USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 862 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 104 LYS NZ :NH3+ -127:sc= 1.16 (180deg=-0.0944) USER MOD Set 1.2: A 123 TYR OH : rot 30:sc= 0.966 USER MOD Set 2.1: A 118 GLN : amide:sc= 0.452 X(o=-1.5,f=-1.8) USER MOD Set 2.2: A 119 HIS : no HE2:sc= -1.96! X(o=-1.5!,f=-1.8) USER MOD Set 3.1: A 39 ASN : amide:sc= 1.42 K(o=1.3,f=-3.6!) USER MOD Set 3.2: A 42 GLN : amide:sc= -0.165 X(o=1.3,f=1.6) USER MOD Single : A 4 ASN : amide:sc= 0.0633 X(o=0.063,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -31:sc= 1.11 USER MOD Single : A 10 THR OG1 : rot -40:sc= 0.559 USER MOD Single : A 13 GLN : amide:sc= -3.69! K(o=-3.7!,f=0.21) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.041 (180deg=-0.265) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0391 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 34 SER OG : rot -170:sc= -0.269 USER MOD Single : A 37 CYS SG : rot 160:sc= -0.572 USER MOD Single : A 44 GLN : amide:sc= -3.35! C(o=-3.4!,f=-0.66!) USER MOD Single : A 47 MET CE :methyl -149:sc= 0 (180deg=-0.393) USER MOD Single : A 53 GLN : amide:sc= -2.17 K(o=-2.2,f=-3.2!) USER MOD Single : A 54 TYR OH : rot -15:sc= -0.271 USER MOD Single : A 60 ASN : amide:sc= 1.04 K(o=1,f=-0.82) USER MOD Single : A 61 HIS : no HE2:sc= -0.4 X(o=-0.4,f=-0.53) USER MOD Single : A 69 LYS NZ :NH3+ 145:sc= 0.102 (180deg=-0.314) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.16) USER MOD Single : A 74 SER OG : rot 19:sc= 0.77 USER MOD Single : A 79 GLN : amide:sc= -6.18! C(o=-6.2!,f=-8.8!) USER MOD Single : A 81 HIS : no HE2:sc= -0.988 K(o=-0.99,f=-3!) USER MOD Single : A 83 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.007) USER MOD Single : A 86 GLN : amide:sc= -1.25! K(o=-1.3!,f=-0.017) USER MOD Single : A 88 TYR OH : rot 139:sc= 1 USER MOD Single : A 91 THR OG1 : rot 57:sc= 1.25 USER MOD Single : A 99 HIS : no HD1:sc= -0.535 X(o=-0.53,f=-0.12) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -9.732 9.818 -7.493 1.00 0.00 N ATOM 43 CA ASN A 4 -10.537 10.288 -6.403 1.00 0.00 C ATOM 44 C ASN A 4 -10.049 9.493 -5.242 1.00 0.00 C ATOM 45 O ASN A 4 -10.813 8.860 -4.536 1.00 0.00 O ATOM 46 CB ASN A 4 -12.038 10.018 -6.663 1.00 0.00 C ATOM 47 CG ASN A 4 -12.952 10.835 -5.752 1.00 0.00 C ATOM 48 OD1 ASN A 4 -13.331 11.953 -6.095 1.00 0.00 O ATOM 49 ND2 ASN A 4 -13.314 10.297 -4.616 1.00 0.00 N ATOM 0 HA ASN A 4 -10.453 11.364 -6.249 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.269 10.248 -7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.242 8.957 -6.518 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.930 10.808 -3.983 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -12.981 9.367 -4.363 1.00 0.00 H new ATOM 56 N LYS A 5 -8.713 9.486 -5.146 1.00 0.00 N ATOM 57 CA LYS A 5 -7.920 8.730 -4.162 1.00 0.00 C ATOM 58 C LYS A 5 -8.591 8.683 -2.803 1.00 0.00 C ATOM 59 O LYS A 5 -8.523 9.627 -2.013 1.00 0.00 O ATOM 60 CB LYS A 5 -6.511 9.319 -4.049 1.00 0.00 C ATOM 61 CG LYS A 5 -5.772 9.376 -5.378 1.00 0.00 C ATOM 62 CD LYS A 5 -4.365 9.916 -5.220 1.00 0.00 C ATOM 63 CE LYS A 5 -3.651 9.964 -6.563 1.00 0.00 C ATOM 64 NZ LYS A 5 -2.234 10.318 -6.420 1.00 0.00 N ATOM 0 H LYS A 5 -8.127 10.031 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.848 7.703 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.578 10.325 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.931 8.723 -3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.731 8.378 -5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.326 10.005 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.401 10.915 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.805 9.288 -4.527 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.735 8.994 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.143 10.691 -7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.785 10.340 -7.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.153 11.255 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.758 9.611 -5.825 1.00 0.00 H new ATOM 78 N VAL A 6 -9.277 7.600 -2.575 1.00 0.00 N ATOM 79 CA VAL A 6 -10.052 7.437 -1.400 1.00 0.00 C ATOM 80 C VAL A 6 -9.269 6.747 -0.292 1.00 0.00 C ATOM 81 O VAL A 6 -8.744 5.654 -0.459 1.00 0.00 O ATOM 82 CB VAL A 6 -11.405 6.701 -1.712 1.00 0.00 C ATOM 83 CG1 VAL A 6 -11.200 5.295 -2.274 1.00 0.00 C ATOM 84 CG2 VAL A 6 -12.333 6.681 -0.505 1.00 0.00 C ATOM 0 H VAL A 6 -9.308 6.804 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.299 8.432 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.889 7.285 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.169 4.837 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.632 5.354 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.652 4.691 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -13.256 6.163 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.845 6.162 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -12.563 7.704 -0.206 1.00 0.00 H new ATOM 94 N CYS A 7 -9.166 7.434 0.799 1.00 0.00 N ATOM 95 CA CYS A 7 -8.601 6.930 2.022 1.00 0.00 C ATOM 96 C CYS A 7 -9.766 6.332 2.795 1.00 0.00 C ATOM 97 O CYS A 7 -10.896 6.500 2.340 1.00 0.00 O ATOM 98 CB CYS A 7 -7.900 8.061 2.782 1.00 0.00 C ATOM 99 SG CYS A 7 -6.508 8.775 1.870 1.00 0.00 S ATOM 0 H CYS A 7 -9.484 8.400 0.872 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.836 6.172 1.854 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.624 8.846 3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.543 7.680 3.739 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.963 7.860 1.124 1.00 0.00 H new ATOM 105 N GLY A 8 -9.514 5.606 3.914 1.00 0.00 N ATOM 106 CA GLY A 8 -10.556 4.841 4.592 1.00 0.00 C ATOM 107 C GLY A 8 -11.871 5.553 4.704 1.00 0.00 C ATOM 108 O GLY A 8 -11.929 6.761 5.000 1.00 0.00 O ATOM 0 H GLY A 8 -8.596 5.544 4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.708 3.904 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.209 4.584 5.593 1.00 0.00 H new ATOM 112 N LEU A 9 -12.901 4.833 4.427 1.00 0.00 N ATOM 113 CA LEU A 9 -14.215 5.353 4.401 1.00 0.00 C ATOM 114 C LEU A 9 -15.097 4.325 5.055 1.00 0.00 C ATOM 115 O LEU A 9 -14.721 3.154 5.146 1.00 0.00 O ATOM 116 CB LEU A 9 -14.649 5.569 2.935 1.00 0.00 C ATOM 117 CG LEU A 9 -15.254 6.938 2.569 1.00 0.00 C ATOM 118 CD1 LEU A 9 -16.481 7.249 3.392 1.00 0.00 C ATOM 119 CD2 LEU A 9 -14.224 8.043 2.706 1.00 0.00 C ATOM 0 H LEU A 9 -12.847 3.839 4.207 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.280 6.309 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.780 5.404 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.379 4.800 2.683 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.564 6.883 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.876 8.223 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.238 6.484 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.216 7.265 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.678 8.998 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.868 8.083 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.385 7.843 2.039 1.00 0.00 H new ATOM 131 N THR A 10 -16.248 4.732 5.472 1.00 0.00 N ATOM 132 CA THR A 10 -17.161 3.858 6.159 1.00 0.00 C ATOM 133 C THR A 10 -18.512 3.968 5.475 1.00 0.00 C ATOM 134 O THR A 10 -19.557 3.589 6.013 1.00 0.00 O ATOM 135 CB THR A 10 -17.232 4.244 7.674 1.00 0.00 C ATOM 136 OG1 THR A 10 -18.135 3.396 8.404 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.629 5.703 7.858 1.00 0.00 C ATOM 0 H THR A 10 -16.592 5.684 5.349 1.00 0.00 H new ATOM 0 HA THR A 10 -16.825 2.822 6.114 1.00 0.00 H new ATOM 0 HB THR A 10 -16.230 4.100 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.932 3.222 7.861 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.669 5.938 8.922 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.894 6.344 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.609 5.872 7.412 1.00 0.00 H new ATOM 145 N ARG A 11 -18.460 4.476 4.260 1.00 0.00 N ATOM 146 CA ARG A 11 -19.621 4.693 3.459 1.00 0.00 C ATOM 147 C ARG A 11 -19.346 4.256 2.034 1.00 0.00 C ATOM 148 O ARG A 11 -18.595 4.913 1.310 1.00 0.00 O ATOM 149 CB ARG A 11 -20.030 6.171 3.468 1.00 0.00 C ATOM 150 CG ARG A 11 -20.470 6.718 4.817 1.00 0.00 C ATOM 151 CD ARG A 11 -20.730 8.207 4.726 1.00 0.00 C ATOM 152 NE ARG A 11 -21.725 8.523 3.695 1.00 0.00 N ATOM 153 CZ ARG A 11 -21.779 9.665 2.996 1.00 0.00 C ATOM 154 NH1 ARG A 11 -20.858 10.619 3.175 1.00 0.00 N ATOM 155 NH2 ARG A 11 -22.751 9.845 2.114 1.00 0.00 N ATOM 0 H ARG A 11 -17.589 4.750 3.805 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.438 4.106 3.878 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.189 6.765 3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.844 6.310 2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -21.373 6.205 5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.701 6.522 5.564 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -21.077 8.575 5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.798 8.726 4.503 1.00 0.00 H new ATOM 0 HE ARG A 11 -22.433 7.816 3.494 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -20.105 10.481 3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.909 11.484 2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -23.451 9.117 1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -22.799 10.711 1.578 1.00 0.00 H new ATOM 169 N GLY A 12 -19.917 3.140 1.675 1.00 0.00 N ATOM 170 CA GLY A 12 -19.873 2.583 0.341 1.00 0.00 C ATOM 171 C GLY A 12 -20.206 3.584 -0.724 1.00 0.00 C ATOM 172 O GLY A 12 -19.499 3.755 -1.701 1.00 0.00 O ATOM 0 H GLY A 12 -20.450 2.565 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.878 2.180 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.572 1.749 0.279 1.00 0.00 H new ATOM 176 N GLN A 13 -21.278 4.254 -0.479 1.00 0.00 N ATOM 177 CA GLN A 13 -21.853 5.266 -1.329 1.00 0.00 C ATOM 178 C GLN A 13 -20.931 6.471 -1.507 1.00 0.00 C ATOM 179 O GLN A 13 -21.094 7.249 -2.430 1.00 0.00 O ATOM 180 CB GLN A 13 -23.229 5.686 -0.798 1.00 0.00 C ATOM 181 CG GLN A 13 -24.342 4.624 -0.929 1.00 0.00 C ATOM 182 CD GLN A 13 -24.122 3.306 -0.155 1.00 0.00 C ATOM 183 OE1 GLN A 13 -24.574 2.251 -0.590 1.00 0.00 O ATOM 184 NE2 GLN A 13 -23.442 3.347 0.978 1.00 0.00 N ATOM 0 H GLN A 13 -21.820 4.108 0.373 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.980 4.830 -2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.128 5.953 0.254 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.545 6.585 -1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.279 5.067 -0.592 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.464 4.385 -1.985 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -23.075 4.235 1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -23.284 2.491 1.509 1.00 0.00 H new ATOM 193 N ASP A 14 -19.988 6.626 -0.620 1.00 0.00 N ATOM 194 CA ASP A 14 -19.026 7.702 -0.736 1.00 0.00 C ATOM 195 C ASP A 14 -17.792 7.178 -1.460 1.00 0.00 C ATOM 196 O ASP A 14 -17.269 7.804 -2.382 1.00 0.00 O ATOM 197 CB ASP A 14 -18.643 8.232 0.645 1.00 0.00 C ATOM 198 CG ASP A 14 -17.716 9.427 0.552 1.00 0.00 C ATOM 199 OD1 ASP A 14 -18.206 10.562 0.478 1.00 0.00 O ATOM 200 OD2 ASP A 14 -16.496 9.250 0.545 1.00 0.00 O ATOM 0 H ASP A 14 -19.859 6.024 0.194 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.466 8.524 -1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.545 8.513 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.159 7.440 1.217 1.00 0.00 H new ATOM 205 N ALA A 15 -17.402 5.971 -1.080 1.00 0.00 N ATOM 206 CA ALA A 15 -16.232 5.278 -1.615 1.00 0.00 C ATOM 207 C ALA A 15 -16.396 4.952 -3.106 1.00 0.00 C ATOM 208 O ALA A 15 -15.415 4.865 -3.854 1.00 0.00 O ATOM 209 CB ALA A 15 -15.999 4.003 -0.811 1.00 0.00 C ATOM 0 H ALA A 15 -17.900 5.430 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.367 5.936 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.127 3.479 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.828 4.258 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.875 3.359 -0.889 1.00 0.00 H new ATOM 215 N LYS A 16 -17.639 4.788 -3.538 1.00 0.00 N ATOM 216 CA LYS A 16 -17.938 4.472 -4.925 1.00 0.00 C ATOM 217 C LYS A 16 -17.512 5.575 -5.881 1.00 0.00 C ATOM 218 O LYS A 16 -17.299 5.307 -7.035 1.00 0.00 O ATOM 219 CB LYS A 16 -19.407 4.081 -5.155 1.00 0.00 C ATOM 220 CG LYS A 16 -20.415 5.181 -4.900 1.00 0.00 C ATOM 221 CD LYS A 16 -21.839 4.697 -5.133 1.00 0.00 C ATOM 222 CE LYS A 16 -22.849 5.824 -4.953 1.00 0.00 C ATOM 223 NZ LYS A 16 -22.655 6.904 -5.942 1.00 0.00 N ATOM 0 H LYS A 16 -18.462 4.870 -2.941 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.337 3.591 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.518 3.740 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.646 3.235 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.314 5.538 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.205 6.027 -5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.925 4.287 -6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -22.067 3.888 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -23.859 5.424 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.760 6.233 