USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 180:sc= 0.0519 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 1.64 (180deg=1.54) USER MOD Single : A 2 GLN : amide:sc= -1.12! K(o=-1.1!,f=-0.026) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.16) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -64:sc= 0.307 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= 0.143 K(o=0.14,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 1.24 (180deg=1.06) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 0.297 (180deg=0.148) USER MOD Single : A 31 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.102 (180deg=-0.703) USER MOD Single : A 40 GLN : amide:sc= -0.0658 K(o=-0.066,f=-2.1!) USER MOD Single : A 41 GLN : amide:sc= -0.313 K(o=-0.31,f=-6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0155 X(o=-0.016,f=-0.35) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.08 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.329 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= 0 (180deg=-8.51e-05) USER MOD Single : A 65 SER OG : rot 87:sc= 1.52 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.274 K(o=0.27,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.633 -7.970 -4.941 1.00 9.67 N ATOM 2 CA MET A 1 11.420 -8.313 -3.592 1.00 10.38 C ATOM 3 C MET A 1 10.060 -8.267 -3.051 1.00 9.62 C ATOM 4 O MET A 1 9.098 -7.838 -3.692 1.00 9.62 O ATOM 5 CB MET A 1 12.417 -7.557 -2.666 1.00 13.77 C ATOM 6 CG MET A 1 12.268 -5.970 -2.466 1.00 16.29 C ATOM 7 SD MET A 1 10.819 -5.405 -1.557 1.00 17.17 S ATOM 8 CE MET A 1 11.296 -3.584 -1.387 1.00 16.11 C ATOM 0 H1 MET A 1 12.630 -8.135 -5.188 1.00 9.67 H new ATOM 0 H2 MET A 1 11.025 -8.555 -5.548 1.00 9.67 H new ATOM 0 H3 MET A 1 11.402 -6.966 -5.085 1.00 9.67 H new ATOM 0 HA MET A 1 11.613 -9.386 -3.601 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.358 -8.017 -1.679 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.421 -7.745 -3.046 1.00 13.77 H new ATOM 0 HG2 MET A 1 13.157 -5.607 -1.950 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.257 -5.502 -3.450 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.515 -3.052 -0.844 1.00 16.11 H new ATOM 0 HE2 MET A 1 12.236 -3.504 -0.841 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.413 -3.144 -2.378 1.00 16.11 H new ATOM 20 N GLN A 2 9.893 -8.729 -1.777 1.00 9.27 N ATOM 21 CA GLN A 2 8.627 -8.964 -1.153 1.00 9.07 C ATOM 22 C GLN A 2 8.212 -7.945 -0.150 1.00 8.72 C ATOM 23 O GLN A 2 8.977 -7.468 0.666 1.00 8.22 O ATOM 24 CB GLN A 2 8.655 -10.290 -0.417 1.00 14.46 C ATOM 25 CG GLN A 2 8.775 -11.551 -1.278 1.00 17.01 C ATOM 26 CD GLN A 2 8.806 -12.824 -0.400 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.257 -13.851 -0.807 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.388 -12.692 0.814 1.00 19.49 N ATOM 0 H GLN A 2 10.682 -8.944 -1.167 1.00 9.27 H new ATOM 0 HA GLN A 2 7.915 -8.935 -1.977 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.491 -10.274 0.282 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.745 -10.369 0.177 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.935 -11.604 -1.971 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.682 -11.499 -1.880 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.823 -11.808 1.078 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.392 -13.477 1.466 1.00 19.49 H new ATOM 37 N ILE A 3 6.950 -7.501 -0.145 1.00 5.87 N ATOM 38 CA ILE A 3 6.359 -6.788 0.967 1.00 5.07 C ATOM 39 C ILE A 3 5.078 -7.510 1.293 1.00 4.01 C ATOM 40 O ILE A 3 4.481 -8.301 0.564 1.00 4.61 O ATOM 41 CB ILE A 3 6.120 -5.322 0.862 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.099 -4.910 -0.237 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.507 -4.635 0.746 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.732 -3.411 -0.302 1.00 10.83 C ATOM 0 H ILE A 3 6.311 -7.634 -0.929 1.00 5.87 H new ATOM 0 HA ILE A 3 7.117 -6.804 1.750 1.00 5.07 H new ATOM 0 HB ILE A 3 5.616 -4.971 1.762 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.501 -5.206 -1.206 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.183 -5.480 -0.084 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.373 -3.556 0.667 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.101 -4.863 1.631 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.022 -5.003 -0.141 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.014 -3.247 -1.106 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.292 -3.103 0.646 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.631 -2.824 -0.493 1.00 10.83 H new ATOM 56 N PHE A 4 4.564 -7.201 2.526 1.00 4.55 N ATOM 57 CA PHE A 4 3.251 -7.745 2.945 1.00 4.68 C ATOM 58 C PHE A 4 2.287 -6.547 3.124 1.00 5.30 C ATOM 59 O PHE A 4 2.647 -5.594 3.774 1.00 5.58 O ATOM 60 CB PHE A 4 3.246 -8.416 4.339 1.00 4.83 C ATOM 61 CG PHE A 4 4.132 -9.572 4.254 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.754 -10.739 3.539 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.438 -9.535 4.792 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.525 -11.815 3.497 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.316 -10.580 4.576 1.00 10.61 C ATOM 66 CZ PHE A 4 5.853 -11.772 3.978 1.00 8.90 C ATOM 0 H PHE A 4 5.024 -6.603 3.213 1.00 4.55 H new ATOM 0 HA PHE A 4 2.981 -8.478 2.185 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.591 -7.720 5.104 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.237 -8.722 4.617 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.810 -10.750 3.014 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.753 -8.683 5.377 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.134 -12.736 3.090 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.353 -10.485 4.864 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.500 -12.632 3.890 1.00 8.90 H new ATOM 76 N VAL A 5 1.080 -6.639 2.540 1.00 4.44 N ATOM 77 CA VAL A 5 -0.010 -5.693 2.669 1.00 3.87 C ATOM 78 C VAL A 5 -1.057 -6.387 3.581 1.00 4.93 C ATOM 79 O VAL A 5 -1.497 -7.483 3.235 1.00 6.84 O ATOM 80 CB VAL A 5 -0.565 -5.142 1.369 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.813 -4.331 1.613 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.655 -4.379 0.749 1.00 9.13 C ATOM 0 H VAL A 5 0.839 -7.424 1.935 1.00 4.44 H new ATOM 0 HA VAL A 5 0.352 -4.768 3.119 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.924 -5.891 0.663 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.189 -3.948 0.664 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.572 -4.961 2.077 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.581 -3.496 2.275 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.362 -3.937 -0.203 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.976 -3.592 1.431 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.477 -5.077 0.588 1.00 9.13 H new ATOM 92 N LYS A 6 -1.378 -5.832 4.768 1.00 6.04 N ATOM 93 CA LYS A 6 -1.970 -6.571 5.831 1.00 6.12 C ATOM 94 C LYS A 6 -3.272 -5.815 6.323 1.00 6.57 C ATOM 95 O LYS A 6 -3.210 -4.605 6.552 1.00 5.76 O ATOM 96 CB LYS A 6 -0.932 -6.735 6.933 1.00 7.45 C ATOM 97 CG LYS A 6 -1.486 -7.556 8.078 1.00 11.12 C ATOM 98 CD LYS A 6 -0.475 -7.441 9.258 1.00 14.54 C ATOM 99 CE LYS A 6 -0.761 -8.450 10.447 1.00 18.84 C ATOM 100 NZ LYS A 6 0.275 -8.401 11.509 1.00 20.55 N ATOM 0 H LYS A 6 -1.220 -4.848 4.988 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.278 -7.566 5.509 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.042 -7.219 6.531 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.625 -5.755 7.298 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.468 -7.188 8.375 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.612 -8.597 7.780 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.532 -7.616 8.880 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.497 -6.422 9.645 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.733 -8.222 10.884 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.820 -9.464 10.050 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.036 -9.081 12.259 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.201 -8.645 11.103 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.315 -7.443 11.911 1.00 20.55 H new ATOM 114 N THR A 7 -4.403 -6.507 6.491 1.00 7.41 N ATOM 115 CA THR A 7 -5.596 -5.824 6.929 1.00 7.48 C ATOM 116 C THR A 7 -5.736 -6.158 8.443 1.00 8.75 C ATOM 117 O THR A 7 -5.147 -7.017 9.072 1.00 8.58 O ATOM 118 CB THR A 7 -6.871 -6.196 6.154 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.457 -7.444 6.480 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.514 -6.252 4.672 1.00 9.17 C ATOM 0 H THR A 7 -4.505 -7.509 6.333 1.00 7.41 H new ATOM 0 HA THR A 7 -5.490 -4.756 6.739 1.00 7.48 H new ATOM 0 HB THR A 7 -7.603 -5.434 6.422 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.259 -7.581 5.934 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.400 -6.514 4.094 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.145 -5.278 4.349 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.741 -7.004 4.512 1.00 9.17 H new ATOM 128 N LEU A 8 -6.533 -5.353 9.165 1.00 9.84 N ATOM 129 CA LEU A 8 -6.984 -5.685 10.492 