USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 Single : A 1 SER N :NH3+ 166:sc=-0.00921 (180deg=-0.2) USER MOD Single : A 1 SER OG : rot -61:sc= 1.14 USER MOD Single : A 4 TYR OH : rot 85:sc= 0.335 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -1.2 (180deg=-1.72) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -3.74 F(o=-4.4!,f=-3.7) USER MOD Single : A 22 ASN : amide:sc= -2.31! C(o=-2.3!,f=-3.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -163:sc= -0.0535 (180deg=-0.579) USER MOD Single : A 37 SER OG : rot -46:sc= 0.31 USER MOD Single : A 38 LYS NZ :NH3+ 154:sc= -0.228 (180deg=-1.25!) USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= -1.14 (180deg=-1.29) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0098 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.434 K(o=-0.43,f=-1.2) USER MOD Single : A 53 THR OG1 : rot 91:sc= 0.415 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 108:sc= 0.93 USER MOD Single : A 67 SER OG : rot 180:sc= -0.485 USER MOD Single : A 73 SER OG : rot 82:sc= 0.0857 USER MOD Single : A 74 MET CE :methyl -158:sc= -0.21 (180deg=-1.26!) USER MOD Single : A 76 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.012) USER MOD Single : A 79 SER OG : rot 46:sc= 0.975 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.277 17.009 -1.446 1.00 0.00 N ATOM 2 CA SER A 1 5.250 16.776 -0.392 1.00 0.00 C ATOM 3 C SER A 1 4.140 15.884 -0.952 1.00 0.00 C ATOM 4 O SER A 1 2.976 16.048 -0.644 1.00 0.00 O ATOM 5 CB SER A 1 4.654 18.116 0.044 1.00 0.00 C ATOM 6 OG SER A 1 3.583 17.881 0.948 1.00 0.00 O ATOM 0 H1 SER A 1 6.899 17.791 -1.158 1.00 0.00 H new ATOM 0 H2 SER A 1 6.843 16.146 -1.576 1.00 0.00 H new ATOM 0 H3 SER A 1 5.807 17.252 -2.341 1.00 0.00 H new ATOM 0 HA SER A 1 5.713 16.287 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.419 18.730 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.297 18.668 -0.825 1.00 0.00 H new ATOM 0 HG SER A 1 2.884 17.362 0.499 1.00 0.00 H new ATOM 14 N ASP A 2 4.501 14.948 -1.788 1.00 0.00 N ATOM 15 CA ASP A 2 3.486 14.043 -2.397 1.00 0.00 C ATOM 16 C ASP A 2 2.912 13.098 -1.335 1.00 0.00 C ATOM 17 O ASP A 2 3.588 12.231 -0.817 1.00 0.00 O ATOM 18 CB ASP A 2 4.148 13.234 -3.518 1.00 0.00 C ATOM 19 CG ASP A 2 3.198 12.135 -4.004 1.00 0.00 C ATOM 20 OD1 ASP A 2 3.237 11.055 -3.439 1.00 0.00 O ATOM 21 OD2 ASP A 2 2.450 12.393 -4.931 1.00 0.00 O ATOM 0 H ASP A 2 5.463 14.771 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 2 2.669 14.637 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.410 13.892 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.076 12.790 -3.158 1.00 0.00 H new ATOM 26 N VAL A 3 1.663 13.283 -1.010 1.00 0.00 N ATOM 27 CA VAL A 3 0.999 12.435 0.019 1.00 0.00 C ATOM 28 C VAL A 3 0.692 11.038 -0.535 1.00 0.00 C ATOM 29 O VAL A 3 0.278 10.172 0.209 1.00 0.00 O ATOM 30 CB VAL A 3 -0.330 13.109 0.426 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.111 14.616 0.585 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.418 12.870 -0.633 1.00 0.00 C ATOM 0 H VAL A 3 1.064 13.999 -1.421 1.00 0.00 H new ATOM 0 HA VAL A 3 1.666 12.332 0.875 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.658 12.673 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.049 15.092 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.638 14.795 1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.234 15.035 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.343 13.355 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.094 13.286 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.590 11.799 -0.743 1.00 0.00 H new ATOM 42 N TYR A 4 0.825 10.792 -1.821 1.00 0.00 N ATOM 43 CA TYR A 4 0.446 9.426 -2.317 1.00 0.00 C ATOM 44 C TYR A 4 1.519 8.401 -1.924 1.00 0.00 C ATOM 45 O TYR A 4 1.220 7.340 -1.413 1.00 0.00 O ATOM 46 CB TYR A 4 0.225 9.435 -3.834 1.00 0.00 C ATOM 47 CG TYR A 4 -1.184 9.870 -4.172 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.262 9.039 -3.855 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.408 11.085 -4.833 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.564 9.418 -4.195 1.00 0.00 C ATOM 51 CE2 TYR A 4 -2.711 11.464 -5.176 1.00 0.00 C ATOM 52 CZ TYR A 4 -3.789 10.630 -4.859 1.00 0.00 C ATOM 53 OH TYR A 4 -5.073 11.003 -5.196 1.00 0.00 O ATOM 0 H TYR A 4 1.165 11.448 -2.524 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.494 9.137 -1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.941 10.108 -4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.409 8.440 -4.238 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.089 8.102 -3.346 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.576 11.729 -5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.396 8.776 -3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.884 12.400 -5.685 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.497 11.444 -4.431 1.00 0.00 H new ATOM 63 N CYS A 5 2.764 8.716 -2.155 1.00 0.00 N ATOM 64 CA CYS A 5 3.853 7.767 -1.787 1.00 0.00 C ATOM 65 C CYS A 5 3.724 7.430 -0.289 1.00 0.00 C ATOM 66 O CYS A 5 3.879 6.295 0.118 1.00 0.00 O ATOM 67 CB CYS A 5 5.224 8.415 -2.078 1.00 0.00 C ATOM 68 SG CYS A 5 6.296 7.236 -2.944 1.00 0.00 S ATOM 0 H CYS A 5 3.074 9.589 -2.582 1.00 0.00 H new ATOM 0 HA CYS A 5 3.773 6.852 -2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.091 9.311 -2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.693 8.728 -1.145 1.00 0.00 H new ATOM 73 N GLU A 6 3.460 8.412 0.529 1.00 0.00 N ATOM 74 CA GLU A 6 3.343 8.164 1.998 1.00 0.00 C ATOM 75 C GLU A 6 2.217 7.165 2.297 1.00 0.00 C ATOM 76 O GLU A 6 2.377 6.265 3.096 1.00 0.00 O ATOM 77 CB GLU A 6 3.051 9.492 2.704 1.00 0.00 C ATOM 78 CG GLU A 6 2.775 9.241 4.188 1.00 0.00 C ATOM 79 CD GLU A 6 2.857 10.562 4.956 1.00 0.00 C ATOM 80 OE1 GLU A 6 3.960 11.050 5.139 1.00 0.00 O ATOM 81 OE2 GLU A 6 1.816 11.062 5.349 1.00 0.00 O ATOM 0 H GLU A 6 3.319 9.381 0.243 1.00 0.00 H new ATOM 0 HA GLU A 6 4.280 7.741 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.899 10.168 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.192 9.979 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.788 8.796 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.499 8.531 4.588 1.00 0.00 H new ATOM 88 N VAL A 7 1.073 7.327 1.691 1.00 0.00 N ATOM 89 CA VAL A 7 -0.057 6.393 1.982 1.00 0.00 C ATOM 90 C VAL A 7 0.211 5.004 1.390 1.00 0.00 C ATOM 91 O VAL A 7 -0.110 3.999 1.993 1.00 0.00 O ATOM 92 CB VAL A 7 -1.365 6.975 1.433 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.496 5.961 1.621 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.706 8.285 2.172 1.00 0.00 C ATOM 0 H VAL A 7 0.870 8.060 1.011 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.146 6.279 3.062 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.247 7.188 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.425 6.376 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.255 5.043 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.615 5.741 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.636 8.694 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.821 8.083 3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.902 9.006 2.025 1.00 0.00 H new ATOM 104 N CYS A 8 0.799 4.926 0.224 1.00 0.00 N ATOM 105 CA CYS A 8 1.083 3.593 -0.382 1.00 0.00 C ATOM 106 C CYS A 8 1.981 2.796 0.562 1.00 0.00 C ATOM 107 O CYS A 8 1.740 1.638 0.838 1.00 0.00 O ATOM 108 CB CYS A 8 1.780 3.807 -1.738 1.00 0.00 C ATOM 109 SG CYS A 8 3.564 4.011 -1.522 1.00 0.00 S ATOM 0 H CYS A 8 1.094 5.728 -0.333 1.00 0.00 H new ATOM 0 HA CYS A 8 0.158 3.037 -0.538 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.584 2.956 -2.391 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.366 4.688 -2.229 1.00 0.00 H new ATOM 114 N GLU A 9 3.021 3.408 1.053 1.00 0.00 N ATOM 115 CA GLU A 9 3.934 2.685 1.966 1.00 0.00 C ATOM 116 C GLU A 9 3.202 2.381 3.268 1.00 0.00 C ATOM 117 O GLU A 9 3.482 1.392 3.917 1.00 0.00 O ATOM 118 CB GLU A 9 5.165 3.556 2.261 1.00 0.00 C ATOM 119 CG GLU A 9 6.147 3.485 1.087 1.00 0.00 C ATOM 120 CD GLU A 9 6.823 2.114 1.068 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.512 1.801 2.024 1.00 0.00 O ATOM 122 OE2 GLU A 9 6.639 1.399 0.096 1.00 0.00 O ATOM 0 H GLU A 9 3.274 4.377 0.859 1.00 0.00 H new ATOM 0 HA GLU A 9 4.256 1.754 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.859 4.589 2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.652 3.215 3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.620 3.655 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.897 4.271 1.179 1.00 0.00 H new ATOM 129 N PHE A 10 2.259 3.195 3.673 1.00 0.00 N ATOM 130 CA PHE A 10 1.550 2.876 4.937 1.00 0.00 C ATOM 131 C PHE A 10 0.696 1.615 4.742 1.00 0.00 C ATOM 132 O PHE A 10 0.741 0.703 5.544 1.00 0.00 O ATOM 133 CB PHE A 10 0.654 4.038 5.365 1.00 0.00 C ATOM 134 CG PHE A 10 -0.028 3.645 6.649 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.630 3.816 7.871 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.307 3.080 6.613 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.010 3.424 9.062 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.932 2.689 7.805 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.271 2.860 9.029 1.00 0.00 C ATOM 0 H PHE A 10 1.959 4.044 3.194 1.00 0.00 H new ATOM 0 HA PHE A 10 2.292 2.704 5.717 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.244 4.943 5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.083 4.257 4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.618 4.251 7.895 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.812 2.945 5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.519 3.556 10.006 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.921 2.257 7.780 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.750 2.556 9.948 1.00 0.00 H new ATOM 149 N LEU A 11 -0.069 1.537 3.678 1.00 0.00 N ATOM 150 CA LEU A 11 -0.893 0.308 3.457 1.00 0.00 C ATOM 151 C LEU A 11 0.047 -0.884 3.299 1.00 0.00 C ATOM 152 O LEU A 11 -0.180 -1.935 3.866 1.00 