USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 588 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 NoAdj-H: A 45 HIS HD1 : A 45 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.00874 (180deg=0) USER MOD Single : A 2 SER OG : rot 11:sc= 0.0542 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00305 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -7.58! C(o=-7.6!,f=-6.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -101:sc= 0.137! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -1.72 K(o=-1.7,f=-3.5) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl 156:sc=-0.000428 (180deg=-1.02) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 41:sc= 0.828 USER MOD Single : A 67 THR OG1 : rot -32:sc= 1.02 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 1.03 (180deg=0.973) USER MOD Single : A 70 GLN : amide:sc= -2.47! C(o=-2.5!,f=-3.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 150:sc= 0 (180deg=-1.02) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -47.662 -37.289 15.173 1.00 0.00 N ATOM 2 CA GLY A 1 -46.348 -37.378 15.784 1.00 0.00 C ATOM 3 C GLY A 1 -45.330 -36.488 15.100 1.00 0.00 C ATOM 4 O GLY A 1 -45.315 -36.379 13.874 1.00 0.00 O ATOM 0 H1 GLY A 1 -48.042 -38.246 15.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 -48.300 -36.756 15.798 1.00 0.00 H new ATOM 0 H3 GLY A 1 -47.587 -36.801 14.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -46.420 -37.101 16.836 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -46.004 -38.412 15.750 1.00 0.00 H new ATOM 8 N SER A 2 -44.476 -35.849 15.894 1.00 0.00 N ATOM 9 CA SER A 2 -43.452 -34.960 15.357 1.00 0.00 C ATOM 10 C SER A 2 -42.160 -35.074 16.159 1.00 0.00 C ATOM 11 O SER A 2 -42.176 -35.061 17.390 1.00 0.00 O ATOM 12 CB SER A 2 -43.947 -33.512 15.369 1.00 0.00 C ATOM 13 OG SER A 2 -44.837 -33.269 14.293 1.00 0.00 O ATOM 0 H SER A 2 -44.473 -35.930 16.911 1.00 0.00 H new ATOM 0 HA SER A 2 -43.249 -35.259 14.329 1.00 0.00 H new ATOM 0 HB2 SER A 2 -44.448 -33.303 16.314 1.00 0.00 H new ATOM 0 HB3 SER A 2 -43.097 -32.833 15.303 1.00 0.00 H new ATOM 0 HG SER A 2 -45.077 -34.119 13.869 1.00 0.00 H new ATOM 19 N SER A 3 -41.040 -35.185 15.452 1.00 0.00 N ATOM 20 CA SER A 3 -39.737 -35.306 16.096 1.00 0.00 C ATOM 21 C SER A 3 -38.611 -35.126 15.083 1.00 0.00 C ATOM 22 O SER A 3 -38.734 -35.523 13.925 1.00 0.00 O ATOM 23 CB SER A 3 -39.608 -36.666 16.783 1.00 0.00 C ATOM 24 OG SER A 3 -38.382 -36.768 17.487 1.00 0.00 O ATOM 0 H SER A 3 -41.009 -35.194 14.433 1.00 0.00 H new ATOM 0 HA SER A 3 -39.656 -34.519 16.846 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.440 -36.809 17.473 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.671 -37.460 16.039 1.00 0.00 H new ATOM 0 HG SER A 3 -38.325 -37.646 17.919 1.00 0.00 H new ATOM 30 N GLY A 4 -37.512 -34.524 15.528 1.00 0.00 N ATOM 31 CA GLY A 4 -36.380 -34.302 14.649 1.00 0.00 C ATOM 32 C GLY A 4 -36.184 -32.836 14.315 1.00 0.00 C ATOM 33 O GLY A 4 -37.123 -32.155 13.904 1.00 0.00 O ATOM 0 H GLY A 4 -37.386 -34.186 16.482 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.476 -34.688 15.121 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.524 -34.865 13.727 1.00 0.00 H new ATOM 37 N SER A 5 -34.960 -32.349 14.494 1.00 0.00 N ATOM 38 CA SER A 5 -34.645 -30.953 14.214 1.00 0.00 C ATOM 39 C SER A 5 -33.142 -30.705 14.309 1.00 0.00 C ATOM 40 O SER A 5 -32.524 -30.959 15.343 1.00 0.00 O ATOM 41 CB SER A 5 -35.387 -30.035 15.188 1.00 0.00 C ATOM 42 OG SER A 5 -35.028 -28.679 14.985 1.00 0.00 O ATOM 0 H SER A 5 -34.171 -32.900 14.831 1.00 0.00 H new ATOM 0 HA SER A 5 -34.969 -30.730 13.197 1.00 0.00 H new ATOM 0 HB2 SER A 5 -36.463 -30.153 15.056 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.157 -30.326 16.213 1.00 0.00 H new ATOM 0 HG SER A 5 -35.517 -28.113 15.618 1.00 0.00 H new ATOM 48 N SER A 6 -32.561 -30.209 13.222 1.00 0.00 N ATOM 49 CA SER A 6 -31.130 -29.930 13.180 1.00 0.00 C ATOM 50 C SER A 6 -30.813 -28.872 12.127 1.00 0.00 C ATOM 51 O SER A 6 -31.694 -28.430 11.390 1.00 0.00 O ATOM 52 CB SER A 6 -30.348 -31.211 12.883 1.00 0.00 C ATOM 53 OG SER A 6 -28.991 -31.080 13.268 1.00 0.00 O ATOM 0 H SER A 6 -33.059 -29.992 12.358 1.00 0.00 H new ATOM 0 HA SER A 6 -30.831 -29.548 14.156 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.801 -32.049 13.414 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.407 -31.439 11.819 1.00 0.00 H new ATOM 0 HG SER A 6 -28.513 -31.912 13.070 1.00 0.00 H new ATOM 59 N GLY A 7 -29.547 -28.471 12.062 1.00 0.00 N ATOM 60 CA GLY A 7 -29.135 -27.468 11.097 1.00 0.00 C ATOM 61 C GLY A 7 -27.878 -26.736 11.522 1.00 0.00 C ATOM 62 O GLY A 7 -27.768 -26.288 12.663 1.00 0.00 O ATOM 0 H GLY A 7 -28.799 -28.823 12.660 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.965 -27.945 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -29.942 -26.748 10.959 1.00 0.00 H new ATOM 66 N SER A 8 -26.925 -26.616 10.603 1.00 0.00 N ATOM 67 CA SER A 8 -25.667 -25.939 10.891 1.00 0.00 C ATOM 68 C SER A 8 -25.602 -24.589 10.182 1.00 0.00 C ATOM 69 O SER A 8 -25.905 -24.484 8.993 1.00 0.00 O ATOM 70 CB SER A 8 -24.484 -26.810 10.462 1.00 0.00 C ATOM 71 OG SER A 8 -24.401 -27.982 11.254 1.00 0.00 O ATOM 0 H SER A 8 -27.001 -26.979 9.653 1.00 0.00 H new ATOM 0 HA SER A 8 -25.613 -25.769 11.966 1.00 0.00 H new ATOM 0 HB2 SER A 8 -24.591 -27.083 9.412 1.00 0.00 H new ATOM 0 HB3 SER A 8 -23.558 -26.241 10.550 1.00 0.00 H new ATOM 0 HG SER A 8 -23.639 -28.523 10.959 1.00 0.00 H new ATOM 77 N LEU A 9 -25.204 -23.559 10.920 1.00 0.00 N ATOM 78 CA LEU A 9 -25.099 -22.214 10.364 1.00 0.00 C ATOM 79 C LEU A 9 -23.644 -21.761 10.307 1.00 0.00 C ATOM 80 O LEU A 9 -22.871 -22.009 11.232 1.00 0.00 O ATOM 81 CB LEU A 9 -25.920 -21.230 11.199 1.00 0.00 C ATOM 82 CG LEU A 9 -27.381 -21.055 10.785 1.00 0.00 C ATOM 83 CD1 LEU A 9 -27.473 -20.469 9.384 1.00 0.00 C ATOM 84 CD2 LEU A 9 -28.120 -22.383 10.858 1.00 0.00 C ATOM 0 H LEU A 9 -24.949 -23.629 11.905 1.00 0.00 H new ATOM 0 HA LEU A 9 -25.493 -22.235 9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -25.894 -21.557 12.238 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -25.433 -20.256 11.159 1.00 0.00 H new ATOM 0 HG LEU A 9 -27.854 -20.360 11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -28.521 -20.352 9.107 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -26.981 -19.497 9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -26.983 -21.138 8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -29.158 -22.238 10.560 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -27.646 -23.100 10.188 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -28.085 -22.763 11.879 1.00 0.00 H new ATOM 96 N GLN A 10 -23.279 -21.094 9.217 1.00 0.00 N ATOM 97 CA GLN A 10 -21.917 -20.604 9.041 1.00 0.00 C ATOM 98 C GLN A 10 -21.913 -19.119 8.696 1.00 0.00 C ATOM 99 O GLN A 10 -22.891 -18.590 8.168 1.00 0.00 O ATOM 100 CB GLN A 10 -21.205 -21.397 7.944 1.00 0.00 C ATOM 101 CG GLN A 10 -21.023 -22.869 8.277 1.00 0.00 C ATOM 102 CD GLN A 10 -20.250 -23.618 7.209 1.00 0.00 C ATOM 103 OE1 GLN A 10 -19.425 -23.038 6.503 1.00 0.00 O ATOM 104 NE2 GLN A 10 -20.514 -24.913 7.086 1.00 0.00 N ATOM 0 H GLN A 10 -23.907 -20.880 8.442 1.00 0.00 H new ATOM 0 HA GLN A 10 -21.384 -20.741 9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -21.773 -21.310 7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -20.227 -20.951 7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.501 -22.960 9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -22.001 -23.332 8.404 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -21.206 -25.352 7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.025 -25.469 6.384 1.00 0.00 H new ATOM 113 N LYS A 11 -20.805 -18.450 8.999 1.00 0.00 N ATOM 114 CA LYS A 11 -20.672 -17.024 8.721 1.00 0.00 C ATOM 115 C LYS A 11 -19.265 -16.695 8.230 1.00 0.00 C ATOM 116 O LYS A 11 -18.279 -16.988 8.905 1.00 0.00 O ATOM 117 CB LYS A 11 -20.990 -16.207 9.974 1.00 0.00 C ATOM 118 CG LYS A 11 -22.476 -15.982 10.193 1.00 0.00 C ATOM 119 CD LYS A 11 -22.747 -15.294 11.520 1.00 0.00 C ATOM 120 CE LYS A 11 -22.757 -16.288 12.672 1.00 0.00 C ATOM 121 NZ LYS A 11 -22.709 -15.605 13.994 1.00 0.00 N ATOM 0 H LYS A 11 -19.986 -18.872 9.437 1.00 0.00 H new ATOM 0 HA LYS A 11 -21.382 -16.764 7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -20.576 -16.716 10.844 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.491 -15.240 9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -22.877 -15.377 9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -22.998 -16.939 10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -21.986 -14.535 11.700 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -23.706 -14.779 11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -23.655 -16.903 12.613 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -21.904 -16.960 12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.717 -16.316 14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.840 -15.038 14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -23.536 -14.983 14.094 1.00 0.00 H new ATOM 135 N GLU A 12 -19.182 -16.084 7.052 1.00 0.00 N ATOM 136 CA GLU A 12 -17.896 -15.715 6.473 1.00 0.00 C ATOM 137 C GLU A 12 -17.544 -14.268 6.807 1.00 0.00 C ATOM 138 O GLU A 12 -18.403 -13.488 7.219 1.00 0.00 O ATOM 139 CB GLU A 12 -17.921 -15.908 4.955 1.00 0.00 C ATOM 140 CG GLU A 12 -16.561 -16.233 4.361 1.00 0.00 C ATOM 141 CD GLU A 12 -16.639 -16.595 2.890 1.00 0.00 C ATOM 142 OE1 GLU A 12 -16.552 -15.677 2.048 1.00 0.00 O ATOM 143 OE2 GLU A 12 -16.786 -17.796 2.582 1.00 0.00 O ATOM 0 H GLU A 12 -19.989 -15.834 6.481 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.133 -16.365 6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -18.616 -16.711 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.305 -15.001 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.900 -15.376 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.116 -17.062 4.912 1.00 0.00 H new ATOM 150 N ILE A 13 -16.275 -13.918 6.628 1.00 0.00 N ATOM 151 CA ILE A 13 -15.808 -12.566 6.910 1.00 0.00 C ATOM 152 C ILE A 13 -15.775 -11.721 5.641 1.00 0.00 C ATOM 153 O ILE A 13 -15.428 -12.210 4.566 1.00 0.00 O ATOM 154 CB ILE A 13 -14.405 -12.575 7.545 1.00 0.00 C ATOM 155 CG1 ILE A 13 -14.366 -13.537 8.734 1.00 0.00 C ATOM 156 CG2 ILE A 13 -14.011 -11.171 7.979 1.00 0.00 C ATOM 157 CD1 ILE A 13 -13.058 -13.508 9.492 1.00 0.00 C ATOM 0 H ILE A 13 -15.551 -14.552 6.289 1.00 0.00 H new ATOM 0 HA ILE A 13 -16.514 -12.129 7.617 1.00 0.00 H new ATOM 0 HB ILE A 13 -13.687 -12.919 6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -15.178 -13.290 9.418 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.547 -14.551 8.377 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -13.017 -11.194 8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -14.004 -10.511 7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.729 -10.801 8.711 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.102 -14.214 10.321 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.243 -13.784 8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.884 -12.504 9.880 1.00 0.00 H new ATOM 169 N SER A 14 -16.135 -10.448 5.774 1.00 0.00 N ATOM 170 CA SER A 14 -16.148 -9.534 4.638 1.00 0.00 C ATOM 171 C SER A 14 -14.784 -8.875 4.456 1.00 0.00 C ATOM 172 O SER A 14 -14.130 -8.494 5.427 1.00 0.00 O ATOM 173 CB SER A 14 -17.223 -8.463 4.830 1.00 0.00 C ATOM 174 OG SER A 14 -17.368 -7.671 3.664 1.00 0.00 O ATOM 0 H SER A 14 -16.422 -10.026 6.657 1.00 0.00 H new ATOM 0 HA SER A 14 -16.376 -10.111 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 14 -18.174 -8.937 5.072 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.960 -7.827 5.675 1.00 0.00 H new ATOM 0 HG SER A 14 -18.062 -6.995 3.812 1.00 0.00 H new ATOM 180 N THR A 15 -14.360 -8.744 3.203 1.00 0.00 N ATOM 181 CA THR A 15 -13.075 -8.132 2.891 1.00 0.00 C ATOM 182 C THR A 15 -12.757 -6.996 3.857 1.00 0.00 C ATOM 183 O THR A 15 -11.601 -6.785 4.222 1.00 0.00 O ATOM 184 CB THR A 15 -13.046 -7.588 1.450 1.00 0.00 C ATOM 185 OG1 THR A 15 -11.758 -7.033 1.162 1.00 0.00 O ATOM 186 CG2 THR A 15 -14.117 -6.527 1.251 1.00 0.00 C ATOM 0 H THR A 15 -14.888 -9.054 2.387 1.00 0.00 H new ATOM 0 HA THR A 15 -12.321 -8.913 2.992 1.00 0.00 H new ATOM 0 HB THR A 15 -13.245 -8.415 0.769 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.747 -6.691 0.244 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.077 -6.158 0.226 1.00 0.00 H new ATOM 0 HG22 THR A 15 -15.099 -6.960 1.443 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.944 -5.701 1.941 1.00 0.00 H new ATOM 194 N GLU A 16 -13.791 -6.269 4.269 1.00 0.00 N ATOM 195 CA GLU A 16 -13.621 -5.155 5.193 1.00 0.00 C ATOM 196 C GLU A 16 -12.948 -5.615 6.483 1.00 0.00 C ATOM 197 O GLU A 16 -11.894 -5.105 6.861 1.00 0.00 O ATOM 198 CB GLU A 16 -14.974 -4.515 5.511 1.00 0.00 C ATOM 199 CG GLU A 16 -15.488 -3.599 4.413 1.00 0.00 C ATOM 200 CD GLU A 16 -16.709 -2.807 4.838 1.00 0.00 C ATOM 201 OE1 GLU A 16 -16.612 -2.057 5.833 1.00 0.00 O ATOM 202 OE2 GLU A 16 -17.760 -2.936 4.178 1.00 0.00 O ATOM 0 H GLU A 16 -14.755 -6.432 3.977 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.981 -4.414 4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.706 -5.303 5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.888 -3.946 6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.696 -2.910 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.734 -4.194 3.534 1.00 0.00 H new ATOM 209 N GLU A 17 -13.566 -6.583 7.153 1.00 0.00 N ATOM 210 CA GLU A 17 -13.027 -7.111 8.401 1.00 0.00 C ATOM 211 C GLU A 17 -11.768 -7.935 8.144 1.00 0.00 C ATOM 212 O GLU A 17 -10.753 -7.761 8.818 1.00 0.00 O ATOM 213 CB GLU A 17 -14.076 -7.970 9.112 1.00 0.00 C ATOM 214 CG GLU A 17 -13.661 -8.406 10.507 1.00 0.00 C ATOM 215 CD GLU A 17 -14.755 -9.169 11.229 1.00 0.00 C ATOM 216 OE1 GLU A 17 -15.939 -8.978 10.883 1.00 0.00 O ATOM 217 OE2 GLU A 17 -14.425 -9.957 12.140 1.00 0.00 O ATOM 0 H GLU A 17 -14.439 -7.017 6.853 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.764 -6.268 9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.008 -7.409 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.278 -8.855 8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.771 -9.032 10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.389 -7.528 11.092 1.00 0.00 H new ATOM 224 N GLN A 18 -11.844 -8.832 7.167 1.00 0.00 N ATOM 225 CA GLN A 18 -10.712 -9.684 6.822 1.00 0.00 C ATOM 226 C GLN A 18 -9.437 -8.861 6.675 1.00 0.00 C ATOM 227 O GLN A 18 -8.450 -9.095 7.373 1.00 0.00 O ATOM 228 CB GLN A 18 -10.995 -10.444 5.526 1.00 0.00 C ATOM 229 CG GLN A 18 -11.925 -11.633 5.708 1.00 0.00 C ATOM 230 CD GLN A 18 -11.910 -12.574 4.519 1.00 0.00 C ATOM 231 OE1 GLN A 18 -11.219 -13.593 4.529 1.00 0.00 O ATOM 232 NE2 GLN A 18 -12.674 -12.236 3.487 1.00 0.00 N ATOM 0 H GLN A 18 -12.677 -8.988 6.600 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.569 -10.401 7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.433 -9.758 4.801 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.052 -10.792 5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.636 -12.182 6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.941 -11.273 5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.230 -11.382 3.523 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.705 -12.831 2.659 1.00 0.00 H new ATOM 241 N LEU A 19 -9.464 -7.896 5.763 1.00 0.00 N ATOM 242 CA LEU A 19 -8.309 -7.037 5.523 1.00 0.00 C ATOM 243 C LEU A 19 -7.835 -6.387 6.819 1.00 0.00 C ATOM 244 O LEU A 19 -6.646 -6.407 7.137 1.00 0.00 O ATOM 245 CB LEU A 19 -8.656 -5.958 4.496 1.00 0.00 C ATOM 246 CG LEU A 19 -8.493 -6.352 3.027 1.00 0.00 C ATOM 247 CD1 LEU A 19 -9.059 -7.742 2.782 1.00 0.00 C ATOM 248 CD2 LEU A 19 -9.168 -5.332 2.123 1.00 0.00 C ATOM 0 H LEU A 19 -10.273 -7.688 5.177 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.502 -7.656 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.689 -5.651 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.031 -5.086 4.689 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.429 -6.368 2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.934 -8.006 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.530 -8.465 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.119 -7.753 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.042 -5.629 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.231 -5.283 2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.716 -4.352 2.278 1.00 0.00 H new ATOM 260 N ARG A 20 -8.774 -5.814 7.566 1.00 0.00 N ATOM 261 CA ARG A 20 -8.453 -5.160 8.828 1.00 0.00 C ATOM 262 C ARG A 20 -7.564 -6.050 9.691 1.00 0.00 C ATOM 263 O ARG A 20 -6.926 -5.580 10.633 1.00 0.00 O ATOM 264 CB ARG A 20 -9.735 -4.811 9.587 1.00 0.00 C ATOM 265 CG ARG A 20 -10.340 -3.478 9.180 1.00 0.00 C ATOM 266 CD ARG A 20 -9.808 -2.340 10.036 1.00 0.00 C ATOM 267 NE ARG A 20 -10.559 -1.104 9.832 1.00 0.00 N ATOM 268 CZ ARG A 20 -10.613 -0.121 10.724 1.00 0.00 C ATOM 269 NH1 ARG A 20 -9.962 -0.228 11.874 1.00 0.00 N ATOM 270 NH2 ARG A 20 -11.318 0.973 10.466 1.00 0.00 N ATOM 0 H ARG A 20 -9.763 -5.790 7.318 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.910 -4.242 8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.470 -5.599 9.423 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.521 -4.792 10.656 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.117 -3.281 8.131 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.425 -3.527 9.271 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.856 -2.624 11.087 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.758 -2.169 9.800 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.070 -0.989 8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.418 -1.067 12.076 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.005 0.528 12.557 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.819 1.060 9.582 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.359 1.727 11.152 1.00 0.00 H new ATOM 284 N ARG A 21 -7.528 -7.337 9.363 1.00 0.00 N ATOM 285 CA ARG A 21 -6.719 -8.294 10.109 1.00 0.00 C ATOM 286 C ARG A 21 -5.285 -8.316 9.588 1.00 0.00 C ATOM 287 O ARG A 21 -4.335 -8.111 10.344 1.00 0.00 O ATOM 288 CB ARG A 21 -7.330 -9.693 10.015 1.00 0.00 C ATOM 289 CG ARG A 21 -8.794 -9.747 10.417 1.00 0.00 C ATOM 290 CD ARG A 21 -9.286 -11.181 10.538 1.00 0.00 C ATOM 291 NE ARG A 21 -9.075 -11.938 9.307 1.00 0.00 N ATOM 292 CZ ARG A 21 -7.982 -12.651 9.061 1.00 0.00 C ATOM 293 NH1 ARG A 21 -7.006 -12.705 9.957 1.00 0.00 N ATOM 294 NH2 ARG A 21 -7.863 -13.313 7.917 1.00 0.00 N ATOM 0 H ARG A 21 -8.050 -7.742 8.585 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.703 -7.982 11.153 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.229 -10.056 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.762 -10.372 10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.930 -9.233 11.368 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.395 -9.216 9.679 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.767 -11.674 11.360 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.347 -11.180 10.786 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.807 -11.918 8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.094 -12.198 10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.168 -13.253 9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.612 -13.275 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.023 -13.860 7.729 1.00 0.00 H new ATOM 308 N LEU A 22 -5.136 -8.567 8.292 1.00 0.00 N ATOM 309 CA LEU A 22 -3.818 -8.617 7.669 1.00 0.00 C ATOM 310 C LEU A 22 -3.357 -7.222 7.257 1.00 0.00 C ATOM 311 O LEU A 22 -2.227 -6.825 7.537 1.00 0.00 O ATOM 312 CB LEU A 22 -3.844 -9.539 6.448 1.00 0.00 C ATOM 313 CG LEU A 22 -5.110 -9.483 5.592 1.00 0.00 C ATOM 314 CD1 LEU A 22 -4.773 -9.714 4.127 1.00 0.00 C ATOM 315 CD2 LEU A 22 -6.126 -10.507 6.075 1.00 0.00 C ATOM 0 H LEU A 22 -5.912 -8.739 7.652 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.112 -9.012 8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.991 -9.295 5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.705 -10.565 6.789 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.550 -8.490 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.686 -9.671 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.081 -8.943 3.787 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.310 -10.694 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.020 -10.453 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.696 -11.506 6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.390 -10.297 7.111 1.00 0.00 H new ATOM 327 N GLN A 23 -4.241 -6.484 6.594 1.00 0.00 N ATOM 328 CA GLN A 23 -3.925 -5.133 6.146 1.00 0.00 C ATOM 329 C GLN A 23 -3.423 -4.279 7.305 1.00 0.00 C ATOM 330 O GLN A 23 -2.640 -3.350 7.109 1.00 0.00 O ATOM 331 CB GLN A 23 -5.155 -4.482 5.512 1.00 0.00 C ATOM 332 CG GLN A 23 -5.587 -5.136 4.210 1.00 0.00 C ATOM 333 CD GLN A 23 -6.317 -4.178 3.289 1.00 0.00 C ATOM 334 OE1 GLN A 23 -6.793 -3.127 3.719 1.00 0.00 O ATOM 335 NE2 GLN A 23 -6.409 -4.536 2.014 1.00 0.00 N ATOM 0 H GLN A 23 -5.181 -6.799 6.355 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.134 -5.201 5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.982 -4.521 6.221 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -4.944 -3.429 5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.709 -5.529 3.697 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.234 -5.985 4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.000 -5.416 1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.889 -3.931 1.348 1.00 0.00 H new ATOM 344 N GLU A 24 -3.879 -4.600 8.512 1.00 0.00 N ATOM 345 CA GLU A 24 -3.476 -3.860 9.702 1.00 0.00 C ATOM 346 C GLU A 24 -2.142 -4.373 10.236 1.00 0.00 C ATOM 347 O GLU A 24 -1.737 -4.038 11.348 1.00 0.00 O ATOM 348 CB GLU A 24 -4.549 -3.972 10.787 1.00 0.00 C ATOM 349 CG GLU A 24 -4.467 -5.257 11.594 1.00 0.00 C ATOM 350 CD GLU A 24 -5.294 -5.202 12.864 1.00 0.00 C ATOM 351 OE1 GLU A 24 -6.243 -4.392 12.918 1.00 0.00 O ATOM 352 OE2 GLU A 24 -4.991 -5.967 13.803 1.00 0.00 O ATOM 0 H GLU A 24 -4.527 -5.367 8.691 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.358 -2.813 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.460 -3.122 11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.533 -3.907 10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.807 -6.090 10.979 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.426 -5.455 11.851 1.00 0.00 H new ATOM 359 N GLU A 25 -1.464 -5.190 9.434 1.00 0.00 N ATOM 360 CA GLU A 25 -0.177 -5.750 9.827 1.00 0.00 C ATOM 361 C GLU A 25 0.914 -5.354 8.837 1.00 0.00 C ATOM 362 O GLU A 25 2.101 -5.564 9.086 1.00 0.00 O ATOM 363 CB GLU A 25 -0.267 -7.275 9.920 1.00 0.00 C ATOM 364 CG GLU A 25 -1.307 -7.764 10.914 1.00 0.00 C ATOM 365 CD GLU A 25 -1.411 -9.276 10.953 1.00 0.00 C ATOM 366 OE1 GLU A 25 -1.777 -9.872 9.919 1.00 0.00 O ATOM 367 OE2 GLU A 25 -1.126 -9.863 12.018 1.00 0.00 O ATOM 0 H GLU A 25 -1.785 -5.478 8.510 1.00 0.00 H new ATOM 0 HA GLU A 25 0.082 -5.347 10.806 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.501 -7.677 8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.708 -7.672 10.203 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.055 -7.395 11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.278 -7.343 10.654 1.00 0.00 H new ATOM 374 N LYS A 26 0.503 -4.779 7.711 1.00 0.00 N ATOM 375 CA LYS A 26 1.443 -4.352 6.682 1.00 0.00 C ATOM 376 C LYS A 26 1.426 -2.834 6.526 1.00 0.00 C ATOM 377 O LYS A 26 2.459 -2.215 6.265 1.00 0.00 O ATOM 378 CB LYS A 26 1.105 -5.016 5.346 1.00 0.00 C ATOM 379 CG LYS A 26 -0.373 -4.965 4.998 1.00 0.00 C ATOM 380 CD LYS A 26 -0.598 -5.090 3.500 1.00 0.00 C ATOM 381 CE LYS A 26 -2.066 -5.316 3.174 1.00 0.00 C ATOM 382 NZ LYS A 26 -2.276 -5.598 1.727 1.00 0.00 N ATOM 0 H LYS A 26 -0.476 -4.598 7.488 1.00 0.00 H new ATOM 0 HA LYS A 26 2.443 -4.657 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.673 -4.529 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.427 -6.057 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.897 -5.769 5.514 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.799 -4.027 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.249 -4.186 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.006 -5.918 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.445 -6.150 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.641 -4.435 3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.289 -5.746 1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.938 -4.792 1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.748 -6.453 1.460 1.00 0.00 H new ATOM 396 N LEU A 27 0.249 -2.241 6.689 1.00 0.00 N ATOM 397 CA LEU A 27 0.099 -0.795 6.568 1.00 0.00 C ATOM 398 C LEU A 27 1.129 -0.066 7.424 1.00 0.00 C ATOM 399 O LEU A 27 1.994 -0.691 8.039 1.00 0.00 O ATOM 400 CB LEU A 27 -1.313 -0.373 6.979 1.00 0.00 C ATOM 401 CG LEU A 27 -1.665 -0.558 8.456 1.00 0.00 C ATOM 402 CD1 LEU A 27 -0.875 -1.712 9.052 1.00 0.00 C ATOM 403 CD2 LEU A 27 -1.405 0.725 9.231 1.00 0.00 C ATOM 0 H LEU A 27 -0.615 -2.738 6.905 1.00 0.00 H new ATOM 0 HA LEU A 27 0.264 -0.524 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.445 0.678 6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.028 -0.939 6.382 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.726 -0.795 8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.138 -1.829 10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.111 -2.630 8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.192 -1.505 8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.661 0.575 10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.351 0.992 9.149 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.016 1.529 8.820 1.00 0.00 H new ATOM 415 N CYS A 28 1.030 1.259 7.462 1.00 0.00 N ATOM 416 CA CYS A 28 1.952 2.073 8.244 1.00 0.00 C ATOM 417 C CYS A 28 2.153 1.482 9.636 1.00 0.00 C ATOM 418 O CYS A 28 1.376 0.638 