5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.681 1.073 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.822 0.025 -7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.070 -0.170 -7.668 1.00 0.00 H new ATOM 49 N SER A 4 17.338 -0.333 -3.957 1.00 0.00 N ATOM 50 CA SER A 4 16.027 -0.285 -3.249 1.00 0.00 C ATOM 51 C SER A 4 14.994 0.457 -4.100 1.00 0.00 C ATOM 52 O SER A 4 15.296 0.957 -5.165 1.00 0.00 O ATOM 53 CB SER A 4 16.303 0.479 -1.955 1.00 0.00 C ATOM 54 OG SER A 4 15.667 -0.188 -0.873 1.00 0.00 O ATOM 0 H SER A 4 18.112 0.117 -3.469 1.00 0.00 H new ATOM 0 HA SER A 4 15.625 -1.280 -3.057 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.377 0.542 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.933 1.501 -2.036 1.00 0.00 H new ATOM 0 HG SER A 4 15.177 -0.966 -1.211 1.00 0.00 H new ATOM 60 N CYS A 5 13.777 0.532 -3.637 1.00 0.00 N ATOM 61 CA CYS A 5 12.723 1.242 -4.418 1.00 0.00 C ATOM 62 C CYS A 5 12.511 2.649 -3.855 1.00 0.00 C ATOM 63 O CYS A 5 13.337 3.167 -3.129 1.00 0.00 O ATOM 64 CB CYS A 5 11.462 0.397 -4.238 1.00 0.00 C ATOM 65 SG CYS A 5 11.568 -1.083 -5.274 1.00 0.00 S ATOM 0 H CYS A 5 13.466 0.133 -2.752 1.00 0.00 H new ATOM 0 HA CYS A 5 12.990 1.356 -5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.349 0.113 -3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.581 0.979 -4.507 1.00 0.00 H new ATOM 70 N LYS A 6 11.412 3.272 -4.181 1.00 0.00 N ATOM 71 CA LYS A 6 11.151 4.646 -3.661 1.00 0.00 C ATOM 72 C LYS A 6 9.718 4.748 -3.133 1.00 0.00 C ATOM 73 O LYS A 6 8.765 4.590 -3.869 1.00 0.00 O ATOM 74 CB LYS A 6 11.344 5.569 -4.863 1.00 0.00 C ATOM 75 CG LYS A 6 12.808 5.540 -5.302 1.00 0.00 C ATOM 76 CD LYS A 6 13.618 6.513 -4.443 1.00 0.00 C ATOM 77 CE LYS A 6 14.613 7.268 -5.327 1.00 0.00 C ATOM 78 NZ LYS A 6 15.891 6.514 -5.197 1.00 0.00 N ATOM 0 H LYS A 6 10.683 2.890 -4.784 1.00 0.00 H new ATOM 0 HA LYS A 6 11.814 4.907 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.701 5.252 -5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.052 6.587 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.208 4.531 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.889 5.813 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.951 7.217 -3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.149 5.969 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.276 7.299 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.729 8.301 -4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.624 6.971 -5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.190 6.507 -4.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.752 5.536 -5.523 1.00 0.00 H new ATOM 92 N LEU A 7 9.559 5.011 -1.863 1.00 0.00 N ATOM 93 CA LEU A 7 8.187 5.124 -1.289 1.00 0.00 C ATOM 94 C LEU A 7 7.272 5.901 -2.248 1.00 0.00 C ATOM 95 O LEU A 7 7.348 7.112 -2.322 1.00 0.00 O ATOM 96 CB LEU A 7 8.368 5.896 0.020 1.00 0.00 C ATOM 97 CG LEU A 7 9.224 7.138 -0.234 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.400 8.392 0.059 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.447 7.106 0.685 1.00 0.00 C ATOM 0 H LEU A 7 10.320 5.152 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 7 7.725 4.150 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.397 6.186 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.843 5.260 0.767 1.00 0.00 H new ATOM 0 HG LEU A 7 9.549 7.152 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.009 9.278 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.526 8.413 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.077 8.380 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.059 7.990 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.121 7.095 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.034 6.211 0.479 1.00 0.00 H new ATOM 111 N PRO A 8 6.438 5.182 -2.960 1.00 0.00 N ATOM 112 CA PRO A 8 5.511 5.821 -3.924 1.00 0.00 C ATOM 113 C PRO A 8 4.564 6.786 -3.201 1.00 0.00 C ATOM 114 O PRO A 8 4.159 7.796 -3.744 1.00 0.00 O ATOM 115 CB PRO A 8 4.746 4.625 -4.500 1.00 0.00 C ATOM 116 CG PRO A 8 5.267 3.336 -3.837 1.00 0.00 C ATOM 117 CD PRO A 8 6.375 3.706 -2.844 1.00 0.00 C ATOM 0 HA PRO A 8 6.013 6.416 -4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.677 4.738 -4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.882 4.575 -5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.455 2.821 -3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.651 2.651 -4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.132 3.390 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.325 3.239 -3.104 1.00 0.00 H new ATOM 125 N VAL A 9 4.208 6.484 -1.982 1.00 0.00 N ATOM 126 CA VAL A 9 3.289 7.384 -1.227 1.00 0.00 C ATOM 127 C VAL A 9 3.899 7.744 0.131 1.00 0.00 C ATOM 128 O VAL A 9 4.880 7.165 0.554 1.00 0.00 O ATOM 129 CB VAL A 9 2.004 6.578 -1.043 1.00 0.00 C ATOM 130 CG1 VAL A 9 0.866 7.516 -0.634 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.642 5.884 -2.358 1.00 0.00 C ATOM 0 H VAL A 9 4.514 5.653 -1.476 1.00 0.00 H new ATOM 0 HA VAL A 9 3.107 8.322 -1.751 1.00 0.00 H new ATOM 0 HB VAL A 9 2.156 5.829 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.050 6.941 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.121 8.011 0.303 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.716 8.266 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.725 5.309 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.492 6.633 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.451 5.215 -2.651 1.00 0.00 H new ATOM 141 N LYS A 10 3.329 8.699 0.816 1.00 0.00 N ATOM 142 CA LYS A 10 3.881 9.097 2.144 1.00 0.00 C ATOM 143 C LYS A 10 2.974 8.595 3.271 1.00 0.00 C ATOM 144 O LYS A 10 3.146 8.948 4.421 1.00 0.00 O ATOM 145 CB LYS A 10 3.908 10.626 2.120 1.00 0.00 C ATOM 146 CG LYS A 10 5.043 11.129 3.011 1.00 0.00 C ATOM 147 CD LYS A 10 6.127 11.773 2.143 1.00 0.00 C ATOM 148 CE LYS A 10 7.430 10.984 2.287 1.00 0.00 C ATOM 149 NZ LYS A 10 8.491 12.019 2.425 1.00 0.00 N ATOM 0 H LYS A 10 2.506 9.220 0.514 1.00 0.00 H new ATOM 0 HA LYS A 10 4.869 8.673 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.047 10.982 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.954 11.023 2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.661 11.853 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.464 10.302 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.812 11.788 1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.281 12.809 2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.401 10.329 3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.607 10.351 1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.416 11.556 2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.499 12.623 1.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.300 12.602 3.265 1.00 0.00 H new ATOM 163 N LYS A 11 2.013 7.774 2.952 1.00 0.00 N ATOM 164 CA LYS A 11 1.100 7.251 4.008 1.00 0.00 C ATOM 165 C LYS A 11 0.399 5.980 3.522 1.00 0.00 C ATOM 166 O LYS A 11 -0.759 5.750 3.808 1.00 0.00 O ATOM 167 CB LYS A 11 0.084 8.368 4.243 1.00 0.00 C ATOM 168 CG LYS A 11 -0.247 8.452 5.735 1.00 0.00 C ATOM 169 CD LYS A 11 -0.821 9.835 6.053 1.00 0.00 C ATOM 170 CE LYS A 11 -1.269 9.877 7.516 1.00 0.00 C ATOM 171 NZ LYS A 11 -2.033 11.149 7.649 1.00 0.00 N ATOM 0 H LYS A 11 1.820 7.442 2.007 1.00 0.00 H new ATOM 0 HA LYS A 11 1.634 6.988 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.487 9.319 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.822 8.176 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.966 7.678 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.650 8.274 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.070 10.603 5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.664 10.050 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.890 9.016 7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.414 9.858 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.373 11.249 8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.415 11.952 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.845 11.136 6.999 1.00 0.00 H new ATOM 185 N ALA A 12 1.090 5.154 2.786 1.00 0.00 N ATOM 186 CA ALA A 12 0.460 3.901 2.280 1.00 0.00 C ATOM 187 C ALA A 12 0.663 2.762 3.283 1.00 0.00 C ATOM 188 O ALA A 12 1.763 2.508 3.733 1.00 0.00 O ATOM 189 CB ALA A 12 1.186 3.594 0.971 1.00 0.00 C ATOM 0 H ALA A 12 2.063 5.292 2.513 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.615 4.010 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.779 2.682 0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.049 4.422 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.249 3.458 1.168 1.00 0.00 H new ATOM 195 N THR A 13 -0.388 2.071 3.632 1.00 0.00 N ATOM 196 CA THR A 13 -0.249 0.945 4.599 1.00 0.00 C ATOM 197 C THR A 13 -0.240 -0.386 3.847 1.00 0.00 C ATOM 198 O THR A 13 -1.145 -0.692 3.097 1.00 0.00 O ATOM 199 CB THR A 13 -1.477 1.042 5.506 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.360 2.185 6.342 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.576 -0.216 6.369 1.00 0.00 C ATOM 0 H THR A 13 -1.335 2.237 3.290 1.00 0.00 H new ATOM 0 HA THR A 13 0.678 0.999 5.169 1.00 0.00 H new ATOM 0 HB THR A 13 -2.374 1.132 4.894 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.148 2.248 6.922 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.451 -0.146 7.015 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.668 -1.092 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.679 -0.308 6.982 1.00 0.00 H new ATOM 209 N VAL A 14 0.776 -1.180 4.038 1.00 0.00 N ATOM 210 CA VAL A 14 0.837 -2.489 3.326 1.00 0.00 C ATOM 211 C VAL A 14 0.815 -3.646 4.330 1.00 0.00 C ATOM 212 O VAL A 14 0.501 -3.469 5.490 1.00 0.00 O ATOM 213 CB VAL A 14 2.158 -2.463 2.556 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.226 -1.201 1.696 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.327 -2.471 3.544 1.00 0.00 C ATOM 0 H VAL A 