USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00753 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 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HE2:sc= 0.0782 K(o=0.078,f=-1.7) USER MOD Single : A 18 SER OG : rot 21:sc= 0.508 USER MOD Single : A 19 GLN : amide:sc= -0.838 K(o=-0.84,f=-4.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= -0.0349 (180deg=-0.0473) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 167:sc=-0.00547 (180deg=-0.178) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.959 USER MOD Single : A 41 MET CE :methyl -177:sc= -4.84! (180deg=-4.96!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0141) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0513 USER MOD Single : A 51 GLN : amide:sc= -4.33! C(o=-4.3!,f=-11!) USER MOD Single : A 56 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.58) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0126 K(o=-0.013,f=-0.65) USER MOD Single : A 63 SER OG : rot 34:sc= 0.437 USER MOD Single : A 65 LYS NZ :NH3+ -145:sc=-0.00771 (180deg=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 14:sc= 0.782 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.05 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.453 -10.703 25.048 1.00 0.00 N ATOM 2 CA GLY A 1 -24.590 -11.024 23.639 1.00 0.00 C ATOM 3 C GLY A 1 -25.893 -11.733 23.329 1.00 0.00 C ATOM 4 O GLY A 1 -26.129 -12.846 23.801 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.546 -10.220 25.207 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.233 -10.080 25.340 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.481 -11.579 25.608 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.531 -10.107 23.053 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.755 -11.653 23.330 1.00 0.00 H new ATOM 8 N SER A 2 -26.742 -11.089 22.536 1.00 0.00 N ATOM 9 CA SER A 2 -28.031 -11.663 22.168 1.00 0.00 C ATOM 10 C SER A 2 -28.613 -10.957 20.947 1.00 0.00 C ATOM 11 O SER A 2 -28.334 -9.783 20.705 1.00 0.00 O ATOM 12 CB SER A 2 -29.009 -11.567 23.341 1.00 0.00 C ATOM 13 OG SER A 2 -30.329 -11.880 22.931 1.00 0.00 O ATOM 0 H SER A 2 -26.561 -10.169 22.135 1.00 0.00 H new ATOM 0 HA SER A 2 -27.875 -12.712 21.918 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.700 -12.249 24.133 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.983 -10.560 23.758 1.00 0.00 H new ATOM 0 HG SER A 2 -30.934 -11.813 23.699 1.00 0.00 H new ATOM 19 N SER A 3 -29.422 -11.682 20.182 1.00 0.00 N ATOM 20 CA SER A 3 -30.040 -11.127 18.983 1.00 0.00 C ATOM 21 C SER A 3 -31.106 -10.098 19.348 1.00 0.00 C ATOM 22 O SER A 3 -32.021 -10.382 20.120 1.00 0.00 O ATOM 23 CB SER A 3 -30.661 -12.243 18.141 1.00 0.00 C ATOM 24 OG SER A 3 -30.976 -11.784 16.838 1.00 0.00 O ATOM 0 H SER A 3 -29.665 -12.655 20.371 1.00 0.00 H new ATOM 0 HA SER A 3 -29.264 -10.630 18.401 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.969 -13.082 18.077 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.564 -12.611 18.628 1.00 0.00 H new ATOM 0 HG SER A 3 -31.370 -12.516 16.319 1.00 0.00 H new ATOM 30 N GLY A 4 -30.980 -8.900 18.786 1.00 0.00 N ATOM 31 CA GLY A 4 -31.938 -7.846 19.064 1.00 0.00 C ATOM 32 C GLY A 4 -32.564 -7.285 17.802 1.00 0.00 C ATOM 33 O GLY A 4 -32.665 -7.977 16.790 1.00 0.00 O ATOM 0 H GLY A 4 -30.232 -8.640 18.143 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.722 -8.234 19.714 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.442 -7.042 19.608 1.00 0.00 H new ATOM 37 N SER A 5 -32.988 -6.026 17.863 1.00 0.00 N ATOM 38 CA SER A 5 -33.613 -5.374 16.719 1.00 0.00 C ATOM 39 C SER A 5 -32.707 -5.443 15.493 1.00 0.00 C ATOM 40 O SER A 5 -31.484 -5.514 15.614 1.00 0.00 O ATOM 41 CB SER A 5 -33.933 -3.915 17.049 1.00 0.00 C ATOM 42 OG SER A 5 -35.003 -3.824 17.974 1.00 0.00 O ATOM 0 H SER A 5 -32.910 -5.438 18.693 1.00 0.00 H new ATOM 0 HA SER A 5 -34.541 -5.900 16.494 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.049 -3.430 17.462 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.192 -3.380 16.135 1.00 0.00 H new ATOM 0 HG SER A 5 -35.187 -2.882 18.170 1.00 0.00 H new ATOM 48 N SER A 6 -33.317 -5.420 14.312 1.00 0.00 N ATOM 49 CA SER A 6 -32.568 -5.484 13.063 1.00 0.00 C ATOM 50 C SER A 6 -31.532 -4.366 12.993 1.00 0.00 C ATOM 51 O SER A 6 -31.801 -3.231 13.384 1.00 0.00 O ATOM 52 CB SER A 6 -33.518 -5.390 11.868 1.00 0.00 C ATOM 53 OG SER A 6 -33.925 -4.051 11.645 1.00 0.00 O ATOM 0 H SER A 6 -34.328 -5.357 14.194 1.00 0.00 H new ATOM 0 HA SER A 6 -32.047 -6.441 13.029 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.025 -5.777 10.976 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.393 -6.015 12.045 1.00 0.00 H new ATOM 0 HG SER A 6 -34.530 -4.017 10.875 1.00 0.00 H new ATOM 59 N GLY A 7 -30.346 -4.697 12.492 1.00 0.00 N ATOM 60 CA GLY A 7 -29.287 -3.711 12.380 1.00 0.00 C ATOM 61 C GLY A 7 -29.786 -2.381 11.850 1.00 0.00 C ATOM 62 O GLY A 7 -30.321 -2.306 10.743 1.00 0.00 O ATOM 0 H GLY A 7 -30.100 -5.630 12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.830 -3.560 13.358 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.508 -4.092 11.720 1.00 0.00 H new ATOM 66 N LYS A 8 -29.614 -1.328 12.642 1.00 0.00 N ATOM 67 CA LYS A 8 -30.051 0.006 12.247 1.00 0.00 C ATOM 68 C LYS A 8 -28.855 0.916 11.990 1.00 0.00 C ATOM 69 O LYS A 8 -28.758 1.547 10.938 1.00 0.00 O ATOM 70 CB LYS A 8 -30.945 0.613 13.331 1.00 0.00 C ATOM 71 CG LYS A 8 -31.295 2.070 13.085 1.00 0.00 C ATOM 72 CD LYS A 8 -32.587 2.459 13.783 1.00 0.00 C ATOM 73 CE LYS A 8 -33.074 3.828 13.332 1.00 0.00 C ATOM 74 NZ LYS A 8 -34.305 4.245 14.059 1.00 0.00 N ATOM 0 H LYS A 8 -29.175 -1.373 13.562 1.00 0.00 H new ATOM 0 HA LYS A 8 -30.621 -0.084 11.322 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -31.866 0.033 13.398 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -30.443 0.526 14.295 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -30.483 2.705 13.440 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -31.392 2.246 12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -33.353 1.712 13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -32.432 2.464 14.862 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -32.288 4.565 13.496 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -33.274 3.808 12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -34.605 5.183 13.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -35.063 3.555 13.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -34.108 4.289 15.079 1.00 0.00 H new ATOM 88 N ARG A 9 -27.946 0.979 12.958 1.00 0.00 N ATOM 89 CA ARG A 9 -26.756 1.812 12.835 1.00 0.00 C ATOM 90 C ARG A 9 -25.905 1.374 11.647 1.00 0.00 C ATOM 91 O ARG A 9 -25.113 0.437 11.751 1.00 0.00 O ATOM 92 CB ARG A 9 -25.928 1.749 14.120 1.00 0.00 C ATOM 93 CG ARG A 9 -26.517 2.557 15.265 1.00 0.00 C ATOM 94 CD ARG A 9 -25.472 2.863 16.326 1.00 0.00 C ATOM 95 NE ARG A 9 -25.102 1.674 17.089 1.00 0.00 N ATOM 96 CZ ARG A 9 -24.553 1.717 18.298 1.00 0.00 C ATOM 97 NH1 ARG A 9 -24.314 2.884 18.879 1.00 0.00 N ATOM 98 NH2 ARG A 9 -24.244 0.591 18.928 1.00 0.00 N ATOM 0 H ARG A 9 -28.011 0.463 13.836 1.00 0.00 H new ATOM 0 HA ARG A 9 -27.079 2.840 12.669 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -25.835 0.709 14.431 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -24.921 2.111 13.911 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -26.929 3.489 14.879 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -27.343 2.005 15.714 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -24.584 3.279 15.851 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -25.857 3.624 17.005 1.00 0.00 H new ATOM 0 HE ARG A 9 -25.275 0.760 16.671 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -24.552 3.751 18.398 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.892 2.915 19.807 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -24.428 -0.309 18.484 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -23.823 0.625 19.856 1.00 0.00 H new ATOM 112 N GLN A 10 -26.075 2.057 10.520 1.00 0.00 N ATOM 113 CA GLN A 10 -25.323 1.736 9.312 1.00 0.00 C ATOM 114 C GLN A 10 -24.636 2.978 8.753 1.00 0.00 C ATOM 115 O GLN A 10 -25.294 3.946 8.372 1.00 0.00 O ATOM 116 CB GLN A 10 -26.249 1.131 8.255 1.00 0.00 C ATOM 117 CG GLN A 10 -25.508 0.489 7.094 1.00 0.00 C ATOM 