10.083 1.00 0.00 O ATOM 419 CB CYS A 28 1.428 3.506 8.358 1.00 0.00 C ATOM 420 SG CYS A 28 2.673 4.710 8.925 1.00 0.00 S ATOM 0 H CYS A 28 0.320 1.792 6.960 1.00 0.00 H new ATOM 0 HA CYS A 28 2.913 2.084 7.731 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.049 3.821 7.386 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.584 3.519 9.048 1.00 0.00 H new ATOM 425 N LYS A 29 3.201 1.931 10.318 1.00 0.00 N ATOM 426 CA LYS A 29 3.506 1.449 11.660 1.00 0.00 C ATOM 427 C LYS A 29 3.627 2.611 12.641 1.00 0.00 C ATOM 428 O LYS A 29 3.700 2.407 13.853 1.00 0.00 O ATOM 429 CB LYS A 29 4.804 0.638 11.651 1.00 0.00 C ATOM 430 CG LYS A 29 6.020 1.432 12.094 1.00 0.00 C ATOM 431 CD LYS A 29 6.301 1.242 13.575 1.00 0.00 C ATOM 432 CE LYS A 29 6.895 2.498 14.195 1.00 0.00 C ATOM 433 NZ LYS A 29 7.333 2.269 15.600 1.00 0.00 N ATOM 0 H LYS A 29 3.854 2.629 9.963 1.00 0.00 H new ATOM 0 HA LYS A 29 2.686 0.807 11.983 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.687 -0.226 12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.977 0.256 10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.889 1.121 11.515 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.860 2.490 11.886 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.377 0.982 14.091 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.988 0.407 13.712 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.745 2.830 13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.156 3.299 14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.732 3.148 15.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.517 1.977 16.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.056 1.522 15.621 1.00 0.00 H new ATOM 447 N ILE A 30 3.647 3.828 12.109 1.00 0.00 N ATOM 448 CA ILE A 30 3.757 5.022 12.939 1.00 0.00 C ATOM 449 C ILE A 30 2.381 5.594 13.263 1.00 0.00 C ATOM 450 O ILE A 30 2.003 5.708 14.429 1.00 0.00 O ATOM 451 CB ILE A 30 4.604 6.109 12.251 1.00 0.00 C ATOM 452 CG1 ILE A 30 6.063 5.660 12.148 1.00 0.00 C ATOM 453 CG2 ILE A 30 4.501 7.422 13.014 1.00 0.00 C ATOM 454 CD1 ILE A 30 6.426 5.094 10.793 1.00 0.00 C ATOM 0 H ILE A 30 3.589 4.014 11.108 1.00 0.00 H new ATOM 0 HA ILE A 30 4.249 4.720 13.864 1.00 0.00 H new ATOM 0 HB ILE A 30 4.219 6.265 11.243 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.712 6.509 12.364 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.258 4.907 12.912 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.105 8.181 12.516 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.461 7.746 13.041 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.864 7.281 14.032 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.475 4.796 10.792 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.802 4.225 10.582 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.263 5.852 10.027 1.00 0.00 H new ATOM 466 N CYS A 31 1.635 5.952 12.223 1.00 0.00 N ATOM 467 CA CYS A 31 0.300 6.512 12.396 1.00 0.00 C ATOM 468 C CYS A 31 -0.757 5.411 12.380 1.00 0.00 C ATOM 469 O CYS A 31 -1.743 5.474 13.114 1.00 0.00 O ATOM 470 CB CYS A 31 0.006 7.532 11.294 1.00 0.00 C ATOM 471 SG CYS A 31 -0.230 6.798 9.644 1.00 0.00 S ATOM 0 H CYS A 31 1.933 5.864 11.251 1.00 0.00 H new ATOM 0 HA CYS A 31 0.265 7.012 13.364 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.890 8.092 11.562 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.827 8.247 11.247 1.00 0.00 H new ATOM 476 N MET A 32 -0.543 4.404 11.540 1.00 0.00 N ATOM 477 CA MET A 32 -1.476 3.289 11.430 1.00 0.00 C ATOM 478 C MET A 32 -2.858 3.776 11.007 1.00 0.00 C ATOM 479 O MET A 32 -3.876 3.290 11.499 1.00 0.00 O ATOM 480 CB MET A 32 -1.572 2.543 12.763 1.00 0.00 C ATOM 481 CG MET A 32 -0.299 1.802 13.137 1.00 0.00 C ATOM 482 SD MET A 32 -0.589 0.483 14.332 1.00 0.00 S ATOM 483 CE MET A 32 0.030 -0.934 13.429 1.00 0.00 C ATOM 0 H MET A 32 0.268 4.337 10.925 1.00 0.00 H new ATOM 0 HA MET A 32 -1.100 2.608 10.666 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.813 3.255 13.552 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.396 1.831 12.713 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.149 1.380 12.237 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.421 2.509 13.550 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.081 -1.831 14.039 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.535 -1.052 12.504 1.00 0.00 H new ATOM 0 HE3 MET A 32 1.084 -0.783 13.193 1.00 0.00 H new ATOM 493 N ASP A 33 -2.886 4.739 10.092 1.00 0.00 N ATOM 494 CA ASP A 33 -4.143 5.292 9.601 1.00 0.00 C ATOM 495 C ASP A 33 -4.409 4.848 8.166 1.00 0.00 C ATOM 496 O ASP A 33 -5.521 4.445 7.826 1.00 0.00 O ATOM 497 CB ASP A 33 -4.119 6.819 9.680 1.00 0.00 C ATOM 498 CG ASP A 33 -4.637 7.339 11.006 1.00 0.00 C ATOM 499 OD1 ASP A 33 -3.882 7.287 12.000 1.00 0.00 O ATOM 500 OD2 ASP A 33 -5.797 7.799 11.051 1.00 0.00 O ATOM 0 H ASP A 33 -2.052 5.153 9.675 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.948 4.916 10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.099 7.172 9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.722 7.231 8.871 1.00 0.00 H new ATOM 505 N ARG A 34 -3.380 4.925 7.328 1.00 0.00 N ATOM 506 CA ARG A 34 -3.503 4.534 5.929 1.00 0.00 C ATOM 507 C ARG A 34 -2.553 3.386 5.600 1.00 0.00 C ATOM 508 O ARG A 34 -1.816 2.910 6.463 1.00 0.00 O ATOM 509 CB ARG A 34 -3.214 5.727 5.016 1.00 0.00 C ATOM 510 CG ARG A 34 -1.733 6.032 4.863 1.00 0.00 C ATOM 511 CD ARG A 34 -1.506 7.314 4.077 1.00 0.00 C ATOM 512 NE ARG A 34 -1.906 7.176 2.679 1.00 0.00 N ATOM 513 CZ ARG A 34 -3.139 7.406 2.241 1.00 0.00 C ATOM 514 NH1 ARG A 34 -4.087 7.783 3.088 1.00 0.00 N ATOM 515 NH2 ARG A 34 -3.425 7.259 0.954 1.00 0.00 N ATOM 0 H ARG A 34 -2.452 5.255 7.594 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.526 4.196 5.761 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.640 5.532 4.032 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.719 6.608 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.275 6.122 5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.240 5.202 4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.069 8.126 4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.452 7.589 4.127 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.200 6.887 2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.870 7.897 4.078 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.033 7.959 2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.698 6.969 0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.372 7.436 0.619 1.00 0.00 H new ATOM 529 N ASN A 35 -2.576 2.946 4.346 1.00 0.00 N ATOM 530 CA ASN A 35 -1.718 1.853 3.904 1.00 0.00 C ATOM 531 C ASN A 35 -0.354 2.377 3.462 1.00 0.00 C ATOM 532 O ASN A 35 -0.221 3.537 3.069 1.00 0.00 O ATOM 533 CB ASN A 35 -2.380 1.091 2.754 1.00 0.00 C ATOM 534 CG ASN A 35 -1.927 -0.355 2.683 1.00 0.00 C ATOM 535 OD1 ASN A 35 -1.120 -0.723 1.829 1.00 0.00 O ATOM 536 ND2 ASN A 35 -2.446 -1.182 3.583 1.00 0.00 N ATOM 0 H ASN A 35 -3.179 3.330 3.618 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.573 1.175 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.463 1.124 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.149 1.588 1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.179 -2.166 3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.112 -0.833 4.272 1.00 0.00 H new ATOM 543 N ILE A 36 0.655 1.515 3.530 1.00 0.00 N ATOM 544 CA ILE A 36 2.007 1.891 3.136 1.00 0.00 C ATOM 545 C ILE A 36 2.216 1.700 1.637 1.00 0.00 C ATOM 546 O ILE A 36 2.057 0.597 1.114 1.00 0.00 O ATOM 547 CB ILE A 36 3.064 1.070 3.899 1.00 0.00 C ATOM 548 CG1 ILE A 36 2.683 -0.412 3.905 1.00 0.00 C ATOM 549 CG2 ILE A 36 3.213 1.590 5.320 1.00 0.00 C ATOM 550 CD1 ILE A 36 3.876 -1.342 3.899 1.00 0.00 C ATOM 0 H ILE A 36 0.562 0.552 3.854 1.00 0.00 H new ATOM 0 HA ILE A 36 2.127 2.945 3.386 1.00 0.00 H new ATOM 0 HB ILE A 36 4.023 1.177 3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.075 -0.619 4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.063 -0.623 3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.963 1.000 5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.525 2.634 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.258 1.509 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.531 -2.376 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.473 -1.163 3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.485 -1.158 4.784 1.00 0.00 H new ATOM 562 N ALA A 37 2.574 2.781 0.953 1.00 0.00 N ATOM 563 CA ALA A 37 2.809 2.732 -0.485 1.00 0.00 C ATOM 564 C ALA A 37 4.085 3.478 -0.858 1.00 0.00 C ATOM 565 O ALA A 37 4.241 3.932 -1.992 1.00 0.00 O ATOM 566 CB ALA A 37 1.618 3.312 -1.234 1.00 0.00 C ATOM 0 H