USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 132:sc= 0.695 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.541 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 161:sc= 0.553 (180deg=-0.693) USER MOD Set 2.2: A 12 THR OG1 : rot 146:sc= 0.837 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.177 (180deg=-1.28!) USER MOD Single : A 1 MET N :NH3+ -156:sc= 1.22 (180deg=1.01) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 11 LYS NZ :NH3+ 130:sc= 1.19 (180deg=-1.19!) 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= 0.0652 USER MOD Single : A 25 ASN : amide:sc= 0.968 K(o=0.97,f=-2.9!) USER MOD Single : A 27 LYS NZ :NH3+ 137:sc= 0.89 (180deg=0.578) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0204 K(o=-0.02,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0605) USER MOD Single : A 40 GLN : amide:sc= -0.0854 K(o=-0.085,f=-2!) USER MOD Single : A 41 GLN : amide:sc= 0.181 X(o=0.18,f=-0.25) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.075) USER MOD Single : A 55 THR OG1 : rot -82:sc= 1.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.376 USER MOD Single : A 60 ASN : amide:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 0.952 (180deg=0.633) USER MOD Single : A 65 SER OG : rot 95:sc= 1.08 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0344 X(o=-0.034,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.911 -4.349 -3.724 1.00 0.78 N ATOM 2 CA MET A 1 12.533 -4.414 -2.294 1.00 0.70 C ATOM 3 C MET A 1 11.214 -5.090 -2.149 1.00 0.62 C ATOM 4 O MET A 1 10.366 -4.796 -2.989 1.00 0.68 O ATOM 5 CB MET A 1 12.586 -2.996 -1.700 1.00 0.75 C ATOM 6 CG MET A 1 12.233 -3.037 -0.213 1.00 0.79 C ATOM 7 SD MET A 1 12.112 -1.465 0.694 1.00 1.10 S ATOM 8 CE MET A 1 10.644 -0.989 -0.264 1.00 0.84 C ATOM 0 H1 MET A 1 13.945 -4.268 -3.807 1.00 0.78 H new ATOM 0 H2 MET A 1 12.592 -5.213 -4.207 1.00 0.78 H new ATOM 0 H3 MET A 1 12.463 -3.520 -4.164 1.00 0.78 H new ATOM 0 HA MET A 1 13.238 -5.019 -1.724 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.582 -2.574 -1.834 1.00 0.75 H new ATOM 0 HB3 MET A 1 11.890 -2.345 -2.229 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.277 -3.552 -0.113 1.00 0.79 H new ATOM 0 HG3 MET A 1 12.980 -3.652 0.288 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.037 -0.297 0.320 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.955 -0.506 -1.190 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.058 -1.878 -0.497 1.00 0.84 H new ATOM 20 N GLN A 2 11.121 -6.128 -1.297 1.00 0.59 N ATOM 21 CA GLN A 2 9.909 -6.856 -1.083 1.00 0.56 C ATOM 22 C GLN A 2 9.137 -6.282 0.054 1.00 0.50 C ATOM 23 O GLN A 2 9.659 -6.064 1.146 1.00 0.60 O ATOM 24 CB GLN A 2 10.008 -8.367 -0.813 1.00 0.71 C ATOM 25 CG GLN A 2 10.598 -9.163 -1.980 1.00 1.15 C ATOM 26 CD GLN A 2 10.777 -10.627 -1.606 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.816 -11.342 -1.324 1.00 1.87 O ATOM 28 NE2 GLN A 2 12.025 -11.165 -1.562 1.00 1.72 N ATOM 0 H GLN A 2 11.907 -6.469 -0.744 1.00 0.59 H new ATOM 0 HA GLN A 2 9.425 -6.748 -2.054 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.622 -8.529 0.073 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.014 -8.753 -0.587 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.943 -9.083 -2.847 1.00 1.15 H new ATOM 0 HG3 GLN A 2 11.560 -8.737 -2.266 1.00 1.15 H new ATOM 0 HE21 GLN A 2 12.836 -10.591 -1.792 1.00 1.72 H new ATOM 0 HE22 GLN A 2 12.150 -12.143 -1.299 1.00 1.72 H new ATOM 37 N ILE A 3 7.873 -5.890 -0.188 1.00 0.44 N ATOM 38 CA ILE A 3 7.046 -5.479 0.904 1.00 0.42 C ATOM 39 C ILE A 3 5.780 -6.265 0.936 1.00 0.40 C ATOM 40 O ILE A 3 5.371 -6.841 -0.070 1.00 0.50 O