118 CD GLN A 10 -26.435 0.073 5.969 1.00 0.00 C ATOM 119 OE1 GLN A 10 -26.290 0.522 4.831 1.00 0.00 O ATOM 120 NE2 GLN A 10 -27.396 -0.789 6.281 1.00 0.00 N ATOM 0 H GLN A 10 -26.726 2.836 10.418 1.00 0.00 H new ATOM 0 HA GLN A 10 -24.557 1.006 9.574 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -26.886 0.383 8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -26.905 1.911 7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -24.767 1.190 6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -24.964 -0.385 7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -27.480 -1.136 7.237 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -28.050 -1.104 5.565 1.00 0.00 H new ATOM 129 N LYS A 11 -23.309 2.943 8.707 1.00 0.00 N ATOM 130 CA LYS A 11 -22.531 4.064 8.194 1.00 0.00 C ATOM 131 C LYS A 11 -21.686 3.638 6.998 1.00 0.00 C ATOM 132 O LYS A 11 -20.517 4.010 6.888 1.00 0.00 O ATOM 133 CB LYS A 11 -21.630 4.632 9.292 1.00 0.00 C ATOM 134 CG LYS A 11 -22.391 5.349 10.394 1.00 0.00 C ATOM 135 CD LYS A 11 -22.937 4.373 11.422 1.00 0.00 C ATOM 136 CE LYS A 11 -23.799 5.077 12.457 1.00 0.00 C ATOM 137 NZ LYS A 11 -22.978 5.701 13.532 1.00 0.00 N ATOM 0 H LYS A 11 -22.749 2.150 9.019 1.00 0.00 H new ATOM 0 HA LYS A 11 -23.227 4.837 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -21.051 3.820 9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.918 5.325 8.844 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -21.732 6.065 10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -23.213 5.918 9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -23.525 3.605 10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -22.110 3.867 11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -24.400 5.844 11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -24.493 4.362 12.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -23.603 6.171 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -22.423 4.966 14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -22.334 6.402 13.114 1.00 0.00 H new ATOM 151 N ILE A 12 -22.284 2.858 6.104 1.00 0.00 N ATOM 152 CA ILE A 12 -21.586 2.384 4.915 1.00 0.00 C ATOM 153 C ILE A 12 -21.819 3.318 3.732 1.00 0.00 C ATOM 154 O ILE A 12 -22.936 3.429 3.226 1.00 0.00 O ATOM 155 CB ILE A 12 -22.034 0.962 4.529 1.00 0.00 C ATOM 156 CG1 ILE A 12 -21.788 -0.006 5.688 1.00 0.00 C ATOM 157 CG2 ILE A 12 -21.301 0.498 3.279 1.00 0.00 C ATOM 158 CD1 ILE A 12 -22.575 -1.293 5.576 1.00 0.00 C ATOM 0 H ILE A 12 -23.250 2.541 6.180 1.00 0.00 H new ATOM 0 HA ILE A 12 -20.524 2.368 5.158 1.00 0.00 H new ATOM 0 HB ILE A 12 -23.103 0.978 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -20.725 -0.242 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -22.046 0.488 6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -21.628 -0.509 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -21.522 1.176 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -20.227 0.494 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -22.352 -1.931 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -23.641 -1.067 5.560 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -22.300 -1.809 4.656 1.00 0.00 H new ATOM 170 N HIS A 13 -20.756 3.986 3.294 1.00 0.00 N ATOM 171 CA HIS A 13 -20.844 4.909 2.168 1.00 0.00 C ATOM 172 C HIS A 13 -20.348 4.249 0.885 1.00 0.00 C ATOM 173 O HIS A 13 -19.801 3.145 0.913 1.00 0.00 O ATOM 174 CB HIS A 13 -20.032 6.172 2.453 1.00 0.00 C ATOM 175 CG HIS A 13 -18.596 5.901 2.779 1.00 0.00 C ATOM 176 ND1 HIS A 13 -17.597 5.890 1.829 1.00 0.00 N ATOM 177 CD2 HIS A 13 -17.992 5.630 3.960 1.00 0.00 C ATOM 178 CE1 HIS A 13 -16.441 5.622 2.410 1.00 0.00 C ATOM 179 NE2 HIS A 13 -16.654 5.461 3.704 1.00 0.00 N ATOM 0 H HIS A 13 -19.824 3.905 3.702 1.00 0.00 H new ATOM 0 HA HIS A 13 -21.891 5.182 2.034 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -20.081 6.829 1.585 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -20.490 6.708 3.284 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -17.730 6.062 0.832 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -18.473 5.560 4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -15.485 5.547 1.912 1.00 0.00 H new ATOM 187 N LEU A 14 -20.542 4.931 -0.238 1.00 0.00 N ATOM 188 CA LEU A 14 -20.115 4.411 -1.532 1.00 0.00 C ATOM 189 C LEU A 14 -18.602 4.227 -1.573 1.00 0.00 C ATOM 190 O LEU A 14 -17.873 4.815 -0.775 1.00 0.00 O ATOM 191 CB LEU A 14 -20.556 5.353 -2.654 1.00 0.00 C ATOM 192 CG LEU A 14 -20.846 4.700 -4.005 1.00 0.00 C ATOM 193 CD1 LEU A 14 -22.199 4.006 -3.983 1.00 0.00 C ATOM 194 CD2 LEU A 14 -20.793 5.734 -5.120 1.00 0.00 C ATOM 0 H LEU A 14 -20.992 5.845 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 14 -20.585 3.438 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.453 5.879 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.780 6.105 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 14 -20.079 3.950 -4.196 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.388 3.547 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -22.201 3.237 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -22.979 4.736 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.002 5.251 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -21.538 6.508 -4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.801 6.185 -5.151 1.00 0.00 H new ATOM 206 N GLY A 15 -18.135 3.407 -2.510 1.00 0.00 N ATOM 207 CA GLY A 15 -16.710 3.161 -2.638 1.00 0.00 C ATOM 208 C GLY A 15 -16.234 3.248 -4.075 1.00 0.00 C ATOM 209 O GLY A 15 -15.849 2.242 -4.670 1.00 0.00 O ATOM 0 H GLY A 15 -18.718 2.909 -3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -16.164 3.885 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.478 2.173 -2.241 1.00 0.00 H new ATOM 213 N ASP A 16 -16.262 4.453 -4.633 1.00 0.00 N ATOM 214 CA ASP A 16 -15.830 4.668 -6.010 1.00 0.00 C ATOM 215 C ASP A 16 -14.395 5.183 -6.055 1.00 0.00 C ATOM 216 O ASP A 16 -13.558 4.656 -6.789 1.00 0.00 O ATOM 217 CB ASP A 16 -16.763 5.656 -6.711 1.00 0.00 C ATOM 218 CG ASP A 16 -16.186 6.172 -8.014 1.00 0.00 C ATOM 219 OD1 ASP A 16 -16.091 5.380 -8.976 1.00 0.00 O ATOM 220 OD2 ASP A 16 -15.829 7.367 -8.073 1.00 0.00 O ATOM 0 H ASP A 16 -16.579 5.296 -4.154 1.00 0.00 H new ATOM 0 HA ASP A 16 -15.870 3.712 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.719 5.171 -6.907 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.962 6.497 -6.047 1.00 0.00 H new ATOM 225 N ARG A 17 -14.118 6.217 -5.267 1.00 0.00 N ATOM 226 CA ARG A 17 -12.785 6.806 -5.219 1.00 0.00 C ATOM 227 C ARG A 17 -11.712 5.736 -5.398 1.00 0.00 C ATOM 228 O ARG A 17 -10.706 5.958 -6.073 1.00 0.00 O ATOM 229 CB ARG A 17 -12.575 7.538 -3.892 1.00 0.00 C ATOM 230 CG ARG A 17 -13.144 8.947 -3.877 1.00 0.00 C ATOM 231 CD ARG A 17 -13.556 9.366 -2.474 1.00 0.00 C ATOM 232 NE ARG A 17 -14.674 10.306 -2.490 1.00 0.00 N ATOM 233 CZ ARG A 17 -15.253 10.776 -1.391 1.00 0.00 C ATOM 234 NH1 ARG A 17 -14.822 10.397 -0.196 1.00 0.00 N ATOM 235 NH2 ARG A 17 -16.265 11.629 -1.487 1.00 0.00 N ATOM 0 H ARG A 17 -14.799 6.664 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.701 7.521 -6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.037 6.960 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.507 7.584 -3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.401 9.645 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.006 9.000 -4.542 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.833 8.483 -1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.706 9.823 -1.968 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.029 10.618 -3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.043 9.743 -0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.269 10.760 0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.598 11.924 -2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.710 11.990 -0.643 1.00 0.00 H new ATOM 249 N SER A 18 -11.933 4.576 -4.789 1.00 0.00 N ATOM 250 CA SER A 18 -10.983 3.473 -4.877 1.00 0.00 C ATOM 251 C SER A 18 -10.402 3.368 -6.284 1.00 0.00 C ATOM 252 O SER A 18 -11.137 3.238 -7.262 1.00 0.00 O ATOM 253 CB SER A 18 -11.660 2.156 -4.493 1.00 0.00 C ATOM 254 OG SER A 18 -12.632 1.783 -5.455 1.00 0.00 O ATOM 0 H SER A 18 -12.762 4.375 -4.229 1.00 0.00 H new ATOM 0 HA SER A 18 -10.169 3.671 