USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ -174:sc= 0.629 (180deg=-0.021) USER MOD Set 1.2: A 12 THR OG1 : rot 130:sc= 0.568 USER MOD Set 2.1: A 7 THR OG1 : rot 119:sc= 0.184 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : A 1 MET CE :methyl -151:sc= 0 (180deg=-0.921) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.26 (180deg=1.25) USER MOD Single : A 2 GLN : amide:sc= -0.0777 X(o=-0.078,f=-0.064) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 0.545 (180deg=-0.224!) 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 -170:sc= -0.121 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.02) USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= 1.14 (180deg=0.456) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc=-0.00227 (180deg=-0.00227) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= 0.27 K(o=0.27,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.995 K(o=0.99,f=-5.6!) USER MOD Single : A 55 THR OG1 : rot -68:sc= 1.11 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.812 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 106:sc= 0.506 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.855 -4.678 -4.396 1.00 0.78 N ATOM 2 CA MET A 1 12.503 -4.942 -2.983 1.00 0.70 C ATOM 3 C MET A 1 11.115 -5.479 -2.914 1.00 0.62 C ATOM 4 O MET A 1 10.238 -5.045 -3.659 1.00 0.68 O ATOM 5 CB MET A 1 12.536 -3.635 -2.172 1.00 0.75 C ATOM 6 CG MET A 1 11.941 -3.645 -0.763 1.00 0.79 C ATOM 7 SD MET A 1 12.416 -2.263 0.320 1.00 1.10 S ATOM 8 CE MET A 1 11.008 -1.146 0.065 1.00 0.84 C ATOM 0 H1 MET A 1 13.835 -4.335 -4.451 1.00 0.78 H new ATOM 0 H2 MET A 1 12.764 -5.556 -4.946 1.00 0.78 H new ATOM 0 H3 MET A 1 12.214 -3.957 -4.785 1.00 0.78 H new ATOM 0 HA MET A 1 13.221 -5.654 -2.576 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.576 -3.319 -2.092 1.00 0.75 H new ATOM 0 HB3 MET A 1 12.014 -2.872 -2.749 1.00 0.75 H new ATOM 0 HG2 MET A 1 10.855 -3.654 -0.850 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.229 -4.577 -0.276 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.333 -0.114 0.201 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.620 -1.274 -0.946 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.224 -1.378 0.786 1.00 0.84 H new ATOM 20 N GLN A 2 10.777 -6.503 -2.112 1.00 0.59 N ATOM 21 CA GLN A 2 9.482 -7.101 -2.016 1.00 0.56 C ATOM 22 C GLN A 2 8.837 -6.596 -0.772 1.00 0.50 C ATOM 23 O GLN A 2 9.315 -6.927 0.312 1.00 0.60 O ATOM 24 CB GLN A 2 9.666 -8.628 -2.054 1.00 0.71 C ATOM 25 CG GLN A 2 8.349 -9.391 -1.886 1.00 1.15 C ATOM 26 CD GLN A 2 8.684 -10.874 -1.958 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.901 -11.510 -0.927 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.001 -11.332 -3.199 1.00 1.72 N ATOM 0 H GLN A 2 11.454 -6.942 -1.489 1.00 0.59 H new ATOM 0 HA GLN A 2 8.823 -6.839 -2.843 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.125 -8.910 -3.001 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.356 -8.926 -1.264 1.00 0.71 H new ATOM 0 HG2 GLN A 2 7.880 -9.147 -0.933 1.00 1.15 H new ATOM 0 HG3 GLN A 2 7.641 -9.117 -2.668 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.798 -10.762 -4.020 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.442 -12.245 -3.308 1.00 1.72 H new ATOM 37 N ILE A 3 7.704 -5.873 -0.817 1.00 0.44 N ATOM 38 CA ILE A 3 6.972 -5.457 0.339 1.00 0.42 C ATOM 39 C ILE A 3 5.614 -6.070 0.332 1.00 0.40 C ATOM 40 O ILE A 3 5.018 -6.483 -0.662 1.00 0.50 O ATOM 41 CB ILE A 3 6.764 -3.972 0.341 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.082 -3.478 -0.946 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.145 -3.354 0.618 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.724 -2.002 -0.781 1.00 0.72 C ATOM 0 H ILE A 3 7.281 -5.566 -1.693 1.00 0.44 H new ATOM 0 HA ILE A 3 7.550 -5.766 1.210 1.00 0.42 H new ATOM 0 HB ILE A 3 6.065 -3.657 1.116 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.746 -3.612 -1.800 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.185 -4.064 -1.146 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.061 -2.267 0.632 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.512 -3.702 1.583 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.841 -3.654 -0.165 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.240 -1.641 -1.688 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.045 -1.884 0.064 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.631 -1.426 -0.600 1.00 0.72 H new ATOM 56 N PHE A 4 5.093 -6.306 1.549 1.00 0.37 N ATOM 57 CA PHE A 4 3.829 -6.944 1.749 1.00 0.38 C ATOM 58 C PHE A 4 2.723 -5.961 1.924 1.00 0.39 C ATOM 59 O PHE A 4 2.921 -4.865 2.445 1.00 0.60 O ATOM 60 CB PHE A 4 3.866 -7.927 2.932 1.00 0.45 C ATOM 61 CG PHE A 4 5.049 -8.806 2.709 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.152 -9.531 1.546 1.00 1.30 C ATOM 63 CD2 PHE A 4 6.153 -8.723 3.525 1.00 1.16 C ATOM 64 CE1 PHE A 4 6.273 -10.292 1.315 1.00 1.40 C ATOM 65 CE2 PHE A 4 7.305 -9.439 3.302 1.00 1.23 C ATOM 66 CZ PHE A 4 7.348 -10.218 2.170 1.00 0.85 C ATOM 0 H PHE A 4 5.563 -6.047 2.417 1.00 0.37 H new ATOM 0 HA PHE A 4 3.627 -7.512 0.841 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.951 -7.393 3.879 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.949 -8.514 2.979 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.356 -9.503 0.817 1.00 1.30 H new ATOM 0 HD2 PHE A 4 6.113 -8.065 4.380 1.00 1.16 H new ATOM 0 HE1 PHE A 4 6.310 -10.950 0.459 1.00 1.40 H new ATOM 0 HE2 PHE A 4 8.140 -9.392 3.986 1.00 1.23 H new ATOM 0 HZ PHE A 4 8.242 -10.782 1.948 1.00 0.85 H new ATOM 76 N VAL A 5 1.457 -6.289 1.606 1.00 0.35 N ATOM 77 CA VAL A 5 0.365 -5.419 1.915 1.00 0.35 C ATOM 78 C VAL A 5 -0.757 -6.246 2.442 1.00 0.35 C ATOM 79 O VAL A 5 -1.328 -7.050 1.707 1.00 0.46 O ATOM 80 CB VAL A 5 -0.117 -4.595 0.759 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.265 -3.664 1.184 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.011 -3.750 0.144 1.00 0.56 C ATOM 0 H VAL A 5 1.191 -7.154 1.136 1.00 0.35 H new ATOM 0 HA VAL A 5 0.727 -4.704 2.653 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.475 -5.298 0.007 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.595 -3.078 0.326 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.097 -4.260 1.558 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.917 -2.993 1.969 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.617 -3.169 -0.690 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.413 -3.074 0.899 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.804 -4.407 -0.214 1.00 0.56 H new ATOM 92 N LYS A 6 -1.070 -6.023 3.730 1.00 0.36 N ATOM 93 CA LYS A 6 -2.097 -6.659 4.496 1.00 0.39 C ATOM 94 C LYS A 6 -3.416 -5.981 4.352 1.00 0.46 C ATOM 95 O LYS A 6 -3.578 -4.786 4.593 1.00 0.53 O ATOM 96 CB LYS A 6 -1.806 -6.902 5.987 1.00 0.54 C ATOM 97 CG LYS A 6 -1.003 -8.188 6.194 1.00 1.22 C ATOM 98 CD LYS A 6 -0.910 -8.490 7.690 1.00 1.37 C ATOM 99 CE LYS A 6 -0.106 -9.767 7.945 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.773 -10.992 7.451 1.00 2.09 N ATOM 0 H LYS A 6 -0.558 -5.336 4.283 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.126 -7.651 4.045 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.253 -6.056 6.394 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.745 -6.964 6.538 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.482 -9.017 5.673 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.005 -8.079 5.770 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.440 -7.652 8.205 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.912 -8.598 8.105 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.869 -9.675 7.466 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.073 -9.867 9.016 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.227 -11.827 7.744 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.733 -11.049 7.848 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.829 -10.962 6.413 1.00 2.09 H new ATOM 114 N THR A 7 -4.419 -6.757 3.902 1.00 0.58 N ATOM 115 CA THR A 7 -5.722 -6.217 3.666 1.00 0.78 C ATOM 116 C THR A 7 -6.526 -6.092 4.913 1.00 0.94 C ATOM 117 O THR A 7 -6.095 -6.548 5.970 1.00 0.99 O ATOM 118 CB THR A 7 -6.501 -6.807 2.528 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.027 -8.093 2.819 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.594 -6.939 1.293 1.00 0.92 C ATOM 0 H THR A 7 -4.328 -7.753 3.703 1.00 0.58 H new ATOM 0 HA THR A 7 -5.505 -5.210 3.309 1.00 0.78 H new ATOM 0 HB THR A 7 -7.336 -6.130 2.346 1.00 0.90 H new ATOM 0 HG1 THR A 7 -8.005 -8.065 2.772 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.163 -7.368 0.468 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.225 -5.954 1.006 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.751 -7.588 1.529 1.00 0.92 H new ATOM 128 N LEU A 8 -7.723 -5.492 4.782 1.00 1.17 N ATOM 129 CA LEU A 8 -8.587 -5.533 5.922 1.00 1.39 C ATOM 130 C LEU A 8 -9.340 -6.784 6.218 1.00 1.44 C ATOM 131 O LEU A 8 -9.686 -7.059 7.366 1.00 1.60 O ATOM 132 CB LEU A 8 -9.614 -4.397 5.785 1.00 1.66 C ATOM 133 CG LEU A 8 -10.422 -4.005 7.033 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.517 -3.404 8.121 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.525 -3.030 6.588 1.00 2.43 C ATOM 0 H LEU A 8 -8.075 -5.012 3.954 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.894 -5.445 6.758 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.087 -3.509 5.435 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.320 -4.677 5.003 1.00 1.66 H new ATOM 0 HG LEU A 8 -10.877 -4.887 7.484 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.120 -3.138 8.989 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -8.764 -4.136 8.413 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.025 -2.512 7.733 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.118 -2.732 7.453 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.071 -2.147 6.138 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.170 -3.519 5.857 1.00 2.43 H new ATOM 147 N THR A 9 -9.647 -7.660 5.245 1.00 1.41 N ATOM 148 CA THR A 9 -10.389 -8.878 5.339 1.00 1.51 C ATOM 149 C THR A 9 -9.597 -9.968 5.976 1.00 1.37 C ATOM 150 O THR A 9 -10.007 -10.601 6.947 1.00 1.62 O ATOM 151 CB THR A 9 -10.906 -9.438 4.047 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.917 -9.318 3.034 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.107 -8.578 3.620 1.00 2.08 C ATOM 0 H THR A 9 -9.339 -7.493 4.287 1.00 1.41 H new ATOM 0 HA THR A 9 -11.243 -8.572 5.943 1.00 1.51 H new ATOM 0 HB THR A 9 -11.174 -10.486 4.180 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.262 -9.687 2.194 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.510 -8.957 2.681 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.878 -8.621 4.390 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.786 -7.545 3.486 1.00 2.08 H new ATOM 161 N GLY A 10 -8.337 -10.138 5.536 1.00 1.18 N ATOM 162 CA GLY A 10 -7.359 -11.033 6.073 1.00 1.22 C ATOM 163 C GLY A 10 -6.398 -11.437 5.008 1.00 0.99 C ATOM 164 O GLY A 10 -5.550 -12.296 5.248 1.00 1.31 O ATOM 0 H GLY A 10 -7.976 -9.608 4.743 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.825 -10.552 6.893 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.849 -11.915 6.486 1.00 1.22 H new ATOM 168 N LYS A 11 -6.427 -10.874 3.788 1.00 0.73 N ATOM 169 CA LYS A 11 -5.485 -11.234 2.774 1.00 0.60 C ATOM 170 C LYS A 11 -4.187 -10.505 2.861 1.00 0.51 C ATOM 171 O LYS A 11 -4.061 -9.326 3.186 1.00 0.63 O ATOM 172 CB LYS A 11 -6.103 -11.047 1.378 1.00 0.75 C ATOM 173 CG LYS A 11 -5.260 -11.578 0.217 1.00 0.87 C ATOM 174 CD LYS A 11 -5.923 -11.760 -1.149 1.00 1.04 C ATOM 175 CE LYS A 11 -5.031 -12.369 -2.233 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.731 -12.775 -3.472 1.00 1.40 N ATOM 0 H LYS A 11 -7.105 -10.167 3.502 1.00 0.73 H new ATOM 0 HA LYS A 11 -5.253 -12.285 2.945 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -7.073 -11.543 1.358 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.285 -9.984 1.218 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.414 -10.903 0.087 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.853 -12.543 0.518 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.802 -12.393 -1.027 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.276 -10.789 -1.495 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.257 -11.646 -2.492 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.526 -13.241 -1.818 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.057 -12.786 -4.264 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.134 -13.726 -3.348 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.495 -12.099 -3.676 1.00 1.40 H new ATOM 190 N THR A 12 -3.122 -11.245 2.509 1.00 0.49 N ATOM 191 CA THR A 12 -1.795 -10.781 2.245 1.00 0.48 C ATOM 192 C THR A 12 -1.519 -10.723 0.782 1.00 0.52 C ATOM 193 O THR A 12 -1.880 -11.645 0.052 1.00 0.72 O ATOM 194 CB THR A 12 -0.746 -11.407 3.116 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.077 -11.279 4.491 1.00 0.77 O ATOM 196 CG2 THR A 12 0.494 -10.539 2.846 1.00 0.78 C ATOM 0 H THR A 12 -3.197 -12.256 2.400 1.00 0.49 H new ATOM 0 HA THR A 12 -1.731 -9.741 2.566 1.00 0.48 H new ATOM 0 HB THR A 12 -0.621 -12.469 2.906 1.00 0.64 H new ATOM 0 HG1 THR A 12 -1.002 -12.153 4.928 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.332 -10.909 3.436 1.00 0.78 H new ATOM 0 HG22 THR A 12 0.747 -10.586 1.787 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.282 -9.506 3.123 1.00 0.78 H new ATOM 204 N ILE A 13 -0.869 -9.707 0.188 1.00 0.48 N ATOM 205 CA ILE A 13 -0.455 -9.472 -1.160 1.00 0.55 C ATOM 206 C ILE A 13 1.007 -9.194 -1.212 1.00 0.51 C ATOM 207 O ILE A 13 1.488 -8.428 -0.378 1.00 0.56 O ATOM 208 CB ILE A 13 -1.118 -8.333 -1.876 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.628 -8.316 -1.586 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.846 -8.343 -3.390 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.384 -7.074 -2.054 1.00 1.55 C ATOM 0 H ILE A 13 -0.588 -8.914 0.765 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.749 -10.391 -1.666 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.676 -7.415 -1.489 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -3.078 -9.190 -2.056 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.773 -8.422 -0.511 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.350 -7.496 -3.856 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.227 -8.269 -3.567 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.222 -9.271 -3.821 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.439 -7.172 -1.797 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.972 -6.191 -1.565 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.282 -6.971 -3.134 1.00 1.55 H new ATOM 223 N THR A 14 1.705 -9.917 -2.106 1.00 0.55 N ATOM 224 CA THR A 14 3.105 -9.684 -2.280 1.00 0.54 C ATOM 225 C THR A 14 3.328 -8.859 -3.502 1.00 0.55 C ATOM 226 O THR A 14 2.974 -9.303 -4.593 1.00 0.72 O ATOM 227 CB THR A 14 3.850 -10.986 -2.289 1.00 0.67 C ATOM 228 OG1 THR A 14 3.556 -11.700 -1.098 1.00 1.08 O ATOM 229 CG2 THR A 14 5.371 -10.773 -2.207 1.00 1.03 C ATOM 0 H THR A 14 1.310 -10.648 -2.697 1.00 0.55 H new ATOM 0 HA THR A 14 3.502 -9.114 -1.440 1.00 0.54 H new ATOM 0 HB THR A 14 3.559 -11.499 -3.205 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.039 -12.553 -1.100 1.00 1.08 H new ATOM 0 HG21 THR A 14 5.875 -11.740 -2.216 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.702 -10.183 -3.062 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.615 -10.245 -1.285 1.00 1.03 H new ATOM 237 N LEU A 15 3.897 -7.656 -3.307 1.00 0.50 N ATOM 238 CA LEU A 15 4.323 -6.744 -4.322 1.00 0.55 C ATOM 239 C LEU A 15 5.808 -6.629 -4.353 1.00 0.52 C ATOM 240 O LEU A 15 6.461 -6.376 -3.342 1.00 0.58 O ATOM 241 CB LEU A 15 3.767 -5.311 -4.281 1.00 0.69 C ATOM 242 CG LEU A 15 2.237 -5.166 -4.340 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.513 -6.084 -5.338 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.716 -5.253 -2.895 1.00 1.55 C ATOM 0 H LEU A 15 4.072 -7.295 -2.369 1.00 0.50 H new ATOM 0 HA LEU A 15 3.902 -7.207 -5.215 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.120 -4.834 -3.366 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.195 -4.755 -5.115 1.00 0.69 H new ATOM 0 HG LEU A 15 1.996 -4.193 -4.767 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.440 -5.895 -5.294 1.00 1.38 H new ATOM 0 HD12 LEU A 15 1.876 -5.883 -6.346 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.709 -7.125 -5.083 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.630 -5.154 -2.893 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.994 -6.216 -2.466 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.154 -4.451 -2.301 1.00 1.55 H new ATOM 256 N GLU A 16 6.419 -6.604 -5.551 1.00 0.59 N ATOM 257 CA GLU A 16 7.759 -6.183 -5.824 1.00 0.63 C ATOM 258 C GLU A 16 7.687 -4.724 -6.121 1.00 0.65 C ATOM 259 O GLU A 16 6.758 -4.315 -6.816 1.00 0.81 O ATOM 260 CB GLU A 16 8.286 -6.928 -7.062 1.00 0.76 C ATOM 261 CG GLU A 16 9.763 -6.588 -7.268 1.00 1.41 C ATOM 262 CD GLU A 16 10.540 -7.647 -8.038 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.404 -7.738 -9.288 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.293 -8.445 -7.419 1.00 1.92 O ATOM 0 H GLU A 16 5.935 -6.903 -6.397 1.00 0.59 H new ATOM 0 HA GLU A 16 8.422 -6.390 -4.984 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.163 -8.003 -6.933 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.710 -6.645 -7.943 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.836 -5.640 -7.800 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.232 -6.444 -6.294 1.00 1.41 H new ATOM 271 N VAL A 17 8.577 -3.889 -5.554 1.00 0.61 N ATOM 272 CA VAL A 17 8.710 -2.473 -5.694 1.00 0.63 C ATOM 273 C VAL A 17 10.139 -2.050 -5.705 1.00 0.65 C ATOM 274 O VAL A 17 11.033 -2.726 -5.199 1.00 0.76 O ATOM 275 CB VAL A 17 8.106 -1.687 -4.567 