USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 136:sc= 0.813 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.914 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 162:sc= 1.25 (180deg=-0.11) USER MOD Set 2.2: A 12 THR OG1 : rot 144:sc= 1.01 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.0368 (180deg=-0.161) USER MOD Single : A 1 MET N :NH3+ 136:sc= 1.24 (180deg=1.14) USER MOD Single : A 2 GLN : amide:sc= -0.082 K(o=-0.082,f=-1.8!) USER MOD Single : A 11 LYS NZ :NH3+ -119:sc= 1.19 (180deg=-0.286) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0407 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.76 (180deg=1.09) USER MOD Single : A 29 LYS NZ :NH3+ 141:sc= 0.643 (180deg=0.171) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.1) USER MOD Single : A 41 GLN : amide:sc=-0.00799 K(o=-0.008,f=-0.74) USER MOD Single : A 48 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.168) USER MOD Single : A 49 GLN : amide:sc=-0.00863 X(o=-0.0086,f=0) USER MOD Single : A 55 THR OG1 : rot -43:sc= 1.15 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.483 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 62 GLN : amide:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -168:sc= 0.00387 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0467 K(o=-0.047,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.193 -4.509 -3.817 1.00 0.78 N ATOM 2 CA MET A 1 12.918 -5.177 -2.524 1.00 0.70 C ATOM 3 C MET A 1 11.482 -5.502 -2.293 1.00 0.62 C ATOM 4 O MET A 1 10.627 -5.025 -3.038 1.00 0.68 O ATOM 5 CB MET A 1 13.339 -4.098 -1.513 1.00 0.75 C ATOM 6 CG MET A 1 12.608 -2.762 -1.357 1.00 0.79 C ATOM 7 SD MET A 1 13.110 -1.991 0.211 1.00 1.10 S ATOM 8 CE MET A 1 11.900 -0.640 0.109 1.00 0.84 C ATOM 0 H1 MET A 1 13.854 -3.720 -3.667 1.00 0.78 H new ATOM 0 H2 MET A 1 13.614 -5.192 -4.478 1.00 0.78 H new ATOM 0 H3 MET A 1 12.304 -4.145 -4.215 1.00 0.78 H new ATOM 0 HA MET A 1 13.434 -6.135 -2.462 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.325 -4.573 -0.532 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.378 -3.856 -1.735 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.845 -2.104 -2.193 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.529 -2.919 -1.371 1.00 0.79 H new ATOM 0 HE1 MET A 1 12.103 0.090 0.893 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.976 -0.157 -0.865 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.895 -1.041 0.238 1.00 0.84 H new ATOM 20 N GLN A 2 11.131 -6.376 -1.335 1.00 0.59 N ATOM 21 CA GLN A 2 9.750 -6.712 -1.182 1.00 0.56 C ATOM 22 C GLN A 2 9.063 -6.136 0.010 1.00 0.50 C ATOM 23 O GLN A 2 9.586 -6.064 1.120 1.00 0.60 O ATOM 24 CB GLN A 2 9.537 -8.236 -1.186 1.00 0.71 C ATOM 25 CG GLN A 2 9.706 -9.090 -2.444 1.00 1.15 C ATOM 26 CD GLN A 2 11.132 -9.088 -2.978 1.00 1.30 C ATOM 27 OE1 GLN A 2 11.433 -8.528 -4.031 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.054 -9.601 -2.120 1.00 1.72 N ATOM 0 H GLN A 2 11.773 -6.835 -0.689 1.00 0.59 H new ATOM 0 HA GLN A 2 9.287 -6.246 -2.052 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.215 -8.647 -0.438 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.523 -8.409 -0.826 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.408 -10.115 -2.223 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.033 -8.722 -3.219 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.752 -10.056 -1.259 1.00 1.72 H new ATOM 0 HE22 GLN A 2 13.048 -9.530 -2.338 1.00 1.72 H new ATOM 37 N ILE A 3 7.845 -5.616 -0.222 1.00 0.44 N ATOM 38 CA ILE A 3 7.043 -5.094 0.840 1.00 0.42 C ATOM 39 C ILE A 3 5.828 -5.951 0.744 1.00 0.40 C ATOM 40 O ILE A 3 5.557 -6.543 -0.300 1.00 0.50 O ATOM 41 CB ILE A 3 6.691 -3.636 0.865 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.816 -3.168 -0.309 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.993 -2.823 0.959 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.382 -1.711 -0.151 1.00 0.72 C ATOM 0 H ILE A 3 7.415 -5.557 -1.145 1.00 0.44 H new ATOM 0 HA ILE A 3 7.616 -5.131 1.766 1.00 0.42 H new ATOM 0 HB ILE A 3 6.067 -3.467 1.742 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.368 -3.283 -1.242 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.934 -3.804 -0.380 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.757 -1.759 0.978 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.526 -3.093 1.871 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.621 -3.040 0.095 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.766 -1.421 -1.002 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.807 -1.600 0.768 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.264 -1.072 -0.107 1.00 0.72 H new ATOM 56 N PHE A 4 5.011 -5.910 1.812 1.00 0.37 N ATOM 57 CA PHE A 4 3.803 -6.670 1.899 1.00 0.38 C ATOM 58 C PHE A 4 2.603 -5.791 1.986 1.00 0.39 C ATOM 59 O PHE A 4 2.633 -4.702 2.557 1.00 0.60 O ATOM 60 CB PHE A 4 3.770 -7.592 3.130 1.00 0.45 C ATOM 61 CG PHE A 4 4.902 -8.559 3.095 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.905 -9.603 2.202 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.005 -8.366 3.895 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.939 -10.509 2.159 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.089 -9.201 3.765 1.00 1.40 C ATOM 66 CZ PHE A 4 7.050 -10.302 2.942 1.00 0.85 C ATOM 0 H PHE A 4 5.195 -5.335 2.634 1.00 0.37 H new ATOM 0 HA PHE A 4 3.782 -7.267 0.987 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.824 -6.994 4.040 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.824 -8.133 3.160 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.077 -9.715 1.518 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.019 -7.565 4.619 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.879 -11.375 1.516 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.990 -8.988 4.321 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.879 -10.993 2.911 1.00 0.85 H new ATOM 76 N VAL A 5 1.507 -6.308 1.403 1.00 0.35 N ATOM 77 CA VAL A 5 0.243 -5.643 1.491 1.00 0.35 C ATOM 78 C VAL A 5 -0.733 -6.597 2.089 1.00 0.35 C ATOM 79 O VAL A 5 -1.182 -7.576 1.495 1.00 0.46 O ATOM 80 CB VAL A 5 -0.220 -4.866 0.295 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.593 -4.238 0.592 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.915 -3.868 0.012 1.00 0.56 C ATOM 0 H VAL A 5 1.494 -7.180 0.874 1.00 0.35 H new ATOM 0 HA VAL A 5 0.360 -4.789 2.158 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.392 -5.464 -0.600 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.930 -3.673 -0.277 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.313 -5.026 0.814 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.510 -3.570 1.449 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.655 -3.257 -0.853 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.059 -3.225 0.880 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.836 -4.413 -0.193 1.00 0.56 H new ATOM 92 N LYS A 6 -1.224 -6.297 3.305 1.00 0.36 N ATOM 93 CA LYS A 6 -2.144 -7.095 4.053 1.00 0.39 C ATOM 94 C LYS A 6 -3.513 -6.536 3.871 1.00 0.46 C ATOM 95 O LYS A 6 -3.804 -5.342 3.932 1.00 0.53 O ATOM 96 CB LYS A 6 -1.686 -7.083 5.522 1.00 0.54 C ATOM 97 CG LYS A 6 -1.482 -8.543 5.935 1.00 1.22 C ATOM 98 CD LYS A 6 -0.811 -8.773 7.290 1.00 1.37 C ATOM 99 CE LYS A 6 -0.468 -10.205 7.709 1.00 1.93 C ATOM 100 NZ LYS A 6 0.492 -10.754 6.724 1.00 2.09 N ATOM 0 H LYS A 6 -0.961 -5.442 3.796 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.169 -8.130 3.713 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.761 -6.517 5.634 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.432 -6.603 6.155 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -2.454 -9.035 5.946 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.884 -9.036 5.168 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.113 -8.195 7.303 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.462 -8.352 8.056 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.035 -10.216 8.709 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.369 -10.817 7.745 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.970 -11.583 7.130 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.018 -11.036 5.862 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 1.199 -10.029 6.486 1.00 2.09 H new ATOM 114 N THR A 7 -4.451 -7.439 3.533 1.00 0.58 N ATOM 115 CA THR A 7 -5.809 -7.008 3.411 1.00 0.78 C ATOM 116 C THR A 7 -6.600 -7.314 4.636 1.00 0.94 C ATOM 117 O THR A 7 -6.063 -7.909 5.569 1.00 0.99 O ATOM 118 CB THR A 7 -6.481 -7.624 2.220 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.461 -9.039 2.333 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.755 -7.296 0.904 1.00 0.92 C ATOM 0 H THR A 7 -4.281 -8.428 3.351 1.00 0.58 H new ATOM 0 HA THR A 7 -5.775 -5.927 3.277 1.00 0.78 H new ATOM 0 HB THR A 7 -7.493 -7.220 2.200 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.338 -9.399 2.086 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.280 -7.765 0.072 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.736 -6.216 0.759 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.734 -7.675 0.948 1.00 0.92 H new ATOM 128 N LEU A 8 -7.869 -6.867 4.649 1.00 1.17 N ATOM 129 CA LEU A 8 -8.735 -7.320 5.694 1.00 1.39 C ATOM 130 C LEU A 8 -9.210 -8.707 5.433 1.00 1.44 C ATOM 131 O LEU A 8 -9.395 -9.457 6.390 1.00 1.60 O ATOM 132 CB LEU A 8 -9.967 -6.419 5.878 1.00 1.66 C ATOM 133 CG LEU A 8 -11.215 -6.795 6.694 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.748 -7.176 8.109 1.00 2.53 C ATOM 135 CD2 LEU A 8 -12.300 -5.706 6.755 1.00 2.43 C ATOM 0 H LEU A 8 -8.281 -6.224 3.973 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.138 -7.287 6.605 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.597 -5.488 6.307 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.323 -6.188 4.874 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.700 -7.629 6.186 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -11.611 -7.449 8.716 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.063 -8.022 8.051 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.238 -6.327 8.565 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -13.140 -6.062 7.351 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.887 -4.806 7.211 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.643 -5.477 5.746 1.00 2.43 H new ATOM 147 N THR A 9 -9.400 -9.172 4.185 1.00 1.41 N ATOM 148 CA THR A 9 -9.887 -10.427 3.703 1.00 1.51 C ATOM 149 C THR A 9 -9.103 -11.625 4.115 1.00 1.37 C ATOM 150 O THR A 9 -9.677 -12.707 4.226 1.00 1.62 O ATOM 151 CB THR A 9 -10.128 -10.318 2.225 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.059 -9.709 1.517 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.359 -9.438 1.958 1.00 2.08 C ATOM 0 H THR A 9 -9.174 -8.566 3.396 1.00 1.41 H new ATOM 0 HA THR A 9 -10.836 -10.623 4.201 1.00 1.51 H new ATOM 0 HB THR A 9 -10.252 -11.345 1.880 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.279 -9.671 0.563 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.527 -9.364 0.884 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.234 -9.883 2.432 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.190 -8.442 2.368 1.00 2.08 H new ATOM 161 N GLY A 10 -7.794 -11.458 4.379 1.00 1.18 N ATOM 162 CA GLY A 10 -6.778 -12.232 5.021 1.00 1.22 C ATOM 163 C GLY A 10 -5.908 -12.717 3.913 1.00 0.99 C ATOM 164 O GLY A 10 -5.609 -13.895 3.719 1.00 1.31 O ATOM 0 H GLY A 10 -7.370 -10.584 4.068 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.213 -11.630 5.732 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.208 -13.064 5.579 1.00 1.22 H new ATOM 168 N LYS A 11 -5.368 -11.782 3.112 1.00 0.73 N ATOM 169 CA LYS A 11 -4.472 -12.058 2.031 1.00 0.60 C ATOM 170 C LYS A 11 -3.245 -11.239 2.236 1.00 0.51 C ATOM 171 O LYS A 11 -3.393 -10.129 2.746 1.00 0.63 O ATOM 172 CB LYS A 11 -5.232 -11.631 0.764 1.00 0.75 C ATOM 173 CG LYS A 11 -4.455 -11.871 -0.532 1.00 0.87 C ATOM 174 CD LYS A 11 -5.230 -11.565 -1.814 1.00 1.04 C ATOM 175 CE LYS A 11 -6.074 -12.753 -2.279 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.665 -12.331 -3.569 1.00 1.40 N ATOM 0 H LYS A 11 -5.565 -10.787 3.223 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.168 -13.102 1.960 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.176 -12.175 0.717 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.478 -10.572 0.839 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.553 -11.260 -0.516 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.134 -12.912 -0.559 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.878 -10.705 -1.648 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.530 -11.289 -2.602 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.462 -13.647 -2.400 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -6.849 -12.994 -1.551 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -7.702 -12.332 -3.493 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.336 -11.373 -3.805 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.372 -12.991 -4.317 1.00 1.40 H new ATOM 190 N THR A 12 -2.052 -11.782 1.929 1.00 0.49 N ATOM 191 CA THR A 12 -0.880 -10.971 2.040 1.00 0.48 C ATOM 192 C THR A 12 -0.243 -10.915 0.694 1.00 0.52 C ATOM 193 O THR A 12 0.264 -11.898 0.158 1.00 0.72 O ATOM 194 CB THR A 12 0.059 -11.601 3.026 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.532 -11.683 4.314 1.00 0.77 O ATOM 196 CG2 THR A 12 1.244 -10.633 3.176 1.00 0.78 C ATOM 0 H THR A 12 -1.901 -12.741 1.617 1.00 0.49 H new ATOM 0 HA THR A 12 -1.127 -9.966 2.382 1.00 0.48 H new ATOM 0 HB THR A 12 0.332 -12.597 2.677 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.248 -12.512 4.752 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.962 -11.044 3.886 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.727 -10.497 2.209 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.884 -9.671 3.540 1.00 0.78 H new ATOM 204 N ILE A 13 -0.221 -9.746 0.029 1.00 0.48 N ATOM 205 CA ILE A 13 0.342 -9.604 -1.277 1.00 0.55 C ATOM 206 C ILE A 13 1.753 -9.160 -1.093 1.00 0.51 C ATOM 207 O ILE A 13 2.102 -8.340 -0.245 1.00 0.56 O ATOM 208 CB ILE A 13 -0.480 -8.607 -2.039 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.000 -8.787 -1.884 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.098 -8.607 -3.528 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.720 -7.609 -2.541 1.00 1.55 C ATOM 0 H ILE A 13 -0.603 -8.880 0.408 1.00 0.48 H new ATOM 0 HA ILE A 13 0.337 -10.533 -1.847 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.243 -7.641 -1.594 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.315 -9.723 -2.345 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.265 -8.846 -0.828 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.707 -7.876 -4.060 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.955 -8.347 -3.633 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.271 -9.598 -3.948 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.797 -7.735 -2.432 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.413 -6.681 -2.060 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.464 -7.571 -3.600 1.00 1.55 H new ATOM 223 N THR A 14 2.646 -9.703 -1.940 1.00 0.55 N ATOM 224 CA THR A 14 4.039 -9.386 -1.977 1.00 0.54 C ATOM 225 C THR A 14 4.278 -8.513 -3.161 1.00 0.55 C ATOM 226 O THR A 14 4.121 -8.864 -4.330 1.00 0.72 O ATOM 227 CB THR A 14 4.901 -10.610 -1.884 1.00 0.67 C ATOM 228 OG1 THR A 14 4.331 -11.587 -1.026 1.00 1.08 O ATOM 229 CG2 THR A 14 6.342 -10.206 -1.533 1.00 1.03 C ATOM 0 H THR A 14 2.381 -10.400 -2.636 1.00 0.55 H new ATOM 0 HA THR A 14 4.338 -8.821 -1.094 1.00 0.54 H new ATOM 0 HB THR A 14 4.950 -11.102 -2.855 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.917 -12.372 -0.989 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.964 -11.099 -1.467 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.734 -9.547 -2.308 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.351 -9.685 -0.575 1.00 1.03 H new ATOM 237 N LEU A 15 4.736 -7.301 -2.802 1.00 0.50 N ATOM 238 CA LEU A 15 4.980 -6.363 -3.855 1.00 0.55 C ATOM 239 C LEU A 15 6.440 -6.066 -3.869 1.00 0.52 C ATOM 240 O LEU A 15 7.042 -5.684 -2.866 1.00 0.58 O ATOM 241 CB LEU A 15 4.155 -5.070 -3.747 1.00 0.69 C ATOM 242 CG LEU A 15 2.631 -5.273 -3.675 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.897 -3.958 -3.361 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.111 -5.938 -4.961 1.00 1.55 C ATOM 0 H LEU A 15 4.927 -6.983 -1.852 1.00 0.50 H new ATOM 0 HA LEU A 15 4.659 -6.816 -4.793 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.476 -4.526 -2.859 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.382 -4.440 -4.607 1.00 0.69 H new ATOM 0 HG LEU A 15 2.418 -5.949 -2.847 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.823 -4.142 -3.318 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.237 -3.572 -2.400 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.109 -3.227 -4.142 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.032 -6.073 -4.890 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.342 -5.304 -5.817 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.590 -6.909 -5.088 1.00 1.55 H new ATOM 256 N GLU A 16 7.026 -6.198 -5.072 1.00 0.59 N ATOM 257 CA GLU A 16 8.384 -5.901 -5.405 1.00 0.63 C ATOM 258 C GLU A 16 8.375 -4.455 -5.764 1.00 0.65 C ATOM 259 O GLU A 16 7.745 -4.072 -6.749 1.00 0.81 O ATOM 260 CB GLU A 16 8.721 -6.859 -6.560 1.00 0.76 C ATOM 261 CG GLU A 16 8.566 -8.338 -6.200 1.00 1.41 C ATOM 262 CD GLU A 16 8.835 -9.366 -7.290 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.336 -9.008 -8.389 1.00 1.92 O ATOM 264 OE2 GLU A 16 8.420 -10.541 -7.108 1.00 1.95 O ATOM 0 H GLU A 16 6.504 -6.542 -5.878 1.00 0.59 H new ATOM 0 HA GLU A 16 9.137 -6.044 -4.630 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.076 -6.632 -7.409 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.747 -6.678 -6.882 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.235 -8.551 -5.366 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.549 -8.490 -5.840 1.00 1.41 H new ATOM 271 N VAL A 17 9.114 -3.668 -4.962 1.00 0.61 N ATOM 272 CA VAL A 17 9.180 -2.241 -5.036 1.00 0.63 C ATOM 273 C VAL A 17 10.604 -1.846 -4.850 1.00 0.65 C ATOM 274 O VAL A 17 11.365 -2.634 -4.292 1.00 0.76 O ATOM 275 CB VAL A 17 8.372 -1.522 -3.997 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.863 -1.788 -4.130 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.804 -2.022 -2.609 1.00 0.92 C ATOM 0 H VAL A 17 9.699 -4.050 -4.219 1.00 0.61 H new ATOM 0 HA VAL A 17 8.767 -1.959 -6.004 1.00 0.63 H new ATOM 0 HB VAL A 17 8.548 -0.455 -4.132 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.328 -1.243 -3.353 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.520 -1.455 -5.109 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.671 -2.856 -4.022 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.225 -1.509 -1.841 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.629 -3.096 -2.538 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.864 -1.817 -2.462 1.00 0.92 H new ATOM 287 N GLU A 18 11.008 -0.637 -5.282 1.00 0.68 N ATOM 288 CA GLU A 18 12.233 0.006 -4.923 1.00 0.74 C ATOM 289 C GLU A 18 11.918 1.112 -3.975 1.00 0.71 C ATOM 290 O GLU A 18 10.763 1.528 -3.926 1.00 0.74 O ATOM 291 CB GLU A 18 12.984 0.629 -6.112 1.00 0.88 C ATOM 292 CG GLU A 18 13.122 -0.404 -7.233 1.00 1.16 C ATOM 293 CD GLU A 18 14.132 0.097 -8.256 