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.496 7.516 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.821 7.468 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.512 6.490 -6.885 1.00 0.00 H new ATOM 237 N ALA A 17 -17.383 6.811 -5.393 1.00 0.00 N ATOM 238 CA ALA A 17 -16.993 7.944 -6.247 1.00 0.00 C ATOM 239 C ALA A 17 -15.625 7.716 -6.925 1.00 0.00 C ATOM 240 O ALA A 17 -15.396 8.157 -8.058 1.00 0.00 O ATOM 241 CB ALA A 17 -17.000 9.254 -5.462 1.00 0.00 C ATOM 0 H ALA A 17 -17.541 7.056 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.738 8.016 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.708 10.073 -6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.001 9.440 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.296 9.185 -4.633 1.00 0.00 H new ATOM 247 N ALA A 18 -14.731 7.013 -6.247 1.00 0.00 N ATOM 248 CA ALA A 18 -13.429 6.695 -6.806 1.00 0.00 C ATOM 249 C ALA A 18 -13.537 5.559 -7.817 1.00 0.00 C ATOM 250 O ALA A 18 -12.775 5.488 -8.786 1.00 0.00 O ATOM 251 CB ALA A 18 -12.462 6.352 -5.703 1.00 0.00 C ATOM 0 H ALA A 18 -14.885 6.651 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 18 -13.051 7.571 -7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.489 6.115 -6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.363 7.202 -5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.833 5.490 -5.149 1.00 0.00 H new ATOM 257 N TYR A 19 -14.487 4.688 -7.609 1.00 0.00 N ATOM 258 CA TYR A 19 -14.731 3.617 -8.522 1.00 0.00 C ATOM 259 C TYR A 19 -15.495 4.141 -9.731 1.00 0.00 C ATOM 260 O TYR A 19 -15.252 3.724 -10.861 1.00 0.00 O ATOM 261 CB TYR A 19 -15.436 2.456 -7.797 1.00 0.00 C ATOM 262 CG TYR A 19 -16.378 1.642 -8.639 1.00 0.00 C ATOM 263 CD1 TYR A 19 -15.912 0.674 -9.518 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.740 1.851 -8.552 1.00 0.00 C ATOM 265 CE1 TYR A 19 -16.788 -0.062 -10.293 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.624 1.121 -9.318 1.00 0.00 C ATOM 267 CZ TYR A 19 -18.146 0.168 -10.187 1.00 0.00 C ATOM 268 OH TYR A 19 -19.029 -0.562 -10.956 1.00 0.00 O ATOM 0 H TYR A 19 -15.110 4.705 -6.802 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.792 3.212 -8.899 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.675 1.791 -7.388 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.991 2.863 -6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.850 0.494 -9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.120 2.599 -7.872 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.414 -0.811 -10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.686 1.297 -9.236 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.946 -0.278 -10.760 1.00 0.00 H new ATOM 278 N ASP A 20 -16.357 5.101 -9.488 1.00 0.00 N ATOM 279 CA ASP A 20 -17.124 5.765 -10.553 1.00 0.00 C ATOM 280 C ASP A 20 -16.185 6.508 -11.485 1.00 0.00 C ATOM 281 O ASP A 20 -16.428 6.605 -12.682 1.00 0.00 O ATOM 282 CB ASP A 20 -18.165 6.733 -9.972 1.00 0.00 C ATOM 283 CG ASP A 20 -18.961 7.463 -11.044 1.00 0.00 C ATOM 284 OD1 ASP A 20 -19.966 6.909 -11.552 1.00 0.00 O ATOM 285 OD2 ASP A 20 -18.619 8.611 -11.381 1.00 0.00 O ATOM 0 H ASP A 20 -16.557 5.454 -8.552 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.656 4.996 -11.114 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.851 6.179 -9.332 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.661 7.464 -9.340 1.00 0.00 H new ATOM 290 N ALA A 21 -15.070 6.975 -10.921 1.00 0.00 N ATOM 291 CA ALA A 21 -14.028 7.674 -11.673 1.00 0.00 C ATOM 292 C ALA A 21 -13.359 6.746 -12.702 1.00 0.00 C ATOM 293 O ALA A 21 -12.699 7.209 -13.625 1.00 0.00 O ATOM 294 CB ALA A 21 -12.990 8.254 -10.724 1.00 0.00 C ATOM 0 H ALA A 21 -14.864 6.879 -9.927 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.500 8.490 -12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.221 8.771 -11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.471 8.958 -10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.533 7.449 -10.148 1.00 0.00 H new ATOM 300 N GLY A 22 -13.532 5.440 -12.532 1.00 0.00 N ATOM 301 CA GLY A 22 -13.004 4.521 -13.507 1.00 0.00 C ATOM 302 C GLY A 22 -12.407 3.276 -12.917 1.00 0.00 C ATOM 303 O GLY A 22 -11.686 2.566 -13.612 1.00 0.00 O ATOM 0 H GLY A 22 -14.022 5.011 -11.747 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.802 4.238 -14.193 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.243 5.032 -14.097 1.00 0.00 H new ATOM 307 N ALA A 23 -12.706 3.003 -11.625 1.00 0.00 N ATOM 308 CA ALA A 23 -12.177 1.827 -10.895 1.00 0.00 C ATOM 309 C ALA A 23 -10.652 1.827 -10.899 1.00 0.00 C ATOM 310 O ALA A 23 -10.016 0.783 -10.718 1.00 0.00 O ATOM 311 CB ALA A 23 -12.729 0.526 -11.491 1.00 0.00 C ATOM 0 H ALA A 23 -13.320 3.591 -11.061 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.509 1.891 -9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.328 -0.325 -10.941 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.817 0.525 -11.419 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.435 0.452 -12.538 1.00 0.00 H new ATOM 317 N ILE A 24 -10.095 3.037 -11.013 1.00 0.00 N ATOM 318 CA ILE A 24 -8.669 3.261 -11.161 1.00 0.00 C ATOM 319 C ILE A 24 -7.902 2.664 -10.013 1.00 0.00 C ATOM 320 O ILE A 24 -7.173 1.692 -10.199 1.00 0.00 O ATOM 321 CB ILE A 24 -8.343 4.783 -11.283 1.00 0.00 C ATOM 322 CG1 ILE A 24 -9.172 5.417 -12.418 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.846 4.989 -11.540 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.995 6.918 -12.562 1.00 0.00 C ATOM 0 H ILE A 24 -10.640 3.899 -11.004 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.360 2.766 -12.082 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.605 5.271 -10.344 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.901 4.940 -13.360 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.227 5.203 -12.244 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.634 6.055 -11.623 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.274 4.568 -10.713 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.564 4.490 -12.467 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.614 7.280 -13.383 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.295 7.410 -11.637 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.949 7.143 -12.770 1.00 0.00 H new ATOM 336 N TYR A 25 -8.089 3.236 -8.844 1.00 0.00 N ATOM 337 CA TYR A 25 -7.431 2.807 -7.632 1.00 0.00 C ATOM 338 C TYR A 25 -7.916 3.674 -6.476 1.00 0.00 C ATOM 339 O TYR A 25 -8.460 4.764 -6.705 1.00 0.00 O ATOM 340 CB TYR A 25 -5.877 2.817 -7.800 1.00 0.00 C ATOM 341 CG TYR A 25 -5.163 3.932 -7.163 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.003 5.149 -7.786 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.653 3.758 -5.917 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.342 6.165 -7.154 1.00 0.00 C ATOM 345 CE2 TYR A 25 -4.007 4.738 -5.278 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.843 5.957 -5.885 1.00 0.00 C ATOM 347 OH TYR A 25 -3.175 6.967 -5.232 1.00 0.00 O ATOM 0 H TYR A 25 -8.716 4.029 -8.708 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.692 1.773 -7.409 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.483 1.884 -7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.648 2.827 -8.866 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.401 5.302 -8.778 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.773 2.802 -5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.212 7.119 -7.643 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.615 4.570 -4.286 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.891 6.653 -4.348 1.00 0.00 H new ATOM 357 N GLY A 26 -7.757 3.192 -5.278 1.00 0.00 N ATOM 358 CA GLY A 26 -8.092 3.942 -4.104 1.00 0.00 C ATOM 359 C GLY A 26 -6.876 4.008 -3.217 1.00 0.00 C ATOM 360 O GLY A 26 -6.131 3.030 -3.129 1.00 0.00 O ATOM 0 H GLY A 26 -7.388 2.260 -5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.418 4.946 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.921 3.470 -3.576 1.00 0.00 H new ATOM 364 N GLY A 27 -6.667 5.122 -2.566 1.00 0.00 N ATOM 365 CA GLY A 27 -5.455 5.303 -1.799 1.00 0.00 C ATOM 366 C GLY A 27 -5.713 5.198 -0.331 1.00 0.00 C ATOM 367 O GLY A 27 -5.794 6.213 0.372 1.00 0.00 O ATOM 0 H GLY A 27 -7.311 5.913 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.721 4.553 -2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.023 6.278 -2.024 1.00 0.00 H new ATOM 371 N LEU A 28 -5.833 3.994 0.136 1.00 0.00 N ATOM 372 CA LEU A 28 -6.137 3.736 1.492 1.00 0.00 C ATOM 373 C LEU A 28 -4.985 3.033 2.144 1.00 0.00 C ATOM 374 O LEU A 28 -4.255 2.291 1.505 1.00 0.00 O ATOM 375 CB LEU A 28 -7.505 2.966 1.676 1.00 0.00 C ATOM 376 CG LEU A 28 -7.707 1.515 1.088 1.00 0.00 C ATOM 377 CD1 LEU A 28 -7.450 1.424 -0.412 1.00 0.00 C ATOM 378 CD2 LEU A 28 -6.914 0.452 1.850 1.00 0.00 C ATOM 0 H LEU A 28 -5.719 3.154 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.283 4.691 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.696 2.906 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.286 3.595 1.248 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.766 1.301 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.608 0.399 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.135 2.087 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.423 1.721 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.091 -0.525 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.851 0.686 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.234 0.437 2.892 1.00 0.00 H new ATOM 390 N ILE A 29 -4.790 3.312 3.377 1.00 0.00 N ATOM 391 CA ILE A 29 -3.747 2.672 4.129 1.00 0.00 C ATOM 392 C ILE A 29 -4.251 1.872 5.250 1.00 0.00 C ATOM 393 O ILE A 29 -5.317 2.168 5.799 1.00 0.00 O ATOM 394 CB ILE A 29 -2.663 3.609 4.600 1.00 0.00 C ATOM 395 CG1 ILE A 29 -3.237 4.979 5.024 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.632 3.692 3.535 1.00 0.00 C ATOM 397 CD1 ILE A 29 -2.212 5.943 5.576 1.00 0.00 C ATOM 0 H ILE A 29 -5.341 3.988 3.906 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.290 1.993 3.409 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.190 3.224 5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.722 5.438 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.009 4.818 5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.835 4.365 3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.218 2.701 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.085 4.072 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.701 6.878 5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.743 5.509 6.459 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.452 6.138 4.820 1.00 0.00 H new ATOM 409 N PHE A 30 -3.460 0.898 5.633 1.00 0.00 N ATOM 410 CA PHE A 30 -3.863 -0.030 6.688 1.00 0.00 C ATOM 411 C PHE A 30 -3.548 0.573 8.049 1.00 0.00 C ATOM 412 O PHE A 30 -2.524 0.246 8.657 1.00 0.00 O ATOM 413 CB PHE A 30 -3.153 -1.418 6.607 1.00 0.00 C ATOM 414 CG PHE A 30 -3.147 -2.122 5.266 1.00 0.00 C ATOM 415 CD1 PHE A 30 -4.221 -2.910 4.828 1.00 0.00 C ATOM 416 CD2 PHE A 30 -2.036 -2.013 4.454 1.00 0.00 C ATOM 417 CE1 PHE A 30 -4.158 -3.554 3.584 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.976 -2.646 3.239 1.00 0.00 C ATOM 419 CZ PHE A 30 -3.026 -3.410 2.800 1.00 0.00 C ATOM 0 H PHE A 30 -2.536 0.720 5.239 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.932 -0.192 6.550 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.118 -1.286 6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.625 -2.080 7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.097 -3.021 5.449 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.197 -1.417 4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.985 -4.157 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.095 -2.542 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.970 -3.901 1.840 1.00 0.00 H new ATOM 429 N VAL A 31 -4.353 1.503 8.499 1.00 0.00 N ATOM 430 CA VAL A 31 -4.143 2.036 9.815 1.00 0.00 C ATOM 431 C VAL A 31 -5.229 1.503 10.704 1.00 0.00 C ATOM 432 O VAL A 31 -6.423 1.699 10.418 1.00 0.00 O ATOM 433 CB VAL A 31 -4.078 3.585 9.848 1.00 0.00 C ATOM 434 CG1 VAL A 31 -3.866 4.082 11.268 1.00 0.00 C ATOM 435 CG2 VAL A 31 -2.950 4.083 8.955 1.00 0.00 C ATOM 0 H VAL A 31 -5.141 1.897 7.985 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.165 1.714 10.173 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.026 3.975 9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.823 5.171 11.270 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.692 3.750 11.897 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.930 3.682 11.658 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.915 5.172 8.987 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.001 3.679 9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.125 3.755 7.930 1.00 0.00 H new ATOM 445 N ALA A 32 -4.800 0.821 11.759 1.00 0.00 N ATOM 446 CA ALA A 32 -5.643 0.074 12.674 1.00 0.00 C ATOM 447 C ALA A 32 -6.857 0.839 13.148 1.00 0.00 C ATOM 448 O ALA A 32 -6.774 1.697 14.045 1.00 0.00 O ATOM 449 CB ALA A 32 -4.831 -0.430 13.861 1.00 0.00 C ATOM 0 H ALA A 32 -3.812 0.774 12.008 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.025 -0.774 12.106 