0.00 O ATOM 153 CB LEU A 11 -1.755 0.436 2.188 1.00 0.00 C ATOM 154 CG LEU A 11 -2.713 1.631 2.309 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.251 1.998 0.923 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.896 1.280 3.225 1.00 0.00 C ATOM 0 H LEU A 11 -0.157 2.260 2.964 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.557 0.173 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.113 0.563 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.324 -0.480 2.034 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.167 2.473 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.931 2.846 1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.420 2.264 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.785 1.146 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.565 2.137 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.439 0.431 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.524 1.022 4.217 1.00 0.00 H new ATOM 168 N VAL A 12 1.101 -0.745 2.539 1.00 0.00 N ATOM 169 CA VAL A 12 2.037 -1.884 2.363 1.00 0.00 C ATOM 170 C VAL A 12 2.597 -2.300 3.736 1.00 0.00 C ATOM 171 O VAL A 12 2.603 -3.461 4.085 1.00 0.00 O ATOM 172 CB VAL A 12 3.180 -1.429 1.438 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.386 -2.363 1.561 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.689 -1.431 -0.013 1.00 0.00 C ATOM 0 H VAL A 12 1.350 0.106 2.036 1.00 0.00 H new ATOM 0 HA VAL A 12 1.524 -2.739 1.922 1.00 0.00 H new ATOM 0 HB VAL A 12 3.485 -0.425 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.180 -2.021 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.746 -2.359 2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.092 -3.375 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.496 -1.109 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.375 -2.438 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.846 -0.748 -0.113 1.00 0.00 H new ATOM 184 N LYS A 13 3.057 -1.351 4.520 1.00 0.00 N ATOM 185 CA LYS A 13 3.612 -1.687 5.869 1.00 0.00 C ATOM 186 C LYS A 13 2.529 -2.392 6.693 1.00 0.00 C ATOM 187 O LYS A 13 2.777 -3.372 7.367 1.00 0.00 O ATOM 188 CB LYS A 13 4.054 -0.389 6.566 1.00 0.00 C ATOM 189 CG LYS A 13 4.291 -0.637 8.065 1.00 0.00 C ATOM 190 CD LYS A 13 4.992 0.575 8.702 1.00 0.00 C ATOM 191 CE LYS A 13 6.396 0.781 8.100 1.00 0.00 C ATOM 192 NZ LYS A 13 6.963 -0.525 7.660 1.00 0.00 N ATOM 0 H LYS A 13 3.071 -0.359 4.282 1.00 0.00 H new ATOM 0 HA LYS A 13 4.472 -2.349 5.771 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.968 -0.014 6.104 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.292 0.379 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.340 -0.820 8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.900 -1.531 8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.391 1.471 8.546 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.072 0.428 9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.340 1.465 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.053 1.241 8.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.988 -0.426 7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.786 -1.244 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.511 -0.817 6.770 1.00 0.00 H new ATOM 206 N GLU A 14 1.337 -1.870 6.662 1.00 0.00 N ATOM 207 CA GLU A 14 0.230 -2.466 7.461 1.00 0.00 C ATOM 208 C GLU A 14 -0.185 -3.802 6.846 1.00 0.00 C ATOM 209 O GLU A 14 -0.517 -4.738 7.547 1.00 0.00 O ATOM 210 CB GLU A 14 -0.962 -1.481 7.472 1.00 0.00 C ATOM 211 CG GLU A 14 -1.616 -1.452 8.860 1.00 0.00 C ATOM 212 CD GLU A 14 -2.187 -2.832 9.186 1.00 0.00 C ATOM 213 OE1 GLU A 14 -2.696 -3.467 8.280 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.103 -3.230 10.336 1.00 0.00 O ATOM 0 H GLU A 14 1.079 -1.050 6.114 1.00 0.00 H new ATOM 0 HA GLU A 14 0.559 -2.645 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.619 -0.482 7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.696 -1.779 6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.882 -1.164 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.409 -0.704 8.884 1.00 0.00 H new ATOM 221 N VAL A 15 -0.187 -3.902 5.552 1.00 0.00 N ATOM 222 CA VAL A 15 -0.603 -5.179 4.922 1.00 0.00 C ATOM 223 C VAL A 15 0.443 -6.271 5.181 1.00 0.00 C ATOM 224 O VAL A 15 0.102 -7.385 5.497 1.00 0.00 O ATOM 225 CB VAL A 15 -0.806 -4.968 3.412 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.762 -6.322 2.677 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.166 -4.296 3.173 1.00 0.00 C ATOM 0 H VAL A 15 0.080 -3.160 4.905 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.546 -5.504 5.363 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.008 -4.332 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.907 -6.161 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.205 -6.796 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.553 -6.968 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.314 -4.144 2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.960 -4.933 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.191 -3.333 3.683 1.00 0.00 H new ATOM 237 N THR A 16 1.707 -5.999 5.026 1.00 0.00 N ATOM 238 CA THR A 16 2.676 -7.106 5.250 1.00 0.00 C ATOM 239 C THR A 16 2.577 -7.593 6.689 1.00 0.00 C ATOM 240 O THR A 16 2.677 -8.777 6.946 1.00 0.00 O ATOM 241 CB THR A 16 4.120 -6.697 4.963 1.00 0.00 C ATOM 242 OG1 THR A 16 4.667 -6.066 6.112 1.00 0.00 O ATOM 243 CG2 THR A 16 4.218 -5.743 3.760 1.00 0.00 C ATOM 0 H THR A 16 2.101 -5.095 4.764 1.00 0.00 H new ATOM 0 HA THR A 16 2.413 -7.901 4.552 1.00 0.00 H new ATOM 0 HB THR A 16 4.682 -7.599 4.720 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.594 -5.804 5.931 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.261 -5.477 3.591 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.820 -6.235 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.642 -4.840 3.964 1.00 0.00 H new ATOM 251 N LYS A 17 2.373 -6.727 7.641 1.00 0.00 N ATOM 252 CA LYS A 17 2.271 -7.238 9.030 1.00 0.00 C ATOM 253 C LYS A 17 1.055 -8.159 9.079 1.00 0.00 C ATOM 254 O LYS A 17 1.018 -9.138 9.798 1.00 0.00 O ATOM 255 CB LYS A 17 2.095 -6.086 10.029 1.00 0.00 C ATOM 256 CG LYS A 17 1.575 -6.650 11.366 1.00 0.00 C ATOM 257 CD LYS A 17 1.880 -5.698 12.522 1.00 0.00 C ATOM 258 CE LYS A 17 1.590 -6.420 13.842 1.00 0.00 C ATOM 259 NZ LYS A 17 1.512 -5.423 14.948 1.00 0.00 N ATOM 0 H LYS A 17 2.275 -5.719 7.523 1.00 0.00 H new ATOM 0 HA LYS A 17 3.182 -7.770 9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.044 -5.573 10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.395 -5.350 9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.499 -6.815 11.301 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.035 -7.619 11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.922 -5.381 12.486 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.270 -4.798 12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.653 -6.972 13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.373 -7.149 14.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.315 -5.913 15.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.417 -4.916 15.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.750 -4.744 14.750 1.00 0.00 H new ATOM 273 N LEU A 18 0.065 -7.837 8.298 1.00 0.00 N ATOM 274 CA LEU A 18 -1.164 -8.663 8.253 1.00 0.00 C ATOM 275 C LEU A 18 -0.812 -9.977 7.542 1.00 0.00 C ATOM 276 O LEU A 18 -1.288 -11.037 7.896 1.00 0.00 O ATOM 277 CB LEU A 18 -2.267 -7.889 7.496 1.00 0.00 C ATOM 278 CG LEU A 18 -2.858 -6.667 8.299 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.382 -6.789 8.397 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.310 -6.539 9.737 1.00 0.00 C ATOM 0 H LEU A 18 0.058 -7.025 7.681 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.538 -8.882 9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.860 -7.528 6.552 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.077 -8.576 7.252 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.554 -5.781 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.780 -5.940 8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.811 -6.800 7.395 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.641 -7.714 8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.764 -5.676 10.224 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.551 -7.441 10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.228 -6.410 9.704 1.00 0.00 H new ATOM 292 N ILE A 19 0.059 -9.912 6.572 1.00 0.00 N ATOM 293 CA ILE A 19 0.495 -11.147 5.864 1.00 0.00 C ATOM 294 C ILE A 19 1.388 -11.921 6.825 1.00 0.00 C ATOM 295 O ILE A 19 1.420 -13.136 6.831 1.00 0.00 O ATOM 296 CB ILE A 19 1.288 -10.766 4.602 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.353 -10.039 3.625 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.850 -12.024 3.928 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.130 -9.597 2.382 1.00 0.00 C ATOM 0 H ILE A 19 0.490 -9.050 6.238 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.361 -11.749 5.561 1.00 0.00 H new ATOM 0 HB ILE A 19 2.117 -10.116 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.466 -10.697 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.092 -9.172 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.409 -11.740 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.512 -12.543 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.029 -12.684 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.457 -9.083 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.934 -8.922 2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.553 -10.471 1.888 1.00 0.00 H new ATOM 311 N ASP A 20 2.118 -11.210 7.638 1.00 0.00 N ATOM 312 CA ASP A 20 3.026 -11.868 8.610 1.00 0.00 C ATOM 313 C ASP A 20 2.222 -12.444 9.776 1.00 0.00 C ATOM 314 O ASP A 20 2.677 -13.351 10.445 1.00 0.00 O ATOM 315 CB ASP A 20 4.022 -10.838 9.144 1.00 0.00 C ATOM 316 CG ASP A 20 5.084 -11.545 9.990 1.00 0.00 C ATOM 317 OD1 ASP A 20 5.993 -12.114 9.409 1.00 0.00 O ATOM 318 OD2 ASP A 20 4.970 -11.505 11.203 