USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 536 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -1.37 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.112 (180deg=-0.627) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.226 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= -1.45 (180deg=-2.32!) USER MOD Single : A 30 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.025) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0272 (180deg=-0.309) USER MOD Single : A 35 ASN : amide:sc= -0.626! X(o=-0.63!,f=-0.31) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= -0.0214 (180deg=-0.19) USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= -1.58! (180deg=-5.54!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -2.38! C(o=-2.4!,f=-7.3!) USER MOD Single : A 53 TYR OH : rot -160:sc= 0.699 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.122) USER MOD Single : A 58 THR OG1 : rot -60:sc= 0.762 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0497) USER MOD Single : A 66 LYS NZ :NH3+ 162:sc= 1.15 (180deg=-0.227!) USER MOD Single : A 68 ASN : amide:sc= 1.14 K(o=1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 -6.269 -9.251 5.886 1.00 0.00 N ATOM 2 CA LYS A 3 -6.513 -8.459 4.691 1.00 0.00 C ATOM 3 C LYS A 3 -7.684 -7.525 4.957 1.00 0.00 C ATOM 4 O LYS A 3 -8.849 -7.909 4.828 1.00 0.00 O ATOM 5 CB LYS A 3 -6.800 -9.370 3.493 1.00 0.00 C ATOM 6 CG LYS A 3 -5.669 -10.335 3.182 1.00 0.00 C ATOM 7 CD LYS A 3 -5.976 -11.188 1.964 1.00 0.00 C ATOM 8 CE LYS A 3 -4.846 -12.160 1.667 1.00 0.00 C ATOM 9 NZ LYS A 3 -5.097 -12.946 0.429 1.00 0.00 N ATOM 0 HA LYS A 3 -5.628 -7.870 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.709 -9.939 3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.993 -8.753 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.750 -9.775 3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.494 -10.980 4.043 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.900 -11.742 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.141 -10.545 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.912 -11.609 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.722 -12.840 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.302 -13.596 0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.975 -13.493 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.189 -12.299 -0.380 1.00 0.00 H new ATOM 23 N LYS A 4 -7.362 -6.306 5.348 1.00 0.00 N ATOM 24 CA LYS A 4 -8.348 -5.383 5.877 1.00 0.00 C ATOM 25 C LYS A 4 -8.170 -4.006 5.266 1.00 0.00 C ATOM 26 O LYS A 4 -7.054 -3.473 5.235 1.00 0.00 O ATOM 27 CB LYS A 4 -8.176 -5.305 7.393 1.00 0.00 C ATOM 28 CG LYS A 4 -9.209 -4.465 8.125 1.00 0.00 C ATOM 29 CD LYS A 4 -8.919 -4.458 9.619 1.00 0.00 C ATOM 30 CE LYS A 4 -9.914 -3.612 10.395 1.00 0.00 C ATOM 31 NZ LYS A 4 -9.641 -3.650 11.859 1.00 0.00 N ATOM 0 H LYS A 4 -6.415 -5.930 5.308 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.349 -5.738 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.203 -6.317 7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.186 -4.902 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.198 -3.445 7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.207 -4.863 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.943 -5.480 9.996 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.912 -4.078 9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.869 -2.582 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.925 -3.971 10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.339 -3.062 12.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.708 -4.630 12.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.685 -3.284 12.043 1.00 0.00 H new ATOM 45 N SER A 5 -9.267 -3.430 4.795 1.00 0.00 N ATOM 46 CA SER A 5 -9.230 -2.099 4.218 1.00 0.00 C ATOM 47 C SER A 5 -8.878 -1.107 5.307 1.00 0.00 C ATOM 48 O SER A 5 -9.579 -0.993 6.316 1.00 0.00 O ATOM 49 CB SER A 5 -10.568 -1.734 3.585 1.00 0.00 C ATOM 50 OG SER A 5 -11.000 -2.717 2.655 1.00 0.00 O ATOM 0 H SER A 5 -10.190 -3.864 4.802 1.00 0.00 H new ATOM 0 HA SER A 5 -8.477 -2.073 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.319 -1.618 4.366 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.481 -0.771 3.081 1.00 0.00 H new ATOM 0 HG SER A 5 -11.861 -2.449 2.272 1.00 0.00 H new ATOM 56 N ARG A 6 -7.789 -0.400 5.106 1.00 0.00 N ATOM 57 CA ARG A 6 -7.208 0.404 6.162 1.00 0.00 C ATOM 58 C ARG A 6 -6.662 1.711 5.628 1.00 0.00 C ATOM 59 O ARG A 6 -6.750 1.989 4.438 1.00 0.00 O ATOM 60 CB ARG A 6 -6.102 -0.384 6.847 1.00 0.00 C ATOM 61 CG ARG A 6 -4.883 -0.630 5.976 1.00 0.00 C ATOM 62 CD ARG A 6 -3.875 -1.524 6.680 1.00 0.00 C ATOM 63 NE ARG A 6 -4.442 -2.832 7.023 1.00 0.00 N ATOM 64 CZ ARG A 6 -4.166 -3.489 8.154 1.00 0.00 C ATOM 65 NH1 ARG A 6 -3.383 -2.933 9.072 1.00 0.00 N ATOM 66 NH2 ARG A 6 -4.673 -4.700 8.363 1.00 0.00 N ATOM 0 H ARG A 6 -7.285 -0.364 4.220 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.991 0.643 6.882 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.792 0.152 7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.503 -1.344 7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.190 -1.093 5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.415 0.322 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.005 -1.664 6.038 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.526 -1.031 7.588 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.084 -3.266 6.360 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.992 -2.004 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.173 -3.435 9.935 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.274 -5.130 7.660 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.461 -5.200 9.227 1.00 0.00 H new ATOM 80 N LEU A 7 -6.094 2.489 6.525 1.00 0.00 N ATOM 81 CA LEU A 7 -5.608 3.817 6.209 1.00 0.00 C ATOM 82 C LEU A 7 -4.176 3.735 5.682 1.00 0.00 C ATOM 83 O LEU A 7 -3.228 3.543 6.450 1.00 0.00 O ATOM 84 CB LEU A 7 -5.690 4.695 7.470 1.00 0.00 C ATOM 85 CG LEU A 7 -5.663 6.215 7.259 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.282 6.690 6.845 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.701 6.630 6.229 1.00 0.00 C ATOM 0 H LEU A 7 -5.955 2.218 7.498 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.224 4.266 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.608 4.442 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.860 4.428 8.124 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.908 6.688 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.296 7.771 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.561 6.435 7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.995 6.206 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.667 7.711 6.093 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.489 6.138 5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.693 6.339 6.575 1.00 0.00 H new ATOM 99 N TRP A 8 -4.037 3.864 4.372 1.00 0.00 N ATOM 100 CA TRP A 8 -2.734 3.854 3.724 1.00 0.00 C ATOM 101 C TRP A 8 -2.212 5.275 3.611 1.00 0.00 C ATOM 102 O TRP A 8 -2.989 6.212 3.410 1.00 0.00 O ATOM 103 CB TRP A 8 -2.825 3.232 2.324 1.00 0.00 C ATOM 104 CG TRP A 8 -3.248 1.793 2.316 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.452 1.293 2.707 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.474 0.672 1.871 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.473 -0.071 2.552 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.270 -0.476 2.036 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.183 0.528 1.353 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -2.817 -1.751 1.701 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.736 -0.737 1.018 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.549 -1.861 1.194 1.00 0.00 C ATOM 0 H TRP A 8 -4.821 3.978 3.729 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.053 3.254 4.328 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.531 3.810 1.727 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.853 3.316 1.838 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.273 1.884 3.085 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.256 -0.683 2.783 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.546 1.390 1.