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.481 -0.988 14.536 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.032 -1.081 13.505 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.398 0.418 14.392 1.00 0.00 H new ATOM 455 N THR A 33 -7.974 0.549 12.500 1.00 0.00 N ATOM 456 CA THR A 33 -9.308 1.040 12.833 1.00 0.00 C ATOM 457 C THR A 33 -9.457 2.569 12.825 1.00 0.00 C ATOM 458 O THR A 33 -10.361 3.110 13.455 1.00 0.00 O ATOM 459 CB THR A 33 -9.847 0.404 14.147 1.00 0.00 C ATOM 460 OG1 THR A 33 -8.954 0.654 15.259 1.00 0.00 O ATOM 461 CG2 THR A 33 -9.986 -1.093 13.946 1.00 0.00 C ATOM 0 H THR A 33 -7.978 -0.066 11.686 1.00 0.00 H new ATOM 0 HA THR A 33 -9.940 0.704 12.011 1.00 0.00 H new ATOM 0 HB THR A 33 -10.813 0.853 14.378 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.319 0.244 16.071 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.363 -1.550 14.861 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.682 -1.287 13.130 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.013 -1.519 13.702 1.00 0.00 H new ATOM 469 N SER A 34 -8.621 3.249 12.069 1.00 0.00 N ATOM 470 CA SER A 34 -8.737 4.670 11.945 1.00 0.00 C ATOM 471 C SER A 34 -9.638 4.961 10.769 1.00 0.00 C ATOM 472 O SER A 34 -9.293 4.630 9.669 1.00 0.00 O ATOM 473 CB SER A 34 -7.360 5.292 11.793 1.00 0.00 C ATOM 474 OG SER A 34 -6.537 4.914 12.895 1.00 0.00 O ATOM 0 H SER A 34 -7.858 2.833 11.535 1.00 0.00 H new ATOM 0 HA SER A 34 -9.178 5.111 12.839 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.904 4.966 10.858 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.444 6.378 11.745 1.00 0.00 H new ATOM 0 HG SER A 34 -5.709 5.438 12.879 1.00 0.00 H new ATOM 480 N PRO A 35 -10.815 5.586 11.008 1.00 0.00 N ATOM 481 CA PRO A 35 -11.879 5.787 9.988 1.00 0.00 C ATOM 482 C PRO A 35 -11.472 6.539 8.709 1.00 0.00 C ATOM 483 O PRO A 35 -12.271 6.649 7.793 1.00 0.00 O ATOM 484 CB PRO A 35 -12.971 6.559 10.742 1.00 0.00 C ATOM 485 CG PRO A 35 -12.283 7.128 11.929 1.00 0.00 C ATOM 486 CD PRO A 35 -11.229 6.139 12.309 1.00 0.00 C ATOM 0 HA PRO A 35 -12.183 4.816 9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.401 7.344 10.120 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.789 5.901 11.036 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.842 8.098 11.697 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.984 7.285 12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.397 6.614 12.829 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.620 5.366 12.971 1.00 0.00 H new ATOM 494 N ARG A 36 -10.270 7.082 8.653 1.00 0.00 N ATOM 495 CA ARG A 36 -9.800 7.730 7.435 1.00 0.00 C ATOM 496 C ARG A 36 -8.711 6.856 6.762 1.00 0.00 C ATOM 497 O ARG A 36 -8.025 7.257 5.829 1.00 0.00 O ATOM 498 CB ARG A 36 -9.316 9.160 7.730 1.00 0.00 C ATOM 499 CG ARG A 36 -9.001 9.990 6.491 1.00 0.00 C ATOM 500 CD ARG A 36 -8.698 11.419 6.855 1.00 0.00 C ATOM 501 NE ARG A 36 -8.358 12.235 5.689 1.00 0.00 N ATOM 502 CZ ARG A 36 -7.994 13.522 5.739 1.00 0.00 C ATOM 503 NH1 ARG A 36 -7.970 14.176 6.902 1.00 0.00 N ATOM 504 NH2 ARG A 36 -7.673 14.149 4.622 1.00 0.00 N ATOM 0 H ARG A 36 -9.605 7.090 9.426 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.626 7.824 6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.080 9.675 8.312 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.423 9.106 8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.149 9.557 5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.847 9.958 5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.562 11.853 7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.871 11.442 7.564 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.402 11.791 4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.230 13.695 7.763 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.691 15.157 6.930 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.704 13.653 3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.394 15.130 4.650 1.00 0.00 H new ATOM 518 N CYS A 37 -8.582 5.651 7.233 1.00 0.00 N ATOM 519 CA CYS A 37 -7.717 4.660 6.700 1.00 0.00 C ATOM 520 C CYS A 37 -8.510 3.370 6.774 1.00 0.00 C ATOM 521 O CYS A 37 -9.596 3.378 7.332 1.00 0.00 O ATOM 522 CB CYS A 37 -6.467 4.595 7.549 1.00 0.00 C ATOM 523 SG CYS A 37 -5.591 6.178 7.652 1.00 0.00 S ATOM 0 H CYS A 37 -9.109 5.323 8.043 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.399 4.863 5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.735 4.269 8.554 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.795 3.841 7.138 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.811 6.175 8.692 1.00 0.00 H new ATOM 529 N VAL A 38 -8.053 2.309 6.197 1.00 0.00 N ATOM 530 CA VAL A 38 -8.804 1.095 6.260 1.00 0.00 C ATOM 531 C VAL A 38 -7.869 -0.084 6.288 1.00 0.00 C ATOM 532 O VAL A 38 -6.893 -0.140 5.554 1.00 0.00 O ATOM 533 CB VAL A 38 -9.844 1.027 5.060 1.00 0.00 C ATOM 534 CG1 VAL A 38 -9.887 -0.321 4.383 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.250 1.378 5.542 1.00 0.00 C ATOM 0 H VAL A 38 -7.174 2.254 5.682 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.386 1.067 7.182 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.497 1.757 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.617 -0.299 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.903 -0.556 3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.172 -1.083 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.946 1.325 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.557 0.672 6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.252 2.388 5.952 1.00 0.00 H new ATOM 545 N ASN A 39 -8.178 -1.006 7.134 1.00 0.00 N ATOM 546 CA ASN A 39 -7.437 -2.222 7.247 1.00 0.00 C ATOM 547 C ASN A 39 -8.141 -3.309 6.568 1.00 0.00 C ATOM 548 O ASN A 39 -9.319 -3.154 6.218 1.00 0.00 O ATOM 549 CB ASN A 39 -7.052 -2.564 8.693 1.00 0.00 C ATOM 550 CG ASN A 39 -8.140 -2.319 9.686 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.288 -1.214 10.209 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.855 -3.318 10.005 1.00 0.00 N ATOM 0 H ASN A 39 -8.965 -0.938 7.779 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.483 -2.076 6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.759 -3.613 8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.178 -1.976 8.974 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.580 -3.220 10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.704 -4.219 9.551 1.00 0.00 H new ATOM 559 N VAL A 40 -7.433 -4.401 6.375 1.00 0.00 N ATOM 560 CA VAL A 40 -7.896 -5.573 5.646 1.00 0.00 C ATOM 561 C VAL A 40 -9.333 -5.975 5.972 1.00 0.00 C ATOM 562 O VAL A 40 -10.105 -6.295 5.068 1.00 0.00 O ATOM 563 CB VAL A 40 -6.882 -6.774 5.802 1.00 0.00 C ATOM 564 CG1 VAL A 40 -6.422 -6.927 7.233 1.00 0.00 C ATOM 565 CG2 VAL A 40 -7.474 -8.097 5.319 1.00 0.00 C ATOM 0 H VAL A 40 -6.484 -4.506 6.733 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.921 -5.290 4.594 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.026 -6.530 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.725 -7.762 7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.925 -6.012 7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.283 -7.117 7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.740 -8.892 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.366 -8.330 5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.739 -8.014 4.265 1.00 0.00 H new ATOM 575 N GLU A 41 -9.717 -5.829 7.215 1.00 0.00 N ATOM 576 CA GLU A 41 -10.999 -6.276 7.656 1.00 0.00 C ATOM 577 C GLU A 41 -12.141 -5.355 7.188 1.00 0.00 C ATOM 578 O GLU A 41 -13.256 -5.814 6.954 1.00 0.00 O ATOM 579 CB GLU A 41 -10.978 -6.391 9.140 1.00 0.00 C ATOM 580 CG GLU A 41 -9.919 -7.323 9.681 1.00 0.00 C ATOM 581 CD GLU A 41 -8.731 -6.564 10.231 1.00 0.00 C ATOM 582 OE1 GLU A 41 -8.111 -5.779 9.479 1.00 0.00 O ATOM 583 OE2 GLU A 41 -8.414 -6.710 11.432 1.00 0.00 O ATOM 0 H GLU A 41 -9.146 -5.397 7.942 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.198 -7.249 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.824 -5.400 9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.955 -6.736 9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.349 -7.945 10.467 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.587 -7.994 8.889 1.00 0.00 H new ATOM 590 N GLN A 42 -11.877 -4.072 7.073 1.00 0.00 N ATOM 591 CA GLN A 42 -12.873 -3.167 6.517 1.00 0.00 C ATOM 592 C GLN A 42 -12.805 -3.199 5.012 1.00 0.00 C ATOM 593 O GLN A 42 -13.819 -3.205 4.340 1.00 0.00 O ATOM 594 CB GLN A 42 -12.637 -1.761 7.001 1.00 0.00 C ATOM 595 CG GLN A 42 -12.977 -1.540 8.449 1.00 0.00 C ATOM 596 CD GLN A 42 -12.094 -0.535 9.059 1.00 0.00 C ATOM 597 OE1 GLN A 42 -12.350 0.659 9.033 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.077 -1.011 9.658 1.00 0.00 N ATOM 0 H GLN A 42 -10.999 -3.632 7.350 1.00 0.00 H new ATOM 0 HA GLN A 42 -13.860 -3.491 6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.589 -1.506 6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.227 -1.076 6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.014 -1.216 8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.890 -2.481 8.993 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.906 -2.016 9.652 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.433 -0.387 10.145 1.00 0.00 H new ATOM 607 N ALA A 43 -11.586 -3.296 4.496 1.00 0.00 N ATOM 608 CA ALA A 43 -11.309 -3.236 3.055 1.00 0.00 C ATOM 609 C ALA A 43 -12.108 -4.247 2.266 1.00 0.00 C ATOM 610 O ALA A 43 -12.560 -3.957 1.169 1.00 0.00 O ATOM 611 CB ALA A 43 -9.826 -3.425 2.793 1.00 0.00 C ATOM 0 H ALA A 43 -10.750 -3.420 5.067 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.617 -2.247 2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.637 -3.378 1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.264 -2.637 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.510 -4.396 3.175 1.00 0.00 H new ATOM 617 N GLN A 44 -12.306 -5.413 2.839 1.00 0.00 N ATOM 618 CA GLN A 44 -13.036 -6.441 2.219 1.00 0.00 C ATOM 619 C GLN A 44 -14.491 -6.088 1.983 1.00 0.00 C ATOM 620 O GLN A 44 -15.099 -6.493 1.000 1.00 0.00 O ATOM 621 CB GLN A 44 -12.900 -7.665 3.006 1.00 0.00 C ATOM 622 CG GLN A 44 -13.091 -7.601 4.483 1.00 0.00 C ATOM 623 CD GLN A 44 -12.306 -8.716 5.079 1.00 0.00 C ATOM 624 OE1 GLN A 44 -12.687 -9.313 6.083 1.00 0.00 O ATOM 625 NE2 GLN A 44 -11.128 -8.922 4.511 1.00 0.00 N ATOM 0 H GLN A 44 -11.949 -5.655 3.763 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.617 -6.594 1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.614 -8.389 2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.904 -8.066 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.752 -6.641 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.146 -7.695 4.738 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.865 -8.396 3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.484 -9.606 4.907 1.00 0.00 H new ATOM 634 N GLU A 45 -15.018 -5.320 2.874 1.00 0.00 N ATOM 635 CA GLU A 45 -16.378 -4.842 2.789 1.00 0.00 C ATOM 636 C GLU A 45 -16.435 -3.715 1.783 1.00 0.00 C ATOM 637 O GLU A 45 -17.283 -3.696 0.890 1.00 0.00 O ATOM 638 CB GLU A 45 -16.826 -4.304 4.139 1.00 0.00 C ATOM 639 CG GLU A 45 -16.665 -5.284 5.292 1.00 0.00 C ATOM 640 CD GLU A 45 -17.361 -6.594 5.039 1.00 0.00 C ATOM 641 OE1 GLU A 45 -18.585 -6.700 5.282 1.00 0.00 O ATOM 642 OE2 GLU A 45 -16.700 -7.550 4.609 1.00 0.00 O ATOM 0 H GLU A 45 -14.517 -4.994 3.701 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.029 -5.663 2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.258 -3.401 4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.874 -4.012 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.604 -5.467 5.463 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.062 -4.836 6.203 1.00 0.00 H new ATOM 649 N VAL A 46 -15.483 -2.807 1.903 1.00 0.00 N ATOM 650 CA VAL A 46 -15.422 -1.627 1.063 1.00 0.00 C ATOM 651 C VAL A 46 -15.203 -2.021 -0.415 1.00 0.00 C ATOM 652 O VAL A 46 -15.740 -1.395 -1.325 1.00 0.00 O ATOM 653 CB VAL A 46 -14.301 -0.636 1.512 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.472 0.707 0.852 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.252 -0.470 3.018 1.00 0.00 C ATOM 0 H VAL A 46 -14.729 -2.868 2.588 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.380 -1.118 1.168 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.353 -1.071 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.679 1.378 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.421 0.590 -0.230 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.440 1.127 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.457 0.228 3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.207 -0.083 3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.056 -1.436 3.484 1.00 0.00 H new ATOM 665 N MET A 47 -14.444 -3.093 -0.649 1.00 0.00 N ATOM 666 CA MET A 47 -14.168 -3.548 -2.017 1.00 0.00 C ATOM 667 C MET A 47 -15.405 -4.159 -2.662 1.00 0.00 C ATOM 668 O MET A 47 -15.470 -4.311 -3.880 1.00 0.00 O ATOM 669 CB MET A 47 -12.957 -4.504 -2.093 1.00 0.00 C ATOM 670 CG MET A 47 -13.155 -5.897 -1.528 1.00 0.00 C ATOM 671 SD MET A 47 -11.630 -6.865 -1.586 1.00 0.00 S ATOM 672 CE MET A 