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.573 -1.801 -4.507 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.646 -2.150 -3.204 1.00 0.92 C ATOM 0 H VAL A 17 9.288 -4.257 -4.921 1.00 0.61 H new ATOM 0 HA VAL A 17 8.194 -2.269 -6.632 1.00 0.63 H new ATOM 0 HB VAL A 17 8.385 -0.653 -4.768 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.197 -1.211 -3.671 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.144 -1.428 -5.437 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.291 -2.845 -4.370 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.187 -1.559 -2.411 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.407 -3.203 -3.057 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.727 -2.016 -3.177 1.00 0.92 H new ATOM 287 N GLU A 18 10.476 -0.839 -6.183 1.00 0.68 N ATOM 288 CA GLU A 18 11.711 -0.133 -6.031 1.00 0.74 C ATOM 289 C GLU A 18 11.550 0.843 -4.917 1.00 0.71 C ATOM 290 O GLU A 18 10.422 1.312 -4.779 1.00 0.74 O ATOM 291 CB GLU A 18 12.180 0.681 -7.248 1.00 0.88 C ATOM 292 CG GLU A 18 12.380 -0.299 -8.405 1.00 1.16 C ATOM 293 CD GLU A 18 12.999 0.461 -9.569 1.00 1.71 C ATOM 294 OE1 GLU A 18 12.233 1.026 -10.393 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.253 0.474 -9.693 1.00 2.35 O ATOM 0 H GLU A 18 9.810 -0.299 -6.735 1.00 0.68 H new ATOM 0 HA GLU A 18 12.458 -0.908 -5.863 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.442 1.439 -7.510 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.109 1.205 -7.024 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.028 -1.121 -8.100 1.00 1.16 H new ATOM 0 HG3 GLU A 18 11.427 -0.738 -8.701 1.00 1.16 H new ATOM 302 N PRO A 19 12.455 1.274 -4.089 1.00 0.74 N ATOM 303 CA PRO A 19 12.202 2.208 -3.030 1.00 0.74 C ATOM 304 C PRO A 19 11.911 3.576 -3.546 1.00 0.70 C ATOM 305 O PRO A 19 11.374 4.408 -2.816 1.00 0.74 O ATOM 306 CB PRO A 19 13.480 2.222 -2.195 1.00 0.86 C ATOM 307 CG PRO A 19 13.973 0.768 -2.244 1.00 0.95 C ATOM 308 CD PRO A 19 13.604 0.469 -3.706 1.00 0.82 C ATOM 0 HA PRO A 19 11.325 1.912 -2.454 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.219 2.908 -2.608 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.285 2.543 -1.172 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.041 0.674 -2.047 1.00 0.95 H new ATOM 0 HG3 PRO A 19 13.459 0.120 -1.534 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.449 0.689 -4.358 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.376 -0.590 -3.826 1.00 0.82 H new ATOM 316 N SER A 20 12.261 3.867 -4.812 1.00 0.70 N ATOM 317 CA SER A 20 11.987 5.090 -5.501 1.00 0.74 C ATOM 318 C SER A 20 10.582 5.182 -5.986 1.00 0.71 C ATOM 319 O SER A 20 10.118 6.248 -6.386 1.00 0.80 O ATOM 320 CB SER A 20 13.062 5.144 -6.599 1.00 0.89 C ATOM 321 OG SER A 20 12.935 4.102 -7.556 1.00 1.45 O ATOM 0 H SER A 20 12.770 3.201 -5.393 1.00 0.70 H new ATOM 0 HA SER A 20 12.048 5.966 -4.856 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.004 6.106 -7.108 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.048 5.087 -6.137 1.00 0.89 H new ATOM 0 HG SER A 20 13.642 4.188 -8.229 1.00 1.45 H new ATOM 327 N ASP A 21 9.921 4.011 -6.008 1.00 0.70 N ATOM 328 CA ASP A 21 8.554 3.951 -6.426 1.00 0.73 C ATOM 329 C ASP A 21 7.624 4.645 -5.493 1.00 0.64 C ATOM 330 O ASP A 21 7.785 4.527 -4.280 1.00 0.66 O ATOM 331 CB ASP A 21 8.110 2.525 -6.794 1.00 0.87 C ATOM 332 CG ASP A 21 8.638 2.054 -8.141 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.562 2.899 -9.071 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.982 0.853 -8.313 1.00 1.50 O ATOM 0 H ASP A 21 10.327 3.115 -5.740 1.00 0.70 H new ATOM 0 HA ASP A 21 8.496 4.522 -7.352 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.448 1.836 -6.019 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.021 2.483 -6.805 1.00 0.87 H new ATOM 339 N THR A 22 6.698 5.455 -6.039 1.00 0.63 N ATOM 340 CA THR A 22 5.663 6.108 -5.298 1.00 0.58 C ATOM 341 C THR A 22 4.610 5.210 -4.746 1.00 0.53 C ATOM 342 O THR A 22 4.488 4.040 -5.104 1.00 0.58 O ATOM 343 CB THR A 22 5.012 7.161 -6.144 1.00 0.63 C ATOM 344 OG1 THR A 22 4.544 6.627 -7.374 1.00 0.70 O ATOM 345 CG2 THR A 22 6.023 8.272 -6.474 1.00 0.75 C ATOM 0 H THR A 22 6.670 5.663 -7.037 1.00 0.63 H new ATOM 0 HA THR A 22 6.169 6.541 -4.435 1.00 0.58 H new ATOM 0 HB THR A 22 4.170 7.554 -5.574 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.270 7.359 -7.965 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.541 9.032 -7.089 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.380 8.726 -5.549 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.866 7.847 -7.018 1.00 0.75 H new ATOM 353 N ILE A 23 3.799 5.812 -3.858 1.00 0.51 N ATOM 354 CA ILE A 23 2.696 5.093 -3.299 1.00 0.48 C ATOM 355 C ILE A 23 1.563 4.965 -4.259 1.00 0.48 C ATOM 356 O ILE A 23 0.826 3.982 -4.304 1.00 0.51 O ATOM 357 CB ILE A 23 2.374 5.590 -1.921 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.532 5.363 -0.935 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.037 5.135 -1.315 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.717 3.930 -0.438 1.00 0.73 C ATOM 0 H ILE A 23 3.902 6.773 -3.533 1.00 0.51 H new ATOM 0 HA ILE A 23 2.979 4.053 -3.138 1.00 0.48 H new ATOM 0 HB ILE A 23 2.239 6.660 -2.082 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.458 5.683 -1.413 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.379 6.009 -0.071 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.925 5.562 -0.319 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.217 5.472 -1.949 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.020 4.047 -1.247 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.561 3.890 0.250 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.813 3.604 0.077 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.909 3.273 -1.286 1.00 0.73 H new ATOM 372 N GLU A 24 1.388 5.933 -5.177 1.00 0.50 N ATOM 373 CA GLU A 24 0.690 5.892 -6.424 1.00 0.53 C ATOM 374 C GLU A 24 1.046 4.681 -7.215 1.00 0.50 C ATOM 375 O GLU A 24 0.151 3.981 -7.684 1.00 0.55 O ATOM 376 CB GLU A 24 0.992 7.139 -7.273 1.00 0.64 C ATOM 377 CG GLU A 24 -0.005 7.182 -8.433 1.00 0.95 C ATOM 378 CD GLU A 24 0.218 8.443 -9.255 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.162 8.408 -10.090 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.652 9.352 -9.199 1.00 1.56 O ATOM 0 H GLU A 24 1.788 6.858 -5.020 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.372 5.862 -6.182 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.908 8.041 -6.667 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.014 7.103 -7.651 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.116 6.300 -9.062 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.025 7.162 -8.049 1.00 0.95 H new ATOM 387 N ASN A 25 2.353 4.398 -7.365 1.00 0.51 N ATOM 388 CA ASN A 25 2.878 3.244 -8.027 1.00 0.52 C ATOM 389 C ASN A 25 2.543 1.944 -7.380 1.00 0.47 C ATOM 390 O ASN A 25 2.247 0.954 -8.047 1.00 0.53 O ATOM 391 CB ASN A 25 4.409 3.338 -8.132 1.00 0.64 C ATOM 392 CG ASN A 25 5.016 2.555 -9.288 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.873 1.339 -9.414 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.705 3.270 -10.219 1.00 1.57 N ATOM 0 H ASN A 25 3.084 5.010 -7.003 1.00 0.51 H new ATOM 0 HA ASN A 25 2.400 3.249 -9.007 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.689 4.386 -8.234 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.846 2.981 -7.200 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.108 2.798 -11.029 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.819 4.277 -10.107 1.00 1.57 H new ATOM 401 N VAL A 26 2.508 1.860 -6.038 1.00 0.45 N ATOM 402 CA VAL A 26 2.072 0.703 -5.320 1.00 0.44 C ATOM 403 C VAL A 26 0.672 0.256 -5.565 1.00 0.40 C ATOM 404 O VAL A 26 0.395 -0.929 -5.750 1.00 0.44 O ATOM 405 CB VAL A 26 2.321 0.949 -3.861 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.557 -0.045 -2.971 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.841 0.888 -3.636 1.00 0.62 C ATOM 0 H VAL A 26 2.794 2.627 -5.430 1.00 0.45 H new ATOM 0 HA VAL A 26 2.656 -0.135 -5.701 1.00 0.44 H new ATOM 0 HB VAL A 26 1.945 1.931 -3.575 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.766 0.170 -1.923 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.487 0.051 -3.154 1.00 0.60 H new ATOM 0 HG13 VAL A 26 1.876 -1.061 -3.204 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.060 1.063 -2.583 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.213 -0.095 -3.926 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.329 1.653 -4.240 1.00 0.62 H new ATOM 417 N LYS A 27 -0.226 1.256 -5.606 1.00 0.40 N ATOM 418 CA LYS A 27 -1.632 1.121 -5.829 1.00 0.41 C ATOM 419 C LYS A 27 -2.005 0.759 -7.226 1.00 0.38 C ATOM 420 O LYS A 27 -2.862 -0.086 -7.478 1.00 0.42 O ATOM 421 CB LYS A 27 -2.401 2.382 -5.399 1.00 0.51 C ATOM 422 CG LYS A 27 -2.337 2.812 -3.932 1.00 0.76 C ATOM 423 CD LYS A 27 -3.374 3.899 -3.644 1.00 0.82 C ATOM 424 CE LYS A 27 -3.104 4.608 -2.315 