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.870 1.101 -8.970 1.00 2.33 O ATOM 295 OE2 GLU A 18 15.237 -0.487 -8.413 1.00 2.35 O ATOM 0 H GLU A 18 10.444 -0.076 -5.920 1.00 0.68 H new ATOM 0 HA GLU A 18 12.874 -0.764 -4.494 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.447 1.505 -6.476 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.970 0.969 -5.794 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.446 -1.361 -6.824 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.156 -0.572 -7.710 1.00 1.16 H new ATOM 302 N PRO A 19 12.846 1.681 -3.264 1.00 0.74 N ATOM 303 CA PRO A 19 12.616 2.650 -2.233 1.00 0.74 C ATOM 304 C PRO A 19 12.207 4.002 -2.707 1.00 0.70 C ATOM 305 O PRO A 19 11.724 4.834 -1.939 1.00 0.74 O ATOM 306 CB PRO A 19 13.976 2.691 -1.541 1.00 0.86 C ATOM 307 CG PRO A 19 14.593 1.290 -1.684 1.00 0.95 C ATOM 308 CD PRO A 19 14.135 1.019 -3.127 1.00 0.82 C ATOM 0 HA PRO A 19 11.774 2.370 -1.600 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.619 3.444 -1.997 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.867 2.959 -0.490 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.677 1.286 -1.571 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.195 0.572 -0.967 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.854 1.411 -3.846 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.047 -0.051 -3.315 1.00 0.82 H new ATOM 316 N SER A 20 12.542 4.304 -3.973 1.00 0.70 N ATOM 317 CA SER A 20 12.225 5.562 -4.576 1.00 0.74 C ATOM 318 C SER A 20 10.887 5.554 -5.232 1.00 0.71 C ATOM 319 O SER A 20 10.403 6.588 -5.690 1.00 0.80 O ATOM 320 CB SER A 20 13.207 5.902 -5.710 1.00 0.89 C ATOM 321 OG SER A 20 14.547 5.859 -5.241 1.00 1.45 O ATOM 0 H SER A 20 13.042 3.664 -4.590 1.00 0.70 H new ATOM 0 HA SER A 20 12.266 6.281 -3.757 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.081 5.197 -6.531 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.986 6.894 -6.105 1.00 0.89 H new ATOM 0 HG SER A 20 15.158 6.076 -5.976 1.00 1.45 H new ATOM 327 N ASP A 21 10.129 4.443 -5.242 1.00 0.70 N ATOM 328 CA ASP A 21 8.845 4.371 -5.867 1.00 0.73 C ATOM 329 C ASP A 21 7.783 5.076 -5.095 1.00 0.64 C ATOM 330 O ASP A 21 7.675 4.988 -3.873 1.00 0.66 O ATOM 331 CB ASP A 21 8.434 2.900 -6.052 1.00 0.87 C ATOM 332 CG ASP A 21 9.341 2.104 -6.980 1.00 1.05 C ATOM 333 OD1 ASP A 21 10.224 2.580 -7.743 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.109 0.865 -6.963 1.00 1.69 O ATOM 0 H ASP A 21 10.418 3.569 -4.802 1.00 0.70 H new ATOM 0 HA ASP A 21 8.939 4.871 -6.831 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.418 2.415 -5.076 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.417 2.866 -6.442 1.00 0.87 H new ATOM 339 N THR A 22 6.830 5.793 -5.716 1.00 0.63 N ATOM 340 CA THR A 22 5.782 6.435 -4.984 1.00 0.58 C ATOM 341 C THR A 22 4.720 5.497 -4.520 1.00 0.53 C ATOM 342 O THR A 22 4.514 4.383 -4.997 1.00 0.58 O ATOM 343 CB THR A 22 5.131 7.625 -5.627 1.00 0.63 C ATOM 344 OG1 THR A 22 4.228 7.256 -6.658 1.00 0.70 O ATOM 345 CG2 THR A 22 6.143 8.486 -6.402 1.00 0.75 C ATOM 0 H THR A 22 6.785 5.929 -6.726 1.00 0.63 H new ATOM 0 HA THR A 22 6.342 6.821 -4.132 1.00 0.58 H new ATOM 0 HB THR A 22 4.656 8.139 -4.791 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.827 8.062 -7.046 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.629 9.336 -6.851 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.912 8.847 -5.719 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.606 7.886 -7.186 1.00 0.75 H new ATOM 353 N ILE A 23 3.909 5.930 -3.539 1.00 0.51 N ATOM 354 CA ILE A 23 2.784 5.203 -3.038 1.00 0.48 C ATOM 355 C ILE A 23 1.690 5.005 -4.030 1.00 0.48 C ATOM 356 O ILE A 23 1.120 3.916 -3.992 1.00 0.51 O ATOM 357 CB ILE A 23 2.255 5.781 -1.760 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.424 5.865 -0.764 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.059 4.993 -1.197 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.833 4.467 -0.301 1.00 0.73 C ATOM 0 H ILE A 23 4.043 6.828 -3.074 1.00 0.51 H new ATOM 0 HA ILE A 23 3.176 4.209 -2.824 1.00 0.48 H new ATOM 0 HB ILE A 23 1.858 6.778 -1.950 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.273 6.363 -1.232 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.135 6.469 0.096 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.720 5.459 -0.272 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.247 4.996 -1.924 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.362 3.966 -0.996 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.661 4.545 0.403 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.987 3.983 0.186 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.143 3.875 -1.162 1.00 0.73 H new ATOM 372 N GLU A 24 1.491 5.902 -5.012 1.00 0.50 N ATOM 373 CA GLU A 24 0.698 5.684 -6.181 1.00 0.53 C ATOM 374 C GLU A 24 1.126 4.585 -7.092 1.00 0.50 C ATOM 375 O GLU A 24 0.296 3.936 -7.725 1.00 0.55 O ATOM 376 CB GLU A 24 0.719 7.051 -6.883 1.00 0.64 C ATOM 377 CG GLU A 24 0.237 7.090 -8.335 1.00 0.95 C ATOM 378 CD GLU A 24 0.448 8.512 -8.836 1.00 1.05 C ATOM 379 OE1 GLU A 24 -0.218 9.435 -8.297 1.00 1.56 O ATOM 380 OE2 GLU A 24 1.177 8.695 -9.848 1.00 1.62 O ATOM 0 H GLU A 24 1.908 6.833 -4.988 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.292 5.332 -5.892 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.105 7.740 -6.303 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.740 7.432 -6.854 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.794 6.379 -8.945 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.814 6.810 -8.400 1.00 0.95 H new ATOM 387 N ASN A 25 2.440 4.309 -7.189 1.00 0.51 N ATOM 388 CA ASN A 25 2.994 3.294 -8.031 1.00 0.52 C ATOM 389 C ASN A 25 2.744 1.959 -7.419 1.00 0.47 C ATOM 390 O ASN A 25 2.438 1.006 -8.134 1.00 0.53 O ATOM 391 CB ASN A 25 4.483 3.540 -8.328 1.00 0.64 C ATOM 392 CG ASN A 25 5.068 2.601 -9.373 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.750 1.652 -8.991 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.841 2.768 -10.704 1.00 1.57 N ATOM 0 H ASN A 25 3.147 4.816 -6.657 1.00 0.51 H new ATOM 0 HA ASN A 25 2.497 3.326 -9.001 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.611 4.568 -8.666 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.050 3.436 -7.403 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.235 2.109 -11.375 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.276 3.552 -11.031 1.00 1.57 H new ATOM 401 N VAL A 26 2.886 1.904 -6.083 1.00 0.45 N ATOM 402 CA VAL A 26 2.492 0.719 -5.385 1.00 0.44 C ATOM 403 C VAL A 26 1.050 0.348 -5.424 1.00 0.40 C ATOM 404 O VAL A 26 0.714 -0.815 -5.641 1.00 0.44 O ATOM 405 CB VAL A 26 3.021 0.776 -3.982 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.814 -0.558 -3.244 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.523 1.094 -3.919 1.00 0.62 C ATOM 0 H VAL A 26 3.261 2.653 -5.501 1.00 0.45 H new ATOM 0 HA VAL A 26 2.944 -0.101 -5.944 1.00 0.44 H new ATOM 0 HB VAL A 26 2.457 1.578 -3.506 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.209 -0.479 -2.231 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.750 -0.789 -3.201 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.336 -1.353 -3.776 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.846 1.121 -2.878 1.00 0.62 H new ATOM 0 HG22 VAL A 26 5.081 0.324 -4.452 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.710 2.063 -4.382 1.00 0.62 H new ATOM 417 N LYS A 27 0.125 1.320 -5.326 1.00 0.40 N ATOM 418 CA LYS A 27 -1.276 1.101 -5.505 1.00 0.41 C ATOM 419 C LYS A 27 -1.666 0.598 -6.852 1.00 0.38 C ATOM 420 O LYS A 27 -2.421 -0.352 -7.052 1.00 0.42 O ATOM 421 CB LYS A 27 -2.247 2.253 -5.192 1.00 0.51 C ATOM 422 CG LYS A 27 -2.108 2.685 -3.731 1.00 0.76 C ATOM 423 CD LYS A 27 -2.686 4.087 -3.537 1.00 0.82 C ATOM 424 CE LYS A 27 -2.981 4.469 -2.084 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.661 5.782 -2.012 1.00 1.11 N ATOM 0 H LYS A 27 0.361 2.290 -5.115 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.394 0.342 -4.731 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.042 3.098 -5.849 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.272 1.937 -5.389 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.627 1.977 -3.084 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.058 2.673 -3.439 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -1.987 4.813 -3.953 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.608 4.166 -4.112 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.607 3.705 -1.622 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.051 4.505 -1.517 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.385 6.268 -1.135 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.385 6.361 -2.830 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.691 5.640 -2.020 1.00 1.11 H new ATOM 439 N ALA A 28 -1.046 1.121 -7.925 1.00 0.39 N ATOM 440 CA ALA A 28 -1.120 0.726 -9.297 1.00 0.39 C ATOM 441 C ALA A 28 -0.807 -0.713 -9.521 1.00 0.36 C ATOM 442 O ALA A 28 -1.482 -1.314 -10.356 1.00 0.42 O ATOM 443 CB ALA A 28 -0.216 1.690 -10.085 1.00 0.51 C ATOM 0 H ALA A 28 -0.418 1.917 -7.812 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.146 0.802 -9.656 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.239 1.428 -11.143 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.574 2.712 -9.956 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.806 1.614 -9.715 1.00 0.51 H new ATOM 449 N LYS A 29 0.183 -1.315 -8.840 1.00 0.39 N ATOM 450 CA LYS A 29 0.455 -2.718 -8.875 1.00 0.43 C ATOM 451 C LYS A 29 -0.642 -3.463 -8.197 1.00 0.44 C ATOM 452 O LYS A 29 -0.941 -4.613 -8.512 1.00 0.54 O ATOM 453 CB LYS A 29 1.809 -3.011 -8.206 1.00 0.54 C ATOM 454 CG LYS A 29 2.991 -2.720 -9.133 1.00 0.65 C ATOM 455 CD LYS A 29 4.372 -2.602 -8.484 1.00 1.08 C ATOM 456 CE LYS A 29 5.427 -2.398 -9.573 1.00 1.24 C ATOM 457 NZ LYS A 29 6.748 -2.607 -8.937 1.00 1.44 N ATOM 0 H LYS A 29 0.824 -0.800 -8.237 1.00 0.39 H new ATOM 0 HA LYS A 29 0.508 -3.048 -9.913 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.903 -2.409 -7.302 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.841 -4.056 -7.898 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.036 -3.510 -9.883 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.785 -1.790 -9.662 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.388 -1.766 -7.785 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.595 -3.501 -7.910 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.277 -3.101 -10.392 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.356 -1.396 -9.996 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.372 -3.117 -9.594 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 7.170 -1.686 -8.703 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.630 -3.165 -8.067 1.00 1.44 H new ATOM 471 N ILE A 30 -1.357 -2.896 -7.207 1.00 0.41 N ATOM 472 CA ILE A 30 -2.466 -3.649 -6.708 1.00 0.44 C ATOM 473 C ILE A 30 -3.628 -3.762 -7.631 1.00 0.45 C ATOM 474 O ILE A 30 -4.498 -4.607 -7.430 1.00 0.56 O ATOM 475 CB ILE A 30 -2.899 -3.031 -5.411 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.731 -3.151 -4.417 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.106 -3.723 -4.756 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.027 -2.684 -2.992 1.00 1.32 C ATOM 0 H ILE A 30 -1.188 -1.986 -6.779 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.117 -4.674 -6.584 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.186 -2.004 -5.638 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.414 -4.193 -4.380 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.889 -2.575 -4.802 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.355 -3.216 -3.824 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.960 -3.681 -5.431 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.860 -4.764 -4.548 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.138 -2.812 -2.375 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.311 -1.632 -3.006 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.844 -3.275 -2.578 1.00 1.32 H new ATOM 490 N GLN A 31 -3.850 -2.841 -8.585 1.00 0.41 N ATOM 491 CA GLN A 31 -4.858 -2.948 -9.595 1.00 0.48 C ATOM 492 C GLN A 31 -4.648 -4.125 -10.484 1.00 0.52 C ATOM 493 O GLN A 31 -5.577 -4.789 -10.940 1.00 0.66 O ATOM 494 CB GLN A 31 -4.995 -1.607 -10.336 1.00 0.52 C ATOM 495 CG GLN A 31 -6.369 -1.482 -10.996 1.00 0.70 C ATOM 496 CD GLN A 31 -6.488 -0.236 -11.861 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.524 0.454 -12.188 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.759 0.124 -12.187 1.00 1.43 N ATOM 0 H GLN A 31 -3.303 -1.983 -8.656 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.819 -3.147 -9.121 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.848 -0.784 -9.636 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.215 -1.525 -11.093 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.556 -2.364 -11.608 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.139 -1.460 -10.224 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.544 -0.464 -11.905 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.927 0.982 -12.713 1.00 1.43 H new ATOM 507 N ASP A 32 -3.386 -4.541 -10.696 1.00 0.50 N ATOM 508 CA ASP A 32 -3.049 -5.705 -11.454 1.00 0.60 C ATOM 509 C ASP A 32 -3.381 -6.978 -10.754 1.00 0.65 C ATOM 510 O ASP A 32 -3.427 -8.023 -11.401 1.00 0.81 O ATOM 511 CB ASP A 32 -1.526 -5.642 -11.662 1.00 0.67 C ATOM 512 CG ASP A 32 -1.186 -4.467 -12.567 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.867 -4.272 -13.609 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.111 -3.840 -12.371 1.00 1.55 O ATOM 0 H ASP A 32 -2.572 -4.049 -10.326 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.620 -5.706 -12.383 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.021 -5.533 -10.702 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.170 -6.572 -12.106 1.00 0.67 H new ATOM 519 N LYS A 33 -3.553 -6.986 -9.420 1.00 0.62 N ATOM 520 CA LYS A 33 -3.751 -8.153 -8.617 1.00 0.73 C ATOM 521 C LYS A 33 -5.204 -8.201 -8.291 1.00 0.69 C ATOM 522 O LYS A 33 -5.923 -9.154 -8.588 1.00 0.83 O ATOM 523 CB LYS A 33 -2.845 -8.021 -7.381 1.00 0.85 C ATOM 524 CG LYS A 33 -1.331 -8.027 -7.603 1.00 1.31 C ATOM 525 CD LYS A 33 -0.773 -9.375 -8.068 1.00 1.71 C ATOM 526 CE LYS A 33 0.733 -9.174 -8.241 1.00 2.26 C ATOM 527 NZ LYS A 33 1.300 -10.532 -8.395 1.00 2.62 N ATOM 0 H LYS A 33 -3.554 -6.127 -8.870 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.485 -9.087 -9.112 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -3.105 -7.093 -6.872 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.087 -8.837 -6.700 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.080 -7.267 -8.343 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.837 -7.742 -6.674 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.980 -10.156 -7.336 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.235 -9.686 -9.005 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.949 -8.558 -9.114 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.162 -8.665 -7.378 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.331 -10.466 -8.518 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.088 -11.095 -7.547 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.881 -10.991 -9.229 1.00 2.62 H new ATOM 541 N GLU A 34 -5.656 -7.125 -7.624 1.00 0.63 N ATOM 542 CA GLU A 34 -6.914 -7.119 -6.944 1.00 0.67 C ATOM 543 C GLU A 34 -7.931 -6.328 -7.690 1.00 0.69 C ATOM 544 O GLU A 34 -9.130 -6.421 -7.429 1.00 0.95 O ATOM 545 CB GLU A 34 -6.836 -6.604 -5.496 1.00 0.73 C ATOM 546 CG GLU A 34 -6.024 -7.588 -4.652 1.00 0.83 C ATOM 547 CD GLU A 34 -6.901 -8.712 -4.121 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.567 -8.540 -3.066 1.00 1.48 O ATOM 549 OE2 GLU A 34 -6.795 -9.874 -4.600 1.00 1.37 O ATOM 0 H GLU A 34 -5.142 -6.247 -7.555 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.214 -8.166 -6.901 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.372 -5.618 -5.473 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.839 -6.494 -5.083 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -5.216 -8.006 -5.253 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.561 -7.060 -3.819 1.00 0.83 H new ATOM 556 N GLY A 35 -7.510 -5.582 -8.728 1.00 0.63 N ATOM 557 CA GLY A 35 -8.346 -4.827 -9.607 1.00 0.68 C ATOM 558 C GLY A 35 -9.205 -3.846 -8.886 1.00 0.76 C ATOM 559 O GLY A 35 -10.398 -3.747 -9.168 1.00 1.12 O ATOM 0 H GLY A 35 -6.522 -5.502 -8.967 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.723 -4.297 -10.327 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.979 -5.509 -10.174 1.00 0.68 H new ATOM 563 N ILE A 36 -8.533 -3.007 -8.076 1.00 0.70 N ATOM 564 CA ILE A 36 -9.077 -1.949 -7.283 1.00 0.76 C ATOM 565 C ILE A 36 -8.442 -0.702 -7.796 1.00 0.71 C ATOM 566 O ILE A 36 -7.225 -0.710 -7.971 1.00 0.73 O ATOM 567 CB ILE A 36 -8.870 -2.113 -5.806 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.240 -3.497 -5.245 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.462 -0.900 -5.069 1.00 1.55 C ATOM 570 CD1 ILE A 36 -9.070 -3.642 -3.733 1.00 1.16 C ATOM 0 H ILE A 36 -7.521 -3.077 -7.969 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.162 -1.934 -7.381 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.798 -2.111 -5.609 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.277 -3.712 -5.502 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.626 -4.250 -5.739 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.312 -1.018 -3.996 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.965 0.009 -5.407 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.529 -0.831 -5.281 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -9.355 -4.650 -3.430 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -8.029 -3.463 -3.465 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.705 -2.917 -3.224 1.00 1.16 H new ATOM 582 N PRO A 37 -8.998 0.404 -8.193 1.00 0.75 N ATOM 583 CA PRO A 37 -8.195 1.500 -8.645 1.00 0.79 C ATOM 584 C PRO A 37 -7.505 2.276 -7.575 1.00 0.75 C ATOM 585 O PRO A 37 -8.049 2.180 -6.476 1.00 0.75 O ATOM 586 CB PRO A 37 -9.285 2.295 -9.359 1.00 0.95 C ATOM 587 CG PRO A 37 -10.567 2.139 -8.526 1.00 1.02 C ATOM 588 CD PRO A 37 -10.430 0.659 -8.136 1.00 0.85 C ATOM 0 HA PRO A 37 -7.333 1.207 -9.245 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.005 3.345 -9.444 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.435 1.922 -10.372 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -10.588 2.801 -7.660 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.470 2.339 -9.103 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.828 0.472 -7.139 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.977 0.014 -8.824 1.00 0.85 H new ATOM 596 N PRO A 38 -6.518 3.092 -7.800 1.00 0.81 N ATOM 597 CA PRO A 38 -5.870 3.756 -6.706 1.00 0.85 C ATOM 598 C PRO A 38 -6.643 4.819 -6.005 1.00 0.89 C ATOM 599 O PRO A 38 -6.338 5.125 -4.854 1.00 0.99 O ATOM 600 CB PRO A 38 -4.566 4.312 -7.274 1.00 1.01 C ATOM 601 CG PRO A 38 -4.184 3.284 -8.352 1.00 1.25 C ATOM 602 CD PRO A 38 -5.573 2.901 -8.889 1.00 0.98 C ATOM 0 HA PRO A 38 -5.730 3.022 -5.913 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.703 5.307 -7.697 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.796 4.396 -6.507 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -3.546 3.713 -9.125 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.651 