47 -12.198 -8.453 -0.992 1.00 0.00 C ATOM 0 H MET A 47 -14.012 -3.659 0.082 1.00 0.00 H new ATOM 0 HA MET A 47 -13.898 -2.661 -2.590 1.00 0.00 H new ATOM 0 HB2 MET A 47 -12.663 -4.599 -3.138 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.122 -4.039 -1.568 1.00 0.00 H new ATOM 0 HG2 MET A 47 -13.502 -5.826 -0.497 1.00 0.00 H new ATOM 0 HG3 MET A 47 -13.934 -6.411 -2.091 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.388 -8.954 -0.462 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.040 -8.308 -0.315 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.513 -9.066 -1.837 1.00 0.00 H new ATOM 682 N ALA A 48 -16.391 -4.491 -1.848 1.00 0.00 N ATOM 683 CA ALA A 48 -17.642 -4.995 -2.360 1.00 0.00 C ATOM 684 C ALA A 48 -18.556 -3.816 -2.688 1.00 0.00 C ATOM 685 O ALA A 48 -19.505 -3.934 -3.471 1.00 0.00 O ATOM 686 CB ALA A 48 -18.300 -5.929 -1.352 1.00 0.00 C ATOM 0 H ALA A 48 -16.345 -4.419 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.457 -5.570 -3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.242 -6.298 -1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -17.638 -6.771 -1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.492 -5.388 -0.426 1.00 0.00 H new ATOM 692 N ALA A 49 -18.246 -2.672 -2.098 1.00 0.00 N ATOM 693 CA ALA A 49 -19.014 -1.459 -2.295 1.00 0.00 C ATOM 694 C ALA A 49 -18.502 -0.673 -3.505 1.00 0.00 C ATOM 695 O ALA A 49 -19.295 -0.136 -4.286 1.00 0.00 O ATOM 696 CB ALA A 49 -18.983 -0.603 -1.040 1.00 0.00 C ATOM 0 H ALA A 49 -17.452 -2.562 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.048 -1.739 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.564 0.304 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.410 -1.162 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.952 -0.336 -0.807 1.00 0.00 H new ATOM 702 N ALA A 50 -17.190 -0.609 -3.660 1.00 0.00 N ATOM 703 CA ALA A 50 -16.581 0.050 -4.745 1.00 0.00 C ATOM 704 C ALA A 50 -15.447 -0.830 -5.198 1.00 0.00 C ATOM 705 O ALA A 50 -14.386 -0.845 -4.578 1.00 0.00 O ATOM 706 CB ALA A 50 -16.074 1.417 -4.315 1.00 0.00 C ATOM 0 H ALA A 50 -16.527 -1.030 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.288 0.216 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.606 1.915 -5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.909 2.019 -3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.343 1.299 -3.515 1.00 0.00 H new ATOM 712 N PRO A 51 -15.672 -1.644 -6.232 1.00 0.00 N ATOM 713 CA PRO A 51 -14.682 -2.602 -6.716 1.00 0.00 C ATOM 714 C PRO A 51 -13.523 -1.948 -7.503 1.00 0.00 C ATOM 715 O PRO A 51 -13.183 -2.354 -8.622 1.00 0.00 O ATOM 716 CB PRO A 51 -15.495 -3.568 -7.592 1.00 0.00 C ATOM 717 CG PRO A 51 -16.923 -3.120 -7.518 1.00 0.00 C ATOM 718 CD PRO A 51 -16.917 -1.719 -7.005 1.00 0.00 C ATOM 0 HA PRO A 51 -14.176 -3.100 -5.889 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.137 -3.551 -8.621 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.392 -4.593 -7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -17.393 -3.169 -8.500 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.497 -3.770 -6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.929 -0.993 -7.818 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.789 -1.515 -6.383 1.00 0.00 H new ATOM 726 N LEU A 52 -12.911 -0.979 -6.879 1.00 0.00 N ATOM 727 CA LEU A 52 -11.768 -0.270 -7.397 1.00 0.00 C ATOM 728 C LEU A 52 -10.500 -0.972 -6.945 1.00 0.00 C ATOM 729 O LEU A 52 -10.558 -1.878 -6.116 1.00 0.00 O ATOM 730 CB LEU A 52 -11.811 1.224 -6.950 1.00 0.00 C ATOM 731 CG LEU A 52 -12.321 1.487 -5.514 1.00 0.00 C ATOM 732 CD1 LEU A 52 -11.283 1.213 -4.454 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.910 2.864 -5.361 1.00 0.00 C ATOM 0 H LEU A 52 -13.204 -0.647 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.785 -0.274 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.807 1.638 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.445 1.773 -7.646 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.123 0.766 -5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.705 1.417 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.975 0.169 -4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.417 1.855 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.254 3.001 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.152 3.612 -5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.752 2.978 -6.044 1.00 0.00 H new ATOM 745 N GLN A 53 -9.397 -0.593 -7.503 1.00 0.00 N ATOM 746 CA GLN A 53 -8.133 -1.179 -7.200 1.00 0.00 C ATOM 747 C GLN A 53 -7.672 -0.750 -5.784 1.00 0.00 C ATOM 748 O GLN A 53 -7.835 0.408 -5.393 1.00 0.00 O ATOM 749 CB GLN A 53 -7.164 -0.672 -8.244 1.00 0.00 C ATOM 750 CG GLN A 53 -6.108 -1.632 -8.670 1.00 0.00 C ATOM 751 CD GLN A 53 -5.270 -2.111 -7.532 1.00 0.00 C ATOM 752 OE1 GLN A 53 -5.563 -3.144 -6.927 1.00 0.00 O ATOM 753 NE2 GLN A 53 -4.260 -1.359 -7.184 1.00 0.00 N ATOM 0 H GLN A 53 -9.349 0.151 -8.199 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.188 -2.268 -7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.732 -0.372 -9.124 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.679 0.224 -7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.576 -2.488 -9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.467 -1.155 -9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.050 -0.511 -7.711 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.681 -1.620 -6.386 1.00 0.00 H new ATOM 762 N TYR A 54 -7.091 -1.671 -5.057 1.00 0.00 N ATOM 763 CA TYR A 54 -6.606 -1.425 -3.725 1.00 0.00 C ATOM 764 C TYR A 54 -5.100 -1.493 -3.681 1.00 0.00 C ATOM 765 O TYR A 54 -4.467 -2.379 -4.297 1.00 0.00 O ATOM 766 CB TYR A 54 -7.205 -2.409 -2.709 1.00 0.00 C ATOM 767 CG TYR A 54 -8.591 -2.058 -2.254 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.660 -2.074 -3.121 1.00 0.00 C ATOM 769 CD2 TYR A 54 -8.816 -1.684 -0.944 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.913 -1.717 -2.699 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.066 -1.335 -0.511 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.108 -1.345 -1.393 1.00 0.00 C ATOM 773 OH TYR A 54 -12.345 -0.979 -0.975 1.00 0.00 O ATOM 0 H TYR A 54 -6.940 -2.627 -5.380 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.925 -0.420 -3.449 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.222 -3.405 -3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.551 -2.458 -1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.509 -2.372 -4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.990 -1.667 -0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.743 -1.728 -3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.227 -1.054 0.519 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.915 -0.804 -1.753 1.00 0.00 H new ATOM 783 N VAL A 55 -4.525 -0.582 -2.976 1.00 0.00 N ATOM 784 CA VAL A 55 -3.119 -0.545 -2.806 1.00 0.00 C ATOM 785 C VAL A 55 -2.862 -0.385 -1.339 1.00 0.00 C ATOM 786 O VAL A 55 -3.695 0.167 -0.627 1.00 0.00 O ATOM 787 CB VAL A 55 -2.454 0.614 -3.621 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.874 1.992 -3.113 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.940 0.475 -3.635 1.00 0.00 C ATOM 0 H VAL A 55 -5.026 0.166 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.675 -1.465 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.814 0.529 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.387 2.764 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.956 2.097 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.579 2.100 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.505 1.294 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.562 0.507 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.666 -0.475 -4.094 1.00 0.00 H new ATOM 799 N GLY A 56 -1.788 -0.919 -0.884 1.00 0.00 N ATOM 800 CA GLY A 56 -1.460 -0.787 0.508 1.00 0.00 C ATOM 801 C GLY A 56 -0.134 -0.148 0.713 1.00 0.00 C ATOM 802 O GLY A 56 0.757 -0.362 -0.062 1.00 0.00 O ATOM 0 H GLY A 56 -1.119 -1.450 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.228 -0.195 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.463 -1.772 0.976 1.00 0.00 H new ATOM 806 N VAL A 57 -0.020 0.656 1.740 1.00 0.00 N ATOM 807 CA VAL A 57 1.224 1.330 2.098 1.00 0.00 C ATOM 808 C VAL A 57 1.390 1.179 3.600 1.00 0.00 C ATOM 809 O VAL A 57 0.509 1.612 4.347 1.00 0.00 O ATOM 810 CB VAL A 57 1.174 2.864 1.765 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.505 3.545 2.026 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.690 3.141 0.347 1.00 0.00 C ATOM 0 H VAL A 57 -0.795 0.871 2.367 1.00 0.00 H new ATOM 0 HA VAL A 57 2.046 0.889 1.534 1.00 0.00 H new ATOM 0 HB VAL A 57 0.439 3.295 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.426 4.604 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.771 3.433 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.276 3.087 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.675 4.217 0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.363 2.666 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.315 2.739 0.221 1.00 0.00 H new ATOM 822 N PHE A 58 2.453 0.518 4.048 1.00 0.00 N ATOM 823 CA PHE A 58 2.672 0.331 5.481 1.00 0.00 C ATOM 824 C PHE A 58 4.049 -0.295 5.720 1.00 0.00 C ATOM 825 O PHE A 58 4.687 -0.784 4.782 1.00 0.00 O ATOM 826 CB PHE A 58 1.550 -0.579 6.058 1.00 0.00 C ATOM 827 CG PHE A 58 1.474 -0.634 7.554 1.00 0.00 C ATOM 828 CD1 PHE A 58 1.100 0.486 8.280 1.00 0.00 C ATOM 829 CD2 PHE A 58 1.757 -1.802 8.231 1.00 0.00 C ATOM 830 CE1 PHE A 58 1.015 0.438 9.656 1.00 0.00 C ATOM 831 CE2 PHE A 58 1.676 -1.856 9.602 1.00 0.00 C ATOM 832 CZ PHE A 58 1.307 -0.735 10.318 1.00 0.00 C ATOM 0 H PHE A 58 3.169 0.107 3.449 1.00 0.00 H new ATOM 0 HA PHE A 58 2.641 1.296 5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.591 -0.232 5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.696 -1.591 5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.873 1.406 7.763 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.045 -2.684 7.678 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.721 1.316 10.212 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.901 -2.777 10.120 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.247 -0.777 11.396 1.00 0.00 H new ATOM 842 N ARG A 59 4.550 -0.226 6.945 1.00 0.00 N ATOM 843 CA ARG A 59 5.750 -0.952 7.261 1.00 0.00 C ATOM 844 C ARG A 59 5.353 -2.262 7.905 1.00 0.00 C ATOM 845 O ARG A 59 5.073 -2.346 9.102 1.00 0.00 O ATOM 846 CB ARG A 59 6.789 -0.164 8.121 1.00 0.00 C ATOM 847 CG ARG A 59 6.356 0.265 9.522 1.00 0.00 C ATOM 848 CD ARG A 59 7.542 0.833 10.298 1.00 0.00 C ATOM 849 NE ARG A 59 8.623 -0.170 10.483 1.00 0.00 N ATOM 850 CZ ARG A 59 9.941 0.117 10.552 1.00 0.00 C ATOM 851 NH1 ARG A 59 10.355 1.380 10.470 1.00 0.00 N ATOM 852 NH2 ARG A 59 10.835 -0.860 10.709 1.00 0.00 N ATOM 0 H ARG A 59 4.149 0.314 7.712 1.00 0.00 H new ATOM 0 HA ARG A 59 6.283 -1.129 6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.683 -0.780 8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.076 0.730 7.568 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.567 1.014 9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.939 -0.588 10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.939 1.699 9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.202 1.183 11.273 1.00 0.00 H new ATOM 0 HE ARG A 59 8.349 -1.149 10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.676 2.133 10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.351 1.595 10.522 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.525 -1.829 10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.829 -0.638 10.761 1.00 0.00 H new ATOM 866 N ASN A 60 5.255 -3.256 7.106 1.00 0.00 N ATOM 867 CA ASN A 60 4.869 -4.523 7.551 1.00 0.00 C ATOM 868 C ASN A 60 6.115 -5.237 7.913 1.00 0.00 C ATOM 869 O ASN A 60 7.011 -5.403 7.120 1.00 0.00 O ATOM 870 CB ASN A 60 4.102 -5.274 6.468 1.00 0.00 C ATOM 871 CG ASN A 60 2.837 -4.553 5.999 1.00 0.00 C ATOM 872 OD1 ASN A 60 2.890 -3.713 5.108 1.00 0.00 O ATOM 873 ND2 ASN A 60 1.693 -4.899 6.549 1.00 0.00 N ATOM 0 H ASN A 60 5.447 -3.202 6.106 1.00 0.00 H new ATOM 0 HA ASN A 60 4.198 -4.449 8.407 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.759 -5.431 5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.829 -6.260 6.845 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.825 -4.466 6.235 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.675 -5.601 7.289 1.00 0.00 H new ATOM 880 N HIS A 61 6.181 -5.552 9.125 1.00 0.00 N ATOM 881 CA HIS A 61 7.320 -6.232 9.720 1.00 0.00 C ATOM 882 C HIS A 61 7.372 -7.682 9.264 1.00 0.00 C ATOM 883 O HIS A 61 8.443 -8.234 9.020 1.00 0.00 O ATOM 884 CB HIS A 61 7.237 -6.161 11.256 1.00 0.00 C ATOM 885 CG HIS A 61 7.091 -4.761 11.798 1.00 0.00 C ATOM 886 ND1 HIS A 61 6.159 -4.393 12.742 1.00 0.00 N ATOM 887 CD2 HIS A 61 7.782 -3.633 11.500 1.00 0.00 C ATOM 888 CE1 HIS A 61 6.306 -3.088 12.980 1.00 0.00 C ATOM 889 NE2 HIS A 61 7.283 -2.575 12.248 1.00 0.00 N ATOM 0 H HIS A 61 5.434 -5.353 9.791 1.00 0.00 H new ATOM 0 HA HIS A 61 8.232 -5.733 9.393 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.391 -6.760 11.592 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.135 -6.612 11.679 1.00 0.00 H new ATOM 0 HD1 HIS A 61 5.476 -5.009 13.182 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.594 -3.568 10.791 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.706 -2.524 13.679 1.00 0.00 H new ATOM 897 N ASP A 62 6.215 -8.294 9.157 1.00 0.00 N ATOM 898 CA ASP A 62 6.114 -9.679 8.732 1.00 0.00 C ATOM 899 C ASP A 62 5.758 -9.753 7.281 1.00 0.00 C ATOM 900 O ASP A 62 4.792 -9.119 6.848 1.00 0.00 O ATOM 901 CB ASP A 62 5.051 -10.441 9.523 1.00 0.00 C ATOM 902 CG ASP A 62 5.359 -10.570 10.978 1.00 0.00 C ATOM 903 OD1 ASP A 62 6.250 -11.352 11.349 1.00 0.00 O ATOM 904 OD2 ASP A 62 4.684 -9.911 11.796 1.00 0.00 O ATOM 0 H ASP A 62 5.319 -7.852 9.360 1.00 0.00 H new ATOM 0 HA ASP A 62 7.087 -10.136 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.093 -9.934 9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.938 -11.437 9.095 1.00 0.00 H new ATOM 909 N ILE A 63 6.508 -10.522 6.520 1.00 0.00 N ATOM 910 CA ILE A 63 6.195 -10.739 5.119 1.00 0.00 C ATOM 911 C ILE A 63 4.855 -11.466 4.986 1.00 0.00 C ATOM 912 O ILE A 63 4.067 -11.179 4.097 1.00 0.00 O ATOM 913 CB ILE A 63 7.333 -11.498 4.357 1.00 0.00 C ATOM 914 CG1 ILE A 63 6.960 -11.685 2.886 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.659 -12.842 5.011 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.122 -12.043 2.007 1.00 0.00 C ATOM 0 H ILE A 63 7.342 -11.010 6.847 1.00 0.00 H new ATOM 0 HA ILE A 63 6.114 -9.760 4.646 1.00 0.00 H new ATOM 0 HB ILE A 63 8.233 -10.885 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.204 -12.467 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.507 -10.765 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.453 -13.336 4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.987 -12.677 6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.769 -13.472 5.011 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.778 -12.159 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.870 -11.252 2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.563 -12.979 2.350 1.00 0.00 H new ATOM 928 N ALA A 64 4.552 -12.313 5.962 1.00 0.00 N ATOM 929 CA ALA A 64 3.314 -13.085 5.968 1.00 0.00 C ATOM 930 C ALA A 64 2.119 -12.190 6.287 1.00 0.00 C ATOM 931 O ALA A 64 0.966 -12.577 6.114 1.00 0.00 O ATOM 932 CB ALA A 64 3.407 -14.227 6.962 1.00 0.00 C ATOM 0 H ALA A 64 5.153 -12.484 6.768 1.00 0.00 H new ATOM 0 HA ALA A 64 3.167 -13.504 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.475 -14.793 6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.233 -14.883 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.580 -13.827 7.961 1.00 0.00 H new ATOM 938 N ASP A 65 2.405 -10.989 6.729 1.00 0.00 N ATOM 939 CA ASP A 65 1.369 -10.023 7.027 1.00 0.00 C ATOM 940 C ASP A 65 1.026 -9.316 5.740 1.00 0.00 C ATOM 941 O ASP A 65 -0.138 -9.145 5.406 1.00 0.00 O ATOM 942 CB ASP A 65 1.841 -9.035 8.109 1.00 0.00 C ATOM 943 CG ASP A 65 0.777 -8.037 8.549 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.208 -8.444 9.211 1.00 0.00 O ATOM 945 OD2 ASP A 65 0.939 -6.822 8.314 1.00 0.00 O ATOM 0 H ASP A 65 3.354 -10.653 6.892 1.00 0.00 H new ATOM 0 HA ASP A 65 0.483 -10.517 7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.176 -9.599 8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.705 -8.486 7.733 1.00 0.00 H new ATOM 950 N VAL A 66 2.069 -8.998 4.974 1.00 0.00 N ATOM 951 CA VAL A 66 1.929 -8.366 3.657 1.00 0.00 C ATOM 952 C VAL A 66 1.185 -9.304 2.728 1.00 0.00 C ATOM 953 O VAL A 66 0.174 -8.933 2.113 1.00 0.00 O ATOM 954 CB VAL A 66 3.307 -8.095 2.999 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.156 -7.271 1.732 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.253 -7.435 3.957 1.00 0.00 C ATOM 0 H VAL A 66 3.037 -9.170 5.247 1.00 0.00 H new ATOM 0 HA VAL A 66 1.399 -7.425 3.807 1.00 0.00 H new ATOM 0 HB VAL A 66 3.733 -9.060 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.138 -7.096 1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.530 -7.809 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.691 -6.315 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.208 -7.260 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.834 -6.483 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.405 -8.081 4.822 1.00 0.00 H new ATOM 966 N VAL A 67 1.686 -10.541 2.664 1.00 0.00 N ATOM 967 CA VAL A 67 1.145 -11.570 1.784 1.00 0.00 C ATOM 968 C VAL A 67 -0.311 -11.830 2.088 1.00 0.00 C ATOM 969 O VAL A 67 -1.114 -11.988 1.177 1.00 0.00 O ATOM 970 CB VAL A 67 1.948 -12.904 1.883 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.348 -13.992 0.989 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.391 -12.674 1.502 1.00 0.00 C ATOM 0 H VAL A 67 2.480 -10.853 3.224 1.00 0.00 H new ATOM 0 HA VAL A 67 1.237 -11.193 0.765 1.00 0.00 H new ATOM 0 HB VAL A 67 1.892 -13.245 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.934 -14.906 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.320 -14.187 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.362 -13.659 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.941 -13.612 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.442 -12.302 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.833 -11.941 2.177 1.00 0.00 H new ATOM 982 N ASP A 68 -0.661 -11.806 3.361 1.00 0.00 N ATOM 983 CA ASP A 68 -2.022 -12.088 3.750 1.00 0.00 C ATOM 984 C ASP A 68 -2.966 -11.024 3.232 1.00 0.00 C ATOM 985 O ASP A 68 -3.987 -11.348 2.649 1.00 0.00 O ATOM 986 CB ASP A 68 -2.177 -12.274 5.257 1.00 0.00 C ATOM 987 CG ASP A 68 -3.564 -12.761 5.632 1.00 0.00 C ATOM 988 OD1 ASP A 68 -3.937 -13.886 5.235 1.00 0.00 O ATOM 989 OD2 ASP A 68 -4.300 -12.046 6.329 1.00 0.00 O ATOM 0 H ASP A 68 -0.027 -11.596 4.132 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.289 -13.039 3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.434 -12.988 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.977 -11.329 5.761 1.00 0.00 H new ATOM 994 N LYS A 69 -2.580 -9.753 3.357 1.00 0.00 N ATOM 995 CA LYS A 69 -3.439 -8.648 2.892 1.00 0.00 C ATOM 996 C LYS A 69 -3.524 -8.690 1.378 1.00 0.00 C ATOM 997 O LYS A 69 -4.609 -8.563 0.801 1.00 0.00 O ATOM 998 CB LYS A 69 -2.889 -7.261 3.267 1.00 0.00 C ATOM 999 CG LYS A 69 -2.275 -7.103 4.644 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.148 -7.595 5.776 1.00 0.00 C ATOM 1001 CE LYS A 69 -2.433 -7.351 7.083 1.00 0.00 C ATOM 1002 NZ LYS A 69 -3.116 -7.929 8.250 1.00 0.00 N ATOM 0 H LYS A 69 -1.694 -9.460 3.769 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.408 -8.785 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.136 -6.987 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.702 -6.540 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.328 -7.642 4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.047 -6.050 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.106 -7.075 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.360 -8.657 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.427 -7.767 7.019 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.325 -6.277 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.409 -8.262 8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.716 -7.205 8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.707 -8.729 7.945 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.367 -8.885 0.751 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.245 -8.936 -0.695 1.00 0.00 C ATOM 1018 C ALA A 70 -3.127 -10.031 -1.272 1.00 0.00 C ATOM 1019 O ALA A 70 -3.718 -9.873 -2.332 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.795 -9.156 -1.081 1.00 0.00 C ATOM 0 H ALA A 70 -1.482 -9.013 1.241 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.579 -7.985 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.709 -9.193 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.188 -8.336 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.444 -10.097 -0.657 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.216 -11.111 -0.542 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.042 -12.236 -0.874 1.00 0.00 C ATOM 1028 C LYS A 71 -5.518 -11.917 -0.630 1.00 0.00 C ATOM 1029 O LYS A 71 -6.324 -11.948 -1.560 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.601 -13.430 -0.030 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.544 -14.613 -0.036 1.00 0.00 C ATOM 1032 CD LYS A 71 -3.988 -15.775 0.792 1.00 0.00 C ATOM 1033 CE LYS A 71 -3.680 -15.400 2.255 1.00 0.00 C ATOM 1034 NZ LYS A 71 -4.890 -15.055 3.040 1.00 0.00 N ATOM 0 H LYS A 71 -2.698 -11.233 0.328 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.929 -12.473 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.625 -13.763 -0.384 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.470 -13.097 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.512 -14.310 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.711 -14.942 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.706 -16.595 0.780 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.077 -16.142 0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.169 -16.234 2.736 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.993 -14.554 2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.607 -14.699 3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.431 -14.321 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.482 -15.902 3.156 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.847 -11.587 0.617 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.225 -11.321 1.040 1.00 0.00 C ATOM 1050 C VAL A 72 -7.906 -10.256 0.194 1.00 0.00 C ATOM 1051 O VAL A 72 -8.935 -10.524 -0.429 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.326 -10.910 2.534 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.760 -10.594 2.899 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.815 -12.007 3.433 1.00 0.00 C ATOM 0 H VAL A 72 -5.163 -11.495 1.368 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.743 -12.270 0.898 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.710 -10.022 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.813 -10.308 3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.120 -9.772 2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.381 -11.474 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.897 -11.693 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.407 -12.909 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.771 -12.213 3.198 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.334 -9.058 0.137 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.011 -7.996 -0.597 1.00 0.00 C ATOM 1066 C LEU A 73 -7.682 -8.068 -2.076 1.00 0.00 C ATOM 1067 O LEU A 73 -8.228 -7.303 -2.874 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.657 -6.577 -0.100 1.00 0.00 C ATOM 1069 CG LEU A 73 -7.894 -6.245 1.368 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.218 -6.803 1.868 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -6.723 -6.670 2.222 1.00 0.00 C ATOM 0 H LEU A 73 -6.445 -8.804 0.568 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.074 -8.163 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.602 -6.403 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.225 -5.864 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.970 -5.161 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.348 -6.544 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.035 -6.378 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.220 -7.887 1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.923 -6.420 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.577 -7.746 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.823 -6.151 1.890 1.00 0.00 H new ATOM 1083 N SER A 74 -6.804 -9.007 -2.441 1.00 0.00 N ATOM 1084 CA SER A 74 -6.275 -9.138 -3.796 1.00 0.00 C ATOM 1085 C SER A 74 -5.717 -7.810 -4.320 1.00 0.00 C ATOM 1086 O SER A 74 -6.221 -7.227 -5.298 1.00 0.00 O ATOM 1087 CB SER A 74 -7.266 -9.826 -4.766 1.00 0.00 C ATOM 1088 OG SER A 74 -8.583 -9.252 -4.701 1.00 0.00 O ATOM 0 H SER A 74 -6.438 -9.705 -1.793 1.00 0.00 H new ATOM 0 HA SER A 74 -5.426 -9.819 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.888 -9.746 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.323 -10.889 -4.530 1.00 0.00 H new ATOM 0 HG SER A 74 -8.532 -8.362 -4.293 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.702 -7.327 -3.622 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.063 -6.054 -3.912 1.00 0.00 C ATOM 1096 C LEU A 75 -3.302 -6.126 -5.228 1.00 0.00 C ATOM 1097 O LEU A 75 -3.178 -7.198 -5.833 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.094 -5.677 -2.779 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.685 -5.611 -1.363 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.597 -5.349 -0.343 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.752 -4.537 -1.269 1.00 0.00 C ATOM 0 H LEU A 75 -4.293 -7.816 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.839 -5.292 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.278 -6.399 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.659 -4.705 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.145 -6.576 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.036 -5.306 