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.443 -2.621 1.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.258 -0.859 0.614 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.170 -2.836 0.925 1.00 0.00 H new ATOM 123 N VAL A 9 -0.908 5.431 3.747 1.00 0.00 N ATOM 124 CA VAL A 9 -0.276 6.742 3.692 1.00 0.00 C ATOM 125 C VAL A 9 0.896 6.708 2.719 1.00 0.00 C ATOM 126 O VAL A 9 1.560 5.682 2.582 1.00 0.00 O ATOM 127 CB VAL A 9 0.241 7.166 5.091 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.907 8.531 5.045 1.00 0.00 C ATOM 129 CG2 VAL A 9 -0.884 7.164 6.113 1.00 0.00 C ATOM 0 H VAL A 9 -0.258 4.659 3.898 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.020 7.464 3.357 1.00 0.00 H new ATOM 0 HB VAL A 9 0.988 6.433 5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.258 8.798 6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.753 8.500 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.188 9.275 4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.493 7.465 7.085 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.660 7.863 5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.307 6.162 6.187 1.00 0.00 H new ATOM 139 N ASP A 10 1.142 7.807 2.021 1.00 0.00 N ATOM 140 CA ASP A 10 2.329 7.896 1.182 1.00 0.00 C ATOM 141 C ASP A 10 3.491 8.459 1.998 1.00 0.00 C ATOM 142 O ASP A 10 3.287 9.095 3.031 1.00 0.00 O ATOM 143 CB ASP A 10 2.063 8.761 -0.051 1.00 0.00 C ATOM 144 CG ASP A 10 2.236 10.240 0.205 1.00 0.00 C ATOM 145 OD1 ASP A 10 1.351 10.849 0.834 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.266 10.791 -0.233 1.00 0.00 O ATOM 0 H ASP A 10 0.548 8.636 2.017 1.00 0.00 H new ATOM 0 HA ASP A 10 2.590 6.897 0.834 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.738 8.457 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.048 8.577 -0.403 1.00 0.00 H new ATOM 151 N ARG A 11 4.710 8.220 1.527 1.00 0.00 N ATOM 152 CA ARG A 11 5.912 8.536 2.293 1.00 0.00 C ATOM 153 C ARG A 11 6.125 10.037 2.456 1.00 0.00 C ATOM 154 O ARG A 11 6.889 10.460 3.321 1.00 0.00 O ATOM 155 CB ARG A 11 7.139 7.908 1.637 1.00 0.00 C ATOM 156 CG ARG A 11 7.776 6.811 2.475 1.00 0.00 C ATOM 157 CD ARG A 11 8.312 7.348 3.792 1.00 0.00 C ATOM 158 NE ARG A 11 9.293 8.411 3.584 1.00 0.00 N ATOM 159 CZ ARG A 11 10.180 8.803 4.499 1.00 0.00 C ATOM 160 NH1 ARG A 11 10.221 8.220 5.691 1.00 0.00 N ATOM 161 NH2 ARG A 11 11.030 9.779 4.218 1.00 0.00 N ATOM 0 H ARG A 11 4.893 7.806 0.613 1.00 0.00 H new ATOM 0 HA ARG A 11 5.771 8.117 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.854 7.496 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.879 8.686 1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.041 6.031 2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.588 6.349 1.913 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.486 7.728 4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.770 6.536 4.357 1.00 0.00 H new ATOM 0 HE ARG A 11 9.300 8.884 2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.571 7.466 5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.903 8.526 6.385 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.005 10.229 3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.709 10.080 4.917 1.00 0.00 H new ATOM 175 N SER A 12 5.463 10.837 1.636 1.00 0.00 N ATOM 176 CA SER A 12 5.572 12.279 1.748 1.00 0.00 C ATOM 177 C SER A 12 4.560 12.798 2.765 1.00 0.00 C ATOM 178 O SER A 12 4.627 13.948 3.207 1.00 0.00 O ATOM 179 CB SER A 12 5.350 12.941 0.385 1.00 0.00 C ATOM 180 OG SER A 12 5.658 14.327 0.421 1.00 0.00 O ATOM 0 H SER A 12 4.848 10.513 0.890 1.00 0.00 H new ATOM 0 HA SER A 12 6.576 12.531 2.090 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.970 12.449 -0.364 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.313 12.806 0.079 1.00 0.00 H new ATOM 0 HG SER A 12 5.507 14.719 -0.465 1.00 0.00 H new ATOM 186 N GLY A 13 3.633 11.921 3.142 1.00 0.00 N ATOM 187 CA GLY A 13 2.612 12.267 4.107 1.00 0.00 C ATOM 188 C GLY A 13 1.610 13.244 3.544 1.00 0.00 C ATOM 189 O GLY A 13 1.143 14.140 4.247 1.00 0.00 O ATOM 0 H GLY A 13 3.574 10.966 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.095 11.363 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.081 12.698 4.992 1.00 0.00 H new ATOM 193 N THR A 14 1.277 13.072 2.274 1.00 0.00 N ATOM 194 CA THR A 14 0.369 13.977 1.597 1.00 0.00 C ATOM 195 C THR A 14 -1.024 13.369 1.480 1.00 0.00 C ATOM 196 O THR A 14 -2.027 14.056 1.695 1.00 0.00 O ATOM 197 CB THR A 14 0.886 14.334 0.194 1.00 0.00 C ATOM 198 OG1 THR A 14 2.266 14.710 0.265 1.00 0.00 O ATOM 199 CG2 THR A 14 0.083 15.480 -0.405 1.00 0.00 C ATOM 0 H THR A 14 1.625 12.310 1.692 1.00 0.00 H new ATOM 0 HA THR A 14 0.313 14.885 2.197 1.00 0.00 H new ATOM 0 HB THR A 14 0.774 13.457 -0.443 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.590 14.935 -0.632 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.468 15.714 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.965 15.189 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.170 16.358 0.234 1.00 0.00 H new ATOM 207 N PHE A 15 -1.104 12.084 1.150 1.00 0.00 N ATOM 208 CA PHE A 15 -2.404 11.451 1.013 1.00 0.00 C ATOM 209 C PHE A 15 -2.544 10.215 1.880 1.00 0.00 C ATOM 210 O PHE A 15 -1.623 9.410 2.016 1.00 0.00 O ATOM 211 CB PHE A 15 -2.764 11.148 -0.451 1.00 0.00 C ATOM 212 CG PHE A 15 -1.782 10.304 -1.218 1.00 0.00 C ATOM 213 CD1 PHE A 15 -1.775 8.918 -1.099 1.00 0.00 C ATOM 214 CD2 PHE A 15 -0.886 10.899 -2.091 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.891 8.153 -1.830 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.004 10.136 -2.827 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.006 8.760 -2.695 1.00 0.00 C ATOM 0 H PHE A 15 -0.304 11.476 0.977 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.126 12.183 1.376 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.732 10.648 -0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.885 12.095 -0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.469 8.436 -0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.878 11.974 -2.197 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.892 7.078 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.688 10.613 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.685 8.161 -3.269 1.00 0.00 H new ATOM 227 N LYS A 16 -3.715 10.113 2.484 1.00 0.00 N ATOM 228 CA LYS A 16 -4.078 8.987 3.313 1.00 0.00 C ATOM 229 C LYS A 16 -5.488 8.544 2.956 1.00 0.00 C ATOM 230 O LYS A 16 -6.397 9.370 2.840 1.00 0.00 O ATOM 231 CB LYS A 16 -3.987 9.369 4.789 1.00 0.00 C ATOM 232 CG LYS A 16 -4.907 10.516 5.189 1.00 0.00 C ATOM 233 CD LYS A 16 -4.534 11.103 6.539 1.00 0.00 C ATOM 234 CE LYS A 16 -3.274 11.950 6.446 1.00 0.00 C ATOM 235 NZ LYS A 16 -3.455 13.113 5.534 1.00 0.00 N ATOM 0 H LYS A 16 -4.446 10.820 2.409 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.389 8.161 3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.227 8.496 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.958 9.644 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.863 11.297 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.937 10.160 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.357 11.712 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.381 10.298 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.001 12.306 7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.448 11.334 6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.758 13.849 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.319 12.807 4.