ATOM 41 CB ILE A 3 6.706 -4.021 0.825 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.106 -3.587 -0.523 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.935 -3.308 1.413 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.886 -2.082 -0.664 1.00 0.72 C ATOM 0 H ILE A 3 7.434 -5.857 -1.108 1.00 0.44 H new ATOM 0 HA ILE A 3 7.617 -5.660 1.815 1.00 0.42 H new ATOM 0 HB ILE A 3 5.847 -3.715 1.421 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.765 -3.922 -1.324 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.152 -4.095 -0.662 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.774 -2.230 1.395 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.088 -3.635 2.442 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.816 -3.553 0.820 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.461 -1.867 -1.644 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.201 -1.740 0.112 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.839 -1.564 -0.560 1.00 0.72 H new ATOM 56 N PHE A 4 5.108 -6.306 2.101 1.00 0.37 N ATOM 57 CA PHE A 4 3.892 -7.034 2.291 1.00 0.38 C ATOM 58 C PHE A 4 2.735 -6.103 2.410 1.00 0.39 C ATOM 59 O PHE A 4 2.746 -5.170 3.210 1.00 0.60 O ATOM 60 CB PHE A 4 3.930 -7.845 3.597 1.00 0.45 C ATOM 61 CG PHE A 4 4.978 -8.893 3.450 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.899 -9.886 2.503 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.013 -8.961 4.354 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.929 -10.771 2.296 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.030 -9.878 4.238 1.00 1.40 C ATOM 66 CZ PHE A 4 6.960 -10.783 3.206 1.00 0.85 C ATOM 0 H PHE A 4 5.422 -5.816 2.939 1.00 0.37 H new ATOM 0 HA PHE A 4 3.785 -7.691 1.428 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.154 -7.196 4.444 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.959 -8.300 3.793 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.003 -9.973 1.906 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.027 -8.270 5.184 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.929 -11.436 1.445 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.856 -9.887 4.934 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.738 -11.526 3.107 1.00 0.85 H new ATOM 76 N VAL A 5 1.647 -6.278 1.638 1.00 0.35 N ATOM 77 CA VAL A 5 0.385 -5.612 1.708 1.00 0.35 C ATOM 78 C VAL A 5 -0.585 -6.581 2.290 1.00 0.35 C ATOM 79 O VAL A 5 -0.900 -7.572 1.632 1.00 0.46 O ATOM 80 CB VAL A 5 -0.117 -5.118 0.383 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.480 -4.413 0.486 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.868 -4.034 -0.082 1.00 0.56 C ATOM 0 H VAL A 5 1.658 -6.963 0.882 1.00 0.35 H new ATOM 0 HA VAL A 5 0.501 -4.719 2.322 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.209 -5.976 -0.283 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.792 -4.078 -0.503 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.220 -5.108 0.884 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.396 -3.553 1.151 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.547 -3.640 -1.046 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.893 -3.227 0.650 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.864 -4.465 -0.180 1.00 0.56 H new ATOM 92 N LYS A 6 -0.982 -6.317 3.548 1.00 0.36 N ATOM 93 CA LYS A 6 -1.947 -7.032 4.325 1.00 0.39 C ATOM 94 C LYS A 6 -3.224 -6.268 4.395 1.00 0.46 C ATOM 95 O LYS A 6 -3.367 -5.050 4.484 1.00 0.53 O ATOM 96 CB LYS A 6 -1.286 -7.416 5.660 1.00 0.54 C ATOM 97 CG LYS A 6 -2.288 -7.931 6.695 1.00 1.22 C ATOM 98 CD LYS A 6 -1.840 -8.327 8.103 1.00 1.37 C ATOM 99 CE LYS A 6 -1.299 -9.749 8.258 