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.910 1.370 -4.405 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.131 2.257 -3.515 1.00 0.00 H new ATOM 0 HG SER A 18 -12.442 2.234 -6.304 1.00 0.00 H new ATOM 260 N GLN A 19 -9.077 3.426 -6.376 1.00 0.00 N ATOM 261 CA GLN A 19 -8.397 3.338 -7.663 1.00 0.00 C ATOM 262 C GLN A 19 -7.449 2.143 -7.697 1.00 0.00 C ATOM 263 O GLN A 19 -6.881 1.758 -6.675 1.00 0.00 O ATOM 264 CB GLN A 19 -7.622 4.627 -7.944 1.00 0.00 C ATOM 265 CG GLN A 19 -7.260 4.812 -9.408 1.00 0.00 C ATOM 266 CD GLN A 19 -8.449 5.214 -10.258 1.00 0.00 C ATOM 267 OE1 GLN A 19 -9.563 4.730 -10.056 1.00 0.00 O ATOM 268 NE2 GLN A 19 -8.219 6.105 -11.215 1.00 0.00 N ATOM 0 H GLN A 19 -8.454 3.533 -5.576 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.153 3.201 -8.436 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.218 5.478 -7.615 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.708 4.629 -7.349 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.484 5.573 -9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.840 3.883 -9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.280 6.480 -11.347 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.981 6.414 -11.818 1.00 0.00 H new ATOM 277 N LYS A 20 -7.282 1.560 -8.879 1.00 0.00 N ATOM 278 CA LYS A 20 -6.402 0.410 -9.048 1.00 0.00 C ATOM 279 C LYS A 20 -4.990 0.854 -9.415 1.00 0.00 C ATOM 280 O LYS A 20 -4.785 1.547 -10.412 1.00 0.00 O ATOM 281 CB LYS A 20 -6.952 -0.524 -10.130 1.00 0.00 C ATOM 282 CG LYS A 20 -5.950 -1.563 -10.602 1.00 0.00 C ATOM 283 CD LYS A 20 -6.645 -2.786 -11.177 1.00 0.00 C ATOM 284 CE LYS A 20 -6.919 -3.828 -10.103 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.972 -4.794 -10.523 1.00 0.00 N ATOM 0 H LYS A 20 -7.745 1.865 -9.735 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.360 -0.126 -8.100 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.836 -1.032 -9.745 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.274 0.072 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.298 -1.125 -11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.315 -1.862 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.584 -2.487 -11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.026 -3.223 -11.960 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.999 -4.368 -9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.229 -3.330 -9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.130 -5.488 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.857 -4.282 -10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.666 -5.288 -11.385 1.00 0.00 H new ATOM 299 N CYS A 21 -4.018 0.450 -8.603 1.00 0.00 N ATOM 300 CA CYS A 21 -2.625 0.805 -8.842 1.00 0.00 C ATOM 301 C CYS A 21 -2.132 0.216 -10.161 1.00 0.00 C ATOM 302 O CYS A 21 -2.719 -0.727 -10.689 1.00 0.00 O ATOM 303 CB CYS A 21 -1.746 0.313 -7.691 1.00 0.00 C ATOM 304 SG CYS A 21 -0.008 0.845 -7.801 1.00 0.00 S ATOM 0 H CYS A 21 -4.170 -0.124 -7.774 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.558 1.891 -8.902 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.165 0.670 -6.750 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.780 -0.776 -7.662 1.00 0.00 H new ATOM 309 N SER A 22 -1.048 0.780 -10.686 1.00 0.00 N ATOM 310 CA SER A 22 -0.478 0.313 -11.944 1.00 0.00 C ATOM 311 C SER A 22 0.820 -0.451 -11.702 1.00 0.00 C ATOM 312 O SER A 22 1.156 -1.378 -12.439 1.00 0.00 O ATOM 313 CB SER A 22 -0.220 1.495 -12.881 1.00 0.00 C ATOM 314 OG SER A 22 0.127 1.049 -14.181 1.00 0.00 O ATOM 0 H SER A 22 -0.548 1.560 -10.260 1.00 0.00 H new ATOM 0 HA SER A 22 -1.195 -0.362 -12.411 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.110 2.122 -12.934 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.583 2.113 -12.479 1.00 0.00 H new ATOM 0 HG SER A 22 0.285 1.823 -14.761 1.00 0.00 H new ATOM 320 N LYS A 23 1.547 -0.055 -10.663 1.00 0.00 N ATOM 321 CA LYS A 23 2.809 -0.701 -10.319 1.00 0.00 C ATOM 322 C LYS A 23 2.570 -2.110 -9.786 1.00 0.00 C ATOM 323 O LYS A 23 2.995 -3.094 -10.391 1.00 0.00 O ATOM 324 CB LYS A 23 3.564 0.129 -9.279 1.00 0.00 C ATOM 325 CG LYS A 23 4.859 -0.513 -8.813 1.00 0.00 C ATOM 326 CD LYS A 23 5.749 0.486 -8.092 1.00 0.00 C ATOM 327 CE LYS A 23 6.966 -0.192 -7.480 1.00 0.00 C ATOM 328 NZ LYS A 23 7.579 0.636 -6.405 1.00 0.00 N ATOM 0 H LYS A 23 1.284 0.711 -10.043 1.00 0.00 H new ATOM 0 HA LYS A 23 3.412 -0.771 -11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.785 1.110 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.917 0.291 -8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.634 -1.347 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.392 -0.924 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.074 1.257 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.178 0.986 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.676 -1.160 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.705 -0.383 -8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.470 0.198 -6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.771 1.591 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.925 0.698 -5.599 1.00 0.00 H new ATOM 342 N CYS A 24 1.887 -2.199 -8.649 1.00 0.00 N ATOM 343 CA CYS A 24 1.591 -3.487 -8.034 1.00 0.00 C ATOM 344 C CYS A 24 0.221 -3.997 -8.471 1.00 0.00 C ATOM 345 O CYS A 24 0.052 -5.178 -8.770 1.00 0.00 O ATOM 346 CB CYS A 24 1.642 -3.372 -6.509 1.00 0.00 C ATOM 347 SG CYS A 24 0.254 -2.439 -5.788 1.00 0.00 S ATOM 0 H CYS A 24 1.528 -1.394 -8.135 1.00 0.00 H new ATOM 0 HA CYS A 24 2.347 -4.200 -8.363 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.654 -4.374 -6.080 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.577 -2.891 -6.223 1.00 0.00 H new ATOM 352 N GLY A 25 -0.756 -3.095 -8.505 1.00 0.00 N ATOM 353 CA GLY A 25 -2.099 -3.472 -8.907 1.00 0.00 C ATOM 354 C GLY A 25 -3.003 -3.747 -7.721 1.00 0.00 C ATOM 355 O GLY A 25 -3.873 -4.616 -7.784 1.00 0.00 O ATOM 0 H GLY A 25 -0.641 -2.111 -8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.531 -2.675 -9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.051 -4.360 -9.537 1.00 0.00 H new ATOM 359 N ILE A 26 -2.797 -3.006 -6.638 1.00 0.00 N ATOM 360 CA ILE A 26 -3.599 -3.175 -5.433 1.00 0.00 C ATOM 361 C ILE A 26 -4.728 -2.152 -5.377 1.00 0.00 C ATOM 362 O ILE A 26 -4.675 -1.116 -6.041 1.00 0.00 O ATOM 363 CB ILE A 26 -2.741 -3.046 -4.161 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.505 -3.576 -2.947 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.331 -1.597 -3.944 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.677 -3.618 -1.682 1.00 0.00 C ATOM 0 H ILE A 26 -2.081 -2.282 -6.570 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.022 -4.179 -5.474 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.839 -3.644 -4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.381 -2.950 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.869 -4.580 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.725 -1.522 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.752 -1.251 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.222 -0.979 -3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.284 -4.004 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.815 -4.268 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.335 -2.612 -1.437 1.00 0.00 H new ATOM 378 N ILE A 27 -5.748 -2.447 -4.578 1.00 0.00 N ATOM 379 CA ILE A 27 -6.889 -1.551 -4.432 1.00 0.00 C ATOM 380 C ILE A 27 -6.684 -0.585 -3.271 1.00 0.00 C ATOM 381 O ILE A 27 -6.510 -1.002 -2.125 1.00 0.00 O ATOM 382 CB ILE A 27 -8.196 -2.335 -4.209 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.472 -3.258 -5.398 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.358 -1.377 -3.994 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.799 -2.516 -6.675 1.00 0.00 C ATOM 0 H ILE A 27 -5.808 -3.300 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.968 -0.987 -5.361 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.086 -2.949 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.600 -3.890 -5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.302 -3.920 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.275 -1.946 -3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.162 -0.758 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.471 -0.740 