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.861 -6.152 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.110 -4.400 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.154 -4.511 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.315 -3.568 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.555 -4.759 -1.972 1.00 0.00 H new ATOM 1113 N ALA A 76 -2.777 -5.018 -5.655 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.054 -4.992 -6.906 1.00 0.00 C ATOM 1115 C ALA A 76 -0.703 -4.426 -6.681 1.00 0.00 C ATOM 1116 O ALA A 76 0.215 -4.723 -7.401 1.00 0.00 O ATOM 1117 CB ALA A 76 -2.794 -4.231 -7.975 1.00 0.00 C ATOM 0 H ALA A 76 -2.830 -4.124 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.960 -6.016 -7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.212 -4.239 -8.896 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.761 -4.701 -8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.945 -3.202 -7.650 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.594 -3.561 -5.710 1.00 0.00 N ATOM 1124 CA ALA A 77 0.665 -3.090 -5.266 1.00 0.00 C ATOM 1125 C ALA A 77 0.620 -2.860 -3.785 1.00 0.00 C ATOM 1126 O ALA A 77 -0.461 -2.665 -3.209 1.00 0.00 O ATOM 1127 CB ALA A 77 1.036 -1.831 -5.966 1.00 0.00 C ATOM 0 H ALA A 77 -1.390 -3.167 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 77 1.420 -3.842 -5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.007 -1.488 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.088 -2.013 -7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.285 -1.067 -5.764 1.00 0.00 H new ATOM 1133 N VAL A 78 1.755 -2.919 -3.182 1.00 0.00 N ATOM 1134 CA VAL A 78 1.908 -2.662 -1.776 1.00 0.00 C ATOM 1135 C VAL A 78 3.224 -1.912 -1.573 1.00 0.00 C ATOM 1136 O VAL A 78 4.217 -2.179 -2.265 1.00 0.00 O ATOM 1137 CB VAL A 78 1.907 -3.977 -0.965 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.008 -4.902 -1.467 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.058 -3.703 0.529 1.00 0.00 C ATOM 0 H VAL A 78 2.628 -3.152 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 78 1.070 -2.063 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 78 0.946 -4.471 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.999 -5.826 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.839 -5.131 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.975 -4.412 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.054 -4.647 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.999 -3.183 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.229 -3.083 0.871 1.00 0.00 H new ATOM 1149 N GLN A 79 3.200 -0.910 -0.754 1.00 0.00 N ATOM 1150 CA GLN A 79 4.307 -0.120 -0.496 1.00 0.00 C ATOM 1151 C GLN A 79 4.896 -0.488 0.788 1.00 0.00 C ATOM 1152 O GLN A 79 4.302 -0.268 1.850 1.00 0.00 O ATOM 1153 CB GLN A 79 3.942 1.341 -0.492 1.00 0.00 C ATOM 1154 CG GLN A 79 3.813 1.966 -1.848 1.00 0.00 C ATOM 1155 CD GLN A 79 2.629 1.466 -2.639 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.569 2.044 -2.598 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.790 0.356 -3.325 1.00 0.00 N ATOM 0 H GLN A 79 2.366 -0.629 -0.239 1.00 0.00 H new ATOM 0 HA GLN A 79 5.035 -0.288 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.998 1.463 0.039 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.698 1.887 0.073 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.731 3.047 -1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.724 1.774 -2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.698 -0.108 -3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.006 -0.041 -3.843 1.00 0.00 H new ATOM 1166 N LEU A 80 6.027 -1.065 0.705 1.00 0.00 N ATOM 1167 CA LEU A 80 6.737 -1.430 1.882 1.00 0.00 C ATOM 1168 C LEU A 80 7.672 -0.327 2.231 1.00 0.00 C ATOM 1169 O LEU A 80 8.471 0.116 1.385 1.00 0.00 O ATOM 1170 CB LEU A 80 7.526 -2.757 1.738 1.00 0.00 C ATOM 1171 CG LEU A 80 6.724 -4.072 1.646 1.00 0.00 C ATOM 1172 CD1 LEU A 80 5.722 -4.196 2.782 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.060 -4.244 0.294 1.00 0.00 C ATOM 0 H LEU A 80 6.494 -1.301 -0.171 1.00 0.00 H new ATOM 0 HA LEU A 80 6.003 -1.594 2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.146 -2.681 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.202 -2.837 2.589 1.00 0.00 H new ATOM 0 HG LEU A 80 7.440 -4.887 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.176 -5.134 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.250 -4.181 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.021 -3.362 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.507 -5.183 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.373 -3.416 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.821 -4.257 -0.486 1.00 0.00 H new ATOM 1185 N HIS A 81 7.542 0.185 3.425 1.00 0.00 N ATOM 1186 CA HIS A 81 8.501 1.137 3.905 1.00 0.00 C ATOM 1187 C HIS A 81 9.747 0.366 4.238 1.00 0.00 C ATOM 1188 O HIS A 81 9.881 -0.205 5.323 1.00 0.00 O ATOM 1189 CB HIS A 81 7.996 1.933 5.106 1.00 0.00 C ATOM 1190 CG HIS A 81 6.857 2.859 4.798 1.00 0.00 C ATOM 1191 ND1 HIS A 81 6.975 4.229 4.729 1.00 0.00 N ATOM 1192 CD2 HIS A 81 5.559 2.587 4.548 1.00 0.00 C ATOM 1193 CE1 HIS A 81 5.772 4.731 4.442 1.00 0.00 C ATOM 1194 NE2 HIS A 81 4.878 3.769 4.324 1.00 0.00 N ATOM 0 H HIS A 81 6.789 -0.039 4.076 1.00 0.00 H new ATOM 0 HA HIS A 81 8.695 1.885 3.136 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.682 1.236 5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.822 2.515 5.515 1.00 0.00 H new ATOM 0 HD1 HIS A 81 7.831 4.766 4.872 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.121 1.600 4.526 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.560 5.783 4.323 1.00 0.00 H new ATOM 1202 N GLY A 82 10.628 0.325 3.261 1.00 0.00 N ATOM 1203 CA GLY A 82 11.808 -0.515 3.257 1.00 0.00 C ATOM 1204 C GLY A 82 12.755 -0.379 4.417 1.00 0.00 C ATOM 1205 O GLY A 82 13.609 -1.230 4.581 1.00 0.00 O ATOM 0 H GLY A 82 10.540 0.894 2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.482 -1.554 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.364 -0.311 2.342 1.00 0.00 H new ATOM 1209 N ASN A 83 12.589 0.664 5.220 1.00 0.00 N ATOM 1210 CA ASN A 83 13.449 0.973 6.389 1.00 0.00 C ATOM 1211 C ASN A 83 13.763 -0.253 7.268 1.00 0.00 C ATOM 1212 O ASN A 83 14.761 -0.260 7.993 1.00 0.00 O ATOM 1213 CB ASN A 83 12.828 2.070 7.276 1.00 0.00 C ATOM 1214 CG ASN A 83 12.617 3.394 6.567 1.00 0.00 C ATOM 1215 OD1 ASN A 83 13.523 4.214 6.481 1.00 0.00 O ATOM 1216 ND2 ASN A 83 11.401 3.655 6.147 1.00 0.00 N ATOM 0 H ASN A 83 11.840 1.343 5.086 1.00 0.00 H new ATOM 0 HA ASN A 83 14.386 1.325 5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.869 1.716 7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.472 2.232 8.140 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.188 4.563 5.734 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.669 2.950 6.233 1.00 0.00 H new ATOM 1223 N GLU A 84 12.890 -1.249 7.237 1.00 0.00 N ATOM 1224 CA GLU A 84 13.056 -2.454 8.019 1.00 0.00 C ATOM 1225 C GLU A 84 14.350 -3.222 7.656 1.00 0.00 C ATOM 1226 O GLU A 84 15.146 -3.553 8.535 1.00 0.00 O ATOM 1227 CB GLU A 84 11.833 -3.352 7.828 1.00 0.00 C ATOM 1228 CG GLU A 84 11.781 -4.509 8.797 1.00 0.00 C ATOM 1229 CD GLU A 84 11.801 -4.021 10.219 1.00 0.00 C ATOM 1230 OE1 GLU A 84 10.765 -3.547 10.707 1.00 0.00 O ATOM 1231 OE2 GLU A 84 12.858 -4.086 10.876 1.00 0.00 O ATOM 0 H GLU A 84 12.045 -1.239 6.665 1.00 0.00 H new ATOM 0 HA GLU A 84 13.147 -2.163 9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.930 -2.752 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.832 -3.740 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.878 -5.094 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.629 -5.172 8.624 1.00 0.00 H new ATOM 1238 N GLU A 85 14.587 -3.430 6.373 1.00 0.00 N ATOM 1239 CA GLU A 85 15.728 -4.208 5.904 1.00 0.00 C ATOM 1240 C GLU A 85 15.781 -4.065 4.390 1.00 0.00 C ATOM 1241 O GLU A 85 14.746 -3.928 3.767 1.00 0.00 O ATOM 1242 CB GLU A 85 15.503 -5.677 6.269 1.00 0.00 C ATOM 1243 CG GLU A 85 16.752 -6.426 6.667 1.00 0.00 C ATOM 1244 CD GLU A 85 17.798 -6.455 5.601 1.00 0.00 C ATOM 1245 OE1 GLU A 85 17.718 -7.279 4.702 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.712 -5.617 5.637 1.00 0.00 O ATOM 0 H GLU A 85 13.997 -3.066 5.625 1.00 0.00 H new ATOM 0 HA GLU A 85 16.658 -3.862 6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.788 -5.728 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.048 -6.183 5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 85 17.171 -5.967 7.563 1.00 0.00 H new ATOM 0 HG3 GLU A 85 16.484 -7.449 6.929 1.00 0.00 H new ATOM 1253 N GLN A 86 16.961 -4.133 3.804 1.00 0.00 N ATOM 1254 CA GLN A 86 17.131 -3.930 2.390 1.00 0.00 C ATOM 1255 C GLN A 86 16.714 -5.144 1.591 1.00 0.00 C ATOM 1256 O GLN A 86 16.001 -5.055 0.593 1.00 0.00 O ATOM 1257 CB GLN A 86 18.579 -3.611 2.104 1.00 0.00 C ATOM 1258 CG GLN A 86 19.026 -2.211 2.509 1.00 0.00 C ATOM 1259 CD GLN A 86 20.504 -1.984 2.267 1.00 0.00 C ATOM 1260 OE1 GLN A 86 20.939 -0.876 1.956 1.00 0.00 O ATOM 1261 NE2 GLN A 86 21.291 -3.003 2.470 1.00 0.00 N ATOM 0 H GLN A 86 17.828 -4.332 4.303 1.00 0.00 H new ATOM 0 HA GLN A 86 16.491 -3.100 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.204 -4.339 2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.759 -3.738 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.451 -1.473 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.805 -2.053 3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 86 20.897 -3.908 2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.301 -2.895 2.372 1.00 0.00 H new ATOM 1270 N LEU A 87 17.103 -6.269 2.081 1.00 0.00 N ATOM 1271 CA LEU A 87 16.934 -7.517 1.397 1.00 0.00 C ATOM 1272 C LEU A 87 15.552 -8.058 1.657 1.00 0.00 C ATOM 1273 O LEU A 87 15.092 -8.997 1.011 1.00 0.00 O ATOM 1274 CB LEU A 87 18.024 -8.460 1.836 1.00 0.00 C ATOM 1275 CG LEU A 87 19.416 -7.863 1.664 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.467 -8.680 2.371 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.764 -7.685 0.196 1.00 0.00 C ATOM 0 H LEU A 87 17.559 -6.356 2.989 1.00 0.00 H new ATOM 0 HA LEU A 87 17.021 -7.386 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.872 -8.724 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.955 -9.383 1.261 1.00 0.00 H new ATOM 0 HG LEU A 87 19.400 -6.877 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.445 -8.221 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.241 -8.719 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.476 -9.691 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.763 -7.257 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.739 -8.653 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.041 -7.016 -0.271 1.00 0.00 H new ATOM 1289 N TYR A 88 14.898 -7.460 2.632 1.00 0.00 N ATOM 1290 CA TYR A 88 13.522 -7.753 2.942 1.00 0.00 C ATOM 1291 C TYR A 88 12.639 -7.478 1.735 1.00 0.00 C ATOM 1292 O TYR A 88 11.782 -8.267 1.408 1.00 0.00 O ATOM 1293 CB TYR A 88 13.057 -6.954 4.167 1.00 0.00 C ATOM 1294 CG TYR A 88 11.583 -7.047 4.457 1.00 0.00 C ATOM 1295 CD1 TYR A 88 10.968 -8.273 4.557 1.00 0.00 C ATOM 1296 CD2 TYR A 88 10.809 -5.906 4.618 1.00 0.00 C ATOM 1297 CE1 TYR A 88 9.632 -8.382 4.806 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.446 -6.006 4.871 1.00 0.00 C ATOM 1299 CZ TYR A 88 8.870 -7.259 4.960 1.00 0.00 C ATOM 1300 OH TYR A 88 7.528 -7.388 5.192 1.00 0.00 O ATOM 0 H TYR A 88 15.315 -6.751 3.235 1.00 0.00 H new ATOM 0 HA TYR A 88 13.438 -8.811 3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 88 13.608 -7.302 5.041 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.319 -5.906 4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.557 -9.170 4.435 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.270 -4.932 4.546 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.176 -9.358 4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.846 -5.117 4.996 1.00 0.00 H new ATOM 0 HH TYR A 88 7.250 -6.740 5.873 1.00 0.00 H new ATOM 1310 N ILE A 89 12.905 -6.402 1.045 1.00 0.00 N ATOM 1311 CA ILE A 89 12.137 -6.034 -0.144 1.00 0.00 C ATOM 1312 C ILE A 89 12.324 -7.101 -1.211 1.00 0.00 C ATOM 1313 O ILE A 89 11.368 -7.538 -1.876 1.00 0.00 O ATOM 1314 CB ILE A 89 12.554 -4.637 -0.699 1.00 0.00 C ATOM 1315 CG1 ILE A 89 12.074 -3.486 0.196 1.00 0.00 C ATOM 1316 CG2 ILE A 89 12.020 -4.429 -2.101 1.00 0.00 C ATOM 1317 CD1 ILE A 89 12.739 -3.404 1.532 1.00 0.00 C ATOM 0 H ILE A 89 13.654 -5.750 1.278 1.00 0.00 H new ATOM 0 HA ILE A 89 11.086 -5.968 0.137 1.00 0.00 H new ATOM 0 HB ILE A 89 13.644 -4.627 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.234 -2.545 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.999 -3.588 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.325 -3.448 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.419 -5.200 -2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.932 -4.489 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.333 -2.560 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.558 -4.325 2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.812 -3.267 1.397 1.00 0.00 H new ATOM 1329 N ASP A 90 13.542 -7.571 -1.291 1.00 0.00 N ATOM 