2.429 -7.937 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -5.840 3.521 -9.745 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -5.582 1.866 -9.231 1.00 0.98 H new ATOM 610 N ASP A 39 -7.788 5.353 -6.464 1.00 0.96 N ATOM 611 CA ASP A 39 -8.610 6.262 -5.727 1.00 1.11 C ATOM 612 C ASP A 39 -9.394 5.584 -4.658 1.00 1.00 C ATOM 613 O ASP A 39 -9.820 6.274 -3.733 1.00 1.14 O ATOM 614 CB ASP A 39 -9.505 7.049 -6.699 1.00 1.39 C ATOM 615 CG ASP A 39 -8.766 7.824 -7.780 1.00 1.73 C ATOM 616 OD1 ASP A 39 -7.818 8.603 -7.494 1.00 2.25 O ATOM 617 OD2 ASP A 39 -9.155 7.677 -8.970 1.00 2.23 O ATOM 0 H ASP A 39 -8.158 5.142 -7.391 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.962 6.966 -5.205 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.192 6.352 -7.180 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.111 7.749 -6.123 1.00 1.39 H new ATOM 622 N GLN A 40 -9.536 4.247 -4.683 1.00 0.87 N ATOM 623 CA GLN A 40 -10.323 3.527 -3.729 1.00 0.84 C ATOM 624 C GLN A 40 -9.474 3.133 -2.570 1.00 0.67 C ATOM 625 O GLN A 40 -10.028 2.661 -1.579 1.00 0.80 O ATOM 626 CB GLN A 40 -11.109 2.361 -4.350 1.00 0.95 C ATOM 627 CG GLN A 40 -12.191 1.652 -3.532 1.00 1.32 C ATOM 628 CD GLN A 40 -12.927 0.684 -4.447 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.699 -0.521 -4.364 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.701 1.236 -5.419 1.00 2.02 N ATOM 0 H GLN A 40 -9.093 3.651 -5.383 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.101 4.192 -3.355 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.581 2.734 -5.259 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.384 1.606 -4.654 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.744 1.117 -2.695 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.886 2.379 -3.111 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.855 2.244 -5.437 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.128 0.642 -6.130 1.00 2.02 H new ATOM 639 N GLN A 41 -8.148 3.304 -2.716 1.00 0.56 N ATOM 640 CA GLN A 41 -7.205 2.610 -1.894 1.00 0.51 C ATOM 641 C GLN A 41 -6.718 3.603 -0.895 1.00 0.49 C ATOM 642 O GLN A 41 -6.204 4.680 -1.192 1.00 0.65 O ATOM 643 CB GLN A 41 -6.023 1.953 -2.623 1.00 0.67 C ATOM 644 CG GLN A 41 -6.451 0.820 -3.558 1.00 0.69 C ATOM 645 CD GLN A 41 -5.274 0.252 -4.339 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.216 -0.126 -3.840 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.410 0.071 -5.680 1.00 0.61 N ATOM 0 H GLN A 41 -7.727 3.926 -3.406 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.719 1.758 -1.448 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.492 2.711 -3.199 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.321 1.563 -1.886 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.917 0.025 -2.975 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.204 1.189 -4.254 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.266 0.365 -6.150 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.656 -0.359 -6.216 1.00 0.61 H new ATOM 656 N ARG A 42 -6.723 3.157 0.373 1.00 0.47 N ATOM 657 CA ARG A 42 -6.077 3.858 1.439 1.00 0.55 C ATOM 658 C ARG A 42 -5.040 3.030 2.118 1.00 0.46 C ATOM 659 O ARG A 42 -5.312 1.987 2.711 1.00 0.52 O ATOM 660 CB ARG A 42 -7.171 4.335 2.409 1.00 0.73 C ATOM 661 CG ARG A 42 -6.663 4.890 3.740 1.00 1.04 C ATOM 662 CD ARG A 42 -7.863 5.491 4.474 1.00 1.28 C ATOM 663 NE ARG A 42 -8.123 6.844 3.904 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.043 7.632 4.534 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.839 7.215 5.561 1.00 2.34 N ATOM 666 NH2 ARG A 42 -8.937 8.975 4.318 1.00 2.78 N ATOM 0 H ARG A 42 -7.184 2.295 0.664 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.533 4.715 1.042 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.762 5.105 1.914 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.842 3.501 2.614 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.205 4.100 4.335 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.897 5.647 3.573 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.739 4.854 4.357 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.660 5.561 5.543 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.631 7.170 3.072 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.768 6.258 5.905 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.505 7.861 5.984 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.200 9.338 3.714 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -9.595 9.616 4.761 1.00 2.78 H new ATOM 680 N LEU A 43 -3.754 3.386 1.959 1.00 0.46 N ATOM 681 CA LEU A 43 -2.704 2.649 2.590 1.00 0.42 C ATOM 682 C LEU A 43 -2.314 3.114 3.951 1.00 0.43 C ATOM 683 O LEU A 43 -2.202 4.325 4.138 1.00 0.55 O ATOM 684 CB LEU A 43 -1.484 2.472 1.669 1.00 0.55 C ATOM 685 CG LEU A 43 -1.660 1.433 0.550 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.610 1.703 -0.541 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.592 -0.045 0.973 1.00 1.12 C ATOM 0 H LEU A 43 -3.442 4.178 1.398 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.145 1.668 2.764 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.247 3.435 1.216 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.626 2.186 2.278 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.682 1.565 0.194 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.722 0.973 -1.343 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.751 2.707 -0.942 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.389 1.621 -0.113 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.730 -0.681 0.098 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.620 -0.251 1.422 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.378 -0.252 1.699 1.00 1.12 H new ATOM 699 N ILE A 44 -2.193 2.183 4.914 1.00 0.42 N ATOM 700 CA ILE A 44 -1.841 2.386 6.286 1.00 0.46 C ATOM 701 C ILE A 44 -0.653 1.584 6.690 1.00 0.42 C ATOM 702 O ILE A 44 -0.480 0.383 6.484 1.00 0.53 O ATOM 703 CB ILE A 44 -2.898 2.014 7.283 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.232 2.723 6.996 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.433 2.186 8.739 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.326 4.242 7.144 1.00 1.27 C ATOM 0 H ILE A 44 -2.357 1.197 4.711 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.664 3.461 6.312 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.079 0.946 7.159 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.519 2.476 5.974 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.983 2.284 7.653 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.240 1.902 9.415 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.566 1.551 8.922 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.163 3.227 8.914 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.337 4.569 6.902 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.089 4.523 8.170 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.619 4.718 6.465 1.00 1.27 H new ATOM 718 N PHE A 45 0.339 2.322 7.218 1.00 0.42 N ATOM 719 CA PHE A 45 1.581 1.859 7.753 1.00 0.46 C ATOM 720 C PHE A 45 1.713 2.364 9.149 1.00 0.68 C ATOM 721 O PHE A 45 1.796 3.549 9.466 1.00 1.50 O ATOM 722 CB PHE A 45 2.714 2.429 6.883 1.00 0.56 C ATOM 723 CG PHE A 45 4.054 2.054 7.414 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.475 0.764 7.643 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.982 3.066 7.485 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.697 0.537 8.230 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.178 2.847 8.128 1.00 1.33 C ATOM 728 CZ PHE A 45 6.527 1.585 8.551 1.00 1.02 C ATOM 0 H PHE A 45 0.262 3.338 7.275 1.00 0.42 H new ATOM 0 HA PHE A 45 1.627 0.770 7.756 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.610 2.061 5.862 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.630 3.515 6.840 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.847 -0.068 7.362 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.773 4.027 7.039 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.008 -0.475 8.441 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.850 3.674 8.303 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.430 1.422 9.121 1.00 1.02 H new ATOM 738 N ALA A 46 1.560 1.360 10.032 1.00 0.81 N ATOM 739 CA ALA A 46 1.592 1.530 11.451 1.00 0.96 C ATOM 740 C ALA A 46 0.385 2.203 12.010 1.00 0.97 C ATOM 741 O ALA A 46 -0.556 1.656 12.582 1.00 1.21 O ATOM 742 CB ALA A 46 2.860 2.173 12.036 1.00 1.20 C ATOM 0 H ALA A 46 1.408 0.393 9.746 1.00 0.81 H new ATOM 0 HA ALA A 46 1.602 0.491 11.779 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.764 2.248 13.119 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.726 1.559 11.790 1.00 1.20 H new ATOM 0 HB3 ALA A 46 2.991 3.169 11.614 1.00 1.20 H new ATOM 748 N GLY A 47 0.366 3.523 11.755 1.00 0.99 N ATOM 749 CA GLY A 47 -0.565 4.542 12.132 1.00 1.10 C ATOM 750 C GLY A 47 -0.718 5.641 11.139 1.00 1.03 C ATOM 751 O GLY A 47 -1.659 6.433 11.138 1.00 1.30 O ATOM 0 H GLY A 47 1.119 3.930 11.201 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.539 4.082 12.298 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.249 4.971 13.083 1.00 1.10 H new ATOM 755 N LYS A 48 0.168 5.695 10.128 1.00 0.98 N ATOM 756 CA LYS A 48 0.315 6.717 9.140 1.00 1.05 C ATOM 757 C LYS A 48 -0.413 6.438 7.869 1.00 0.84 C ATOM 758 O LYS A 48 -0.285 5.321 7.371 1.00 0.81 O ATOM 759 CB LYS A 48 1.811 6.833 8.800 1.00 1.42 C ATOM 760 CG LYS A 48 2.757 7.181 9.950 1.00 1.61 C ATOM 761 CD LYS A 48 4.201 7.293 9.454 1.00 1.87 C ATOM 762 CE LYS A 48 5.091 7.500 10.681 1.00 2.22 C ATOM 763 NZ LYS A 48 4.967 8.933 11.026 1.00 2.55 N ATOM 0 H LYS A 48 0.848 4.947 9.992 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.106 7.630 