1.00 0.00 O ATOM 0 H ASP A 20 2.122 -10.190 7.669 1.00 0.00 H new ATOM 0 HA ASP A 20 3.558 -12.678 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.494 -10.310 8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.502 -10.091 9.744 1.00 0.00 H new ATOM 323 N ASN A 21 1.035 -11.936 10.041 1.00 0.00 N ATOM 324 CA ASN A 21 0.241 -12.489 11.191 1.00 0.00 C ATOM 325 C ASN A 21 -0.609 -13.671 10.703 1.00 0.00 C ATOM 326 O ASN A 21 -1.326 -14.278 11.470 1.00 0.00 O ATOM 327 CB ASN A 21 -0.626 -11.402 11.832 1.00 0.00 C ATOM 328 CG ASN A 21 -1.400 -11.994 13.011 1.00 0.00 C ATOM 329 OD1 ASN A 21 -0.980 -13.101 13.561 1.00 0.00 O flip ATOM 330 ND2 ASN A 21 -2.396 -11.445 13.437 1.00 0.00 N flip ATOM 0 H ASN A 21 0.590 -11.179 9.522 1.00 0.00 H new ATOM 0 HA ASN A 21 0.926 -12.846 11.960 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.000 -10.577 12.172 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.319 -10.994 11.096 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.725 -10.580 13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.904 -11.849 14.224 1.00 0.00 H new ATOM 337 N ASN A 22 -0.469 -14.044 9.449 1.00 0.00 N ATOM 338 CA ASN A 22 -1.193 -15.250 8.904 1.00 0.00 C ATOM 339 C ASN A 22 -2.673 -14.982 8.588 1.00 0.00 C ATOM 340 O ASN A 22 -3.517 -15.812 8.864 1.00 0.00 O ATOM 341 CB ASN A 22 -1.106 -16.411 9.916 1.00 0.00 C ATOM 342 CG ASN A 22 0.256 -16.384 10.616 1.00 0.00 C ATOM 343 OD1 ASN A 22 1.251 -16.024 10.020 1.00 0.00 O ATOM 344 ND2 ASN A 22 0.340 -16.751 11.866 1.00 0.00 N ATOM 0 H ASN A 22 0.121 -13.562 8.771 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.700 -15.506 7.966 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.906 -16.326 10.652 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.244 -17.363 9.404 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.242 -16.735 12.343 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.496 -17.053 12.366 1.00 0.00 H new ATOM 351 N LYS A 23 -3.011 -13.864 8.005 1.00 0.00 N ATOM 352 CA LYS A 23 -4.453 -13.604 7.673 1.00 0.00 C ATOM 353 C LYS A 23 -4.699 -13.982 6.201 1.00 0.00 C ATOM 354 O LYS A 23 -3.811 -13.912 5.374 1.00 0.00 O ATOM 355 CB LYS A 23 -4.759 -12.123 7.895 1.00 0.00 C ATOM 356 CG LYS A 23 -4.125 -11.611 9.228 1.00 0.00 C ATOM 357 CD LYS A 23 -5.182 -10.943 10.130 1.00 0.00 C ATOM 358 CE LYS A 23 -4.585 -10.690 11.516 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.648 -10.187 12.430 1.00 0.00 N ATOM 0 H LYS A 23 -2.362 -13.122 7.744 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.103 -14.201 8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.375 -11.540 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.838 -11.971 7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.666 -12.445 9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.331 -10.898 9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.511 -10.003 9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.061 -11.582 10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.155 -11.610 11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.775 -9.964 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.243 -10.015 13.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.038 -9.300 12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.406 -10.895 12.503 1.00 0.00 H new ATOM 373 N THR A 24 -5.910 -14.379 5.872 1.00 0.00 N ATOM 374 CA THR A 24 -6.233 -14.761 4.460 1.00 0.00 C ATOM 375 C THR A 24 -6.467 -13.516 3.601 1.00 0.00 C ATOM 376 O THR A 24 -6.570 -12.417 4.102 1.00 0.00 O ATOM 377 CB THR A 24 -7.513 -15.607 4.417 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.643 -14.746 4.368 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.606 -16.487 5.657 1.00 0.00 C ATOM 0 H THR A 24 -6.690 -14.454 6.525 1.00 0.00 H new ATOM 0 HA THR A 24 -5.387 -15.328 4.072 1.00 0.00 H new ATOM 0 HB THR A 24 -7.489 -16.242 3.531 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.462 -15.283 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.518 -17.082 5.614 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.742 -17.150 5.698 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.624 -15.859 6.548 1.00 0.00 H new ATOM 387 N GLU A 25 -6.591 -13.698 2.311 1.00 0.00 N ATOM 388 CA GLU A 25 -6.857 -12.538 1.408 1.00 0.00 C ATOM 389 C GLU A 25 -8.232 -11.953 1.772 1.00 0.00 C ATOM 390 O GLU A 25 -8.401 -10.755 1.878 1.00 0.00 O ATOM 391 CB GLU A 25 -6.848 -13.020 -0.048 1.00 0.00 C ATOM 392 CG GLU A 25 -6.772 -11.822 -1.001 1.00 0.00 C ATOM 393 CD GLU A 25 -7.263 -12.236 -2.392 1.00 0.00 C ATOM 394 OE1 GLU A 25 -6.509 -12.892 -3.092 1.00 0.00 O ATOM 395 OE2 GLU A 25 -8.382 -11.890 -2.731 1.00 0.00 O ATOM 0 H GLU A 25 -6.519 -14.602 1.843 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.091 -11.772 1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.998 -13.681 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.748 -13.600 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.381 -11.002 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.747 -11.457 -1.061 1.00 0.00 H new ATOM 402 N LYS A 26 -9.212 -12.799 1.957 1.00 0.00 N ATOM 403 CA LYS A 26 -10.585 -12.321 2.308 1.00 0.00 C ATOM 404 C LYS A 26 -10.545 -11.427 3.559 1.00 0.00 C ATOM 405 O LYS A 26 -11.324 -10.504 3.692 1.00 0.00 O ATOM 406 CB LYS A 26 -11.498 -13.542 2.565 1.00 0.00 C ATOM 407 CG LYS A 26 -12.247 -13.932 1.280 1.00 0.00 C ATOM 408 CD LYS A 26 -12.810 -15.349 1.420 1.00 0.00 C ATOM 409 CE LYS A 26 -13.792 -15.399 2.592 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.623 -16.632 2.489 1.00 0.00 N ATOM 0 H LYS A 26 -9.120 -13.812 1.879 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.979 -11.733 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.900 -14.384 2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.213 -13.309 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.056 -13.226 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.573 -13.881 0.425 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.313 -15.644 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.999 -16.059 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.248 -15.391 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.430 -14.515 2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.291 -16.668 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.152 -16.621 1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.007 -17.469 2.517 1.00 0.00 H new ATOM 424 N GLU A 27 -9.664 -11.693 4.475 1.00 0.00 N ATOM 425 CA GLU A 27 -9.604 -10.860 5.711 1.00 0.00 C ATOM 426 C GLU A 27 -8.908 -9.518 5.434 1.00 0.00 C ATOM 427 O GLU A 27 -9.281 -8.501 5.985 1.00 0.00 O ATOM 428 CB GLU A 27 -8.834 -11.617 6.794 1.00 0.00 C ATOM 429 CG GLU A 27 -9.711 -12.734 7.368 1.00 0.00 C ATOM 430 CD GLU A 27 -10.823 -12.124 8.224 1.00 0.00 C ATOM 431 OE1 GLU A 27 -10.498 -11.450 9.189 1.00 0.00 O ATOM 432 OE2 GLU A 27 -11.979 -12.340 7.901 1.00 0.00 O ATOM 0 H GLU A 27 -8.981 -12.449 4.426 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.622 -10.660 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.920 -12.038 6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.536 -10.932 7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.143 -13.323 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.106 -13.413 7.969 1.00 0.00 H new ATOM 439 N ILE A 28 -7.905 -9.491 4.598 1.00 0.00 N ATOM 440 CA ILE A 28 -7.211 -8.197 4.320 1.00 0.00 C ATOM 441 C ILE A 28 -8.198 -7.246 3.649 1.00 0.00 C ATOM 442 O ILE A 28 -8.218 -6.063 3.926 1.00 0.00 O ATOM 443 CB ILE A 28 -6.003 -8.468 3.405 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.249 -9.728 3.933 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.097 -7.232 3.359 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.723 -9.558 3.959 1.00 0.00 C ATOM 0 H ILE A 28 -7.537 -10.301 4.098 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.855 -7.741 5.244 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.330 -8.666 2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.599 -9.957 4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.501 -10.583 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.244 -7.430 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.659 -6.383 2.970 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.743 -7.003 4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.262 -10.471 4.336 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.362 -9.359 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.461 -8.723 4.609 1.00 0.00 H new ATOM 458 N LEU A 29 -9.023 -7.746 2.778 1.00 0.00 N ATOM 459 CA LEU A 29 -10.013 -6.867 2.104 1.00 0.00 C ATOM 460 C LEU A 29 -11.126 -6.493 3.091 1.00 0.00 C ATOM 461 O LEU A 29 -11.719 -5.439 3.012 1.00 0.00 O ATOM 462 CB LEU A 29 -10.596 -7.613 0.903 1.00 0.00 C ATOM 463 CG LEU A 29 -9.452 -8.113 0.012 1.00 0.00 C ATOM 464 CD1 LEU A 29 -10.031 -8.953 -1.131 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.681 -6.915 -0.570 1.00 0.00 C ATOM 0 H LEU A 29 -9.055 -8.728 2.503 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.530 -5.951 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.202 -8.453 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.253 -6.954 0.335 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.771 -8.722 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.221 -9.310 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.571 -9.805 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.713 -8.342 -1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.870 -7.277 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.358 -6.301 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.269 -6.318 0.243 1.00 0.00 H new ATOM 477 N ASP A 30 -11.399 -7.351 4.037 1.00 0.00 N ATOM 478 CA ASP A 30 -12.449 -7.036 5.050 1.00 0.00 C ATOM 479 C ASP A 30 -11.944 -5.887 5.933 1.00 0.00 C ATOM 480 O ASP A 30 -12.669 -4.962 6.240 1.00 0.00 O ATOM 481 CB ASP A 30 -12.719 -8.270 5.914 1.00 0.00 C ATOM 482 CG ASP A 30 -13.883 -7.983 