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.798 5.899 -2.106 1.00 1.11 N ATOM 0 H LYS A 27 0.052 2.229 -5.474 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.924 0.280 -5.200 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.039 3.213 -6.004 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.450 2.234 -5.656 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.515 1.952 -3.287 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.339 3.183 -3.699 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.368 4.630 -4.453 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.369 3.455 -3.623 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.384 3.934 -1.505 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.031 4.779 -2.231 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.358 6.405 -1.311 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.723 6.477 -2.967 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.801 5.724 -1.893 1.00 1.11 H new ATOM 439 N ALA A 28 -1.260 1.227 -8.244 1.00 0.39 N ATOM 440 CA ALA A 28 -1.419 0.855 -9.615 1.00 0.39 C ATOM 441 C ALA A 28 -0.868 -0.511 -9.839 1.00 0.36 C ATOM 442 O ALA A 28 -1.287 -1.247 -10.731 1.00 0.42 O ATOM 443 CB ALA A 28 -0.794 1.931 -10.518 1.00 0.51 C ATOM 0 H ALA A 28 -0.507 1.900 -8.102 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.475 0.804 -9.879 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.916 1.645 -11.563 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.289 2.886 -10.343 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.268 2.026 -10.290 1.00 0.51 H new ATOM 449 N LYS A 29 -0.029 -0.973 -8.895 1.00 0.39 N ATOM 450 CA LYS A 29 0.503 -2.300 -8.862 1.00 0.43 C ATOM 451 C LYS A 29 -0.342 -3.264 -8.102 1.00 0.44 C ATOM 452 O LYS A 29 -0.267 -4.486 -8.221 1.00 0.54 O ATOM 453 CB LYS A 29 1.915 -2.209 -8.258 1.00 0.54 C ATOM 454 CG LYS A 29 2.779 -3.471 -8.229 1.00 0.65 C ATOM 455 CD LYS A 29 4.279 -3.274 -8.001 1.00 1.08 C ATOM 456 CE LYS A 29 4.984 -2.831 -9.284 1.00 1.24 C ATOM 457 NZ LYS A 29 6.402 -2.541 -8.975 1.00 1.44 N ATOM 0 H LYS A 29 0.293 -0.395 -8.119 1.00 0.39 H new ATOM 0 HA LYS A 29 0.528 -2.693 -9.878 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.463 -1.445 -8.809 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.815 -1.852 -7.233 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.399 -4.125 -7.444 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.645 -3.996 -9.175 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.435 -2.528 -7.222 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.720 -4.205 -7.644 1.00 1.08 H new ATOM 0 HE2 LYS A 29 4.915 -3.612 -10.041 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.499 -1.946 -9.695 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.989 -2.752 -9.807 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.504 -1.537 -8.725 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.711 -3.130 -8.175 1.00 1.44 H new ATOM 471 N ILE A 30 -1.314 -2.722 -7.347 1.00 0.41 N ATOM 472 CA ILE A 30 -2.287 -3.609 -6.789 1.00 0.44 C ATOM 473 C ILE A 30 -3.420 -3.810 -7.736 1.00 0.45 C ATOM 474 O ILE A 30 -4.060 -4.859 -7.779 1.00 0.56 O ATOM 475 CB ILE A 30 -2.725 -3.197 -5.415 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.607 -3.566 -4.425 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.050 -3.659 -4.783 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.306 -2.595 -3.284 1.00 1.32 C ATOM 0 H ILE A 30 -1.426 -1.731 -7.131 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.812 -4.580 -6.649 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.930 -2.141 -5.594 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.857 -4.531 -3.984 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.689 -3.705 -4.996 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.146 -3.231 -3.785 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.884 -3.327 -5.402 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.060 -4.747 -4.714 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.496 -2.992 -2.672 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.010 -1.630 -3.696 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.197 -2.469 -2.669 1.00 1.32 H new ATOM 490 N GLN A 31 -3.613 -2.837 -8.644 1.00 0.41 N ATOM 491 CA GLN A 31 -4.523 -2.876 -9.747 1.00 0.48 C ATOM 492 C GLN A 31 -4.021 -3.862 -10.745 1.00 0.52 C ATOM 493 O GLN A 31 -4.785 -4.751 -11.119 1.00 0.66 O ATOM 494 CB GLN A 31 -4.684 -1.464 -10.335 1.00 0.52 C ATOM 495 CG GLN A 31 -5.937 -1.371 -11.208 1.00 0.70 C ATOM 496 CD GLN A 31 -6.304 -0.122 -11.997 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.382 0.439 -11.809 1.00 1.70 O ATOM 498 NE2 GLN A 31 -5.489 0.328 -12.988 1.00 1.43 N ATOM 0 H GLN A 31 -3.095 -1.959 -8.603 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.513 -3.199 -9.427 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.745 -0.735 -9.527 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.805 -1.211 -10.927 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.873 -2.186 -11.929 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.785 -1.587 -10.558 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.592 -0.127 -13.156 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -5.775 1.120 -13.563 1.00 1.43 H new ATOM 507 N ASP A 32 -2.754 -3.873 -11.196 1.00 0.50 N ATOM 508 CA ASP A 32 -2.251 -5.026 -11.875 1.00 0.60 C ATOM 509 C ASP A 32 -2.386 -6.327 -11.161 1.00 0.65 C ATOM 510 O ASP A 32 -2.988 -7.271 -11.670 1.00 0.81 O ATOM 511 CB ASP A 32 -0.755 -4.675 -11.935 1.00 0.67 C ATOM 512 CG ASP A 32 -0.024 -5.612 -12.887 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.443 -5.644 -14.075 1.00 1.55 O ATOM 514 OD2 ASP A 32 1.045 -6.167 -12.516 1.00 1.51 O ATOM 0 H ASP A 32 -2.092 -3.104 -11.094 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.791 -5.191 -12.807 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.631 -3.643 -12.264 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.319 -4.747 -10.939 1.00 0.67 H new ATOM 519 N LYS A 33 -1.760 -6.540 -9.989 1.00 0.62 N ATOM 520 CA LYS A 33 -1.677 -7.804 -9.324 1.00 0.73 C ATOM 521 C LYS A 33 -2.995 -8.353 -8.900 1.00 0.69 C ATOM 522 O LYS A 33 -3.436 -9.413 -9.342 1.00 0.83 O ATOM 523 CB LYS A 33 -0.734 -7.748 -8.111 1.00 0.85 C ATOM 524 CG LYS A 33 -0.570 -9.080 -7.376 1.00 1.31 C ATOM 525 CD LYS A 33 0.867 -9.576 -7.198 1.00 1.71 C ATOM 526 CE LYS A 33 0.990 -10.952 -6.540 1.00 2.26 C ATOM 527 NZ LYS A 33 0.132 -12.046 -7.048 1.00 2.62 N ATOM 0 H LYS A 33 -1.288 -5.793 -9.480 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.271 -8.483 -10.074 1.00 0.73 H new ATOM 0 HB2 LYS A 33 0.246 -7.407 -8.444 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.109 -7.003 -7.409 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.026 -8.987 -6.390 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.132 -9.842 -7.916 1.00 1.31 H new ATOM 0 HD2 LYS A 33 1.349 -9.611 -8.175 1.00 1.71 H new ATOM 0 HD3 LYS A 33 1.416 -8.851 -6.598 1.00 1.71 H new ATOM 0 HE2 LYS A 33 2.028 -11.273 -6.629 1.00 2.26 H new ATOM 0 HE3 LYS A 33 0.784 -10.833 -5.476 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 0.323 -12.915 -6.510 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -0.868 -11.783 -6.937 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.337 -12.209 -8.054 1.00 2.62 H new ATOM 541 N GLU A 34 -3.739 -7.677 -8.007 1.00 0.63 N ATOM 542 CA GLU A 34 -4.917 -8.229 -7.414 1.00 0.67 C ATOM 543 C GLU A 34 -6.171 -7.822 -8.109 1.00 0.69 C ATOM 544 O GLU A 34 -6.874 -8.693 -8.619 1.00 0.95 O ATOM 545 CB GLU A 34 -4.886 -7.814 -5.934 1.00 0.73 C ATOM 546 CG GLU A 34 -6.017 -8.407 -5.092 1.00 0.83 C ATOM 547 CD GLU A 34 -5.956 -9.919 -4.929 1.00 0.95 C ATOM 548 OE1 GLU A 34 -4.868 -10.536 -5.082 1.00 1.37 O ATOM 549 OE2 GLU A 34 -7.040 -10.533 -4.741 1.00 1.48 O ATOM 0 H GLU A 34 -3.519 -6.732 -7.692 1.00 0.63 H new ATOM 0 HA GLU A 34 -4.920 -9.315 -7.509 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -3.931 -8.116 -5.504 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -4.934 -6.727 -5.872 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -5.997 -7.947 -4.104 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -6.971 -8.142 -5.549 1.00 0.83 H new ATOM 556 N GLY A 35 -6.386 -6.499 -8.218 1.00 0.63 N ATOM 557 CA GLY A 35 -7.437 -5.954 -9.021 1.00 0.68 C ATOM 558 C GLY A 35 -8.126 -4.777 -8.421 1.00 0.76 C ATOM 559 O GLY A 35 -9.125 -4.299 -8.956 1.00 1.12 O ATOM 0 H GLY A 35 -5.821 -5.796 -7.741 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.025 -5.664 -9.988 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.175 -6.734 -9.209 1.00 0.68 H new ATOM 563 N ILE A 36 -7.662 -4.255 -7.271 1.00 0.70 N ATOM 564 CA ILE A 36 -8.379 -3.201 -6.623 1.00 0.76 C ATOM 565 C ILE A 36 -8.145 -1.884 -7.277 1.00 0.71 C ATOM 566 O ILE A 36 -6.965 -1.636 -7.522 1.00 0.73 O ATOM 567 CB ILE A 36 -8.098 -3.073 -5.155 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.021 -4.412 -4.405 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.288 -2.345 -4.506 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.202 -4.305 -3.119 1.00 1.16 C ATOM 0 H ILE A 36 -6.809 -4.555 -6.798 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.425 -3.489 -6.730 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.137 -2.563 -5.083 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.029 -4.751 -4.165 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.577 -5.166 -5.055 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.110 -2.238 -3.436 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.400 -1.358 -4.955 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.199 -2.922 -4.666 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.175 -5.275 -2.623 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.186 -3.992 -3.360 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.660 -3.571 -2.456 1.00 1.16 H new ATOM 582 N PRO A 37 -9.063 -1.006 -7.552 1.00 0.75 N ATOM 583 CA PRO A 37 -8.722 0.214 -8.224 1.00 0.79 C ATOM 584 C PRO A 37 -8.083 1.224 -7.333 1.00 0.75 C ATOM 585 O PRO A 37 -8.390 1.149 -6.144 1.00 0.75 O ATOM 586 CB PRO A 37 -10.003 0.706 -8.896 1.00 0.95 C ATOM 587 CG PRO A 37 -11.118 -0.302 -8.576 1.00 1.02 C ATOM 588 CD PRO A 37 -10.501 -1.229 -7.517 1.00 0.85 C ATOM 0 HA PRO A 37 -7.949 0.036 -8.972 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.269 1.698 -8.531 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.861 0.790 -9.974 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.009 0.198 -8.196 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.419 -0.858 -9.464 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.903 -1.008 -6.528 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.736 -2.272 -7.731 1.00 0.85 H new ATOM 596 N PRO A 38 -7.258 2.171 -7.669 1.00 0.81 N ATOM 597 CA PRO A 38 -6.564 2.998 -6.725 1.00 0.85 C ATOM 598 C PRO A 38 -7.425 3.879 -5.885 1.00 0.89 C ATOM 599 O PRO A 38 -7.102 4.083 -4.716 1.00 0.99 O ATOM 600 CB PRO A 38 -5.642 3.815 -7.627 1.00 1.01 C ATOM 601 CG PRO A 38 -5.353 2.929 -8.848 1.00 1.25 C ATOM 602 CD PRO A 38 -6.717 2.243 -9.018 1.00 0.98 C ATOM 0 HA PRO A 38 -6.061 2.394 -5.971 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.116 4.750 -7.926 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.720 4.077 -7.108 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.068 3.510 -9.725 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.549 2.216 -8.663 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.370 2.815 -9.678 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.611 1.251 -9.457 1.00 0.98 H new ATOM 610 N ASP A 39 -8.645 4.271 -6.294 1.00 0.96 N ATOM 611 CA ASP A 39 -9.518 5.006 -5.432 1.00 1.11 C ATOM 612 C ASP A 39 -9.946 4.343 -4.168 1.00 1.00 C ATOM 613 O ASP A 39 -9.954 4.877 -3.060 1.00 1.14 O ATOM 614 CB ASP A 39 -10.793 5.190 -6.273 1.00 1.39 C ATOM 615 CG ASP A 39 -10.600 5.951 -7.577 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.348 7.184 -7.642 1.00 2.25 O ATOM 617 OD2 ASP A 39 -10.851 5.238 -8.585 1.00 2.23 O ATOM 0 H ASP A 39 -9.027 4.079 -7.220 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.980 5.898 -5.112 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.204 4.207 -6.501 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.535 5.714 -5.671 1.00 1.39 H new ATOM 622 N GLN A 40 -10.099 3.008 -4.212 1.00 0.87 N ATOM 623 CA GLN A 40 -10.540 2.255 -3.079 1.00 0.84 C ATOM 624 C GLN A 40 -9.534 2.001 -2.010 1.00 0.67 C ATOM 625 O GLN A 40 -9.859 1.859 -0.832 1.00 0.80 O ATOM 626 CB GLN A 40 -11.130 0.944 -3.623 1.00 0.95 C ATOM 627 CG GLN A 40 -12.395 1.225 -4.436 1.00 1.32 C ATOM 628 CD GLN A 40 -13.083 -0.039 -4.931 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.846 -1.180 -4.537 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.068 0.242 -5.825 1.00 2.02 N ATOM 0 H GLN A 40 -9.915 2.444 -5.042 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.275 2.864 -2.554 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.394 0.438 -4.247 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.363 0.272 -2.797 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.094 1.795 -3.823 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.138 1.850 -5.291 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.227 1.205 -6.122 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.648 -0.510 -6.198 1.00 2.02 H new ATOM 639 N GLN A 41 -8.244 2.024 -2.390 1.00 0.56 N ATOM 640 CA GLN A 41 -7.104 1.669 -1.605 1.00 0.51 C ATOM 641 C GLN A 41 -6.714 2.796 -0.711 1.00 0.49 C ATOM 642 O GLN A 41 -6.094 3.760 -1.156 1.00 0.65 O ATOM 643 CB GLN A 41 -5.875 1.289 -2.449 1.00 0.67 C ATOM 644 CG GLN A 41 -6.188 0.189 -3.468 1.00 0.69 C ATOM 645 CD GLN A 41 -4.952 -0.170 -4.280 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.827 -0.310 -3.804 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.111 -0.425 -5.606 1.00 0.61 N ATOM 0 H GLN A 41 -7.978 2.317 -3.330 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.407 0.794 -1.030 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.509 2.172 -2.972 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.074 0.954 -1.790 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.557 -0.696 -2.951 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.982 0.522 -4.136 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.029 -0.321 -6.039 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.313 -0.721 -6.168 1.00 0.61 H new ATOM 656 N ARG A 42 -6.926 2.737 0.616 1.00 0.47 N ATOM 657 CA ARG A 42 -6.376 3.665 1.556 1.00 0.55 C ATOM 658 C ARG A 42 -5.243 2.969 2.227 1.00 0.46 C ATOM 659 O ARG A 42 -5.460 1.978 2.923 1.00 0.52 O ATOM 660 CB ARG A 42 -7.506 4.066 2.518 1.00 0.73 C ATOM 661 CG ARG A 42 -7.104 4.977 3.680 1.00 1.04 C ATOM 662 CD ARG A 42 -8.386 5.230 4.478 1.00 1.28 C ATOM 663 NE ARG A 42 -8.008 6.028 5.678 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.551 5.838 6.916 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.572 4.953 7.109 1.00 2.34 N ATOM 666 NH2 ARG A 42 -7.998 6.298 8.077 1.00 2.78 N ATOM 0 H ARG A 42 -7.502 2.016 1.051 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.992 4.581 1.107 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.286 4.566 1.943 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.946 3.158 2.930 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.344 4.504 4.302 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -6.680 5.912 3.314 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.116 5.768 3.873 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.848 4.288 4.773 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.304 6.758 5.568 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.941 4.421 6.321 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -9.966 4.824 8.041 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -7.123 6.821 8.053 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -8.460 6.118 8.968 1.00 2.78 H new ATOM 680 N LEU A 43 -4.024 3.524 2.097 1.00 0.46 N ATOM 681 CA LEU A 43 -2.931 2.843 2.718 1.00 0.42 C ATOM 682 C LEU A 43 -2.374 3.358 4.001 1.00 0.43 C ATOM 683 O LEU A 43 -2.000 4.527 4.091 1.00 0.55 O ATOM 684 CB LEU A 43 -1.737 2.580 1.786 1.00 0.55 C ATOM 685 CG LEU A 43 -2.058 1.810 0.494 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.865 1.671 -0.466 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.521 0.351 0.652 1.00 1.12 C ATOM 0 H LEU A 43 -3.802 4.385 1.598 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.472 1.931 2.970 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.293 3.538 1.516 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.982 2.023 2.341 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.863 2.443 0.119 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.174 1.116 -1.352 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.518 2.661 -0.761 1.00 1.17 H new ATOM 0 HD13 LEU A 43 -0.057 1.137 0.033 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.714 -0.078 -0.331 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.743 -0.225 1.153 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.434 0.321 1.247 1.00 1.12 H new ATOM 699 N ILE A 44 -2.322 2.539 5.067 1.00 0.42 N ATOM 700 CA ILE A 44 -1.770 2.951 6.320 1.00 0.46 C ATOM 701 C ILE A 44 -0.478 2.247 6.557 1.00 0.42 C ATOM 702 O ILE A 44 -0.295 1.231 5.890 1.00 0.53 O ATOM 703 CB ILE A 44 -2.737 2.651 7.427 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.172 3.139 7.172 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.346 3.257 8.785 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.456 4.640 7.158 1.00 1.27 C ATOM 0 H ILE A 44 -2.667 1.579 5.059 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.587 4.025 6.297 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.695 1.562 7.452 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.490 2.736 