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.336 -10.050 7.175 1.00 2.09 N ATOM 0 H LYS A 6 -0.590 -5.531 4.067 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.252 -7.973 3.867 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.532 -8.182 5.479 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -0.767 -6.548 6.065 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.052 -7.162 6.809 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.776 -8.803 6.259 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.069 -7.628 8.428 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.686 -8.205 8.780 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -0.813 -9.857 9.228 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.122 -10.464 8.232 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.256 -10.859 7.452 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.855 -10.282 6.304 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.268 -9.220 7.007 1.00 2.09 H new ATOM 114 N THR A 7 -4.343 -6.967 4.136 1.00 0.58 N ATOM 115 CA THR A 7 -5.677 -6.450 4.143 1.00 0.78 C ATOM 116 C THR A 7 -6.307 -6.831 5.439 1.00 0.94 C ATOM 117 O THR A 7 -5.771 -7.675 6.155 1.00 0.99 O ATOM 118 CB THR A 7 -6.442 -7.095 3.025 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.785 -8.455 3.252 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.771 -6.924 1.652 1.00 0.92 C ATOM 0 H THR A 7 -4.313 -7.960 3.906 1.00 0.58 H new ATOM 0 HA THR A 7 -5.677 -5.367 4.019 1.00 0.78 H new ATOM 0 HB THR A 7 -7.381 -6.541 3.009 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.731 -8.594 3.037 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.375 -7.413 0.888 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.683 -5.863 1.420 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.779 -7.374 1.673 1.00 0.92 H new ATOM 128 N LEU A 8 -7.432 -6.176 5.781 1.00 1.17 N ATOM 129 CA LEU A 8 -8.167 -6.535 6.954 1.00 1.39 C ATOM 130 C LEU A 8 -9.087 -7.662 6.634 1.00 1.44 C ATOM 131 O LEU A 8 -9.781 -8.178 7.509 1.00 1.60 O ATOM 132 CB LEU A 8 -8.845 -5.321 7.613 1.00 1.66 C ATOM 133 CG LEU A 8 -7.985 -4.073 7.872 1.00 2.11 C ATOM 134 CD1 LEU A 8 -8.658 -3.159 8.911 1.00 2.53 C ATOM 135 CD2 LEU A 8 -6.517 -4.319 8.256 1.00 2.43 C ATOM 0 H LEU A 8 -7.830 -5.403 5.249 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.480 -6.893 7.720 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.685 -5.025 6.985 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -9.260 -5.646 8.567 1.00 1.66 H new ATOM 0 HG LEU A 8 -7.931 -3.587 6.898 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -8.035 -2.281 9.081 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.634 -2.845 8.541 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -8.783 -3.703 9.847 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -6.017 -3.363 8.412 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -6.474 -4.905 9.174 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -6.018 -4.863 7.454 1.00 2.43 H new ATOM 147 N THR A 9 -9.223 -8.166 5.394 1.00 1.41 N ATOM 148 CA THR A 9 -10.152 -9.183 5.014 1.00 1.51 C ATOM 149 C THR A 9 -9.558 -10.541 5.159 1.00 1.37 C ATOM 150 O THR A 9 -10.296 -11.480 5.458 1.00 1.62 O ATOM 151 CB THR A 9 -10.638 -8.995 3.607 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.633 -8.911 2.609 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.460 -7.712 3.400 1.00 2.08 C ATOM 0 H THR A 9 -8.651 -7.844 4.613 1.00 1.41 H new ATOM 0 HA THR A 9 -11.004 -9.095 5.689 1.00 1.51 H new ATOM 0 HB THR A 9 -11.227 -9.904 3.489 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.053 -8.791 1.732 