1.00 14.15 C ATOM 130 C LEU A 8 -7.834 -6.998 10.606 1.00 17.37 C ATOM 131 O LEU A 8 -7.951 -7.568 11.690 1.00 17.01 O ATOM 132 CB LEU A 8 -7.870 -4.543 10.994 1.00 16.63 C ATOM 133 CG LEU A 8 -7.123 -3.198 11.175 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.131 -2.086 11.569 1.00 19.31 C ATOM 135 CD2 LEU A 8 -5.797 -3.241 11.963 1.00 18.59 C ATOM 0 H LEU A 8 -6.874 -4.453 8.827 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.077 -5.842 11.076 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.691 -4.399 10.292 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.312 -4.832 11.947 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.713 -2.928 10.202 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.601 -1.142 11.695 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.880 -1.979 10.784 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.621 -2.354 12.505 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.374 -2.238 12.019 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -5.984 -3.613 12.970 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.094 -3.903 11.457 1.00 18.59 H new ATOM 147 N THR A 9 -8.392 -7.431 9.509 1.00 18.33 N ATOM 148 CA THR A 9 -9.363 -8.545 9.482 1.00 19.24 C ATOM 149 C THR A 9 -8.730 -9.836 9.028 1.00 19.48 C ATOM 150 O THR A 9 -9.361 -10.824 8.674 1.00 23.14 O ATOM 151 CB THR A 9 -10.679 -8.250 8.738 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.491 -8.121 7.329 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.325 -6.942 9.158 1.00 19.70 C ATOM 0 H THR A 9 -8.199 -7.033 8.590 1.00 18.33 H new ATOM 0 HA THR A 9 -9.665 -8.666 10.522 1.00 19.24 H new ATOM 0 HB THR A 9 -11.308 -9.103 8.993 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.352 -7.936 6.900 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.247 -6.795 8.596 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.550 -6.973 10.224 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.642 -6.117 8.956 1.00 19.70 H new ATOM 161 N GLY A 10 -7.391 -9.998 9.225 1.00 19.43 N ATOM 162 CA GLY A 10 -6.669 -11.228 9.133 1.00 18.74 C ATOM 163 C GLY A 10 -6.256 -11.584 7.794 1.00 17.62 C ATOM 164 O GLY A 10 -5.774 -12.725 7.604 1.00 19.74 O ATOM 0 H GLY A 10 -6.786 -9.212 9.463 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.785 -11.163 9.767 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.290 -12.030 9.533 1.00 18.74 H new ATOM 168 N LYS A 11 -6.361 -10.713 6.777 1.00 13.56 N ATOM 169 CA LYS A 11 -5.844 -11.093 5.446 1.00 11.91 C ATOM 170 C LYS A 11 -4.503 -10.498 5.185 1.00 10.18 C ATOM 171 O LYS A 11 -4.289 -9.296 5.443 1.00 9.10 O ATOM 172 CB LYS A 11 -6.785 -10.786 4.310 1.00 13.43 C ATOM 173 CG LYS A 11 -6.296 -11.377 2.994 1.00 16.69 C ATOM 174 CD LYS A 11 -7.484 -11.626 2.005 1.00 17.92 C ATOM 175 CE LYS A 11 -6.999 -12.142 0.645 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.084 -12.178 -0.359 1.00 21.93 N ATOM 0 H LYS A 11 -6.777 -9.784 6.839 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.750 -12.178 5.482 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.774 -11.182 4.541 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.890 -9.706 4.207 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.574 -10.701 2.536 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.777 -12.316 3.185 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.174 -12.348 2.442 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.039 -10.699 1.864 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.193 -11.504 0.283 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.584 -13.143 0.765 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.699 -12.485 -1.275 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.820 -12.846 -0.051 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.498 -11.229 -0.457 1.00 21.93 H new ATOM 190 N THR A 12 -3.495 -11.305 4.785 1.00 9.63 N ATOM 191 CA THR A 12 -2.239 -10.767 4.367 1.00 9.85 C ATOM 192 C THR A 12 -2.043 -11.085 2.935 1.00 11.66 C ATOM 193 O THR A 12 -2.306 -12.178 2.468 1.00 12.33 O ATOM 194 CB THR A 12 -1.095 -11.272 5.215 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.342 -11.046 6.616 1.00 10.91 O ATOM 196 CG2 THR A 12 0.202 -10.582 4.797 1.00 9.63 C ATOM 0 H THR A 12 -3.554 -12.323 4.753 1.00 9.63 H new ATOM 0 HA THR A 12 -2.251 -9.685 4.500 1.00 9.85 H new ATOM 0 HB THR A 12 -1.004 -12.347 5.058 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.586 -11.384 7.140 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.024 -10.949 5.411 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.408 -10.798 3.749 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.101 -9.505 4.932 1.00 9.63 H new ATOM 204 N ILE A 13 -1.631 -10.135 2.162 1.00 10.42 N ATOM 205 CA ILE A 13 -1.358 -10.297 0.723 1.00 11.84 C ATOM 206 C ILE A 13 0.108 -9.981 0.532 1.00 10.55 C ATOM 207 O ILE A 13 0.615 -9.039 1.150 1.00 11.92 O ATOM 208 CB ILE A 13 -2.214 -9.705 -0.349 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.233 -8.196 -0.226 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.628 -10.284 -0.088 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.209 -7.591 -1.234 1.00 16.46 C ATOM 0 H ILE A 13 -1.462 -9.187 2.498 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.662 -11.326 0.532 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.850 -9.940 -1.349 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.522 -7.911 0.786 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.232 -7.798 -0.396 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.323 -9.898 -0.834 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.593 -11.372 -0.152 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.964 -9.990 0.906 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.211 -6.506 -1.132 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.902 -7.860 -2.245 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.212 -7.975 -1.045 1.00 16.46 H new ATOM 223 N THR A 14 0.800 -10.760 -0.290 1.00 9.39 N ATOM 224 CA THR A 14 2.204 -10.827 -0.530 1.00 9.63 C ATOM 225 C THR A 14 2.452 -10.302 -1.949 1.00 11.20 C ATOM 226 O THR A 14 2.016 -10.872 -2.944 1.00 11.63 O ATOM 227 CB THR A 14 2.688 -12.234 -0.366 1.00 10.38 C ATOM 228 OG1 THR A 14 2.436 -12.749 0.949 1.00 16.30 O ATOM 229 CG2 THR A 14 4.230 -12.346 -0.502 1.00 11.66 C ATOM 0 H THR A 14 0.309 -11.440 -0.870 1.00 9.39 H new ATOM 0 HA THR A 14 2.756 -10.218 0.186 1.00 9.63 H new ATOM 0 HB THR A 14 2.155 -12.783 -1.142 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.945 -12.231 1.606 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.532 -13.386 -0.375 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.534 -11.997 -1.489 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.708 -11.734 0.263 1.00 11.66 H new ATOM 237 N LEU A 15 3.214 -9.216 -2.073 1.00 8.29 N ATOM 238 CA LEU A 15 3.293 -8.361 -3.233 1.00 9.03 C ATOM 239 C LEU A 15 4.790 -8.327 -3.662 1.00 8.59 C ATOM 240 O LEU A 15 5.666 -8.517 -2.808 1.00 7.79 O ATOM 241 CB LEU A 15 2.758 -6.976 -3.009 1.00 11.08 C ATOM 242 CG LEU A 15 1.353 -6.802 -2.550 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.085 -5.300 -2.451 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.297 -7.422 -3.446 1.00 15.27 C ATOM 0 H LEU A 15 3.823 -8.901 -1.318 1.00 8.29 H new ATOM 0 HA LEU A 15 2.656 -8.769 -4.018 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.404 -6.490 -2.278 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.867 -6.428 -3.945 1.00 11.08 H new ATOM 0 HG LEU A 15 1.270 -7.324 -1.597 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.061 -5.134 -2.116 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.777 -4.853 -1.737 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.226 -4.840 -3.429 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.691 -7.240 -3.024 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.355 -6.976 -4.439 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.467 -8.496 -3.520 1.00 15.27 H new ATOM 256 N GLU A 16 5.067 -8.003 -4.945 1.00 11.04 N ATOM 257 CA GLU A 16 6.333 -7.933 -5.582 1.00 11.50 C ATOM 258 C GLU A 16 6.574 -6.428 -5.835 1.00 10.13 C ATOM 259 O GLU A 16 5.858 -5.793 -6.643 1.00 9.83 O ATOM 260 CB GLU A 16 6.423 -8.631 -6.917 1.00 17.22 C ATOM 261 CG GLU A 16 7.760 -8.540 -7.690 1.00 23.33 C ATOM 262 CD GLU A 16 9.023 -9.143 -7.045 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.010 -10.232 -6.402 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.078 -8.445 -7.080 1.00 28.86 O ATOM 0 H GLU A 16 4.315 -7.768 -5.593 1.00 11.04 H new ATOM 0 HA GLU A 16 7.059 -8.429 -4.938 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.199 -9.686 -6.759 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.638 -8.230 -7.558 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.618 -9.023 -8.657 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.959 -7.486 -7.887 1.00 23.33 H new ATOM 271 N VAL A 17 7.642 -5.876 -5.202 1.00 8.99 N ATOM 272 CA VAL A 17 8.041 -4.498 -5.353 1.00 8.85 C ATOM 273 C VAL A 17 9.518 -4.408 -5.504 1.00 8.04 C ATOM 274 O VAL A 17 10.163 -5.430 -5.308 1.00 8.99 O ATOM 275 CB VAL A 17 7.648 -3.698 -4.122 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.290 -3.024 -4.434 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.531 -4.613 -2.962 1.00 10.54 C ATOM 0 H VAL A 17 8.243 -6.404 -4.569 1.00 8.99 H new ATOM 0 HA VAL A 17 7.544 -4.098 -6.236 1.00 8.85 H new ATOM 0 HB VAL A 17 8.393 -2.941 -3.878 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.969 -2.437 -3.574 1.00 12.05 H new ATOM 0 HG12 VAL A 17 6.399 -2.370 -5.299 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.545 -3.790 -4.649 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.249 -4.044 -2.076 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.769 -5.365 -3.167 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.488 -5.104 -2.788 1.00 10.54 H new ATOM 287 N GLU A 18 9.997 -3.256 -5.933 1.00 7.29 N ATOM 288 CA GLU A 18 11.370 -2.888 -5.828 1.00 7.08 C ATOM 289 C GLU A 18 11.402 -1.504 -5.137 1.00 6.45 C ATOM 290 O GLU A 18 10.342 -0.839 -5.106 1.00 5.28 O ATOM 291 CB GLU A 18 12.117 -2.701 -7.193 1.00 10.28 C ATOM 292 CG GLU A 18 11.353 -1.758 -8.136 1.00 12.65 C ATOM 293 CD GLU A 18 12.049 -1.425 -9.418 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.323 -1.313 -9.388 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.408 -1.093 -10.424 1.00 18.17 O ATOM 0 H GLU A 18 9.416 -2.542 -6.373 1.00 7.29 H new ATOM 0 HA GLU A 18 11.869 -3.697 -5.295 1.00 7.08 H new ATOM 0 HB2 GLU A 18 13.115 -2.302 -7.010 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.245 -3.671 -7.674 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.390 -2.211 -8.373 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.146 -0.830 -7.604 1.00 12.65 H new ATOM 302 N PRO A 19 12.475 -1.013 -4.607 1.00 7.24 N ATOM 303 CA PRO A 19 12.433 0.243 -3.791 1.00 7.07 C ATOM 304 C PRO A 19 11.966 1.394 -4.594 1.00 6.65 C ATOM 305 O PRO A 19 11.504 2.384 -3.962 1.00 6.37 O ATOM 306 CB PRO A 19 13.910 0.482 -3.354 1.00 7.61 C ATOM 307 CG PRO A 19 14.356 -0.977 -3.247 1.00 8.16 C ATOM 308 CD PRO A 19 13.665 -1.734 -4.348 1.00 7.49 C ATOM 0 HA PRO A 19 11.746 0.146 -2.950 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.483 1.046 -4.090 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.990 1.019 -2.409 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.439 -1.057 -3.346 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.093 -1.389 -2.273 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.291 -1.792 -5.238 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.446 -2.758 -4.044 1.00 7.49 H new ATOM 316 N SER A 20 12.128 1.459 -5.924 1.00 6.80 N ATOM 317 CA SER A 20 11.632 2.549 -6.834 1.00 6.28 C ATOM 318 C SER A 20 10.187 2.441 -7.371 1.00 8.45 C ATOM 319 O SER A 20 9.764 3.232 -8.258 1.00 7.26 O ATOM 320 CB SER A 20 12.484 2.708 -8.155 1.00 8.57 C ATOM 321 OG SER A 20 13.911 2.859 -7.933 1.00 11.13 O ATOM 0 H SER A 20 12.627 0.731 -6.435 1.00 6.80 H new ATOM 0 HA SER A 20 11.711 3.384 -6.138 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.317 1.836 -8.788 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.120 3.576 -8.705 1.00 8.57 H new ATOM 0 HG SER A 20 14.368 2.950 -8.795 1.00 11.13 H new ATOM 327 N ASP A 21 9.376 1.443 -6.949 1.00 7.50 N ATOM 328 CA ASP A 21 7.937 1.391 -7.255 1.00 7.70 C ATOM 329 C ASP A 21 7.231 2.498 -6.471 1.00 7.08 C ATOM 330 O ASP A 21 7.551 2.760 -5.286 1.00 8.11 O ATOM 331 CB ASP A 21 7.241 0.116 -6.954 1.00 11.00 C ATOM 332 CG ASP A 21 7.566 -0.921 -8.021 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.429 -0.590 -9.201 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.869 -2.087 -7.654 1.00 14.36 O ATOM 0 H ASP A 21 9.704 0.656 -6.389 1.00 7.50 H new ATOM 0 HA ASP A 21 7.882 1.509 -8.337 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.546 -0.251 -5.974 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.164 0.281 -6.912 1.00 11.00 H new ATOM 339 N THR A 22 6.273 3.197 -7.110 1.00 5.37 N ATOM 340 CA THR A 22 5.429 4.170 -6.331 1.00 6.01 C ATOM 341 C THR A 22 4.451 3.442 -5.475 1.00 8.01 C ATOM 342 O THR A 22 4.069 2.287 -5.646 1.00 8.11 O ATOM 343 CB THR A 22 4.676 5.212 -7.150 1.00 8.92 C ATOM 344 OG1 THR A 22 4.042 4.633 -8.286 1.00 10.22 O ATOM 345 CG2 THR A 22 5.760 6.179 -7.665 1.00 9.65 C ATOM 0 H THR A 22 6.059 3.127 -8.105 1.00 5.37 H new ATOM 0 HA THR A 22 6.156 4.726 -5.739 1.00 6.01 H new ATOM 0 HB THR A 22 3.906 5.686 -6.541 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.568 5.329 -8.786 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.295 6.961 -8.266 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.276 6.631 -6.818 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.477 5.630 -8.276 1.00 9.65 H new ATOM 353 N ILE A 23 3.907 4.213 -4.419 1.00 8.32 N ATOM 354 CA ILE A 23 2.775 3.773 -3.597 1.00 9.92 C ATOM 355 C ILE A 23 1.545 3.550 -4.439 1.00 10.01 C ATOM 356 O ILE A 23 0.808 2.543 -4.298 1.00 8.71 O ATOM 357 CB ILE A 23 2.526 4.758 -2.384 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.443 4.408 -1.154 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.102 4.656 -1.857 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.965 4.242 -1.439 1.00 12.30 C ATOM 0 H ILE A 23 4.268 5.131 -4.158 1.00 8.32 H new ATOM 0 HA ILE A 23 3.026 2.808 -3.158 1.00 9.92 H new ATOM 0 HB ILE A 23 2.739 5.752 -2.778 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.321 5.191 -0.405 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.077 3.482 -0.710 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.972 5.348 -1.025 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.401 4.909 -2.652 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.912 3.638 -1.516 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.485 4.003 -0.511 1.00 12.30 H new ATOM 0 HD12 ILE A 23 5.115 3.436 -2.157 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.362 5.171 -1.848 1.00 12.30 H new ATOM 372 N GLU A 24 1.171 4.426 -5.424 1.00 9.54 N ATOM 373 CA GLU A 24 0.187 4.254 -6.424 1.00 11.81 C ATOM 374 C GLU A 24 0.231 2.889 -7.226 1.00 11.14 C ATOM 375 O GLU A 24 -0.726 2.236 -7.554 1.00 10.62 O ATOM 376 CB GLU A 24 0.307 5.472 -7.375 1.00 19.24 C ATOM 377 CG GLU A 24 -0.909 5.594 -8.352 1.00 27.76 C ATOM 378 CD GLU A 24 -0.977 6.914 -9.054 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.061 7.352 -9.586 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.052 7.582 -9.032 1.00 34.80 O ATOM 0 H GLU A 24 1.621 5.338 -5.503 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.781 4.199 -5.926 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.386 6.384 -6.783 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.227 5.387 -7.954 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.850 4.798 -9.095 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.832 5.440 -7.793 1.00 27.76 H new ATOM 387 N ASN A 25 1.462 2.307 -7.522 1.00 9.43 N ATOM 388 CA ASN A 25 1.614 0.971 -8.125 1.00 10.96 C ATOM 389 C ASN A 25 1.296 -0.124 -7.121 1.00 9.68 C ATOM 390 O ASN A 25 0.779 -1.172 -7.455 1.00 9.33 O ATOM 391 CB ASN A 25 3.057 0.888 -8.589 1.00 16.78 C ATOM 392 CG ASN A 25 3.340 -0.337 -9.466 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.420 -0.884 -10.068 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.628 -0.681 -9.656 1.00 24.70 N ATOM 0 H ASN A 25 2.351 2.772 -7.339 1.00 9.43 H new ATOM 0 HA ASN A 25 0.921 0.829 -8.955 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.305 1.791 -9.147 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.711 0.862 -7.718 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.866 -1.419 -10.319 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.365 -0.204 -9.137 1.00 24.70 H new ATOM 401 N VAL A 26 1.534 0.112 -5.790 1.00 6.52 N ATOM 402 CA VAL A 26 1.162 -0.833 -4.730 1.00 5.53 C ATOM 403 C VAL A 26 -0.405 -1.007 -4.716 1.00 4.42 C ATOM 404 O VAL A 26 -0.951 -2.086 -4.696 1.00 3.40 O ATOM 405 CB VAL A 26 1.794 -0.492 -3.317 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.441 -1.641 -2.396 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.277 -0.442 -3.573 1.00 8.12 C ATOM 0 H VAL A 26 1.985 0.959 -5.445 1.00 6.52 H new ATOM 0 HA VAL A 26 1.604 -1.802 -4.961 1.00 5.53 H new ATOM 0 HB VAL A 26 1.445 0.438 -2.869 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.855 -1.454 -1.405 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.357 -1.731 -2.325 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.856 -2.567 -2.794 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.799 -0.210 -2.645 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.614 -1.408 -3.948 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.493 0.329 -4.313 1.00 8.12 H new ATOM 417 N LYS A 27 -1.085 0.085 -4.781 1.00 2.64 N ATOM 418 CA LYS A 27 -2.517 0.156 -4.828 1.00 4.14 C ATOM 419 C LYS A 27 -3.075 -0.558 -6.051 1.00 5.58 C ATOM 420 O LYS A 27 -4.129 -1.169 -6.052 1.00 4.11 O ATOM 421 CB LYS A 27 -3.043 1.602 -4.816 1.00 3.97 C ATOM 422 CG LYS A 27 -2.758 2.247 -3.453 1.00 7.45 C ATOM 423 CD LYS A 27 -3.360 3.653 -3.294 1.00 9.02 C ATOM 424 CE LYS A 27 -2.915 4.380 -2.004 