9.562 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.135 5.886 8.369 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.925 7.592 8.026 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.451 8.122 10.406 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.692 6.416 10.724 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.493 6.391 8.916 1.00 1.87 H new ATOM 0 HD3 LYS A 48 4.305 8.127 8.759 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.770 6.868 11.509 1.00 2.22 H new ATOM 0 HE3 LYS A 48 6.126 7.238 10.463 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.886 9.402 10.894 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.259 9.379 10.408 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.669 9.027 12.018 1.00 2.55 H new ATOM 777 N GLN A 49 -1.325 7.328 7.439 1.00 0.84 N ATOM 778 CA GLN A 49 -1.942 7.335 6.149 1.00 0.80 C ATOM 779 C GLN A 49 -0.990 7.789 5.097 1.00 0.72 C ATOM 780 O GLN A 49 -0.614 8.959 5.134 1.00 0.83 O ATOM 781 CB GLN A 49 -3.280 8.090 6.227 1.00 1.03 C ATOM 782 CG GLN A 49 -4.254 7.659 5.128 1.00 1.67 C ATOM 783 CD GLN A 49 -5.487 8.538 5.278 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.623 9.476 4.494 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.411 8.331 6.254 1.00 2.48 N ATOM 0 H GLN A 49 -1.652 8.092 8.031 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.199 6.324 5.834 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.736 7.917 7.202 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.096 9.161 6.147 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.806 7.783 4.142 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.513 6.605 5.230 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.300 7.554 6.905 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.215 8.953 6.335 1.00 2.48 H new ATOM 794 N LEU A 50 -0.602 7.017 4.065 1.00 0.69 N ATOM 795 CA LEU A 50 0.437 7.406 3.164 1.00 0.66 C ATOM 796 C LEU A 50 -0.068 8.131 1.964 1.00 0.72 C ATOM 797 O LEU A 50 -0.880 7.590 1.215 1.00 0.90 O ATOM 798 CB LEU A 50 1.148 6.129 2.685 1.00 0.65 C ATOM 799 CG LEU A 50 1.701 5.247 3.818 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.255 3.977 3.151 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.861 5.801 4.663 1.00 0.74 C ATOM 0 H LEU A 50 -1.016 6.109 3.854 1.00 0.69 H new ATOM 0 HA LEU A 50 1.102 8.084 3.699 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.450 5.540 2.090 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.969 6.410 2.026 1.00 0.65 H new ATOM 0 HG LEU A 50 0.864 5.128 4.506 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.662 3.313 3.914 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.453 3.467 2.617 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.043 4.249 2.449 1.00 0.77 H new ATOM 0 HD21 LEU A 50 3.142 5.069 5.420 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.716 6.003 4.018 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.548 6.724 5.150 1.00 0.74 H new ATOM 813 N GLU A 51 0.504 9.309 1.656 1.00 0.70 N ATOM 814 CA GLU A 51 0.167 10.131 0.536 1.00 0.76 C ATOM 815 C GLU A 51 0.664 9.583 -0.758 1.00 0.77 C ATOM 816 O GLU A 51 1.718 8.958 -0.869 1.00 1.23 O ATOM 817 CB GLU A 51 0.504 11.614 0.763 1.00 0.88 C ATOM 818 CG GLU A 51 -0.328 12.354 1.814 1.00 1.35 C ATOM 819 CD GLU A 51 -0.033 13.845 1.744 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.997 14.258 1.147 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.893 14.609 2.259 1.00 1.89 O ATOM 0 H GLU A 51 1.248 9.712 2.226 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.919 10.101 0.449 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.554 11.685 1.048 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.396 12.137 -0.187 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.390 12.175 1.644 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.096 11.974 2.809 1.00 1.35 H new ATOM 828 N ASP A 52 -0.081 9.797 -1.856 1.00 0.66 N ATOM 829 CA ASP A 52 0.173 9.161 -3.112 1.00 0.65 C ATOM 830 C ASP A 52 1.450 9.541 -3.778 1.00 0.60 C ATOM 831 O ASP A 52 2.236 8.653 -4.107 1.00 0.62 O ATOM 832 CB ASP A 52 -1.021 9.564 -3.993 1.00 0.81 C ATOM 833 CG ASP A 52 -2.340 8.938 -3.560 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.498 7.692 -3.656 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.166 9.730 -3.033 1.00 1.56 O ATOM 0 H ASP A 52 -0.882 10.429 -1.872 1.00 0.66 H new ATOM 0 HA ASP A 52 0.281 8.088 -2.953 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.122 10.649 -3.978 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.814 9.277 -5.024 1.00 0.81 H new ATOM 840 N GLY A 53 1.775 10.836 -3.938 1.00 0.68 N ATOM 841 CA GLY A 53 3.113 11.129 -4.351 1.00 0.73 C ATOM 842 C GLY A 53 4.119 11.444 -3.298 1.00 0.72 C ATOM 843 O GLY A 53 4.806 12.465 -3.300 1.00 0.97 O ATOM 0 H GLY A 53 1.158 11.635 -3.793 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.481 10.275 -4.919 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.073 11.975 -5.037 1.00 0.73 H new ATOM 847 N ARG A 54 4.219 10.538 -2.310 1.00 0.64 N ATOM 848 CA ARG A 54 5.326 10.411 -1.414 1.00 0.63 C ATOM 849 C ARG A 54 5.939 9.086 -1.710 1.00 0.59 C ATOM 850 O ARG A 54 5.369 8.219 -2.371 1.00 0.62 O ATOM 851 CB ARG A 54 4.968 10.624 0.067 1.00 0.69 C ATOM 852 CG ARG A 54 4.411 12.002 0.428 1.00 0.82 C ATOM 853 CD ARG A 54 5.465 13.111 0.408 1.00 1.18 C ATOM 854 NE ARG A 54 4.760 14.424 0.435 1.00 1.50 N ATOM 855 CZ ARG A 54 5.476 15.579 0.300 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.819 15.572 0.540 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.787 16.704 -0.048 1.00 2.49 N ATOM 0 H ARG A 54 3.484 9.855 -2.126 1.00 0.64 H new ATOM 0 HA ARG A 54 6.046 11.212 -1.580 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.235 9.870 0.356 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.861 10.446 0.666 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.614 12.257 -0.270 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.963 11.955 1.421 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.130 13.019 1.267 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.085 13.031 -0.485 1.00 1.18 H new ATOM 0 HE ARG A 54 3.748 14.460 0.554 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.283 14.707 0.819 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.359 16.431 0.441 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.779 16.659 -0.196 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.280 17.590 -0.160 1.00 2.49 H new ATOM 871 N THR A 55 7.199 8.889 -1.281 1.00 0.63 N ATOM 872 CA THR A 55 7.872 7.643 -1.474 1.00 0.61 C ATOM 873 C THR A 55 8.079 6.798 -0.264 1.00 0.59 C ATOM 874 O THR A 55 7.912 7.254 0.866 1.00 0.64 O ATOM 875 CB THR A 55 9.165 7.829 -2.212 1.00 0.68 C ATOM 876 OG1 THR A 55 10.160 8.528 -1.479 1.00 0.75 O ATOM 877 CG2 THR A 55 9.000 8.503 -3.585 1.00 0.76 C ATOM 0 H THR A 55 7.753 9.596 -0.798 1.00 0.63 H new ATOM 0 HA THR A 55 7.167 7.073 -2.079 1.00 0.61 H new ATOM 0 HB THR A 55 9.506 6.804 -2.359 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.754 9.297 -1.027 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.976 8.604 -4.060 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.352 7.893 -4.214 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.555 9.490 -3.455 1.00 0.76 H new ATOM 885 N LEU A 56 8.631 5.593 -0.490 1.00 0.58 N ATOM 886 CA LEU A 56 9.059 4.694 0.536 1.00 0.59 C ATOM 887 C LEU A 56 10.200 5.189 1.357 1.00 0.64 C ATOM 888 O LEU A 56 10.349 5.024 2.567 1.00 0.70 O ATOM 889 CB LEU A 56 9.324 3.279 -0.007 1.00 0.60 C ATOM 890 CG LEU A 56 8.201 2.543 -0.757 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.668 1.110 -1.066 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.869 2.433 0.003 1.00 1.03 C ATOM 0 H LEU A 56 8.786 5.229 -1.430 1.00 0.58 H new ATOM 0 HA LEU A 56 8.215 4.639 1.223 1.00 0.59 H new ATOM 0 HB2 LEU A 56 10.182 3.340 -0.677 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.621 2.654 0.835 1.00 0.60 H new ATOM 0 HG LEU A 56 8.010 3.141 -1.648 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.880 0.577 -1.598 1.00 1.05 H new ATOM 0 HD12 LEU A 56 9.564 1.145 -1.685 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.891 0.591 -0.134 1.00 1.05 H new ATOM 0 HD21 LEU A 56 6.143 1.898 -0.610 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.026 1.891 0.936 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.492 3.432 0.223 1.00 1.03 H new ATOM 904 N SER A 57 11.089 5.986 0.738 1.00 0.68 N ATOM 905 CA SER A 57 12.127 6.672 1.443 1.00 0.75 C ATOM 906 C SER A 57 11.730 7.689 2.458 1.00 0.76 C ATOM 907 O SER A 57 12.300 7.772 3.545 1.00 0.84 O ATOM 908 CB SER A 57 13.061 7.292 0.391 1.00 0.84 C ATOM 909 OG SER A 57 14.383 7.507 0.864 1.00 1.19 O ATOM 0 H SER A 57 11.087 6.157 -0.268 1.00 0.68 H new ATOM 0 HA SER A 57 12.607 5.915 2.063 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.097 6.639 -0.481 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.643 8.243 0.060 1.00 0.84 H new ATOM 0 HG SER A 57 14.926 7.900 0.149 1.00 1.19 H new ATOM 915 N ASP A 58 10.751 8.539 2.102 1.00 0.75 N ATOM 916 CA ASP A 58 10.216 9.660 2.809 1.00 0.78 C ATOM 917 C ASP A 58 9.548 9.209 4.062 1.00 0.77 C ATOM 918 O ASP A 58 9.704 9.849 5.101 1.00 0.86 O ATOM 919 CB ASP A 58 9.170 10.417 1.973 1.00 0.83 C ATOM 920 CG ASP A 58 9.691 11.059 0.695 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.607 11.907 0.867 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.196 10.836 -0.442 1.00 1.86 O ATOM 0 H ASP A 58 10.279 8.422 1.206 1.00 0.75 H new ATOM 0 HA ASP A 58 11.054 10.321 3.028 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.370 9.725 1.711 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.727 