USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 134:sc= 0.952 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.75 USER MOD Single : A 1 MET CE :methyl -168:sc= -0.241 (180deg=-0.406) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.4 (180deg=2.38) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -111:sc= 0.891 (180deg=-0.367!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.198 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.018) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 1.3 (180deg=0.622) USER MOD Single : A 29 LYS NZ :NH3+ 137:sc= 0.448 (180deg=0.00139) USER MOD Single : A 31 GLN : amide:sc= -0.528 K(o=-0.53,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0276 K(o=-0.028,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= 1.61 K(o=1.6,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= 1.28 (180deg=0.689) USER MOD Single : A 49 GLN : amide:sc= 1.06 K(o=1.1,f=-4.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -1:sc= 1.9 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.000283 X(o=-0.00028,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -139:sc= 0.132 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.156 -4.662 -4.135 1.00 0.78 N ATOM 2 CA MET A 1 12.735 -4.668 -2.717 1.00 0.70 C ATOM 3 C MET A 1 11.378 -5.185 -2.382 1.00 0.62 C ATOM 4 O MET A 1 10.362 -4.714 -2.891 1.00 0.68 O ATOM 5 CB MET A 1 12.745 -3.178 -2.335 1.00 0.75 C ATOM 6 CG MET A 1 12.502 -2.873 -0.857 1.00 0.79 C ATOM 7 SD MET A 1 12.874 -1.154 -0.395 1.00 1.10 S ATOM 8 CE MET A 1 11.097 -0.804 -0.510 1.00 0.84 C ATOM 0 H1 MET A 1 14.157 -4.389 -4.199 1.00 0.78 H new ATOM 0 H2 MET A 1 13.030 -5.612 -4.539 1.00 0.78 H new ATOM 0 H3 MET A 1 12.577 -3.981 -4.666 1.00 0.78 H new ATOM 0 HA MET A 1 13.406 -5.346 -2.191 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.708 -2.754 -2.621 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.984 -2.666 -2.923 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.460 -3.087 -0.617 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.113 -3.543 -0.252 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.936 0.274 -0.486 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.706 -1.209 -1.444 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.580 -1.267 0.331 1.00 0.84 H new ATOM 20 N GLN A 2 11.362 -6.265 -1.581 1.00 0.59 N ATOM 21 CA GLN A 2 10.178 -6.952 -1.165 1.00 0.56 C ATOM 22 C GLN A 2 9.378 -6.255 -0.119 1.00 0.50 C ATOM 23 O GLN A 2 9.885 -5.889 0.940 1.00 0.60 O ATOM 24 CB GLN A 2 10.487 -8.375 -0.673 1.00 0.71 C ATOM 25 CG GLN A 2 9.232 -9.221 -0.452 1.00 1.15 C ATOM 26 CD GLN A 2 9.629 -10.690 -0.416 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.850 -11.357 0.594 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.620 -11.293 -1.634 1.00 1.72 N ATOM 0 H GLN A 2 12.215 -6.679 -1.205 1.00 0.59 H new ATOM 0 HA GLN A 2 9.570 -6.979 -2.069 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.129 -8.872 -1.400 1.00 0.71 H new ATOM 0 HB3 GLN A 2 11.047 -8.316 0.260 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.746 -8.939 0.482 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.512 -9.044 -1.251 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.437 -10.744 -2.474 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.796 -12.295 -1.708 1.00 1.72 H new ATOM 37 N ILE A 3 8.078 -5.972 -0.309 1.00 0.44 N ATOM 38 CA ILE A 3 7.234 -5.385 0.686 1.00 0.42 C ATOM 39 C ILE A 3 5.981 -6.185 0.585 1.00 0.40 C ATOM 40 O ILE A 3 5.710 -6.774 -0.460 1.00 0.50 O ATOM 41 CB ILE A 3 6.886 -3.930 0.574 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.087 -3.664 -0.714 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.226 -3.184 0.688 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.694 -2.187 -0.704 1.00 0.72 C ATOM 0 H ILE A 3 7.596 -6.159 -1.188 1.00 0.44 H new ATOM 0 HA ILE A 3 7.778 -5.411 1.630 1.00 0.42 H new ATOM 0 HB ILE A 3 6.219 -3.574 1.359 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.687 -3.897 -1.594 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.201 -4.298 -0.755 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.052 -2.110 0.615 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.689 -3.412 1.648 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.888 -3.500 -0.118 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.124 -1.956 -1.604 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.085 -1.979 0.175 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.593 -1.571 -0.676 1.00 0.72 H new ATOM 56 N PHE A 4 5.186 -6.154 1.670 1.00 0.37 N ATOM 57 CA PHE A 4 3.911 -6.798 1.744 1.00 0.38 C ATOM 58 C PHE A 4 2.862 -5.756 1.926 1.00 0.39 C ATOM 59 O PHE A 4 3.107 -4.676 2.463 1.00 0.60 O ATOM 60 CB PHE A 4 3.846 -7.778 2.927 1.00 0.45 C ATOM 61 CG PHE A 4 5.064 -8.630 3.026 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.292 -9.596 2.074 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.690 -8.708 4.247 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.271 -10.529 2.320 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.694 -9.617 4.483 1.00 1.40 C ATOM 66 CZ PHE A 4 7.031 -10.477 3.464 1.00 0.85 C ATOM 0 H PHE A 4 5.440 -5.663 2.527 1.00 0.37 H new ATOM 0 HA PHE A 4 3.752 -7.360 0.823 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.722 -7.217 3.853 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.968 -8.415 2.820 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.718 -9.621 1.159 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.386 -8.040 5.039 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.446 -11.317 1.602 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.201 -9.654 5.436 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.897 -11.115 3.563 1.00 0.85 H new ATOM 76 N VAL A 5 1.697 -6.133 1.369 1.00 0.35 N ATOM 77 CA VAL A 5 0.425 -5.494 1.499 1.00 0.35 C ATOM 78 C VAL A 5 -0.529 -6.487 2.067 1.00 0.35 C ATOM 79 O VAL A 5 -0.701 -7.549 1.470 1.00 0.46 O ATOM 80 CB VAL A 5 -0.009 -4.951 0.169 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.269 -4.108 0.422 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.195 -4.171 -0.387 1.00 0.56 C ATOM 0 H VAL A 5 1.643 -6.960 0.774 1.00 0.35 H new ATOM 0 HA VAL A 5 0.470 -4.640 2.175 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.281 -5.700 -0.575 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.623 -3.691 -0.521 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.047 -4.737 0.855 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.032 -3.298 1.111 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.938 -3.750 -1.359 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.455 -3.366 0.300 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.045 -4.844 -0.496 1.00 0.56 H new ATOM 92 N LYS A 6 -1.002 -6.250 3.304 1.00 0.36 N ATOM 93 CA LYS A 6 -1.857 -7.174 3.982 1.00 0.39 C ATOM 94 C LYS A 6 -3.212 -6.577 3.821 1.00 0.46 C ATOM 95 O LYS A 6 -3.449 -5.381 3.985 1.00 0.53 O ATOM 96 CB LYS A 6 -1.553 -7.558 5.441 1.00 0.54 C ATOM 97 CG LYS A 6 -0.548 -8.707 5.545 1.00 1.22 C ATOM 98 CD LYS A 6 -0.695 -9.311 6.943 1.00 1.37 C ATOM 99 CE LYS A 6 0.372 -10.358 7.267 1.00 1.93 C ATOM 100 NZ LYS A 6 0.184 -11.018 8.579 1.00 2.09 N ATOM 0 H LYS A 6 -0.789 -5.408 3.839 1.00 0.36 H new ATOM 0 HA LYS A 6 -1.716 -8.156 3.531 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.162 -6.688 5.969 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.480 -7.843 5.939 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.742 -9.458 4.779 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.468 -8.345 5.387 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.646 -8.512 7.683 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.681 -9.768 7.032 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.371 -11.118 6.485 1.00 1.93 H new ATOM 0 HE3 LYS A 6 1.352 -9.882 7.248 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.943 -11.713 8.730 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.214 -10.304 9.334 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.737 -11.501 8.596 1.00 2.09 H new ATOM 114 N THR A 7 -4.233 -7.351 3.412 1.00 0.58 N ATOM 115 CA THR A 7 -5.627 -7.053 3.299 1.00 0.78 C ATOM 116 C THR A 7 -6.386 -7.273 4.562 1.00 0.94 C ATOM 117 O THR A 7 -5.855 -7.908 5.471 1.00 0.99 O ATOM 118 CB THR A 7 -6.367 -7.680 2.154 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.625 -9.051 2.418 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.490 -7.676 0.891 1.00 0.92 C ATOM 0 H THR A 7 -4.051 -8.312 3.123 1.00 0.58 H new ATOM 0 HA THR A 7 -5.589 -5.987 3.074 1.00 0.78 H new ATOM 0 HB THR A 7 -7.287 -7.111 2.021 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.556 -9.258 2.193 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.037 -8.133 0.067 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.232 -6.650 0.630 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.578 -8.242 1.080 1.00 0.92 H new ATOM 128 N LEU A 8 -7.630 -6.795 