ALA A 37 2.708 3.702 1.371 1.00 0.00 H new ATOM 0 HA ALA A 37 2.932 1.688 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.807 3.269 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.724 2.734 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.469 4.349 -0.933 1.00 0.00 H new ATOM 572 N ILE A 38 4.995 3.601 0.102 1.00 0.00 N ATOM 573 CA ILE A 38 6.258 4.292 -0.127 1.00 0.00 C ATOM 574 C ILE A 38 7.382 3.671 0.696 1.00 0.00 C ATOM 575 O ILE A 38 7.148 3.126 1.775 1.00 0.00 O ATOM 576 CB ILE A 38 6.152 5.789 0.218 1.00 0.00 C ATOM 577 CG1 ILE A 38 5.198 6.492 -0.750 1.00 0.00 C ATOM 578 CG2 ILE A 38 7.527 6.440 0.182 1.00 0.00 C ATOM 579 CD1 ILE A 38 5.756 6.637 -2.148 1.00 0.00 C ATOM 0 H ILE A 38 4.881 3.231 1.046 1.00 0.00 H new ATOM 0 HA ILE A 38 6.486 4.187 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 38 5.752 5.886 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.263 5.933 -0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.959 7.481 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.435 7.498 0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.179 5.954 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.953 6.335 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.027 7.144 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.675 7.222 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.969 5.650 -2.559 1.00 0.00 H new ATOM 591 N VAL A 39 8.604 3.757 0.179 1.00 0.00 N ATOM 592 CA VAL A 39 9.765 3.206 0.867 1.00 0.00 C ATOM 593 C VAL A 39 10.897 4.225 0.937 1.00 0.00 C ATOM 594 O VAL A 39 10.778 5.338 0.424 1.00 0.00 O ATOM 595 CB VAL A 39 10.278 1.932 0.170 1.00 0.00 C ATOM 596 CG1 VAL A 39 9.114 1.049 -0.251 1.00 0.00 C ATOM 597 CG2 VAL A 39 11.145 2.293 -1.027 1.00 0.00 C ATOM 0 H VAL A 39 8.815 4.203 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 39 9.444 2.954 1.878 1.00 0.00 H new ATOM 0 HB VAL A 39 10.890 1.372 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 39 9.495 0.154 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.538 0.763 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.473 1.597 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.499 1.381 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 39 10.559 2.874 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 39 11.999 2.882 -0.693 1.00 0.00 H new ATOM 607 N PHE A 40 11.997 3.837 1.575 1.00 0.00 N ATOM 608 CA PHE A 40 13.151 4.717 1.712 1.00 0.00 C ATOM 609 C PHE A 40 14.330 4.200 0.893 1.00 0.00 C ATOM 610 O PHE A 40 14.297 3.085 0.371 1.00 0.00 O ATOM 611 CB PHE A 40 13.553 4.840 3.184 1.00 0.00 C ATOM 612 CG PHE A 40 12.428 5.276 4.078 1.00 0.00 C ATOM 613 CD1 PHE A 40 11.632 6.357 3.735 1.00 0.00 C ATOM 614 CD2 PHE A 40 12.165 4.604 5.261 1.00 0.00 C ATOM 615 CE1 PHE A 40 10.597 6.761 4.556 1.00 0.00 C ATOM 616 CE2 PHE A 40 11.131 5.003 6.086 1.00 0.00 C ATOM 617 CZ PHE A 40 10.345 6.082 5.733 1.00 0.00 C ATOM 0 H PHE A 40 12.113 2.919 2.005 1.00 0.00 H new ATOM 0 HA PHE A 40 12.873 5.701 1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.930 3.878 3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.372 5.554 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.823 6.890 2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.775 3.758 5.541 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.985 7.607 4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.938 4.471 7.006 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.535 6.395 6.375 1.00 0.00 H new ATOM 627 N VAL A 41 15.372 5.018 0.784 1.00 0.00 N ATOM 628 CA VAL A 41 16.562 4.644 0.030 1.00 0.00 C ATOM 629 C VAL A 41 17.828 5.154 0.710 1.00 0.00 C ATOM 630 O VAL A 41 17.886 6.281 1.203 1.00 0.00 O ATOM 631 CB VAL A 41 16.510 5.192 -1.409 1.00 0.00 C ATOM 632 CG1 VAL A 41 17.835 4.959 -2.118 1.00 0.00 C ATOM 633 CG2 VAL A 41 15.364 4.555 -2.180 1.00 0.00 C ATOM 0 H VAL A 41 15.416 5.944 1.209 1.00 0.00 H new ATOM 0 HA VAL A 41 16.585 3.555 -0.004 1.00 0.00 H new ATOM 0 HB VAL A 41 16.334 6.267 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.779 5.353 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.632 5.467 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.045 3.890 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.342 4.953 -3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.507 3.475 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.421 4.779 -1.682 1.00 0.00 H new ATOM 643 N PRO A 42 18.866 4.306 0.740 1.00 0.00 N ATOM 644 CA PRO A 42 18.808 2.962 0.158 1.00 0.00 C ATOM 645 C PRO A 42 17.896 2.028 0.947 1.00 0.00 C ATOM 646 O PRO A 42 17.035 1.357 0.378 1.00 0.00 O ATOM 647 CB PRO A 42 20.259 2.480 0.231 1.00 0.00 C ATOM 648 CG PRO A 42 20.859 3.253 1.354 1.00 0.00 C ATOM 649 CD PRO A 42 20.178 4.594 1.345 1.00 0.00 C ATOM 0 HA PRO A 42 18.399 2.973 -0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 42 20.311 1.407 0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 42 20.786 2.667 -0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 42 20.704 2.743 2.305 1.00 0.00 H new ATOM 0 HG3 PRO A 42 21.936 3.361 1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 42 20.076 5.000 2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 42 20.738 5.325 0.762 1.00 0.00 H new ATOM 657 N CYS A 43 18.092 1.989 2.261 1.00 0.00 N ATOM 658 CA CYS A 43 17.287 1.137 3.129 1.00 0.00 C ATOM 659 C CYS A 43 15.814 1.200 2.739 1.00 0.00 C ATOM 660 O CYS A 43 15.175 2.246 2.850 1.00 0.00 O ATOM 661 CB CYS A 43 17.458 1.556 4.590 1.00 0.00 C ATOM 662 SG CYS A 43 16.600 3.103 5.025 1.00 0.00 S ATOM 0 H CYS A 43 18.801 2.537 2.748 1.00 0.00 H new ATOM 0 HA CYS A 43 17.632 0.110 3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 43 17.089 0.756 5.232 1.00 0.00 H new ATOM 0 HB3 CYS A 43 18.521 1.671 4.802 1.00 0.00 H new ATOM 667 N GLY A 44 15.279 0.071 2.282 1.00 0.00 N ATOM 668 CA GLY A 44 13.885 0.019 1.883 1.00 0.00 C ATOM 669 C GLY A 44 12.970 -0.387 3.021 1.00 0.00 C ATOM 670 O GLY A 44 12.858 -1.570 3.345 1.00 0.00 O ATOM 0 H GLY A 44 15.787 -0.808 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.581 0.996 1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.772 -0.687 1.061 1.00 0.00 H new ATOM 674 N HIS A 45 12.316 0.595 3.632 1.00 0.00 N ATOM 675 CA HIS A 45 11.407 0.334 4.743 1.00 0.00 C ATOM 676 C HIS A 45 10.050 0.988 4.500 1.00 0.00 C ATOM 677 O HIS A 45 9.946 2.213 4.416 1.00 0.00 O ATOM 678 CB HIS A 45 12.007 0.847 6.052 1.00 0.00 C ATOM 679 CG HIS A 45 13.239 0.108 6.476 1.00 0.00 C ATOM 680 ND1 HIS A 45 14.503 0.657 6.418 1.00 0.00 N ATOM 681 CD2 HIS A 45 13.396 -1.143 6.969 1.00 0.00 C ATOM 682 CE1 HIS A 45 15.384 -0.225 6.855 1.00 0.00 C ATOM 683 NE2 HIS A 45 14.738 -1.326 7.196 1.00 0.00 N ATOM 0 H HIS A 45 12.398 1.579 3.377 1.00 0.00 H new ATOM 0 HA HIS A 45 11.263 -0.744 4.817 1.00 0.00 H new ATOM 0 HB2 HIS A 45 12.247 1.905 5.942 1.00 0.00 H new ATOM 0 HB3 HIS A 45 11.258 0.770 6.840 1.00 0.00 H new ATOM 0 HD2 HIS A 45 12.612 -1.863 7.150 1.00 0.00 H new ATOM 0 HE1 HIS A 45 16.451 -0.072 6.922 1.00 0.00 H new ATOM 0 HE2 HIS A 45 15.166 -2.174 7.567 1.00 0.00 H new ATOM 691 N LEU A 46 9.014 0.165 4.388 1.00 0.00 N ATOM 692 CA LEU A 46 7.663 0.664 4.154 1.00 0.00 C ATOM 693 C LEU A 46 6.913 0.843 5.470 1.00 0.00 C ATOM 694 O LEU A 46 5.684 0.779 5.511 1.00 0.00 O ATOM 695 CB LEU A 46 6.894 -0.295 3.243 1.00 0.00 C ATOM 696 CG LEU A 46 7.102 -1.786 3.510 1.00 0.00 C ATOM 697 CD1 LEU A 46 8.420 -2.257 2.914 1.00 0.00 C ATOM 698 CD2 LEU A 46 7.058 -2.072 5.004 1.00 0.00 C ATOM 0 H LEU A 46 9.083 -0.850 4.455 1.00 0.00 H new ATOM 0 HA LEU A 46 7.741 1.635 3.666 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.830 -0.075 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.176 -0.088 2.211 1.00 0.00 H new ATOM 0 HG LEU A 46 6.293 -2.337 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.550 -3.320 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.413 -2.089 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.242 -1.700 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.208 -3.138 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.846 -1.510 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.089 -1.773 5.403 1.00 0.00 H new ATOM 710 N VAL A 47 7.661 1.069 6.545 1.00 0.00 N ATOM 711 CA VAL A 47 7.068 1.261 7.863 1.00 0.00 C ATOM 712 C VAL A 47 6.185 2.503 7.893 1.00 0.00 C ATOM 713 O VAL A 47 5.311 2.638 8.750 1.00 0.00 O ATOM 714 CB VAL A 47 8.149 1.388 8.953 1.00 0.00 C ATOM 715 CG1 VAL A 47 8.725 0.022 9.294 1.00 0.00 C ATOM 716 CG2 VAL A 47 9.246 2.342 8.506 1.00 0.00 C ATOM 0 H VAL A 47 8.679 1.124 6.529 1.00 0.00 H new ATOM 0 HA VAL A 47 6.459 0.380 8.066 1.00 0.00 H new ATOM 0 HB VAL A 47 7.688 1.797 9.852 