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.983 -3.233 -7.475 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.689 -1.905 -6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.961 -1.875 -6.948 1.00 0.00 H new ATOM 397 N PHE A 28 -6.708 0.709 -3.573 1.00 0.00 N ATOM 398 CA PHE A 28 -6.526 1.736 -2.554 1.00 0.00 C ATOM 399 C PHE A 28 -7.452 2.922 -2.806 1.00 0.00 C ATOM 400 O PHE A 28 -8.115 2.997 -3.841 1.00 0.00 O ATOM 401 CB PHE A 28 -5.070 2.207 -2.529 1.00 0.00 C ATOM 402 CG PHE A 28 -4.693 3.053 -3.711 1.00 0.00 C ATOM 403 CD1 PHE A 28 -4.923 4.420 -3.703 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.109 2.482 -4.830 1.00 0.00 C ATOM 405 CE1 PHE A 28 -4.577 5.200 -4.790 1.00 0.00 C ATOM 406 CE2 PHE A 28 -3.761 3.258 -5.920 1.00 0.00 C ATOM 407 CZ PHE A 28 -3.995 4.619 -5.899 1.00 0.00 C ATOM 0 H PHE A 28 -6.852 1.071 -4.516 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.777 1.301 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.896 2.775 -1.615 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.415 1.336 -2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.377 4.880 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.923 1.418 -4.851 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.762 6.264 -4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.307 2.801 -6.787 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.723 5.228 -6.749 1.00 0.00 H new ATOM 417 N ILE A 29 -7.491 3.847 -1.853 1.00 0.00 N ATOM 418 CA ILE A 29 -8.335 5.030 -1.971 1.00 0.00 C ATOM 419 C ILE A 29 -7.505 6.266 -2.302 1.00 0.00 C ATOM 420 O ILE A 29 -6.718 6.736 -1.480 1.00 0.00 O ATOM 421 CB ILE A 29 -9.127 5.288 -0.676 1.00 0.00 C ATOM 422 CG1 ILE A 29 -9.916 4.040 -0.278 1.00 0.00 C ATOM 423 CG2 ILE A 29 -10.060 6.477 -0.854 1.00 0.00 C ATOM 424 CD1 ILE A 29 -11.130 3.790 -1.145 1.00 0.00 C ATOM 0 H ILE A 29 -6.948 3.800 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.036 4.838 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.423 5.520 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.258 3.172 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.235 4.137 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.613 6.647 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.476 7.365 -1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.760 6.272 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.641 2.889 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.809 4.640 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.817 3.660 -2.181 1.00 0.00 H new ATOM 436 N ARG A 30 -7.688 6.789 -3.510 1.00 0.00 N ATOM 437 CA ARG A 30 -6.957 7.971 -3.949 1.00 0.00 C ATOM 438 C ARG A 30 -7.306 9.179 -3.084 1.00 0.00 C ATOM 439 O ARG A 30 -8.461 9.603 -3.030 1.00 0.00 O ATOM 440 CB ARG A 30 -7.268 8.274 -5.416 1.00 0.00 C ATOM 441 CG ARG A 30 -6.334 7.578 -6.392 1.00 0.00 C ATOM 442 CD ARG A 30 -6.443 8.173 -7.787 1.00 0.00 C ATOM 443 NE ARG A 30 -7.789 8.037 -8.337 1.00 0.00 N ATOM 444 CZ ARG A 30 -8.269 8.810 -9.305 1.00 0.00 C ATOM 445 NH1 ARG A 30 -7.517 9.769 -9.827 1.00 0.00 N ATOM 446 NH2 ARG A 30 -9.504 8.624 -9.752 1.00 0.00 N ATOM 0 H ARG A 30 -8.336 6.413 -4.202 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.891 7.767 -3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.294 7.974 -5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.211 9.351 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.307 7.663 -6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.571 6.515 -6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.170 9.228 -7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.730 7.680 -8.448 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.394 7.309 -7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.567 9.915 -9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.888 10.361 -10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.085 7.887 -9.352 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.872 9.218 -10.495 1.00 0.00 H new ATOM 460 N ARG A 31 -6.301 9.728 -2.410 1.00 0.00 N ATOM 461 CA ARG A 31 -6.503 10.886 -1.546 1.00 0.00 C ATOM 462 C ARG A 31 -5.693 12.080 -2.041 1.00 0.00 C ATOM 463 O ARG A 31 -4.756 11.926 -2.825 1.00 0.00 O ATOM 464 CB ARG A 31 -6.109 10.550 -0.107 1.00 0.00 C ATOM 465 CG ARG A 31 -4.662 10.107 0.041 1.00 0.00 C ATOM 466 CD ARG A 31 -3.712 11.293 0.025 1.00 0.00 C ATOM 467 NE ARG A 31 -2.413 10.963 0.605 1.00 0.00 N ATOM 468 CZ ARG A 31 -1.447 10.341 -0.061 1.00 0.00 C ATOM 469 NH1 ARG A 31 -1.632 9.985 -1.325 1.00 0.00 N ATOM 470 NH2 ARG A 31 -0.292 10.075 0.536 1.00 0.00 N ATOM 0 H ARG A 31 -5.339 9.390 -2.445 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.560 11.149 -1.574 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.278 11.425 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.762 9.760 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.543 9.556 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.405 9.423 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.575 11.633 -1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.156 12.120 0.578 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.238 11.225 1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.518 10.189 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.888 9.507 -1.834 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.145 10.348 1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.449 9.597 0.023 1.00 0.00 H new ATOM 484 N SER A 32 -6.060 13.271 -1.577 1.00 0.00 N ATOM 485 CA SER A 32 -5.370 14.492 -1.976 1.00 0.00 C ATOM 486 C SER A 32 -3.858 14.297 -1.943 1.00 0.00 C ATOM 487 O SER A 32 -3.288 13.930 -0.915 1.00 0.00 O ATOM 488 CB SER A 32 -5.767 15.650 -1.057 1.00 0.00 C ATOM 489 OG SER A 32 -7.022 16.190 -1.431 1.00 0.00 O ATOM 0 H SER A 32 -6.831 13.416 -0.925 1.00 0.00 H new ATOM 0 HA SER A 32 -5.665 14.730 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.811 15.301 -0.025 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.006 16.429 -1.098 1.00 0.00 H new ATOM 0 HG SER A 32 -7.254 16.927 -0.828 1.00 0.00 H new ATOM 495 N THR A 33 -3.210 14.547 -3.077 1.00 0.00 N ATOM 496 CA THR A 33 -1.764 14.398 -3.181 1.00 0.00 C ATOM 497 C THR A 33 -1.193 15.317 -4.255 1.00 0.00 C ATOM 498 O THR A 33 -1.815 15.535 -5.295 1.00 0.00 O ATOM 499 CB THR A 33 -1.371 12.944 -3.503 1.00 0.00 C ATOM 500 OG1 THR A 33 0.048 12.784 -3.389 1.00 0.00 O ATOM 501 CG2 THR A 33 -1.818 12.560 -4.905 1.00 0.00 C ATOM 0 H THR A 33 -3.665 14.854 -3.937 1.00 0.00 H new ATOM 0 HA THR A 33 -1.347 14.673 -2.212 1.00 0.00 H new ATOM 0 HB THR A 33 -1.869 12.289 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.290 11.857 -3.593 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.529 11.529 -5.109 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.901 12.655 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.344 13.220 -5.632 1.00 0.00 H new ATOM 509 N LEU A 34 -0.005 15.853 -3.997 1.00 0.00 N ATOM 510 CA LEU A 34 0.652 16.748 -4.943 1.00 0.00 C ATOM 511 C LEU A 34 1.052 16.002 -6.211 1.00 0.00 C ATOM 512 O LEU A 34 2.073 15.314 -6.243 1.00 0.00 O ATOM 513 CB LEU A 34 1.886 17.384 -4.300 1.00 0.00 C ATOM 514 CG LEU A 34 1.657 18.711 -3.576 1.00 0.00 C ATOM 515 CD1 LEU A 34 0.999 19.720 -4.504 1.00 0.00 C ATOM 516 CD2 LEU A 34 0.811 18.498 -2.329 1.00 0.00 C ATOM 0 H LEU A 34 0.523 15.683 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.054 17.533 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.308 16.673 -3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.635 17.541 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 34 2.625 19.108 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.844 20.658 -3.971 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.642 19.895 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.038 19.332 -4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.658 19.453 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.154 18.078 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.323 17.811 -1.655 1.00 0.00 H new ATOM 528 N SER A 35 0.243 16.144 -7.256 1.00 0.00 N ATOM 529 CA SER A 35 0.512 15.483 -8.527 1.00 0.00 C ATOM 530 C SER A 35 2.010 15.440 -8.811 1.00 0.00 C ATOM 531 O SER A 35 2.645 16.475 -9.012 1.00 0.00 O ATOM 532 CB SER A 35 -0.214 16.203 -9.665 1.00 0.00 C