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.776 -7.646 2.359 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.338 -7.735 4.045 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.849 -6.844 3.649 1.00 2.08 H new ATOM 161 N GLY A 10 -8.231 -10.687 5.000 1.00 1.18 N ATOM 162 CA GLY A 10 -7.552 -11.927 5.214 1.00 1.22 C ATOM 163 C GLY A 10 -6.731 -12.410 4.068 1.00 0.99 C ATOM 164 O GLY A 10 -6.865 -13.504 3.522 1.00 1.31 O ATOM 0 H GLY A 10 -7.615 -9.925 4.716 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.905 -11.822 6.085 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.292 -12.690 5.457 1.00 1.22 H new ATOM 168 N LYS A 11 -5.844 -11.492 3.646 1.00 0.73 N ATOM 169 CA LYS A 11 -5.044 -11.683 2.476 1.00 0.60 C ATOM 170 C LYS A 11 -3.802 -10.877 2.647 1.00 0.51 C ATOM 171 O LYS A 11 -3.978 -9.730 3.056 1.00 0.63 O ATOM 172 CB LYS A 11 -5.835 -11.263 1.226 1.00 0.75 C ATOM 173 CG LYS A 11 -5.263 -11.871 -0.055 1.00 0.87 C ATOM 174 CD LYS A 11 -6.059 -11.512 -1.312 1.00 1.04 C ATOM 175 CE LYS A 11 -5.488 -12.113 -2.598 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.210 -11.680 -3.814 1.00 1.40 N ATOM 0 H LYS A 11 -5.679 -10.605 4.123 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.778 -12.732 2.343 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.875 -11.569 1.337 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.829 -10.176 1.144 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.234 -11.535 -0.179 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.234 -12.956 0.049 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -7.087 -11.852 -1.189 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.092 -10.427 -1.412 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.438 -11.833 -2.687 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.523 -13.200 -2.530 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.527 -11.341 -4.521 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.744 -12.482 -4.205 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.868 -10.912 -3.572 1.00 1.40 H new ATOM 190 N THR A 12 -2.647 -11.446 2.261 1.00 0.49 N ATOM 191 CA THR A 12 -1.396 -10.754 2.312 1.00 0.48 C ATOM 192 C THR A 12 -0.749 -11.103 1.016 1.00 0.52 C ATOM 193 O THR A 12 -0.821 -12.263 0.614 1.00 0.72 O ATOM 194 CB THR A 12 -0.453 -11.169 3.402 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.085 -11.132 4.675 1.00 0.77 O ATOM 196 CG2 THR A 12 0.583 -10.034 3.478 1.00 0.78 C ATOM 0 H THR A 12 -2.579 -12.401 1.908 1.00 0.49 H new ATOM 0 HA THR A 12 -1.596 -9.699 2.502 1.00 0.48 H new ATOM 0 HB THR A 12 -0.069 -12.167 3.193 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.730 -11.851 5.238 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.314 -10.260 4.255 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.091 -9.940 2.518 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.079 -9.097 3.715 1.00 0.78 H new ATOM 204 N ILE A 13 -0.244 -10.082 0.299 1.00 0.48 N ATOM 205 CA ILE A 13 0.400 -10.202 -0.972 1.00 0.55 C ATOM 206 C ILE A 13 1.728 -9.529 -0.895 1.00 0.51 C ATOM 207 O ILE A 13 1.978 -8.593 -0.136 1.00 0.56 O ATOM 208 CB ILE A 13 -0.493 -9.739 -2.084 1.00 0.69 C ATOM 209 CG1 ILE A 13 -0.972 -8.282 -1.957 1.00 1.15 C ATOM 210 CG2 ILE A 13 -1.618 -10.778 -2.219 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.155 -7.743 -2.760 1.00 1.55 C ATOM 0 H ILE A 13 -0.288 -9.117 0.627 1.00 0.48 H new ATOM 0 HA ILE A 13 0.592 -11.246 -1.218 1.00 0.55 H new ATOM 0 HB ILE A 13 0.073 -9.691 -3.015 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -1.207 -8.119 -0.905 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.117 -7.649 -2.194 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.294 -10.480 -3.020 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -1.188 -11.752 -2.451 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.171 -10.840 -1.282 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -2.315 -6.694 -2.512 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.944 -7.836 -3.825 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.051 -8.314 -2.516 1.00 1.55 H new ATOM 223 N THR A 14 2.619 -10.030 -1.768 1.00 0.55 N ATOM 224 CA THR A 14 3.963 -9.547 -1.826 1.00 0.54 C ATOM 225 C THR A 14 4.216 -8.767 -3.070 1.00 0.55 C ATOM 226 O THR A 14 4.180 -9.367 -4.143 1.00 0.72 O ATOM 227 CB THR A 14 4.978 -10.646 -1.937 1.00 0.67 C ATOM 228 OG1 THR A 14 4.599 -11.664 -1.021 1.00 1.08 O ATOM 229 CG2 THR A 14 6.460 -10.314 -1.694 1.00 1.03 C ATOM 0 H THR A 14 2.408 -10.772 -2.436 1.00 0.55 H new ATOM 0 HA THR A 14 4.062 -8.968 -0.908 1.00 0.54 H new ATOM 0 HB THR A 14 4.954 -10.925 -2.990 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.242 -12.402 -1.068 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.059 -11.217 -1.813 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.788 -9.564 -2.414 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.585 -9.926 -0.683 1.00 1.03 H new ATOM 237 N LEU A 15 4.371 -7.440 -2.915 1.00 0.50 N ATOM 238 CA LEU A 15 4.716 -6.556 -3.985 1.00 0.55 C ATOM 239 C LEU A 15 6.204 -6.511 -4.026 1.00 0.52 C ATOM 240 O LEU A 15 6.960 -6.803 -3.100 1.00 0.58 O ATOM 241 CB LEU A 15 4.252 -5.090 -3.985 1.00 0.69 C ATOM 242 CG LEU A 15 2.738 -5.029 -3.723 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.377 -3.538 -3.622 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.015 -5.723 -4.889 1.00 1.55 C ATOM 0 H LEU A 15 4.253 -6.968 -2.019 1.00 0.50 H new ATOM 0 HA LEU A 15 4.180 -6.985 -4.832 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.787 -4.529 -3.219 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.485 -4.624 -4.943 1.00 0.69 H new ATOM 0 HG LEU A 15 2.441 -5.538 -2.806 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.308 -3.434 -3.435 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.934 -3.083 -2.803 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.633 -3.038 -4.556 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.939 -5.690 -4.721 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.253 -5.211 -5.821 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.340 -6.761 -4.953 1.00 1.55 H new ATOM 256 N GLU A 16 6.731 -6.225 -5.229 1.00 0.59 N ATOM 257 CA GLU A 16 8.134 -6.024 -5.420 1.00 0.63 C ATOM 258 C GLU A 16 8.306 -4.708 -6.098 1.00 0.65 C ATOM 259 O GLU A 16 7.942 -4.475 -7.250 1.00 0.81 O ATOM 260 CB GLU A 16 8.697 -7.069 -6.397 1.00 0.76 C ATOM 261 CG GLU A 16 9.004 -8.441 -5.794 1.00 1.41 C ATOM 262 CD GLU A 16 9.143 -9.340 -7.014 1.00 1.52 C ATOM 263 OE1 GLU A 16 8.154 -9.552 -7.767 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.191 -10.030 -7.122 1.00 1.95 O ATOM 0 H GLU A 16 6.177 -6.132 -6.080 1.00 0.59 H new ATOM 0 HA GLU A 16 8.637 -6.087 -4.455 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.983 -7.201 -7.210 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.612 -6.673 -6.837 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.919 -8.424 -5.201 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.204 -8.779 -5.135 1.00 1.41 H new ATOM 271 N VAL A 17 8.917 -3.769 -5.353 1.00 0.61 N ATOM 272 CA VAL A 17 9.101 -2.387 -5.671 1.00 0.63 C ATOM 273 C VAL A 17 10.537 -2.049 -5.458 1.00 0.65 C ATOM 274 O VAL A 17 11.354 -2.966 -5.378 1.00 0.76 O ATOM 275 CB VAL A 17 8.266 -1.615 -4.694 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.811 -1.872 -5.124 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.523 -2.045 -3.240 1.00 0.92 C ATOM 0 H VAL A 17 9.318 -4.001 -4.445 1.00 0.61 H new ATOM 0 HA VAL A 17 8.820 -2.160 -6.699 1.00 0.63 H new ATOM 0 HB VAL A 17 8.511 -0.553 -4.710 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.135 -1.339 -4.456 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.665 -1.519 -6.145 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.601 -2.941 -5.076 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.895 -1.457 -2.570 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.285 -3.103 -3.126 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.572 -1.880 -2.992 1.00 0.92 H new ATOM 287 N GLU A 18 10.811 -0.735 -5.393 1.00 0.68 N ATOM 288 CA GLU A 18 12.058 -0.294 -4.850 1.00 0.74 C ATOM 289 C GLU A 18 11.760 0.741 -3.821 1.00 0.71 C ATOM 290 O GLU A 18 10.595 1.097 -3.652 1.00 0.74 O ATOM 291 CB GLU A 18 13.028 0.129 -5.966 1.00 0.88 C ATOM 292 CG GLU A 18 13.533 -1.048 -6.803 1.00 1.16 C ATOM 293 CD GLU A 18 14.718 -0.652 -7.672 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.521 0.019 -8.720 1.00 2.35 O ATOM 295 OE2 GLU A 18 15.841 -0.865 -7.142 1.00 2.33 O ATOM 0 H GLU A 18 10.186 0.007 -5.708 1.00 0.68 H new ATOM 0 HA GLU A 18 12.595 -1.098 -4.346 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.529 0.844 -6.620 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.880 0.643 -5.522 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.822 -1.866 -6.143 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.726 -1.418 -7.435 1.00 1.16 H new ATOM 302 N PRO A 19 12.705 1.186 -3.046 1.00 0.74 N ATOM 303 CA PRO A 19 12.351 2.081 -1.983 1.00 0.74 C ATOM 304 C PRO A 19 11.953 3.412 -2.520 1.00 0.70 C ATOM 305 O PRO A 19 11.297 4.230 -1.877 1.00 0.74 O ATOM 306 CB PRO A 19 13.665 2.180 -1.211 1.00 0.86 C ATOM 307 CG PRO A 19 14.345 0.807 -1.336 1.00 0.95 C ATOM 308 CD PRO A 19 13.978 0.524 -2.802 1.00 0.82 C ATOM 0 HA PRO A 19 11.506 1.745 -1.383 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.299 2.966 -1.622 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.484 2.430 -0.166 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.421 0.847 -1.166 1.00 0.95 H new ATOM 0 HG3 PRO A 19 13.941 0.067 -0.645 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.747 0.903 -3.474 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.898 -0.548 -2.982 1.00 0.82 H new ATOM 316 N SER A 20 12.333 3.663 -3.787 1.00 0.70 N ATOM 317 CA SER A 20 11.989 4.858 -4.492 1.00 0.74 C ATOM 318 C SER A 20 10.700 4.778 -5.234 1.00 0.71 C ATOM 319 O SER A 20 10.281 5.744 -5.870 1.00 0.80 O ATOM 320 CB SER A 20 13.058 5.198 -5.546 1.00 0.89 C ATOM 321 OG SER A 20 14.319 4.675 -5.156 1.00 1.45 O ATOM 0 H SER A 20 12.897 3.014 -4.336 1.00 0.70 H new ATOM 0 HA SER A 20 11.910 5.615 -3.712 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.769 4.786 -6.513 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.127 6.279 -5.668 1.00 0.89 H new ATOM 0 HG SER A 20 14.989 4.897 -5.836 1.00 1.45 H new ATOM 327 N ASP A 21 9.939 3.671 -5.166 1.00 0.70 N ATOM 328 CA ASP A 21 8.668 3.662 -5.822 1.00 0.73 C ATOM 329 C ASP A 21 7.686 4.462 -5.038 1.00 0.64 C ATOM 330 O ASP A 21 7.683 4.500 -3.808 1.00 0.66 O ATOM 331 CB ASP A 21 8.083 2.244 -5.935 1.00 0.87 C ATOM 332 CG ASP A 21 8.484 1.641 -7.274 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.240 2.355 -8.283 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.799 0.425 -7.357 1.00 1.69 O ATOM 0 H ASP A 21 10.190 2.812 -4.676 1.00 0.70 H new ATOM 0 HA ASP A 21 8.833 