4.745 1.00 1.17 N ATOM 129 CA LEU A 8 -8.482 -7.049 5.864 1.00 1.39 C ATOM 130 C LEU A 8 -9.153 -8.364 5.667 1.00 1.44 C ATOM 131 O LEU A 8 -9.461 -8.966 6.696 1.00 1.60 O ATOM 132 CB LEU A 8 -9.463 -5.871 6.011 1.00 1.66 C ATOM 133 CG LEU A 8 -8.867 -4.634 6.703 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.997 -3.592 6.757 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.461 -4.890 8.165 1.00 2.43 C ATOM 0 H LEU A 8 -8.072 -6.185 4.057 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.923 -7.117 6.797 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.818 -5.583 5.021 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.332 -6.206 6.577 1.00 1.66 H new ATOM 0 HG LEU A 8 -7.979 -4.330 6.149 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.633 -2.685 7.241 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.324 -3.357 5.744 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.836 -3.994 7.325 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -8.048 -3.977 8.593 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -9.337 -5.196 8.738 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.710 -5.679 8.201 1.00 2.43 H new ATOM 147 N THR A 9 -9.402 -8.790 4.416 1.00 1.41 N ATOM 148 CA THR A 9 -10.132 -9.980 4.107 1.00 1.51 C ATOM 149 C THR A 9 -9.382 -11.205 4.504 1.00 1.37 C ATOM 150 O THR A 9 -9.961 -12.075 5.155 1.00 1.62 O ATOM 151 CB THR A 9 -10.471 -10.079 2.649 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.335 -9.801 1.844 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.410 -8.882 2.423 1.00 2.08 C ATOM 0 H THR A 9 -9.083 -8.287 3.588 1.00 1.41 H new ATOM 0 HA THR A 9 -11.056 -9.915 4.681 1.00 1.51 H new ATOM 0 HB THR A 9 -10.865 -11.065 2.404 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.579 -9.873 0.898 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.723 -8.857 1.379 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.287 -8.982 3.062 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.886 -7.958 2.667 1.00 2.08 H new ATOM 161 N GLY A 10 -8.090 -11.332 4.157 1.00 1.18 N ATOM 162 CA GLY A 10 -7.256 -12.350 4.715 1.00 1.22 C ATOM 163 C GLY A 10 -6.066 -12.705 3.891 1.00 0.99 C ATOM 164 O GLY A 10 -5.770 -13.887 3.732 1.00 1.31 O ATOM 0 H GLY A 10 -7.620 -10.725 3.485 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.916 -12.023 5.697 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.855 -13.248 4.868 1.00 1.22 H new ATOM 168 N LYS A 11 -5.323 -11.726 3.342 1.00 0.73 N ATOM 169 CA LYS A 11 -4.415 -11.982 2.267 1.00 0.60 C ATOM 170 C LYS A 11 -3.195 -11.140 2.417 1.00 0.51 C ATOM 171 O LYS A 11 -3.176 -10.020 2.923 1.00 0.63 O ATOM 172 CB LYS A 11 -4.950 -11.704 0.852 1.00 0.75 C ATOM 173 CG LYS A 11 -6.329 -12.256 0.485 1.00 0.87 C ATOM 174 CD LYS A 11 -6.525 -12.222 -1.031 1.00 1.04 C ATOM 175 CE LYS A 11 -6.269 -10.844 -1.646 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.907 -10.835 -2.982 1.00 1.40 N ATOM 0 H LYS A 11 -5.352 -10.752 3.645 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.225 -13.053 2.345 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -4.974 -10.624 0.710 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.230 -12.103 0.138 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -6.428 -13.279 0.849 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -7.106 -11.667 0.973 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.856 -12.948 -1.493 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -7.543 -12.533 -1.265 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.685 -10.058 -1.016 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.199 -10.653 -1.729 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.172 -10.813 -3.718 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -7.486 -11.692 -3.096 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -7.512 -9.994 -3.072 1.00 1.40 H new ATOM 190 N THR A 12 -2.036 -11.668 1.984 1.00 0.49 N ATOM 191 CA THR A 12 -0.833 -10.899 1.906 1.00 0.48 C ATOM 192 C THR A 12 -0.539 -10.788 0.450 1.00 0.52 C ATOM 193 O THR A 12 -0.615 -11.783 -0.269 1.00 0.72 O ATOM 194 CB THR A 12 0.306 -11.637 2.545 1.00 0.64 C ATOM 195 OG1 THR A 12 0.001 -11.896 3.907 1.00 0.77 O ATOM 196 CG2 THR A 12 1.456 -10.616 2.594 1.00 0.78 C ATOM 0 H THR A 12 -1.932 -12.638 1.685 1.00 0.49 H new ATOM 0 HA THR A 12 -0.949 -9.938 2.406 1.00 0.48 H new ATOM 0 HB THR A 12 0.521 -12.561 2.008 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.745 -12.380 4.323 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.332 -11.077 3.050 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.700 -10.294 1.582 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.151 -9.753 3.186 1.00 0.78 H new ATOM 204 N ILE A 13 -0.177 -9.599 -0.066 1.00 0.48 N ATOM 205 CA ILE A 13 0.206 -9.338 -1.419 1.00 0.55 C ATOM 206 C ILE A 13 1.658 -9.007 -1.376 1.00 0.51 C ATOM 207 O ILE A 13 2.039 -7.949 -0.879 1.00 0.56 O ATOM 208 CB ILE A 13 -0.550 -8.247 -2.116 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.048 -8.266 -1.766 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.158 -8.407 -3.594 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.788 -7.212 -2.589 1.00 1.55 C ATOM 0 H ILE A 13 -0.151 -8.757 0.508 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.028 -10.225 -2.008 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.294 -7.238 -1.794 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.464 -9.254 -1.965 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.184 -8.071 -0.702 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.665 -7.647 -4.189 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.921 -8.290 -3.699 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.451 -9.397 -3.943 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.848 -7.231 -2.336 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.380 -6.226 -2.368 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.664 -7.427 -3.651 1.00 1.55 H new ATOM 223 N THR A 14 2.518 -9.924 -1.855 1.00 0.55 N ATOM 224 CA THR A 14 3.943 -9.807 -1.866 1.00 0.54 C ATOM 225 C THR A 14 4.361 -9.154 -3.138 1.00 0.55 C ATOM 226 O THR A 14 4.030 -9.557 -4.252 1.00 0.72 O ATOM 227 CB THR A 14 4.744 -11.063 -1.689 1.00 0.67 C ATOM 228 OG1 THR A 14 4.298 -11.646 -0.474 1.00 1.08 O ATOM 229 CG2 THR A 14 6.254 -10.788 -1.593 1.00 1.03 C ATOM 0 H THR A 14 2.196 -10.803 -2.260 1.00 0.55 H new ATOM 0 HA THR A 14 4.166 -9.219 -0.976 1.00 0.54 H new ATOM 0 HB THR A 14 4.600 -11.715 -2.551 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.833 -11.300 0.271 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.788 -11.730 -1.466 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.594 -10.299 -2.506 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.452 -10.140 -0.739 1.00 1.03 H new ATOM 237 N LEU A 15 4.954 -7.955 -2.992 1.00 0.50 N ATOM 238 CA LEU A 15 5.228 -7.112 -4.115 1.00 0.55 C ATOM 239 C LEU A 15 6.709 -6.994 -4.219 1.00 0.52 C ATOM 240 O LEU A 15 7.499 -7.082 -3.280 1.00 0.58 O ATOM 241 CB LEU A 15 4.741 -5.680 -3.838 1.00 0.69 C ATOM 242 CG LEU A 15 3.233 -5.462 -3.624 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.989 -3.969 -3.343 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.401 -6.062 -4.768 1.00 1.55 C ATOM 0 H LEU A 15 5.244 -7.569 -2.094 1.00 0.50 H new ATOM 0 HA LEU A 15 4.747 -7.529 -5.000 1.00 0.55 H new ATOM 0 HB2 LEU A 15 5.261 -5.315 -2.952 1.00 0.69 H new ATOM 0 HB3 LEU A 15 5.055 -5.053 -4.672 1.00 0.69 H new ATOM 0 HG LEU A 15 2.883 -6.009 -2.749 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.924 -3.797 -3.189 1.00 1.38 H new ATOM 0 HD12 LEU A 15 3.538 -3.673 -2.449 1.00 1.38 H new ATOM 0 HD13 LEU A 15 3.333 -3.378 -4.192 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.342 -5.887 -4.579 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.684 -5.591 -5.709 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.586 -7.134 -4.829 1.00 1.55 H new ATOM 256 N GLU A 16 7.148 -6.708 -5.459 1.00 0.59 N ATOM 257 CA GLU A 16 8.493 -6.275 -5.678 1.00 0.63 C ATOM 258 C GLU A 16 8.454 -4.852 -6.116 1.00 0.65 C ATOM 259 O GLU A 16 7.987 -4.658 -7.238 1.00 0.81 O ATOM 260 CB GLU A 16 9.162 -7.193 -6.716 1.00 0.76 C ATOM 261 CG GLU A 16 10.684 -7.058 -6.786 1.00 1.41 C ATOM 262 CD GLU A 16 11.411 -7.713 -5.620 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.297 -8.964 -5.506 1.00 1.95 O ATOM 264 OE2 GLU A 16 12.083 -6.946 -4.880 1.00 1.92 O ATOM 0 H GLU A 16 6.578 -6.776 -6.302 1.00 0.59 H new ATOM 0 HA GLU A 16 9.088 -6.338 -4.767 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.911 -8.228 -6.484 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.744 -6.976 -7.699 1.00 0.76 H new ATOM 0 HG2 GLU A 16 11.037 -7.501 -7.717 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.945 -6.000 -6.817 1.00 1.41 H new ATOM 271 N VAL A 17 9.043 -3.912 -5.355 1.00 0.61 N ATOM 272 CA VAL A 17 9.029 -2.523 -5.694 1.00 0.63 C ATOM 273 C VAL A 17 10.470 -2.164 -5.574 1.00 0.65 C ATOM 