ATOM 533 OG SER A 35 -1.609 15.957 -9.617 1.00 0.00 O ATOM 0 H SER A 35 -0.605 16.711 -7.247 1.00 0.00 H new ATOM 0 HA SER A 35 0.143 14.460 -8.461 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.028 17.275 -9.598 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.184 15.869 -10.623 1.00 0.00 H new ATOM 0 HG SER A 35 -2.050 16.430 -10.354 1.00 0.00 H new ATOM 539 N ARG A 36 2.569 14.234 -8.826 1.00 0.00 N ATOM 540 CA ARG A 36 3.993 14.055 -9.084 1.00 0.00 C ATOM 541 C ARG A 36 4.217 13.122 -10.271 1.00 0.00 C ATOM 542 O ARG A 36 4.948 13.453 -11.204 1.00 0.00 O ATOM 543 CB ARG A 36 4.691 13.496 -7.843 1.00 0.00 C ATOM 544 CG ARG A 36 6.172 13.223 -8.049 1.00 0.00 C ATOM 545 CD ARG A 36 6.924 13.206 -6.727 1.00 0.00 C ATOM 546 NE ARG A 36 6.566 12.051 -5.908 1.00 0.00 N ATOM 547 CZ ARG A 36 6.788 11.980 -4.601 1.00 0.00 C ATOM 548 NH1 ARG A 36 7.364 12.992 -3.967 1.00 0.00 N ATOM 549 NH2 ARG A 36 6.433 10.895 -3.924 1.00 0.00 N ATOM 0 H ARG A 36 2.058 13.367 -8.663 1.00 0.00 H new ATOM 0 HA ARG A 36 4.419 15.029 -9.324 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.571 14.201 -7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.198 12.571 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.300 12.266 -8.554 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.597 13.986 -8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.997 13.195 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.709 14.122 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 36 6.121 11.255 -6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.638 13.828 -4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.533 12.935 -2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.989 10.114 -4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.604 10.842 -2.920 1.00 0.00 H new ATOM 563 N ARG A 37 3.584 11.954 -10.226 1.00 0.00 N ATOM 564 CA ARG A 37 3.716 10.973 -11.296 1.00 0.00 C ATOM 565 C ARG A 37 2.398 10.806 -12.047 1.00 0.00 C ATOM 566 O ARG A 37 1.320 10.939 -11.468 1.00 0.00 O ATOM 567 CB ARG A 37 4.166 9.625 -10.729 1.00 0.00 C ATOM 568 CG ARG A 37 5.482 9.692 -9.971 1.00 0.00 C ATOM 569 CD ARG A 37 5.796 8.373 -9.283 1.00 0.00 C ATOM 570 NE ARG A 37 6.567 7.478 -10.141 1.00 0.00 N ATOM 571 CZ ARG A 37 7.884 7.562 -10.297 1.00 0.00 C ATOM 572 NH1 ARG A 37 8.572 8.496 -9.656 1.00 0.00 N ATOM 573 NH2 ARG A 37 8.514 6.711 -11.096 1.00 0.00 N ATOM 0 H ARG A 37 2.975 11.664 -9.461 1.00 0.00 H new ATOM 0 HA ARG A 37 4.470 11.335 -11.995 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.392 9.244 -10.063 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.263 8.911 -11.547 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.288 9.945 -10.660 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.435 10.489 -9.229 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.354 8.566 -8.367 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.866 7.885 -8.993 1.00 0.00 H new ATOM 0 HE ARG A 37 6.067 6.748 -10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.091 9.152 -9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.583 8.558 -9.777 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.988 5.991 -11.591 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.525 6.776 -11.215 1.00 0.00 H new ATOM 587 N LYS A 38 2.492 10.515 -13.340 1.00 0.00 N ATOM 588 CA LYS A 38 1.309 10.330 -14.171 1.00 0.00 C ATOM 589 C LYS A 38 0.871 8.869 -14.176 1.00 0.00 C ATOM 590 O LYS A 38 0.754 8.248 -15.233 1.00 0.00 O ATOM 591 CB LYS A 38 1.587 10.794 -15.603 1.00 0.00 C ATOM 592 CG LYS A 38 0.332 10.977 -16.438 1.00 0.00 C ATOM 593 CD LYS A 38 -0.346 12.304 -16.143 1.00 0.00 C ATOM 594 CE LYS A 38 -1.644 12.453 -16.922 1.00 0.00 C ATOM 595 NZ LYS A 38 -2.673 11.473 -16.477 1.00 0.00 N ATOM 0 H LYS A 38 3.377 10.402 -13.835 1.00 0.00 H new ATOM 0 HA LYS A 38 0.504 10.932 -13.751 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.132 11.737 -15.571 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.236 10.067 -16.092 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.587 10.925 -17.496 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.362 10.161 -16.237 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.551 12.379 -15.075 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.328 13.122 -16.397 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.028 13.465 -16.797 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.447 12.316 -17.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.600 11.742 -16.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.418 10.524 -16.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.721 11.468 -15.438 1.00 0.00 H new ATOM 609 N THR A 39 0.629 8.324 -12.988 1.00 0.00 N ATOM 610 CA THR A 39 0.204 6.936 -12.856 1.00 0.00 C ATOM 611 C THR A 39 -0.366 6.666 -11.468 1.00 0.00 C ATOM 612 O THR A 39 0.123 7.175 -10.459 1.00 0.00 O ATOM 613 CB THR A 39 1.370 5.964 -13.118 1.00 0.00 C ATOM 614 OG1 THR A 39 0.906 4.611 -13.040 1.00 0.00 O ATOM 615 CG2 THR A 39 2.491 6.180 -12.112 1.00 0.00 C ATOM 0 H THR A 39 0.720 8.823 -12.103 1.00 0.00 H new ATOM 0 HA THR A 39 -0.572 6.770 -13.603 1.00 0.00 H new ATOM 0 HB THR A 39 1.758 6.158 -14.118 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.652 3.999 -13.209 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.303 5.482 -12.317 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.861 7.202 -12.194 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.113 6.010 -11.104 1.00 0.00 H new ATOM 623 N PRO A 40 -1.425 5.844 -11.412 1.00 0.00 N ATOM 624 CA PRO A 40 -2.084 5.486 -10.152 1.00 0.00 C ATOM 625 C PRO A 40 -1.216 4.586 -9.279 1.00 0.00 C ATOM 626 O PRO A 40 -1.092 3.389 -9.536 1.00 0.00 O ATOM 627 CB PRO A 40 -3.339 4.739 -10.608 1.00 0.00 C ATOM 628 CG PRO A 40 -2.991 4.197 -11.952 1.00 0.00 C ATOM 629 CD PRO A 40 -2.060 5.201 -12.574 1.00 0.00 C ATOM 0 HA PRO A 40 -2.292 6.362 -9.538 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.598 3.940 -9.914 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.199 5.406 -10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.513 3.221 -11.868 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.884 4.063 -12.562 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.324 4.721 -13.219 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.599 5.923 -13.188 1.00 0.00 H new ATOM 637 N MET A 41 -0.617 5.170 -8.247 1.00 0.00 N ATOM 638 CA MET A 41 0.238 4.419 -7.335 1.00 0.00 C ATOM 639 C MET A 41 -0.385 4.341 -5.945 1.00 0.00 C ATOM 640 O MET A 41 -0.870 5.341 -5.414 1.00 0.00 O ATOM 641 CB MET A 41 1.622 5.067 -7.250 1.00 0.00 C ATOM 642 CG MET A 41 2.396 5.020 -8.558 1.00 0.00 C ATOM 643 SD MET A 41 4.179 4.939 -8.307 1.00 0.00 S ATOM 644 CE MET A 41 4.526 3.275 -8.871 1.00 0.00 C ATOM 0 H MET A 41 -0.708 6.161 -8.021 1.00 0.00 H new ATOM 0 HA MET A 41 0.341 3.406 -7.725 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.509 6.106 -6.941 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.202 4.565 -6.476 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.074 4.153 -9.135 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.156 5.903 -9.150 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.584 3.055 -8.728 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.928 2.565 -8.300 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.278 3.190 -9.929 1.00 0.00 H new ATOM 654 N CYS A 42 -0.370 3.148 -5.361 1.00 0.00 N ATOM 655 CA CYS A 42 -0.934 2.938 -4.033 1.00 0.00 C ATOM 656 C CYS A 42 0.044 3.383 -2.950 1.00 0.00 C ATOM 657 O CYS A 42 1.259 3.280 -3.117 1.00 0.00 O ATOM 658 CB CYS A 42 -1.295 1.465 -3.836 1.00 0.00 C ATOM 659 SG CYS A 42 0.139 0.342 -3.836 1.00 0.00 S ATOM 0 H CYS A 42 0.027 2.311 -5.787 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.839 3.541 -3.951 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.828 1.356 -2.892 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.981 1.161 -4.627 1.00 0.00 H new ATOM 664 N GLU A 43 -0.495 3.877 -1.840 1.00 0.00 N ATOM 665 CA GLU A 43 0.331 4.338 -0.730 1.00 0.00 C ATOM 666 C GLU A 43 1.593 3.490 -0.602 1.00 0.00 C ATOM 667 O GLU A 43 2.692 4.014 -0.422 1.00 0.00 O ATOM 668 CB GLU A 43 -0.462 4.293 0.578 1.00 0.00 C ATOM 669 CG GLU A 43 -1.491 5.404 0.705 1.00 0.00 C ATOM 670 CD GLU A 43 -2.131 5.453 2.078 1.00 0.00 