6.864 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.915 -7.538 6.387 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.724 -8.213 8.051 1.00 0.00 O ATOM 0 H ASP A 30 -10.941 -8.255 4.153 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.374 -6.746 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.955 -9.126 5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.827 -8.531 6.483 1.00 0.00 H new ATOM 489 N ALA A 31 -10.713 -5.953 6.360 1.00 0.00 N ATOM 490 CA ALA A 31 -10.158 -4.885 7.244 1.00 0.00 C ATOM 491 C ALA A 31 -10.006 -3.565 6.471 1.00 0.00 C ATOM 492 O ALA A 31 -10.032 -2.500 7.056 1.00 0.00 O ATOM 493 CB ALA A 31 -8.794 -5.341 7.768 1.00 0.00 C ATOM 0 H ALA A 31 -10.062 -6.705 6.134 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.841 -4.714 8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.377 -4.570 8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.912 -6.265 8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.121 -5.513 6.928 1.00 0.00 H new ATOM 499 N PHE A 32 -9.869 -3.608 5.176 1.00 0.00 N ATOM 500 CA PHE A 32 -9.743 -2.338 4.394 1.00 0.00 C ATOM 501 C PHE A 32 -10.889 -1.397 4.768 1.00 0.00 C ATOM 502 O PHE A 32 -10.863 -0.221 4.461 1.00 0.00 O ATOM 503 CB PHE A 32 -9.820 -2.691 2.898 1.00 0.00 C ATOM 504 CG PHE A 32 -8.462 -3.111 2.338 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.384 -3.496 3.173 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.280 -3.099 0.949 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.156 -3.853 2.607 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.048 -3.457 0.391 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.987 -3.830 1.220 1.00 0.00 C ATOM 0 H PHE A 32 -9.838 -4.464 4.622 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.797 -1.843 4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.537 -3.499 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.191 -1.831 2.341 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.511 -3.514 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.097 -2.811 0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.335 -4.148 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.917 -3.445 -0.681 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.035 -4.101 0.788 1.00 0.00 H new ATOM 519 N ASP A 33 -11.901 -1.901 5.414 1.00 0.00 N ATOM 520 CA ASP A 33 -13.050 -1.032 5.787 1.00 0.00 C ATOM 521 C ASP A 33 -12.729 -0.268 7.081 1.00 0.00 C ATOM 522 O ASP A 33 -13.294 0.777 7.338 1.00 0.00 O ATOM 523 CB ASP A 33 -14.301 -1.907 5.967 1.00 0.00 C ATOM 524 CG ASP A 33 -15.393 -1.134 6.717 1.00 0.00 C ATOM 525 OD1 ASP A 33 -15.959 -0.228 6.129 1.00 0.00 O ATOM 526 OD2 ASP A 33 -15.641 -1.463 7.865 1.00 0.00 O ATOM 0 H ASP A 33 -11.983 -2.877 5.700 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.236 -0.302 4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.674 -2.223 4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.043 -2.811 6.518 1.00 0.00 H new ATOM 531 N LYS A 34 -11.826 -0.771 7.896 1.00 0.00 N ATOM 532 CA LYS A 34 -11.466 -0.062 9.173 1.00 0.00 C ATOM 533 C LYS A 34 -9.974 0.290 9.176 1.00 0.00 C ATOM 534 O LYS A 34 -9.434 0.707 10.180 1.00 0.00 O ATOM 535 CB LYS A 34 -11.750 -0.977 10.370 1.00 0.00 C ATOM 536 CG LYS A 34 -13.155 -1.573 10.256 1.00 0.00 C ATOM 537 CD LYS A 34 -13.604 -2.103 11.620 1.00 0.00 C ATOM 538 CE LYS A 34 -12.683 -3.244 12.051 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.304 -3.982 13.188 1.00 0.00 N ATOM 0 H LYS A 34 -11.322 -1.643 7.732 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.062 0.848 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.010 -1.776 10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.660 -0.413 11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.854 -0.815 9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.160 -2.379 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.579 -1.302 12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.634 -2.454 11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.510 -3.922 11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.711 -2.849 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.677 -4.758 13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.447 -3.332 13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.221 -4.371 12.890 1.00 0.00 H new ATOM 553 N MET A 35 -9.296 0.120 8.069 1.00 0.00 N ATOM 554 CA MET A 35 -7.836 0.445 8.035 1.00 0.00 C ATOM 555 C MET A 35 -7.650 1.951 7.813 1.00 0.00 C ATOM 556 O MET A 35 -6.831 2.565 8.470 1.00 0.00 O ATOM 557 CB MET A 35 -7.153 -0.368 6.911 1.00 0.00 C ATOM 558 CG MET A 35 -5.904 -1.081 7.433 1.00 0.00 C ATOM 559 SD MET A 35 -4.911 -1.664 6.030 1.00 0.00 S ATOM 560 CE MET A 35 -5.141 -3.445 6.276 1.00 0.00 C ATOM 0 H MET A 35 -9.686 -0.227 7.193 1.00 0.00 H new ATOM 0 HA MET A 35 -7.374 0.178 8.985 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.853 -1.100 6.510 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.881 0.296 6.090 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.316 -0.403 8.051 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.189 -1.922 8.065 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.383 -3.991 5.715 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.048 -3.681 7.336 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.131 -3.736 5.925 1.00 0.00 H new ATOM 570 N CYS A 36 -8.382 2.580 6.923 1.00 0.00 N ATOM 571 CA CYS A 36 -8.161 4.041 6.768 1.00 0.00 C ATOM 572 C CYS A 36 -8.577 4.693 8.079 1.00 0.00 C ATOM 573 O CYS A 36 -8.463 5.889 8.263 1.00 0.00 O ATOM 574 CB CYS A 36 -8.973 4.628 5.609 1.00 0.00 C ATOM 575 SG CYS A 36 -8.148 6.117 5.010 1.00 0.00 S ATOM 0 H CYS A 36 -9.093 2.161 6.323 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.113 4.230 6.538 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.063 3.898 4.805 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.984 4.865 5.940 1.00 0.00 H new ATOM 580 N SER A 37 -9.070 3.905 8.993 1.00 0.00 N ATOM 581 CA SER A 37 -9.509 4.469 10.304 1.00 0.00 C ATOM 582 C SER A 37 -8.309 4.628 11.246 1.00 0.00 C ATOM 583 O SER A 37 -8.476 4.867 12.426 1.00 0.00 O ATOM 584 CB SER A 37 -10.531 3.530 10.945 1.00 0.00 C ATOM 585 OG SER A 37 -11.212 4.217 11.987 1.00 0.00 O ATOM 0 H SER A 37 -9.189 2.897 8.891 1.00 0.00 H new ATOM 0 HA SER A 37 -9.958 5.447 10.133 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.243 3.184 10.196 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.031 2.647 11.342 1.00 0.00 H new ATOM 0 HG SER A 37 -10.562 4.700 12.539 1.00 0.00 H new ATOM 591 N LYS A 38 -7.101 4.498 10.739 1.00 0.00 N ATOM 592 CA LYS A 38 -5.884 4.640 11.613 1.00 0.00 C ATOM 593 C LYS A 38 -5.018 5.817 11.131 1.00 0.00 C ATOM 594 O LYS A 38 -3.889 5.973 11.555 1.00 0.00 O ATOM 595 CB LYS A 38 -5.071 3.337 11.570 1.00 0.00 C ATOM 596 CG LYS A 38 -5.730 2.289 12.472 1.00 0.00 C ATOM 597 CD LYS A 38 -4.985 0.959 12.339 1.00 0.00 C ATOM 598 CE LYS A 38 -5.781 -0.147 13.035 1.00 0.00 C ATOM 599 NZ LYS A 38 -7.155 -0.208 12.462 1.00 0.00 N ATOM 0 H LYS A 38 -6.905 4.300 9.758 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.199 4.837 12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.014 2.966 10.547 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.049 3.523 11.899 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.714 2.625 13.509 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.776 2.161 12.194 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.845 0.713 11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.993 1.041 12.782 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.279 -1.106 12.907 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.831 0.046 14.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.538 -1.168 12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.768 0.472 12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.120 0.029 11.450 1.00 0.00 H new ATOM 613 N LEU A 39 -5.540 6.651 10.258 1.00 0.00 N ATOM 614 CA LEU A 39 -4.759 7.835 9.749 1.00 0.00 C ATOM 615 C LEU A 39 -5.555 9.117 10.067 1.00 0.00 C ATOM 616 O LEU A 39 -6.766 9.098 9.975 1.00 0.00 O ATOM 617 CB LEU A 39 -4.612 7.728 8.221 1.00 0.00 C ATOM 618 CG LEU A 39 -3.890 6.432 7.830 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.885 6.305 6.306 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.440 6.454 8.336 1.00 0.00 C ATOM 0 H LEU A 39 -6.480 6.564 9.872 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.776 7.860 10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.597 7.756 7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.056 8.587 7.844 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.410 5.586 8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.374 5.386 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.911 6.279 5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.367 7.160 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.941 5.528 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.914 7.300 7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.435 6.549 9.422 1.00 0.00 H new ATOM 632 N PRO A 40 -4.888 10.208 10.421 1.00 0.00 N ATOM 633 CA PRO A 40 -5.602 11.459 10.719 1.00 0.00 C ATOM 634 C PRO A 40 -6.678 11.730 9.648 1.00 0.00 C ATOM 635 O PRO A 40 -6.613 11.189 8.562 1.00 0.00 O ATOM 636 CB PRO A 40 -4.499 12.545 10.761 1.00 0.00 C ATOM 637 CG PRO A 40 -3.131 11.806 10.762 1.00 0.00 C ATOM 638 CD PRO A 40 -3.415 10.302 10.560 1.00 0.00 C ATOM 0 HA PRO A 40 -6.145 11.430 11.664 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.578 13.208 9.900 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.603 13.165 11.651 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.490 12.185 9.966 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.605 11.974 11.702 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.909 9.920 9.673 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.060 9.715 11.407 1.00 0.00 H new ATOM 646 N LYS A 41 -7.673 12.528 9.924 1.00 0.00 N ATOM 647 CA LYS A 41 -8.726 12.766 8.891 1.00 0.00 C ATOM 648 C LYS A 41 -8.153 13.478 7.661 1.00 0.00 C ATOM 649 O LYS A 41 -8.794 13.560 6.632 1.00 0.00 O ATOM 650 CB LYS A 41 -9.857 13.607 9.486 1.00 0.00 C ATOM 651 CG LYS A 41 -11.144 13.402 8.668 1.00 0.00 C ATOM 652 CD LYS A 41 -12.241 14.395 9.123 1.00 0.00 C ATOM 653 CE LYS A 41 -12.231 15.649 8.237 1.00 0.00 C ATOM 654 NZ LYS A 41 -10.854 16.210 8.171 1.00 0.00 N ATOM 0 H LYS A 41 -7.804 13.021 10.807 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.111 11.796 8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.026 13.323 10.525 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.578 14.661 9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.934 13.544 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.499 12.379 8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.218 13.915 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.077 14.676 10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.580 15.400 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.918 16.394 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.871 17.113 7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.497 16.369 9.