14 1.565 -0.981 4.654 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.015 -2.636 2.663 1.00 0.00 H new ATOM 0 HB VAL A 14 2.219 -3.342 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.168 -1.184 1.148 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.396 -1.197 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.163 -0.321 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.268 -2.452 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.265 -1.594 4.188 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.281 -3.373 4.155 1.00 0.00 H new ATOM 225 N VAL A 15 1.142 -4.831 3.890 1.00 0.00 N ATOM 226 CA VAL A 15 1.133 -6.000 4.815 1.00 0.00 C ATOM 227 C VAL A 15 2.365 -6.877 4.578 1.00 0.00 C ATOM 228 O VAL A 15 2.308 -7.867 3.877 1.00 0.00 O ATOM 229 CB VAL A 15 -0.142 -6.769 4.464 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.148 -8.115 5.194 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.365 -5.954 4.890 1.00 0.00 C ATOM 0 H VAL A 15 1.415 -5.040 2.930 1.00 0.00 H new ATOM 0 HA VAL A 15 1.157 -5.696 5.862 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.175 -6.940 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.057 -8.661 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.721 -8.698 4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.113 -7.945 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.273 -6.503 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.330 -5.781 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.364 -4.997 4.369 1.00 0.00 H new ATOM 241 N TYR A 16 3.478 -6.527 5.161 1.00 0.00 N ATOM 242 CA TYR A 16 4.706 -7.348 4.968 1.00 0.00 C ATOM 243 C TYR A 16 4.738 -8.490 5.991 1.00 0.00 C ATOM 244 O TYR A 16 4.462 -8.297 7.158 1.00 0.00 O ATOM 245 CB TYR A 16 5.869 -6.385 5.200 1.00 0.00 C ATOM 246 CG TYR A 16 7.146 -6.998 4.672 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.181 -7.536 3.381 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.292 -7.027 5.474 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.363 -8.103 2.890 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.474 -7.594 4.984 1.00 0.00 C ATOM 251 CZ TYR A 16 9.511 -8.132 3.692 1.00 0.00 C ATOM 252 OH TYR A 16 10.677 -8.690 3.210 1.00 0.00 O ATOM 0 H TYR A 16 3.590 -5.710 5.761 1.00 0.00 H new ATOM 0 HA TYR A 16 4.750 -7.804 3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.675 -5.436 4.699 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.970 -6.169 6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.296 -7.514 2.763 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.265 -6.612 6.471 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.390 -8.518 1.893 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.359 -7.617 5.603 1.00 0.00 H new ATOM 0 HH TYR A 16 11.019 -8.145 2.471 1.00 0.00 H new ATOM 262 N GLN A 17 5.071 -9.675 5.560 1.00 0.00 N ATOM 263 CA GLN A 17 5.120 -10.827 6.503 1.00 0.00 C ATOM 264 C GLN A 17 3.820 -10.912 7.308 1.00 0.00 C ATOM 265 O GLN A 17 3.798 -11.401 8.420 1.00 0.00 O ATOM 266 CB GLN A 17 6.306 -10.537 7.420 1.00 0.00 C ATOM 267 CG GLN A 17 7.596 -11.022 6.755 1.00 0.00 C ATOM 268 CD GLN A 17 8.447 -11.778 7.776 1.00 0.00 C ATOM 269 OE1 GLN A 17 8.726 -12.947 7.605 1.00 0.00 O ATOM 270 NE2 GLN A 17 8.876 -11.154 8.839 1.00 0.00 N ATOM 0 H GLN A 17 5.312 -9.896 4.594 1.00 0.00 H new ATOM 0 HA GLN A 17 5.230 -11.780 5.985 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.369 -9.468 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.169 -11.037 8.379 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.360 -11.671 5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.154 -10.174 6.359 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.642 -10.172 8.983 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.445 -11.649 9.526 1.00 0.00 H new ATOM 279 N GLY A 18 2.737 -10.445 6.753 1.00 0.00 N ATOM 280 CA GLY A 18 1.438 -10.504 7.481 1.00 0.00 C ATOM 281 C GLY A 18 1.380 -9.399 8.539 1.00 0.00 C ATOM 282 O GLY A 18 0.600 -9.460 9.469 1.00 0.00 O ATOM 0 H GLY A 18 2.695 -10.024 5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.612 -10.390 6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.321 -11.479 7.955 1.00 0.00 H new ATOM 286 N GLU A 19 2.194 -8.388 8.409 1.00 0.00 N ATOM 287 CA GLU A 19 2.176 -7.283 9.413 1.00 0.00 C ATOM 288 C GLU A 19 1.838 -5.954 8.731 1.00 0.00 C ATOM 289 O GLU A 19 2.462 -5.567 7.763 1.00 0.00 O ATOM 290 CB GLU A 19 3.591 -7.244 9.990 1.00 0.00 C ATOM 291 CG GLU A 19 3.734 -8.317 11.072 1.00 0.00 C ATOM 292 CD GLU A 19 3.244 -7.762 12.412 1.00 0.00 C ATOM 293 OE1 GLU A 19 2.043 -7.624 12.570 1.00 0.00 O ATOM 294 OE2 GLU A 19 4.080 -7.487 13.257 1.00 0.00 O ATOM 0 H GLU A 19 2.870 -8.278 7.653 1.00 0.00 H new ATOM 0 HA GLU A 19 1.426 -7.443 10.187 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.322 -7.411 9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.796 -6.260 10.411 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.157 -9.201 10.800 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.775 -8.628 11.155 1.00 0.00 H new ATOM 301 N ARG A 20 0.856 -5.251 9.227 1.00 0.00 N ATOM 302 CA ARG A 20 0.483 -3.949 8.607 1.00 0.00 C ATOM 303 C ARG A 20 1.529 -2.882 8.945 1.00 0.00 C ATOM 304 O ARG A 20 1.899 -2.704 10.089 1.00 0.00 O ATOM 305 CB ARG A 20 -0.869 -3.588 9.224 1.00 0.00 C ATOM 306 CG ARG A 20 -1.954 -4.499 8.646 1.00 0.00 C ATOM 307 CD ARG A 20 -2.771 -5.112 9.786 1.00 0.00 C ATOM 308 NE ARG A 20 -3.338 -6.368 9.219 1.00 0.00 N ATOM 309 CZ ARG A 20 -4.284 -7.002 9.857 1.00 0.00 C ATOM 310 NH1 ARG A 20 -4.309 -6.998 11.161 1.00 0.00 N ATOM 311 NH2 ARG A 20 -5.204 -7.643 9.189 1.00 0.00 N ATOM 0 H ARG A 20 0.296 -5.523 10.035 1.00 0.00 H new ATOM 0 HA ARG A 20 0.432 -4.010 7.520 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.827 -3.697 10.308 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.108 -2.545 9.018 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.606 -3.930 7.983 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.499 -5.287 8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.145 -5.318 10.654 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.560 -4.436 10.115 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.987 -6.732 8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.589 -6.499 11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.049 -7.494 11.658 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.183 -7.648 8.169 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.944 -8.139 9.687 1.00 0.00 H new ATOM 325 N VAL A 21 2.009 -2.172 7.960 1.00 0.00 N ATOM 326 CA VAL A 21 3.031 -1.120 8.230 1.00 0.00 C ATOM 327 C VAL A 21 2.928 -0.004 7.189 1.00 0.00 C ATOM 328 O VAL A 21 2.469 -0.215 6.084 1.00 0.00 O ATOM 329 CB VAL A 21 4.377 -1.837 8.114 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.586 -2.738 9.333 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.392 -2.689 6.843 1.00 0.00 C ATOM 0 H VAL A 21 1.738 -2.274 6.982 1.00 0.00 H new ATOM 0 HA VAL A 21 2.898 -0.656 9.208 1.00 0.00 H new ATOM 0 HB VAL A 21 5.177 -1.099 8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.546 -3.248 9.248 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.576 -2.132 10.239 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.786 -3.476 9.381 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.351 -3.201 6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.590 -3.426 6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.245 -2.048 5.974 1.00 0.00 H new ATOM 341 N LYS A 22 3.352 1.181 7.531 1.00 0.00 N ATOM 342 CA LYS A 22 3.279 2.309 6.559 1.00 0.00 C ATOM 343 C LYS A 22 4.538 2.340 5.688 1.00 0.00 C ATOM 344 O LYS A 22 5.607 2.703 6.136 1.00 0.00 O ATOM 345 CB LYS A 22 3.191 3.569 7.420 1.00 0.00 C ATOM 346 CG LYS A 22 1.752 3.759 7.901 1.00 0.00 C ATOM 347 CD LYS A 22 0.950 4.509 6.836 1.00 0.00 C ATOM 348 CE LYS A 22 0.005 5.502 7.515 1.00 0.00 C ATOM 349 NZ LYS A 22 -1.332 5.228 6.919 1.00 0.00 N ATOM 0 H LYS A 22 3.746 1.418 8.442 1.00 0.00 H new ATOM 0 HA LYS A 22 2.429 2.217 5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.863 3.486 8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.511 4.438 6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.294 2.790 8.101 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.742 4.316 8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.625 5.036 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.380 3.804 6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.008 5.360 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.316 6.531 7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.068 5.691 7.