6.211 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.811 2.691 7.933 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.096 2.994 9.530 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.376 2.866 9.092 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.288 4.342 8.696 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.515 4.808 6.965 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.191 5.070 8.124 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.865 5.115 6.375 1.00 1.27 H new ATOM 718 N PHE A 45 0.489 2.689 7.382 1.00 0.42 N ATOM 719 CA PHE A 45 1.678 1.973 7.726 1.00 0.46 C ATOM 720 C PHE A 45 1.686 2.382 9.158 1.00 0.68 C ATOM 721 O PHE A 45 1.890 3.559 9.452 1.00 1.50 O ATOM 722 CB PHE A 45 2.927 2.479 6.983 1.00 0.56 C ATOM 723 CG PHE A 45 4.122 1.702 7.415 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.187 0.346 7.202 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.061 2.285 8.234 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.276 -0.377 7.630 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.186 1.597 8.622 1.00 1.33 C ATOM 728 CZ PHE A 45 6.273 0.254 8.337 1.00 1.02 C ATOM 0 H PHE A 45 0.436 3.601 7.835 1.00 0.42 H new ATOM 0 HA PHE A 45 1.692 0.908 7.496 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.786 2.379 5.907 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.078 3.539 7.187 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.377 -0.156 6.694 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.912 3.298 8.577 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.348 -1.432 7.413 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.987 2.102 9.141 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.131 -0.310 8.671 1.00 1.02 H new ATOM 738 N ALA A 46 1.519 1.460 10.124 1.00 0.81 N ATOM 739 CA ALA A 46 1.453 1.816 11.507 1.00 0.96 C ATOM 740 C ALA A 46 0.399 2.817 11.834 1.00 0.97 C ATOM 741 O ALA A 46 -0.798 2.535 11.791 1.00 1.21 O ATOM 742 CB ALA A 46 2.826 2.138 12.122 1.00 1.20 C ATOM 0 H ALA A 46 1.429 0.460 9.944 1.00 0.81 H new ATOM 0 HA ALA A 46 1.121 0.907 12.008 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.702 2.400 13.173 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.475 1.266 12.040 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.275 2.976 11.590 1.00 1.20 H new ATOM 748 N GLY A 47 0.810 4.047 12.188 1.00 0.99 N ATOM 749 CA GLY A 47 -0.106 5.068 12.592 1.00 1.10 C ATOM 750 C GLY A 47 -0.219 6.173 11.600 1.00 1.03 C ATOM 751 O GLY A 47 -1.049 7.076 11.693 1.00 1.30 O ATOM 0 H GLY A 47 1.788 4.337 12.194 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.090 4.625 12.748 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.215 5.478 13.550 1.00 1.10 H new ATOM 755 N LYS A 48 0.630 6.218 10.558 1.00 0.98 N ATOM 756 CA LYS A 48 0.507 7.125 9.459 1.00 1.05 C ATOM 757 C LYS A 48 -0.278 6.597 8.308 1.00 0.84 C ATOM 758 O LYS A 48 -0.245 5.411 7.983 1.00 0.81 O ATOM 759 CB LYS A 48 1.907 7.506 8.950 1.00 1.42 C ATOM 760 CG LYS A 48 2.026 8.801 8.144 1.00 1.61 C ATOM 761 CD LYS A 48 3.409 9.454 8.132 1.00 1.87 C ATOM 762 CE LYS A 48 3.675 10.263 9.403 1.00 2.22 C ATOM 763 NZ LYS A 48 4.843 11.146 9.188 1.00 2.55 N ATOM 0 H LYS A 48 1.435 5.597 10.478 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.038 7.985 9.848 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.571 7.581 9.811 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.277 6.688 8.332 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.734 8.594 7.114 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.309 9.520 8.540 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.172 8.683 8.027 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.494 10.107 7.263 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.798 10.857 9.659 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.862 9.592 10.242 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.025 11.697 10.051 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 5.678 10.568 8.963 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.648 11.794 8.399 1.00 2.55 H new ATOM 777 N GLN A 49 -1.043 7.493 7.659 1.00 0.84 N ATOM 778 CA GLN A 49 -1.711 7.234 6.421 1.00 0.80 C ATOM 779 C GLN A 49 -0.905 7.821 5.313 1.00 0.72 C ATOM 780 O GLN A 49 -0.539 8.994 5.358 1.00 0.83 O ATOM 781 CB GLN A 49 -3.095 7.902 6.393 1.00 1.03 C ATOM 782 CG GLN A 49 -3.871 7.761 5.081 1.00 1.67 C ATOM 783 CD GLN A 49 -5.182 8.508 5.281 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.241 7.985 5.624 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.048 9.855 5.145 1.00 2.48 N ATOM 0 H GLN A 49 -1.203 8.437 8.011 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.826 6.156 6.310 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.698 7.482 7.198 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -2.971 8.963 6.609 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.307 8.181 4.248 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.052 6.712 4.847 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.153 10.252 4.858 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -5.842 10.468 5.330 1.00 2.48 H new ATOM 794 N LEU A 50 -0.620 7.012 4.276 1.00 0.69 N ATOM 795 CA LEU A 50 0.352 7.397 3.301 1.00 0.66 C ATOM 796 C LEU A 50 -0.235 8.131 2.143 1.00 0.72 C ATOM 797 O LEU A 50 -1.395 7.973 1.763 1.00 0.90 O ATOM 798 CB LEU A 50 1.162 6.213 2.744 1.00 0.65 C ATOM 799 CG LEU A 50 1.658 5.234 3.821 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.389 4.028 3.207 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.437 5.891 4.973 1.00 0.74 C ATOM 0 H LEU A 50 -1.056 6.104 4.114 1.00 0.69 H new ATOM 0 HA LEU A 50 1.016 8.060 3.855 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.546 5.669 2.029 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.021 6.599 2.195 1.00 0.65 H new ATOM 0 HG LEU A 50 0.757 4.852 4.300 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.723 3.361 4.002 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.711 3.491 2.544 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.252 4.376 2.639 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.748 5.126 5.685 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.317 6.396 4.575 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.799 6.617 5.476 1.00 0.74 H new ATOM 813 N GLU A 51 0.531 9.077 1.571 1.00 0.70 N ATOM 814 CA GLU A 51 0.195 9.825 0.400 1.00 0.76 C ATOM 815 C GLU A 51 0.664 9.245 -0.891 1.00 0.77 C ATOM 816 O GLU A 51 1.712 8.609 -0.991 1.00 1.23 O ATOM 817 CB GLU A 51 0.702 11.276 0.441 1.00 0.88 C ATOM 818 CG GLU A 51 0.016 12.191 1.457 1.00 1.35 C ATOM 819 CD GLU A 51 0.757 13.439 1.915 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.080 14.278 1.032 1.00 1.94 O ATOM 821 OE2 GLU A 51 0.992 13.591 3.143 1.00 1.89 O ATOM 0 H GLU A 51 1.442 9.335 1.951 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.894 9.786 0.425 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.770 11.262 0.656 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.582 11.711 -0.551 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.936 12.507 1.031 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.212 11.596 2.341 1.00 1.35 H new ATOM 828 N ASP A 52 -0.187 9.402 -1.921 1.00 0.66 N ATOM 829 CA ASP A 52 0.135 8.747 -3.152 1.00 0.65 C ATOM 830 C ASP A 52 1.360 9.170 -3.887 1.00 0.60 C ATOM 831 O ASP A 52 2.227 8.383 -4.264 1.00 0.62 O ATOM 832 CB ASP A 52 -1.017 8.940 -4.153 1.00 0.81 C ATOM 833 CG ASP A 52 -2.405 8.666 -3.591 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.764 9.468 -2.687 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.087 7.676 -3.967 1.00 1.44 O ATOM 0 H ASP A 52 -1.048 9.948 -1.910 1.00 0.66 H new ATOM 0 HA ASP A 52 0.314 7.725 -2.817 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.987 9.964 -4.526 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.851 8.284 -5.008 1.00 0.81 H new ATOM 840 N GLY A 53 1.532 10.493 -4.053 1.00 0.68 N ATOM 841 CA GLY A 53 2.760 10.994 -4.591 1.00 0.73 C ATOM 842 C GLY A 53 3.999 11.148 -3.776 1.00 0.72 C ATOM 843 O GLY A 53 4.911 11.930 -4.037 1.00 0.97 O ATOM 0 H GLY A 53 0.838 11.204 -3.821 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.019 10.346 -5.428 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.538 11.977 -5.006 1.00 0.73 H new ATOM 847 N ARG A 54 4.123 10.341 -2.707 1.00 0.64 N ATOM 848 CA ARG A 54 5.322 10.204 -1.942 1.00 0.63 C ATOM 849 C ARG A 54 5.913 8.849 -2.132 1.00 0.59 C ATOM 850 O ARG A 54 5.118 7.962 -2.435 1.00 0.62 O ATOM 851 CB ARG A 54 5.024 10.543 -0.471 1.00 0.69 C ATOM 852 CG ARG A 54 4.573 11.993 -0.289 1.00 0.82 C ATOM 853 CD ARG A 54 4.877 12.500 1.123 1.00 1.18 C ATOM 854 NE ARG A 54 4.236 13.840 1.233 1.00 1.50 N ATOM 855 CZ ARG A 54 4.759 15.059 0.908 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.981 15.199 0.318 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.110 16.218 1.223 1.00 2.49 N ATOM 0 H ARG A 54 3.357 