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.578 5.712 -1.875 1.00 15.47 N ATOM 0 H LYS A 27 -0.641 1.003 -4.804 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.861 -0.344 -3.923 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.566 2.179 -5.608 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.114 1.611 -5.016 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.151 1.602 -2.667 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.679 2.305 -3.307 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.079 4.258 -4.156 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.447 3.575 -3.300 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.156 3.766 -1.136 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.833 4.509 -2.012 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.482 6.055 -0.898 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.128 6.388 -2.525 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.587 5.622 -2.113 1.00 15.47 H new ATOM 439 N ALA A 28 -2.324 -0.446 -7.186 1.00 6.61 N ATOM 440 CA ALA A 28 -2.591 -1.182 -8.464 1.00 7.74 C ATOM 441 C ALA A 28 -2.527 -2.709 -8.271 1.00 9.17 C ATOM 442 O ALA A 28 -3.308 -3.419 -8.826 1.00 11.45 O ATOM 443 CB ALA A 28 -1.622 -0.750 -9.517 1.00 7.68 C ATOM 0 H ALA A 28 -1.508 0.163 -7.242 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.604 -0.936 -8.783 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.824 -1.291 -10.442 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.728 0.321 -9.692 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.606 -0.965 -9.186 1.00 7.68 H new ATOM 449 N LYS A 29 -1.592 -3.185 -7.446 1.00 8.96 N ATOM 450 CA LYS A 29 -1.453 -4.611 -7.163 1.00 7.90 C ATOM 451 C LYS A 29 -2.531 -5.229 -6.228 1.00 6.92 C ATOM 452 O LYS A 29 -3.082 -6.288 -6.367 1.00 6.87 O ATOM 453 CB LYS A 29 -0.078 -4.860 -6.466 1.00 10.28 C ATOM 454 CG LYS A 29 1.115 -4.717 -7.380 1.00 14.94 C ATOM 455 CD LYS A 29 2.379 -4.376 -6.636 1.00 19.69 C ATOM 456 CE LYS A 29 3.491 -3.815 -7.499 1.00 22.63 C ATOM 457 NZ LYS A 29 3.894 -4.882 -8.561 1.00 24.98 N ATOM 0 H LYS A 29 -0.916 -2.596 -6.960 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.558 -5.089 -8.137 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.028 -4.161 -5.637 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.076 -5.863 -6.039 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.261 -5.647 -7.929 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.912 -3.941 -8.118 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.142 -3.651 -5.857 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.743 -5.273 -6.136 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.161 -2.900 -7.991 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.351 -3.553 -6.882 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.462 -4.432 -9.307 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.452 -5.632 -8.105 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.037 -5.295 -8.981 1.00 24.98 H new ATOM 471 N ILE A 30 -2.941 -4.440 -5.206 1.00 4.57 N ATOM 472 CA ILE A 30 -4.050 -4.683 -4.332 1.00 5.58 C ATOM 473 C ILE A 30 -5.361 -4.682 -4.987 1.00 7.26 C ATOM 474 O ILE A 30 -6.170 -5.595 -4.716 1.00 9.46 O ATOM 475 CB ILE A 30 -4.078 -3.594 -3.264 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.696 -3.574 -2.512 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.279 -3.765 -2.289 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.626 -2.478 -1.465 1.00 2.00 C ATOM 0 H ILE A 30 -2.458 -3.571 -4.979 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.893 -5.683 -3.928 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.227 -2.628 -3.746 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.530 -4.540 -2.035 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.893 -3.434 -3.236 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.260 -2.968 -1.545 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.213 -3.716 -2.850 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.207 -4.731 -1.788 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.653 -2.505 -0.974 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.764 -1.508 -1.944 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.411 -2.632 -0.724 1.00 2.00 H new ATOM 490 N GLN A 31 -5.498 -3.822 -6.061 1.00 7.06 N ATOM 491 CA GLN A 31 -6.607 -3.924 -6.974 1.00 8.67 C ATOM 492 C GLN A 31 -6.603 -5.165 -7.815 1.00 10.90 C ATOM 493 O GLN A 31 -7.632 -5.825 -7.978 1.00 9.63 O ATOM 494 CB GLN A 31 -6.617 -2.724 -7.955 1.00 9.12 C ATOM 495 CG GLN A 31 -7.786 -2.756 -8.990 1.00 10.76 C ATOM 496 CD GLN A 31 -7.902 -1.424 -9.696 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.821 -0.619 -9.582 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.867 -1.055 -10.526 1.00 14.76 N ATOM 0 H GLN A 31 -4.841 -3.073 -6.278 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.487 -3.944 -6.331 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.680 -1.800 -7.381 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.670 -2.701 -8.494 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.613 -3.547 -9.719 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.723 -2.989 -8.483 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.074 -1.682 -10.662 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.894 -0.155 -11.005 1.00 14.76 H new ATOM 507 N ASP A 32 -5.439 -5.540 -8.442 1.00 10.93 N ATOM 508 CA ASP A 32 -5.213 -6.733 -9.301 1.00 14.01 C ATOM 509 C ASP A 32 -5.573 -8.047 -8.505 1.00 14.04 C ATOM 510 O ASP A 32 -6.258 -8.881 -9.046 1.00 13.39 O ATOM 511 CB ASP A 32 -3.787 -6.762 -9.806 1.00 18.01 C ATOM 512 CG ASP A 32 -3.521 -7.664 -11.014 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.999 -7.370 -12.146 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.793 -8.668 -10.859 1.00 25.17 O ATOM 0 H ASP A 32 -4.592 -4.979 -8.350 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.867 -6.675 -10.171 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.494 -5.745 -10.066 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.140 -7.082 -8.989 1.00 18.01 H new ATOM 519 N LYS A 33 -5.188 -8.152 -7.207 1.00 14.22 N ATOM 520 CA LYS A 33 -5.560 -9.193 -6.334 1.00 14.00 C ATOM 521 C LYS A 33 -6.979 -9.117 -5.931 1.00 12.37 C ATOM 522 O LYS A 33 -7.814 -10.040 -6.151 1.00 12.17 O ATOM 523 CB LYS A 33 -4.549 -9.178 -5.169 1.00 18.62 C ATOM 524 CG LYS A 33 -3.285 -10.032 -5.512 1.00 24.00 C ATOM 525 CD LYS A 33 -2.445 -10.397 -4.254 1.00 27.61 C ATOM 526 CE LYS A 33 -1.274 -11.326 -4.743 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.793 -12.593 -5.347 1.00 30.06 N ATOM 0 H LYS A 33 -4.584 -7.461 -6.762 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.510 -10.163 -6.829 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.251 -8.152 -4.954 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.022 -9.568 -4.268 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.596 -10.948 -6.014 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.659 -9.481 -6.214 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.052 -9.499 -3.777 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.060 -10.908 -3.513 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.668 -10.794 -5.477 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.622 -11.563 -3.903 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.057 -13.326 -5.301 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.632 -12.910 -4.820 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.051 -12.424 -6.340 1.00 30.06 H new ATOM 541 N GLU A 34 -7.396 -7.987 -5.334 1.00 10.11 N ATOM 542 CA GLU A 34 -8.528 -7.912 -4.450 1.00 10.07 C ATOM 543 C GLU A 34 -9.677 -7.068 -4.982 1.00 9.32 C ATOM 544 O GLU A 34 -10.689 -6.971 -4.322 1.00 11.61 O ATOM 545 CB GLU A 34 -8.218 -7.338 -3.032 1.00 14.77 C ATOM 546 CG GLU A 34 -7.033 -8.125 -2.356 1.00 18.75 C ATOM 547 CD GLU A 34 -7.565 -9.464 -1.997 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.329 -9.565 -1.068 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.227 -10.398 -2.759 1.00 25.19 O ATOM 0 H GLU A 34 -6.931 -7.089 -5.469 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.807 -8.964 -4.383 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.961 -6.282 -3.111 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.108 -7.403 -2.406 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.188 -8.214 -3.038 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.674 -7.600 -1.471 1.00 18.75 H new ATOM 556 N GLY A 35 -9.562 -6.454 -6.212 1.00 7.22 N ATOM 557 CA GLY A 35 -10.724 -5.844 -6.838 1.00 6.29 C ATOM 558 C GLY A 35 -10.967 -4.440 -6.360 1.00 6.93 C ATOM 559 O GLY A 35 -12.026 -3.880 -6.589 1.00 7.41 O ATOM 0 H GLY A 35 -8.697 -6.385 -6.748 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.588 -5.837 -7.919 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.605 -6.452 -6.631 1.00 6.29 H new ATOM 563 N ILE A 36 -10.042 -3.859 -5.566 1.00 5.86 N ATOM 564 CA ILE A 36 -10.217 -2.569 -4.877 1.00 6.07 C ATOM 565 C ILE A 36 -9.718 -1.430 -5.725 1.00 6.36 C ATOM 566 O ILE A 36 -8.532 -1.457 -6.099 1.00 6.18 O ATOM 567 CB ILE A 36 -9.540 -2.520 -3.483 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.003 -3.747 -2.607 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.942 -1.156 -2.767 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.137 -3.884 -1.391 1.00 9.49 C ATOM 0 H ILE A 36 -9.134 -4.286 -5.384 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.290 -2.463 -4.717 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.458 -2.572 -3.600 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.042 -3.615 -2.307 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.956 -4.661 -3.198 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.472 -1.109 -1.785 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.604 -0.314 -3.372 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.025 -1.110 -2.654 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.472 -4.736 -0.800 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.102 -4.039 -1.697 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.206 -2.976 -0.791 1.00 9.49 H new ATOM 582 N PRO A 37 -10.509 -0.386 -6.113 1.00 8.65 N ATOM 583 CA PRO A 37 -9.956 0.855 -6.781 1.00 9.18 C ATOM 584 C PRO A 37 -8.748 1.521 -6.031 1.00 9.85 C ATOM 585 O PRO A 37 -8.668 1.428 -4.829 1.00 8.51 O ATOM 586 CB PRO A 37 -11.143 1.769 -6.802 1.00 11.42 C ATOM 587 CG PRO A 37 -12.357 0.861 -6.895 1.00 9.27 C ATOM 588 CD PRO A 37 -11.963 -0.324 -5.972 1.00 8.33 C ATOM 0 HA PRO A 37 -9.536 0.623 -7.760 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.181 2.383 -5.902 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.098 2.451 -7.651 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.263 1.359 -6.551 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.542 0.534 -7.918 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.260 -0.146 -4.939 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.438 -1.254 -6.285 1.00 8.33 H new ATOM 596 N PRO A 38 -7.801 2.202 -6.628 1.00 8.71 N ATOM 597 CA PRO A 38 -6.817 2.900 -5.902 1.00 9.08 C ATOM 598 C PRO A 38 -7.302 3.969 -4.995 1.00 9.28 C ATOM 599 O PRO A 38 -6.733 4.346 -3.967 1.00 6.50 O ATOM 600 CB PRO A 38 -5.904 3.490 -6.983 1.00 10.31 C ATOM 601 CG PRO A 38 -5.957 2.475 -8.068 1.00 10.81 C ATOM 602 CD PRO A 38 -7.341 1.919 -7.969 1.00 12.00 C ATOM 0 HA PRO A 38 -6.330 2.210 -5.213 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.261 4.462 -7.324 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.888 3.634 -6.616 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.775 2.924 -9.045 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.204 1.700 -7.928 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.997 2.377 -8.709 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.343 0.846 -8.162 1.00 12.00 H new ATOM 610 N ASP A 39 -8.398 4.558 -5.479 1.00 11.20 N ATOM 611 CA ASP A 39 -9.142 5.612 -4.886 1.00 14.96 C ATOM 612 C ASP A 39 -9.791 5.235 -3.533 1.00 13.99 C ATOM 613 O ASP A 39 -9.953 6.115 -2.669 1.00 13.75 O ATOM 614 CB ASP A 39 -10.205 6.108 -5.930 1.00 24.16 C ATOM 615 CG ASP A 39 -9.658 6.237 -7.346 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.529 5.191 -8.034 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.389 7.397 -7.695 1.00 35.55 O ATOM 0 H ASP A 39 -8.800 4.268 -6.370 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.453 6.419 -4.636 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.046 5.415 -5.937 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.592 7.075 -5.610 1.00 24.16 H new ATOM 622 N GLN A 40 -10.125 3.926 -3.368 1.00 11.60 N ATOM 623 CA GLN A 40 -10.687 3.380 -2.123 1.00 10.76 C ATOM 624 C GLN A 40 -9.642 2.763 -1.166 1.00 8.01 C ATOM 625 O GLN A 40 -10.033 2.062 -0.265 1.00 8.96 O ATOM 626 CB GLN A 40 -11.670 2.312 -2.534 1.00 11.14 C ATOM 627 CG GLN A 40 -12.945 2.869 -3.267 1.00 14.85 C ATOM 628 CD GLN A 40 -14.010 1.845 -3.343 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.999 0.881 -2.570 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.909 2.025 -4.320 1.00 18.16 N ATOM 0 H GLN A 40 -10.008 3.227 -4.102 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.140 4.200 -1.566 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.167 1.602 -3.190 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.984 1.760 -1.648 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.318 3.746 -2.738 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.677 3.193 -4.272 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.853 2.848 -4.919 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.650 1.339 -4.464 1.00 18.16 H new ATOM 639 N GLN A 41 -8.311 3.053 -1.389 1.00 6.52 N ATOM 640 CA GLN A 41 -7.228 2.533 -0.598 1.00 3.87 C ATOM 641 C GLN A 41 -6.479 3.608 0.143 1.00 4.79 C ATOM 642 O GLN A 41 -6.179 4.687 -0.427 1.00 6.34 O ATOM 643 CB GLN A 41 -6.257 1.639 -1.447 1.00 4.20 C ATOM 644 CG GLN A 41 -6.930 0.373 -1.937 1.00 3.20 C ATOM 645 CD GLN A 41 -5.818 -0.334 -2.738 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.724 -0.446 -2.225 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.165 -0.687 -4.031 1.00 7.13 N ATOM 0 H GLN A 41 -8.000 3.666 -2.143 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.686 1.895 0.157 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.893 2.210 -2.301 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.387 1.377 -0.845 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.282 -0.242 -1.109 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.796 0.594 -2.560 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.121 -0.548 -4.359 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.465 -1.086 -4.656 1.00 7.13 H new ATOM 656 N ARG A 42 -6.201 3.402 1.453 1.00 5.73 N ATOM 657 CA ARG A 42 -5.167 4.196 2.109 1.00 6.97 C ATOM 658 C ARG A 42 -4.111 3.244 2.642 1.00 7.15 C ATOM 659 O ARG A 42 -4.355 2.100 3.014 1.00 7.33 O ATOM 660 CB ARG A 42 -5.687 4.984 3.339 1.00 13.23 C ATOM 661 CG ARG A 42 -6.564 6.214 3.082 1.00 21.27 C ATOM 662 CD ARG A 42 -6.452 7.213 4.211 1.00 26.14 C ATOM 663 NE ARG A 42 -6.940 8.489 3.677 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.083 9.098 3.952 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.028 8.524 4.734 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.351 10.304 3.411 1.00 36.39 N ATOM 0 H ARG A 42 -6.666 2.716 2.047 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.795 4.903 1.368 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.254 4.294 3.964 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.823 5.305 3.921 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.267 6.686 2.145 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.603 5.905 2.968 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.045 6.898 5.070 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.420 7.302 4.551 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.326 8.964 3.015 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.869 7.597 5.129 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.899 9.018 4.928 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.673 10.746 2.790 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.231 10.774 3.623 1.00 36.39 H new ATOM 680 N LEU A 43 -2.800 3.630 2.697 1.00 4.65 N ATOM 681 CA LEU A 43 -1.752 2.746 3.065 1.00 3.51 C ATOM 682 C LEU A 43 -1.007 3.370 4.184 1.00 5.56 C ATOM 683 O LEU A 43 -0.402 4.401 4.054 1.00 4.19 O ATOM 684 CB LEU A 43 -0.707 2.374 1.984 1.00 3.74 C ATOM 685 CG LEU A 43 -1.297 1.392 0.891 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.222 1.105 -0.118 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.810 0.060 1.462 1.00 6.41 C ATOM 0 H LEU A 43 -2.484 4.575 2.479 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.262 1.812 3.300 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.351 3.282 1.499 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.155 1.908 2.461 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.158 1.891 0.446 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.610 0.429 -0.880 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.095 2.037 -0.586 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.629 0.641 0.380 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.198 -0.558 0.652 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.992 -0.463 1.957 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.604 0.255 2.182 1.00 6.41 H new ATOM 699 N ILE A 44 -0.955 2.732 5.325 1.00 4.58 N ATOM 700 CA ILE A 44 -0.316 3.269 6.582 1.00 5.55 C ATOM 701 C ILE A 44 0.990 2.545 6.938 1.00 5.46 C ATOM 702 O ILE A 44 1.074 1.334 6.999 1.00 6.04 O ATOM 703 CB ILE A 44 -1.224 3.205 7.790 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.466 4.080 7.464 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.511 3.743 9.098 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.545 4.117 8.539 1.00 13.90 C ATOM 0 H ILE A 44 -1.354 1.801 5.448 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.108 4.312 6.345 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.499 2.169 7.990 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.130 5.100 