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.487 0.131 10.066 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.929 -0.628 9.659 1.00 0.00 H new ATOM 0 HG13 VAL A 47 9.172 -0.417 8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.001 2.420 9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.707 1.965 7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.817 3.326 8.316 1.00 0.00 H new ATOM 726 N THR A 48 6.417 3.411 6.949 1.00 0.00 N ATOM 727 CA THR A 48 5.644 4.643 6.866 1.00 0.00 C ATOM 728 C THR A 48 4.819 4.690 5.585 1.00 0.00 C ATOM 729 O THR A 48 5.149 4.032 4.598 1.00 0.00 O ATOM 730 CB THR A 48 6.555 5.883 6.922 1.00 0.00 C ATOM 731 OG1 THR A 48 7.427 5.902 5.786 1.00 0.00 O ATOM 732 CG2 THR A 48 7.380 5.892 8.201 1.00 0.00 C ATOM 0 H THR A 48 7.135 3.315 6.231 1.00 0.00 H new ATOM 0 HA THR A 48 4.975 4.654 7.726 1.00 0.00 H new ATOM 0 HB THR A 48 5.923 6.771 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.317 5.590 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.016 6.777 8.218 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.714 5.907 9.064 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.002 4.998 8.239 1.00 0.00 H new ATOM 740 N CYS A 49 3.745 5.472 5.607 1.00 0.00 N ATOM 741 CA CYS A 49 2.873 5.605 4.446 1.00 0.00 C ATOM 742 C CYS A 49 3.269 6.814 3.604 1.00 0.00 C ATOM 743 O CYS A 49 4.277 7.468 3.871 1.00 0.00 O ATOM 744 CB CYS A 49 1.414 5.736 4.891 1.00 0.00 C ATOM 745 SG CYS A 49 1.131 7.031 6.140 1.00 0.00 S ATOM 0 H CYS A 49 3.458 6.023 6.416 1.00 0.00 H new ATOM 0 HA CYS A 49 2.982 4.708 3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.797 5.947 4.018 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.081 4.779 5.293 1.00 0.00 H new ATOM 750 N LYS A 50 2.468 7.106 2.584 1.00 0.00 N ATOM 751 CA LYS A 50 2.733 8.236 1.702 1.00 0.00 C ATOM 752 C LYS A 50 2.889 9.525 2.502 1.00 0.00 C ATOM 753 O LYS A 50 3.743 10.356 2.195 1.00 0.00 O ATOM 754 CB LYS A 50 1.602 8.390 0.683 1.00 0.00 C ATOM 755 CG LYS A 50 1.990 9.206 -0.538 1.00 0.00 C ATOM 756 CD LYS A 50 0.861 9.260 -1.554 1.00 0.00 C ATOM 757 CE LYS A 50 0.958 10.500 -2.430 1.00 0.00 C ATOM 758 NZ LYS A 50 0.343 10.283 -3.769 1.00 0.00 N ATOM 0 H LYS A 50 1.630 6.575 2.348 1.00 0.00 H new ATOM 0 HA LYS A 50 3.666 8.041 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.278 7.401 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.748 8.862 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.254 10.218 -0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.876 8.772 -1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.890 8.368 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.098 9.254 -1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.463 11.335 -1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.005 10.777 -2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.430 11.151 -4.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.832 9.503 -4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.662 10.043 -3.654 1.00 0.00 H new ATOM 772 N GLN A 51 2.060 9.684 3.528 1.00 0.00 N ATOM 773 CA GLN A 51 2.108 10.872 4.372 1.00 0.00 C ATOM 774 C GLN A 51 3.322 10.836 5.294 1.00 0.00 C ATOM 775 O GLN A 51 4.269 11.605 5.122 1.00 0.00 O ATOM 776 CB GLN A 51 0.827 10.987 5.200 1.00 0.00 C ATOM 777 CG GLN A 51 -0.307 11.691 4.472 1.00 0.00 C ATOM 778 CD GLN A 51 -0.933 10.828 3.395 1.00 0.00 C ATOM 779 OE1 GLN A 51 -0.306 10.532 2.377 1.00 0.00 O ATOM 780 NE2 GLN A 51 -2.177 10.418 3.614 1.00 0.00 N ATOM 0 H GLN A 51 1.347 9.005 3.795 1.00 0.00 H new ATOM 0 HA GLN A 51 2.193 11.744 3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.499 9.988 5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.047 11.527 6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.073 11.979 5.192 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.070 12.610 4.023 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.659 10.687 4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.650 9.834 2.925 1.00 0.00 H new ATOM 789 N CYS A 52 3.288 9.940 6.274 1.00 0.00 N ATOM 790 CA CYS A 52 4.385 9.804 7.225 1.00 0.00 C ATOM 791 C CYS A 52 5.731 10.011 6.536 1.00 0.00 C ATOM 792 O CYS A 52 6.538 10.837 6.964 1.00 0.00 O ATOM 793 CB CYS A 52 4.346 8.425 7.887 1.00 0.00 C ATOM 794 SG CYS A 52 3.043 8.241 9.146 1.00 0.00 S ATOM 0 H CYS A 52 2.512 9.297 6.431 1.00 0.00 H new ATOM 0 HA CYS A 52 4.266 10.571 7.990 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.201 7.668 7.116 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.313 8.228 8.349 1.00 0.00 H new ATOM 799 N ALA A 53 5.965 9.257 5.468 1.00 0.00 N ATOM 800 CA ALA A 53 7.211 9.360 4.718 1.00 0.00 C ATOM 801 C ALA A 53 7.551 10.815 4.415 1.00 0.00 C ATOM 802 O ALA A 53 8.702 11.231 4.538 1.00 0.00 O ATOM 803 CB ALA A 53 7.119 8.558 3.429 1.00 0.00 C ATOM 0 H ALA A 53 5.308 8.568 5.102 1.00 0.00 H new ATOM 0 HA ALA A 53 8.011 8.948 5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.056 8.644 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.931 7.510 3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.303 8.944 2.818 1.00 0.00 H new ATOM 809 N GLU A 54 6.542 11.583 4.017 1.00 0.00 N ATOM 810 CA GLU A 54 6.736 12.992 3.695 1.00 0.00 C ATOM 811 C GLU A 54 7.075 13.795 4.948 1.00 0.00 C ATOM 812 O GLU A 54 7.895 14.711 4.907 1.00 0.00 O ATOM 813 CB GLU A 54 5.480 13.565 3.034 1.00 0.00 C ATOM 814 CG GLU A 54 5.340 13.190 1.568 1.00 0.00 C ATOM 815 CD GLU A 54 4.279 14.007 0.856 1.00 0.00 C ATOM 816 OE1 GLU A 54 4.392 15.251 0.852 1.00 0.00 O ATOM 817 OE2 GLU A 54 3.335 13.403 0.305 1.00 0.00 O ATOM 0 H GLU A 54 5.583 11.254 3.910 1.00 0.00 H new ATOM 0 HA GLU A 54 7.571 13.067 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.602 13.214 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.496 14.651 3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.298 13.331 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.092 12.132 1.490 1.00 0.00 H new ATOM 824 N ALA A 55 6.438 13.444 6.059 1.00 0.00 N ATOM 825 CA ALA A 55 6.672 14.129 7.324 1.00 0.00 C ATOM 826 C ALA A 55 8.101 13.912 7.809 1.00 0.00 C ATOM 827 O ALA A 55 8.716 14.811 8.384 1.00 0.00 O ATOM 828 CB ALA A 55 5.678 13.655 8.374 1.00 0.00 C ATOM 0 H ALA A 55 5.755 12.688 6.109 1.00 0.00 H new ATOM 0 HA ALA A 55 6.529 15.197 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.865 14.175 9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.664 13.868 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.792 12.582 8.525 1.00 0.00 H new ATOM 834 N VAL A 56 8.625 12.713 7.576 1.00 0.00 N ATOM 835 CA VAL A 56 9.982 12.377 7.989 1.00 0.00 C ATOM 836 C VAL A 56 10.927 12.340 6.793 1.00 0.00 C ATOM 837 O VAL A 56 10.812 11.475 5.925 1.00 0.00 O ATOM 838 CB VAL A 56 10.029 11.017 8.710 1.00 0.00 C ATOM 839 CG1 VAL A 56 9.169 11.047 9.964 1.00 0.00 C ATOM 840 CG2 VAL A 56 9.584 9.903 7.774 1.00 0.00 C ATOM 0 H VAL A 56 8.129 11.957 7.103 1.00 0.00 H new ATOM 0 HA VAL A 56 10.305 13.156 8.679 1.00 0.00 H new ATOM 0 HB VAL A 56 11.058 10.819 9.010 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.215 10.077 10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.538 11.818 10.640 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.137 11.267 9.692 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.623 8.949 8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.563 10.093 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.246 9.868 6.909 1.00 0.00 H new ATOM 850 N ASP A 57 11.862 13.283 6.755 1.00 0.00 N ATOM 851 CA ASP A 57 12.829 13.357 5.666 1.00 0.00 C ATOM 852 C ASP A 57 13.735 12.129 5.659 1.00 0.00 C ATOM 853 O ASP A 57 14.089 11.612 4.600 1.00 0.00 O ATOM 854 CB ASP A 57 13.672 14.627 5.790 1.00 0.00 C ATOM 855 CG ASP A 57 12.822 15.878 5.901 1.00 0.00 C ATOM 856 OD1 ASP A 57 12.419 16.417 4.848 1.00 0.00 O ATOM 857 OD2 ASP A 57 12.558 16.317 7.039 1.00 0.00 O ATOM 0 H ASP A 57 11.971 14.007 7.466 1.00 0.00 H new ATOM 0 HA ASP A 57 12.279 13.386 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.314 14.549 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.326 14.712 4.922 1.00 0.00 H new ATOM 862 N LYS A 58 14.108 11.669 6.849 1.00 0.00 N ATOM 863 CA LYS A 58 14.972 10.502 6.981 1.00 0.00 C ATOM 864 C LYS A 58 14.211 9.327 7.586 1.00 0.00 C ATOM 865 O LYS A 58 13.217 9.513 8.289 1.00 0.00 O ATOM 866 CB LYS A 58 16.187 10.838 7.850 1.00 0.00 C ATOM 867 CG LYS A 58 15.838 11.114 9.302 1.00 0.00 C ATOM 868 CD LYS A 58 16.783 12.133 9.918 1.00 0.00 C ATOM 869 CE LYS A 58 18.235 11.704 9.776 1.00 0.00 C ATOM 870 NZ LYS A 58 19.137 12.500 10.653 1.00 0.00 N ATOM 0 H LYS A 58 13.825 12.087 7.736 1.00 0.00 H new ATOM 0 HA LYS A 58 15.312 10.218 