C ATOM 671 OE1 GLU A 43 -1.475 5.030 3.053 1.00 0.00 O ATOM 672 OE2 GLU A 43 -3.287 5.913 2.179 1.00 0.00 O ATOM 0 H GLU A 43 -1.499 3.968 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 43 0.625 5.368 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.968 3.330 0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.232 4.355 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.014 6.362 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.266 5.264 -0.048 1.00 0.00 H new ATOM 679 N LYS A 44 1.426 2.175 -0.695 1.00 0.00 N ATOM 680 CA LYS A 44 2.550 1.252 -0.590 1.00 0.00 C ATOM 681 C LYS A 44 3.641 1.606 -1.596 1.00 0.00 C ATOM 682 O LYS A 44 4.777 1.894 -1.219 1.00 0.00 O ATOM 683 CB LYS A 44 2.078 -0.186 -0.819 1.00 0.00 C ATOM 684 CG LYS A 44 3.189 -1.216 -0.705 1.00 0.00 C ATOM 685 CD LYS A 44 2.647 -2.579 -0.306 1.00 0.00 C ATOM 686 CE LYS A 44 2.517 -2.707 1.204 1.00 0.00 C ATOM 687 NZ LYS A 44 1.585 -3.803 1.589 1.00 0.00 N ATOM 0 H LYS A 44 0.523 1.724 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 44 2.965 1.337 0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.298 -0.423 -0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.627 -0.258 -1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.711 -1.296 -1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.920 -0.884 0.032 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.673 -2.735 -0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.308 -3.359 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.499 -2.896 1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.160 -1.764 1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.523 -3.858 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.642 -3.611 1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.938 -4.707 1.215 1.00 0.00 H new ATOM 701 N CYS A 45 3.288 1.585 -2.877 1.00 0.00 N ATOM 702 CA CYS A 45 4.236 1.905 -3.937 1.00 0.00 C ATOM 703 C CYS A 45 4.786 3.318 -3.766 1.00 0.00 C ATOM 704 O CYS A 45 5.995 3.537 -3.841 1.00 0.00 O ATOM 705 CB CYS A 45 3.567 1.768 -5.306 1.00 0.00 C ATOM 706 SG CYS A 45 3.256 0.046 -5.813 1.00 0.00 S ATOM 0 H CYS A 45 2.352 1.350 -3.206 1.00 0.00 H new ATOM 0 HA CYS A 45 5.066 1.201 -3.874 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.620 2.308 -5.291 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.196 2.248 -6.056 1.00 0.00 H new ATOM 711 N ARG A 46 3.890 4.272 -3.537 1.00 0.00 N ATOM 712 CA ARG A 46 4.285 5.664 -3.356 1.00 0.00 C ATOM 713 C ARG A 46 5.527 5.766 -2.475 1.00 0.00 C ATOM 714 O ARG A 46 6.461 6.507 -2.784 1.00 0.00 O ATOM 715 CB ARG A 46 3.139 6.465 -2.736 1.00 0.00 C ATOM 716 CG ARG A 46 1.931 6.606 -3.648 1.00 0.00 C ATOM 717 CD ARG A 46 1.187 7.907 -3.390 1.00 0.00 C ATOM 718 NE ARG A 46 0.041 8.068 -4.280 1.00 0.00 N ATOM 719 CZ ARG A 46 -1.155 7.542 -4.042 1.00 0.00 C ATOM 720 NH1 ARG A 46 -1.360 6.824 -2.946 1.00 0.00 N ATOM 721 NH2 ARG A 46 -2.149 7.733 -4.900 1.00 0.00 N ATOM 0 H ARG A 46 2.886 4.107 -3.472 1.00 0.00 H new ATOM 0 HA ARG A 46 4.520 6.079 -4.336 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.829 5.982 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.502 7.458 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.253 6.570 -4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.257 5.763 -3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.848 7.931 -2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.869 8.747 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 46 0.166 8.615 -5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.598 6.675 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.279 6.421 -2.765 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.995 8.285 -5.744 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.067 7.328 -4.715 1.00 0.00 H new ATOM 735 N LYS A 47 5.530 5.019 -1.377 1.00 0.00 N ATOM 736 CA LYS A 47 6.656 5.024 -0.451 1.00 0.00 C ATOM 737 C LYS A 47 7.959 4.701 -1.176 1.00 0.00 C ATOM 738 O LYS A 47 9.009 5.264 -0.865 1.00 0.00 O ATOM 739 CB LYS A 47 6.422 4.013 0.674 1.00 0.00 C ATOM 740 CG LYS A 47 5.497 4.522 1.766 1.00 0.00 C ATOM 741 CD LYS A 47 5.055 3.399 2.690 1.00 0.00 C ATOM 742 CE LYS A 47 6.155 3.018 3.669 1.00 0.00 C ATOM 743 NZ LYS A 47 6.275 4.003 4.779 1.00 0.00 N ATOM 0 H LYS A 47 4.765 4.402 -1.106 1.00 0.00 H new ATOM 0 HA LYS A 47 6.737 6.023 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.002 3.101 0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.382 3.747 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.006 5.292 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.622 4.989 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.167 3.708 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.776 2.528 2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.948 2.030 4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.105 2.950 3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.988 3.673 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.564 4.925 4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.357 4.099 5.258 1.00 0.00 H new ATOM 757 N ASP A 48 7.883 3.795 -2.144 1.00 0.00 N ATOM 758 CA ASP A 48 9.055 3.399 -2.915 1.00 0.00 C ATOM 759 C ASP A 48 9.300 4.369 -4.067 1.00 0.00 C ATOM 760 O ASP A 48 9.479 3.954 -5.213 1.00 0.00 O ATOM 761 CB ASP A 48 8.882 1.979 -3.455 1.00 0.00 C ATOM 762 CG ASP A 48 10.194 1.367 -3.907 1.00 0.00 C ATOM 763 OD1 ASP A 48 11.257 1.840 -3.453 1.00 0.00 O ATOM 764 OD2 ASP A 48 10.157 0.415 -4.714 1.00 0.00 O ATOM 0 H ASP A 48 7.021 3.321 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 48 9.920 3.423 -2.253 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.439 1.351 -2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.184 1.994 -4.292 1.00 0.00 H new ATOM 769 N SER A 49 9.305 5.661 -3.756 1.00 0.00 N ATOM 770 CA SER A 49 9.523 6.689 -4.767 1.00 0.00 C ATOM 771 C SER A 49 10.921 6.575 -5.366 1.00 0.00 C ATOM 772 O SER A 49 11.201 7.134 -6.427 1.00 0.00 O ATOM 773 CB SER A 49 9.327 8.080 -4.159 1.00 0.00 C ATOM 774 OG SER A 49 10.345 8.372 -3.217 1.00 0.00 O ATOM 0 H SER A 49 9.161 6.021 -2.813 1.00 0.00 H new ATOM 0 HA SER A 49 8.794 6.542 -5.563 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.333 8.830 -4.950 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.352 8.135 -3.675 1.00 0.00 H new ATOM 0 HG SER A 49 10.199 9.266 -2.844 1.00 0.00 H new ATOM 780 N CYS A 50 11.795 5.849 -4.678 1.00 0.00 N ATOM 781 CA CYS A 50 13.166 5.661 -5.140 1.00 0.00 C ATOM 782 C CYS A 50 13.912 6.991 -5.181 1.00 0.00 C ATOM 783 O CYS A 50 14.608 7.293 -6.150 1.00 0.00 O ATOM 784 CB CYS A 50 13.174 5.016 -6.527 1.00 0.00 C ATOM 785 SG CYS A 50 14.765 4.297 -6.996 1.00 0.00 S ATOM 0 H CYS A 50 11.579 5.381 -3.798 1.00 0.00 H new ATOM 0 HA CYS A 50 13.674 5.001 -4.437 1.00 0.00 H new ATOM 0 HB2 CYS A 50 12.412 4.237 -6.558 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.894 5.766 -7.267 1.00 0.00 H new ATOM 0 HG CYS A 50 14.672 3.774 -8.183 1.00 0.00 H new ATOM 791 N GLN A 51 13.762 7.780 -4.122 1.00 0.00 N ATOM 792 CA GLN A 51 14.421 9.078 -4.038 1.00 0.00 C ATOM 793 C GLN A 51 15.598 9.030 -3.070 1.00 0.00 C ATOM 794 O GLN A 51 16.662 9.582 -3.345 1.00 0.00 O ATOM 795 CB GLN A 51 13.425 10.152 -3.596 1.00 0.00 C ATOM 796 CG GLN A 51 14.032 11.542 -3.500 1.00 0.00 C ATOM 797 CD GLN A 51 14.839 11.740 -2.232 1.00 0.00 C ATOM 798 OE1 GLN A 51 14.921 10.846 -1.388 1.00 0.00 O ATOM 799 NE2 GLN A 51 15.440 12.916 -2.090 1.00 0.00 N ATOM 0 H GLN A 51 13.190 7.543 -3.311 1.00 0.00 H new ATOM 0 HA GLN A 51 14.800 9.329 -5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.593 10.176 -4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.013 9.876 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.673 11.715 -4.365 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.236 12.285 -3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 51 15.345 13.628 -2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 51 15.996 13.107 -1.257 1.00 0.00 H new ATOM 808 N GLU A 52 15.398 8.366 -1.936 1.00 0.00 N ATOM 809 CA GLU A 52 16.443 8.247 -0.926 1.00 0.00 C ATOM 810 C GLU A 52 17.652 7.498 -1.480 1.00 0.00 C ATOM 811 O GLU A 52 17.665 6.268 -1.527 1.00 0.00 O ATOM 812 CB GLU A 52 15.907 7.527 0.313 1.00 0.00 C ATOM 813 CG GLU A 52 14.690 8.198 0.928 1.00 0.00 C