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.230 15.541 7.677 1.00 0.00 H new ATOM 668 N SER A 42 -6.995 14.065 7.773 1.00 0.00 N ATOM 669 CA SER A 42 -6.455 14.847 6.623 1.00 0.00 C ATOM 670 C SER A 42 -5.984 13.972 5.457 1.00 0.00 C ATOM 671 O SER A 42 -5.786 14.450 4.358 1.00 0.00 O ATOM 672 CB SER A 42 -5.325 15.764 7.087 1.00 0.00 C ATOM 673 OG SER A 42 -4.662 16.303 5.952 1.00 0.00 O ATOM 0 H SER A 42 -6.402 14.039 8.603 1.00 0.00 H new ATOM 0 HA SER A 42 -7.283 15.445 6.244 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.724 16.568 7.705 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.620 15.208 7.704 1.00 0.00 H new ATOM 0 HG SER A 42 -3.937 16.893 6.246 1.00 0.00 H new ATOM 679 N LEU A 43 -5.823 12.690 5.686 1.00 0.00 N ATOM 680 CA LEU A 43 -5.382 11.762 4.585 1.00 0.00 C ATOM 681 C LEU A 43 -6.515 10.783 4.275 1.00 0.00 C ATOM 682 O LEU A 43 -6.379 9.936 3.415 1.00 0.00 O ATOM 683 CB LEU A 43 -4.148 10.952 5.012 1.00 0.00 C ATOM 684 CG LEU A 43 -3.093 11.855 5.650 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.834 11.044 5.959 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.735 13.005 4.701 1.00 0.00 C ATOM 0 H LEU A 43 -5.977 12.241 6.589 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.131 12.361 3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.444 10.177 5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.723 10.446 4.145 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.499 12.266 6.574 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.086 11.693 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.081 10.237 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.436 10.623 5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.983 13.641 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.340 12.599 3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.628 13.594 4.490 1.00 0.00 H new ATOM 698 N SER A 44 -7.620 10.878 4.980 1.00 0.00 N ATOM 699 CA SER A 44 -8.769 9.940 4.740 1.00 0.00 C ATOM 700 C SER A 44 -8.902 9.640 3.249 1.00 0.00 C ATOM 701 O SER A 44 -8.801 8.523 2.790 1.00 0.00 O ATOM 702 CB SER A 44 -10.061 10.583 5.246 1.00 0.00 C ATOM 703 OG SER A 44 -11.171 9.794 4.837 1.00 0.00 O ATOM 0 H SER A 44 -7.777 11.568 5.715 1.00 0.00 H new ATOM 0 HA SER A 44 -8.585 9.008 5.274 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.039 10.664 6.333 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.155 11.595 4.853 1.00 0.00 H new ATOM 0 HG SER A 44 -12.000 10.203 5.161 1.00 0.00 H new ATOM 709 N GLU A 45 -9.290 10.661 2.535 1.00 0.00 N ATOM 710 CA GLU A 45 -9.644 10.574 1.094 1.00 0.00 C ATOM 711 C GLU A 45 -8.630 9.964 0.139 1.00 0.00 C ATOM 712 O GLU A 45 -8.926 9.047 -0.603 1.00 0.00 O ATOM 713 CB GLU A 45 -9.897 12.000 0.604 1.00 0.00 C ATOM 714 CG GLU A 45 -11.034 12.633 1.410 1.00 0.00 C ATOM 715 CD GLU A 45 -11.221 14.086 0.972 1.00 0.00 C ATOM 716 OE1 GLU A 45 -11.541 14.300 -0.186 1.00 0.00 O ATOM 717 OE2 GLU A 45 -11.039 14.962 1.802 1.00 0.00 O ATOM 0 H GLU A 45 -9.379 11.602 2.918 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.496 9.894 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.990 12.596 0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.152 11.990 -0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.957 12.074 1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.807 12.589 2.475 1.00 0.00 H new ATOM 724 N GLU A 46 -7.437 10.462 0.157 1.00 0.00 N ATOM 725 CA GLU A 46 -6.394 9.918 -0.737 1.00 0.00 C ATOM 726 C GLU A 46 -6.234 8.422 -0.482 1.00 0.00 C ATOM 727 O GLU A 46 -5.773 7.693 -1.330 1.00 0.00 O ATOM 728 CB GLU A 46 -5.072 10.641 -0.465 1.00 0.00 C ATOM 729 CG GLU A 46 -5.327 12.142 -0.281 1.00 0.00 C ATOM 730 CD GLU A 46 -6.169 12.672 -1.444 1.00 0.00 C ATOM 731 OE1 GLU A 46 -5.904 12.281 -2.569 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.066 13.459 -1.190 1.00 0.00 O ATOM 0 H GLU A 46 -7.136 11.229 0.758 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.681 10.071 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.600 10.231 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.382 10.479 -1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.842 12.319 0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.379 12.678 -0.233 1.00 0.00 H new ATOM 739 N CYS A 47 -6.624 7.947 0.667 1.00 0.00 N ATOM 740 CA CYS A 47 -6.495 6.491 0.932 1.00 0.00 C ATOM 741 C CYS A 47 -7.659 5.777 0.244 1.00 0.00 C ATOM 742 O CYS A 47 -7.490 4.747 -0.378 1.00 0.00 O ATOM 743 CB CYS A 47 -6.530 6.247 2.454 1.00 0.00 C ATOM 744 SG CYS A 47 -8.226 5.911 3.008 1.00 0.00 S ATOM 0 H CYS A 47 -7.023 8.499 1.427 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.552 6.107 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.885 5.406 2.708 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.137 7.119 2.977 1.00 0.00 H new ATOM 749 N GLN A 48 -8.839 6.312 0.355 1.00 0.00 N ATOM 750 CA GLN A 48 -10.006 5.654 -0.288 1.00 0.00 C ATOM 751 C GLN A 48 -9.702 5.426 -1.762 1.00 0.00 C ATOM 752 O GLN A 48 -9.951 4.367 -2.304 1.00 0.00 O ATOM 753 CB GLN A 48 -11.244 6.541 -0.156 1.00 0.00 C ATOM 754 CG GLN A 48 -11.740 6.506 1.288 1.00 0.00 C ATOM 755 CD GLN A 48 -12.355 5.139 1.590 1.00 0.00 C ATOM 756 OE1 GLN A 48 -11.659 4.216 1.965 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.641 4.970 1.444 1.00 0.00 N ATOM 0 H GLN A 48 -9.046 7.173 0.861 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.197 4.700 0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.005 7.564 -0.445 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.027 6.194 -0.830 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.914 6.702 1.971 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -12.479 7.291 1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.225 5.745 1.129 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.062 4.063 1.645 1.00 0.00 H new ATOM 766 N GLU A 49 -9.178 6.421 -2.422 1.00 0.00 N ATOM 767 CA GLU A 49 -8.873 6.273 -3.865 1.00 0.00 C ATOM 768 C GLU A 49 -7.761 5.242 -4.070 1.00 0.00 C ATOM 769 O GLU A 49 -7.813 4.434 -4.976 1.00 0.00 O ATOM 770 CB GLU A 49 -8.430 7.623 -4.431 1.00 0.00 C ATOM 771 CG GLU A 49 -8.019 7.452 -5.895 1.00 0.00 C ATOM 772 CD GLU A 49 -7.875 8.828 -6.549 1.00 0.00 C ATOM 773 OE1 GLU A 49 -8.615 9.721 -6.173 1.00 0.00 O ATOM 774 OE2 GLU A 49 -7.024 8.965 -7.414 1.00 0.00 O ATOM 0 H GLU A 49 -8.949 7.330 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.769 5.932 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.241 8.346 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.595 8.016 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.077 6.907 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.765 6.861 -6.427 1.00 0.00 H new ATOM 781 N VAL A 50 -6.754 5.252 -3.231 1.00 0.00 N ATOM 782 CA VAL A 50 -5.658 4.258 -3.388 1.00 0.00 C ATOM 783 C VAL A 50 -6.192 2.871 -3.055 1.00 0.00 C ATOM 784 O VAL A 50 -6.029 1.933 -3.810 1.00 0.00 O ATOM 785 CB VAL A 50 -4.490 4.578 -2.444 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.375 3.546 -2.651 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.949 5.993 -2.734 1.00 0.00 C ATOM 0 H VAL A 50 -6.648 5.901 -2.452 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.300 4.295 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.839 4.538 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.544 3.770 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.757 2.549 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.030 3.585 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.121 6.211 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.600 6.045 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.743 6.724 -2.582 1.00 0.00 H new ATOM 797 N VAL A 51 -6.805 2.721 -1.910 1.00 0.00 N ATOM 798 CA VAL A 51 -7.313 1.381 -1.517 1.00 0.00 C ATOM 799 C VAL A 51 -8.350 0.893 -2.538 1.00 0.00 C ATOM 800 O VAL A 51 -8.283 -0.212 -3.037 1.00 0.00 O ATOM 801 CB VAL A 51 -7.875 1.450 -0.091 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.322 0.068 0.369 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.788 1.967 0.860 1.00 0.00 C ATOM 0 H VAL A 51 -6.974 3.467 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.502 0.653 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.732 2.124 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.718 0.132 1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.097 -0.305 -0.301 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.471 -0.613 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.185 2.017 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.933 1.291 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.472 2.961 0.545 1.00 0.00 H new ATOM 813 N ASP A 52 -9.346 1.702 -2.797 1.00 0.00 N ATOM 814 CA ASP A 52 -10.450 1.300 -3.721 1.00 0.00 C ATOM 815 C ASP A 52 -9.959 