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.362 5.599 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.501 4.202 6.903 1.00 0.00 H new ATOM 363 N ILE A 23 4.420 1.963 4.443 1.00 0.00 N ATOM 364 CA ILE A 23 5.611 1.971 3.545 1.00 0.00 C ATOM 365 C ILE A 23 6.373 3.293 3.687 1.00 0.00 C ATOM 366 O ILE A 23 7.581 3.338 3.573 1.00 0.00 O ATOM 367 CB ILE A 23 5.041 1.830 2.134 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.184 1.582 1.147 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.306 3.116 1.750 1.00 0.00 C ATOM 370 CD1 ILE A 23 5.623 1.497 -0.274 1.00 0.00 C ATOM 0 H ILE A 23 3.551 1.650 4.009 1.00 0.00 H new ATOM 0 HA ILE A 23 6.314 1.173 3.783 1.00 0.00 H new ATOM 0 HB ILE A 23 4.345 0.992 2.104 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.916 2.387 1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.703 0.658 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.899 3.016 0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.493 3.295 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.001 3.955 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.437 1.320 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.907 0.677 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.124 2.433 -0.525 1.00 0.00 H new ATOM 382 N GLN A 24 5.674 4.368 3.932 1.00 0.00 N ATOM 383 CA GLN A 24 6.359 5.685 4.078 1.00 0.00 C ATOM 384 C GLN A 24 7.216 5.698 5.347 1.00 0.00 C ATOM 385 O GLN A 24 7.986 6.611 5.578 1.00 0.00 O ATOM 386 CB GLN A 24 5.228 6.707 4.182 1.00 0.00 C ATOM 387 CG GLN A 24 4.391 6.418 5.430 1.00 0.00 C ATOM 388 CD GLN A 24 4.376 7.652 6.332 1.00 0.00 C ATOM 389 OE1 GLN A 24 3.242 8.075 6.819 1.00 0.00 O flip ATOM 390 NE2 GLN A 24 5.406 8.239 6.596 1.00 0.00 N flip ATOM 0 H GLN A 24 4.660 4.392 4.037 1.00 0.00 H new ATOM 0 HA GLN A 24 7.027 5.900 3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.639 7.715 4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.600 6.662 3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.374 6.151 5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.805 5.566 5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.293 7.909 6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.384 9.062 7.198 1.00 0.00 H new ATOM 399 N GLU A 25 7.091 4.694 6.171 1.00 0.00 N ATOM 400 CA GLU A 25 7.903 4.649 7.422 1.00 0.00 C ATOM 401 C GLU A 25 8.817 3.422 7.412 1.00 0.00 C ATOM 402 O GLU A 25 10.024 3.536 7.329 1.00 0.00 O ATOM 403 CB GLU A 25 6.883 4.551 8.556 1.00 0.00 C ATOM 404 CG GLU A 25 6.288 5.935 8.829 1.00 0.00 C ATOM 405 CD GLU A 25 5.793 6.002 10.274 1.00 0.00 C ATOM 406 OE1 GLU A 25 6.626 6.048 11.164 1.00 0.00 O ATOM 407 OE2 GLU A 25 4.588 6.004 10.468 1.00 0.00 O ATOM 0 H GLU A 25 6.462 3.903 6.033 1.00 0.00 H new ATOM 0 HA GLU A 25 8.545 5.523 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.092 3.850 8.289 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.360 4.165 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.039 6.706 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.465 6.130 8.142 1.00 0.00 H new ATOM 414 N LYS A 26 8.253 2.246 7.489 1.00 0.00 N ATOM 415 CA LYS A 26 9.094 1.015 7.478 1.00 0.00 C ATOM 416 C LYS A 26 10.157 1.126 6.383 1.00 0.00 C ATOM 417 O LYS A 26 11.267 0.654 6.530 1.00 0.00 O ATOM 418 CB LYS A 26 8.127 -0.128 7.172 1.00 0.00 C ATOM 419 CG LYS A 26 8.914 -1.426 6.980 1.00 0.00 C ATOM 420 CD LYS A 26 9.760 -1.701 8.225 1.00 0.00 C ATOM 421 CE LYS A 26 10.390 -3.092 8.120 1.00 0.00 C ATOM 422 NZ LYS A 26 9.673 -3.917 9.131 1.00 0.00 N ATOM 0 H LYS A 26 7.248 2.085 7.559 1.00 0.00 H new ATOM 0 HA LYS A 26 9.616 0.859 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.412 -0.241 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.553 0.098 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.230 -2.255 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.555 -1.348 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.539 -0.944 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.140 -1.638 9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.271 -3.504 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.460 -3.057 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.050 -4.886 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.809 -3.504 10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.658 -3.938 8.906 1.00 0.00 H new ATOM 436 N PHE A 27 9.823 1.753 5.289 1.00 0.00 N ATOM 437 CA PHE A 27 10.809 1.904 4.182 1.00 0.00 C ATOM 438 C PHE A 27 11.131 3.386 3.966 1.00 0.00 C ATOM 439 O PHE A 27 11.248 3.850 2.850 1.00 0.00 O ATOM 440 CB PHE A 27 10.113 1.321 2.951 1.00 0.00 C ATOM 441 CG PHE A 27 9.963 -0.172 3.118 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.096 -0.974 3.296 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.690 -0.756 3.096 1.00 0.00 C ATOM 444 CE1 PHE A 27 10.959 -2.359 3.449 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.552 -2.141 3.250 1.00 0.00 C ATOM 446 CZ PHE A 27 9.686 -2.942 3.427 1.00 0.00 C ATOM 0 H PHE A 27 8.908 2.168 5.114 1.00 0.00 H new ATOM 0 HA PHE A 27 11.752 1.400 4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.135 1.783 2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.692 1.541 2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.078 -0.524 3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.815 -0.138 2.960 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.834 -2.977 3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.570 -2.591 3.232 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.579 -4.010 3.547 1.00 0.00 H new ATOM 456 N LYS A 28 11.272 4.132 5.030 1.00 0.00 N ATOM 457 CA LYS A 28 11.585 5.584 4.888 1.00 0.00 C ATOM 458 C LYS A 28 12.635 5.793 3.795 1.00 0.00 C ATOM 459 O LYS A 28 12.629 6.788 3.097 1.00 0.00 O ATOM 460 CB LYS A 28 12.138 6.002 6.251 1.00 0.00 C ATOM 461 CG LYS A 28 11.503 7.327 6.677 1.00 0.00 C ATOM 462 CD LYS A 28 11.092 7.244 8.148 1.00 0.00 C ATOM 463 CE LYS A 28 11.293 8.609 8.813 1.00 0.00 C ATOM 464 NZ LYS A 28 11.742 8.299 10.199 1.00 0.00 N ATOM 0 H LYS A 28 11.184 3.799 5.990 1.00 0.00 H new ATOM 0 HA LYS A 28 10.711 6.171 4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.927 5.231 6.992 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.222 6.106 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.209 8.145 6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.633 7.542 6.057 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.049 6.939 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.686 6.487 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.036 9.202 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.368 9.186 8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.901 9.186 10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.011 7.740 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.628 7.755 10.163 1.00 0.00 H new ATOM 478 N ASN A 29 13.534 4.861 3.638 1.00 0.00 N ATOM 479 CA ASN A 29 14.583 5.005 2.588 1.00 0.00 C ATOM 480 C ASN A 29 14.263 4.101 1.394 1.00 0.00 C ATOM 481 O ASN A 29 15.137 3.484 0.819 1.00 0.00 O ATOM 482 CB ASN A 29 15.881 4.564 3.263 1.00 0.00 C ATOM 483 CG ASN A 29 16.182 5.491 4.442 1.00 0.00 C ATOM 484 OD1 ASN A 29 16.616 5.045 5.484 1.00 0.00 O ATOM 485 ND2 ASN A 29 15.967 6.772 4.319 1.00 0.00 N ATOM 0 H ASN A 29 13.588 4.006 4.191 1.00 0.00 H new ATOM 0 HA ASN A 29 14.649 6.024 2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.792 3.534 3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.703 4.589 2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.164 7.399 5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.602 7.146 3.443 1.00 0.00 H new ATOM 492 N GLY A 30 13.016 4.020 1.017 1.00 0.00 N ATOM 493 CA GLY A 30 12.642 3.157 -0.140 1.00 0.00 C ATOM 494 C GLY A 30 12.476 1.711 0.329 1.00 0.00 C ATOM 495 O GLY A 30 12.760 1.378 1.462 1.00 0.00 O ATOM 0 H GLY A 30 12.241 4.513 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.714 3.513 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.410 3.214 -0.912 1.00 0.00 H new ATOM 499 N MET A 31 12.016 0.846 -0.535 1.00 0.00 N ATOM 500 CA MET A 31 11.833 -0.579 -0.138 1.00 0.00 C ATOM 501 C MET A 31 13.006 -1.422 -0.642 1.00 0.00 C ATOM 502 O MET A 31 13.583 -1.146 -1.675 1.00 0.00 O ATOM 503 CB MET A 31 10.528 -1.014 -0.806 1.00 0.00 C ATOM 504 CG MET A 31 9.387 -0.116 -0.325 1.00 0.00 C ATOM 505 SD MET A 31 7.850 -0.597 -1.154 1.00 0.00 S ATOM 506 CE MET A 31 7.338 -1.857 0.038 1.00 0.00 C ATOM 0 H MET A 31 11.759 1.065 -1.498 1.00 0.00 H new ATOM 0 HA MET A 31 11.795 -0.705 0.944 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.623 -0.951 -1.890 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.313 -2.055 -0.565 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.272 -0.203 0.756 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.617 0.928 -0.539 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.968 -2.733 -0.495 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.190 -2.141 0.656 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.547 -1.457 0.673 1.00 0.00 H new ATOM 516 N LEU A 32 13.364 -2.449 0.079 1.00 0.00 N ATOM 517 CA LEU A 32 14.500 -3.307 -0.361 1.00 0.00 C ATOM 518 C LEU A 32 14.186 -3.946 -1.716 1.00 0.00 C ATOM 519 O LEU A 32 13.047 -4.217 -2.036 1.00 0.00 O ATOM 520 CB LEU A 32 14.631 -4.380 0.719 1.00 0.00 C ATOM 521 CG LEU A 32 15.071 -3.730 2.032 1.00 0.00 C ATOM 522 CD1 LEU A 32 14.762 -4.670 3.198 1.00 0.00 C ATOM 523 CD2 LEU A 32 16.576 -3.457 1.982 1.00 0.00 C ATOM 0 H LEU A 32 12.919 -2.731 0.953 1.00 0.00 H new ATOM 0 HA LEU A 32 15.422 -2.738 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.679 -4.892 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.357 -5.133 0.412 1.00 0.00 H new ATOM 0 HG LEU A 32 14.533 -2.792 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.076 -4.206 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.690 -4.867 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.299 -5.609 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.893 -2.994 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.112 -4.396 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.797 -2.787 1.151 1.00 0.00 H new ATOM 535 N HIS A 33 15.191 -4.190 -2.510 1.00 0.00 N ATOM 536 CA HIS A 33 14.953 -4.810 -3.844 1.00 0.00 C ATOM 537 C HIS A 33 14.374 -6.218 -3.677 1.00 0.00 C ATOM 538 O HIS A 33 14.871 -7.016 -2.908 1.00 0.00 O ATOM 539 CB HIS A 33 16.330 -4.870 -4.503 1.00 0.00 C ATOM 540 CG HIS A 33 16.249 -5.686 -5.764 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.525 -5.270 -6.869 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.797 -6.897 -6.108 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.656 -6.215 -7.819 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.421 -7.229 -7.406 1.00 0.00 N ATOM 0 H HIS A 33 16.167 -3.987 -2.293 1.00 0.00 H new ATOM 0 HA HIS A 33 14.240 -4.243 -4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.680 -3.863 -4.731 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.054 -5.311 -3.818 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.424 -7.500 -5.468 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.198 -6.160 -8.796 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.675 -8.067 -7.930 1.00 0.00 H new ATOM 552 N GLY A 34 13.326 -6.527 -4.391 1.00 0.00 N ATOM 553 CA GLY A 34 12.716 -7.883 -4.273 1.00 0.00 C ATOM 554 C GLY A 34 11.711 -7.904 -3.116 1.00 0.00 C ATOM 555 O GLY A 34 10.837 -8.745 -3.059 1.00 0.00 O ATOM 0 H GLY A 34 12.866 -5.900 -5.051 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.217 -8.149 -5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.494 -8.628 -4.104 1.00 0.00 H new ATOM 559 N ASP A 35 11.827 -6.987 -2.192 1.00 0.00 N ATOM 560 CA ASP A 35 10.876 -6.961 -1.043 1.00 0.00 C ATOM 561 C ASP A 35 9.433 -7.055 -1.548 1.00 0.00 C ATOM 562 O ASP A 35 9.012 -6.296 -2.398 1.00 0.00 O ATOM 563 CB ASP A 35 11.117 -5.614 -0.361 1.00 0.00 C ATOM 564 CG ASP A 35 10.754 -5.717 1.121 1.00 0.00 C ATOM 565 OD1 ASP A 35 11.246 -6.626 1.768 1.00 0.00 O ATOM 566 OD2 ASP A 35 9.991 -4.884 1.582 1.00 0.00 O ATOM 0 H ASP A 35 12.538 -6.256 -2.183 1.00 0.00 H new ATOM 0 HA ASP A 35 11.029 -7.798 -0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.161 -5.321 -0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.517 -4.840 -0.840 1.00 0.00 H new ATOM 571 N LYS A 36 8.671 -7.980 -1.030 1.00 0.00 N ATOM 572 CA LYS A 36 7.256 -8.119 -1.482 1.00 0.00 C ATOM 573 C LYS A 36 6.301 -7.604 -0.403 1.00 0.00 C ATOM 574 O LYS A 36 6.348 -8.027 0.734 1.00 0.00 O ATOM 575 CB LYS A 36 7.051 -9.617 -1.700 1.00 0.00 C ATOM 576 CG LYS A 36 7.462 -9.989 -3.126 1.00 0.00 C ATOM 577 CD LYS A 36 6.492 -11.035 -3.682 1.00 0.00 C ATOM 578 CE LYS A 36 7.241 -12.345 -3.930 1.00 0.00 C ATOM 579 NZ LYS A 36 6.979 -12.675 -5.358 1.00 0.00 N ATOM 0 H LYS A 36 8.966 -8.645 -0.315 1.00 0.00 H new ATOM 0 HA LYS A 36 7.057 -7.543 -2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.642 -10.184 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.007 -9.880 -1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.459 -9.102 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.479 -10.381 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.675 -11.198 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.047 -10.677 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.308 -12.231 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.883 -13.135 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.461 -13.563 -5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.956 -12.784 -5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.337 -11.908 -5.963 1.00 0.00 H new ATOM 593 N VAL A 37 5.433 -6.700 -0.756 1.00 0.00 N ATOM 594 CA VAL A 37 4.467 -6.159 0.244 1.00 0.00 C ATOM 595 C VAL A 37 3.084 -6.000 -0.406 1.00 0.00 C ATOM 596 O VAL A 37 2.972 -5.679 -1.572 1.00 0.00 O ATOM 597 CB VAL A 37 5.060 -4.805 0.671 1.00 0.00 C ATOM 598 CG1 VAL A 37 4.510 -3.673 -0.205 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.704 -4.539 2.136 1.00 0.00 C ATOM 0 H VAL A 37 5.349 -6.310 -1.695 1.00 0.00 H new ATOM 0 HA VAL A 37 4.327 -6.814 1.104 1.00 0.00 H new ATOM 0 HB VAL A 37 6.143 -4.840 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.942 -2.724 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.771 -3.859 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.425 -3.630 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.122 -3.581 2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.620 -4.515 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.116 -5.332 2.760 1.00 0.00 H new ATOM 609 N SER A 38 2.035 -6.232 0.334 1.00 0.00 N ATOM 610 CA SER A 38 0.668 -6.102 -0.253 1.00 0.00 C ATOM 611 C SER A 38 0.000 -4.803 0.212 1.00 0.00 C ATOM 612 O SER A 38 0.134 -4.398 1.348 1.00 0.00 O ATOM 613 CB SER A 38 -0.100 -7.314 0.274 1.00 0.00 C ATOM 614 OG SER A 38 0.825 -8.327 0.651 1.00 0.00 O ATOM 0 H SER A 38 2.063 -6.505 1.316 1.00 0.00 H new ATOM 0 HA SER A 38 0.692 -6.068 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.712 -7.028 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.778 -7.691 -0.492 1.00 0.00 H new ATOM 0 HG SER A 38 0.337 -9.106 0.991 1.00 0.00 H new ATOM 620 N PHE A 39 -0.726 -4.153 -0.658 1.00 0.00 N ATOM 621 CA PHE A 39 -1.410 -2.886 -0.264 1.00 0.00 C ATOM 622 C PHE A 39 -2.890 -3.159 0.018 1.00 0.00 C ATOM 623 O PHE A 39 -3.477 -4.061 -0.539 1.00 0.00 O ATOM 624 CB PHE A 39 -1.255 -1.956 -1.466 1.00 0.00 C ATOM 625 CG PHE A 39 0.151 -1.407 -1.498 1.00 0.00 C ATOM 626 CD1 PHE A 39 1.181 -2.162 -2.071 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.424 -0.147 -0.954 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.487 -1.656 -2.098 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.729 0.360 -0.983 1.00 0.00 C ATOM 630 CZ PHE A 39 2.761 -0.395 -1.554 1.00 0.00 C ATOM 0 H PHE A 39 -0.875 -4.444 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.985 -2.450 0.640 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.467 -2.497 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.975 -1.140 -1.403 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.969 -3.134 -2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.372 0.434 -0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.283 -2.238 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.940 1.333 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.768 -0.005 -1.575 1.00 0.00 H new ATOM 640 N PHE A 40 -3.501 -2.393 0.875 1.00 0.00 N ATOM 641 CA PHE A 40 -4.941 -2.634 1.176 1.00 0.00 C ATOM 642 C PHE A 40 -5.824 -2.035 0.080 1.00 0.00 C ATOM 643 O PHE A 40 -5.637 -0.910 -0.340 1.00 0.00 O ATOM 644 CB PHE A 40 -5.197 -1.939 2.513 1.00 0.00 C ATOM 645 CG PHE A 40 -4.940 -2.912 3.638 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.803 -3.997 3.836 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.838 -2.731 4.481 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.562 -4.901 4.878 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.597 -3.635 5.523 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.460 -4.720 5.721 1.00 0.00 C ATOM 0 H PHE A 40 -3.072 -1.616 1.378 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.174 -3.698 1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.548 -1.069 2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.224 -1.577 2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.654 -4.136 3.186 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.173 -1.894 4.328 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -6.227 -5.738 5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.746 -3.496 6.173 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.275 -5.417 6.525 1.00 0.00 H new ATOM 660 N CYS A 41 -6.792 -2.780 -0.381 1.00 0.00 N ATOM 661 CA CYS A 41 -7.700 -2.266 -1.446 1.00 0.00 C ATOM 662 C CYS A 41 -9.152 -2.596 -1.092 1.00 0.00 C ATOM 663 O CYS A 41 -9.418 -3.418 -0.238 1.00 0.00 O ATOM 664 CB CYS A 41 -7.278 -3.002 -2.717 1.00 0.00 C ATOM 665 SG CYS A 41 -6.741 -1.802 -3.962 1.00 0.00 S ATOM 0 H CYS A 41 -6.994 -3.728 -0.064 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.634 -1.184 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.469 -3.698 -2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.110 -3.592 -3.101 1.00 0.00 H new ATOM 670 N LYS A 42 -10.094 -1.962 -1.735 1.00 0.00 N ATOM 671 CA LYS A 42 -11.524 -2.251 -1.421 1.00 0.00 C ATOM 672 C LYS A 42 -12.236 -2.847 -2.635 1.00 0.00 C ATOM 673 O LYS A 42 -11.931 -2.532 -3.768 1.00 0.00 O ATOM 674 CB LYS A 42 -12.136 -0.899 -1.059 1.00 0.00 C ATOM 675 CG LYS A 42 -11.900 0.090 -2.202 1.00 0.00 C ATOM 676 CD LYS A 42 -12.915 1.232 -2.111 1.00 0.00 C ATOM 677 CE LYS A 42 -12.484 2.214 -1.018 1.00 0.00 C ATOM 678 NZ LYS A 42 -13.750 2.622 -0.347 1.00 0.00 N ATOM 0 H LYS A 42 -9.938 -1.261 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.621 -2.976 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.205 -1.009 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.691 -0.521 -0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.886 0.486 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.995 -0.418 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.986 1.747 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.905 0.835 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.797 1.744 -0.314 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.967 3.075 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.550 3.371 0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.420 2.979 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.165 1.802 0.139 1.00 0.00 H new ATOM 692 N ASN A 43 -13.188 -3.705 -2.399 1.00 0.00 N ATOM 693 CA ASN A 43 -13.936 -4.329 -3.529 1.00 0.00 C ATOM 694 C ASN A 43 -15.354 -3.752 -3.604 1.00 0.00 C ATOM 695 O ASN A 43 -16.031 -3.616 -2.605 1.00 0.00 O ATOM 696 CB ASN A 43 -13.982 -5.822 -3.196 1.00 0.00 C ATOM 697 CG ASN A 43 -14.127 -6.629 -4.487 1.00 0.00 C ATOM 698 OD1 ASN A 43 -15.224 -6.934 -4.908 1.00 0.00 O ATOM 699 ND2 ASN A 43 -13.055 -6.992 -5.137 1.00 0.00 N ATOM 0 H ASN A 43 -13.483 -4.003 -1.469 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.464 -4.141 -4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.073 -6.116 -2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.818 -6.031 -2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.139 -7.532 -5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.133 -6.736 -4.784 1.00 0.00 H new ATOM 706 N LYS A 44 -15.806 -3.407 -4.779 1.00 0.00 N ATOM 707 CA LYS A 44 -17.177 -2.834 -4.913 1.00 0.00 C ATOM 708 C LYS A 44 -18.219 -3.952 -5.017 1.00 0.00 C ATOM 709 O LYS A 44 -19.329 -3.824 -4.538 1.00 0.00 O ATOM 710 CB LYS A 44 -17.138 -2.014 -6.205 1.00 0.00 C ATOM 711 CG LYS A 44 -17.403 -0.541 -5.885 1.00 0.00 C ATOM 712 CD LYS A 44 -17.608 0.236 -7.187 1.00 0.00 C ATOM 713 CE LYS A 44 -18.739 1.252 -7.004 1.00 0.00 C ATOM 714 NZ LYS A 44 -19.522 1.187 -8.270 1.00 0.00 N ATOM 0 H LYS A 44 -15.286 -3.497 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.454 -2.228 -4.051 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.167 -2.123 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.886 -2.385 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.285 -0.449 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -16.565 -0.123 -5.328 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.687 0.748 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -17.850 -0.451 -7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.359 1.002 -6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.346 2.254 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -20.316 1.856 -8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.908 1.436 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.889 0.223 -8.402 1.00 0.00 H new ATOM 728 N GLU A 45 -17.875 -5.047 -5.640 1.00 0.00 N ATOM 729 CA GLU A 45 -18.852 -6.168 -5.773 1.00 0.00 C ATOM 730 C GLU A 45 -19.015 -6.893 -4.434 1.00 0.00 C ATOM 731 O GLU A 45 -20.112 -7.199 -4.013 1.00 0.00 O ATOM 732 CB GLU A 45 -18.245 -7.104 -6.819 1.00 0.00 C ATOM 733 CG GLU A 45 -19.363 -7.707 -7.673 1.00 0.00 C ATOM 734 CD GLU A 45 -18.926 -9.075 -8.199 1.00 0.00 C ATOM 735 OE1 GLU A 45 -18.230 -9.771 -7.478 1.00 0.00 O ATOM 736 OE2 GLU A 45 -19.295 -9.404 -9.313 1.00 0.00 O ATOM 0 H GLU A 45 -16.962 -5.214 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.842 -5.818 -6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.545 -6.556 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.679 -7.896 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -20.273 -7.807 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.596 -7.044 -8.506 1.00 0.00 H new ATOM 743 N LYS A 46 -17.931 -7.168 -3.762 1.00 0.00 N ATOM 744 CA LYS A 46 -18.025 -7.873 -2.450 1.00 0.00 C ATOM 745 C LYS A 46 -18.180 -6.855 -1.316 1.00 0.00 C ATOM 746 O LYS A 46 -18.584 -7.188 -0.220 1.00 0.00 O ATOM 747 CB LYS A 46 -16.708 -8.635 -2.316 1.00 0.00 C ATOM 748 CG LYS A 46 -16.449 -9.428 -3.600 1.00 0.00 C ATOM 749 CD LYS A 46 -15.143 -10.213 -3.464 1.00 0.00 C ATOM 750 CE LYS A 46 -14.978 -11.143 -4.668 1.00 0.00 C ATOM 751 NZ LYS A 46 -13.508 -11.219 -4.897 1.00 0.00 N ATOM 0 H LYS A 46 -16.985 -6.936 -4.063 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.886 -8.540 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.889 -7.939 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.750 -9.309 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.277 -10.111 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.391 -8.751 -4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.299 -9.527 -3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -15.150 -10.793 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.398 -12.129 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.494 -10.750 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.315 -11.840 -5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.138 -10.267 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.044 -11.603 -4.049 1.00 0.00 H new ATOM 765 N LYS A 47 -17.868 -5.616 -1.579 1.00 0.00 N ATOM 766 CA LYS A 47 -18.000 -4.564 -0.527 1.00 0.00 C ATOM 767 C LYS A 47 -17.000 -4.800 0.609 1.00 0.00 C ATOM 768 O LYS A 47 -17.231 -4.414 1.738 1.00 0.00 O ATOM 769 CB LYS A 47 -19.435 -4.685 -0.013 1.00 0.00 C ATOM 770 CG LYS A 47 -20.394 -4.887 -1.189 1.00 0.00 C ATOM 771 CD LYS A 47 -21.719 -4.180 -0.895 1.00 0.00 C ATOM 772 CE LYS A 47 -21.521 -2.665 -0.993 1.00 0.00 C ATOM 773 NZ LYS A 47 -21.748 -2.157 0.388 1.00 0.00 N ATOM 0 H LYS A 47 -17.526 -5.284 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 47 -17.791 -3.570 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.513 -5.523 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.709 -3.787 0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.953 -4.490 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.566 -5.951 -1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.482 -4.504 -1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -22.073 -4.448 0.100 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.519 -2.420 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -22.223 -2.220 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.090 -1.375 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.727 -1.816 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.586 -2.924 1.071 1.00 0.00 H new ATOM 787 N CYS A 48 -15.884 -5.411 0.320 1.00 0.00 N ATOM 788 CA CYS A 48 -14.868 -5.646 1.391 1.00 0.00 C ATOM 789 C CYS A 48 -13.495 -5.214 0.890 1.00 0.00 C ATOM 790 O CYS A 48 -13.347 -4.751 -0.223 1.00 0.00 O ATOM 791 CB CYS A 48 -14.836 -7.154 1.683 1.00 0.00 C ATOM 792 SG CYS A 48 -16.382 -7.971 1.208 1.00 0.00 S ATOM 0 H CYS A 48 -15.630 -5.757 -0.605 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.122 -5.079 2.287 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.005 -7.610 1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.653 -7.314 2.746 1.00 0.00 H new ATOM 797 N SER A 49 -12.484 -5.375 1.693 1.00 0.00 N ATOM 798 CA SER A 49 -11.121 -4.988 1.246 1.00 0.00 C ATOM 799 C SER A 49 -10.213 -6.214 1.201 1.00 0.00 C ATOM 800 O SER A 49 -10.547 -7.274 1.702 1.00 0.00 O ATOM 801 CB SER A 49 -10.622 -4.000 2.292 1.00 0.00 C ATOM 802 OG SER A 49 -11.376 -4.160 3.485 1.00 0.00 O ATOM 0 H SER A 49 -12.542 -5.757 2.637 1.00 0.00 H new ATOM 0 HA SER A 49 -11.126 -4.555 0.246 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.564 -4.168 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.719 -2.980 1.921 1.00 0.00 H new ATOM 0 HG SER A 49 -10.810 -4.557 4.179 1.00 0.00 H new ATOM 808 N TYR A 50 -9.067 -6.068 0.606 1.00 0.00 N ATOM 809 CA TYR A 50 -8.109 -7.206 0.517 1.00 0.00 C ATOM 810 C TYR A 50 -6.688 -6.662 0.345 1.00 0.00 C ATOM 811 O TYR A 50 -6.446 -5.483 0.508 1.00 0.00 O ATOM 812 CB TYR A 50 -8.542 -8.009 -0.714 1.00 0.00 C ATOM 813 CG TYR A 50 -8.876 -7.070 -1.851 1.00 0.00 C ATOM 814 CD1 TYR A 50 -10.164 -6.530 -1.962 1.00 0.00 C ATOM 815 CD2 TYR A 50 -7.896 -6.743 -2.795 1.00 0.00 C ATOM 816 CE1 TYR A 50 -10.470 -5.664 -3.019 1.00 0.00 C ATOM 817 CE2 TYR A 50 -8.202 -5.876 -3.850 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.488 -5.338 -3.962 1.00 0.00 C ATOM 819 OH TYR A 50 -9.789 -4.485 -5.005 1.00 0.00 O ATOM 0 H TYR A 50 -8.747 -5.202 0.172 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.112 -7.828 1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.744 -8.688 -1.015 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.409 -8.623 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -10.920 -6.781 -1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.903 -7.160 -2.709 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.463 -5.248 -3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.445 -5.622 -4.578 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.981 -4.000 -5.275 1.00 0.00 H new ATOM 829 N THR A 51 -5.743 -7.502 0.025 1.00 0.00 N ATOM 830 CA THR A 51 -4.349 -7.002 -0.143 1.00 0.00 C ATOM 831 C THR A 51 -3.869 -7.197 -1.583 1.00 0.00 C ATOM 832 O THR A 51 -4.198 -8.163 -2.240 1.00 0.00 O ATOM 833 CB THR A 51 -3.498 -7.834 0.815 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.902 -9.196 0.750 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.673 -7.313 2.241 1.00 0.00 C ATOM 0 H THR A 51 -5.873 -8.502 -0.126 1.00 0.00 H new ATOM 0 HA THR A 51 -4.281 -5.935 0.070 1.00 0.00 H new ATOM 0 HB THR A 51 -2.449 -7.755 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.355 -9.729 1.363 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.065 -7.908 2.923 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.358 -6.271 2.289 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.721 -7.388 2.530 1.00 0.00 H new ATOM 843 N GLU A 52 -3.079 -6.281 -2.063 1.00 0.00 N ATOM 844 CA GLU A 52 -2.544 -6.388 -3.449 1.00 0.00 C ATOM 845 C GLU A 52 -1.031 -6.587 -3.383 1.00 0.00 C ATOM 846 O GLU A 52 -0.267 -5.650 -3.515 1.00 0.00 O ATOM 847 CB GLU A 52 -2.884 -5.054 -4.116 1.00 0.00 C ATOM 848 CG GLU A 52 -4.124 -5.219 -4.995 1.00 0.00 C ATOM 849 CD GLU A 52 -3.776 -6.068 -6.220 1.00 0.00 C ATOM 850 OE1 GLU A 52 -3.102 -5.557 -7.098 1.00 0.00 O ATOM 851 OE2 GLU A 52 -4.189 -7.216 -6.256 1.00 0.00 O ATOM 0 H GLU A 52 -2.777 -5.453 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.966 -7.227 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.063 -4.292 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.042 -4.712 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.924 -5.693 -4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.492 -4.242 -5.310 1.00 0.00 H new ATOM 858 N ASP A 53 -0.595 -7.795 -3.155 1.00 0.00 N ATOM 859 CA ASP A 53 0.869 -8.058 -3.054 1.00 0.00 C ATOM 860 C ASP A 53 1.642 -7.253 -4.099 1.00 0.00 C ATOM 861 O ASP A 53 1.183 -7.035 -5.203 1.00 0.00 O ATOM 862 CB ASP A 53 1.027 -9.553 -3.313 1.00 0.00 C ATOM 863 CG ASP A 53 0.260 -10.341 -2.251 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.888 -10.007 -2.007 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.832 -11.267 -1.698 1.00 0.00 O ATOM 0 H ASP A 53 -1.191 -8.614 -3.034 1.00 0.00 H new ATOM 0 HA ASP A 53 1.263 -7.765 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.653 -9.802 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.082 -9.827 -3.292 1.00 0.00 H new ATOM 870 N ALA A 54 2.820 -6.820 -3.752 1.00 0.00 N ATOM 871 CA ALA A 54 3.649 -6.035 -4.709 1.00 0.00 C ATOM 872 C ALA A 54 5.114 -6.464 -4.592 1.00 0.00 C ATOM 873 O ALA A 54 5.470 -7.249 -3.735 1.00 0.00 O ATOM 874 CB ALA A 54 3.477 -4.576 -4.285 1.00 0.00 C ATOM 0 H ALA A 54 3.248 -6.977 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 54 3.349 -6.188 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.060 -3.934 -4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.424 -4.301 -4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.824 -4.452 -3.259 1.00 0.00 H new ATOM 880 N GLN