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.415 13.497 5.647 1.00 0.00 H new ATOM 249 N VAL A 17 -5.664 7.253 2.762 1.00 0.00 N ATOM 250 CA VAL A 17 -6.949 6.722 2.315 1.00 0.00 C ATOM 251 C VAL A 17 -7.214 5.333 2.851 1.00 0.00 C ATOM 252 O VAL A 17 -6.289 4.584 3.152 1.00 0.00 O ATOM 253 CB VAL A 17 -7.058 6.674 0.776 1.00 0.00 C ATOM 254 CG1 VAL A 17 -7.562 7.997 0.239 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.723 6.307 0.141 1.00 0.00 C ATOM 0 H VAL A 17 -4.940 6.549 2.904 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.695 7.411 2.711 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.776 5.898 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.633 7.945 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.546 8.208 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.870 8.791 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.831 6.281 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.974 7.050 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.408 5.327 0.498 1.00 0.00 H new ATOM 265 N ASP A 18 -8.491 4.996 2.946 1.00 0.00 N ATOM 266 CA ASP A 18 -8.904 3.674 3.400 1.00 0.00 C ATOM 267 C ASP A 18 -9.090 2.771 2.201 1.00 0.00 C ATOM 268 O ASP A 18 -9.869 3.086 1.296 1.00 0.00 O ATOM 269 CB ASP A 18 -10.214 3.719 4.187 1.00 0.00 C ATOM 270 CG ASP A 18 -10.204 4.721 5.321 1.00 0.00 C ATOM 271 OD1 ASP A 18 -9.683 4.398 6.411 1.00 0.00 O ATOM 272 OD2 ASP A 18 -10.752 5.830 5.136 1.00 0.00 O ATOM 0 H ASP A 18 -9.263 5.621 2.714 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.124 3.294 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.030 3.962 3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.420 2.728 4.591 1.00 0.00 H new ATOM 277 N ALA A 19 -8.389 1.654 2.197 1.00 0.00 N ATOM 278 CA ALA A 19 -8.407 0.754 1.055 1.00 0.00 C ATOM 279 C ALA A 19 -7.848 -0.608 1.421 1.00 0.00 C ATOM 280 O ALA A 19 -7.108 -0.744 2.397 1.00 0.00 O ATOM 281 CB ALA A 19 -7.607 1.353 -0.093 1.00 0.00 C ATOM 0 H ALA A 19 -7.799 1.346 2.970 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.443 0.623 0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.626 0.672 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.045 2.308 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.576 1.508 0.224 1.00 0.00 H new ATOM 287 N GLU A 20 -8.230 -1.616 0.655 1.00 0.00 N ATOM 288 CA GLU A 20 -7.666 -2.946 0.812 1.00 0.00 C ATOM 289 C GLU A 20 -6.761 -3.240 -0.379 1.00 0.00 C ATOM 290 O GLU A 20 -7.029 -2.787 -1.498 1.00 0.00 O ATOM 291 CB GLU A 20 -8.773 -3.998 0.899 1.00 0.00 C ATOM 292 CG GLU A 20 -8.551 -5.049 1.984 1.00 0.00 C ATOM 293 CD GLU A 20 -7.362 -5.952 1.727 1.00 0.00 C ATOM 294 OE1 GLU A 20 -6.224 -5.569 2.081 1.00 0.00 O ATOM 295 OE2 GLU A 20 -7.566 -7.056 1.176 1.00 0.00 O ATOM 0 H GLU A 20 -8.930 -1.538 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.090 -2.984 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.723 -3.496 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.860 -4.499 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.413 -4.546 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.448 -5.662 2.072 1.00 0.00 H new ATOM 302 N PHE A 21 -5.702 -3.993 -0.143 1.00 0.00 N ATOM 303 CA PHE A 21 -4.759 -4.339 -1.194 1.00 0.00 C ATOM 304 C PHE A 21 -5.343 -5.426 -2.079 1.00 0.00 C ATOM 305 O PHE A 21 -5.873 -6.422 -1.594 1.00 0.00 O ATOM 306 CB PHE A 21 -3.440 -4.813 -0.585 1.00 0.00 C ATOM 307 CG PHE A 21 -2.466 -5.366 -1.585 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.658 -4.530 -2.335 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.356 -6.733 -1.766 1.00 0.00 C ATOM 310 CE1 PHE A 21 -0.764 -5.047 -3.243 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.465 -7.255 -2.674 1.00 0.00 C ATOM 312 CZ PHE A 21 -0.667 -6.412 -3.414 1.00 0.00 C ATOM 0 H PHE A 21 -5.472 -4.379 0.773 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.568 -3.453 -1.800 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.973 -3.978 -0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.651 -5.578 0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.730 -3.460 -2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.978 -7.399 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.138 -4.384 -3.822 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.391 -8.324 -2.806 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.034 -6.819 -4.128 1.00 0.00 H new ATOM 322 N ILE A 22 -5.253 -5.227 -3.376 1.00 0.00 N ATOM 323 CA ILE A 22 -5.781 -6.191 -4.320 1.00 0.00 C ATOM 324 C ILE A 22 -4.646 -6.868 -5.081 1.00 0.00 C ATOM 325 O ILE A 22 -4.611 -8.092 -5.211 1.00 0.00 O ATOM 326 CB ILE A 22 -6.743 -5.539 -5.336 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.186 -4.151 -4.875 1.00 0.00 C ATOM 328 CG2 ILE A 22 -7.968 -6.416 -5.534 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.074 -3.445 -5.877 1.00 0.00 C ATOM 0 H ILE A 22 -4.820 -4.408 -3.802 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.337 -6.928 -3.741 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.206 -5.435 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.719 -4.242 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.304 -3.539 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.640 -5.946 -6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.660 -7.392 -5.909 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.484 -6.540 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.353 -2.465 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.536 -3.323 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.973 -4.037 -6.047 1.00 0.00 H new ATOM 341 N GLY A 23 -3.708 -6.062 -5.566 1.00 0.00 N ATOM 342 CA GLY A 23 -2.594 -6.588 -6.330 1.00 0.00 C ATOM 343 C GLY A 23 -1.492 -5.562 -6.504 1.00 0.00 C ATOM 344 O GLY A 23 -1.760 -4.364 -6.552 1.00 0.00 O ATOM 0 H GLY A 23 -3.700 -5.050 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.194 -7.469 -5.828 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.946 -6.912 -7.309 1.00 0.00 H new ATOM 348 N CYS A 24 -0.256 -6.024 -6.573 1.00 0.00 N ATOM 349 CA CYS A 24 0.881 -5.133 -6.750 1.00 0.00 C ATOM 350 C CYS A 24 1.664 -5.520 -7.994 1.00 0.00 C ATOM 351 O CYS A 24 2.051 -6.678 -8.161 1.00 0.00 O ATOM 352 CB CYS A 24 1.776 -5.159 -5.503 1.00 0.00 C ATOM 353 SG CYS A 24 3.415 -4.422 -5.729 1.00 0.00 S ATOM 0 H CYS A 24 -0.012 -7.012 -6.509 1.00 0.00 H new ATOM 0 HA CYS A 24 0.516 -4.115 -6.883 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.265 -4.634 -4.696 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.899 -6.194 -5.183 1.00 0.00 H new ATOM 0 HG CYS A 24 4.082 -4.497 -4.615 1.00 0.00 H new ATOM 359 N ALA A 25 1.883 -4.552 -8.871 1.00 0.00 N ATOM 360 CA ALA A 25 2.550 -4.808 -10.138 1.00 0.00 C ATOM 361 C ALA A 25 3.243 -3.554 -10.639 1.00 0.00 C ATOM 362 O ALA A 25 2.726 -2.450 -10.472 1.00 0.00 O ATOM 363 CB ALA A 25 1.551 -5.313 -11.174 1.00 0.00 C ATOM 0 H ALA A 25 1.608 -3.580 -8.728 1.00 0.00 H new ATOM 0 HA ALA A 25 3.304 -5.579 -9.979 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.067 -5.500 -12.116 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.096 -6.238 -10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.775 -4.563 -11.327 1.00 0.00 H new ATOM 369 N LYS A 26 4.425 -3.734 -11.229 1.00 0.00 N ATOM 370 CA LYS A 26 5.201 -2.632 -11.803 1.00 0.00 C ATOM 371 C LYS A 26 5.487 -1.546 -10.765 1.00 0.00 C ATOM 372 O LYS A 26 5.566 -0.363 -11.095 1.00 0.00 O ATOM 373 CB LYS A 26 4.477 -2.032 -13.016 1.00 0.00 C ATOM 374 CG LYS A 26 4.243 -3.024 -14.149 1.00 0.00 C ATOM 375 CD LYS A 26 5.551 -3.566 -14.710 1.00 0.00 C ATOM 376 CE LYS A 26 6.387 -2.471 -15.353 1.00 0.00 C ATOM 377 NZ LYS A 26 7.628 -3.007 -15.974 1.00 0.00 N ATOM 0 H LYS A 26 4.872 -4.646 -11.323 1.00 0.00 H new ATOM 0 HA LYS A 26 6.156 -3.041 -12.132 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.516 -1.632 -12.692 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.060 -1.193 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.633 -3.852 -13.787 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.680 -2.538 -14.946 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.122 -4.037 -13.910 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.337 -4.340 -15.447 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.794 -1.961 -16.112 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.650 -1.727 -14.