1.066 -5.150 1.00 0.00 C ATOM 816 O ASP A 52 -10.363 0.126 -5.807 1.00 0.00 O ATOM 817 CB ASP A 52 -11.512 2.406 -3.732 1.00 0.00 C ATOM 818 CG ASP A 52 -12.023 2.634 -2.307 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.234 2.496 -1.387 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.194 2.943 -2.162 1.00 0.00 O ATOM 0 H ASP A 52 -9.442 2.637 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.863 0.359 -3.357 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.089 3.328 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.338 2.126 -4.386 1.00 0.00 H new ATOM 825 N THR A 53 -9.111 1.921 -5.648 1.00 0.00 N ATOM 826 CA THR A 53 -8.619 1.760 -7.044 1.00 0.00 C ATOM 827 C THR A 53 -7.420 0.820 -7.088 1.00 0.00 C ATOM 828 O THR A 53 -7.295 0.031 -8.004 1.00 0.00 O ATOM 829 CB THR A 53 -8.210 3.130 -7.592 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.270 4.054 -7.385 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.914 3.017 -9.088 1.00 0.00 C ATOM 0 H THR A 53 -8.736 2.727 -5.147 1.00 0.00 H new ATOM 0 HA THR A 53 -9.417 1.334 -7.652 1.00 0.00 H new ATOM 0 HB THR A 53 -7.316 3.478 -7.074 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.154 4.496 -6.518 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.623 3.993 -9.476 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.102 2.307 -9.246 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.806 2.670 -9.610 1.00 0.00 H new ATOM 839 N TYR A 54 -6.522 0.905 -6.139 1.00 0.00 N ATOM 840 CA TYR A 54 -5.311 0.023 -6.173 1.00 0.00 C ATOM 841 C TYR A 54 -5.328 -1.032 -5.061 1.00 0.00 C ATOM 842 O TYR A 54 -4.303 -1.410 -4.533 1.00 0.00 O ATOM 843 CB TYR A 54 -4.065 0.885 -6.042 1.00 0.00 C ATOM 844 CG TYR A 54 -3.936 1.766 -7.263 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.540 3.024 -7.274 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.212 1.329 -8.378 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.426 3.852 -8.391 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.096 2.157 -9.503 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.703 3.420 -9.509 1.00 0.00 C ATOM 850 OH TYR A 54 -3.589 4.235 -10.617 1.00 0.00 O ATOM 0 H TYR A 54 -6.573 1.543 -5.345 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.311 -0.510 -7.124 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.126 1.497 -5.142 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.182 0.254 -5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.099 3.359 -6.413 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.744 0.356 -8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.895 4.825 -8.393 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.539 1.822 -10.365 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.054 3.783 -11.302 1.00 0.00 H new ATOM 860 N GLY A 55 -6.492 -1.474 -4.672 1.00 0.00 N ATOM 861 CA GLY A 55 -6.590 -2.463 -3.561 1.00 0.00 C ATOM 862 C GLY A 55 -6.295 -3.882 -4.041 1.00 0.00 C ATOM 863 O GLY A 55 -5.433 -4.552 -3.506 1.00 0.00 O ATOM 0 H GLY A 55 -7.384 -1.191 -5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.890 -2.193 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.589 -2.426 -3.128 1.00 0.00 H new ATOM 867 N SER A 56 -7.007 -4.372 -5.021 1.00 0.00 N ATOM 868 CA SER A 56 -6.741 -5.762 -5.467 1.00 0.00 C ATOM 869 C SER A 56 -5.353 -5.845 -6.079 1.00 0.00 C ATOM 870 O SER A 56 -4.726 -6.885 -6.098 1.00 0.00 O ATOM 871 CB SER A 56 -7.773 -6.203 -6.504 1.00 0.00 C ATOM 872 OG SER A 56 -9.042 -5.657 -6.172 1.00 0.00 O ATOM 0 H SER A 56 -7.746 -3.878 -5.521 1.00 0.00 H new ATOM 0 HA SER A 56 -6.806 -6.420 -4.601 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.471 -5.871 -7.497 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.830 -7.291 -6.536 1.00 0.00 H new ATOM 0 HG SER A 56 -9.704 -5.938 -6.838 1.00 0.00 H new ATOM 878 N SER A 57 -4.899 -4.760 -6.651 1.00 0.00 N ATOM 879 CA SER A 57 -3.585 -4.800 -7.341 1.00 0.00 C ATOM 880 C SER A 57 -2.431 -4.805 -6.341 1.00 0.00 C ATOM 881 O SER A 57 -1.539 -5.621 -6.426 1.00 0.00 O ATOM 882 CB SER A 57 -3.451 -3.633 -8.319 1.00 0.00 C ATOM 883 OG SER A 57 -3.629 -2.410 -7.616 1.00 0.00 O ATOM 0 H SER A 57 -5.378 -3.860 -6.668 1.00 0.00 H new ATOM 0 HA SER A 57 -3.536 -5.730 -7.908 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.471 -3.653 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.193 -3.721 -9.113 1.00 0.00 H new ATOM 0 HG SER A 57 -3.542 -1.659 -8.239 1.00 0.00 H new ATOM 889 N ILE A 58 -2.466 -3.940 -5.359 1.00 0.00 N ATOM 890 CA ILE A 58 -1.387 -3.942 -4.333 1.00 0.00 C ATOM 891 C ILE A 58 -1.341 -5.324 -3.690 1.00 0.00 C ATOM 892 O ILE A 58 -0.336 -6.006 -3.669 1.00 0.00 O ATOM 893 CB ILE A 58 -1.699 -2.900 -3.237 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.449 -1.484 -3.783 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.799 -3.151 -2.008 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.919 -0.440 -2.760 1.00 0.00 C ATOM 0 H ILE A 58 -3.193 -3.237 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.434 -3.698 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.744 -2.992 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.388 -1.348 -3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.981 -1.349 -4.725 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.022 -2.414 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.986 -4.152 -1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.248 -3.065 -2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.739 0.561 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.985 -0.570 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.367 -0.569 -1.829 1.00 0.00 H new ATOM 908 N LEU A 59 -2.462 -5.707 -3.158 1.00 0.00 N ATOM 909 CA LEU A 59 -2.598 -7.016 -2.479 1.00 0.00 C ATOM 910 C LEU A 59 -2.240 -8.135 -3.454 1.00 0.00 C ATOM 911 O LEU A 59 -1.884 -9.219 -3.042 1.00 0.00 O ATOM 912 CB LEU A 59 -4.052 -7.153 -2.004 1.00 0.00 C ATOM 913 CG LEU A 59 -4.316 -8.553 -1.431 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.288 -8.872 -0.333 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.737 -8.609 -0.834 1.00 0.00 C ATOM 0 H LEU A 59 -3.315 -5.148 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.925 -7.083 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.262 -6.400 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.729 -6.964 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.227 -9.287 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.482 -9.867 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.283 -8.840 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.369 -8.136 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.922 -9.603 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.827 -7.870 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.468 -8.394 -1.613 1.00 0.00 H new ATOM 927 N SER A 60 -2.352 -7.927 -4.739 1.00 0.00 N ATOM 928 CA SER A 60 -2.034 -9.052 -5.671 1.00 0.00 C ATOM 929 C SER A 60 -0.514 -9.156 -5.878 1.00 0.00 C ATOM 930 O SER A 60 0.034 -10.231 -6.019 1.00 0.00 O ATOM 931 CB SER A 60 -2.720 -8.803 -7.008 1.00 0.00 C ATOM 932 OG SER A 60 -4.110 -9.074 -6.881 1.00 0.00 O ATOM 0 H SER A 60 -2.642 -7.052 -5.177 1.00 0.00 H new ATOM 0 HA SER A 60 -2.393 -9.988 -5.242 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.566 -7.771 -7.322 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.283 -9.439 -7.778 1.00 0.00 H new ATOM 0 HG SER A 60 -4.610 -8.231 -6.888 1.00 0.00 H new ATOM 938 N ILE A 61 0.160 -8.034 -5.902 1.00 0.00 N ATOM 939 CA ILE A 61 1.643 -8.036 -6.104 1.00 0.00 C ATOM 940 C ILE A 61 2.344 -8.626 -4.876 1.00 0.00 C ATOM 941 O ILE A 61 3.238 -9.442 -4.988 1.00 0.00 O ATOM 942 CB ILE A 61 2.129 -6.588 -6.303 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.192 -5.832 -7.306 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.583 -6.622 -6.793 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.980 -5.151 -8.436 1.00 0.00 C ATOM 0 H ILE A 61 -0.256 -7.109 -5.790 1.00 0.00 H new ATOM 0 HA ILE A 61 1.879 -8.640 -6.980 1.00 0.00 H new ATOM 0 HB ILE A 61 2.090 -6.043 -5.360 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.479 -6.536 -7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.614 -5.082 -6.766 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.942 -5.603 -6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.205 -7.123 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.636 -7.164 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.288 -4.640 -9.106 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.674 -4.427 -8.010 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.538 -5.903 -8.995 1.00 0.00 H new ATOM 957 N LEU A 62 1.957 -8.196 -3.708 1.00 0.00 N ATOM 958 CA LEU A 62 2.603 -8.694 -2.460 1.00 0.00 C ATOM 959 C LEU A 62 2.719 -10.223 -2.480 1.00 0.00 C ATOM 960 O LEU A 62 3.661 -10.788 -1.961 1.00 0.00 O ATOM 961 CB LEU A 62 1.743 -8.269 -1.263 1.00 0.00 C ATOM 962 CG LEU A 62 1.987 -6.773 -0.936 1.00 0.00 C ATOM 963 CD1 LEU A 62 0.674 -6.115 -0.494 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.019 -6.648 0.191 1.00 0.00 C ATOM 0 H LEU A 62 1.213 -7.514 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 62 3.605 -8.273 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.689 -8.433 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.985 -8.883 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 62 2.361 -6.273 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.852 -5.064 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.060 -6.193 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.295 -6.620 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.186 -5.595 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.648 -7.155 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.957 -7.105 -0.123 1.00 0.00 H new ATOM 976 N LEU A 63 1.759 -10.896 -3.052 1.00 0.00 N ATOM 977 CA LEU A 63 1.805 -12.383 -3.076 1.00 0.00 C ATOM 978 C LEU A 63 2.796 -12.876 -4.131 1.00 0.00 C ATOM 979 O LEU A 63 3.173 -14.032 -4.135 