274 O VAL A 17 11.315 -2.989 -5.235 1.00 0.76 O ATOM 275 CB VAL A 17 8.102 -1.679 -4.870 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.640 -2.062 -5.155 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.457 -1.814 -3.379 1.00 0.92 C ATOM 0 H VAL A 17 9.538 -4.121 -4.488 1.00 0.61 H new ATOM 0 HA VAL A 17 8.618 -2.331 -6.685 1.00 0.63 H new ATOM 0 HB VAL A 17 8.221 -0.631 -5.143 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.977 -1.442 -4.551 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.422 -1.904 -6.211 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.483 -3.111 -4.905 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.780 -1.199 -2.787 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.360 -2.856 -3.075 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.483 -1.483 -3.218 1.00 0.92 H new ATOM 287 N GLU A 18 10.862 -0.913 -5.875 1.00 0.68 N ATOM 288 CA GLU A 18 12.054 -0.170 -5.608 1.00 0.74 C ATOM 289 C GLU A 18 11.703 0.916 -4.649 1.00 0.71 C ATOM 290 O GLU A 18 10.541 1.304 -4.556 1.00 0.74 O ATOM 291 CB GLU A 18 12.690 0.318 -6.920 1.00 0.88 C ATOM 292 CG GLU A 18 12.755 -0.712 -8.049 1.00 1.16 C ATOM 293 CD GLU A 18 13.491 -0.270 -9.305 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.748 -0.191 -9.273 1.00 2.33 O ATOM 295 OE2 GLU A 18 12.767 -0.089 -10.320 1.00 2.35 O ATOM 0 H GLU A 18 10.217 -0.324 -6.402 1.00 0.68 H new ATOM 0 HA GLU A 18 12.823 -0.787 -5.143 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.130 1.183 -7.274 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.703 0.660 -6.706 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.235 -1.613 -7.667 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.737 -0.986 -8.325 1.00 1.16 H new ATOM 302 N PRO A 19 12.550 1.466 -3.830 1.00 0.74 N ATOM 303 CA PRO A 19 12.209 2.399 -2.795 1.00 0.74 C ATOM 304 C PRO A 19 11.976 3.756 -3.364 1.00 0.70 C ATOM 305 O PRO A 19 11.477 4.602 -2.623 1.00 0.74 O ATOM 306 CB PRO A 19 13.319 2.377 -1.746 1.00 0.86 C ATOM 307 CG PRO A 19 14.552 1.937 -2.552 1.00 0.95 C ATOM 308 CD PRO A 19 13.918 1.023 -3.614 1.00 0.82 C ATOM 0 HA PRO A 19 11.274 2.114 -2.313 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.463 3.357 -1.291 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.096 1.680 -0.938 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.073 2.784 -2.999 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.277 1.406 -1.935 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.485 1.069 -4.544 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.934 -0.015 -3.282 1.00 0.82 H new ATOM 316 N SER A 20 12.206 3.980 -4.670 1.00 0.70 N ATOM 317 CA SER A 20 12.108 5.254 -5.313 1.00 0.74 C ATOM 318 C SER A 20 10.811 5.302 -6.045 1.00 0.71 C ATOM 319 O SER A 20 10.485 6.225 -6.790 1.00 0.80 O ATOM 320 CB SER A 20 13.226 5.526 -6.333 1.00 0.89 C ATOM 321 OG SER A 20 14.526 5.106 -5.946 1.00 1.45 O ATOM 0 H SER A 20 12.474 3.233 -5.311 1.00 0.70 H new ATOM 0 HA SER A 20 12.191 6.009 -4.532 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.967 5.031 -7.269 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.255 6.596 -6.536 1.00 0.89 H new ATOM 0 HG SER A 20 15.164 5.320 -6.658 1.00 1.45 H new ATOM 327 N ASP A 21 10.033 4.216 -5.883 1.00 0.70 N ATOM 328 CA ASP A 21 8.692 4.239 -6.378 1.00 0.73 C ATOM 329 C ASP A 21 7.714 4.909 -5.475 1.00 0.64 C ATOM 330 O ASP A 21 7.983 5.030 -4.282 1.00 0.66 O ATOM 331 CB ASP A 21 8.189 2.794 -6.536 1.00 0.87 C ATOM 332 CG ASP A 21 8.798 2.297 -7.840 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.528 2.920 -8.902 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.613 1.336 -7.844 1.00 1.69 O ATOM 0 H ASP A 21 10.319 3.350 -5.426 1.00 0.70 H new ATOM 0 HA ASP A 21 8.742 4.796 -7.314 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.501 2.175 -5.695 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.100 2.758 -6.572 1.00 0.87 H new ATOM 339 N THR A 22 6.667 5.514 -6.065 1.00 0.63 N ATOM 340 CA THR A 22 5.662 6.240 -5.351 1.00 0.58 C ATOM 341 C THR A 22 4.722 5.314 -4.659 1.00 0.53 C ATOM 342 O THR A 22 4.570 4.158 -5.051 1.00 0.58 O ATOM 343 CB THR A 22 4.896 7.202 -6.209 1.00 0.63 C ATOM 344 OG1 THR A 22 4.267 6.589 -7.325 1.00 0.70 O ATOM 345 CG2 THR A 22 5.883 8.218 -6.807 1.00 0.75 C ATOM 0 H THR A 22 6.515 5.497 -7.073 1.00 0.63 H new ATOM 0 HA THR A 22 6.198 6.834 -4.611 1.00 0.58 H new ATOM 0 HB THR A 22 4.136 7.643 -5.564 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.784 7.267 -7.842 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.341 8.926 -7.434 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.384 8.756 -6.002 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.625 7.693 -7.409 1.00 0.75 H new ATOM 353 N ILE A 23 3.997 5.788 -3.631 1.00 0.51 N ATOM 354 CA ILE A 23 2.962 5.068 -2.955 1.00 0.48 C ATOM 355 C ILE A 23 1.821 4.885 -3.895 1.00 0.48 C ATOM 356 O ILE A 23 1.091 3.906 -3.754 1.00 0.51 O ATOM 357 CB ILE A 23 2.513 5.769 -1.707 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.618 5.864 -0.642 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.322 4.996 -1.116 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.325 4.564 -0.261 1.00 0.73 C ATOM 0 H ILE A 23 4.140 6.724 -3.251 1.00 0.51 H new ATOM 0 HA ILE A 23 3.353 4.099 -2.644 1.00 0.48 H new ATOM 0 HB ILE A 23 2.240 6.788 -1.982 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.371 6.568 -0.996 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.182 6.291 0.262 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.982 5.492 -0.207 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.509 4.970 -1.841 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.630 3.977 -0.880 1.00 0.61 H new ATOM 0 HD11 ILE A 23 5.080 4.769 0.498 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.597 3.856 0.134 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.803 4.138 -1.143 1.00 0.73 H new ATOM 372 N GLU A 24 1.606 5.748 -4.905 1.00 0.50 N ATOM 373 CA GLU A 24 0.690 5.540 -5.983 1.00 0.53 C ATOM 374 C GLU A 24 1.038 4.350 -6.810 1.00 0.50 C ATOM 375 O GLU A 24 0.132 3.703 -7.335 1.00 0.55 O ATOM 376 CB GLU A 24 0.501 6.795 -6.852 1.00 0.64 C ATOM 377 CG GLU A 24 -0.817 6.708 -7.625 1.00 0.95 C ATOM 378 CD GLU A 24 -1.010 7.935 -8.506 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.109 8.350 -9.282 1.00 1.56 O ATOM 380 OE2 GLU A 24 -2.116 8.531 -8.414 1.00 1.62 O ATOM 0 H GLU A 24 2.098 6.639 -4.972 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.272 5.331 -5.515 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.504 7.686 -6.223 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.334 6.893 -7.548 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.824 5.808 -8.240 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.649 6.622 -6.926 1.00 0.95 H new ATOM 387 N ASN A 25 2.340 4.064 -6.986 1.00 0.51 N ATOM 388 CA ASN A 25 2.860 2.979 -7.759 1.00 0.52 C ATOM 389 C ASN A 25 2.467 1.698 -7.107 1.00 0.47 C ATOM 390 O ASN A 25 2.100 0.760 -7.812 1.00 0.53 O ATOM 391 CB ASN A 25 4.375 3.101 -7.999 1.00 0.64 C ATOM 392 CG ASN A 25 4.870 2.235 -9.148 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.654 1.301 -8.985 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.329 2.549 -10.355 1.00 1.57 N ATOM 0 H ASN A 25 3.076 4.627 -6.561 1.00 0.51 H new ATOM 0 HA ASN A 25 2.426 3.005 -8.758 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.621 4.143 -8.205 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.905 2.822 -7.088 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.569 1.999 -11.180 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.683 3.334 -10.436 1.00 1.57 H new ATOM 401 N VAL A 26 2.534 1.646 -5.765 1.00 0.45 N ATOM 402 CA VAL A 26 2.115 0.525 -4.983 1.00 0.44 C ATOM 403 C VAL A 26 0.652 0.259 -5.072 1.00 0.40 C ATOM 404 O VAL A 26 0.198 -0.868 -5.255 1.00 0.44 O ATOM 405 CB VAL A 26 2.451 0.751 -3.538 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.095 -0.500 -2.718 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.982 0.903 -3.535 1.00 0.62 C ATOM 0 H VAL A 26 2.895 2.416 -5.202 1.00 0.45 H new ATOM 0 HA VAL A 26 2.645 -0.337 -5.389 1.00 0.44 H new ATOM 0 HB VAL A 26 1.919 1.604 -3.117 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.341 -0.330 -1.670 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.029 -0.705 -2.812 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.663 -1.353 -3.090 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.329 1.073 -2.516 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.439 -0.006 -3.927 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.265 1.750 -4.161 1.00 0.62 H new ATOM 417 N LYS A 27 -0.139 1.346 -5.125 1.00 0.40 N ATOM 418 CA LYS A 27 -1.513 1.230 -5.501 1.00 0.41 C ATOM 419 C LYS A 27 -1.835 0.679 -6.847 1.00 0.38 C ATOM 420 O LYS A 27 -2.756 -0.106 -7.066 1.00 0.42 O ATOM 421 CB LYS A 27 -2.319 2.534 -5.373 1.00 0.51 C ATOM 422 CG LYS A 27 -2.285 3.128 -3.963 1.00 0.76 C ATOM 423 