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.168 -2.227 -16.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.208 -3.472 -15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.377 -3.698 -16.710 1.00 0.00 H new ATOM 391 N GLY A 27 5.632 -1.959 -9.511 1.00 0.00 N ATOM 392 CA GLY A 27 5.930 -1.021 -8.448 1.00 0.00 C ATOM 393 C GLY A 27 4.706 -0.255 -7.986 1.00 0.00 C ATOM 394 O GLY A 27 4.817 0.694 -7.215 1.00 0.00 O ATOM 0 H GLY A 27 5.548 -2.931 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.357 -1.560 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.687 -0.316 -8.792 1.00 0.00 H new ATOM 398 N LYS A 28 3.537 -0.663 -8.453 1.00 0.00 N ATOM 399 CA LYS A 28 2.299 0.004 -8.088 1.00 0.00 C ATOM 400 C LYS A 28 1.466 -0.872 -7.177 1.00 0.00 C ATOM 401 O LYS A 28 1.441 -2.095 -7.321 1.00 0.00 O ATOM 402 CB LYS A 28 1.467 0.324 -9.318 1.00 0.00 C ATOM 403 CG LYS A 28 2.146 1.212 -10.336 1.00 0.00 C ATOM 404 CD LYS A 28 2.362 2.616 -9.805 1.00 0.00 C ATOM 405 CE LYS A 28 2.960 3.518 -10.870 1.00 0.00 C ATOM 406 NZ LYS A 28 3.455 4.798 -10.303 1.00 0.00 N ATOM 0 H LYS A 28 3.420 -1.454 -9.086 1.00 0.00 H new ATOM 0 HA LYS A 28 2.573 0.926 -7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.188 -0.612 -9.803 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.543 0.805 -8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.106 0.777 -10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.541 1.255 -11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.412 3.030 -9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.023 2.583 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.781 2.999 -11.365 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.209 3.726 -11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.505 5.515 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.805 5.122 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.402 4.655 -9.898 1.00 0.00 H new ATOM 420 N ILE A 29 0.764 -0.230 -6.270 1.00 0.00 N ATOM 421 CA ILE A 29 -0.147 -0.910 -5.371 1.00 0.00 C ATOM 422 C ILE A 29 -1.578 -0.653 -5.810 1.00 0.00 C ATOM 423 O ILE A 29 -2.053 0.484 -5.773 1.00 0.00 O ATOM 424 CB ILE A 29 0.016 -0.424 -3.913 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.477 -0.504 -3.475 1.00 0.00 C ATOM 426 CG2 ILE A 29 -0.861 -1.239 -2.977 1.00 0.00 C ATOM 427 CD1 ILE A 29 2.072 -1.893 -3.564 1.00 0.00 C ATOM 0 H ILE A 29 0.807 0.780 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 29 0.086 -1.974 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.300 0.618 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.068 0.173 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.557 -0.151 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.733 -0.882 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.905 -1.131 -3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.575 -2.289 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.111 -1.865 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.508 -2.572 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.026 -2.243 -4.595 1.00 0.00 H new ATOM 439 N HIS A 30 -2.252 -1.699 -6.257 1.00 0.00 N ATOM 440 CA HIS A 30 -3.651 -1.583 -6.631 1.00 0.00 C ATOM 441 C HIS A 30 -4.484 -1.688 -5.374 1.00 0.00 C ATOM 442 O HIS A 30 -4.418 -2.694 -4.659 1.00 0.00 O ATOM 443 CB HIS A 30 -4.094 -2.677 -7.611 1.00 0.00 C ATOM 444 CG HIS A 30 -3.235 -2.839 -8.831 1.00 0.00 C ATOM 445 ND1 HIS A 30 -3.460 -3.823 -9.767 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.143 -2.159 -9.261 1.00 0.00 C ATOM 447 CE1 HIS A 30 -2.546 -3.747 -10.715 1.00 0.00 C ATOM 448 NE2 HIS A 30 -1.736 -2.746 -10.432 1.00 0.00 N ATOM 0 H HIS A 30 -1.856 -2.632 -6.369 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.788 -0.624 -7.131 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.121 -3.628 -7.079 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.113 -2.462 -7.932 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.681 -1.314 -8.773 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -2.474 -4.394 -11.576 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.936 -2.455 -10.993 1.00 0.00 H new ATOM 457 N LEU A 31 -5.252 -0.661 -5.103 1.00 0.00 N ATOM 458 CA LEU A 31 -6.022 -0.596 -3.878 1.00 0.00 C ATOM 459 C LEU A 31 -7.501 -0.435 -4.168 1.00 0.00 C ATOM 460 O LEU A 31 -7.895 0.286 -5.086 1.00 0.00 O ATOM 461 CB LEU A 31 -5.543 0.564 -3.003 1.00 0.00 C ATOM 462 CG LEU A 31 -4.118 0.434 -2.465 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.710 1.696 -1.716 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.013 -0.783 -1.561 1.00 0.00 C ATOM 0 H LEU A 31 -5.363 0.147 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.872 -1.535 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.612 1.486 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.224 0.665 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.437 0.305 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.693 1.584 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.755 2.551 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.389 1.858 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.995 -0.868 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.704 -0.676 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.266 -1.680 -2.127 1.00 0.00 H new ATOM 476 N HIS A 32 -8.308 -1.124 -3.385 1.00 0.00 N ATOM 477 CA HIS A 32 -9.747 -0.984 -3.464 1.00 0.00 C ATOM 478 C HIS A 32 -10.215 -0.068 -2.345 1.00 0.00 C ATOM 479 O HIS A 32 -10.257 -0.465 -1.181 1.00 0.00 O ATOM 480 CB HIS A 32 -10.438 -2.355 -3.391 1.00 0.00 C ATOM 481 CG HIS A 32 -11.934 -2.274 -3.374 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.694 -2.616 -2.279 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.810 -1.892 -4.333 1.00 0.00 C ATOM 484 CE1 HIS A 32 -13.971 -2.446 -2.561 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.071 -2.007 -3.803 1.00 0.00 N ATOM 0 H HIS A 32 -7.988 -1.791 -2.683 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.017 -0.542 -4.423 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.125 -2.956 -4.245 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.101 -2.875 -2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.563 -1.559 -5.330 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.796 -2.634 -1.890 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.942 -1.789 -4.288 1.00 0.00 H new ATOM 494 N LYS A 33 -10.533 1.166 -2.714 1.00 0.00 N ATOM 495 CA LYS A 33 -10.933 2.192 -1.760 1.00 0.00 C ATOM 496 C LYS A 33 -12.197 1.777 -1.026 1.00 0.00 C ATOM 497 O LYS A 33 -13.008 1.015 -1.555 1.00 0.00 O ATOM 498 CB LYS A 33 -11.203 3.513 -2.492 1.00 0.00 C ATOM 499 CG LYS A 33 -10.067 3.973 -3.389 1.00 0.00 C ATOM 500 CD LYS A 33 -8.874 4.462 -2.588 1.00 0.00 C ATOM 501 CE LYS A 33 -9.156 5.798 -1.921 1.00 0.00 C ATOM 502 NZ LYS A 33 -9.371 6.892 -2.907 1.00 0.00 N ATOM 0 H LYS A 33 -10.521 1.484 -3.683 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.122 2.321 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.105 3.403 -3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.405 4.289 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.758 3.150 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.420 4.773 -4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.617 3.723 -1.829 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.009 4.558 -3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.038 5.705 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.322 6.059 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.256 7.812 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.676 