1.00 0.00 O ATOM 980 CB LEU A 63 0.405 -12.936 -3.354 1.00 0.00 C ATOM 981 CG LEU A 63 -0.611 -12.241 -2.439 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.983 -12.903 -2.601 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.158 -12.354 -0.977 1.00 0.00 C ATOM 0 H LEU A 63 0.945 -10.479 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 63 2.143 -12.742 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.140 -12.774 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.387 -14.012 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.679 -11.188 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.705 -12.409 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.309 -12.815 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.913 -13.957 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.884 -11.859 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.084 -13.405 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.816 -11.878 -0.860 1.00 0.00 H new ATOM 995 N GLU A 64 3.229 -12.027 -5.028 1.00 0.00 N ATOM 996 CA GLU A 64 4.198 -12.488 -6.067 1.00 0.00 C ATOM 997 C GLU A 64 5.618 -12.371 -5.506 1.00 0.00 C ATOM 998 O GLU A 64 6.581 -12.212 -6.229 1.00 0.00 O ATOM 999 CB GLU A 64 4.052 -11.652 -7.342 1.00 0.00 C ATOM 1000 CG GLU A 64 2.830 -12.114 -8.138 1.00 0.00 C ATOM 1001 CD GLU A 64 2.810 -11.409 -9.495 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.473 -11.889 -10.400 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.132 -10.401 -9.607 1.00 0.00 O ATOM 0 H GLU A 64 2.957 -11.046 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 64 3.993 -13.527 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.951 -10.598 -7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.950 -11.746 -7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.861 -13.195 -8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.917 -11.890 -7.586 1.00 0.00 H new ATOM 1010 N GLU A 65 5.737 -12.503 -4.213 1.00 0.00 N ATOM 1011 CA GLU A 65 7.080 -12.464 -3.563 1.00 0.00 C ATOM 1012 C GLU A 65 7.912 -11.261 -4.024 1.00 0.00 C ATOM 1013 O GLU A 65 9.126 -11.311 -4.066 1.00 0.00 O ATOM 1014 CB GLU A 65 7.833 -13.729 -3.981 1.00 0.00 C ATOM 1015 CG GLU A 65 7.162 -14.955 -3.359 1.00 0.00 C ATOM 1016 CD GLU A 65 7.819 -16.226 -3.902 1.00 0.00 C ATOM 1017 OE1 GLU A 65 7.454 -16.639 -4.990 1.00 0.00 O ATOM 1018 OE2 GLU A 65 8.676 -16.765 -3.220 1.00 0.00 O ATOM 0 H GLU A 65 4.955 -12.637 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 65 6.936 -12.391 -2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.840 -13.818 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.873 -13.669 -3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.253 -14.921 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.097 -14.956 -3.590 1.00 0.00 H new ATOM 1025 N VAL A 66 7.264 -10.170 -4.340 1.00 0.00 N ATOM 1026 CA VAL A 66 7.997 -8.935 -4.766 1.00 0.00 C ATOM 1027 C VAL A 66 8.260 -8.075 -3.516 1.00 0.00 C ATOM 1028 O VAL A 66 7.457 -8.037 -2.603 1.00 0.00 O ATOM 1029 CB VAL A 66 7.113 -8.173 -5.779 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.384 -6.662 -5.731 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.394 -8.682 -7.200 1.00 0.00 C ATOM 0 H VAL A 66 6.248 -10.079 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 66 8.949 -9.178 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 66 6.071 -8.351 -5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.746 -6.155 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.168 -6.285 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.430 -6.472 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.768 -8.142 -7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.444 -8.519 -7.444 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.170 -9.747 -7.256 1.00 0.00 H new ATOM 1041 N SER A 67 9.375 -7.390 -3.463 1.00 0.00 N ATOM 1042 CA SER A 67 9.671 -6.544 -2.266 1.00 0.00 C ATOM 1043 C SER A 67 8.506 -5.547 -2.043 1.00 0.00 C ATOM 1044 O SER A 67 7.938 -5.068 -3.004 1.00 0.00 O ATOM 1045 CB SER A 67 10.978 -5.778 -2.496 1.00 0.00 C ATOM 1046 OG SER A 67 11.557 -5.447 -1.239 1.00 0.00 O ATOM 0 H SER A 67 10.089 -7.380 -4.191 1.00 0.00 H new ATOM 0 HA SER A 67 9.777 -7.176 -1.384 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.670 -6.385 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.786 -4.872 -3.071 1.00 0.00 H new ATOM 0 HG SER A 67 12.394 -4.958 -1.383 1.00 0.00 H new ATOM 1052 N PRO A 68 8.167 -5.258 -0.794 1.00 0.00 N ATOM 1053 CA PRO A 68 7.057 -4.322 -0.491 1.00 0.00 C ATOM 1054 C PRO A 68 7.295 -2.903 -1.057 1.00 0.00 C ATOM 1055 O PRO A 68 6.364 -2.234 -1.443 1.00 0.00 O ATOM 1056 CB PRO A 68 6.988 -4.276 1.057 1.00 0.00 C ATOM 1057 CG PRO A 68 8.141 -5.157 1.609 1.00 0.00 C ATOM 1058 CD PRO A 68 8.827 -5.831 0.406 1.00 0.00 C ATOM 0 HA PRO A 68 6.131 -4.664 -0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.086 -3.251 1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.024 -4.644 1.408 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.854 -4.550 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.754 -5.907 2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.898 -5.629 0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.707 -6.914 0.441 1.00 0.00 H new ATOM 1066 N GLU A 69 8.508 -2.414 -1.068 1.00 0.00 N ATOM 1067 CA GLU A 69 8.728 -1.016 -1.570 1.00 0.00 C ATOM 1068 C GLU A 69 8.743 -0.985 -3.108 1.00 0.00 C ATOM 1069 O GLU A 69 8.580 0.061 -3.725 1.00 0.00 O ATOM 1070 CB GLU A 69 10.054 -0.458 -0.999 1.00 0.00 C ATOM 1071 CG GLU A 69 11.004 -1.602 -0.626 1.00 0.00 C ATOM 1072 CD GLU A 69 12.350 -1.023 -0.188 1.00 0.00 C ATOM 1073 OE1 GLU A 69 12.343 -0.033 0.524 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.365 -1.580 -0.573 1.00 0.00 O ATOM 0 H GLU A 69 9.345 -2.908 -0.758 1.00 0.00 H new ATOM 0 HA GLU A 69 7.905 -0.387 -1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.529 0.191 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.849 0.153 -0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.574 -2.199 0.178 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.142 -2.267 -1.478 1.00 0.00 H new ATOM 1081 N LEU A 70 8.894 -2.110 -3.745 1.00 0.00 N ATOM 1082 CA LEU A 70 8.879 -2.094 -5.229 1.00 0.00 C ATOM 1083 C LEU A 70 7.431 -1.846 -5.664 1.00 0.00 C ATOM 1084 O LEU A 70 7.152 -1.536 -6.806 1.00 0.00 O ATOM 1085 CB LEU A 70 9.418 -3.421 -5.785 1.00 0.00 C ATOM 1086 CG LEU A 70 10.948 -3.462 -5.676 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.454 -4.865 -6.047 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.603 -2.416 -6.605 1.00 0.00 C ATOM 0 H LEU A 70 9.025 -3.024 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 70 9.524 -1.307 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.985 -4.256 -5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.118 -3.535 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 70 11.222 -3.227 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.541 -4.892 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.023 -5.599 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.158 -5.100 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.687 -2.469 -6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.323 -2.621 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.262 -1.419 -6.328 1.00 0.00 H new ATOM 1100 N VAL A 71 6.504 -2.010 -4.750 1.00 0.00 N ATOM 1101 CA VAL A 71 5.065 -1.816 -5.092 1.00 0.00 C ATOM 1102 C VAL A 71 4.799 -0.356 -5.462 1.00 0.00 C ATOM 1103 O VAL A 71 4.256 -0.078 -6.510 1.00 0.00 O ATOM 1104 CB VAL A 71 4.175 -2.244 -3.896 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.791 -1.551 -3.930 1.00 0.00 C ATOM 1106 CG2 VAL A 71 3.987 -3.765 -3.921 1.00 0.00 C ATOM 0 H VAL A 71 6.686 -2.270 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 71 4.819 -2.438 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 71 4.677 -1.939 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.199 -1.878 -3.075 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.924 -0.470 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.274 -1.816 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.362 -4.068 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.507 -4.057 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.959 -4.253 -3.845 1.00 0.00 H new ATOM 1116 N CYS A 72 5.121 0.581 -4.622 1.00 0.00 N ATOM 1117 CA CYS A 72 4.801 1.984 -4.982 1.00 0.00 C ATOM 1118 C CYS A 72 5.602 2.409 -6.226 1.00 0.00 C ATOM 1119 O CYS A 72 5.183 3.259 -6.985 1.00 0.00 O ATOM 1120 CB CYS A 72 5.136 2.906 -3.800 1.00 0.00 C ATOM 1121 SG CYS A 72 4.330 2.315 -2.302 1.00 0.00 S ATOM 0 H CYS A 72 5.581 0.443 -3.722 1.00 0.00 H new ATOM 0 HA CYS A 72 3.738 2.061 -5.209 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.215 2.941 -3.651 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.811 3.923 -4.019 1.00 0.00 H new ATOM 1126 N SER A 73 6.752 1.810 -6.437 1.00 0.00 N ATOM 1127 CA SER A 73 7.573 2.176 -7.637 1.00 0.00 C ATOM 1128 C SER A 73 7.012 1.523 -8.923 1.00 0.00 C ATOM 1129 O SER A 73 6.998 2.138 -9.971 1.00 0.00 O ATOM 1130 CB SER A 73 9.019 1.733 -7.426 1.00 0.00 C ATOM 1131 OG SER A 73 9.415 2.039 -6.095 1.00 0.00 O ATOM 0 H SER A 73 7.154 1.090 -5.836 1.00 0.00 H new ATOM 0 HA SER A 73 7.531 3.258 -7.759 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.114 0.663 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.673 2.237 -8.137 1.00 0.00 H new ATOM 0 HG SER A 73 9.098 1.336 -5.490 1.00 0.00 H new ATOM 1137 N MET A 74 6.557 0.296 -8.868 1.00 0.00 N ATOM 1138 CA MET A 74 6.012 -0.367 -10.108 1.00 0.00 C ATOM 1139 C MET A 74 4.643 0.232 -10.495 1.00 0.00 C ATOM 1140 O MET A 74 4.360 0.418 -11.662 1.00 0.00 O ATOM 1141 CB MET A 74 5.856 -1.897 -9.859 1.00 0.00 C ATOM 1142 CG MET A 74 7.031 -2.695 -10.460 1.00 0.00 C ATOM 1143 SD MET A 74 6.545 -4.432 -10.662 1.00 0.00 S ATOM 1144 CE MET A 74 5.740 -4.673 -9.057 1.00 0.00 C ATOM 0 H MET A 74 6.536 -0.278 -8.025 1.00 0.00 H new ATOM 0 HA