CD LYS A 27 -2.865 4.532 -3.778 1.00 0.82 C ATOM 424 CE LYS A 27 -2.801 4.908 -2.297 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.807 5.943 -1.970 1.00 1.11 N ATOM 0 H LYS A 27 0.168 2.295 -4.910 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.807 0.487 -4.760 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.927 3.267 -6.078 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.354 2.343 -5.655 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.822 2.451 -3.299 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.247 3.145 -3.629 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.304 5.252 -4.373 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.896 4.562 -4.130 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.973 4.022 -1.685 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.804 5.275 -2.054 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.457 6.532 -1.188 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.975 6.540 -2.805 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.697 5.485 -1.687 1.00 1.11 H new ATOM 439 N ALA A 28 -1.046 1.076 -7.862 1.00 0.39 N ATOM 440 CA ALA A 28 -1.187 0.567 -9.191 1.00 0.39 C ATOM 441 C ALA A 28 -0.896 -0.890 -9.301 1.00 0.36 C ATOM 442 O ALA A 28 -1.463 -1.647 -10.087 1.00 0.42 O ATOM 443 CB ALA A 28 -0.278 1.459 -10.053 1.00 0.51 C ATOM 0 H ALA A 28 -0.298 1.762 -7.758 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.220 0.616 -9.535 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.329 1.134 -11.092 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.610 2.495 -9.980 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.750 1.382 -9.698 1.00 0.51 H new ATOM 449 N LYS A 29 0.101 -1.359 -8.530 1.00 0.39 N ATOM 450 CA LYS A 29 0.406 -2.744 -8.348 1.00 0.43 C ATOM 451 C LYS A 29 -0.699 -3.556 -7.767 1.00 0.44 C ATOM 452 O LYS A 29 -1.047 -4.628 -8.260 1.00 0.54 O ATOM 453 CB LYS A 29 1.710 -2.853 -7.539 1.00 0.54 C ATOM 454 CG LYS A 29 2.896 -2.808 -8.505 1.00 0.65 C ATOM 455 CD LYS A 29 4.204 -2.762 -7.713 1.00 1.08 C ATOM 456 CE LYS A 29 5.444 -2.812 -8.607 1.00 1.24 C ATOM 457 NZ LYS A 29 5.767 -4.131 -9.196 1.00 1.44 N ATOM 0 H LYS A 29 0.724 -0.743 -8.009 1.00 0.39 H new ATOM 0 HA LYS A 29 0.541 -3.185 -9.335 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.778 -2.036 -6.820 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.723 -3.782 -6.968 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.883 -3.684 -9.153 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.819 -1.933 -9.150 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.229 -1.850 -7.116 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.231 -3.600 -7.016 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.311 -2.097 -9.419 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.302 -2.477 -8.024 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.035 -4.009 -10.193 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.558 -4.560 -8.674 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.935 -4.752 -9.135 1.00 1.44 H new ATOM 471 N ILE A 30 -1.339 -3.096 -6.676 1.00 0.41 N ATOM 472 CA ILE A 30 -2.515 -3.673 -6.101 1.00 0.44 C ATOM 473 C ILE A 30 -3.701 -3.594 -7.000 1.00 0.45 C ATOM 474 O ILE A 30 -4.504 -4.524 -7.047 1.00 0.56 O ATOM 475 CB ILE A 30 -2.746 -3.055 -4.754 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.579 -3.293 -3.781 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.125 -3.372 -4.150 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.524 -2.218 -2.698 1.00 1.32 C ATOM 0 H ILE A 30 -1.016 -2.274 -6.166 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.358 -4.743 -5.969 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.769 -1.980 -4.931 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.685 -4.273 -3.317 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.640 -3.302 -4.334 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.215 -2.890 -3.177 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.907 -3.001 -4.813 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.231 -4.450 -4.032 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.687 -2.418 -2.029 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.392 -1.241 -3.162 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.454 -2.227 -2.129 1.00 1.32 H new ATOM 490 N GLN A 31 -3.833 -2.543 -7.829 1.00 0.41 N ATOM 491 CA GLN A 31 -4.815 -2.507 -8.867 1.00 0.48 C ATOM 492 C GLN A 31 -4.660 -3.549 -9.921 1.00 0.52 C ATOM 493 O GLN A 31 -5.674 -4.013 -10.441 1.00 0.66 O ATOM 494 CB GLN A 31 -4.791 -1.184 -9.652 1.00 0.52 C ATOM 495 CG GLN A 31 -5.827 -0.989 -10.761 1.00 0.70 C ATOM 496 CD GLN A 31 -6.001 0.355 -11.453 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.229 1.309 -11.370 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.233 0.506 -12.008 1.00 1.43 N ATOM 0 H GLN A 31 -3.250 -1.707 -7.778 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.736 -2.662 -8.306 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.909 -0.369 -8.937 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.802 -1.077 -10.097 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.602 -1.720 -11.538 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.796 -1.258 -10.341 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.865 -0.292 -12.072 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.525 1.417 -12.361 1.00 1.43 H new ATOM 507 N ASP A 32 -3.412 -3.853 -10.324 1.00 0.50 N ATOM 508 CA ASP A 32 -3.069 -4.928 -11.201 1.00 0.60 C ATOM 509 C ASP A 32 -3.427 -6.257 -10.630 1.00 0.65 C ATOM 510 O ASP A 32 -3.928 -7.166 -11.291 1.00 0.81 O ATOM 511 CB ASP A 32 -1.606 -4.714 -11.624 1.00 0.67 C ATOM 512 CG ASP A 32 -1.041 -5.513 -12.791 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.806 -5.641 -13.783 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.174 -5.845 -12.807 1.00 1.55 O ATOM 0 H ASP A 32 -2.599 -3.318 -10.020 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.665 -4.927 -12.114 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.486 -3.657 -11.862 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.981 -4.918 -10.755 1.00 0.67 H new ATOM 519 N LYS A 33 -3.138 -6.486 -9.337 1.00 0.62 N ATOM 520 CA LYS A 33 -3.425 -7.677 -8.600 1.00 0.73 C ATOM 521 C LYS A 33 -4.868 -7.969 -8.366 1.00 0.69 C ATOM 522 O LYS A 33 -5.459 -8.950 -8.814 1.00 0.83 O ATOM 523 CB LYS A 33 -2.657 -7.708 -7.268 1.00 0.85 C ATOM 524 CG LYS A 33 -1.136 -7.672 -7.426 1.00 1.31 C ATOM 525 CD LYS A 33 -0.347 -8.958 -7.175 1.00 1.71 C ATOM 526 CE LYS A 33 0.729 -9.235 -8.227 1.00 2.26 C ATOM 527 NZ LYS A 33 1.285 -10.603 -8.130 1.00 2.62 N ATOM 0 H LYS A 33 -2.668 -5.785 -8.765 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.079 -8.475 -9.257 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.969 -6.858 -6.661 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.934 -8.610 -6.722 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.916 -7.340 -8.441 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.750 -6.909 -6.750 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.124 -8.899 -6.194 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.040 -9.799 -7.147 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.306 -9.089 -9.221 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.536 -8.511 -8.115 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.009 -10.737 -8.865 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.715 -10.737 -7.193 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.523 -11.298 -8.264 1.00 2.62 H new ATOM 541 N GLU A 34 -5.574 -6.999 -7.758 1.00 0.63 N ATOM 542 CA GLU A 34 -6.877 -7.070 -7.174 1.00 0.67 C ATOM 543 C GLU A 34 -7.868 -6.505 -8.132 1.00 0.69 C ATOM 544 O GLU A 34 -8.844 -7.206 -8.400 1.00 0.95 O ATOM 545 CB GLU A 34 -6.989 -6.195 -5.914 1.00 0.73 C ATOM 546 CG GLU A 34 -6.036 -6.616 -4.795 1.00 0.83 C ATOM 547 CD GLU A 34 -6.400 -7.960 -4.180 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.488 -8.294 -3.640 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.490 -8.830 -4.183 1.00 1.37 O ATOM 0 H GLU A 34 -5.184 -6.061 -7.667 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.059 -8.117 -6.930 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.787 -5.158 -6.182 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -8.013 -6.235 -5.543 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -5.021 -6.666 -5.189 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -6.039 -5.853 -4.016 1.00 0.83 H new ATOM 556 N GLY A 35 -7.699 -5.255 -8.599 1.00 0.63 N ATOM 557 CA GLY A 35 -8.634 -4.597 -9.457 1.00 0.68 C ATOM 558 C GLY A 35 -9.150 -3.313 -8.905 1.00 0.76 C ATOM 559 O GLY A 35 -9.920 -2.573 -9.516 1.00 1.12 O ATOM 0 H GLY A 35 -6.885 -4.684 -8.372 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.158 -4.404 -10.419 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.474 -5.265 -9.645 1.00 0.68 H new ATOM 563 N ILE A 36 -8.876 -2.983 -7.631 1.00 0.70 N ATOM 