A 55 5.966 -5.962 -5.442 1.00 0.00 N ATOM 881 CA GLN A 55 7.403 -6.356 -5.366 1.00 0.00 C ATOM 882 C GLN A 55 8.303 -5.145 -5.619 1.00 0.00 C ATOM 883 O GLN A 55 7.944 -4.228 -6.332 1.00 0.00 O ATOM 884 CB GLN A 55 7.586 -7.399 -6.467 1.00 0.00 C ATOM 885 CG GLN A 55 8.885 -8.171 -6.227 1.00 0.00 C ATOM 886 CD GLN A 55 9.538 -8.502 -7.571 1.00 0.00 C ATOM 887 OE1 GLN A 55 9.855 -7.616 -8.339 1.00 0.00 O ATOM 888 NE2 GLN A 55 9.754 -9.749 -7.888 1.00 0.00 N ATOM 0 H GLN A 55 5.733 -5.300 -6.182 1.00 0.00 H new ATOM 0 HA GLN A 55 7.670 -6.747 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.739 -8.085 -6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.614 -6.913 -7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.566 -7.578 -5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.679 -9.088 -5.675 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.488 -10.493 -7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.189 -9.980 -8.781 1.00 0.00 H new ATOM 897 N CYS A 56 9.475 -5.136 -5.044 1.00 0.00 N ATOM 898 CA CYS A 56 10.402 -3.989 -5.255 1.00 0.00 C ATOM 899 C CYS A 56 11.481 -4.367 -6.274 1.00 0.00 C ATOM 900 O CYS A 56 12.084 -5.418 -6.192 1.00 0.00 O ATOM 901 CB CYS A 56 11.027 -3.723 -3.886 1.00 0.00 C ATOM 902 SG CYS A 56 12.347 -2.493 -4.053 1.00 0.00 S ATOM 0 H CYS A 56 9.830 -5.874 -4.437 1.00 0.00 H new ATOM 0 HA CYS A 56 9.889 -3.109 -5.643 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.267 -3.365 -3.191 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.428 -4.648 -3.471 1.00 0.00 H new ATOM 907 N ILE A 57 11.725 -3.517 -7.231 1.00 0.00 N ATOM 908 CA ILE A 57 12.764 -3.824 -8.255 1.00 0.00 C ATOM 909 C ILE A 57 13.853 -2.745 -8.241 1.00 0.00 C ATOM 910 O ILE A 57 13.651 -1.647 -7.759 1.00 0.00 O ATOM 911 CB ILE A 57 12.020 -3.836 -9.593 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.079 -5.042 -9.640 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.026 -3.936 -10.741 1.00 0.00 C ATOM 914 CD1 ILE A 57 9.749 -4.683 -8.975 1.00 0.00 C ATOM 0 H ILE A 57 11.250 -2.622 -7.349 1.00 0.00 H new ATOM 0 HA ILE A 57 13.262 -4.775 -8.067 1.00 0.00 H new ATOM 0 HB ILE A 57 11.445 -2.916 -9.694 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.910 -5.344 -10.674 1.00 0.00 H new ATOM 0 HG13 ILE A 57 11.534 -5.891 -9.130 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.493 -3.944 -11.692 1.00 0.00 H new ATOM 0 HG22 ILE A 57 13.700 -3.080 -10.710 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.603 -4.855 -10.640 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.081 -5.543 -9.010 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.925 -4.402 -7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.292 -3.847 -9.504 1.00 0.00 H new ATOM 926 N ASP A 58 15.008 -3.065 -8.753 1.00 0.00 N ATOM 927 CA ASP A 58 16.143 -2.092 -8.771 1.00 0.00 C ATOM 928 C ASP A 58 15.670 -0.644 -8.970 1.00 0.00 C ATOM 929 O ASP A 58 15.512 -0.177 -10.081 1.00 0.00 O ATOM 930 CB ASP A 58 17.005 -2.531 -9.952 1.00 0.00 C ATOM 931 CG ASP A 58 18.460 -2.135 -9.697 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.081 -2.748 -8.845 1.00 0.00 O ATOM 933 OD2 ASP A 58 18.930 -1.224 -10.359 1.00 0.00 O ATOM 0 H ASP A 58 15.220 -3.973 -9.167 1.00 0.00 H new ATOM 0 HA ASP A 58 16.678 -2.096 -7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.929 -3.610 -10.090 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.646 -2.066 -10.870 1.00 0.00 H new ATOM 938 N GLY A 59 15.485 0.077 -7.896 1.00 0.00 N ATOM 939 CA GLY A 59 15.069 1.511 -8.000 1.00 0.00 C ATOM 940 C GLY A 59 13.715 1.657 -8.699 1.00 0.00 C ATOM 941 O GLY A 59 13.286 2.754 -8.996 1.00 0.00 O ATOM 0 H GLY A 59 15.605 -0.267 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.013 1.947 -7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.825 2.071 -8.550 1.00 0.00 H new ATOM 945 N THR A 60 13.030 0.583 -8.966 1.00 0.00 N ATOM 946 CA THR A 60 11.708 0.716 -9.645 1.00 0.00 C ATOM 947 C THR A 60 10.670 -0.186 -8.980 1.00 0.00 C ATOM 948 O THR A 60 10.973 -1.271 -8.543 1.00 0.00 O ATOM 949 CB THR A 60 11.954 0.276 -11.088 1.00 0.00 C ATOM 950 OG1 THR A 60 13.041 1.015 -11.627 1.00 0.00 O ATOM 951 CG2 THR A 60 10.697 0.532 -11.920 1.00 0.00 C ATOM 0 H THR A 60 13.320 -0.370 -8.748 1.00 0.00 H new ATOM 0 HA THR A 60 11.322 1.734 -9.589 1.00 0.00 H new ATOM 0 HB THR A 60 12.192 -0.788 -11.110 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.885 0.647 -11.292 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.872 0.218 -12.949 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.864 -0.035 -11.504 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.458 1.595 -11.900 1.00 0.00 H new ATOM 959 N ILE A 61 9.445 0.253 -8.907 1.00 0.00 N ATOM 960 CA ILE A 61 8.394 -0.594 -8.277 1.00 0.00 C ATOM 961 C ILE A 61 7.063 -0.409 -9.010 1.00 0.00 C ATOM 962 O ILE A 61 6.712 0.680 -9.417 1.00 0.00 O ATOM 963 CB ILE A 61 8.290 -0.113 -6.828 1.00 0.00 C ATOM 964 CG1 ILE A 61 6.984 -0.623 -6.215 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.311 1.415 -6.781 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.281 -1.319 -4.887 1.00 0.00 C ATOM 0 H ILE A 61 9.127 1.158 -9.255 1.00 0.00 H new ATOM 0 HA ILE A 61 8.639 -1.655 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 61 9.138 -0.499 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.296 0.207 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.495 -1.316 -6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.237 1.748 -5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.243 1.780 -7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.469 1.808 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.351 -1.682 -4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.953 -2.159 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.751 -0.612 -4.203 1.00 0.00 H new ATOM 978 N GLU A 62 6.326 -1.470 -9.183 1.00 0.00 N ATOM 979 CA GLU A 62 5.021 -1.363 -9.896 1.00 0.00 C ATOM 980 C GLU A 62 3.864 -1.388 -8.894 1.00 0.00 C ATOM 981 O GLU A 62 3.431 -2.435 -8.456 1.00 0.00 O ATOM 982 CB GLU A 62 4.966 -2.589 -10.808 1.00 0.00 C ATOM 983 CG GLU A 62 5.432 -2.201 -12.212 1.00 0.00 C ATOM 984 CD GLU A 62 4.256 -2.297 -13.185 1.00 0.00 C ATOM 985 OE1 GLU A 62 3.158 -1.932 -12.795 1.00 0.00 O ATOM 986 OE2 GLU A 62 4.472 -2.734 -14.304 1.00 0.00 O ATOM 0 H GLU A 62 6.570 -2.407 -8.862 1.00 0.00 H new ATOM 0 HA GLU A 62 4.934 -0.432 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.599 -3.381 -10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.950 -2.982 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.831 -1.187 -12.207 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.239 -2.860 -12.534 1.00 0.00 H new ATOM 993 N VAL A 63 3.358 -0.242 -8.531 1.00 0.00 N ATOM 994 CA VAL A 63 2.227 -0.197 -7.561 1.00 0.00 C ATOM 995 C VAL A 63 0.953 -0.752 -8.217 1.00 0.00 C ATOM 996 O VAL A 63 0.661 -0.432 -9.352 1.00 0.00 O ATOM 997 CB VAL A 63 2.060 1.286 -7.229 1.00 0.00 C ATOM 998 CG1 VAL A 63 0.692 1.520 -6.585 1.00 0.00 C ATOM 999 CG2 VAL A 63 3.162 1.715 -6.259 1.00 0.00 C ATOM 0 H VAL A 63 3.679 0.667 -8.865 1.00 0.00 H new ATOM 0 HA VAL A 63 2.413 -0.796 -6.670 1.00 0.00 H new ATOM 0 HB VAL A 63 2.130 1.873 -8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.577 2.578 -6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.093 1.214 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.616 0.934 -5.669 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.045 2.772 -6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.091 1.127 -5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.136 1.552 -6.720 1.00 0.00 H new ATOM 1009 N PRO A 64 0.230 -1.571 -7.489 1.00 0.00 N ATOM 1010 CA PRO A 64 -1.018 -2.165 -8.027 1.00 0.00 C ATOM 1011 C PRO A 64 -2.014 -1.070 -8.423 1.00 0.00 C ATOM 1012 O PRO A 64 -2.363 -0.216 -7.631 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.539 -2.987 -6.843 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.558 -2.836 -5.664 1.00 0.00 C ATOM 1015 CD PRO A 64 0.610 -1.943 -6.105 1.00 0.00 C ATOM 0 HA PRO A 64 -0.865 -2.760 -8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.532 -2.644 -6.554 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.633 -4.036 -7.124 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.065 -2.397 -4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.189 -3.813 -5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.715 -1.067 -5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.561 -2.475 -6.075 1.00 0.00 H new ATOM 1023 N LYS A 65 -2.474 -1.090 -9.644 1.00 0.00 N ATOM 1024 CA LYS A 65 -3.448 -0.054 -10.097 1.00 0.00 C ATOM 1025 C LYS A 65 -4.624 0.029 -9.121 1.00 0.00 C ATOM 1026 O LYS A 65 -5.173 1.087 -8.884 1.00 0.00 O ATOM 1027 CB LYS A 65 -3.926 -0.537 -11.468 1.00 0.00 C ATOM 1028 CG LYS A 65 -4.110 0.662 -12.398 1.00 0.00 C ATOM 1029 CD LYS A 65 -2.921 0.748 -13.357 1.00 0.00 C ATOM 1030 CE LYS A 65 -2.813 2.169 -13.912 1.00 0.00 C ATOM 1031 NZ LYS A 65 -2.331 2.993 -12.769 1.00 0.00 N ATOM 0 H LYS A 65 -2.217 -1.780 -10.350 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.003 0.940 -10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.202 -1.232 -11.893 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.866 -1.079 -11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.038 0.561 -12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.188 1.580 -11.815 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.001 0.479 -12.838 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.046 0.036 -14.173 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.119 2.213 -14.751 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.777 2.525 -14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.146 3.401 -12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.786 2.395 -12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.725 3.759 -13.125 1.00 0.00 H new