MET A 74 6.712 -0.194 -10.926 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.797 -2.087 -8.787 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.919 -2.243 -10.296 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.316 -2.272 -11.423 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.903 -2.624 -9.810 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.719 -5.736 -8.816 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.295 -4.137 -8.287 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.720 -4.291 -9.101 1.00 0.00 H new ATOM 1154 N LEU A 75 3.786 0.507 -9.554 1.00 0.00 N ATOM 1155 CA LEU A 75 2.443 1.056 -9.922 1.00 0.00 C ATOM 1156 C LEU A 75 2.563 2.515 -10.396 1.00 0.00 C ATOM 1157 O LEU A 75 1.588 3.238 -10.449 1.00 0.00 O ATOM 1158 CB LEU A 75 1.500 0.973 -8.711 1.00 0.00 C ATOM 1159 CG LEU A 75 1.449 -0.467 -8.165 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.370 -0.573 -7.084 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.132 -1.458 -9.297 1.00 0.00 C ATOM 0 H LEU A 75 3.950 0.379 -8.555 1.00 0.00 H new ATOM 0 HA LEU A 75 2.035 0.462 -10.740 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.841 1.653 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.499 1.295 -8.999 1.00 0.00 H new ATOM 0 HG LEU A 75 2.422 -0.712 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.338 -1.593 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.602 0.113 -6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.599 -0.315 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.099 -2.471 -8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.166 -1.211 -9.737 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.906 -1.396 -10.062 1.00 0.00 H new ATOM 1173 N HIS A 76 3.746 2.955 -10.738 1.00 0.00 N ATOM 1174 CA HIS A 76 3.920 4.369 -11.204 1.00 0.00 C ATOM 1175 C HIS A 76 3.185 5.308 -10.239 1.00 0.00 C ATOM 1176 O HIS A 76 2.864 6.427 -10.586 1.00 0.00 O ATOM 1177 CB HIS A 76 3.368 4.525 -12.628 1.00 0.00 C ATOM 1178 CG HIS A 76 4.164 3.659 -13.566 1.00 0.00 C ATOM 1179 ND1 HIS A 76 3.826 3.513 -14.902 1.00 0.00 N ATOM 1180 CD2 HIS A 76 5.284 2.889 -13.375 1.00 0.00 C ATOM 1181 CE1 HIS A 76 4.727 2.684 -15.459 1.00 0.00 C ATOM 1182 NE2 HIS A 76 5.637 2.273 -14.572 1.00 0.00 N ATOM 0 H HIS A 76 4.601 2.399 -10.716 1.00 0.00 H new ATOM 0 HA HIS A 76 4.980 4.624 -11.218 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.316 4.241 -12.656 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.425 5.568 -12.940 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.811 2.778 -12.439 1.00 0.00 H new ATOM 0 HE1 HIS A 76 4.716 2.387 -16.497 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.422 1.643 -14.737 1.00 0.00 H new ATOM 1190 N LEU A 77 2.900 4.875 -9.047 1.00 0.00 N ATOM 1191 CA LEU A 77 2.171 5.753 -8.092 1.00 0.00 C ATOM 1192 C LEU A 77 3.149 6.765 -7.472 1.00 0.00 C ATOM 1193 O LEU A 77 2.730 7.707 -6.831 1.00 0.00 O ATOM 1194 CB LEU A 77 1.507 4.858 -7.009 1.00 0.00 C ATOM 1195 CG LEU A 77 -0.001 5.157 -6.850 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.744 5.147 -8.212 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.627 4.112 -5.915 1.00 0.00 C ATOM 0 H LEU A 77 3.140 3.950 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 77 1.392 6.319 -8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.642 3.809 -7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.009 5.013 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.102 6.157 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.801 5.362 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.315 5.906 -8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.640 4.166 -8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.691 4.318 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.494 3.117 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.141 4.158 -4.941 1.00 0.00 H new ATOM 1209 N CYS A 78 4.440 6.588 -7.657 1.00 0.00 N ATOM 1210 CA CYS A 78 5.427 7.560 -7.074 1.00 0.00 C ATOM 1211 C CYS A 78 6.401 8.040 -8.165 1.00 0.00 C ATOM 1212 O CYS A 78 7.574 7.724 -8.143 1.00 0.00 O ATOM 1213 CB CYS A 78 6.201 6.886 -5.943 1.00 0.00 C ATOM 1214 SG CYS A 78 6.687 8.123 -4.715 1.00 0.00 S ATOM 0 H CYS A 78 4.851 5.817 -8.183 1.00 0.00 H new ATOM 0 HA CYS A 78 4.891 8.422 -6.678 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.585 6.118 -5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.085 6.388 -6.341 1.00 0.00 H new ATOM 1219 N SER A 79 5.968 8.930 -9.017 1.00 0.00 N ATOM 1220 CA SER A 79 6.938 9.553 -9.964 1.00 0.00 C ATOM 1221 C SER A 79 6.182 10.427 -10.974 1.00 0.00 C ATOM 1222 O SER A 79 6.587 10.573 -12.111 1.00 0.00 O ATOM 1223 CB SER A 79 7.831 8.503 -10.641 1.00 0.00 C ATOM 1224 OG SER A 79 9.027 8.349 -9.886 1.00 0.00 O ATOM 0 H SER A 79 5.002 9.249 -9.099 1.00 0.00 H new ATOM 0 HA SER A 79 7.616 10.196 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.305 7.551 -10.710 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.067 8.811 -11.660 1.00 0.00 H new ATOM 0 HG SER A 79 8.806 8.280 -8.934 1.00 0.00 H new ATOM 1230 N GLY A 80 5.085 11.006 -10.569 1.00 0.00 N ATOM 1231 CA GLY A 80 4.308 11.867 -11.506 1.00 0.00 C ATOM 1232 C GLY A 80 5.102 13.135 -11.821 1.00 0.00 C ATOM 1233 O GLY A 80 6.317 13.143 -11.785 1.00 0.00 O ATOM 0 H GLY A 80 4.693 10.921 -9.631 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.096 11.321 -12.426 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.347 12.129 -11.062 1.00 0.00 H new ATOM 1237 N LEU A 81 4.427 14.209 -12.129 1.00 0.00 N ATOM 1238 CA LEU A 81 5.145 15.475 -12.446 1.00 0.00 C ATOM 1239 C LEU A 81 5.801 16.020 -11.175 1.00 0.00 C ATOM 1240 O LEU A 81 5.417 17.053 -10.661 1.00 0.00 O ATOM 1241 CB LEU A 81 4.149 16.504 -12.992 1.00 0.00 C ATOM 1242 CG LEU A 81 3.210 15.829 -13.993 1.00 0.00 C ATOM 1243 CD1 LEU A 81 2.283 16.879 -14.610 1.00 0.00 C ATOM 1244 CD2 LEU A 81 4.032 15.163 -15.101 1.00 0.00 C ATOM 0 H LEU A 81 3.409 14.264 -12.175 1.00 0.00 H new ATOM 0 HA LEU A 81 5.912 15.281 -13.196 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.574 16.938 -12.174 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.684 17.322 -13.474 1.00 0.00 H new ATOM 0 HG LEU A 81 2.616 15.074 -13.478 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.613 16.399 -15.324 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.696 17.353 -13.824 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.879 17.634 -15.123 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.361 14.683 -15.813 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.628 15.917 -15.615 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.693 14.415 -14.664 1.00 0.00 H new ATOM 1256 N VAL A 82 6.789 15.327 -10.663 1.00 0.00 N ATOM 1257 CA VAL A 82 7.486 15.786 -9.417 1.00 0.00 C ATOM 1258 C VAL A 82 9.017 15.687 -9.624 1.00 0.00 C ATOM 1259 O VAL A 82 9.571 14.618 -9.460 1.00 0.00 O ATOM 1260 CB VAL A 82 7.069 14.864 -8.256 1.00 0.00 C ATOM 1261 CG1 VAL A 82 5.740 15.342 -7.662 1.00 0.00 C ATOM 1262 CG2 VAL A 82 6.897 13.433 -8.776 1.00 0.00 C ATOM 0 H VAL A 82 7.146 14.456 -11.057 1.00 0.00 H new ATOM 0 HA VAL A 82 7.216 16.818 -9.193 1.00 0.00 H new ATOM 0 HB VAL A 82 7.841 14.889 -7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.451 14.685 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.853 16.360 -7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.969 15.321 -8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.602 12.780 -7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.127 13.416 -9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.840 13.083 -9.197 1.00 0.00 H new ATOM 1272 N PRO A 83 9.677 16.779 -9.984 1.00 0.00 N ATOM 1273 CA PRO A 83 11.136 16.739 -10.204 1.00 0.00 C ATOM 1274 C PRO A 83 11.851 16.415 -8.884 1.00 0.00 C ATOM 1275 O PRO A 83 13.062 16.325 -8.827 1.00 0.00 O ATOM 1276 CB PRO A 83 11.506 18.152 -10.720 1.00 0.00 C ATOM 1277 CG PRO A 83 10.194 18.990 -10.764 1.00 0.00 C ATOM 1278 CD PRO A 83 9.058 18.109 -10.199 1.00 0.00 C ATOM 0 HA PRO A 83 11.436 15.971 -10.917 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.239 18.621 -10.063 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.957 18.093 -11.710 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.301 19.901 -10.175 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.969 19.296 -11.786 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.667 18.518 -9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.222 18.048 -10.896 1.00 0.00 H new ATOM 1286 N ARG A 84 11.108 16.239 -7.826 1.00 0.00 N ATOM 1287 CA ARG A 84 11.741 15.921 -6.515 1.00 0.00 C ATOM 1288 C ARG A 84 12.881 16.905 -6.244 1.00 0.00 C ATOM 1289 O ARG A 84 12.621 17.929 -5.636 1.00 0.00 O ATOM 1290 CB ARG A 84 12.294 14.494 -6.548 1.00 0.00 C ATOM 1291 CG ARG A 84 12.823 14.120 -5.161 1.00 0.00 C ATOM 1292 CD ARG A 84 13.351 12.683 -5.180 1.00 0.00 C ATOM 1293 NE ARG A 84 12.355 11.778 -5.848 1.00 0.00 N ATOM 1294 CZ ARG A 84 11.127 11.671 -5.417 1.00 0.00 C ATOM 1295 NH1 ARG A 84 10.771 12.212 -4.284 1.00 0.00 N ATOM 1296 NH2 ARG A 84 10.261 10.971 -6.098 1.00 0.00 N ATOM 1297 OXT ARG A 84 13.995 16.616 -6.650 1.00 0.00 O ATOM 0 H ARG A 84 10.090 16.302 -7.813 1.00 0.00 H new ATOM 0 HA ARG A 84 10.996 16.004 -5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.513 13.797 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.093 14.419 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.618 14.806 -4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.029 14.216 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.303 12.644 -5.710 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.539 12.342 -4.162 1.00 0.00 H new ATOM 0 HE ARG A 84 12.646 11.233 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.454 12.724 -3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.809 12.123 -3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.545 10.510 -6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.301 10.884 -5.765 1.00 0.00 H new TER 1311 ARG A 84