564 CA ILE A 36 -9.335 -1.856 -6.880 1.00 0.76 C ATOM 565 C ILE A 36 -8.565 -0.735 -7.488 1.00 0.71 C ATOM 566 O ILE A 36 -7.340 -0.824 -7.426 1.00 0.73 O ATOM 567 CB ILE A 36 -8.987 -1.954 -5.424 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.561 -3.269 -4.872 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.469 -0.746 -4.603 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.404 -3.474 -3.366 1.00 1.16 C ATOM 0 H ILE A 36 -8.265 -3.574 -7.067 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.420 -1.754 -6.918 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.901 -1.949 -5.332 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.622 -3.314 -5.119 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.079 -4.100 -5.386 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.186 -0.879 -3.559 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.010 0.164 -4.990 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.553 -0.665 -4.677 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.842 -4.431 -3.081 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -8.345 -3.468 -3.106 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.913 -2.670 -2.834 1.00 1.16 H new ATOM 582 N PRO A 37 -9.178 0.319 -7.940 1.00 0.75 N ATOM 583 CA PRO A 37 -8.478 1.467 -8.440 1.00 0.79 C ATOM 584 C PRO A 37 -7.799 2.236 -7.360 1.00 0.75 C ATOM 585 O PRO A 37 -8.230 2.150 -6.212 1.00 0.75 O ATOM 586 CB PRO A 37 -9.617 2.261 -9.075 1.00 0.95 C ATOM 587 CG PRO A 37 -10.917 1.927 -8.327 1.00 1.02 C ATOM 588 CD PRO A 37 -10.603 0.538 -7.748 1.00 0.85 C ATOM 0 HA PRO A 37 -7.667 1.221 -9.125 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.411 3.330 -9.019 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.712 2.009 -10.131 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.137 2.655 -7.546 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.778 1.906 -8.995 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.863 0.492 -6.690 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.185 -0.233 -8.253 1.00 0.85 H new ATOM 596 N PRO A 38 -6.848 3.061 -7.687 1.00 0.81 N ATOM 597 CA PRO A 38 -6.045 3.717 -6.697 1.00 0.85 C ATOM 598 C PRO A 38 -6.787 4.748 -5.919 1.00 0.89 C ATOM 599 O PRO A 38 -6.279 5.119 -4.863 1.00 0.99 O ATOM 600 CB PRO A 38 -4.855 4.384 -7.384 1.00 1.01 C ATOM 601 CG PRO A 38 -4.597 3.330 -8.474 1.00 1.25 C ATOM 602 CD PRO A 38 -6.015 2.883 -8.866 1.00 0.98 C ATOM 0 HA PRO A 38 -5.726 2.950 -5.991 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.098 5.364 -7.793 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.004 4.519 -6.717 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.058 3.751 -9.323 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.001 2.498 -8.098 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.392 3.476 -9.699 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.018 1.842 -9.189 1.00 0.98 H new ATOM 610 N ASP A 39 -8.001 5.176 -6.309 1.00 0.96 N ATOM 611 CA ASP A 39 -8.793 6.107 -5.567 1.00 1.11 C ATOM 612 C ASP A 39 -9.401 5.422 -4.392 1.00 1.00 C ATOM 613 O ASP A 39 -9.724 5.987 -3.348 1.00 1.14 O ATOM 614 CB ASP A 39 -9.730 6.885 -6.508 1.00 1.39 C ATOM 615 CG ASP A 39 -10.202 8.258 -6.049 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.266 9.096 -5.963 1.00 2.25 O ATOM 617 OD2 ASP A 39 -11.413 8.382 -5.720 1.00 2.23 O ATOM 0 H ASP A 39 -8.447 4.863 -7.171 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.189 6.897 -5.121 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.222 7.006 -7.465 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.611 6.270 -6.690 1.00 1.39 H new ATOM 622 N GLN A 40 -9.618 4.098 -4.489 1.00 0.87 N ATOM 623 CA GLN A 40 -10.286 3.323 -3.490 1.00 0.84 C ATOM 624 C GLN A 40 -9.259 2.811 -2.541 1.00 0.67 C ATOM 625 O GLN A 40 -9.695 2.278 -1.522 1.00 0.80 O ATOM 626 CB GLN A 40 -11.154 2.229 -4.135 1.00 0.95 C ATOM 627 CG GLN A 40 -12.389 2.758 -4.868 1.00 1.32 C ATOM 628 CD GLN A 40 -13.154 1.550 -5.388 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.117 0.458 -4.820 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.880 1.802 -6.511 1.00 2.02 N ATOM 0 H GLN A 40 -9.317 3.547 -5.293 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.988 3.931 -2.920 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.543 1.664 -4.838 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.476 1.533 -3.361 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.012 3.348 -4.196 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.098 3.412 -5.690 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.865 2.732 -6.930 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.439 1.061 -6.934 1.00 2.02 H new ATOM 639 N GLN A 41 -7.976 2.765 -2.942 1.00 0.56 N ATOM 640 CA GLN A 41 -7.023 2.289 -1.989 1.00 0.51 C ATOM 641 C GLN A 41 -6.426 3.238 -1.009 1.00 0.49 C ATOM 642 O GLN A 41 -5.770 4.218 -1.361 1.00 0.65 O ATOM 643 CB GLN A 41 -5.864 1.584 -2.715 1.00 0.67 C ATOM 644 CG GLN A 41 -6.389 0.547 -3.709 1.00 0.69 C ATOM 645 CD GLN A 41 -5.154 -0.109 -4.310 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.120 -0.233 -3.655 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.192 -0.323 -5.653 1.00 0.61 N ATOM 0 H GLN A 41 -7.616 3.036 -3.857 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.645 1.636 -1.376 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.257 2.321 -3.240 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.215 1.098 -1.986 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.020 -0.189 -3.211 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.997 1.018 -4.481 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.068 -0.210 -6.163 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.344 -0.596 -6.150 1.00 0.61 H new ATOM 656 N ARG A 42 -6.526 2.944 0.300 1.00 0.47 N ATOM 657 CA ARG A 42 -5.856 3.669 1.335 1.00 0.55 C ATOM 658 C ARG A 42 -4.764 2.846 1.927 1.00 0.46 C ATOM 659 O ARG A 42 -5.019 1.805 2.530 1.00 0.52 O ATOM 660 CB ARG A 42 -6.814 4.111 2.453 1.00 0.73 C ATOM 661 CG ARG A 42 -6.083 4.797 3.609 1.00 1.04 C ATOM 662 CD ARG A 42 -7.027 5.382 4.662 1.00 1.28 C ATOM 663 NE ARG A 42 -7.794 6.542 4.129 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.093 6.655 3.728 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.983 5.658 4.006 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.454 7.783 3.051 1.00 2.78 N ATOM 0 H ARG A 42 -7.094 2.173 0.650 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.440 4.563 0.870 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.558 4.793 2.042 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.352 3.242 2.831 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.418 4.077 4.087 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.456 5.595 3.211 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.720 4.611 4.998 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.452 5.695 5.533 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.253 7.403 4.050 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.677 4.828 4.514 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.954 5.743 3.706 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.761 8.507 2.860 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.417 7.902 2.735 1.00 2.78 H new ATOM 680 N LEU A 43 -3.516 3.333 1.817 1.00 0.46 N ATOM 681 CA LEU A 43 -2.391 2.614 2.330 1.00 0.42 C ATOM 682 C LEU A 43 -2.014 3.174 3.658 1.00 0.43 C ATOM 683 O LEU A 43 -1.582 4.322 3.754 1.00 0.55 O ATOM 684 CB LEU A 43 -1.158 2.428 1.429 1.00 0.55 C ATOM 685 CG LEU A 43 -1.375 1.502 0.221 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.220 1.693 -0.776 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.546 0.027 0.623 1.00 1.12 C ATOM 0 H LEU A 43 -3.285 4.222 1.374 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.754 1.589 2.402 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.840 3.406 1.067 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.342 2.030 2.032 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.313 1.781 -0.258 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.369 1.039 -1.635 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.196 2.730 -1.110 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.724 1.446 -0.291 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.696 -0.579 -0.271 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.653 -0.313 1.147 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.411 -0.074 1.279 1.00 1.12 H new ATOM 699 N ILE A 44 -2.368 2.394 4.694 1.00 0.42 N ATOM 700 CA ILE A 44 -2.143 2.691 6.076 1.00 0.46 C ATOM 701 C ILE A 44 -0.860 2.059 6.495 1.00 0.42 C ATOM 702 O ILE A 44 -0.701 0.839 6.478 1.00 0.53 O ATOM 703 CB ILE A 44 -3.285 2.229 6.932 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.598 2.834 6.407 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.984 2.764 8.343 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.869 2.519 7.194 1.00 1.27 C ATOM 0 H ILE A 44 -2.841 