5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.895 10.010 7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.691 11.710 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.813 11.480 9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.882 10.185 9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.640 13.101 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.542 12.263 10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 58 18.327 10.647 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.547 11.816 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.118 12.177 10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 19.069 13.506 10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 18.856 12.373 11.646 1.00 0.00 H new ATOM 884 N CYS A 59 14.684 8.116 7.310 1.00 0.00 N ATOM 885 CA CYS A 59 14.049 6.910 7.828 1.00 0.00 C ATOM 886 C CYS A 59 13.875 6.994 9.341 1.00 0.00 C ATOM 887 O CYS A 59 14.835 7.157 10.094 1.00 0.00 O ATOM 888 CB CYS A 59 14.879 5.677 7.466 1.00 0.00 C ATOM 889 SG CYS A 59 14.043 4.093 7.802 1.00 0.00 S ATOM 0 H CYS A 59 15.505 7.944 6.730 1.00 0.00 H new ATOM 0 HA CYS A 59 13.063 6.823 7.371 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.136 5.723 6.408 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.816 5.706 8.023 1.00 0.00 H new ATOM 894 N PRO A 60 12.619 6.879 9.799 1.00 0.00 N ATOM 895 CA PRO A 60 12.288 6.938 11.226 1.00 0.00 C ATOM 896 C PRO A 60 12.782 5.712 11.986 1.00 0.00 C ATOM 897 O PRO A 60 12.524 5.565 13.181 1.00 0.00 O ATOM 898 CB PRO A 60 10.759 6.993 11.234 1.00 0.00 C ATOM 899 CG PRO A 60 10.350 6.347 9.955 1.00 0.00 C ATOM 900 CD PRO A 60 11.426 6.683 8.959 1.00 0.00 C ATOM 0 HA PRO A 60 12.760 7.787 11.719 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.348 6.464 12.094 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.400 8.021 11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 60 10.253 5.268 10.076 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.381 6.718 9.623 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.570 5.879 8.237 1.00 0.00 H new ATOM 0 HD3 PRO A 60 11.182 7.581 8.392 1.00 0.00 H new ATOM 908 N MET A 61 13.493 4.834 11.286 1.00 0.00 N ATOM 909 CA MET A 61 14.024 3.621 11.897 1.00 0.00 C ATOM 910 C MET A 61 15.528 3.512 11.671 1.00 0.00 C ATOM 911 O MET A 61 16.253 2.963 12.502 1.00 0.00 O ATOM 912 CB MET A 61 13.320 2.388 11.328 1.00 0.00 C ATOM 913 CG MET A 61 11.829 2.349 11.622 1.00 0.00 C ATOM 914 SD MET A 61 11.450 1.549 13.193 1.00 0.00 S ATOM 915 CE MET A 61 10.773 -0.009 12.625 1.00 0.00 C ATOM 0 H MET A 61 13.715 4.940 10.296 1.00 0.00 H new ATOM 0 HA MET A 61 13.839 3.673 12.970 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.470 2.360 10.249 1.00 0.00 H new ATOM 0 HB3 MET A 61 13.786 1.492 11.738 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.438 3.367 11.634 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.318 1.821 10.817 1.00 0.00 H new ATOM 0 HE1 MET A 61 10.885 -0.761 13.406 1.00 0.00 H new ATOM 0 HE2 MET A 61 9.716 0.117 12.392 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.306 -0.333 11.731 1.00 0.00 H new ATOM 925 N CYS A 62 15.992 4.037 10.542 1.00 0.00 N ATOM 926 CA CYS A 62 17.410 3.998 10.206 1.00 0.00 C ATOM 927 C CYS A 62 17.981 5.409 10.094 1.00 0.00 C ATOM 928 O CYS A 62 19.111 5.598 9.643 1.00 0.00 O ATOM 929 CB CYS A 62 17.623 3.244 8.892 1.00 0.00 C ATOM 930 SG CYS A 62 16.643 1.715 8.744 1.00 0.00 S ATOM 0 H CYS A 62 15.406 4.495 9.844 1.00 0.00 H new ATOM 0 HA CYS A 62 17.934 3.475 11.006 1.00 0.00 H new ATOM 0 HB2 CYS A 62 17.373 3.905 8.062 1.00 0.00 H new ATOM 0 HB3 CYS A 62 18.680 2.996 8.795 1.00 0.00 H new ATOM 935 N TYR A 63 17.193 6.394 10.509 1.00 0.00 N ATOM 936 CA TYR A 63 17.619 7.788 10.454 1.00 0.00 C ATOM 937 C TYR A 63 18.430 8.060 9.190 1.00 0.00 C ATOM 938 O TYR A 63 19.306 8.925 9.174 1.00 0.00 O ATOM 939 CB TYR A 63 18.448 8.139 11.690 1.00 0.00 C ATOM 940 CG TYR A 63 17.614 8.412 12.921 1.00 0.00 C ATOM 941 CD1 TYR A 63 16.636 7.516 13.335 1.00 0.00 C ATOM 942 CD2 TYR A 63 17.804 9.566 13.671 1.00 0.00 C ATOM 943 CE1 TYR A 63 15.871 7.762 14.458 1.00 0.00 C ATOM 944 CE2 TYR A 63 17.045 9.820 14.797 1.00 0.00 C ATOM 945 CZ TYR A 63 16.079 8.915 15.186 1.00 0.00 C ATOM 946 OH TYR A 63 15.320 9.163 16.307 1.00 0.00 O ATOM 0 H TYR A 63 16.256 6.254 10.887 1.00 0.00 H new ATOM 0 HA TYR A 63 16.727 8.414 10.434 1.00 0.00 H new ATOM 0 HB2 TYR A 63 19.135 7.319 11.901 1.00 0.00 H new ATOM 0 HB3 TYR A 63 19.057 9.017 11.472 1.00 0.00 H new ATOM 0 HD1 TYR A 63 16.471 6.611 12.769 1.00 0.00 H new ATOM 0 HD2 TYR A 63 18.558 10.277 13.368 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.114 7.055 14.765 1.00 0.00 H new ATOM 0 HE2 TYR A 63 17.207 10.722 15.369 1.00 0.00 H new ATOM 0 HH TYR A 63 15.593 10.016 16.705 1.00 0.00 H new ATOM 956 N THR A 64 18.130 7.315 8.130 1.00 0.00 N ATOM 957 CA THR A 64 18.829 7.474 6.862 1.00 0.00 C ATOM 958 C THR A 64 18.077 8.423 5.935 1.00 0.00 C ATOM 959 O THR A 64 17.032 8.073 5.388 1.00 0.00 O ATOM 960 CB THR A 64 19.017 6.121 6.150 1.00 0.00 C ATOM 961 OG1 THR A 64 19.912 5.293 6.901 1.00 0.00 O ATOM 962 CG2 THR A 64 19.562 6.320 4.744 1.00 0.00 C ATOM 0 H THR A 64 17.407 6.595 8.126 1.00 0.00 H new ATOM 0 HA THR A 64 19.808 7.894 7.092 1.00 0.00 H new ATOM 0 HB THR A 64 18.044 5.634 6.080 1.00 0.00 H new ATOM 0 HG1 THR A 64 19.712 5.378 7.857 1.00 0.00 H new ATOM 0 HG21 THR A 64 19.686 5.351 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.865 6.926 4.166 1.00 0.00 H new ATOM 0 HG23 THR A 64 20.526 6.826 4.796 1.00 0.00 H new ATOM 970 N VAL A 65 18.617 9.625 5.762 1.00 0.00 N ATOM 971 CA VAL A 65 17.998 10.624 4.899 1.00 0.00 C ATOM 972 C VAL A 65 17.392 9.979 3.658 1.00 0.00 C ATOM 973 O VAL A 65 18.084 9.298 2.900 1.00 0.00 O ATOM 974 CB VAL A 65 19.014 11.696 4.463 1.00 0.00 C ATOM 975 CG1 VAL A 65 18.363 12.697 3.520 1.00 0.00 C ATOM 976 CG2 VAL A 65 19.601 12.400 5.677 1.00 0.00 C ATOM 0 H VAL A 65 19.482 9.931 6.208 1.00 0.00 H new ATOM 0 HA VAL A 65 17.208 11.098 5.481 1.00 0.00 H new ATOM 0 HB VAL A 65 19.827 11.204 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 65 19.096 13.447 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 65 17.996 12.177 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.530 13.185 4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 65 20.317 13.154 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 65 18.801 12.880 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 65 20.106 11.671 6.311 1.00 0.00 H new ATOM 986 N ILE A 66 16.097 10.198 3.456 1.00 0.00 N ATOM 987 CA ILE A 66 15.399 9.638 2.305 1.00 0.00 C ATOM 988 C ILE A 66 15.598 10.506 1.067 1.00 0.00 C ATOM 989 O ILE A 66 14.853 11.459 0.836 1.00 0.00 O ATOM 990 CB ILE A 66 13.890 9.492 2.579 1.00 0.00 C ATOM 991 CG1 ILE A 66 13.659 8.741 3.892 1.00 0.00 C ATOM 992 CG2 ILE A 66 13.210 8.773 1.424 1.00 0.00 C ATOM 993 CD1 ILE A 66 12.400 9.165 4.616 1.00 0.00 C ATOM 0 H ILE A 66 15.510 10.759 4.074 1.00 0.00 H new ATOM 0 HA ILE A 66 15.825 8.651 2.126 1.00 0.00 H new ATOM 0 HB ILE A 66 13.453 10.487 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 66 13.608 7.672 3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.516 8.898 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.144 8.677 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.351 9.344 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.647 7.782 1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.300 8.592 5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.457 10.227 4.854 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.535 8.982 3.979 1.00 0.00 H new ATOM 1005 N THR A 67 16.607 10.168 0.270 1.00 0.00 N ATOM 1006 CA THR A 67 16.904 10.915 -0.946 1.00 0.00 C ATOM 1007 C THR A 67 16.149 10.343 -2.141 1.00 0.00 C ATOM 1008 O THR A 67 16.378 10.743 -3.282 1.00 0.00 O ATOM 1009 CB THR A 67 18.413 10.907 -1.255 1.00 0.00 C ATOM 1010 OG1 THR A 67 18.681 11.722 -2.402 1.00 0.00 O ATOM 1011 CG2 THR A 67 18.907 9.491 -1.507 1.00 0.00 C ATOM 0 H THR A 67 17.232 9.381 0.445 1.00 0.00 H new ATOM 0 HA THR A 67 16.581 11.942 -0.773 1.00 0.00 H new ATOM 0 HB THR A 67 18.941 11.310 -0.391 1.00 0.00 H new ATOM 0 HG1 THR A 67 17.918 11.683 -3.016 1.00 0.00 H new ATOM 0 HG21 THR A 67 19.975 9.511 -1.723 1.00 0.00 H new ATOM 0 HG22 THR A 67 18.727 8.880 -0.622 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.373 9.065 -2.357 1.00 0.00 H new ATOM 1019 N PHE A 68 15.247 9.405 -1.871 1.00 0.00 N ATOM 1020 CA PHE A 68 14.458 8.777 -2.924 1.00 0.00 C ATOM 1021 C PHE A 68 13.162 8.200 -2.363 1.00 0.00 C ATOM 1022 O PHE A 68 13.182 7.312 -1.510 1.00 0.00 O ATOM 1023 CB PHE A 68 15.267 7.673 -3.608 