ATOM 1045 N CYS A 66 -5.016 -1.079 -8.556 1.00 0.00 N ATOM 1046 CA CYS A 66 -6.160 -1.067 -7.598 1.00 0.00 C ATOM 1047 C CYS A 66 -6.026 0.106 -6.621 1.00 0.00 C ATOM 1048 O CYS A 66 -7.005 0.676 -6.184 1.00 0.00 O ATOM 1049 CB CYS A 66 -6.062 -2.397 -6.851 1.00 0.00 C ATOM 1050 SG CYS A 66 -7.452 -2.545 -5.701 1.00 0.00 S ATOM 0 H CYS A 66 -4.594 -1.994 -8.716 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.119 -0.949 -8.103 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.072 -3.226 -7.559 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.119 -2.453 -6.308 1.00 0.00 H new ATOM 1055 N PHE A 67 -4.821 0.467 -6.275 1.00 0.00 N ATOM 1056 CA PHE A 67 -4.626 1.599 -5.323 1.00 0.00 C ATOM 1057 C PHE A 67 -5.373 2.843 -5.815 1.00 0.00 C ATOM 1058 O PHE A 67 -5.838 2.897 -6.936 1.00 0.00 O ATOM 1059 CB PHE A 67 -3.118 1.848 -5.309 1.00 0.00 C ATOM 1060 CG PHE A 67 -2.790 2.889 -4.266 1.00 0.00 C ATOM 1061 CD1 PHE A 67 -2.706 2.525 -2.917 1.00 0.00 C ATOM 1062 CD2 PHE A 67 -2.570 4.218 -4.648 1.00 0.00 C ATOM 1063 CE1 PHE A 67 -2.404 3.491 -1.949 1.00 0.00 C ATOM 1064 CE2 PHE A 67 -2.268 5.184 -3.681 1.00 0.00 C ATOM 1065 CZ PHE A 67 -2.185 4.821 -2.331 1.00 0.00 C ATOM 0 H PHE A 67 -3.963 0.028 -6.609 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.011 1.373 -4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.587 0.921 -5.092 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.785 2.184 -6.291 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.874 1.500 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.633 4.498 -5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.340 3.211 -0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.099 6.209 -3.976 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.952 5.566 -1.585 1.00 0.00 H new ATOM 1075 N LYS A 68 -5.491 3.842 -4.982 1.00 0.00 N ATOM 1076 CA LYS A 68 -6.206 5.083 -5.398 1.00 0.00 C ATOM 1077 C LYS A 68 -5.878 6.225 -4.433 1.00 0.00 C ATOM 1078 O LYS A 68 -6.022 6.099 -3.233 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.692 4.727 -5.325 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.387 5.167 -6.615 1.00 0.00 C ATOM 1081 CD LYS A 68 -9.469 6.198 -6.285 1.00 0.00 C ATOM 1082 CE LYS A 68 -10.851 5.568 -6.474 1.00 0.00 C ATOM 1083 NZ LYS A 68 -11.204 5.841 -7.896 1.00 0.00 N ATOM 0 H LYS A 68 -5.123 3.852 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.917 5.415 -6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.813 3.653 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.152 5.216 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.660 5.595 -7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.831 4.305 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.354 6.546 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.364 7.070 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.829 4.497 -6.271 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.582 6.006 -5.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.140 5.440 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.224 6.868 -8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.494 5.406 -8.520 1.00 0.00 H new ATOM 1097 N GLU A 69 -5.435 7.340 -4.947 1.00 0.00 N ATOM 1098 CA GLU A 69 -5.094 8.488 -4.056 1.00 0.00 C ATOM 1099 C GLU A 69 -6.357 9.275 -3.692 1.00 0.00 C ATOM 1100 O GLU A 69 -7.452 8.748 -3.697 1.00 0.00 O ATOM 1101 CB GLU A 69 -4.139 9.356 -4.876 1.00 0.00 C ATOM 1102 CG GLU A 69 -4.911 10.031 -6.011 1.00 0.00 C ATOM 1103 CD GLU A 69 -3.924 10.676 -6.987 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -2.855 10.118 -7.174 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -4.253 11.718 -7.531 1.00 0.00 O ATOM 0 H GLU A 69 -5.294 7.507 -5.943 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.645 8.161 -3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.677 10.109 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.333 8.745 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.527 9.298 -6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.586 10.786 -5.607 1.00 0.00 H new ATOM 1112 N HIS A 70 -6.210 10.532 -3.373 1.00 0.00 N ATOM 1113 CA HIS A 70 -7.400 11.354 -3.004 1.00 0.00 C ATOM 1114 C HIS A 70 -7.839 12.220 -4.190 1.00 0.00 C ATOM 1115 O HIS A 70 -7.320 13.297 -4.408 1.00 0.00 O ATOM 1116 CB HIS A 70 -6.927 12.238 -1.849 1.00 0.00 C ATOM 1117 CG HIS A 70 -7.375 11.648 -0.540 1.00 0.00 C ATOM 1118 ND1 HIS A 70 -6.669 10.641 0.098 1.00 0.00 N ATOM 1119 CD2 HIS A 70 -8.451 11.922 0.269 1.00 0.00 C ATOM 1120 CE1 HIS A 70 -7.321 10.346 1.238 1.00 0.00 C ATOM 1121 NE2 HIS A 70 -8.415 11.099 1.391 1.00 0.00 N ATOM 0 H HIS A 70 -5.318 11.026 -3.352 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.255 10.737 -2.727 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.841 12.325 -1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.329 13.245 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.210 12.663 0.065 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.000 9.593 1.943 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.080 11.075 2.164 1.00 0.00 H new ATOM 1129 N SER A 71 -8.793 11.763 -4.954 1.00 0.00 N ATOM 1130 CA SER A 71 -9.263 12.567 -6.119 1.00 0.00 C ATOM 1131 C SER A 71 -10.517 13.360 -5.738 1.00 0.00 C ATOM 1132 O SER A 71 -10.834 13.518 -4.576 1.00 0.00 O ATOM 1133 CB SER A 71 -9.578 11.539 -7.207 1.00 0.00 C ATOM 1134 OG SER A 71 -10.977 11.528 -7.460 1.00 0.00 O ATOM 0 H SER A 71 -9.267 10.869 -4.823 1.00 0.00 H new ATOM 0 HA SER A 71 -8.521 13.292 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.035 11.782 -8.120 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.247 10.549 -6.893 1.00 0.00 H new ATOM 0 HG SER A 71 -11.178 10.870 -8.158 1.00 0.00 H new ATOM 1140 N SER A 72 -11.233 13.863 -6.708 1.00 0.00 N ATOM 1141 CA SER A 72 -12.465 14.645 -6.400 1.00 0.00 C ATOM 1142 C SER A 72 -13.591 13.707 -5.955 1.00 0.00 C ATOM 1143 O SER A 72 -13.656 12.565 -6.361 1.00 0.00 O ATOM 1144 CB SER A 72 -12.832 15.336 -7.711 1.00 0.00 C ATOM 1145 OG SER A 72 -11.839 16.305 -8.024 1.00 0.00 O ATOM 0 H SER A 72 -11.018 13.766 -7.700 1.00 0.00 H new ATOM 0 HA SER A 72 -12.309 15.359 -5.591 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.907 14.602 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.808 15.813 -7.623 1.00 0.00 H new ATOM 0 HG SER A 72 -12.070 16.750 -8.866 1.00 0.00 H new ATOM 1151 N LEU A 73 -14.477 14.181 -5.121 1.00 0.00 N ATOM 1152 CA LEU A 73 -15.594 13.311 -4.650 1.00 0.00 C ATOM 1153 C LEU A 73 -15.037 11.999 -4.095 1.00 0.00 C ATOM 1154 O LEU A 73 -15.683 10.970 -4.140 1.00 0.00 O ATOM 1155 CB LEU A 73 -16.446 13.051 -5.894 1.00 0.00 C ATOM 1156 CG LEU A 73 -17.448 14.192 -6.073 1.00 0.00 C ATOM 1157 CD1 LEU A 73 -18.498 14.127 -4.963 1.00 0.00 C ATOM 1158 CD2 LEU A 73 -16.711 15.530 -5.999 1.00 0.00 C ATOM 0 H LEU A 73 -14.476 15.130 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.174 13.775 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -15.808 12.971 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.973 12.102 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.938 14.098 -7.042 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -19.213 14.940 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -19.022 13.172 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -18.009 14.222 -3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.423 16.345 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -16.222 15.623 -5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.961 15.577 -6.789 1.00 0.00 H new ATOM 1170 N ALA A 74 -13.841 12.027 -3.574 1.00 0.00 N ATOM 1171 CA ALA A 74 -13.241 10.781 -3.018 1.00 0.00 C ATOM 1172 C ALA A 74 -13.650 10.602 -1.553 1.00 0.00 C ATOM 1173 O ALA A 74 -13.052 9.838 -0.822 1.00 0.00 O ATOM 1174 CB ALA A 74 -11.729 10.986 -3.133 1.00 0.00 C ATOM 0 H ALA A 74 -13.254 12.858 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 74 -13.574 9.889 -3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.212 10.109 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.460 11.130 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.436 11.865 -2.559 1.00 0.00 H new ATOM 1180 N PHE A 75 -14.668 11.295 -1.121 1.00 0.00 N ATOM 1181 CA PHE A 75 -15.114 11.154 0.294 1.00 0.00 C ATOM 1182 C PHE A 75 -15.403 9.685 0.605 1.00 0.00 C ATOM 1183 O PHE A 75 -14.584 8.985 1.166 1.00 0.00 O ATOM 1184 CB PHE A 75 -16.396 11.983 0.395 1.00 0.00 C ATOM 1185 CG PHE A 75 -16.072 13.352 0.946 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -15.763 13.505 2.304 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -16.084 14.469 0.101 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -15.465 14.774 2.815 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -15.787 15.737 0.613 1.00 0.00 C ATOM 1190 CZ PHE A 75 -15.477 15.890 1.970 1.00 0.00 C ATOM 0 H PHE A 75 -15.209 11.951 -1.685 1.00 0.00 H new ATOM 0 HA PHE A 75 -14.357 11.491 1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -16.860 12.076 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -17.116 11.481 1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.755 12.644 2.956 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -16.322 14.352 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -15.226 14.892 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -15.797 16.598 -0.039 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.247 16.869 2.365 1.00 0.00 H new ATOM 1200 N TRP A 76 -16.562 9.210 0.239 1.00 0.00 N ATOM 1201 CA TRP A 76 -16.902 7.785 0.509 1.00 0.00 C ATOM 1202 C TRP A 76 -16.739 7.473 1.999 1.00 0.00 C ATOM 1203 O TRP A 76 -16.784 8.354 2.834 1.00 0.00 O ATOM 1204 CB TRP A 76 -15.907 6.981 -0.323 1.00 0.00 C ATOM 1205 CG TRP A 76 -16.641 6.306 -1.434 1.00 0.00 C ATOM 1206 CD1 TRP A 76 -17.136 6.927 -2.526 1.00 0.00 C ATOM 1207 CD2 TRP A 76 -16.976 4.898 -1.575 1.00 0.00 C ATOM 1208 NE1 TRP A 76 -17.749 5.987 -3.336 1.00 0.00 N ATOM 1209 CE2 TRP A 76 -17.676 4.720 -2.792 1.00 0.00 C ATOM 1210 CE3 TRP A 76 -16.741 3.771 -0.773 1.00 0.00 C ATOM 1211 CZ2 TRP A 76 -18.125 3.463 -3.198 1.00 0.00 C ATOM 1212 CZ3 TRP A 76 -17.192 2.504 -1.178 1.00 0.00 C ATOM 1213 CH2 TRP A 76 -17.882 2.350 -2.388 1.00 0.00 C ATOM 0 H TRP A 76 -17.288 9.747 -0.235 1.00 0.00 H new ATOM 0 HA TRP A 76 -17.934 7.549 0.251 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -15.135 7.637 -0.725 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -15.404 6.242 0.301 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -17.065 7.985 -2.733 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -18.199 6.204 -4.225 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -16.210 3.878 0.