1.500 4.559 1.00 0.42 H new ATOM 0 HA ILE A 44 -2.077 3.771 6.207 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.392 1.144 6.927 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.481 3.917 6.371 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.741 2.494 5.381 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.780 2.463 9.024 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -2.035 2.357 8.692 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.923 3.852 8.314 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.721 3.005 6.719 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -6.029 1.441 7.210 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.765 2.886 8.215 1.00 1.27 H new ATOM 718 N PHE A 45 0.126 2.863 6.932 1.00 0.42 N ATOM 719 CA PHE A 45 1.356 2.384 7.481 1.00 0.46 C ATOM 720 C PHE A 45 1.756 3.193 8.667 1.00 0.68 C ATOM 721 O PHE A 45 1.519 4.399 8.707 1.00 1.50 O ATOM 722 CB PHE A 45 2.388 2.377 6.341 1.00 0.56 C ATOM 723 CG PHE A 45 3.716 1.958 6.870 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.902 0.662 7.291 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.725 2.856 7.126 1.00 1.19 C ATOM 726 CE1 PHE A 45 4.999 0.278 8.024 1.00 1.20 C ATOM 727 CE2 PHE A 45 5.854 2.463 7.805 1.00 1.33 C ATOM 728 CZ PHE A 45 5.972 1.199 8.334 1.00 1.02 C ATOM 0 H PHE A 45 0.065 3.881 6.902 1.00 0.42 H new ATOM 0 HA PHE A 45 1.264 1.368 7.864 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.068 1.696 5.552 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.459 3.369 5.896 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.160 -0.080 7.037 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.630 3.878 6.791 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.097 -0.745 8.356 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.667 3.163 7.926 1.00 1.33 H new ATOM 0 HZ PHE A 45 6.803 0.938 8.973 1.00 1.02 H new ATOM 738 N ALA A 46 2.251 2.561 9.746 1.00 0.81 N ATOM 739 CA ALA A 46 2.815 3.118 10.937 1.00 0.96 C ATOM 740 C ALA A 46 1.895 4.047 11.653 1.00 0.97 C ATOM 741 O ALA A 46 2.220 5.153 12.082 1.00 1.21 O ATOM 742 CB ALA A 46 4.145 3.868 10.759 1.00 1.20 C ATOM 0 H ALA A 46 2.255 1.542 9.785 1.00 0.81 H new ATOM 0 HA ALA A 46 2.998 2.216 11.522 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.481 4.248 11.724 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.895 3.188 10.356 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.004 4.701 10.071 1.00 1.20 H new ATOM 748 N GLY A 47 0.608 3.667 11.734 1.00 0.99 N ATOM 749 CA GLY A 47 -0.378 4.467 12.390 1.00 1.10 C ATOM 750 C GLY A 47 -0.939 5.538 11.518 1.00 1.03 C ATOM 751 O GLY A 47 -1.972 6.022 11.978 1.00 1.30 O ATOM 0 H GLY A 47 0.248 2.797 11.341 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.189 3.824 12.733 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.064 4.923 13.276 1.00 1.10 H new ATOM 755 N LYS A 48 -0.342 5.968 10.391 1.00 0.98 N ATOM 756 CA LYS A 48 -0.847 7.013 9.557 1.00 1.05 C ATOM 757 C LYS A 48 -1.213 6.558 8.187 1.00 0.84 C ATOM 758 O LYS A 48 -0.910 5.443 7.764 1.00 0.81 O ATOM 759 CB LYS A 48 0.025 8.260 9.332 1.00 1.42 C ATOM 760 CG LYS A 48 1.324 7.907 8.605 1.00 1.61 C ATOM 761 CD LYS A 48 2.098 9.156 8.177 1.00 1.87 C ATOM 762 CE LYS A 48 1.924 9.851 6.826 1.00 2.22 C ATOM 763 NZ LYS A 48 0.762 10.766 6.765 1.00 2.55 N ATOM 0 H LYS A 48 0.531 5.569 10.047 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.702 7.300 10.169 1.00 1.05 H new ATOM 0 HB2 LYS A 48 -0.531 8.995 8.750 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.257 8.722 10.292 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.950 7.298 9.257 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.096 7.303 7.727 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.898 9.912 8.936 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.155 8.900 8.253 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.829 10.414 6.599 1.00 2.22 H new ATOM 0 HE3 LYS A 48 1.818 9.093 6.050 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 0.914 11.470 6.015 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 -0.099 10.220 6.559 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 0.654 11.251 7.678 1.00 2.55 H new ATOM 777 N GLN A 49 -1.844 7.355 7.308 1.00 0.84 N ATOM 778 CA GLN A 49 -2.135 7.071 5.936 1.00 0.80 C ATOM 779 C GLN A 49 -1.192 7.835 5.071 1.00 0.72 C ATOM 780 O GLN A 49 -0.850 8.973 5.388 1.00 0.83 O ATOM 781 CB GLN A 49 -3.624 7.238 5.592 1.00 1.03 C ATOM 782 CG GLN A 49 -4.241 8.548 6.087 1.00 1.67 C ATOM 783 CD GLN A 49 -5.726 8.665 5.776 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.136 8.552 4.621 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.635 8.846 6.771 1.00 2.48 N ATOM 0 H GLN A 49 -2.180 8.278 7.582 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.964 6.013 5.736 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.744 7.179 4.510 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.180 6.404 6.020 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.094 8.627 7.164 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.714 9.386 5.631 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.322 8.942 7.737 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.630 8.885 6.552 1.00 2.48 H new ATOM 794 N LEU A 50 -0.660 7.117 4.067 1.00 0.69 N ATOM 795 CA LEU A 50 0.364 7.574 3.178 1.00 0.66 C ATOM 796 C LEU A 50 -0.101 8.519 2.125 1.00 0.72 C ATOM 797 O LEU A 50 -1.257 8.564 1.707 1.00 0.90 O ATOM 798 CB LEU A 50 1.130 6.398 2.548 1.00 0.65 C ATOM 799 CG LEU A 50 1.598 5.302 3.520 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.230 4.089 2.817 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.592 5.968 4.488 1.00 0.74 C ATOM 0 H LEU A 50 -0.961 6.164 3.864 1.00 0.69 H new ATOM 0 HA LEU A 50 1.041 8.148 3.811 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.493 5.938 1.792 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.004 6.794 2.030 1.00 0.65 H new ATOM 0 HG LEU A 50 0.736 4.893 4.047 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.537 3.356 3.563 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.501 3.638 2.143 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.100 4.412 2.246 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.955 5.229 5.202 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.433 6.373 3.925 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.093 6.775 5.024 1.00 0.74 H new ATOM 813 N GLU A 51 0.860 9.333 1.653 1.00 0.70 N ATOM 814 CA GLU A 51 0.652 10.301 0.623 1.00 0.76 C ATOM 815 C GLU A 51 1.135 9.699 -0.652 1.00 0.77 C ATOM 816 O GLU A 51 2.064 8.898 -0.742 1.00 1.23 O ATOM 817 CB GLU A 51 1.338 11.645 0.917 1.00 0.88 C ATOM 818 CG GLU A 51 0.849 12.446 2.125 1.00 1.35 C ATOM 819 CD GLU A 51 1.005 11.765 3.478 1.00 1.46 C ATOM 820 OE1 GLU A 51 2.102 11.265 3.841 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.001 11.766 4.235 1.00 1.89 O ATOM 0 H GLU A 51 1.818 9.316 2.003 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.409 10.541 0.557 1.00 0.76 H new ATOM 0 HB2 GLU A 51 2.403 11.455 1.050 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.234 12.275 0.033 1.00 0.88 H new ATOM 0 HG2 GLU A 51 1.388 13.393 2.152 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.205 12.683 1.978 1.00 1.35 H new ATOM 828 N ASP A 52 0.406 9.977 -1.748 1.00 0.66 N ATOM 829 CA ASP A 52 0.526 9.306 -3.005 1.00 0.65 C ATOM 830 C ASP A 52 1.638 9.534 -3.971 1.00 0.60 C ATOM 831 O ASP A 52 2.255 8.601 -4.482 1.00 0.62 O ATOM 832 CB ASP A 52 -0.797 9.496 -3.765 1.00 0.81 C ATOM 833 CG ASP A 52 -1.080 10.902 -4.273 1.00 0.95 C ATOM 834 OD1 ASP A 52 -1.413 11.723 -3.377 1.00 1.56 O ATOM 835 OD2 ASP A 52 -0.860 11.234 -5.468 1.00 1.44 O ATOM 0 H ASP A 52 -0.305 10.709 -1.757 1.00 0.66 H new ATOM 0 HA ASP A 52 0.791 8.309 -2.653 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.805 8.815 -4.616 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.615 9.196 -3.110 1.00 0.81 H new ATOM 840 N GLY A 53 2.098 10.772 -4.228 1.00 0.68 N ATOM 841 CA GLY A 53 3.287 11.016 -4.986 1.00 0.73 C ATOM 842 C GLY A 53 4.494 10.951 -4.115 1.00 0.72 C ATOM 843 O GLY A 53 5.600 11.164 -4.610 1.00 0.97 O ATOM 0 H GLY A 53 1.635 11.621 -3.903 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.371 10.280 -5.786 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.227 11.996 -5.459 1.00 0.73 H new ATOM 847 N ARG A 54 4.421 10.684 -2.799 1.00 0.64 N ATOM 848 CA ARG A 54 5.534 10.398 -1.947 1.00 0.63 C ATOM 849 C ARG A 54 6.107 9.052 -2.229 1.00 0.59 C ATOM 850 O ARG A 54 5.364 8.186 -2.688 1.00 0.62 O ATOM 851 CB ARG A 54 5.272 10.449 -0.432 1.00 0.69 C ATOM 852 CG ARG A 54 4.784 11.849 -0.054 1.00 0.82 C ATOM 853 CD ARG A 54 5.868 12.881 -0.370 1.00 1.18 C ATOM 854 NE ARG A 54 5.302 14.131 0.209 1.00 1.50 N ATOM 855 CZ ARG A 54 5.969 14.680 1.265 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.735 13.973 2.147 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.771 16.004 1.533 1.00 