1.00 0.00 C ATOM 1024 CG PHE A 68 14.707 7.255 -4.937 1.00 0.00 C ATOM 1025 CD1 PHE A 68 14.908 8.034 -6.065 1.00 0.00 C ATOM 1026 CD2 PHE A 68 13.979 6.082 -5.059 1.00 0.00 C ATOM 1027 CE1 PHE A 68 14.393 7.651 -7.289 1.00 0.00 C ATOM 1028 CE2 PHE A 68 13.461 5.694 -6.280 1.00 0.00 C ATOM 1029 CZ PHE A 68 13.669 6.479 -7.397 1.00 0.00 C ATOM 0 H PHE A 68 15.044 9.063 -0.932 1.00 0.00 H new ATOM 0 HA PHE A 68 14.206 9.542 -3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 68 16.292 8.018 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 68 15.309 6.804 -2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 68 15.473 8.951 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.814 5.463 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.556 8.267 -8.161 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.894 4.778 -6.361 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.267 6.178 -8.353 1.00 0.00 H new ATOM 1039 N LYS A 69 12.035 8.711 -2.847 1.00 0.00 N ATOM 1040 CA LYS A 69 10.728 8.247 -2.395 1.00 0.00 C ATOM 1041 C LYS A 69 10.119 7.274 -3.400 1.00 0.00 C ATOM 1042 O LYS A 69 9.242 7.644 -4.181 1.00 0.00 O ATOM 1043 CB LYS A 69 9.788 9.435 -2.185 1.00 0.00 C ATOM 1044 CG LYS A 69 9.905 10.068 -0.809 1.00 0.00 C ATOM 1045 CD LYS A 69 11.193 10.860 -0.667 1.00 0.00 C ATOM 1046 CE LYS A 69 11.276 11.553 0.684 1.00 0.00 C ATOM 1047 NZ LYS A 69 12.505 12.384 0.807 1.00 0.00 N ATOM 0 H LYS A 69 12.000 9.447 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 69 10.862 7.726 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.997 10.191 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.760 9.106 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.052 10.725 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.869 9.291 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.047 10.193 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.254 11.603 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.397 12.182 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.262 10.805 1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.594 12.730 1.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.338 11.810 0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.443 13.194 0.158 1.00 0.00 H new ATOM 1061 N GLN A 70 10.589 6.031 -3.374 1.00 0.00 N ATOM 1062 CA GLN A 70 10.089 5.007 -4.282 1.00 0.00 C ATOM 1063 C GLN A 70 8.652 4.628 -3.938 1.00 0.00 C ATOM 1064 O GLN A 70 8.207 4.803 -2.804 1.00 0.00 O ATOM 1065 CB GLN A 70 10.982 3.766 -4.227 1.00 0.00 C ATOM 1066 CG GLN A 70 10.504 2.632 -5.120 1.00 0.00 C ATOM 1067 CD GLN A 70 10.310 3.065 -6.560 1.00 0.00 C ATOM 1068 OE1 GLN A 70 11.214 3.627 -7.179 1.00 0.00 O ATOM 1069 NE2 GLN A 70 9.126 2.806 -7.101 1.00 0.00 N ATOM 0 H GLN A 70 11.315 5.709 -2.734 1.00 0.00 H new ATOM 0 HA GLN A 70 10.106 5.415 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.995 4.044 -4.518 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.033 3.410 -3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.227 1.817 -5.084 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.563 2.241 -4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.405 2.338 -6.551 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.937 3.075 -8.067 1.00 0.00 H new ATOM 1078 N LYS A 71 7.929 4.109 -4.925 1.00 0.00 N ATOM 1079 CA LYS A 71 6.542 3.705 -4.728 1.00 0.00 C ATOM 1080 C LYS A 71 6.389 2.195 -4.880 1.00 0.00 C ATOM 1081 O LYS A 71 7.111 1.563 -5.652 1.00 0.00 O ATOM 1082 CB LYS A 71 5.633 4.424 -5.728 1.00 0.00 C ATOM 1083 CG LYS A 71 5.287 5.845 -5.321 1.00 0.00 C ATOM 1084 CD LYS A 71 4.995 6.716 -6.531 1.00 0.00 C ATOM 1085 CE LYS A 71 3.875 7.705 -6.250 1.00 0.00 C ATOM 1086 NZ LYS A 71 4.392 8.987 -5.694 1.00 0.00 N ATOM 0 H LYS A 71 8.281 3.958 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 71 6.249 3.982 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.121 4.443 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.712 3.853 -5.844 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.419 5.834 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.113 6.274 -4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.897 7.258 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.721 6.085 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.327 7.904 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.168 7.263 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.597 9.634 -5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.893 8.801 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.047 9.422 -6.375 1.00 0.00 H new ATOM 1100 N ILE A 72 5.444 1.623 -4.141 1.00 0.00 N ATOM 1101 CA ILE A 72 5.195 0.188 -4.197 1.00 0.00 C ATOM 1102 C ILE A 72 3.757 -0.105 -4.610 1.00 0.00 C ATOM 1103 O ILE A 72 3.500 -1.006 -5.409 1.00 0.00 O ATOM 1104 CB ILE A 72 5.475 -0.485 -2.840 1.00 0.00 C ATOM 1105 CG1 ILE A 72 4.779 0.282 -1.713 1.00 0.00 C ATOM 1106 CG2 ILE A 72 6.973 -0.565 -2.587 1.00 0.00 C ATOM 1107 CD1 ILE A 72 5.241 -0.124 -0.331 1.00 0.00 C ATOM 0 H ILE A 72 4.838 2.131 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 72 5.875 -0.221 -4.944 1.00 0.00 H new ATOM 0 HB ILE A 72 5.076 -1.499 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.956 1.349 -1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.703 0.125 -1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.154 -1.043 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.445 -1.149 -3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.395 0.440 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.706 0.460 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.039 -1.184 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.311 0.059 -0.237 1.00 0.00 H new ATOM 1119 N PHE A 73 2.821 0.664 -4.062 1.00 0.00 N ATOM 1120 CA PHE A 73 1.408 0.488 -4.374 1.00 0.00 C ATOM 1121 C PHE A 73 0.989 -0.969 -4.198 1.00 0.00 C ATOM 1122 O PHE A 73 0.431 -1.580 -5.108 1.00 0.00 O ATOM 1123 CB PHE A 73 1.120 0.943 -5.806 1.00 0.00 C ATOM 1124 CG PHE A 73 1.204 2.431 -5.991 1.00 0.00 C ATOM 1125 CD1 PHE A 73 0.461 3.285 -5.191 1.00 0.00 C ATOM 1126 CD2 PHE A 73 2.026 2.977 -6.963 1.00 0.00 C ATOM 1127 CE1 PHE A 73 0.536 4.654 -5.359 1.00 0.00 C ATOM 1128 CE2 PHE A 73 2.106 4.346 -7.135 1.00 0.00 C ATOM 1129 CZ PHE A 73 1.360 5.186 -6.331 1.00 0.00 C ATOM 0 H PHE A 73 3.016 1.415 -3.400 1.00 0.00 H new ATOM 0 HA PHE A 73 0.830 1.100 -3.682 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.827 0.461 -6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.124 0.605 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.184 2.875 -4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.612 2.325 -7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.050 5.308 -4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.751 4.759 -7.897 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.421 6.256 -6.462 1.00 0.00 H new ATOM 1139 N MET A 74 1.264 -1.519 -3.020 1.00 0.00 N ATOM 1140 CA MET A 74 0.916 -2.904 -2.723 1.00 0.00 C ATOM 1141 C MET A 74 -0.460 -3.250 -3.282 1.00 0.00 C ATOM 1142 O MET A 74 -0.637 -4.284 -3.925 1.00 0.00 O ATOM 1143 CB MET A 74 0.942 -3.146 -1.213 1.00 0.00 C ATOM 1144 CG MET A 74 2.338 -3.101 -0.613 1.00 0.00 C ATOM 1145 SD MET A 74 3.449 -4.316 -1.348 1.00 0.00 S ATOM 1146 CE MET A 74 4.869 -4.175 -0.266 1.00 0.00 C ATOM 0 H MET A 74 1.727 -1.027 -2.256 1.00 0.00 H new ATOM 0 HA MET A 74 1.655 -3.549 -3.199 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.321 -2.397 -0.723 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.496 -4.118 -1.002 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.756 -2.103 -0.749 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.274 -3.276 0.461 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.384 -5.134 -0.214 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.550 -3.418 -0.656 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.539 -3.886 0.732 1.00 0.00 H new ATOM 1156 N SER A 75 -1.432 -2.378 -3.032 1.00 0.00 N ATOM 1157 CA SER A 75 -2.794 -2.594 -3.507 1.00 0.00 C ATOM 1158 C SER A 75 -3.141 -1.614 -4.624 1.00 0.00 C ATOM 1159 O SER A 75 -2.872 -0.422 -4.486 1.00 0.00 O ATOM 1160 CB SER A 75 -3.788 -2.444 -2.354 1.00 0.00 C ATOM 1161 OG SER A 75 -5.118 -2.359 -2.836 1.00 0.00 O ATOM 0 H SER A 75 -1.302 -1.515 -2.503 1.00 0.00 H new ATOM 0 HA SER A 75 -2.859 -3.607 -3.903 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.696 -3.294 -1.678 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.549 -1.551 -1.777 1.00 0.00 H new ATOM 0 HG SER A 75 -5.735 -2.265 -2.080 1.00 0.00 H new TER 1167 SER A 75 HETATM 1168 ZN ZN A 201 1.592 6.743 8.258 1.00 0.00 ZN HETATM 1169 ZN ZN A 401 15.275 2.327 6.865 1.00 0.00 ZN