6.808 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.332 6.822 -3.299 1.00 0.00 H new ATOM 516 N ALA A 34 -12.368 2.298 0.184 1.00 0.00 N ATOM 517 CA ALA A 34 -13.610 2.122 0.925 1.00 0.00 C ATOM 518 C ALA A 34 -14.746 2.811 0.178 1.00 0.00 C ATOM 519 O ALA A 34 -15.921 2.491 0.361 1.00 0.00 O ATOM 520 CB ALA A 34 -13.478 2.682 2.334 1.00 0.00 C ATOM 0 H ALA A 34 -11.660 2.847 0.673 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.829 1.058 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.416 2.541 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.677 2.161 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.246 3.746 2.282 1.00 0.00 H new ATOM 526 N ASN A 35 -14.362 3.763 -0.666 1.00 0.00 N ATOM 527 CA ASN A 35 -15.276 4.436 -1.581 1.00 0.00 C ATOM 528 C ASN A 35 -15.853 3.425 -2.572 1.00 0.00 C ATOM 529 O ASN A 35 -17.002 3.538 -2.995 1.00 0.00 O ATOM 530 CB ASN A 35 -14.498 5.535 -2.324 1.00 0.00 C ATOM 531 CG ASN A 35 -15.352 6.532 -3.102 1.00 0.00 C ATOM 532 OD1 ASN A 35 -14.971 7.696 -3.225 1.00 0.00 O ATOM 533 ND2 ASN A 35 -16.482 6.104 -3.644 1.00 0.00 N ATOM 0 H ASN A 35 -13.399 4.092 -0.734 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.103 4.883 -1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.898 6.085 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.804 5.059 -3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -17.065 6.745 -4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.770 5.133 -3.523 1.00 0.00 H new ATOM 540 N GLY A 36 -15.051 2.422 -2.919 1.00 0.00 N ATOM 541 CA GLY A 36 -15.471 1.433 -3.893 1.00 0.00 C ATOM 542 C GLY A 36 -14.687 1.531 -5.187 1.00 0.00 C ATOM 543 O GLY A 36 -14.876 0.731 -6.103 1.00 0.00 O ATOM 0 H GLY A 36 -14.115 2.278 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.348 0.436 -3.471 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.533 1.561 -4.103 1.00 0.00 H new ATOM 547 N VAL A 37 -13.797 2.512 -5.257 1.00 0.00 N ATOM 548 CA VAL A 37 -13.005 2.752 -6.458 1.00 0.00 C ATOM 549 C VAL A 37 -11.680 1.995 -6.388 1.00 0.00 C ATOM 550 O VAL A 37 -11.154 1.751 -5.303 1.00 0.00 O ATOM 551 CB VAL A 37 -12.722 4.261 -6.637 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.079 4.551 -7.983 1.00 0.00 C ATOM 553 CG2 VAL A 37 -13.999 5.068 -6.471 1.00 0.00 C ATOM 0 H VAL A 37 -13.604 3.158 -4.492 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.580 2.394 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.017 4.560 -5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.894 5.621 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.135 4.012 -8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.746 4.228 -8.782 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.779 6.128 -6.601 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.727 4.754 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.408 4.901 -5.474 1.00 0.00 H new ATOM 563 N LYS A 38 -11.154 1.609 -7.543 1.00 0.00 N ATOM 564 CA LYS A 38 -9.863 0.938 -7.616 1.00 0.00 C ATOM 565 C LYS A 38 -8.796 1.934 -8.057 1.00 0.00 C ATOM 566 O LYS A 38 -8.932 2.580 -9.096 1.00 0.00 O ATOM 567 CB LYS A 38 -9.935 -0.240 -8.596 1.00 0.00 C ATOM 568 CG LYS A 38 -8.769 -1.223 -8.508 1.00 0.00 C ATOM 569 CD LYS A 38 -7.542 -0.743 -9.273 1.00 0.00 C ATOM 570 CE LYS A 38 -7.829 -0.586 -10.761 1.00 0.00 C ATOM 571 NZ LYS A 38 -8.245 -1.866 -11.396 1.00 0.00 N ATOM 0 H LYS A 38 -11.605 1.750 -8.447 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.601 0.550 -6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.863 -0.784 -8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.983 0.154 -9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.504 -1.375 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.083 -2.190 -8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.209 0.211 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.726 -1.452 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.614 0.158 -10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.938 -0.207 -11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.248 -1.755 -12.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.578 -2.618 -11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.200 -2.120 -11.072 1.00 0.00 H new ATOM 585 N ILE A 39 -7.738 2.049 -7.270 1.00 0.00 N ATOM 586 CA ILE A 39 -6.676 3.012 -7.547 1.00 0.00 C ATOM 587 C ILE A 39 -5.333 2.307 -7.709 1.00 0.00 C ATOM 588 O ILE A 39 -5.183 1.142 -7.328 1.00 0.00 O ATOM 589 CB ILE A 39 -6.550 4.064 -6.418 1.00 0.00 C ATOM 590 CG1 ILE A 39 -5.938 3.443 -5.156 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.910 4.672 -6.105 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.766 4.425 -4.015 1.00 0.00 C ATOM 0 H ILE A 39 -7.589 1.487 -6.432 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.944 3.517 -8.475 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.885 4.855 -6.764 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.571 2.620 -4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.967 3.017 -5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.804 5.410 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.307 5.156 -6.998 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.594 3.887 -5.783 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.328 3.914 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.108 5.236 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.738 4.833 -3.737 1.00 0.00 H new ATOM 604 N ALA A 40 -4.363 3.011 -8.281 1.00 0.00 N ATOM 605 CA ALA A 40 -3.004 2.496 -8.393 1.00 0.00 C ATOM 606 C ALA A 40 -2.012 3.495 -7.814 1.00 0.00 C ATOM 607 O ALA A 40 -1.708 4.516 -8.434 1.00 0.00 O ATOM 608 CB ALA A 40 -2.655 2.193 -9.842 1.00 0.00 C ATOM 0 H ALA A 40 -4.493 3.943 -8.675 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.945 1.567 -7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.636 1.810 -9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.345 1.446 -10.234 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.733 3.105 -10.433 1.00 0.00 H new ATOM 614 N VAL A 41 -1.521 3.208 -6.624 1.00 0.00 N ATOM 615 CA VAL A 41 -0.561 4.080 -5.966 1.00 0.00 C ATOM 616 C VAL A 41 0.800 3.406 -5.917 1.00 0.00 C ATOM 617 O VAL A 41 0.914 2.268 -5.475 1.00 0.00 O ATOM 618 CB VAL A 41 -1.010 4.437 -4.534 1.00 0.00 C ATOM 619 CG1 VAL A 41 0.029 5.297 -3.842 1.00 0.00 C ATOM 620 CG2 VAL A 41 -2.352 5.147 -4.556 1.00 0.00 C ATOM 0 H VAL A 41 -1.771 2.376 -6.090 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.498 5.002 -6.543 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.117 3.509 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.310 5.536 -2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.973 4.755 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.172 6.219 -4.405 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.652 5.390 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.269 6.064 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.100 4.496 -5.009 1.00 0.00 H new ATOM 630 N ALA A 42 1.822 4.100 -6.398 1.00 0.00 N ATOM 631 CA ALA A 42 3.173 3.562 -6.418 1.00 0.00 C ATOM 632 C ALA A 42 3.629 3.141 -5.033 1.00 0.00 C ATOM 633 O ALA A 42 3.618 3.937 -4.092 1.00 0.00 O ATOM 634 CB ALA A 42 4.134 4.586 -6.977 1.00 0.00 C ATOM 0 H ALA A 42 1.739 5.042 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 42 3.165 2.679 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.142 4.172 -6.987 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.838 4.846 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.115 5.480 -6.354 1.00 0.00 H new ATOM 640 N ALA A 43 4.036 1.885 -4.935 1.00 0.00 N ATOM 641 CA ALA A 43 4.542 1.317 -3.686 1.00 0.00 C ATOM 642 C ALA A 43 5.792 2.048 -3.225 1.00 0.00 C ATOM 643 O ALA A 43 6.070 2.157 -2.033 1.00 0.00 O ATOM 644 CB ALA A 43 4.869 -0.155 -3.873 1.00 0.00 C ATOM 0 H ALA A 43 4.027 1.228 -5.715 1.00 0.00 H new ATOM 0 HA ALA A 43 3.765 1.429 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.245 -0.566 -2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.969 -0.693 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.629 -0.263 -4.647 1.00 0.00 H new ATOM 650 N ASP A 44 6.529 2.551 -4.194 1.00 0.00 N ATOM 651 CA ASP A 44 7.829 3.165 -3.942 1.00 0.00 C ATOM 652 C ASP A 44 7.717 4.478 -3.181 1.00 0.00 C ATOM 653 O ASP A 44 8.608 4.826 -2.407 1.00 0.00 O ATOM 654 CB ASP A 44 8.596 3.398 -5.247 1.00 0.00 C ATOM 655 CG ASP A 44 7.832 4.231 -6.257 1.00 0.00 C ATOM 656 OD1 ASP A 44 7.910 5.477 -6.198 1.00 0.00 O ATOM 657 OD2 ASP A 44 7.166 3.641 -7.128 1.00 0.00 O ATOM 0 H ASP A 44 6.251 2.549 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 44 8.379 2.460 -3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.541 3.892 -5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.840 2.434 -5.693 1.00 0.00 H new ATOM 662 N LYS A 45 6.649 5.222 -3.403 1.00 0.00 N ATOM 663 CA LYS A 45 6.483 6.495 -2.720 1.00 0.00 C ATOM 664 C LYS A 45 5.471 6.356 -1.594 1.00 0.00 C ATOM 665 O LYS A 45 4.965 7.346 -1.061 1.00 0.00 O ATOM 666 CB LYS A 45 6.083 7.599 -3.714 1.00 0.00 C ATOM 667 CG LYS A 45 4.841 7.303 -4.554 1.00 0.00 C ATOM 668 CD LYS A 45 3.541 7.478 -3.775 1.00 0.00 C ATOM 669 CE LYS A 45 3.204 8.945 -3.506 1.00 0.00 C ATOM 670 NZ LYS A 45 4.187 9.623 -2.615 1.00 0.00 N ATOM 0 H LYS A 45 5.893 4.973 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 45 7.436 6.788 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.914 8.521 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.921 7.781 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.830 7.962 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.898 6.282 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.724 7.019 -4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.617 6.948 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.156 9.479 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.213 9.006 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.690 10.298 -2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.672 8.913 -2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.886 10.131 -3.193 1.00 0.00 H new ATOM 684 N LEU A 46 5.187 5.117 -1.242 1.00 0.00 N ATOM 685 CA LEU A 46 4.199 4.809 -0.226 1.00 0.00 C ATOM 686 C LEU A 46 4.876 4.616 1.130 1.00 0.00 C ATOM 687 O LEU A 46 6.098 4.495 1.202 1.00 0.00 O ATOM 688 CB LEU A 46 3.473 3.545 -0.648 1.00 0.00 C ATOM 689 CG LEU A 46 2.048 3.383 -0.137 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.185 4.579 -0.531 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.487 2.099 -0.707 1.00 0.00 C ATOM 0 H LEU A 46 5.634 4.297 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 46 3.489 5.630 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.452 3.510 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.056 2.687 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 46 2.048 3.337 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.172 4.437 -0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.607 5.489 -0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.158 4.666 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.465 1.960 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.491 2.152 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.100 1.258 -0.382 1.00 0.00 H new ATOM 703 N SER A 47 4.089 4.596 2.199 1.00 0.00 N ATOM 704 CA SER A 47 4.630 4.452 3.542 1.00 0.00 C ATOM 705 C SER A 47 5.149 3.038 3.773 1.00 0.00 C ATOM 706 O SER A 47 4.487 2.042 3.467 1.00 0.00 O ATOM 707 CB SER A 47 3.568 4.813 4.586 1.00 0.00 C ATOM 708 OG SER A 47 4.059 4.644 5.908 1.00 0.00 O ATOM 0 H SER A 47 3.073 4.678 2.160 1.00 0.00 H new ATOM 0 HA SER A 47 5.469 5.140 3.646 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.253 5.847 4.443 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.687 4.188 4.441 1.00 0.00 H new ATOM 0 HG SER A 47 3.359 4.884 6.550 1.00 0.00 H new ATOM 714 N ASN A 48 6.361 2.985 4.321 1.00 0.00 N ATOM 715 CA ASN A 48 7.072 1.739 4.599 1.00 0.00 C ATOM 716 C ASN A 48 6.199 0.771 5.375 1.00 0.00 C ATOM 717 O ASN A 48 6.260 -0.438 5.167 1.00 0.00 O ATOM 718 CB ASN A 48 8.312 2.018 5.441 1.00 0.00 C ATOM 719 CG ASN A 48 9.280 3.021 4.827 1.00 0.00 C ATOM 720 OD1 ASN A 48 8.893 3.924 4.088 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.556 2.873 5.145 1.00 0.00 N ATOM 0 H ASN A 48 6.884 3.819 4.588 1.00 0.00 H new ATOM 0 HA ASN A 48 7.345 1.302 3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.997 2.387 6.417 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.840 1.079 5.610 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.252 3.519 4.774 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.843 2.113 5.761 1.00 0.00 H new ATOM 728 N GLU A 49 5.418 1.322 6.297 1.00 0.00 N ATOM 729 CA GLU A 49 4.494 0.560 7.103 1.00 0.00 C ATOM 730 C GLU A 49 3.544 -0.226 6.208 1.00 0.00 C ATOM 731 O GLU A 49 3.374 -1.444 6.355 1.00 0.00 O ATOM 732 CB GLU A 49 3.715 1.545 7.962 1.00 0.00 C ATOM 733 CG GLU A 49 3.532 1.110 9.394 1.00 0.00 C ATOM 734 CD GLU A 49 2.600 -0.070 9.536 1.00 0.00 C ATOM 735 OE1 GLU A 49 1.373 0.107 9.385 1.00 0.00 O ATOM 736 OE2 GLU A 49 3.089 -1.188 9.802 1.00 0.00 O ATOM 0 H GLU A 49 5.414 2.321 6.502 1.00 0.00 H new ATOM 0 HA GLU A 49 5.029 -0.152 7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.229 2.506 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.734 1.703 7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.503 0.852 9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.143 1.946 9.975 1.00 0.00 H new ATOM 743 N ASP A 50 2.965 0.478 5.250 1.00 0.00 N ATOM 744 CA ASP A 50 2.015 -0.086 4.352 1.00 0.00 C ATOM 745 C ASP A 50 2.675 -1.107 3.440 1.00 0.00 C ATOM 746 O ASP A 50 2.054 -2.109 3.083 1.00 0.00 O ATOM 747 CB ASP A 50 1.378 1.039 3.556 1.00 0.00 C ATOM 748 CG ASP A 50 0.548 1.960 4.430 1.00 0.00 C ATOM 749 OD1 ASP A 50 -0.197 1.454 5.298 1.00 0.00 O ATOM 750 OD2 ASP A 50 0.653 3.196 4.271 1.00 0.00 O ATOM 0 H ASP A 50 3.154 1.467 5.086 1.00 0.00 H new ATOM 0 HA ASP A 50 1.242 -0.613 4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.157 1.617 3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.747 0.617 2.774 1.00 0.00 H new ATOM 755 N LEU A 51 3.951 -0.889 3.090 1.00 0.00 N ATOM 756 CA LEU A 51 4.655 -1.862 2.274 1.00 0.00 C ATOM 757 C LEU A 51 4.916 -3.120 3.079 1.00 0.00 C ATOM 758 O LEU A 51 4.757 -4.220 2.570 1.00 0.00 O ATOM 759 CB LEU A 51 5.978 -1.309 1.723 1.00 0.00 C ATOM 760 CG LEU A 51 5.867 -0.267 0.601 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.466 -0.239 0.005 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.273 1.108 1.103 1.00 0.00 C ATOM 0 H LEU A 51 4.496 -0.068 3.355 1.00 0.00 H new ATOM 0 HA LEU A 51 4.018 -2.095 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.533 -0.864 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.571 -2.146 1.355 1.00 0.00 H new ATOM 0 HG LEU A 51 6.555 -0.557 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.422 0.509 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.227 -1.219 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.745 0.012 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.187 1.831 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.619 1.403 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.304 1.077 1.454 1.00 0.00 H new ATOM 774 N ALA A 52 5.275 -2.956 4.348 1.00 0.00 N ATOM 775 CA ALA A 52 5.528 -4.100 5.213 1.00 0.00 C ATOM 776 C ALA A 52 4.263 -4.935 5.345 1.00 0.00 C ATOM 777 O ALA A 52 4.313 -6.160 5.470 1.00 0.00 O ATOM 778 CB ALA A 52 6.015 -3.644 6.580 1.00 0.00 C ATOM 0 H ALA A 52 5.396 -2.048 4.797 1.00 0.00 H new ATOM 0 HA ALA A 52 6.311 -4.713 4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.198 -4.514 7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.939 -3.078 6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.257 -3.013 7.044 1.00 0.00 H new ATOM 784 N TYR A 53 3.129 -4.249 