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -18.657 3.351 -4.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -17.006 1.643 -0.553 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -18.225 1.373 -2.694 1.00 0.00 H new ATOM 1224 N LYS A 77 -16.548 6.227 2.339 1.00 0.00 N ATOM 1225 CA LYS A 77 -16.384 5.865 3.776 1.00 0.00 C ATOM 1226 C LYS A 77 -14.980 5.307 4.027 1.00 0.00 C ATOM 1227 O LYS A 77 -14.019 5.717 3.409 1.00 0.00 O ATOM 1228 CB LYS A 77 -17.444 4.796 4.039 1.00 0.00 C ATOM 1229 CG LYS A 77 -17.130 3.546 3.213 1.00 0.00 C ATOM 1230 CD LYS A 77 -18.243 2.514 3.410 1.00 0.00 C ATOM 1231 CE LYS A 77 -17.674 1.104 3.225 1.00 0.00 C ATOM 1232 NZ LYS A 77 -16.671 0.939 4.317 1.00 0.00 N ATOM 0 H LYS A 77 -16.499 5.446 1.685 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.503 6.726 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.468 4.547 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.432 5.177 3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -17.043 3.806 2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.171 3.126 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.675 2.615 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -19.047 2.690 2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.459 0.351 3.294 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.211 0.992 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.752 0.675 3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.574 1.834 4.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.987 0.192 4.969 1.00 0.00 H new ATOM 1246 N THR A 78 -14.857 4.374 4.931 1.00 0.00 N ATOM 1247 CA THR A 78 -13.516 3.789 5.225 1.00 0.00 C ATOM 1248 C THR A 78 -12.804 3.411 3.923 1.00 0.00 C ATOM 1249 O THR A 78 -13.351 2.729 3.079 1.00 0.00 O ATOM 1250 CB THR A 78 -13.799 2.542 6.068 1.00 0.00 C ATOM 1251 OG1 THR A 78 -15.191 2.253 6.041 1.00 0.00 O ATOM 1252 CG2 THR A 78 -13.354 2.788 7.510 1.00 0.00 C ATOM 0 H THR A 78 -15.627 3.991 5.479 1.00 0.00 H new ATOM 0 HA THR A 78 -12.866 4.492 5.747 1.00 0.00 H new ATOM 0 HB THR A 78 -13.247 1.696 5.658 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.370 1.454 6.579 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.556 1.900 8.109 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.286 3.004 7.529 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.903 3.635 7.921 1.00 0.00 H new ATOM 1260 N ASP A 79 -11.585 3.849 3.754 1.00 0.00 N ATOM 1261 CA ASP A 79 -10.839 3.517 2.507 1.00 0.00 C ATOM 1262 C ASP A 79 -10.244 2.109 2.599 1.00 0.00 C ATOM 1263 O ASP A 79 -10.183 1.518 3.658 1.00 0.00 O ATOM 1264 CB ASP A 79 -9.727 4.562 2.421 1.00 0.00 C ATOM 1265 CG ASP A 79 -10.138 5.666 1.445 1.00 0.00 C ATOM 1266 OD1 ASP A 79 -10.308 5.363 0.276 1.00 0.00 O ATOM 1267 OD2 ASP A 79 -10.276 6.797 1.884 1.00 0.00 O ATOM 0 H ASP A 79 -11.074 4.422 4.426 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.483 3.531 1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.535 4.986 3.407 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.800 4.095 2.089 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.805 1.572 1.494 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.211 0.204 1.511 1.00 0.00 C ATOM 1274 C ALA A 80 -8.248 0.053 2.693 1.00 0.00 C ATOM 1275 O ALA A 80 -8.233 -0.958 3.367 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.457 0.089 0.187 1.00 0.00 C ATOM 0 H ALA A 80 -9.832 2.021 0.579 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.967 -0.573 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.988 -0.893 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.154 0.216 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.690 0.862 0.137 1.00 0.00 H new ATOM 1282 N SER A 81 -7.442 1.047 2.947 1.00 0.00 N ATOM 1283 CA SER A 81 -6.481 0.954 4.084 1.00 0.00 C ATOM 1284 C SER A 81 -7.233 0.925 5.417 1.00 0.00 C ATOM 1285 O SER A 81 -6.654 0.705 6.462 1.00 0.00 O ATOM 1286 CB SER A 81 -5.624 2.214 3.984 1.00 0.00 C ATOM 1287 OG SER A 81 -4.450 2.048 4.768 1.00 0.00 O ATOM 0 H SER A 81 -7.407 1.918 2.418 1.00 0.00 H new ATOM 0 HA SER A 81 -5.880 0.046 4.039 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.357 2.404 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.188 3.080 4.332 1.00 0.00 H new ATOM 0 HG SER A 81 -4.462 1.165 5.193 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.518 1.147 5.389 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.303 1.135 6.657 1.00 0.00 C ATOM 1295 C ASP A 82 -10.550 0.260 6.509 1.00 0.00 C ATOM 1296 O ASP A 82 -11.558 0.487 7.148 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.695 2.593 6.891 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.445 3.417 7.204 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.599 3.529 6.332 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.353 3.921 8.312 1.00 0.00 O ATOM 0 H ASP A 82 -9.058 1.336 4.545 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.731 0.725 7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.194 2.992 6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.404 2.661 7.716 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.492 -0.739 5.672 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.678 -1.627 5.490 1.00 0.00 C ATOM 1307 C VAL A 83 -11.355 -3.051 5.950 1.00 0.00 C ATOM 1308 O VAL A 83 -10.234 -3.508 5.841 1.00 0.00 O ATOM 1309 CB VAL A 83 -11.970 -1.609 3.991 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.263 -2.377 3.715 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -12.123 -0.163 3.516 1.00 0.00 C ATOM 0 H VAL A 83 -9.678 -0.980 5.107 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.532 -1.288 6.076 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.146 -2.080 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.472 -2.365 2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.153 -3.408 4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.087 -1.907 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.331 -0.152 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.946 0.311 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.201 0.384 3.712 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.330 -3.755 6.456 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.080 -5.152 6.916 1.00 0.00 C ATOM 1323 C LYS A 84 -12.052 -6.103 5.712 1.00 0.00 C ATOM 1324 O LYS A 84 -12.774 -5.902 4.755 1.00 0.00 O ATOM 1325 CB LYS A 84 -13.258 -5.484 7.831 1.00 0.00 C ATOM 1326 CG LYS A 84 -12.997 -4.922 9.230 1.00 0.00 C ATOM 1327 CD LYS A 84 -14.078 -5.419 10.190 1.00 0.00 C ATOM 1328 CE LYS A 84 -13.435 -5.823 11.519 1.00 0.00 C ATOM 1329 NZ LYS A 84 -14.284 -5.190 12.566 1.00 0.00 N ATOM 0 H LYS A 84 -13.288 -3.425 6.571 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.124 -5.255 7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.177 -5.062 7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.398 -6.564 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.013 -5.234 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -12.995 -3.832 9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.819 -4.637 10.355 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.603 -6.269 9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.411 -6.907 11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.405 -5.473 11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.906 -5.422 13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.283 -4.158 12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.257 -5.547 12.486 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.216 -7.109 5.789 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.102 -8.090 4.683 1.00 0.00 C ATOM 1345 C PRO A 85 -12.434 -8.818 4.474 1.00 0.00 C ATOM 1346 O PRO A 85 -13.071 -9.244 5.415 1.00 0.00 O ATOM 1347 CB PRO A 85 -10.022 -9.049 5.195 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.558 -8.578 6.586 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.350 -7.323 6.973 1.00 0.00 C ATOM 0 HA PRO A 85 -10.856 -7.642 3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.415 -10.064 5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.179 -9.072 4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.715 -9.366 7.323 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.490 -8.361 6.574 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.934 -7.476 7.880 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -9.695 -6.471 7.156 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.861 -8.967 3.248 1.00 0.00 N ATOM 1358 CA CYS A 86 -14.153 -9.671 2.994 1.00 0.00 C ATOM 1359 C CYS A 86 -14.228 -10.948 3.836 1.00 0.00 C ATOM 1360 O CYS A 86 -15.216 -11.121 4.529 1.00 0.00 O ATOM 1361 CB CYS A 86 -14.143 -10.013 1.504 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.826 -9.881 0.837 1.00 0.00 S ATOM 1363 OXT CYS A 86 -13.293 -11.730 3.774 1.00 0.00 O ATOM 0 H CYS A 86 -12.375 -8.634 2.416 1.00 0.00 H new ATOM 0 HA CYS A 86 -15.014 -9.058 3.260 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.475 -9.337 0.970 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.760 -11.023 1.355 1.00 0.00 H new TER 1368 CYS A 86