ATOM 814 CD GLU A 52 14.993 9.588 1.452 1.00 0.00 C ATOM 815 OE1 GLU A 52 16.138 9.820 1.893 1.00 0.00 O ATOM 816 OE2 GLU A 52 14.084 10.444 1.421 1.00 0.00 O ATOM 0 H GLU A 52 14.522 7.902 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 52 16.757 9.252 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 52 15.650 6.502 0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.698 7.471 1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.898 8.260 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.313 7.581 1.743 1.00 0.00 H new ATOM 823 N ALA A 53 18.665 8.249 -1.899 1.00 0.00 N ATOM 824 CA ALA A 53 19.879 7.657 -2.448 1.00 0.00 C ATOM 825 C ALA A 53 20.859 7.287 -1.340 1.00 0.00 C ATOM 826 O ALA A 53 21.383 6.174 -1.310 1.00 0.00 O ATOM 827 CB ALA A 53 20.532 8.613 -3.435 1.00 0.00 C ATOM 0 H ALA A 53 18.669 9.269 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 53 19.603 6.743 -2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.437 8.158 -3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.839 8.824 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 53 20.788 9.542 -2.926 1.00 0.00 H new ATOM 833 N ALA A 54 21.101 8.226 -0.433 1.00 0.00 N ATOM 834 CA ALA A 54 22.018 7.998 0.678 1.00 0.00 C ATOM 835 C ALA A 54 21.453 6.969 1.652 1.00 0.00 C ATOM 836 O ALA A 54 20.251 6.947 1.920 1.00 0.00 O ATOM 837 CB ALA A 54 22.311 9.305 1.398 1.00 0.00 C ATOM 0 H ALA A 54 20.675 9.153 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 54 22.950 7.604 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.997 9.119 2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 54 22.765 10.010 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 54 21.382 9.724 1.784 1.00 0.00 H new ATOM 843 N LEU A 55 22.327 6.119 2.179 1.00 0.00 N ATOM 844 CA LEU A 55 21.916 5.087 3.124 1.00 0.00 C ATOM 845 C LEU A 55 21.064 5.680 4.242 1.00 0.00 C ATOM 846 O LEU A 55 20.087 5.074 4.679 1.00 0.00 O ATOM 847 CB LEU A 55 23.143 4.392 3.717 1.00 0.00 C ATOM 848 CG LEU A 55 23.644 3.158 2.964 1.00 0.00 C ATOM 849 CD1 LEU A 55 22.640 2.022 3.073 1.00 0.00 C ATOM 850 CD2 LEU A 55 23.914 3.497 1.506 1.00 0.00 C ATOM 0 H LEU A 55 23.325 6.124 1.968 1.00 0.00 H new ATOM 0 HA LEU A 55 21.316 4.354 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 55 23.956 5.116 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.911 4.099 4.741 1.00 0.00 H new ATOM 0 HG LEU A 55 24.579 2.833 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 55 23.014 1.153 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 55 22.497 1.762 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 55 21.688 2.335 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 55 24.270 2.608 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.994 3.848 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 55 24.672 4.278 1.448 1.00 0.00 H new ATOM 862 N ASN A 56 21.442 6.870 4.699 1.00 0.00 N ATOM 863 CA ASN A 56 20.711 7.546 5.765 1.00 0.00 C ATOM 864 C ASN A 56 19.229 7.660 5.421 1.00 0.00 C ATOM 865 O ASN A 56 18.829 7.464 4.273 1.00 0.00 O ATOM 866 CB ASN A 56 21.298 8.938 6.009 1.00 0.00 C ATOM 867 CG ASN A 56 20.911 9.498 7.364 1.00 0.00 C ATOM 868 OD1 ASN A 56 21.065 8.835 8.390 1.00 0.00 O ATOM 869 ND2 ASN A 56 20.404 10.726 7.374 1.00 0.00 N ATOM 0 H ASN A 56 22.249 7.385 4.348 1.00 0.00 H new ATOM 0 HA ASN A 56 20.810 6.952 6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 56 22.384 8.889 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 56 20.956 9.616 5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 56 20.125 11.155 8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 56 20.294 11.239 6.500 1.00 0.00 H new ATOM 876 N LYS A 57 18.418 7.978 6.424 1.00 0.00 N ATOM 877 CA LYS A 57 16.980 8.121 6.230 1.00 0.00 C ATOM 878 C LYS A 57 16.495 9.479 6.727 1.00 0.00 C ATOM 879 O LYS A 57 15.939 10.268 5.963 1.00 0.00 O ATOM 880 CB LYS A 57 16.233 7.002 6.960 1.00 0.00 C ATOM 881 CG LYS A 57 16.377 5.642 6.299 1.00 0.00 C ATOM 882 CD LYS A 57 16.292 4.516 7.316 1.00 0.00 C ATOM 883 CE LYS A 57 16.646 3.175 6.692 1.00 0.00 C ATOM 884 NZ LYS A 57 17.034 2.170 7.720 1.00 0.00 N ATOM 0 H LYS A 57 18.732 8.142 7.380 1.00 0.00 H new ATOM 0 HA LYS A 57 16.774 8.051 5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 57 16.600 6.939 7.984 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.175 7.259 7.016 1.00 0.00 H new ATOM 0 HG2 LYS A 57 15.596 5.516 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 57 17.332 5.590 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.968 4.722 8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.284 4.472 7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.794 2.803 6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 57 17.466 3.308 5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.268 1.270 7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.863 2.513 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.243 2.024 8.379 1.00 0.00 H new ATOM 898 N ASP A 58 16.712 9.745 8.011 1.00 0.00 N ATOM 899 CA ASP A 58 16.299 11.009 8.609 1.00 0.00 C ATOM 900 C ASP A 58 17.216 11.386 9.769 1.00 0.00 C ATOM 901 O ASP A 58 17.396 10.611 10.707 1.00 0.00 O ATOM 902 CB ASP A 58 14.852 10.920 9.096 1.00 0.00 C ATOM 903 CG ASP A 58 13.860 10.839 7.952 1.00 0.00 C ATOM 904 OD1 ASP A 58 13.859 9.813 7.239 1.00 0.00 O ATOM 905 OD2 ASP A 58 13.085 11.800 7.769 1.00 0.00 O ATOM 0 H ASP A 58 17.171 9.103 8.657 1.00 0.00 H new ATOM 0 HA ASP A 58 16.370 11.784 7.845 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.740 10.043 9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 58 14.624 11.791 9.710 1.00 0.00 H new ATOM 910 N GLU A 59 17.793 12.582 9.695 1.00 0.00 N ATOM 911 CA GLU A 59 18.693 13.060 10.738 1.00 0.00 C ATOM 912 C GLU A 59 18.113 14.285 11.438 1.00 0.00 C ATOM 913 O GLU A 59 18.827 15.243 11.732 1.00 0.00 O ATOM 914 CB GLU A 59 20.063 13.399 10.145 1.00 0.00 C ATOM 915 CG GLU A 59 20.011 14.468 9.067 1.00 0.00 C ATOM 916 CD GLU A 59 21.206 14.415 8.135 1.00 0.00 C ATOM 917 OE1 GLU A 59 22.346 14.561 8.624 1.00 0.00 O ATOM 918 OE2 GLU A 59 21.001 14.227 6.918 1.00 0.00 O ATOM 0 H GLU A 59 17.653 13.236 8.925 1.00 0.00 H new ATOM 0 HA GLU A 59 18.810 12.264 11.473 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.723 13.733 10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.503 12.494 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 59 19.096 14.349 8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.965 15.450 9.537 1.00 0.00 H new ATOM 925 N GLY A 60 16.810 14.246 11.703 1.00 0.00 N ATOM 926 CA GLY A 60 16.154 15.358 12.365 1.00 0.00 C ATOM 927 C GLY A 60 15.323 16.193 11.411 1.00 0.00 C ATOM 928 O GLY A 60 15.446 17.417 11.378 1.00 0.00 O ATOM 0 H GLY A 60 16.198 13.464 11.471 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.514 14.977 13.161 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.906 15.991 12.836 1.00 0.00 H new ATOM 932 N ASN A 61 14.475 15.530 10.632 1.00 0.00 N ATOM 933 CA ASN A 61 13.621 16.218 9.671 1.00 0.00 C ATOM 934 C ASN A 61 12.317 15.456 9.457 1.00 0.00 C ATOM 935 O ASN A 61 12.302 14.397 8.831 1.00 0.00 O ATOM 936 CB ASN A 61 14.351 16.386 8.337 1.00 0.00 C ATOM 937 CG ASN A 61 13.683 17.407 7.437 1.00 0.00 C ATOM 938 OD1 ASN A 61 12.574 17.189 6.949 1.00 0.00 O ATOM 939 ND2 ASN A 61 14.358 18.529 7.212 1.00 0.00 N ATOM 0 H ASN A 61 14.361 14.517 10.647 1.00 0.00 H new ATOM 0 HA ASN A 61 13.383 17.202 10.074 1.00 0.00 H new ATOM 0 HB2 ASN A 61 15.381 16.690 8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 61 14.391 15.425 7.824 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.960 19.253 6.614 1.00 0.00 H new ATOM 0 HD22 ASN A 61 15.275 18.667 7.638 1.00 0.00 H new ATOM 946 N GLU A 62 11.225 16.003 9.982 1.00 0.00 N ATOM 947 CA GLU A 62 9.916 15.373 9.848 1.00 0.00 C ATOM 948 C GLU A 62 9.154 15.951 8.660 1.00 0.00 C ATOM 949 O GLU A 62 8.503 16.991 8.772 1.00 0.00 O ATOM 950 CB GLU A 62 9.102 15.561 11.130 1.00 0.00 C ATOM 951 CG GLU A 62 7.885 14.655 11.216 1.00 0.00 C ATOM 952 CD GLU A 62 6.860 15.149 12.219 1.00 0.00 C ATOM 953 OE1 GLU A 62 7.266 15.750 13.236 1.00 0.00 O ATOM 954 OE2 GLU A 62 5.652 14.934 11.986 1.00 0.00 O ATOM 0 H GLU A 62 11.220 16.880 10.503 1.00 0.00 H new ATOM 0 HA GLU A 62 10.069 14.308 9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.745 