11.195 2.595 1.00 0.83 H new ATOM 927 N TYR A 59 8.870 8.049 4.018 1.00 0.72 N ATOM 928 CA TYR A 59 8.056 7.448 5.029 1.00 0.73 C ATOM 929 C TYR A 59 8.834 6.409 5.762 1.00 0.76 C ATOM 930 O TYR A 59 8.348 5.887 6.764 1.00 0.89 O ATOM 931 CB TYR A 59 6.826 6.813 4.358 1.00 0.73 C ATOM 932 CG TYR A 59 5.700 7.773 4.175 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.245 8.493 5.255 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.086 7.864 2.949 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.106 9.243 5.079 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.975 8.656 2.776 1.00 0.70 C ATOM 937 CZ TYR A 59 3.499 9.369 3.851 1.00 0.74 C ATOM 938 OH TYR A 59 2.449 10.301 3.712 1.00 0.86 O ATOM 0 H TYR A 59 8.897 7.470 3.179 1.00 0.72 H new ATOM 0 HA TYR A 59 7.736 8.206 5.744 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.116 6.412 3.387 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.484 5.972 4.961 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.762 8.470 6.203 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.480 7.307 2.112 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.675 9.748 5.931 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.486 8.717 1.815 1.00 0.70 H new ATOM 0 HH TYR A 59 2.589 11.046 4.333 1.00 0.86 H new ATOM 948 N ASN A 60 10.038 5.995 5.331 1.00 0.74 N ATOM 949 CA ASN A 60 10.910 5.034 5.932 1.00 0.79 C ATOM 950 C ASN A 60 10.297 3.681 6.043 1.00 0.75 C ATOM 951 O ASN A 60 10.195 2.966 7.039 1.00 0.86 O ATOM 952 CB ASN A 60 11.481 5.551 7.263 1.00 0.95 C ATOM 953 CG ASN A 60 12.110 6.930 7.132 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.528 7.831 7.736 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.215 7.104 6.359 1.00 1.83 N ATOM 0 H ASN A 60 10.440 6.374 4.473 1.00 0.74 H new ATOM 0 HA ASN A 60 11.755 4.904 5.256 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.684 5.588 8.006 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.228 4.848 7.631 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.619 8.034 6.248 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.640 6.304 5.890 1.00 1.83 H new ATOM 962 N ILE A 61 9.881 3.293 4.824 1.00 0.67 N ATOM 963 CA ILE A 61 9.247 2.052 4.506 1.00 0.65 C ATOM 964 C ILE A 61 10.257 1.230 3.782 1.00 0.66 C ATOM 965 O ILE A 61 10.542 1.348 2.591 1.00 0.75 O ATOM 966 CB ILE A 61 7.945 2.111 3.762 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.918 2.844 4.642 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.435 0.708 3.396 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.710 3.379 3.875 1.00 0.82 C ATOM 0 H ILE A 61 9.996 3.889 4.005 1.00 0.67 H new ATOM 0 HA ILE A 61 8.931 1.609 5.451 1.00 0.65 H new ATOM 0 HB ILE A 61 8.094 2.648 2.825 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.570 2.164 5.419 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.413 3.675 5.145 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.491 0.793 2.859 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.169 0.208 2.764 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.284 0.127 4.306 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.034 3.882 4.566 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.045 4.086 3.116 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.188 2.551 3.395 1.00 0.82 H new ATOM 981 N GLN A 62 10.826 0.298 4.566 1.00 0.67 N ATOM 982 CA GLN A 62 11.987 -0.508 4.342 1.00 0.70 C ATOM 983 C GLN A 62 11.622 -1.908 3.987 1.00 0.62 C ATOM 984 O GLN A 62 10.457 -2.274 3.841 1.00 0.64 O ATOM 985 CB GLN A 62 12.737 -0.481 5.685 1.00 0.85 C ATOM 986 CG GLN A 62 13.468 0.847 5.889 1.00 1.27 C ATOM 987 CD GLN A 62 14.440 0.843 7.059 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.206 0.466 8.207 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.671 1.320 6.733 1.00 2.16 N ATOM 0 H GLN A 62 10.415 0.085 5.475 1.00 0.67 H new ATOM 0 HA GLN A 62 12.584 -0.131 3.512 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.031 -0.639 6.501 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.454 -1.302 5.720 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.013 1.094 4.978 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.732 1.636 6.044 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.861 1.632 5.781 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.404 1.366 7.441 1.00 2.16 H new ATOM 998 N LYS A 63 12.597 -2.764 3.636 1.00 0.64 N ATOM 999 CA LYS A 63 12.391 -4.133 3.276 1.00 0.62 C ATOM 1000 C LYS A 63 11.672 -4.940 4.302 1.00 0.59 C ATOM 1001 O LYS A 63 11.928 -4.811 5.498 1.00 0.66 O ATOM 1002 CB LYS A 63 13.697 -4.784 2.789 1.00 0.74 C ATOM 1003 CG LYS A 63 14.873 -4.775 3.768 1.00 0.89 C ATOM 1004 CD LYS A 63 16.090 -5.605 3.353 1.00 1.11 C ATOM 1005 CE LYS A 63 17.254 -5.709 4.340 1.00 1.47 C ATOM 1006 NZ LYS A 63 18.476 -6.113 3.610 1.00 2.12 N ATOM 0 H LYS A 63 13.578 -2.488 3.601 1.00 0.64 H new ATOM 0 HA LYS A 63 11.701 -4.123 2.433 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.483 -5.819 2.523 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.010 -4.278 1.876 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.193 -3.743 3.913 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.521 -5.138 4.733 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.746 -6.616 3.133 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.477 -5.190 2.422 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.412 -4.752 4.836 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.023 -6.437 5.118 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 19.271 -6.185 4.277 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 18.320 -7.036 3.156 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.697 -5.403 2.883 1.00 2.12 H new ATOM 1020 N GLU A 64 10.749 -5.797 3.830 1.00 0.57 N ATOM 1021 CA GLU A 64 9.881 -6.688 4.535 1.00 0.58 C ATOM 1022 C GLU A 64 8.850 -5.973 5.340 1.00 0.56 C ATOM 1023 O GLU A 64 8.585 -6.378 6.471 1.00 0.70 O ATOM 1024 CB GLU A 64 10.594 -7.780 5.350 1.00 0.72 C ATOM 1025 CG GLU A 64 11.386 -8.764 4.486 1.00 0.96 C ATOM 1026 CD GLU A 64 11.809 -9.963 5.321 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.161 -9.786 6.518 1.00 1.71 O ATOM 1028 OE2 GLU A 64 11.746 -11.105 4.790 1.00 1.69 O ATOM 0 H GLU A 64 10.596 -5.871 2.824 1.00 0.57 H new ATOM 0 HA GLU A 64 9.361 -7.227 3.743 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.270 -7.308 6.063 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.854 -8.331 5.930 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.777 -9.093 3.644 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.265 -8.271 4.071 1.00 0.96 H new ATOM 1035 N SER A 65 8.261 -4.868 4.851 1.00 0.51 N ATOM 1036 CA SER A 65 7.431 -4.006 5.635 1.00 0.51 C ATOM 1037 C SER A 65 6.041 -4.196 5.132 1.00 0.43 C ATOM 1038 O SER A 65 5.804 -4.274 3.928 1.00 0.50 O ATOM 1039 CB SER A 65 7.756 -2.504 5.587 1.00 0.65 C ATOM 1040 OG SER A 65 7.043 -1.746 6.553 1.00 1.04 O ATOM 0 H SER A 65 8.365 -4.565 3.883 1.00 0.51 H new ATOM 0 HA SER A 65 7.591 -4.286 6.676 1.00 0.51 H new ATOM 0 HB2 SER A 65 8.826 -2.365 5.743 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.527 -2.121 4.593 1.00 0.65 H new ATOM 0 HG SER A 65 7.142 -0.791 6.358 1.00 1.04 H new ATOM 1046 N THR A 66 5.079 -4.285 6.068 1.00 0.45 N ATOM 1047 CA THR A 66 3.682 -4.542 5.905 1.00 0.45 C ATOM 1048 C THR A 66 2.836 -3.316 5.884 1.00 0.43 C ATOM 1049 O THR A 66 2.796 -2.677 6.933 1.00 0.58 O ATOM 1050 CB THR A 66 3.078 -5.446 6.939 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.861 -6.631 6.926 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.631 -5.856 6.617 1.00 0.78 C ATOM 0 H THR A 66 5.312 -4.162 7.053 1.00 0.45 H new ATOM 0 HA THR A 66 3.674 -5.035 4.933 1.00 0.45 H new ATOM 0 HB THR A 66 3.064 -4.921 7.894 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.510 -7.262 7.589 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.254 -6.509 7.404 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.006 -4.965 6.554 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.606 -6.385 5.664 1.00 0.78 H new ATOM 1060 N LEU A 67 2.249 -2.936 4.734 1.00 0.38 N ATOM 1061 CA LEU A 67 1.249 -1.931 4.555 1.00 0.38 C ATOM 1062 C LEU A 67 -0.080 -2.605 4.570 1.00 0.37 C ATOM 1063 O LEU A 67 -0.158 -3.785 4.234 1.00 0.50 O ATOM 1064 CB LEU A 67 1.458 -1.113 3.270 1.00 0.46 C ATOM 1065 CG LEU A 67 2.899 -0.700 2.928 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.676 -0.050 1.552 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.524 0.163 4.038 1.00 1.31 C ATOM 0 H LEU A 67 2.500 -3.376 3.849 1.00 0.38 H new ATOM 0 HA LEU A 67 1.314 -1.208 5.368 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.064 -1.691 2.434 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.855 -0.208 3.344 1.00 0.46 H new ATOM 0 HG LEU A 67 3.647 -1.491 2.874 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.628 0.306 1.159 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.253 -0.785 0.867 1.00 1.40 H new ATOM 0 HD13 LEU A 67 1.988 0.790 1.653 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.542 0.434 3.758 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.931 1.068 4.172 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.542 -0.401 4.971 1.00 1.31 H new ATOM 1079 N HIS A 68 -1.071 -1.862 5.093 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.382 -2.387 5.323 1.00 0.37 C ATOM 1081 C HIS A 68 -3.220 -1.708 4.296 1.00 0.35 C ATOM 1082 O HIS A 68 -3.129 -0.502 4.073 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.850 -2.197 6.776 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.918 -2.796 7.787 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.631 -2.335 7.976 