7.276 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.912 3.716 6.539 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.200 3.679 9.940 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.373 3.140 9.305 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.215 4.782 8.950 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.365 4.755 8.210 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.919 3.108 8.714 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.125 4.514 9.463 1.00 13.90 H new ATOM 718 N PHE A 45 2.132 3.295 7.195 1.00 6.75 N ATOM 719 CA PHE A 45 3.459 2.758 7.457 1.00 4.70 C ATOM 720 C PHE A 45 4.149 3.771 8.344 1.00 6.34 C ATOM 721 O PHE A 45 4.138 4.957 8.035 1.00 5.45 O ATOM 722 CB PHE A 45 4.232 2.444 6.159 1.00 5.51 C ATOM 723 CG PHE A 45 5.563 1.830 6.362 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.736 0.505 6.718 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.665 2.626 6.111 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.058 -0.056 6.974 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.926 2.109 6.371 1.00 6.64 C ATOM 728 CZ PHE A 45 8.143 0.797 6.789 1.00 6.84 C ATOM 0 H PHE A 45 2.113 4.315 7.217 1.00 6.75 H new ATOM 0 HA PHE A 45 3.407 1.792 7.960 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.628 1.774 5.546 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.356 3.368 5.594 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.869 -0.132 6.809 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.547 3.627 5.722 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.189 -1.080 7.291 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.782 2.755 6.243 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.148 0.444 6.968 1.00 6.84 H new ATOM 738 N ALA A 46 4.725 3.306 9.473 1.00 6.53 N ATOM 739 CA ALA A 46 5.216 4.088 10.578 1.00 7.15 C ATOM 740 C ALA A 46 4.307 5.205 11.076 1.00 9.00 C ATOM 741 O ALA A 46 4.711 6.326 11.280 1.00 11.15 O ATOM 742 CB ALA A 46 6.625 4.536 10.304 1.00 8.99 C ATOM 0 H ALA A 46 4.858 2.306 9.626 1.00 6.53 H new ATOM 0 HA ALA A 46 5.217 3.416 11.436 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.989 5.127 11.145 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.265 3.664 10.170 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.644 5.143 9.399 1.00 8.99 H new ATOM 748 N GLY A 47 3.019 4.856 11.322 1.00 9.35 N ATOM 749 CA GLY A 47 2.068 5.722 11.965 1.00 11.68 C ATOM 750 C GLY A 47 1.531 6.800 11.112 1.00 11.14 C ATOM 751 O GLY A 47 0.796 7.670 11.527 1.00 13.93 O ATOM 0 H GLY A 47 2.632 3.948 11.066 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.236 5.118 12.328 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.541 6.171 12.838 1.00 11.68 H new ATOM 755 N LYS A 48 1.890 6.805 9.827 1.00 10.47 N ATOM 756 CA LYS A 48 1.570 7.859 8.834 1.00 8.82 C ATOM 757 C LYS A 48 1.025 7.208 7.620 1.00 7.68 C ATOM 758 O LYS A 48 1.409 6.142 7.143 1.00 6.47 O ATOM 759 CB LYS A 48 2.861 8.669 8.520 1.00 9.74 C ATOM 760 CG LYS A 48 3.615 9.298 9.754 1.00 14.14 C ATOM 761 CD LYS A 48 4.846 10.071 9.295 1.00 16.32 C ATOM 762 CE LYS A 48 5.739 10.412 10.487 1.00 20.04 C ATOM 763 NZ LYS A 48 6.979 11.067 10.004 1.00 23.92 N ATOM 0 H LYS A 48 2.436 6.045 9.421 1.00 10.47 H new ATOM 0 HA LYS A 48 0.824 8.553 9.221 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.555 8.014 7.994 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.600 9.474 7.833 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.943 9.963 10.297 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.911 8.510 10.446 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.406 9.478 8.571 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.540 10.986 8.789 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.210 11.072 11.174 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.985 9.506 11.041 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.587 11.299 10.815 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.486 10.422 9.365 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.735 11.939 9.493 1.00 23.92 H new ATOM 777 N GLN A 49 0.091 7.884 6.939 1.00 8.89 N ATOM 778 CA GLN A 49 -0.449 7.572 5.603 1.00 7.18 C ATOM 779 C GLN A 49 0.480 8.013 4.521 1.00 8.23 C ATOM 780 O GLN A 49 0.796 9.214 4.358 1.00 9.70 O ATOM 781 CB GLN A 49 -1.850 8.076 5.315 1.00 11.67 C ATOM 782 CG GLN A 49 -2.174 9.508 5.807 1.00 15.82 C ATOM 783 CD GLN A 49 -3.632 9.679 5.446 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.548 9.106 6.096 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.943 10.391 4.313 1.00 20.67 N ATOM 0 H GLN A 49 -0.339 8.722 7.331 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.533 6.485 5.614 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.013 8.038 4.238 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.562 7.388 5.770 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.011 9.611 6.880 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.548 10.253 5.316 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.205 10.856 3.784 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.912 10.455 4.001 1.00 20.67 H new ATOM 794 N LEU A 50 0.911 7.028 3.691 1.00 6.51 N ATOM 795 CA LEU A 50 1.677 7.215 2.500 1.00 7.41 C ATOM 796 C LEU A 50 0.982 7.833 1.287 1.00 8.27 C ATOM 797 O LEU A 50 -0.017 7.271 0.783 1.00 8.34 O ATOM 798 CB LEU A 50 2.288 5.821 2.053 1.00 7.13 C ATOM 799 CG LEU A 50 3.005 5.000 3.187 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.442 3.660 2.622 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.100 5.764 4.022 1.00 9.11 C ATOM 0 H LEU A 50 0.707 6.045 3.872 1.00 6.51 H new ATOM 0 HA LEU A 50 2.419 7.957 2.796 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.487 5.210 1.637 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.003 5.999 1.250 1.00 7.13 H new ATOM 0 HG LEU A 50 2.269 4.826 3.972 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.941 3.082 3.400 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.569 3.113 2.267 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.131 3.822 1.793 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.520 5.093 4.771 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.892 6.106 3.356 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.646 6.622 4.518 1.00 9.11 H new ATOM 813 N GLU A 51 1.541 8.979 0.802 1.00 9.43 N ATOM 814 CA GLU A 51 1.074 9.691 -0.361 1.00 11.90 C ATOM 815 C GLU A 51 1.544 8.885 -1.570 1.00 11.49 C ATOM 816 O GLU A 51 2.651 8.401 -1.596 1.00 9.88 O ATOM 817 CB GLU A 51 1.545 11.182 -0.452 1.00 16.56 C ATOM 818 CG GLU A 51 1.448 11.906 0.895 1.00 26.06 C ATOM 819 CD GLU A 51 2.050 13.264 0.799 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.277 13.430 0.429 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.292 14.273 1.042 1.00 32.13 O ATOM 0 H GLU A 51 2.349 9.421 1.241 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.012 9.772 -0.311 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.575 11.214 -0.806 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.938 11.708 -1.189 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.404 11.985 1.198 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.961 11.328 1.664 1.00 26.06 H new ATOM 828 N ASP A 52 0.644 8.746 -2.608 1.00 12.71 N ATOM 829 CA ASP A 52 0.649 7.953 -3.774 1.00 16.56 C ATOM 830 C ASP A 52 1.831 7.995 -4.768 1.00 15.83 C ATOM 831 O ASP A 52 2.343 6.982 -5.234 1.00 17.21 O ATOM 832 CB ASP A 52 -0.619 8.349 -4.559 1.00 21.05 C ATOM 833 CG ASP A 52 -1.810 8.195 -3.723 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.077 9.127 -2.937 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.439 7.104 -3.785 1.00 28.37 O ATOM 0 H ASP A 52 -0.212 9.300 -2.583 1.00 12.71 H new ATOM 0 HA ASP A 52 0.721 6.938 -3.384 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.536 9.382 -4.897 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.711 7.728 -5.450 1.00 21.05 H new ATOM 840 N GLY A 53 2.324 9.199 -5.098 1.00 15.00 N ATOM 841 CA GLY A 53 3.372 9.378 -6.100 1.00 11.77 C ATOM 842 C GLY A 53 4.730 9.350 -5.555 1.00 11.10 C ATOM 843 O GLY A 53 5.696 9.461 -6.346 1.00 11.25 O ATOM 0 H GLY A 53 2.004 10.071 -4.675 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.278 8.595 -6.853 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.215 10.329 -6.608 1.00 11.77 H new ATOM 847 N ARG A 54 4.897 9.054 -4.235 1.00 8.53 N ATOM 848 CA ARG A 54 6.141 8.808 -3.656 1.00 9.05 C ATOM 849 C ARG A 54 6.523 7.337 -3.894 1.00 8.96 C ATOM 850 O ARG A 54 5.632 6.500 -4.154 1.00 11.60 O ATOM 851 CB ARG A 54 5.975 9.020 -2.139 1.00 7.97 C ATOM 852 CG ARG A 54 5.291 10.384 -1.761 1.00 9.62 C ATOM 853 CD ARG A 54 5.931 11.629 -2.244 1.00 12.20 C ATOM 854 NE ARG A 54 5.100 12.855 -1.763 1.00 18.23 N ATOM 855 CZ ARG A 54 4.774 13.914 -2.489 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.355 14.106 -3.717 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.799 14.693 -1.995 1.00 23.38 N ATOM 0 H ARG A 54 4.121 8.992 -3.576 1.00 8.53 H new ATOM 0 HA ARG A 54 6.905 9.461 -4.077 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.383 