1330 CA ASP A 90 13.935 -8.635 -2.227 1.00 0.00 C ATOM 1331 C ASP A 90 13.258 -9.963 -1.824 1.00 0.00 C ATOM 1332 O ASP A 90 13.127 -10.887 -2.608 1.00 0.00 O ATOM 1333 CB ASP A 90 15.453 -8.781 -2.189 1.00 0.00 C ATOM 1334 CG ASP A 90 16.021 -9.700 -3.279 1.00 0.00 C ATOM 1335 OD1 ASP A 90 16.308 -9.226 -4.397 1.00 0.00 O ATOM 1336 OD2 ASP A 90 16.244 -10.898 -3.011 1.00 0.00 O ATOM 0 H ASP A 90 14.309 -7.234 -0.709 1.00 0.00 H new ATOM 0 HA ASP A 90 13.618 -8.380 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.905 -7.794 -2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.746 -9.168 -1.213 1.00 0.00 H new ATOM 1341 N THR A 91 12.781 -9.997 -0.608 1.00 0.00 N ATOM 1342 CA THR A 91 12.125 -11.141 -0.040 1.00 0.00 C ATOM 1343 C THR A 91 10.623 -11.149 -0.410 1.00 0.00 C ATOM 1344 O THR A 91 10.061 -12.193 -0.717 1.00 0.00 O ATOM 1345 CB THR A 91 12.301 -11.120 1.487 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.698 -11.181 1.844 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.554 -12.235 2.111 1.00 0.00 C ATOM 0 H THR A 91 12.841 -9.205 0.032 1.00 0.00 H new ATOM 0 HA THR A 91 12.575 -12.048 -0.444 1.00 0.00 H new ATOM 0 HB THR A 91 11.896 -10.181 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.175 -10.434 1.427 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.690 -12.204 3.192 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.494 -12.139 1.876 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.927 -13.184 1.725 1.00 0.00 H new ATOM 1355 N LEU A 92 9.990 -9.968 -0.391 1.00 0.00 N ATOM 1356 CA LEU A 92 8.585 -9.807 -0.769 1.00 0.00 C ATOM 1357 C LEU A 92 8.331 -10.392 -2.123 1.00 0.00 C ATOM 1358 O LEU A 92 7.315 -11.021 -2.345 1.00 0.00 O ATOM 1359 CB LEU A 92 8.145 -8.335 -0.769 1.00 0.00 C ATOM 1360 CG LEU A 92 7.734 -7.698 0.554 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.699 -8.525 1.215 1.00 0.00 C ATOM 1362 CD2 LEU A 92 8.888 -7.542 1.458 1.00 0.00 C ATOM 0 H LEU A 92 10.442 -9.097 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 92 8.000 -10.338 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.963 -7.745 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.305 -8.240 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 92 7.332 -6.708 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.412 -8.062 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.826 -8.601 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.097 -9.522 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.560 -7.085 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.322 -8.520 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.636 -6.905 0.986 1.00 0.00 H new ATOM 1374 N ARG A 93 9.295 -10.180 -3.008 1.00 0.00 N ATOM 1375 CA ARG A 93 9.307 -10.722 -4.383 1.00 0.00 C ATOM 1376 C ARG A 93 8.878 -12.163 -4.418 1.00 0.00 C ATOM 1377 O ARG A 93 8.086 -12.588 -5.254 1.00 0.00 O ATOM 1378 CB ARG A 93 10.741 -10.707 -4.948 1.00 0.00 C ATOM 1379 CG ARG A 93 11.442 -9.385 -4.878 1.00 0.00 C ATOM 1380 CD ARG A 93 10.503 -8.298 -5.229 1.00 0.00 C ATOM 1381 NE ARG A 93 9.791 -8.589 -6.518 1.00 0.00 N ATOM 1382 CZ ARG A 93 9.254 -7.726 -7.389 1.00 0.00 C ATOM 1383 NH1 ARG A 93 9.510 -6.434 -7.329 1.00 0.00 N ATOM 1384 NH2 ARG A 93 8.508 -8.195 -8.378 1.00 0.00 N ATOM 0 H ARG A 93 10.116 -9.614 -2.796 1.00 0.00 H new ATOM 0 HA ARG A 93 8.625 -10.099 -4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.335 -11.444 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.707 -11.027 -5.989 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.837 -9.226 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.292 -9.378 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.774 -8.171 -4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.047 -7.358 -5.316 1.00 0.00 H new ATOM 0 HE ARG A 93 9.705 -9.575 -6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.131 -6.070 -6.606 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.087 -5.798 -8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.351 -9.199 -8.466 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.091 -7.552 -9.051 1.00 0.00 H new ATOM 1398 N GLU A 94 9.409 -12.867 -3.481 1.00 0.00 N ATOM 1399 CA GLU A 94 9.263 -14.310 -3.380 1.00 0.00 C ATOM 1400 C GLU A 94 7.853 -14.723 -2.975 1.00 0.00 C ATOM 1401 O GLU A 94 7.252 -15.629 -3.579 1.00 0.00 O ATOM 1402 CB GLU A 94 10.253 -14.856 -2.359 1.00 0.00 C ATOM 1403 CG GLU A 94 11.682 -14.437 -2.605 1.00 0.00 C ATOM 1404 CD GLU A 94 12.642 -15.078 -1.634 1.00 0.00 C ATOM 1405 OE1 GLU A 94 12.740 -16.319 -1.626 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.304 -14.366 -0.851 1.00 0.00 O ATOM 0 H GLU A 94 9.975 -12.462 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 94 9.462 -14.724 -4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.954 -14.524 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.199 -15.945 -2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.966 -14.704 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.759 -13.353 -2.526 1.00 0.00 H new ATOM 1413 N ALA A 95 7.323 -14.063 -1.974 1.00 0.00 N ATOM 1414 CA ALA A 95 6.042 -14.474 -1.402 1.00 0.00 C ATOM 1415 C ALA A 95 4.832 -13.747 -1.964 1.00 0.00 C ATOM 1416 O ALA A 95 3.689 -14.148 -1.732 1.00 0.00 O ATOM 1417 CB ALA A 95 6.073 -14.423 0.106 1.00 0.00 C ATOM 0 H ALA A 95 7.746 -13.245 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 95 5.911 -15.510 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.106 -14.734 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.849 -15.093 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.287 -13.405 0.431 1.00 0.00 H new ATOM 1423 N LEU A 96 5.067 -12.706 -2.685 1.00 0.00 N ATOM 1424 CA LEU A 96 3.981 -11.956 -3.299 1.00 0.00 C ATOM 1425 C LEU A 96 3.656 -12.533 -4.643 1.00 0.00 C ATOM 1426 O LEU A 96 4.563 -12.787 -5.451 1.00 0.00 O ATOM 1427 CB LEU A 96 4.291 -10.455 -3.403 1.00 0.00 C ATOM 1428 CG LEU A 96 4.418 -9.705 -2.071 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.696 -8.239 -2.317 1.00 0.00 C ATOM 1430 CD2 LEU A 96 3.160 -9.869 -1.230 1.00 0.00 C ATOM 0 H LEU A 96 5.999 -12.339 -2.876 1.00 0.00 H new ATOM 0 HA LEU A 96 3.109 -12.048 -2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.222 -10.333 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.505 -9.981 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 96 5.254 -10.135 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.783 -7.720 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.627 -8.134 -2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.878 -7.805 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.277 -9.327 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.304 -9.471 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.997 -10.926 -1.021 1.00 0.00 H new ATOM 1442 N PRO A 97 2.367 -12.802 -4.898 1.00 0.00 N ATOM 1443 CA PRO A 97 1.931 -13.364 -6.157 1.00 0.00 C ATOM 1444 C PRO A 97 2.152 -12.391 -7.308 1.00 0.00 C ATOM 1445 O PRO A 97 2.316 -11.188 -7.099 1.00 0.00 O ATOM 1446 CB PRO A 97 0.441 -13.644 -5.948 1.00 0.00 C ATOM 1447 CG PRO A 97 0.034 -12.736 -4.857 1.00 0.00 C ATOM 1448 CD PRO A 97 1.236 -12.574 -3.975 1.00 0.00 C ATOM 0 HA PRO A 97 2.490 -14.261 -6.424 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.129 -13.450 -6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.269 -14.686 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.291 -11.774 -5.253 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.805 -13.151 -4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.276 -11.581 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.234 -13.293 -3.156 1.00 0.00 H new ATOM 1456 N ALA A 98 2.095 -12.914 -8.501 1.00 0.00 N ATOM 1457 CA ALA A 98 2.402 -12.187 -9.737 1.00 0.00 C ATOM 1458 C ALA A 98 1.535 -10.949 -9.941 1.00 0.00 C ATOM 1459 O ALA A 98 1.940 -9.993 -10.601 1.00 0.00 O ATOM 1460 CB ALA A 98 2.241 -13.120 -10.905 1.00 0.00 C ATOM 0 H ALA A 98 1.828 -13.885 -8.663 1.00 0.00 H new ATOM 0 HA ALA A 98 3.430 -11.833 -9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.467 -12.588 -11.829 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.924 -13.962 -10.795 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.215 -13.487 -10.939 1.00 0.00 H new ATOM 1466 N HIS A 99 0.355 -10.966 -9.390 1.00 0.00 N ATOM 1467 CA HIS A 99 -0.540 -9.844 -9.527 1.00 0.00 C ATOM 1468 C HIS A 99 -0.308 -8.747 -8.488 1.00 0.00 C ATOM 1469 O HIS A 99 -0.882 -7.662 -8.599 1.00 0.00 O ATOM 1470 CB HIS A 99 -2.025 -10.273 -9.633 1.00 0.00 C ATOM 1471 CG HIS A 99 -2.456 -11.354 -8.703 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -2.923 -12.588 -9.106 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -2.502 -11.354 -7.390 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -3.234 -13.282 -8.021 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -2.994 -12.572 -6.930 1.00 0.00 N ATOM 0 H HIS A 99 -0.013 -11.743 -8.841 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.288 -9.387 -10.484 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.650 -9.397 -9.457 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.217 -10.601 -10.655 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.202 -10.530 -6.760 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -3.629 -14.287 -8.026 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.138 -12.856 -5.961 1.00 0.00 H new ATOM 1483 N VAL A 100 0.544 -8.999 -7.503 1.00 0.00 N ATOM 1484 CA VAL A 100 0.857 -8.030 -6.531 1.00 0.00 C ATOM 1485 C VAL A 100 2.237 -7.469 -6.838 1.00 0.00 C ATOM 1486 O VAL A 100 3.169 -8.211 -7.150 1.00 0.00 O ATOM 1487 CB VAL A 100 0.838 -8.656 -5.134 1.00 0.00 C ATOM 1488 CG1 VAL A 100 1.241 -7.651 -4.110 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.535 -9.210 -4.822 1.00 0.00 C ATOM 0 H VAL A 100 1.024 -9.891 -7.379 1.00 0.00 H new ATOM 0 HA VAL A 100 0.118 -7.229 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 100 1.554 -9.478 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.223 -8.111 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.248 -7.295 -4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.547 -6.811 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.531 -9.651 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.269 -8.405 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.795 -9.973 -5.556 1.00 0.00 H new ATOM 1499 N ALA A 101 2.340 -6.185 -6.800 1.00 0.00 N ATOM 1500 CA ALA A 101 3.568 -5.501 -7.067 1.00 0.00 C ATOM 1501 C ALA A 101 4.021 -4.779 -5.816 1.00 0.00 C ATOM 1502 O ALA A 101 3.265 -4.656 -4.854 1.00 0.00 O ATOM 1503 CB ALA A 101 3.378 -4.528 -8.216 1.00 0.00 C ATOM 0 H ALA A 101 1.561 -5.565 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 101 4.336 -6.219 -7.354 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.317 -4.011 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.069 -5.074 -9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.611 -3.800 -7.953 1.00 0.00 H new ATOM 1509 N ILE A 102 5.218 -4.284 -5.830 1.00 0.00 N ATOM 1510 CA ILE A 102 5.789 -3.635 -4.679 1.00 0.00 C ATOM 1511 C ILE A 102 6.199 -2.249 -5.055 1.00 0.00 C ATOM 1512 O ILE A 102 6.892 -2.075 -6.036 1.00 0.00 O ATOM 1513 CB ILE A 102 7.072 -4.340 -4.222 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.828 -5.803 -3.838 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.692 -3.539 -3.087 1.00 0.00 C ATOM 1516 CD1 ILE A 102 8.108 -6.589 -3.628 1.00 0.00 C ATOM 0 H ILE A 102 5.835 -4.316 -6.642 1.00 0.00 H new ATOM 0 HA ILE A 102 5.039 -3.653 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 102 7.774 -4.377 -5.055 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.234 -5.838 -2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.239 -6.283 -4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.606 -4.030 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.927 -2.534 -3.437 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.988 -3.479 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.864 -7.617 -3.358 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.693 -6.584 -4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.688 -6.132 -2.827 1.00 0.00 H new ATOM 1528 N TRP A 103 5.818 -1.271 -4.304 1.00 0.00 N ATOM 1529 CA TRP A 103 6.305 0.057 -4.606 1.00 0.00 C ATOM 1530 C TRP A 103 7.048 0.598 -3.419 1.00 0.00 C ATOM 1531 O TRP A 103 6.867 0.120 -2.290 1.00 0.00 O ATOM 1532 CB TRP A 103 5.204 1.030 -5.002 1.00 0.00 C ATOM 1533 CG TRP A 103 4.327 0.617 -6.148 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.559 -0.332 -7.078 1.00 0.00 C ATOM 1535 CD2 TRP A 103 3.070 1.178 -6.465 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.517 -0.412 -7.943 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.582 0.517 -7.587 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.317 2.171 -5.889 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 1.354 0.826 -8.148 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 1.101 2.495 -6.438 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.626 1.818 -7.559 1.00 0.00 C ATOM 0 H TRP A 103 5.193 -1.346 -3.501 1.00 0.00 H new ATOM 0 HA TRP A 103 6.965 -0.038 -5.469 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.570 1.201 -4.132 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.666 1.985 -5.253 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.449 -0.942 -7.127 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.444 -1.059 -8.729 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.677 2.691 -5.