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.003 -3.876 8.609 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.049 -3.098 8.873 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.801 -4.027 9.271 1.00 1.51 N ATOM 0 H HIS A 68 -0.962 -0.884 5.360 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.438 -3.470 5.215 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.957 -1.131 6.979 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.837 -2.645 6.893 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -0.238 -1.522 7.501 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -2.869 -4.511 8.725 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.072 -2.971 9.194 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.925 -2.463 3.435 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.862 -1.933 2.493 1.00 0.38 C ATOM 1098 C LEU A 69 -6.162 -1.694 3.183 1.00 0.41 C ATOM 1099 O LEU A 69 -6.784 -2.703 3.508 1.00 0.56 O ATOM 1100 CB LEU A 69 -5.048 -2.943 1.347 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.863 -2.430 0.148 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.167 -1.255 -0.560 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.152 -3.607 -0.800 1.00 1.14 C ATOM 0 H LEU A 69 -3.840 -3.479 3.393 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.495 -0.992 2.084 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.064 -3.251 0.992 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.537 -3.833 1.744 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.813 -2.030 0.503 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.777 -0.924 -1.401 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.039 -0.431 0.142 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.191 -1.576 -0.924 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.730 -3.253 -1.654 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.211 -4.032 -1.150 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.720 -4.371 -0.269 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.487 -0.410 3.420 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.803 -0.036 3.835 1.00 0.56 C ATOM 1117 C VAL A 70 -8.478 0.418 2.587 1.00 0.55 C ATOM 1118 O VAL A 70 -7.873 0.911 1.637 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.704 1.094 4.816 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.109 1.644 5.118 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.210 0.483 6.138 1.00 0.97 C ATOM 0 H VAL A 70 -5.837 0.370 3.324 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.347 -0.848 4.318 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.056 1.876 4.420 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.033 2.465 5.831 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.564 2.005 4.196 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.727 0.852 5.541 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.120 1.267 6.890 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.922 -0.268 6.480 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.237 0.017 5.982 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.789 0.162 2.432 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.554 0.568 1.293 1.00 0.84 C ATOM 1133 C LEU A 71 -11.500 1.658 1.659 1.00 0.85 C ATOM 1134 O LEU A 71 -12.096 1.672 2.735 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.228 -0.584 0.529 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.204 -1.550 -0.088 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.895 -2.744 -0.767 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.301 -0.978 -1.195 1.00 2.78 C ATOM 0 H LEU A 71 -10.337 -0.347 3.125 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.841 0.966 0.572 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.881 -1.134 1.207 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.859 -0.174 -0.260 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.599 -1.806 0.782 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.141 -3.407 -1.192 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.484 -3.290 -0.031 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.550 -2.383 -1.560 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.623 -1.755 -1.549 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.918 -0.629 -2.023 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.722 -0.145 -0.798 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.655 2.713 0.838 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.531 3.837 0.960 1.00 1.10 C ATOM 1152 C ARG A 72 -13.888 3.553 0.416 1.00 1.35 C ATOM 1153 O ARG A 72 -14.309 2.424 0.175 1.00 1.56 O ATOM 1154 CB ARG A 72 -11.976 5.081 0.246 1.00 1.34 C ATOM 1155 CG ARG A 72 -10.628 5.537 0.808 1.00 1.65 C ATOM 1156 CD ARG A 72 -9.874 6.569 -0.032 1.00 1.99 C ATOM 1157 NE ARG A 72 -10.680 7.821 -0.091 1.00 2.54 N ATOM 1158 CZ ARG A 72 -10.268 9.022 -0.592 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -9.171 9.153 -1.395 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -10.885 10.195 -0.268 1.00 3.75 N ATOM 0 H ARG A 72 -11.097 2.782 -0.013 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.604 4.033 2.030 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -11.867 4.865 -0.817 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -12.695 5.895 0.334 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -10.792 5.954 1.802 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -9.991 4.661 0.931 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -8.896 6.770 0.405 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -9.701 6.184 -1.037 1.00 1.99 H new ATOM 0 HE ARG A 72 -11.630 7.776 0.278 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -8.620 8.331 -1.644 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -8.902 10.072 -1.745 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -11.682 10.193 0.368 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -10.549 11.074 -0.662 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.735 4.598 0.393 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.032 4.658 -0.205 1.00 1.93 C ATOM 1176 C LEU A 73 -15.917 5.828 -1.120 1.00 2.13 C ATOM 1177 O LEU A 73 -14.953 6.593 -1.137 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.178 4.964 0.773 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.167 3.983 1.959 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.182 4.409 3.033 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.381 2.506 1.588 1.00 3.14 C ATOM 0 H LEU A 73 -14.486 5.483 0.835 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.276 3.696 -0.655 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -17.084 5.986 1.141 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -18.133 4.899 0.252 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.153 4.041 2.353 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -18.155 3.700 3.860 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -17.928 5.404 3.399 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.183 4.425 2.602 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -17.356 1.897 2.491 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.348 2.390 1.099 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.591 2.183 0.911 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.951 6.077 -1.942 1.00 2.32 N ATOM 1194 CA ARG A 74 -16.992 7.231 -2.786 1.00 2.55 C ATOM 1195 C ARG A 74 -17.670 8.455 -2.275 1.00 2.58 C ATOM 1196 O ARG A 74 -18.504 8.497 -1.372 1.00 3.08 O ATOM 1197 CB ARG A 74 -17.737 6.725 -4.033 1.00 3.29 C ATOM 1198 CG ARG A 74 -17.905 7.620 -5.262 1.00 4.01 C ATOM 1199 CD ARG A 74 -18.366 6.932 -6.549 1.00 4.67 C ATOM 1200 NE ARG A 74 -19.675 6.285 -6.255 1.00 5.36 N ATOM 1201 CZ ARG A 74 -20.136 5.024 -6.504 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -19.524 4.160 -7.365 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -21.443 4.743 -6.231 1.00 6.80 N ATOM 0 H ARG A 74 -17.768 5.472 -2.023 1.00 2.32 H new ATOM 0 HA ARG A 74 -15.970 7.584 -2.923 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -17.229 5.819 -4.364 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -18.736 6.431 -3.712 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -18.622 8.404 -5.018 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -16.952 8.111 -5.460 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -18.467 7.656 -7.358 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -17.635 6.192 -6.873 1.00 4.67 H new ATOM 0 HE ARG A 74 -20.346 6.892 -5.784 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -18.679 4.446 -7.860 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -19.912 3.228 -7.514 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -22.052 5.467 -5.850 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -21.812 3.809 -6.408 1.00 6.80 H new ATOM 1217 N GLY A 75 -17.151 9.585 -2.789 1.00 2.73 N ATOM 1218 CA GLY A 75 -17.400 10.888 -2.256 1.00 3.22 C ATOM 1219 C GLY A 75 -16.159 11.703 -2.142 1.00 3.16 C ATOM 1220 O GLY A 75 -15.704 12.269 -3.135 1.00 3.57 O ATOM 0 H GLY A 75 -16.537 9.591 -3.604 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -18.115 11.408 -2.894 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -17.860 10.793 -1.273 1.00 3.22 H new ATOM 1224 N GLY A 76 -15.477 11.622 -0.986 1.00 3.14 N ATOM 1225 CA GLY A 76 -14.225 12.267 -0.737 1.00 3.37 C ATOM 1226 C GLY A 76 -13.620 11.569 0.471 1.00 3.48 C ATOM 1227 O GLY A 76 -13.291 12.286 1.453 1.00 3.87 O ATOM 1228 OXT GLY A 76 -13.493 10.315 0.465 1.00 3.70 O ATOM 0 H GLY A 76 -15.814 11.082 -0.189 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -13.567 12.187 -1.602 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -14.367 13.330 -0.542 1.00 3.37 H new TER 1232 GLY A 76