8.201 -1.730 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.956 8.972 -1.665 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.269 10.363 -2.139 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.228 10.438 -0.674 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.952 11.697 -1.867 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.993 11.621 -3.332 1.00 12.20 H new ATOM 0 HE ARG A 54 4.776 12.841 -0.796 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.037 13.434 -4.069 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.105 14.921 -4.278 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.355 14.454 -1.108 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.502 15.524 -2.506 1.00 23.38 H new ATOM 871 N THR A 55 7.767 6.916 -3.783 1.00 9.05 N ATOM 872 CA THR A 55 8.267 5.540 -3.883 1.00 9.03 C ATOM 873 C THR A 55 8.378 4.851 -2.542 1.00 8.15 C ATOM 874 O THR A 55 8.220 5.485 -1.476 1.00 5.91 O ATOM 875 CB THR A 55 9.619 5.445 -4.581 1.00 11.15 C ATOM 876 OG1 THR A 55 10.625 6.154 -3.886 1.00 11.95 O ATOM 877 CG2 THR A 55 9.371 6.183 -5.965 1.00 11.71 C ATOM 0 H THR A 55 8.525 7.575 -3.606 1.00 9.05 H new ATOM 0 HA THR A 55 7.515 5.031 -4.486 1.00 9.03 H new ATOM 0 HB THR A 55 9.952 4.410 -4.659 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.453 7.116 -3.954 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.289 6.173 -6.553 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.582 5.669 -6.515 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.071 7.214 -5.779 1.00 11.71 H new ATOM 885 N LEU A 56 8.799 3.597 -2.585 1.00 6.91 N ATOM 886 CA LEU A 56 9.176 2.776 -1.433 1.00 8.29 C ATOM 887 C LEU A 56 10.466 3.279 -0.788 1.00 8.05 C ATOM 888 O LEU A 56 10.587 3.237 0.436 1.00 10.17 O ATOM 889 CB LEU A 56 9.214 1.220 -1.747 1.00 6.60 C ATOM 890 CG LEU A 56 7.929 0.396 -1.777 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.074 0.594 -3.036 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.314 -1.072 -1.597 1.00 8.64 C ATOM 0 H LEU A 56 8.894 3.094 -3.467 1.00 6.91 H new ATOM 0 HA LEU A 56 8.379 2.893 -0.699 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.693 1.101 -2.719 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.872 0.761 -1.009 1.00 6.60 H new ATOM 0 HG LEU A 56 7.291 0.743 -0.964 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.182 -0.029 -2.972 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.780 1.641 -3.116 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.651 0.311 -3.916 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.415 -1.689 -1.614 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.978 -1.376 -2.406 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.824 -1.200 -0.642 1.00 8.64 H new ATOM 904 N SER A 57 11.448 3.722 -1.583 1.00 8.92 N ATOM 905 CA SER A 57 12.679 4.254 -1.103 1.00 9.00 C ATOM 906 C SER A 57 12.495 5.467 -0.279 1.00 9.44 C ATOM 907 O SER A 57 13.211 5.639 0.699 1.00 10.91 O ATOM 908 CB SER A 57 13.604 4.621 -2.307 1.00 10.32 C ATOM 909 OG SER A 57 14.895 4.838 -1.802 1.00 13.59 O ATOM 0 H SER A 57 11.383 3.709 -2.601 1.00 8.92 H new ATOM 0 HA SER A 57 13.128 3.481 -0.480 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.611 3.817 -3.043 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.236 5.513 -2.814 1.00 10.32 H new ATOM 0 HG SER A 57 15.499 5.069 -2.538 1.00 13.59 H new ATOM 915 N ASP A 58 11.539 6.322 -0.618 1.00 9.11 N ATOM 916 CA ASP A 58 11.288 7.620 -0.006 1.00 7.91 C ATOM 917 C ASP A 58 10.832 7.486 1.422 1.00 9.12 C ATOM 918 O ASP A 58 11.302 8.232 2.265 1.00 8.61 O ATOM 919 CB ASP A 58 10.175 8.397 -0.820 1.00 8.41 C ATOM 920 CG ASP A 58 10.655 8.797 -2.208 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.786 9.204 -2.444 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.867 8.618 -3.211 1.00 11.70 O ATOM 0 H ASP A 58 10.881 6.117 -1.370 1.00 9.11 H new ATOM 0 HA ASP A 58 12.228 8.171 -0.022 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.288 7.770 -0.910 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.879 9.289 -0.268 1.00 8.41 H new ATOM 927 N TYR A 59 9.887 6.553 1.620 1.00 7.97 N ATOM 928 CA TYR A 59 9.372 6.178 2.921 1.00 8.45 C ATOM 929 C TYR A 59 10.144 5.093 3.732 1.00 10.98 C ATOM 930 O TYR A 59 9.707 4.633 4.792 1.00 12.95 O ATOM 931 CB TYR A 59 7.922 5.792 2.858 1.00 7.94 C ATOM 932 CG TYR A 59 7.090 6.897 2.437 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.003 8.058 3.186 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.208 6.783 1.319 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.165 9.090 2.847 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.326 7.833 1.071 1.00 6.52 C ATOM 937 CZ TYR A 59 5.283 8.980 1.793 1.00 6.76 C ATOM 938 OH TYR A 59 4.321 9.903 1.346 1.00 7.63 O ATOM 0 H TYR A 59 9.458 6.034 0.854 1.00 7.97 H new ATOM 0 HA TYR A 59 9.525 7.101 3.480 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.797 4.959 2.166 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.596 5.444 3.838 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.617 8.155 4.069 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.224 5.909 0.685 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.197 10.007 3.417 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.632 7.726 0.251 1.00 6.52 H new ATOM 0 HH TYR A 59 4.626 10.814 1.542 1.00 7.63 H new ATOM 948 N ASN A 60 11.343 4.631 3.268 1.00 12.38 N ATOM 949 CA ASN A 60 12.197 3.676 3.912 1.00 13.94 C ATOM 950 C ASN A 60 11.521 2.342 4.090 1.00 14.16 C ATOM 951 O ASN A 60 11.569 1.630 5.108 1.00 14.26 O ATOM 952 CB ASN A 60 12.684 4.288 5.278 1.00 19.23 C ATOM 953 CG ASN A 60 13.340 5.634 4.999 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.815 6.685 5.349 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.563 5.593 4.436 1.00 24.09 N ATOM 0 H ASN A 60 11.730 4.955 2.382 1.00 12.38 H new ATOM 0 HA ASN A 60 13.062 3.477 3.280 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.842 4.411 5.959 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.391 3.615 5.763 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.085 6.456 4.288 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.967 4.699 4.158 1.00 24.09 H new ATOM 962 N ILE A 61 10.827 1.873 3.019 1.00 11.08 N ATOM 963 CA ILE A 61 10.198 0.585 3.045 1.00 11.78 C ATOM 964 C ILE A 61 11.133 -0.436 2.391 1.00 13.74 C ATOM 965 O ILE A 61 11.733 -0.197 1.362 1.00 14.60 O ATOM 966 CB ILE A 61 8.898 0.601 2.250 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.926 1.639 2.893 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.310 -0.812 2.282 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.833 2.203 1.936 1.00 11.42 C ATOM 0 H ILE A 61 10.706 2.386 2.146 1.00 11.08 H new ATOM 0 HA ILE A 61 9.987 0.325 4.082 1.00 11.78 H new ATOM 0 HB ILE A 61 9.065 0.893 1.213 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.434 1.172 3.746 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.513 2.472 3.280 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.377 -0.830 1.719 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.017 -1.511 1.835 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.117 -1.102 3.315 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.209 2.915 2.476 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.310 2.704 1.094 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.214 1.385 1.568 1.00 11.42 H new ATOM 981 N GLN A 62 11.414 -1.584 3.065 1.00 13.97 N ATOM 982 CA GLN A 62 12.393 -2.501 2.631 1.00 15.52 C ATOM 983 C GLN A 62 11.755 -3.831 2.349 1.00 13.94 C ATOM 984 O GLN A 62 10.598 -3.972 2.625 1.00 12.15 O ATOM 985 CB GLN A 62 13.446 -2.717 3.768 1.00 19.53 C ATOM 986 CG GLN A 62 12.964 -3.187 5.137 1.00 26.38 C ATOM 987 CD GLN A 62 14.103 -3.685 6.107 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.292 -4.901 6.278 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.998 -2.735 6.434 1.00 32.71 N ATOM 0 H GLN A 62 10.940 -1.861 3.925 1.00 13.97 H new ATOM 0 HA GLN A 62 12.866 -2.105 1.733 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.176 -3.442 3.408 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.976 -1.775 3.910 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.429 -2.368 5.618 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.248 -3.996 4.996 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.782 -1.752 6.268 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.892 -2.998 6.848 1.00 32.71 H new ATOM 998 N LYS A 63 12.529 -4.862 1.890 1.00 11.73 N ATOM 999 CA LYS A 63 11.980 -6.184 1.846 1.00 11.97 C ATOM 1000 C LYS A 63 11.428 -6.800 3.138 1.00 10.41 C ATOM 1001 O LYS A 63 11.988 -6.613 4.209 1.00 9.59 O ATOM 1002 CB LYS A 63 13.004 -7.166 1.281 1.00 13.73 C ATOM 1003 CG LYS A 63 14.418 -7.012 1.851 1.00 16.98 C ATOM 1004 CD LYS A 63 15.413 -7.860 0.998 1.00 20.19 C ATOM 1005 CE LYS A 63 16.756 -8.098 1.646 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.475 -6.804 1.636 1.00 25.97 N ATOM 0 H LYS A 63 13.492 -4.775 1.566 1.00 11.73 H new ATOM 0 HA LYS A 63 11.106 -6.031 1.213 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.658 -8.182 1.473 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.047 -7.043 0.199 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.714 -5.963 1.841 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.441 -7.340 2.890 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.954 -8.824 0.781 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.569 -7.359 0.043 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.633 -8.463 2.666 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.318 -8.856 1.101 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.484 -6.969 1.443 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.076 -6.191 0.896 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.371 -6.342 2.562 1.00 25.97 H new ATOM 1020 N GLU A 64 10.303 -7.477 3.037 1.00 10.04 N ATOM 1021 CA GLU A 64 9.536 -8.048 4.084 1.00 10.94 C ATOM 1022 C GLU A 64 8.839 -7.091 5.031 1.00 9.74 C ATOM 1023 O GLU A 64 8.434 -7.466 6.125 1.00 9.42 O ATOM 1024 CB GLU A 64 10.275 -9.209 4.809 1.00 18.31 C ATOM 1025 CG GLU A 64 10.936 -10.319 3.922 1.00 24.16 C ATOM 1026 CD GLU A 64 11.830 -11.270 4.724 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.881 -11.314 5.969 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.663 -12.006 4.033 1.00 31.72 O ATOM 0 H GLU A 64 9.877 -7.648 2.126 1.00 10.04 H new ATOM 0 HA GLU A 64 8.692 -8.484 3.550 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.053 -8.772 5.435 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.563 -9.694 5.478 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.154 -10.895 3.427 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.528 -9.846 3.139 1.00 24.16 H new ATOM 1035 N SER A 65 8.705 -5.814 4.654 1.00 6.85 N ATOM 1036 CA SER A 65 7.985 -4.848 5.399 1.00 6.90 C ATOM 1037 C SER A 65 6.442 -5.153 5.472 1.00 4.72 C ATOM 1038 O SER A 65 5.851 -5.747 4.580 1.00 3.91 O ATOM 1039 CB SER A 65 8.144 -3.395 4.850 1.00 7.28 C ATOM 1040 OG SER A 65 9.492 -3.087 4.801 1.00 10.56 O ATOM 0 H SER A 65 9.115 -5.443 3.797 1.00 6.85 H new ATOM 0 HA SER A 65 8.427 -4.914 6.393 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.701 -3.315 3.857 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.617 -2.688 5.492 1.00 7.28 H new ATOM 0 HG SER A 65 9.867 -3.394 3.949 1.00 10.56 H new ATOM 1046 N THR A 66 5.797 -4.722 6.605 1.00 4.48 N ATOM 1047 CA THR A 66 4.392 -4.903 6.765 1.00 3.80 C ATOM 1048 C THR A 66 3.775 -3.541 6.499 1.00 4.60 C ATOM 1049 O THR A 66 4.212 -2.573 7.113 1.00 5.33 O ATOM 1050 CB THR A 66 4.007 -5.267 8.250 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.486 -6.583 8.542 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.499 -5.317 8.480 1.00 3.40 C ATOM 0 H THR A 66 6.259 -4.258 7.387 1.00 4.48 H new ATOM 0 HA THR A 66 4.054 -5.702 6.105 1.00 3.80 H new ATOM 0 HB THR A 66 4.446 -4.493 8.880 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.253 -6.819 9.464 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.298 -5.572 9.520 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.064 -4.343 8.255 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.057 -6.071 7.829 1.00 3.40 H new ATOM 1060 N LEU A 67 2.833 -3.408 5.613 1.00 4.17 N ATOM 1061 CA LEU A 67 2.227 -2.177 5.272 1.00 3.85 C ATOM 1062 C LEU A 67 0.777 -2.406 5.690 1.00 3.80 C ATOM 1063 O LEU A 67 0.179 -3.460 5.403 1.00 5.54 O ATOM 1064 CB LEU A 67 2.245 -1.929 3.810 1.00 7.18 C ATOM 1065 CG LEU A 67 3.557 -1.376 3.174 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.672 -2.443 3.157 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.186 -0.862 1.803 1.00 11.66 C ATOM 0 H LEU A 67 2.456 -4.198 5.090 1.00 4.17 H new ATOM 0 HA LEU A 67 2.732 -1.331 5.739 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.002 -2.866 3.310 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.442 -1.228 3.581 1.00 7.18 H new ATOM 0 HG LEU A 67 3.978 -0.561 3.764 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.571 -2.022 2.707 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.890 -2.758 4.178 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.343 -3.304 2.574 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.073 -0.462 1.312 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.778 -1.678 1.207 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.438 -0.075 1.900 1.00 11.66 H new ATOM 1079 N HIS A 68 0.171 -1.440 6.359 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.126 -1.513 6.937 1.00 4.17 C ATOM 1081 C HIS A 68 -2.176 -0.954 5.912 1.00 5.32 C ATOM 1082 O HIS A 68 -2.075 0.203 5.453 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.108 -0.796 8.300 1.00 5.57 C ATOM 1084 CG HIS A 68 0.017 -1.238 9.235 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.208 -0.599 9.252 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.159 -2.280 10.076 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.057 -1.372 9.998 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.458 -2.399 10.534 1.00 16.30 N ATOM 0 H HIS A 68 0.614 -0.534 6.513 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.426 -2.540 7.142 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.021 0.277 8.130 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.063 -0.964 8.797 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.431 0.287 8.798 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.645 -2.943 10.359 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.107 -1.155 10.128 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.195 -1.763 5.471 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.241 -1.366 4.542 1.00 3.97 C ATOM 1098 C LEU A 69 -5.464 -0.901 5.273 1.00 5.07 C ATOM 1099 O LEU A 69 -6.104 -1.626 6.051 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.635 -2.593 3.681 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.649 -2.401 2.472 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.214 -1.304 1.548 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.986 -3.691 1.720 1.00 9.96 C ATOM 0 H LEU A 69 -3.289 -2.731 5.777 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.862 -0.551 3.925 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.717 -3.016 3.274 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.061 -3.340 4.351 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.588 -2.094 2.932 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.934 -1.206 0.736 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.158 -0.365 2.099 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.233 -1.542 1.136 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.683 -3.470 0.912 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.074 -4.119 1.305 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.442 -4.404 2.407 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.794 0.355 5.011 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.042 1.062 5.406 1.00 6.26 C ATOM 1117 C VAL A 70 -7.821 1.312 4.122 1.00 9.22 C ATOM 1118 O VAL A 70 -7.267 1.440 3.011 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.558 2.306 6.220 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.737 3.185 6.703 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.765 1.800 7.410 1.00 8.54 C ATOM 0 H VAL A 70 -5.168 0.963 4.483 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.741 0.530 6.052 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.944 2.935 5.575 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.350 4.036 7.263 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.300 3.543 5.841 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.392 2.595 7.345 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.413 2.647 7.999 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.401 1.167 8.029 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.910 1.222 7.058 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.177 1.271 4.264 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.168 1.636 3.265 1.00 16.06 C ATOM 1133 C LEU A 71 -10.680 3.082 3.288 1.00 18.09 C ATOM 1134 O LEU A 71 -10.793 3.727 4.326 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.294 0.556 3.118 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.922 -0.902 2.729 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.150 -1.830 2.637 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.095 -0.900 1.401 1.00 19.57 C ATOM 0 H LEU A 71 -9.609 0.962 5.135 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.601 1.632 2.334 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.828 0.513 4.067 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.999 0.921 2.372 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.306 -1.312 3.529 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.827 -2.834 2.362 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.655 -1.863 3.603 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.837 -1.450 1.881 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.836 -1.924 1.132 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.689 -0.454 0.603 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.183 -0.320 1.541 1.00 19.57 H new