2.49 N ATOM 0 H ARG A 54 3.531 10.667 -2.300 1.00 0.64 H new ATOM 0 HA ARG A 54 6.218 11.211 -2.190 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.527 9.704 -0.154 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.183 10.208 0.115 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.873 12.086 -0.603 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.535 11.883 1.007 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.823 12.619 0.086 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.041 12.973 -1.442 1.00 1.18 H new ATOM 0 HE ARG A 54 4.455 14.557 -0.167 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.837 12.964 2.039 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.205 14.454 2.914 1.00 2.48 H new ATOM 0 HH21 ARG A 54 5.139 16.553 0.951 1.00 2.49 H new ATOM 0 HH22 ARG A 54 6.255 16.444 2.316 1.00 2.49 H new ATOM 871 N THR A 55 7.417 8.870 -1.986 1.00 0.63 N ATOM 872 CA THR A 55 8.066 7.630 -2.282 1.00 0.61 C ATOM 873 C THR A 55 8.182 6.767 -1.073 1.00 0.59 C ATOM 874 O THR A 55 8.007 7.165 0.078 1.00 0.64 O ATOM 875 CB THR A 55 9.380 7.712 -3.002 1.00 0.68 C ATOM 876 OG1 THR A 55 10.411 8.298 -2.222 1.00 0.75 O ATOM 877 CG2 THR A 55 9.227 8.537 -4.291 1.00 0.76 C ATOM 0 H THR A 55 8.028 9.582 -1.584 1.00 0.63 H new ATOM 0 HA THR A 55 7.394 7.170 -3.006 1.00 0.61 H new ATOM 0 HB THR A 55 9.666 6.683 -3.222 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.241 8.323 -2.742 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.187 8.590 -4.805 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.492 8.063 -4.942 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.893 9.544 -4.041 1.00 0.76 H new ATOM 885 N LEU A 56 8.534 5.479 -1.236 1.00 0.58 N ATOM 886 CA LEU A 56 8.731 4.521 -0.193 1.00 0.59 C ATOM 887 C LEU A 56 9.950 4.833 0.605 1.00 0.64 C ATOM 888 O LEU A 56 9.974 4.566 1.806 1.00 0.70 O ATOM 889 CB LEU A 56 8.971 3.184 -0.916 1.00 0.60 C ATOM 890 CG LEU A 56 7.660 2.662 -1.527 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.771 1.782 -2.784 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.883 1.917 -0.429 1.00 1.03 C ATOM 0 H LEU A 56 8.692 5.081 -2.162 1.00 0.58 H new ATOM 0 HA LEU A 56 7.877 4.510 0.485 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.718 3.316 -1.699 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.370 2.451 -0.215 1.00 0.60 H new ATOM 0 HG LEU A 56 7.141 3.549 -1.891 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.774 1.484 -3.109 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.259 2.345 -3.580 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.359 0.893 -2.555 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.947 1.537 -0.839 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.482 1.085 -0.060 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.668 2.601 0.392 1.00 1.03 H new ATOM 904 N SER A 57 10.974 5.533 0.085 1.00 0.68 N ATOM 905 CA SER A 57 12.196 6.028 0.641 1.00 0.75 C ATOM 906 C SER A 57 11.984 7.159 1.586 1.00 0.76 C ATOM 907 O SER A 57 12.612 7.230 2.641 1.00 0.84 O ATOM 908 CB SER A 57 13.146 6.619 -0.416 1.00 0.84 C ATOM 909 OG SER A 57 14.442 6.913 0.084 1.00 1.19 O ATOM 0 H SER A 57 10.927 5.793 -0.900 1.00 0.68 H new ATOM 0 HA SER A 57 12.615 5.147 1.128 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.236 5.916 -1.244 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.706 7.531 -0.818 1.00 0.84 H new ATOM 0 HG SER A 57 14.994 7.283 -0.636 1.00 1.19 H new ATOM 915 N ASP A 58 11.047 8.064 1.249 1.00 0.75 N ATOM 916 CA ASP A 58 10.652 9.104 2.146 1.00 0.78 C ATOM 917 C ASP A 58 10.134 8.610 3.453 1.00 0.77 C ATOM 918 O ASP A 58 10.365 9.131 4.543 1.00 0.86 O ATOM 919 CB ASP A 58 9.575 9.896 1.387 1.00 0.83 C ATOM 920 CG ASP A 58 10.031 10.509 0.070 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.223 10.900 -0.039 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.204 10.517 -0.880 1.00 1.86 O ATOM 0 H ASP A 58 10.562 8.074 0.352 1.00 0.75 H new ATOM 0 HA ASP A 58 11.514 9.712 2.419 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.732 9.234 1.189 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.209 10.694 2.034 1.00 0.83 H new ATOM 927 N TYR A 59 9.428 7.467 3.524 1.00 0.72 N ATOM 928 CA TYR A 59 8.884 6.983 4.755 1.00 0.73 C ATOM 929 C TYR A 59 9.791 6.005 5.421 1.00 0.76 C ATOM 930 O TYR A 59 9.566 5.521 6.528 1.00 0.89 O ATOM 931 CB TYR A 59 7.611 6.226 4.342 1.00 0.73 C ATOM 932 CG TYR A 59 6.475 7.113 3.963 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.987 8.050 4.842 1.00 0.74 C ATOM 934 CD2 TYR A 59 6.123 7.077 2.634 1.00 0.67 C ATOM 935 CE1 TYR A 59 5.042 8.928 4.367 1.00 0.77 C ATOM 936 CE2 TYR A 59 5.202 7.979 2.157 1.00 0.70 C ATOM 937 CZ TYR A 59 4.637 8.855 3.055 1.00 0.74 C ATOM 938 OH TYR A 59 3.644 9.675 2.477 1.00 0.86 O ATOM 0 H TYR A 59 9.232 6.872 2.719 1.00 0.72 H new ATOM 0 HA TYR A 59 8.720 7.807 5.449 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.845 5.573 3.501 1.00 0.73 H new ATOM 0 HB3 TYR A 59 7.299 5.584 5.166 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.332 8.095 5.864 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.566 6.348 1.972 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.618 9.674 5.023 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.931 7.999 1.112 1.00 0.70 H new ATOM 0 HH TYR A 59 3.285 10.282 3.157 1.00 0.86 H new ATOM 948 N ASN A 60 10.926 5.782 4.734 1.00 0.74 N ATOM 949 CA ASN A 60 11.941 4.829 5.066 1.00 0.79 C ATOM 950 C ASN A 60 11.596 3.384 5.170 1.00 0.75 C ATOM 951 O ASN A 60 11.937 2.673 6.114 1.00 0.86 O ATOM 952 CB ASN A 60 12.733 5.183 6.335 1.00 0.95 C ATOM 953 CG ASN A 60 13.323 6.580 6.219 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.944 7.561 6.858 1.00 1.84 O ATOM 955 ND2 ASN A 60 14.394 6.629 5.381 1.00 1.83 N ATOM 0 H ASN A 60 11.149 6.305 3.887 1.00 0.74 H new ATOM 0 HA ASN A 60 12.527 4.931 4.153 1.00 0.79 H new ATOM 0 HB2 ASN A 60 12.080 5.128 7.206 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.531 4.456 6.488 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.912 7.500 5.266 1.00 1.83 H new ATOM 0 HD22 ASN A 60 14.679 5.795 4.868 1.00 1.83 H new ATOM 962 N ILE A 61 10.867 2.921 4.139 1.00 0.67 N ATOM 963 CA ILE A 61 10.540 1.553 3.879 1.00 0.65 C ATOM 964 C ILE A 61 11.666 0.890 3.163 1.00 0.66 C ATOM 965 O ILE A 61 11.866 1.151 1.978 1.00 0.75 O ATOM 966 CB ILE A 61 9.235 1.439 3.147 1.00 0.63 C ATOM 967 CG1 ILE A 61 8.118 2.216 3.863 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.881 -0.037 2.901 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.763 2.580 3.257 1.00 0.82 C ATOM 0 H ILE A 61 10.478 3.550 3.436 1.00 0.67 H new ATOM 0 HA ILE A 61 10.402 1.029 4.825 1.00 0.65 H new ATOM 0 HB ILE A 61 9.342 1.906 2.168 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.896 1.651 4.769 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.566 3.159 4.177 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.932 -0.100 2.369 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.664 -0.504 2.303 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.797 -0.555 3.856 1.00 0.72 H new ATOM 0 HD11 ILE A 61 6.173 3.130 3.990 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.914 3.201 2.374 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.234 1.670 2.974 1.00 0.82 H new ATOM 981 N GLN A 62 12.413 0.037 3.886 1.00 0.67 N ATOM 982 CA GLN A 62 13.532 -0.649 3.315 1.00 0.70 C ATOM 983 C GLN A 62 13.398 -2.129 3.412 1.00 0.62 C ATOM 984 O GLN A 62 13.632 -2.906 2.489 1.00 0.64 O ATOM 985 CB GLN A 62 14.826 -0.186 4.005 1.00 0.85 C ATOM 986 CG GLN A 62 16.083 -0.726 3.319 1.00 1.27 C ATOM 987 CD GLN A 62 17.433 -0.119 3.673 1.00 1.57 C ATOM 988 OE1 GLN A 62 17.941 0.028 4.784 1.00 2.08 O ATOM 989 NE2 GLN A 62 18.125 0.359 2.604 1.00 2.16 N ATOM 0 H GLN A 62 12.242 -0.179 4.868 1.00 0.67 H new ATOM 0 HA GLN A 62 13.567 -0.401 2.254 1.00 0.70 H new ATOM 0 HB2 GLN A 62 14.860 0.903 4.012 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.816 -0.512 5.045 1.00 0.85 H new ATOM 0 HG2 GLN A 62 16.138 -1.795 3.526 1.00 1.27 H new ATOM 0 HG3 GLN A 62 15.944 -0.616 2.243 1.00 1.27 H new ATOM 0 HE21 GLN A 62 17.743 0.260 1.663 1.00 2.16 H new ATOM 0 HE22 GLN A 62 19.026 0.817 2.743 1.00 2.16 H new ATOM 998 N LYS A 63 13.050 -2.540 4.645 1.00 0.64 N ATOM 999 CA LYS A 63 12.812 -3.926 4.905 1.00 0.62 C ATOM 1000 C LYS A 63 11.491 -4.450 4.459 1.00 0.59 C ATOM 1001 O LYS A 63 10.681 -3.751 3.853 1.00 0.66 O ATOM 1002 CB LYS A 63 12.970 -4.216 6.407 1.00 0.74 C ATOM 1003 CG LYS A 63 14.309 -3.806 7.023 1.00 0.89 C ATOM 1004 CD LYS A 63 15.471 -4.336 6.180 1.00 1.11 C ATOM 1005 CE LYS A 63 16.833 -4.304 6.874 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.768 -5.244 6.215 1.00 2.12 N ATOM 0 H LYS A 63 12.935 -1.924 5.450 1.00 0.64 H new ATOM 0 HA LYS A 63 13.560 -4.445 4.305 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.172 -3.703 6.944 1.00 0.74 H new ATOM 0 HB3 LYS A 63 12.828 -5.284 6.569 