5.297 1.00 0.00 N ATOM 785 CA TYR A 53 1.828 -4.899 5.342 1.00 0.00 C ATOM 786 C TYR A 53 1.570 -5.717 4.074 1.00 0.00 C ATOM 787 O TYR A 53 1.253 -6.910 4.145 1.00 0.00 O ATOM 788 CB TYR A 53 0.759 -3.818 5.517 1.00 0.00 C ATOM 789 CG TYR A 53 -0.663 -4.275 5.284 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.320 -5.090 6.192 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.348 -3.872 4.147 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.625 -5.491 5.972 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.650 -4.260 3.922 1.00 0.00 C ATOM 794 CZ TYR A 53 -3.287 -5.071 4.835 1.00 0.00 C ATOM 795 OH TYR A 53 -4.593 -5.457 4.623 1.00 0.00 O ATOM 0 H TYR A 53 3.086 -3.232 5.226 1.00 0.00 H new ATOM 0 HA TYR A 53 1.798 -5.595 6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.834 -3.416 6.527 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.977 -2.999 4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.806 -5.417 7.084 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.851 -3.242 3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.124 -6.130 6.686 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.169 -3.930 3.034 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.814 -5.356 3.674 1.00 0.00 H new ATOM 805 N VAL A 54 1.760 -5.102 2.914 1.00 0.00 N ATOM 806 CA VAL A 54 1.489 -5.778 1.647 1.00 0.00 C ATOM 807 C VAL A 54 2.487 -6.910 1.398 1.00 0.00 C ATOM 808 O VAL A 54 2.140 -7.941 0.802 1.00 0.00 O ATOM 809 CB VAL A 54 1.462 -4.782 0.468 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.523 -3.740 0.630 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.599 -5.488 -0.871 1.00 0.00 C ATOM 0 H VAL A 54 2.098 -4.144 2.821 1.00 0.00 H new ATOM 0 HA VAL A 54 0.497 -6.223 1.719 1.00 0.00 H new ATOM 0 HB VAL A 54 0.489 -4.290 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.486 -3.049 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.356 -3.192 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.501 -4.219 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.575 -4.752 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.545 -6.029 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.775 -6.190 -0.998 1.00 0.00 H new ATOM 821 N GLU A 55 3.714 -6.729 1.871 1.00 0.00 N ATOM 822 CA GLU A 55 4.691 -7.813 1.888 1.00 0.00 C ATOM 823 C GLU A 55 4.111 -9.043 2.570 1.00 0.00 C ATOM 824 O GLU A 55 4.381 -10.168 2.169 1.00 0.00 O ATOM 825 CB GLU A 55 5.967 -7.401 2.618 1.00 0.00 C ATOM 826 CG GLU A 55 6.680 -6.224 1.989 1.00 0.00 C ATOM 827 CD GLU A 55 8.038 -5.973 2.606 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.094 -5.468 3.742 1.00 0.00 O ATOM 829 OE2 GLU A 55 9.057 -6.276 1.953 1.00 0.00 O ATOM 0 H GLU A 55 4.056 -5.845 2.247 1.00 0.00 H new ATOM 0 HA GLU A 55 4.935 -8.044 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.720 -7.154 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.648 -8.252 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.797 -6.403 0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.065 -5.331 2.097 1.00 0.00 H new ATOM 836 N LYS A 56 3.297 -8.822 3.595 1.00 0.00 N ATOM 837 CA LYS A 56 2.695 -9.919 4.331 1.00 0.00 C ATOM 838 C LYS A 56 1.470 -10.446 3.602 1.00 0.00 C ATOM 839 O LYS A 56 1.150 -11.633 3.688 1.00 0.00 O ATOM 840 CB LYS A 56 2.334 -9.476 5.750 1.00 0.00 C ATOM 841 CG LYS A 56 3.544 -9.245 6.655 1.00 0.00 C ATOM 842 CD LYS A 56 4.245 -10.549 7.029 1.00 0.00 C ATOM 843 CE LYS A 56 5.032 -11.146 5.867 1.00 0.00 C ATOM 844 NZ LYS A 56 6.210 -10.318 5.493 1.00 0.00 N ATOM 0 H LYS A 56 3.041 -7.894 3.932 1.00 0.00 H new ATOM 0 HA LYS A 56 3.422 -10.728 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.753 -8.556 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.693 -10.232 6.204 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.251 -8.586 6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.224 -8.734 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.920 -10.367 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.503 -11.271 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.367 -12.148 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.376 -11.250 5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.821 -10.856 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.888 -9.449 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.745 -10.069 6.349 1.00 0.00 H new ATOM 858 N ILE A 57 0.796 -9.562 2.879 1.00 0.00 N ATOM 859 CA ILE A 57 -0.363 -9.953 2.081 1.00 0.00 C ATOM 860 C ILE A 57 0.043 -10.919 0.970 1.00 0.00 C ATOM 861 O ILE A 57 -0.676 -11.873 0.674 1.00 0.00 O ATOM 862 CB ILE A 57 -1.058 -8.736 1.423 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.260 -7.607 2.432 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.395 -9.143 0.815 1.00 0.00 C ATOM 865 CD1 ILE A 57 -1.996 -8.024 3.684 1.00 0.00 C ATOM 0 H ILE A 57 1.030 -8.570 2.827 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.058 -10.432 2.771 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.408 -8.372 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.286 -7.206 2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.811 -6.799 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.867 -8.273 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.232 -9.908 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.044 -9.539 1.596 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.099 -7.166 4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.985 -8.397 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.436 -8.810 4.190 1.00 0.00 H new ATOM 877 N THR A 58 1.202 -10.676 0.369 1.00 0.00 N ATOM 878 CA THR A 58 1.586 -11.401 -0.838 1.00 0.00 C ATOM 879 C THR A 58 2.830 -12.260 -0.656 1.00 0.00 C ATOM 880 O THR A 58 2.860 -13.424 -1.059 1.00 0.00 O ATOM 881 CB THR A 58 1.841 -10.423 -1.995 1.00 0.00 C ATOM 882 OG1 THR A 58 2.723 -9.375 -1.559 1.00 0.00 O ATOM 883 CG2 THR A 58 0.538 -9.830 -2.500 1.00 0.00 C ATOM 0 H THR A 58 1.885 -9.991 0.692 1.00 0.00 H new ATOM 0 HA THR A 58 0.749 -12.063 -1.063 1.00 0.00 H new ATOM 0 HB THR A 58 2.306 -10.970 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.309 -8.887 -0.817 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.745 -9.141 -3.319 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.112 -10.630 -2.854 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.045 -9.293 -1.690 1.00 0.00 H new ATOM 891 N GLY A 59 3.858 -11.685 -0.060 1.00 0.00 N ATOM 892 CA GLY A 59 5.129 -12.361 0.027 1.00 0.00 C ATOM 893 C GLY A 59 6.191 -11.657 -0.790 1.00 0.00 C ATOM 894 O GLY A 59 7.327 -12.122 -0.876 1.00 0.00 O ATOM 0 H GLY A 59 3.834 -10.759 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.445 -12.411 1.069 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.021 -13.388 -0.323 1.00 0.00 H new ATOM 898 N PHE A 60 5.817 -10.541 -1.408 1.00 0.00 N ATOM 899 CA PHE A 60 6.764 -9.739 -2.171 1.00 0.00 C ATOM 900 C PHE A 60 7.606 -8.891 -1.232 1.00 0.00 C ATOM 901 O PHE A 60 7.177 -8.567 -0.126 1.00 0.00 O ATOM 902 CB PHE A 60 6.043 -8.822 -3.163 1.00 0.00 C ATOM 903 CG PHE A 60 5.325 -9.546 -4.263 1.00 0.00 C ATOM 904 CD1 PHE A 60 5.965 -10.530 -5.000 1.00 0.00 C ATOM 905 CD2 PHE A 60 4.013 -9.230 -4.571 1.00 0.00 C ATOM 906 CE1 PHE A 60 5.307 -11.188 -6.021 1.00 0.00 C ATOM 907 CE2 PHE A 60 3.348 -9.885 -5.590 1.00 0.00 C ATOM 908 CZ PHE A 60 3.996 -10.864 -6.316 1.00 0.00 C ATOM 0 H PHE A 60 4.866 -10.173 -1.395 1.00 0.00 H new ATOM 0 HA PHE A 60 7.404 -10.423 -2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.325 -8.210 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.771 -8.142 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.990 -10.785 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.503 -8.462 -4.008 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.816 -11.954 -6.588 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.323 -9.631 -5.818 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.479 -11.376 -7.114 1.00 0.00 H new ATOM 918 N SER A 61 8.803 -8.544 -1.666 1.00 0.00 N ATOM 919 CA SER A 61 9.662 -7.678 -0.887 1.00 0.00 C ATOM 920 C SER A 61 9.544 -6.240 -1.377 1.00 0.00 C ATOM 921 O SER A 61 10.121 -5.868 -2.401 1.00 0.00 O ATOM 922 CB SER A 61 11.118 -8.146 -0.970 1.00 0.00 C ATOM 923 OG SER A 61 11.952 -7.379 -0.114 1.00 0.00 O ATOM 0 H SER A 61 9.201 -8.850 -2.554 1.00 0.00 H new ATOM 0 HA SER A 61 9.343 -7.723 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.181 -9.199 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.472 -8.063 -1.998 1.00 0.00 H new ATOM 0 HG SER A 61 12.876 -7.699 -0.185 1.00 0.00 H new ATOM 929 N LEU A 62 8.786 -5.430 -0.651 1.00 0.00 N ATOM 930 CA LEU A 62 8.674 -4.015 -0.972 1.00 0.00 C ATOM 931 C LEU A 62 9.611 -3.229 -0.075 1.00 0.00 C ATOM 932 O LEU A 62 9.466 -2.025 0.108 1.00 0.00 O ATOM 933 CB LEU A 62 7.231 -3.500 -0.837 1.00 0.00 C ATOM 934 CG LEU A 62 6.180 -4.329 -1.586 1.00 0.00 C ATOM 935 CD1 LEU A 62 4.848 -3.610 -1.596 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.627 -4.620 -3.011 1.00 0.00 C ATOM 0 H LEU A 62 8.243 -5.727 0.160 1.00 0.00 H new ATOM 0 HA LEU A 62 8.956 -3.877 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.967 -3.474 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.191 -2.473 -1.201 1.00 0.00 H new ATOM 0 HG LEU A 62 6.066 -5.278 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.114 -4.212 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.511 -3.454 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.959 -2.646 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.863 -5.209 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.776 -3.681 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.563 -5.179 -2.992 1.00 0.00 H new ATOM 948 N GLU A 63 10.585 -3.935 0.478 1.00 0.00 N ATOM 949 CA GLU A 63 11.604 -3.349 1.302 1.00 0.00 C ATOM 950 C GLU A 63 12.438 -2.378 0.484 1.00 0.00 C ATOM 951 O GLU A 63 12.783 -1.293 0.942 1.00 0.00 O ATOM 952 CB GLU A 63 12.461 -4.472 1.859 1.00 0.00 C ATOM 953 CG GLU A 63 13.572 -3.992 2.748 1.00 0.00 C ATOM 954 CD GLU A 63 13.060 -3.211 3.940 1.00 0.00 C ATOM 955 OE1 GLU A 63 12.142 -3.705 4.628 1.00 0.00 O ATOM 956 OE2 GLU A 63 13.572 -2.105 4.190 1.00 0.00 O ATOM 0 H GLU A 63 10.682 -4.943 0.359 1.00 0.00 H new ATOM 0 HA GLU A 63 11.159 -2.788 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.827 -5.158 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.888 -5.038 1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.149 -4.848 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.251 -3.365 2.170 1.00 0.00 H new ATOM 963 N LYS A 64 12.716 -2.768 -0.752 1.00 0.00 N ATOM 964 CA LYS A 64 13.437 -1.913 -1.683 1.00 0.00 C ATOM 965 C LYS A 64 12.575 -0.720 -2.089 1.00 0.00 C ATOM 966 O LYS A 64 13.051 0.218 -2.729 1.00 0.00 O ATOM 967 CB LYS A 64 13.844 -2.714 -2.920 1.00 0.00 C ATOM 968 CG LYS A 64 12.662 -3.280 -3.694 1.00 0.00 C ATOM 969 CD LYS A 64 13.112 -4.226 -4.798 1.00 0.00 C ATOM 970 CE LYS A 64 13.931 -3.512 -5.864 1.00 0.00 C ATOM 971 NZ LYS A 64 13.116 -2.553 -6.655 1.00 0.00 N ATOM 0 H LYS A 64 12.451 -3.676 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 64 14.335 -1.540 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.428 -2.074 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.494 -3.534 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.999 -3.809 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.086 -2.462 -4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.705 -5.032 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.238 -4.686 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.755 -2.979 -5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.372 -4.250 -6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.685 -2.180 -7.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.278 -3.039 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.814 -1.768 -6.044 1.00 0.00 H new ATOM 985 N PHE A 65 11.305 -0.764 -1.710 1.00 0.00 N ATOM 986 CA PHE A 65 10.383 0.319 -2.019 1.00 0.00 C ATOM 987 C PHE A 65 10.185 1.196 -0.795 1.00 0.00 C ATOM 988 O PHE A 65 9.512 2.223 -0.853 1.00 0.00 O ATOM 989 CB PHE A 65 9.035 -0.228 -2.498 1.00 0.00 C ATOM 990 CG PHE A 65 9.092 -0.893 -3.842 1.00 0.00 C ATOM 991 CD1 PHE A 65 8.974 -0.146 -5.001 1.00 0.00 C ATOM 992 CD2 PHE A 65 9.262 -2.262 -3.946 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.023 -0.753 -6.241 1.00 0.00 C ATOM 994 CE2 PHE A 65 9.311 -2.875 -5.182 1.00 0.00 C ATOM 995 CZ PHE A 65 9.192 -2.120 -6.330 1.00 0.00 C ATOM 0 H PHE A 65 10.891 -1.537 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 65 10.813 0.916 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.663 -0.944 -1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.316 0.590 -2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.842 0.924 -4.935 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.357 -2.858 -3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.929 -0.159 -7.138 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.442 -3.945 -5.250 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.231 -2.598 -7.298 1.00 0.00 H new ATOM 1005 N LYS A 66 10.779 0.778 0.317 1.00 0.00 N ATOM 1006 CA LYS A 66 10.698 1.543 1.552 1.00 0.00 C ATOM 1007 C LYS A 66 11.733 2.651 1.555 1.00 0.00 C ATOM 1008 O LYS A 66 12.875 2.453 1.134 1.00 0.00 O ATOM 1009 CB LYS A 66 10.918 0.662 2.782 1.00 0.00 C ATOM 1010 CG LYS A 66 9.866 -0.413 2.987 1.00 0.00 C ATOM 1011 CD LYS A 66 9.974 -1.015 4.382 1.00 0.00 C ATOM 1012 CE LYS A 66 9.081 -2.232 4.557 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.626 -3.411 3.845 1.00 0.00 N ATOM 0 H LYS A 66 11.320 -0.084 0.387 1.00 0.00 H new ATOM 0 HA LYS A 66 9.694 1.965 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.895 0.185 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.946 1.297 3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.872 0.012 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.988 -1.195 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.009 -1.296 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.706 -0.261 5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.980 -2.461 5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.082 -2.009 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.185 -4.276 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.421 -3.328 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.655 -3.458 3.988 1.00 0.00 H new ATOM 1027 N ALA A 67 11.330 3.809 2.033 1.00 0.00 N ATOM 1028 CA ALA A 67 12.234 4.937 2.162 1.00 0.00 C ATOM 1029 C ALA A 67 13.033 4.818 3.452 1.00 0.00 C ATOM 1030 O ALA A 67 12.595 5.261 4.520 1.00 0.00 O ATOM 1031 CB ALA A 67 11.465 6.248 2.120 1.00 0.00 C ATOM 0 H ALA A 67 10.376 3.997 2.341 1.00 0.00 H new ATOM 0 HA ALA A 67 12.928 4.929 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.161 7.081 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.934 6.328 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.748 6.276 2.940 1.00 0.00 H new ATOM 1037 N ASN A 68 14.187 4.178 3.351 1.00 0.00 N ATOM 1038 CA ASN A 68 15.059 3.975 4.497 1.00 0.00 C ATOM 1039 C ASN A 68 16.198 4.978 4.467 1.00 0.00 C ATOM 1040 O ASN A 68 16.152 5.948 5.245 1.00 0.00 O ATOM 1041 CB ASN A 68 15.609 2.547 4.510 1.00 0.00 C ATOM 1042 CG ASN A 68 14.540 1.520 4.826 1.00 0.00 C ATOM 1043 OD1 ASN A 68 13.601 1.792 5.574 1.00 0.00 O ATOM 1044 ND2 ASN A 68 14.669 0.338 4.251 1.00 0.00 N ATOM 1045 OXT ASN A 68 17.114 4.820 3.632 1.00 0.00 O ATOM 0 H ASN A 68 14.544 3.787 2.479 1.00 0.00 H new ATOM 0 HA ASN A 68 14.478 4.126 5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.050 2.321 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 68 16.408 2.475 5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 68 13.975 -0.390 4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 68 15.463 0.153 3.637 1.00 0.00 H new TER 1052 ASN A 68