15.374 11.990 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.777 16.599 11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.420 14.583 10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.204 13.650 11.493 1.00 0.00 H new ATOM 961 N SER A 63 9.239 15.270 7.522 1.00 0.00 N ATOM 962 CA SER A 63 8.561 15.717 6.310 1.00 0.00 C ATOM 963 C SER A 63 7.059 15.849 6.546 1.00 0.00 C ATOM 964 O SER A 63 6.375 14.866 6.825 1.00 0.00 O ATOM 965 CB SER A 63 8.825 14.740 5.163 1.00 0.00 C ATOM 966 OG SER A 63 8.439 13.423 5.515 1.00 0.00 O ATOM 0 H SER A 63 9.771 14.406 7.413 1.00 0.00 H new ATOM 0 HA SER A 63 8.957 16.696 6.041 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.276 15.058 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.884 14.755 4.905 1.00 0.00 H new ATOM 0 HG SER A 63 7.658 13.458 6.106 1.00 0.00 H new ATOM 972 N GLY A 64 6.554 17.074 6.430 1.00 0.00 N ATOM 973 CA GLY A 64 5.137 17.313 6.633 1.00 0.00 C ATOM 974 C GLY A 64 4.466 17.898 5.406 1.00 0.00 C ATOM 975 O GLY A 64 4.973 18.844 4.803 1.00 0.00 O ATOM 0 H GLY A 64 7.100 17.904 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.648 16.376 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.003 17.992 7.475 1.00 0.00 H new ATOM 979 N LYS A 65 3.323 17.333 5.033 1.00 0.00 N ATOM 980 CA LYS A 65 2.580 17.803 3.870 1.00 0.00 C ATOM 981 C LYS A 65 1.945 19.162 4.142 1.00 0.00 C ATOM 982 O LYS A 65 1.586 19.475 5.278 1.00 0.00 O ATOM 983 CB LYS A 65 1.499 16.790 3.486 1.00 0.00 C ATOM 984 CG LYS A 65 2.041 15.562 2.775 1.00 0.00 C ATOM 985 CD LYS A 65 1.040 14.419 2.795 1.00 0.00 C ATOM 986 CE LYS A 65 -0.042 14.606 1.743 1.00 0.00 C ATOM 987 NZ LYS A 65 -1.159 15.456 2.240 1.00 0.00 N ATOM 0 H LYS A 65 2.891 16.548 5.520 1.00 0.00 H new ATOM 0 HA LYS A 65 3.280 17.909 3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.972 16.475 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.767 17.279 2.843 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.284 15.816 1.743 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.968 15.244 3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.559 13.477 2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.582 14.353 3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.392 15.061 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.431 13.632 1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.057 15.118 1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.201 15.403 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.000 16.442 1.950 1.00 0.00 H new ATOM 1001 N LYS A 66 1.807 19.967 3.094 1.00 0.00 N ATOM 1002 CA LYS A 66 1.212 21.292 3.219 1.00 0.00 C ATOM 1003 C LYS A 66 -0.036 21.247 4.094 1.00 0.00 C ATOM 1004 O LYS A 66 -0.916 20.408 3.899 1.00 0.00 O ATOM 1005 CB LYS A 66 0.859 21.847 1.837 1.00 0.00 C ATOM 1006 CG LYS A 66 2.065 22.326 1.048 1.00 0.00 C ATOM 1007 CD LYS A 66 1.823 22.234 -0.450 1.00 0.00 C ATOM 1008 CE LYS A 66 3.120 22.001 -1.210 1.00 0.00 C ATOM 1009 NZ LYS A 66 3.060 22.554 -2.591 1.00 0.00 N ATOM 0 H LYS A 66 2.100 19.724 2.147 1.00 0.00 H new ATOM 0 HA LYS A 66 1.943 21.948 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.345 21.075 1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.160 22.675 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.292 23.357 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.936 21.728 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.127 21.421 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.354 23.153 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.946 22.463 -0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.327 20.932 -1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.962 22.375 -3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.288 22.095 -3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.888 23.579 -2.547 1.00 0.00 H new ATOM 1023 N THR A 67 -0.109 22.158 5.060 1.00 0.00 N ATOM 1024 CA THR A 67 -1.249 22.223 5.965 1.00 0.00 C ATOM 1025 C THR A 67 -1.788 23.645 6.069 1.00 0.00 C ATOM 1026 O THR A 67 -1.047 24.614 5.904 1.00 0.00 O ATOM 1027 CB THR A 67 -0.877 21.723 7.374 1.00 0.00 C ATOM 1028 OG1 THR A 67 -2.054 21.618 8.183 1.00 0.00 O ATOM 1029 CG2 THR A 67 0.118 22.663 8.037 1.00 0.00 C ATOM 0 H THR A 67 0.609 22.861 5.235 1.00 0.00 H new ATOM 0 HA THR A 67 -2.020 21.574 5.549 1.00 0.00 H new ATOM 0 HB THR A 67 -0.415 20.741 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.809 21.298 9.076 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.365 22.289 9.031 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.024 22.718 7.434 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.322 23.657 8.122 1.00 0.00 H new ATOM 1037 N SER A 68 -3.083 23.764 6.345 1.00 0.00 N ATOM 1038 CA SER A 68 -3.722 25.069 6.468 1.00 0.00 C ATOM 1039 C SER A 68 -2.879 26.008 7.325 1.00 0.00 C ATOM 1040 O SER A 68 -2.596 25.721 8.487 1.00 0.00 O ATOM 1041 CB SER A 68 -5.118 24.921 7.076 1.00 0.00 C ATOM 1042 OG SER A 68 -5.044 24.658 8.466 1.00 0.00 O ATOM 0 H SER A 68 -3.710 22.972 6.488 1.00 0.00 H new ATOM 0 HA SER A 68 -3.811 25.498 5.470 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.691 25.833 6.905 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.651 24.111 6.578 1.00 0.00 H new ATOM 0 HG SER A 68 -4.136 24.841 8.786 1.00 0.00 H new ATOM 1048 N GLY A 69 -2.480 27.134 6.740 1.00 0.00 N ATOM 1049 CA GLY A 69 -1.672 28.099 7.463 1.00 0.00 C ATOM 1050 C GLY A 69 -0.251 27.619 7.680 1.00 0.00 C ATOM 1051 O GLY A 69 0.002 26.431 7.880 1.00 0.00 O ATOM 0 H GLY A 69 -2.702 27.395 5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.654 29.039 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.134 28.304 8.429 1.00 0.00 H new ATOM 1055 N PRO A 70 0.707 28.557 7.641 1.00 0.00 N ATOM 1056 CA PRO A 70 2.127 28.247 7.831 1.00 0.00 C ATOM 1057 C PRO A 70 2.444 27.844 9.267 1.00 0.00 C ATOM 1058 O PRO A 70 1.573 27.868 10.136 1.00 0.00 O ATOM 1059 CB PRO A 70 2.827 29.562 7.477 1.00 0.00 C ATOM 1060 CG PRO A 70 1.806 30.616 7.733 1.00 0.00 C ATOM 1061 CD PRO A 70 0.477 29.993 7.407 1.00 0.00 C ATOM 0 HA PRO A 70 2.446 27.401 7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.716 29.715 8.089 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.152 29.570 6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.838 30.946 8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.988 31.494 7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.317 30.382 8.045 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.183 30.190 6.376 1.00 0.00 H new ATOM 1069 N SER A 71 3.698 27.475 9.510 1.00 0.00 N ATOM 1070 CA SER A 71 4.130 27.063 10.840 1.00 0.00 C ATOM 1071 C SER A 71 4.984 28.146 11.494 1.00 0.00 C ATOM 1072 O SER A 71 6.164 28.296 11.178 1.00 0.00 O ATOM 1073 CB SER A 71 4.918 25.755 10.762 1.00 0.00 C ATOM 1074 OG SER A 71 4.049 24.635 10.752 1.00 0.00 O ATOM 0 H SER A 71 4.433 27.453 8.803 1.00 0.00 H new ATOM 0 HA SER A 71 3.241 26.907 11.451 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.533 25.750 9.862 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.597 25.685 11.612 1.00 0.00 H new ATOM 0 HG SER A 71 4.577 23.811 10.700 1.00 0.00 H new ATOM 1080 N SER A 72 4.377 28.898 12.406 1.00 0.00 N ATOM 1081 CA SER A 72 5.079 29.970 13.102 1.00 0.00 C ATOM 1082 C SER A 72 4.667 30.026 14.570 1.00 0.00 C ATOM 1083 O SER A 72 3.647 29.461 14.962 1.00 0.00 O ATOM 1084 CB SER A 72 4.797 31.315 12.430 1.00 0.00 C ATOM 1085 OG SER A 72 5.559 32.352 13.022 1.00 0.00 O ATOM 0 H SER A 72 3.401 28.785 12.680 1.00 0.00 H new ATOM 0 HA SER A 72 6.148 29.763 13.050 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.030 31.250 11.367 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.735 31.549 12.510 1.00 0.00 H new ATOM 0 HG SER A 72 5.361 33.200 12.573 1.00 0.00 H new ATOM 1091 N GLY A 73 5.469 30.713 15.378 1.00 0.00 N ATOM 1092 CA GLY A 73 5.172 30.832 16.794 1.00 0.00 C ATOM 1093 C GLY A 73 6.080 31.821 17.496 1.00 0.00 C ATOM 1094 O GLY A 73 5.649 32.450 18.461 1.00 0.00 O ATOM 0 H GLY A 73 6.319 31.189 15.077 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.135 31.143 16.920 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.271 29.855 17.266 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.945 -0.219 -5.949 1.00 0.00 ZN