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.987 0.302 -9.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.507 3.282 -5.997 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.337 2.084 -7.970 1.00 0.00 H new ATOM 1552 N LYS A 104 7.867 1.570 -3.659 1.00 0.00 N ATOM 1553 CA LYS A 104 8.628 2.193 -2.625 1.00 0.00 C ATOM 1554 C LYS A 104 7.968 3.523 -2.328 1.00 0.00 C ATOM 1555 O LYS A 104 7.883 4.391 -3.210 1.00 0.00 O ATOM 1556 CB LYS A 104 10.096 2.373 -3.104 1.00 0.00 C ATOM 1557 CG LYS A 104 11.159 2.780 -2.045 1.00 0.00 C ATOM 1558 CD LYS A 104 10.958 4.185 -1.476 1.00 0.00 C ATOM 1559 CE LYS A 104 12.124 4.614 -0.596 1.00 0.00 C ATOM 1560 NZ LYS A 104 13.370 4.858 -1.375 1.00 0.00 N ATOM 0 H LYS A 104 8.028 1.958 -4.588 1.00 0.00 H new ATOM 0 HA LYS A 104 8.655 1.589 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.417 1.436 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.101 3.127 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.137 2.060 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.149 2.719 -2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.841 4.895 -2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.036 4.213 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.853 5.522 -0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.312 3.844 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.150 4.305 -0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.223 4.570 -2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.608 5.870 -1.341 1.00 0.00 H new ATOM 1574 N ALA A 105 7.457 3.651 -1.128 1.00 0.00 N ATOM 1575 CA ALA A 105 6.848 4.885 -0.677 1.00 0.00 C ATOM 1576 C ALA A 105 7.929 5.932 -0.475 1.00 0.00 C ATOM 1577 O ALA A 105 8.718 5.866 0.474 1.00 0.00 O ATOM 1578 CB ALA A 105 6.067 4.659 0.610 1.00 0.00 C ATOM 0 H ALA A 105 7.450 2.904 -0.434 1.00 0.00 H new ATOM 0 HA ALA A 105 6.146 5.237 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.617 5.598 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.283 3.922 0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.741 4.295 1.385 1.00 0.00 H new ATOM 1584 N LEU A 106 8.014 6.837 -1.399 1.00 0.00 N ATOM 1585 CA LEU A 106 8.991 7.869 -1.369 1.00 0.00 C ATOM 1586 C LEU A 106 8.510 9.012 -0.514 1.00 0.00 C ATOM 1587 O LEU A 106 7.581 9.740 -0.893 1.00 0.00 O ATOM 1588 CB LEU A 106 9.291 8.351 -2.795 1.00 0.00 C ATOM 1589 CG LEU A 106 10.316 9.489 -2.946 1.00 0.00 C ATOM 1590 CD1 LEU A 106 11.684 9.069 -2.437 1.00 0.00 C ATOM 1591 CD2 LEU A 106 10.404 9.941 -4.397 1.00 0.00 C ATOM 0 H LEU A 106 7.394 6.876 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 106 9.911 7.476 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.644 7.498 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.354 8.677 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 106 9.975 10.328 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.386 9.894 -2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.614 8.803 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.035 8.208 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.134 10.746 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.713 9.103 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.428 10.299 -4.727 1.00 0.00 H new ATOM 1748 N PHE A 117 16.404 0.648 -1.614 1.00 0.00 N ATOM 1749 CA PHE A 117 15.621 -0.526 -1.717 1.00 0.00 C ATOM 1750 C PHE A 117 15.174 -0.612 -3.133 1.00 0.00 C ATOM 1751 O PHE A 117 14.317 0.157 -3.569 1.00 0.00 O ATOM 1752 CB PHE A 117 14.412 -0.429 -0.776 1.00 0.00 C ATOM 1753 CG PHE A 117 14.823 -0.073 0.610 1.00 0.00 C ATOM 1754 CD1 PHE A 117 15.463 -0.996 1.387 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.630 1.208 1.103 1.00 0.00 C ATOM 1756 CE1 PHE A 117 15.907 -0.662 2.654 1.00 0.00 C ATOM 1757 CE2 PHE A 117 15.079 1.555 2.358 1.00 0.00 C ATOM 1758 CZ PHE A 117 15.718 0.619 3.136 1.00 0.00 C ATOM 0 HA PHE A 117 16.189 -1.413 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.716 0.320 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 117 13.881 -1.381 -0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 117 15.624 -1.995 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 117 14.122 1.943 0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 117 16.401 -1.402 3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.930 2.558 2.729 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.071 0.884 4.121 1.00 0.00 H new ATOM 1768 N GLN A 118 15.833 -1.439 -3.866 1.00 0.00 N ATOM 1769 CA GLN A 118 15.505 -1.659 -5.234 1.00 0.00 C ATOM 1770 C GLN A 118 14.690 -2.934 -5.315 1.00 0.00 C ATOM 1771 O GLN A 118 14.270 -3.447 -4.278 1.00 0.00 O ATOM 1772 CB GLN A 118 16.783 -1.732 -6.090 1.00 0.00 C ATOM 1773 CG GLN A 118 17.743 -2.844 -5.701 1.00 0.00 C ATOM 1774 CD GLN A 118 18.987 -2.868 -6.560 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.457 -1.832 -7.031 1.00 0.00 O ATOM 1776 NE2 GLN A 118 19.515 -4.037 -6.795 1.00 0.00 N ATOM 0 H GLN A 118 16.624 -1.989 -3.531 1.00 0.00 H new ATOM 0 HA GLN A 118 14.916 -0.832 -5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 118 16.498 -1.865 -7.134 1.00 0.00 H new ATOM 0 HB3 GLN A 118 17.306 -0.778 -6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 118 18.030 -2.722 -4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 118 17.233 -3.804 -5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 118 19.100 -4.875 -6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 118 20.343 -4.113 -7.385 1.00 0.00 H new ATOM 1785 N HIS A 119 14.474 -3.434 -6.523 1.00 0.00 N ATOM 1786 CA HIS A 119 13.664 -4.632 -6.773 1.00 0.00 C ATOM 1787 C HIS A 119 12.203 -4.293 -6.503 1.00 0.00 C ATOM 1788 O HIS A 119 11.413 -5.129 -6.046 1.00 0.00 O ATOM 1789 CB HIS A 119 14.127 -5.872 -5.939 1.00 0.00 C ATOM 1790 CG HIS A 119 15.566 -6.270 -6.150 1.00 0.00 C ATOM 1791 ND1 HIS A 119 16.025 -6.949 -7.253 1.00 0.00 N ATOM 1792 CD2 HIS A 119 16.656 -6.050 -5.372 1.00 0.00 C ATOM 1793 CE1 HIS A 119 17.338 -7.118 -7.124 1.00 0.00 C ATOM 1794 NE2 HIS A 119 17.782 -6.585 -5.994 1.00 0.00 N ATOM 0 H HIS A 119 14.858 -3.019 -7.372 1.00 0.00 H new ATOM 0 HA HIS A 119 13.795 -4.923 -7.815 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.974 -5.659 -4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 119 13.489 -6.720 -6.189 1.00 0.00 H new ATOM 0 HD1 HIS A 119 15.456 -7.269 -8.037 1.00 0.00 H new ATOM 0 HD2 HIS A 119 16.651 -5.540 -4.420 1.00 0.00 H new ATOM 0 HE1 HIS A 119 17.962 -7.624 -7.846 1.00 0.00 H new ATOM 1802 N VAL A 120 11.848 -3.060 -6.812 1.00 0.00 N ATOM 1803 CA VAL A 120 10.499 -2.576 -6.662 1.00 0.00 C ATOM 1804 C VAL A 120 9.860 -2.422 -8.025 1.00 0.00 C ATOM 1805 O VAL A 120 10.546 -2.442 -9.051 1.00 0.00 O ATOM 1806 CB VAL A 120 10.421 -1.233 -5.870 1.00 0.00 C ATOM 1807 CG1 VAL A 120 10.931 -1.422 -4.449 1.00 0.00 C ATOM 1808 CG2 VAL A 120 11.197 -0.122 -6.572 1.00 0.00 C ATOM 0 H VAL A 120 12.498 -2.364 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 120 9.952 -3.314 -6.075 1.00 0.00 H new ATOM 0 HB VAL A 120 9.374 -0.932 -5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 120 10.869 -0.476 -3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.322 -2.169 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.968 -1.757 -4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.120 0.798 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 120 12.245 -0.409 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.781 0.040 -7.566 1.00 0.00 H new ATOM 1818 N ASP A 121 8.574 -2.301 -8.039 1.00 0.00 N ATOM 1819 CA ASP A 121 7.819 -2.164 -9.286 1.00 0.00 C ATOM 1820 C ASP A 121 7.684 -0.723 -9.693 1.00 0.00 C ATOM 1821 O ASP A 121 7.790 -0.386 -10.877 1.00 0.00 O ATOM 1822 CB ASP A 121 6.427 -2.809 -9.152 1.00 0.00 C ATOM 1823 CG ASP A 121 5.484 -2.509 -10.319 1.00 0.00 C ATOM 1824 OD1 ASP A 121 5.768 -2.938 -11.454 1.00 0.00 O ATOM 1825 OD2 ASP A 121 4.439 -1.854 -10.106 1.00 0.00 O ATOM 0 H ASP A 121 7.997 -2.292 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 121 8.376 -2.684 -10.065 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.546 -3.889 -9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.965 -2.462 -8.228 1.00 0.00 H new ATOM 1830 N LYS A 122 7.498 0.135 -8.724 1.00 0.00 N ATOM 1831 CA LYS A 122 7.232 1.519 -9.022 1.00 0.00 C ATOM 1832 C LYS A 122 7.512 2.374 -7.802 1.00 0.00 C ATOM 1833 O LYS A 122 7.668 1.862 -6.685 1.00 0.00 O ATOM 1834 CB LYS A 122 5.757 1.637 -9.447 1.00 0.00 C ATOM 1835 CG LYS A 122 5.308 2.946 -10.075 1.00 0.00 C ATOM 1836 CD LYS A 122 3.830 2.875 -10.457 1.00 0.00 C ATOM 1837 CE LYS A 122 3.580 1.758 -11.466 1.00 0.00 C ATOM 1838 NZ LYS A 122 2.165 1.654 -11.869 1.00 0.00 N ATOM 0 H LYS A 122 7.525 -0.096 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 122 7.877 1.870 -9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.546 0.835 -10.155 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.139 1.457 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.470 3.766 -9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.909 3.157 -10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 122 3.228 2.705 -9.565 1.00 0.00 H new ATOM 0 HD3 LYS A 122 3.513 3.829 -10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 122 4.193 1.931 -12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.901 0.809 -11.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.055 0.880 -12.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.579 1.461 -11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.862 2.548 -12.305 1.00 0.00 H new ATOM 1852 N TYR A 123 7.649 3.631 -8.032 1.00 0.00 N ATOM 1853 CA TYR A 123 7.794 4.609 -7.002 1.00 0.00 C ATOM 1854 C TYR A 123 6.530 5.417 -6.885 1.00 0.00 C ATOM 1855 O TYR A 123 5.867 5.699 -7.886 1.00 0.00 O ATOM 1856 CB TYR A 123 8.987 5.521 -7.266 1.00 0.00 C ATOM 1857 CG TYR A 123 10.194 5.152 -6.462 1.00 0.00 C ATOM 1858 CD1 TYR A 123 10.926 4.010 -6.734 1.00 0.00 C ATOM 1859 CD2 TYR A 123 10.584 5.944 -5.404 1.00 0.00 C ATOM 1860 CE1 TYR A 123 12.015 3.668 -5.962 1.00 0.00 C ATOM 1861 CE2 TYR A 123 11.669 5.622 -4.633 1.00 0.00 C ATOM 1862 CZ TYR A 123 12.381 4.486 -4.907 1.00 0.00 C ATOM 1863 OH TYR A 123 13.454 4.150 -4.098 1.00 0.00 O ATOM 0 H TYR A 123 7.664 4.025 -8.973 1.00 0.00 H new ATOM 0 HA TYR A 123 7.977 4.090 -6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.238 5.484 -8.326 1.00 0.00 H new ATOM 0 HB3 TYR A 123 8.708 6.550 -7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 123 10.640 3.378 -7.562 1.00 0.00 H new ATOM 0 HD2 TYR A 123 10.022 6.838 -5.178 1.00 0.00 H new ATOM 0 HE1 TYR A 123 12.577 2.771 -6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 123 11.961 6.261 -3.813 1.00 0.00 H new ATOM 0 HH TYR A 123 14.110 3.641 -4.619 1.00 0.00 H new ATOM 1873 N VAL A 124 6.188 5.757 -5.679 1.00 0.00 N ATOM 1874 CA VAL A 124 5.028 6.554 -5.391 1.00 0.00 C ATOM 1875 C VAL A 124 5.375 7.386 -4.186 1.00 0.00 C ATOM 1876 O VAL A 124 6.348 7.086 -3.496 1.00 0.00 O ATOM 1877 CB VAL A 124 3.773 5.663 -5.120 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.948 4.789 -3.893 1.00 0.00 C ATOM 1879 CG2 VAL A 124 2.467 6.464 -5.056 1.00 0.00 C ATOM 0 H VAL A 124 6.716 5.484 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 124 4.769 7.184 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 124 3.688 5.004 -5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.051 4.188 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.806 4.132 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.112 5.418 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.634 5.787 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.529 7.198 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.308 6.977 -6.005 1.00 0.00 H new ATOM 1889 N LEU A 125 4.628 8.395 -3.935 1.00 0.00 N ATOM 1890 CA LEU A 125 4.923 9.278 -2.833 1.00 0.00 C ATOM 1891 C LEU A 125 4.293 8.783 -1.551 1.00 0.00 C ATOM 1892 O LEU A 125 3.270 8.096 -1.567 1.00 0.00 O ATOM 1893 CB LEU A 125 4.479 10.716 -3.125 1.00 0.00 C ATOM 1894 CG LEU A 125 5.159 11.418 -4.307 1.00 0.00 C ATOM 1895 CD1 LEU A 125 4.619 12.827 -4.462 1.00 0.00 C ATOM 1896 CD2 LEU A 125 6.672 11.451 -4.127 1.00 0.00 C ATOM 0 H LEU A 125 3.798 8.645 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 125 6.006 9.280 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.404 10.711 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.650 11.314 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 125 4.937 10.851 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 125 5.110 13.314 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.545 12.787 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 125 4.814 13.394 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 125 7.129 11.954 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.918 11.991 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 125 7.053 10.432 -4.061 1.00 0.00 H new