9.761 -2.363 1.00 0.64 H new ATOM 0 HA ARG A 54 6.078 10.908 -2.290 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.249 9.874 -0.096 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.917 10.365 0.129 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.075 12.626 -1.020 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.503 12.070 -0.482 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.482 11.817 1.875 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.952 12.569 1.288 1.00 1.18 H new ATOM 0 HE ARG A 54 3.284 13.848 1.598 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.541 14.374 0.103 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.335 16.129 0.092 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.215 16.185 1.711 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.520 17.117 0.970 1.00 2.49 H new ATOM 871 N THR A 55 7.250 8.702 -2.108 1.00 0.63 N ATOM 872 CA THR A 55 7.985 7.479 -2.200 1.00 0.61 C ATOM 873 C THR A 55 7.869 6.630 -0.982 1.00 0.59 C ATOM 874 O THR A 55 7.393 6.984 0.096 1.00 0.64 O ATOM 875 CB THR A 55 9.356 7.671 -2.777 1.00 0.68 C ATOM 876 OG1 THR A 55 10.213 8.422 -1.929 1.00 0.75 O ATOM 877 CG2 THR A 55 9.214 8.306 -4.170 1.00 0.76 C ATOM 0 H THR A 55 7.867 9.509 -2.016 1.00 0.63 H new ATOM 0 HA THR A 55 7.499 6.856 -2.950 1.00 0.61 H new ATOM 0 HB THR A 55 9.838 6.698 -2.868 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.895 9.347 -1.879 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.202 8.453 -4.605 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.629 7.647 -4.812 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.710 9.268 -4.082 1.00 0.76 H new ATOM 885 N LEU A 56 8.378 5.388 -1.078 1.00 0.58 N ATOM 886 CA LEU A 56 8.572 4.518 0.040 1.00 0.59 C ATOM 887 C LEU A 56 9.753 4.966 0.828 1.00 0.64 C ATOM 888 O LEU A 56 9.737 4.923 2.057 1.00 0.70 O ATOM 889 CB LEU A 56 8.916 3.144 -0.561 1.00 0.60 C ATOM 890 CG LEU A 56 7.842 2.554 -1.490 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.338 1.628 -2.612 1.00 1.05 C ATOM 892 CD2 LEU A 56 7.029 1.721 -0.485 1.00 1.03 C ATOM 0 H LEU A 56 8.664 4.975 -1.966 1.00 0.58 H new ATOM 0 HA LEU A 56 7.692 4.502 0.683 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.849 3.231 -1.118 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.096 2.442 0.254 1.00 0.60 H new ATOM 0 HG LEU A 56 7.330 3.345 -2.039 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.488 1.277 -3.197 1.00 1.05 H new ATOM 0 HD12 LEU A 56 9.023 2.176 -3.260 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.856 0.774 -2.176 1.00 1.05 H new ATOM 0 HD21 LEU A 56 6.207 1.226 -1.003 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.674 0.971 -0.028 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.628 2.375 0.289 1.00 1.03 H new ATOM 904 N SER A 57 10.727 5.623 0.171 1.00 0.68 N ATOM 905 CA SER A 57 11.935 6.163 0.711 1.00 0.75 C ATOM 906 C SER A 57 11.742 7.288 1.669 1.00 0.76 C ATOM 907 O SER A 57 12.385 7.399 2.711 1.00 0.84 O ATOM 908 CB SER A 57 12.957 6.606 -0.350 1.00 0.84 C ATOM 909 OG SER A 57 14.272 6.799 0.153 1.00 1.19 O ATOM 0 H SER A 57 10.659 5.790 -0.833 1.00 0.68 H new ATOM 0 HA SER A 57 12.334 5.308 1.257 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.989 5.858 -1.142 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.613 7.536 -0.803 1.00 0.84 H new ATOM 0 HG SER A 57 14.864 7.077 -0.577 1.00 1.19 H new ATOM 915 N ASP A 58 10.780 8.169 1.340 1.00 0.75 N ATOM 916 CA ASP A 58 10.271 9.285 2.075 1.00 0.78 C ATOM 917 C ASP A 58 9.883 8.922 3.467 1.00 0.77 C ATOM 918 O ASP A 58 10.152 9.494 4.522 1.00 0.86 O ATOM 919 CB ASP A 58 9.085 9.979 1.386 1.00 0.83 C ATOM 920 CG ASP A 58 9.627 10.698 0.159 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.511 11.582 0.319 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.056 10.449 -0.936 1.00 1.90 O ATOM 0 H ASP A 58 10.301 8.083 0.443 1.00 0.75 H new ATOM 0 HA ASP A 58 11.102 9.989 2.109 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.327 9.250 1.100 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.607 10.685 2.065 1.00 0.83 H new ATOM 927 N TYR A 59 9.086 7.840 3.525 1.00 0.72 N ATOM 928 CA TYR A 59 8.635 7.420 4.816 1.00 0.73 C ATOM 929 C TYR A 59 9.555 6.476 5.509 1.00 0.76 C ATOM 930 O TYR A 59 9.309 6.084 6.649 1.00 0.89 O ATOM 931 CB TYR A 59 7.325 6.626 4.679 1.00 0.73 C ATOM 932 CG TYR A 59 6.228 7.491 4.164 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.588 8.378 4.997 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.712 7.326 2.900 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.540 9.160 4.571 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.684 8.110 2.431 1.00 0.70 C ATOM 937 CZ TYR A 59 4.074 8.995 3.288 1.00 0.74 C ATOM 938 OH TYR A 59 3.028 9.810 2.806 1.00 0.86 O ATOM 0 H TYR A 59 8.769 7.284 2.731 1.00 0.72 H new ATOM 0 HA TYR A 59 8.547 8.346 5.385 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.475 5.783 4.004 1.00 0.73 H new ATOM 0 HB3 TYR A 59 7.043 6.213 5.647 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.920 8.464 6.021 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.125 6.561 2.259 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.092 9.889 5.231 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.360 8.031 1.404 1.00 0.70 H new ATOM 0 HH TYR A 59 3.064 10.684 3.247 1.00 0.86 H new ATOM 948 N ASN A 60 10.670 6.076 4.871 1.00 0.74 N ATOM 949 CA ASN A 60 11.628 5.125 5.343 1.00 0.79 C ATOM 950 C ASN A 60 11.064 3.755 5.505 1.00 0.75 C ATOM 951 O ASN A 60 11.138 3.188 6.594 1.00 0.86 O ATOM 952 CB ASN A 60 12.407 5.575 6.590 1.00 0.95 C ATOM 953 CG ASN A 60 13.159 6.884 6.394 1.00 1.25 C ATOM 954 OD1 ASN A 60 14.002 6.989 5.505 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.851 7.876 7.271 1.00 1.83 N ATOM 0 H ASN A 60 10.919 6.447 3.954 1.00 0.74 H new ATOM 0 HA ASN A 60 12.365 5.073 4.541 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.713 5.685 7.423 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.116 4.795 6.867 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.331 8.774 7.214 1.00 1.83 H new ATOM 0 HD22 ASN A 60 12.140 7.722 7.986 1.00 1.83 H new ATOM 962 N ILE A 61 10.472 3.166 4.451 1.00 0.67 N ATOM 963 CA ILE A 61 9.908 1.853 4.477 1.00 0.65 C ATOM 964 C ILE A 61 11.028 0.911 4.198 1.00 0.66 C ATOM 965 O ILE A 61 11.628 1.076 3.138 1.00 0.75 O ATOM 966 CB ILE A 61 8.802 1.842 3.463 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.701 2.857 3.816 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.228 0.422 3.325 1.00 0.72 C ATOM 969 CD1 ILE A 61 7.026 2.553 5.152 1.00 0.82 C ATOM 0 H ILE A 61 10.383 3.624 3.544 1.00 0.67 H new ATOM 0 HA ILE A 61 9.467 1.552 5.427 1.00 0.65 H new ATOM 0 HB ILE A 61 9.217 2.144 2.501 1.00 0.63 H new ATOM 0 HG12 ILE A 61 8.132 3.857 3.851 1.00 0.70 H new ATOM 0 HG13 ILE A 61 6.950 2.861 3.026 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.426 0.424 2.587 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.016 -0.259 3.003 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.835 0.093 4.287 1.00 0.72 H new ATOM 0 HD11 ILE A 61 6.258 3.301 5.350 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.568 1.565 5.112 1.00 0.82 H new ATOM 0 HD13 ILE A 61 7.769 2.576 5.949 1.00 0.82 H new ATOM 981 N GLN A 62 11.303 0.031 5.178 1.00 0.67 N ATOM 982 CA GLN A 62 12.369 -0.923 5.172 1.00 0.70 C ATOM 983 C GLN A 62 11.949 -2.128 4.402 1.00 0.62 C ATOM 984 O GLN A 62 10.830 -2.094 3.891 1.00 0.64 O ATOM 985 CB GLN A 62 12.837 -1.134 6.622 1.00 0.85 C ATOM 986 CG GLN A 62 13.326 0.156 7.283 1.00 1.27 C ATOM 987 CD GLN A 62 14.229 -0.266 8.434 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.827 -0.615 9.543 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.570 -0.192 8.220 1.00 2.16 N ATOM 0 H GLN A 62 10.744 -0.016 6.030 1.00 0.67 H new ATOM 0 HA GLN A 62 13.258 -0.580 4.643 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.016 -1.547 7.207 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.640 -1.871 6.636 1.00 0.85 H new ATOM 0 HG2 GLN A 62 13.870 0.776 6.570 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.486 0.749 7.645 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.926 0.095 7.308 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.220 -0.424 8.971 1.00 2.16 H new ATOM 998 N LYS A 63 12.667 -3.264 4.379 1.00 0.64 N ATOM 999 CA LYS A 63 12.151 -4.313 3.557 1.00 0.62 C ATOM 1000 C LYS A 63 10.945 -5.118 3.899 1.00 0.59 C ATOM 1001 O LYS A 63 9.957 -5.251 3.178 1.00 0.66 O ATOM 1002 CB LYS A 63 13.176 -5.360 3.087 1.00 0.74 C ATOM 1003 CG LYS A 63 14.350 -4.730 2.335 1.00 0.89 C ATOM 1004 CD LYS A 63 15.407 -5.743 1.887 1.00 1.11 C ATOM 1005 CE LYS A 63 16.514 -5.188 0.989 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.446 -6.272 0.605 1.00 2.12 N ATOM 0 H LYS A 63 13.534 -3.451 4.883 1.00 0.64 H new ATOM 0 HA LYS A 63 11.826 -3.587 2.812 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.553 -5.908 