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.367 -2.720 7.091 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.383 -4.194 8.039 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.251 -5.363 5.889 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.533 -3.751 5.263 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.241 -3.294 6.843 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.720 -4.570 7.925 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.689 -5.212 6.697 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.384 -6.209 6.266 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.889 -4.972 5.218 1.00 2.12 H new ATOM 1020 N GLU A 64 11.227 -5.719 4.821 1.00 0.57 N ATOM 1021 CA GLU A 64 10.054 -6.508 4.612 1.00 0.58 C ATOM 1022 C GLU A 64 8.904 -6.067 5.452 1.00 0.56 C ATOM 1023 O GLU A 64 8.603 -6.620 6.507 1.00 0.70 O ATOM 1024 CB GLU A 64 10.322 -8.003 4.855 1.00 0.72 C ATOM 1025 CG GLU A 64 11.410 -8.666 4.009 1.00 0.96 C ATOM 1026 CD GLU A 64 11.791 -9.955 4.724 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.945 -9.968 5.974 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.058 -11.013 4.096 1.00 1.71 O ATOM 0 H GLU A 64 11.932 -6.256 5.326 1.00 0.57 H new ATOM 0 HA GLU A 64 9.784 -6.359 3.566 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.585 -8.132 5.905 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.390 -8.544 4.691 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.046 -8.874 3.003 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.274 -8.010 3.906 1.00 0.96 H new ATOM 1035 N SER A 65 8.356 -4.883 5.127 1.00 0.51 N ATOM 1036 CA SER A 65 7.316 -4.151 5.782 1.00 0.51 C ATOM 1037 C SER A 65 5.972 -4.510 5.249 1.00 0.43 C ATOM 1038 O SER A 65 5.914 -5.089 4.166 1.00 0.50 O ATOM 1039 CB SER A 65 7.496 -2.629 5.669 1.00 0.65 C ATOM 1040 OG SER A 65 6.824 -2.009 6.756 1.00 1.04 O ATOM 0 H SER A 65 8.685 -4.380 4.303 1.00 0.51 H new ATOM 0 HA SER A 65 7.385 -4.432 6.833 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.555 -2.372 5.683 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.093 -2.270 4.722 1.00 0.65 H new ATOM 0 HG SER A 65 6.365 -1.203 6.440 1.00 1.04 H new ATOM 1046 N THR A 66 4.935 -4.244 6.064 1.00 0.45 N ATOM 1047 CA THR A 66 3.586 -4.630 5.787 1.00 0.45 C ATOM 1048 C THR A 66 2.839 -3.344 5.708 1.00 0.43 C ATOM 1049 O THR A 66 2.834 -2.588 6.679 1.00 0.58 O ATOM 1050 CB THR A 66 3.069 -5.596 6.814 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.805 -6.790 7.032 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.667 -5.982 6.313 1.00 0.78 C ATOM 0 H THR A 66 5.039 -3.743 6.946 1.00 0.45 H new ATOM 0 HA THR A 66 3.476 -5.184 4.855 1.00 0.45 H new ATOM 0 HB THR A 66 3.124 -5.090 7.778 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.362 -7.326 7.723 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.214 -6.689 7.008 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.045 -5.089 6.247 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.746 -6.442 5.328 1.00 0.78 H new ATOM 1060 N LEU A 67 2.225 -2.986 4.567 1.00 0.38 N ATOM 1061 CA LEU A 67 1.355 -1.856 4.449 1.00 0.38 C ATOM 1062 C LEU A 67 0.001 -2.442 4.655 1.00 0.37 C ATOM 1063 O LEU A 67 -0.324 -3.596 4.381 1.00 0.50 O ATOM 1064 CB LEU A 67 1.528 -1.267 3.039 1.00 0.46 C ATOM 1065 CG LEU A 67 2.898 -0.769 2.546 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.869 -0.038 1.193 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.639 0.228 3.453 1.00 1.31 C ATOM 0 H LEU A 67 2.338 -3.502 3.694 1.00 0.38 H new ATOM 0 HA LEU A 67 1.546 -1.046 5.153 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.193 -2.027 2.333 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.836 -0.429 2.957 1.00 0.46 H new ATOM 0 HG LEU A 67 3.411 -1.730 2.509 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.878 0.276 0.927 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.484 -0.709 0.425 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.224 0.838 1.266 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.589 0.501 2.994 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.030 1.122 3.585 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.824 -0.231 4.424 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.879 -1.606 5.237 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.199 -2.045 5.570 1.00 0.37 C ATOM 1081 C HIS A 68 -3.113 -1.366 4.609 1.00 0.35 C ATOM 1082 O HIS A 68 -3.330 -0.157 4.548 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.521 -1.717 7.037 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.647 -2.290 8.113 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.676 -1.611 8.822 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.718 -3.542 8.641 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.199 -2.515 9.719 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.799 -3.689 9.660 1.00 1.51 N ATOM 0 H HIS A 68 -0.679 -0.635 5.475 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.310 -3.126 5.485 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.508 -0.632 7.143 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.542 -2.044 7.232 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.398 -4.313 8.309 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.597 -2.293 10.415 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.624 -4.514 10.234 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.747 -2.146 3.715 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.675 -1.722 2.714 1.00 0.38 C ATOM 1098 C LEU A 69 -6.091 -1.711 3.182 1.00 0.41 C ATOM 1099 O LEU A 69 -6.654 -2.696 3.655 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.431 -2.634 1.499 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.359 -2.440 0.288 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.095 -1.071 -0.360 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.079 -3.591 -0.692 1.00 1.14 C ATOM 0 H LEU A 69 -3.597 -3.155 3.692 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.507 -0.678 2.448 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.403 -2.488 1.166 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.515 -3.669 1.829 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.408 -2.457 0.585 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.756 -0.941 -1.217 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.284 -0.282 0.367 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.058 -1.019 -0.691 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.720 -3.488 -1.567 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.034 -3.559 -1.002 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.283 -4.543 -0.203 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.697 -0.515 3.079 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.031 -0.251 3.521 1.00 0.56 C ATOM 1117 C VAL A 70 -8.794 0.322 2.377 1.00 0.55 C ATOM 1118 O VAL A 70 -8.280 1.229 1.725 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.190 0.440 4.843 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.613 0.282 5.401 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.255 -0.170 5.902 1.00 0.97 C ATOM 0 H VAL A 70 -6.240 0.301 2.672 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.484 -1.202 3.803 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.958 1.489 4.657 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.687 0.796 6.359 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.328 0.714 4.701 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.834 -0.776 5.539 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.391 0.350 6.850 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.491 -1.226 6.030 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.220 -0.066 5.577 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.102 0.032 2.253 1.00 0.73 N ATOM 1132 CA LEU A 71 -11.060 0.435 1.272 1.00 0.84 C ATOM 1133 C LEU A 71 -11.516 1.800 1.659 1.00 0.85 C ATOM 1134 O LEU A 71 -12.164 1.989 2.688 1.00 1.03 O ATOM 1135 CB LEU A 71 -12.209 -0.571 1.100 1.00 1.26 C ATOM 1136 CG LEU A 71 -13.180 -0.435 -0.084 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.472 -0.616 -1.436 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -14.440 -1.315 -0.172 1.00 2.78 C ATOM 0 H LEU A 71 -10.545 -0.573 2.945 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.605 0.460 0.282 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.764 -1.564 1.042 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.805 -0.542 2.012 1.00 1.26 H new ATOM 0 HG LEU A 71 -13.535 0.573 0.132 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -13.197 -0.512 -2.243 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.696 0.142 -1.545 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.020 -1.607 -1.480 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -14.993 -1.069 -1.078 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -14.149 -2.365 -0.199 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -15.071 -1.135 0.698 1.00 2.78 H new