3.950 1.00 0.74 H new ATOM 0 HB3 LYS A 63 12.681 -6.085 2.441 1.00 0.74 H new ATOM 0 HG2 LYS A 63 13.969 -4.204 1.460 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.822 -3.984 2.975 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.867 -6.178 2.774 1.00 1.11 H new ATOM 0 HD3 LYS A 63 14.906 -6.554 1.358 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.078 -4.739 0.097 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.056 -4.399 1.511 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 18.195 -5.886 -0.005 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.873 -6.682 1.460 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.926 -7.011 0.090 1.00 2.12 H new ATOM 1020 N GLU A 64 11.009 -5.737 5.091 1.00 0.57 N ATOM 1021 CA GLU A 64 9.971 -6.609 5.547 1.00 0.58 C ATOM 1022 C GLU A 64 8.725 -5.925 5.995 1.00 0.56 C ATOM 1023 O GLU A 64 7.938 -6.346 6.841 1.00 0.70 O ATOM 1024 CB GLU A 64 10.460 -7.521 6.685 1.00 0.72 C ATOM 1025 CG GLU A 64 11.122 -6.898 7.916 1.00 0.96 C ATOM 1026 CD GLU A 64 11.585 -7.937 8.928 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.630 -8.605 8.709 1.00 1.69 O ATOM 1028 OE2 GLU A 64 10.918 -7.983 9.996 1.00 1.71 O ATOM 0 H GLU A 64 11.786 -5.632 5.744 1.00 0.57 H new ATOM 0 HA GLU A 64 9.716 -7.192 4.662 1.00 0.58 H new ATOM 0 HB2 GLU A 64 9.603 -8.099 7.032 1.00 0.72 H new ATOM 0 HB3 GLU A 64 11.169 -8.229 6.255 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.977 -6.300 7.599 1.00 0.96 H new ATOM 0 HG3 GLU A 64 10.418 -6.218 8.396 1.00 0.96 H new ATOM 1035 N SER A 65 8.425 -4.727 5.464 1.00 0.51 N ATOM 1036 CA SER A 65 7.338 -3.877 5.839 1.00 0.51 C ATOM 1037 C SER A 65 5.983 -4.309 5.396 1.00 0.43 C ATOM 1038 O SER A 65 5.852 -4.759 4.258 1.00 0.50 O ATOM 1039 CB SER A 65 7.661 -2.470 5.307 1.00 0.65 C ATOM 1040 OG SER A 65 8.742 -1.839 5.979 1.00 1.04 O ATOM 0 H SER A 65 8.986 -4.322 4.715 1.00 0.51 H new ATOM 0 HA SER A 65 7.265 -3.913 6.926 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.895 -2.538 4.245 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.773 -1.844 5.398 1.00 0.65 H new ATOM 0 HG SER A 65 9.534 -1.844 5.402 1.00 1.04 H new ATOM 1046 N THR A 66 4.976 -4.222 6.283 1.00 0.45 N ATOM 1047 CA THR A 66 3.620 -4.574 5.998 1.00 0.45 C ATOM 1048 C THR A 66 2.822 -3.316 6.040 1.00 0.43 C ATOM 1049 O THR A 66 2.527 -2.713 7.070 1.00 0.58 O ATOM 1050 CB THR A 66 3.072 -5.624 6.918 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.837 -6.813 6.785 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.610 -5.949 6.567 1.00 0.78 C ATOM 0 H THR A 66 5.113 -3.893 7.239 1.00 0.45 H new ATOM 0 HA THR A 66 3.564 -5.032 5.011 1.00 0.45 H new ATOM 0 HB THR A 66 3.123 -5.244 7.938 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.481 -7.500 7.387 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.234 -6.713 7.247 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.004 -5.048 6.662 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.555 -6.317 5.542 1.00 0.78 H new ATOM 1060 N LEU A 67 2.412 -2.929 4.819 1.00 0.38 N ATOM 1061 CA LEU A 67 1.540 -1.836 4.520 1.00 0.38 C ATOM 1062 C LEU A 67 0.170 -2.299 4.878 1.00 0.37 C ATOM 1063 O LEU A 67 -0.130 -3.490 4.806 1.00 0.50 O ATOM 1064 CB LEU A 67 1.690 -1.293 3.088 1.00 0.46 C ATOM 1065 CG LEU A 67 2.538 -0.015 2.976 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.977 -0.243 3.468 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.358 0.698 1.624 1.00 1.31 C ATOM 0 H LEU A 67 2.714 -3.419 3.977 1.00 0.38 H new ATOM 0 HA LEU A 67 1.799 -0.955 5.107 1.00 0.38 H new ATOM 0 HB2 LEU A 67 2.138 -2.067 2.465 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.698 -1.092 2.683 1.00 0.46 H new ATOM 0 HG LEU A 67 2.153 0.728 3.675 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.545 0.683 3.373 1.00 1.40 H new ATOM 0 HD12 LEU A 67 3.959 -0.553 4.513 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.448 -1.021 2.867 1.00 1.40 H new ATOM 0 HD21 LEU A 67 2.979 1.593 1.599 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.655 0.028 0.817 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.312 0.978 1.497 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.691 -1.473 5.498 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.955 -1.810 6.075 1.00 0.37 C ATOM 1081 C HIS A 68 -3.011 -1.267 5.173 1.00 0.35 C ATOM 1082 O HIS A 68 -3.277 -0.066 5.169 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.206 -1.298 7.503 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.571 -2.161 8.553 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.287 -2.022 9.039 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.078 -3.258 9.178 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.042 -3.109 9.818 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.096 -3.901 9.902 1.00 1.51 N ATOM 0 H HIS A 68 -0.482 -0.480 5.604 1.00 0.35 H new ATOM 0 HA HIS A 68 -1.970 -2.896 6.168 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -1.820 -0.283 7.592 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.280 -1.248 7.682 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.107 -3.581 9.116 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.900 -3.302 10.309 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.168 -4.792 10.394 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.758 -2.115 4.446 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.632 -1.556 3.462 1.00 0.38 C ATOM 1098 C LEU A 69 -6.025 -1.669 3.977 1.00 0.41 C ATOM 1099 O LEU A 69 -6.607 -2.660 4.414 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.408 -2.431 2.217 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.454 -2.448 1.089 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -6.000 -1.062 0.705 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -4.947 -3.185 -0.163 1.00 1.14 C ATOM 0 H LEU A 69 -3.762 -3.132 4.529 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.451 -0.506 3.234 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.459 -2.128 1.774 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.286 -3.458 2.561 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.292 -3.002 1.512 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.731 -1.168 -0.097 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -6.477 -0.606 1.572 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -5.180 -0.429 0.367 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.720 -3.171 -0.932 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.052 -2.690 -0.539 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -4.710 -4.217 0.094 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.609 -0.456 3.954 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.947 -0.238 4.406 1.00 0.56 C ATOM 1117 C VAL A 70 -8.734 0.125 3.193 1.00 0.55 C ATOM 1118 O VAL A 70 -8.349 0.963 2.379 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.983 0.875 5.411 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.406 1.226 5.879 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.301 0.393 6.702 1.00 0.97 C ATOM 0 H VAL A 70 -6.143 0.386 3.616 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.355 -1.123 4.895 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.512 1.728 4.923 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.360 2.038 6.605 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.004 1.538 5.023 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.863 0.351 6.342 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.319 1.192 7.443 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.832 -0.476 7.092 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.268 0.120 6.488 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.961 -0.418 3.096 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.669 -0.185 1.876 1.00 0.84 C ATOM 1133 C LEU A 71 -11.722 0.840 2.118 1.00 0.85 C ATOM 1134 O LEU A 71 -12.508 0.767 3.062 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.276 -1.494 1.343 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.334 -2.492 0.650 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -9.538 -1.892 -0.520 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.345 -3.215 1.580 1.00 2.78 C ATOM 0 H LEU A 71 -10.436 -0.978 3.804 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.981 0.185 1.116 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.751 -2.007 2.179 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.066 -1.234 0.638 1.00 1.26 H new ATOM 0 HG LEU A 71 -11.042 -3.228 0.270 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -8.897 -2.659 -0.955 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.228 -1.522 -1.278 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -8.923 -1.069 -0.157 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.727 -3.896 0.995 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -8.709 -2.482 2.075 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.898 -3.781 2.330 1.00 2.78 H new