4.075 -6.817 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.448 1.621 -5.118 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.997 2.278 -5.849 1.00 0.87 H new ATOM 339 N THR A 22 6.804 5.230 -5.703 1.00 0.63 N ATOM 340 CA THR A 22 5.781 6.079 -5.177 1.00 0.58 C ATOM 341 C THR A 22 4.643 5.249 -4.692 1.00 0.53 C ATOM 342 O THR A 22 4.518 4.086 -5.070 1.00 0.58 O ATOM 343 CB THR A 22 5.221 7.147 -6.069 1.00 0.63 C ATOM 344 OG1 THR A 22 4.857 6.637 -7.343 1.00 0.70 O ATOM 345 CG2 THR A 22 6.267 8.261 -6.256 1.00 0.75 C ATOM 0 H THR A 22 6.812 5.256 -6.723 1.00 0.63 H new ATOM 0 HA THR A 22 6.303 6.622 -4.389 1.00 0.58 H new ATOM 0 HB THR A 22 4.323 7.539 -5.591 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.495 7.362 -7.894 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.860 9.037 -6.904 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.517 8.692 -5.287 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.166 7.844 -6.710 1.00 0.75 H new ATOM 353 N ILE A 23 3.750 5.840 -3.877 1.00 0.51 N ATOM 354 CA ILE A 23 2.558 5.221 -3.386 1.00 0.48 C ATOM 355 C ILE A 23 1.602 4.984 -4.504 1.00 0.48 C ATOM 356 O ILE A 23 0.939 3.957 -4.638 1.00 0.51 O ATOM 357 CB ILE A 23 2.025 6.019 -2.234 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.046 6.082 -1.084 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.747 5.325 -1.735 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.602 4.774 -0.524 1.00 0.73 C ATOM 0 H ILE A 23 3.866 6.797 -3.544 1.00 0.51 H new ATOM 0 HA ILE A 23 2.760 4.228 -2.985 1.00 0.48 H new ATOM 0 HB ILE A 23 1.822 7.038 -2.562 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.891 6.681 -1.424 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.582 6.624 -0.260 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.334 5.883 -0.895 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.014 5.288 -2.541 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.985 4.311 -1.415 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.307 4.992 0.278 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.784 4.168 -0.134 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.113 4.227 -1.316 1.00 0.73 H new ATOM 372 N GLU A 24 1.600 5.895 -5.494 1.00 0.50 N ATOM 373 CA GLU A 24 1.045 5.744 -6.803 1.00 0.53 C ATOM 374 C GLU A 24 1.457 4.536 -7.573 1.00 0.50 C ATOM 375 O GLU A 24 0.640 3.815 -8.142 1.00 0.55 O ATOM 376 CB GLU A 24 1.372 6.961 -7.684 1.00 0.64 C ATOM 377 CG GLU A 24 0.350 7.268 -8.780 1.00 0.95 C ATOM 378 CD GLU A 24 0.877 8.101 -9.940 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.969 7.783 -10.483 1.00 1.62 O ATOM 380 OE2 GLU A 24 0.214 9.145 -10.180 1.00 1.56 O ATOM 0 H GLU A 24 2.023 6.814 -5.366 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.019 5.639 -6.592 1.00 0.53 H new ATOM 0 HB2 GLU A 24 1.467 7.838 -7.043 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.344 6.800 -8.151 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.032 6.326 -9.174 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.494 7.791 -8.331 1.00 0.95 H new ATOM 387 N ASN A 25 2.769 4.240 -7.580 1.00 0.51 N ATOM 388 CA ASN A 25 3.270 3.033 -8.159 1.00 0.52 C ATOM 389 C ASN A 25 2.921 1.739 -7.508 1.00 0.47 C ATOM 390 O ASN A 25 2.838 0.671 -8.111 1.00 0.53 O ATOM 391 CB ASN A 25 4.804 3.038 -8.283 1.00 0.64 C ATOM 392 CG ASN A 25 5.259 4.057 -9.316 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.404 4.788 -9.814 1.00 2.13 O ATOM 394 ND2 ASN A 25 6.566 4.178 -9.672 1.00 1.57 N ATOM 0 H ASN A 25 3.488 4.843 -7.181 1.00 0.51 H new ATOM 0 HA ASN A 25 2.751 3.059 -9.117 1.00 0.52 H new ATOM 0 HB2 ASN A 25 5.251 3.269 -7.316 1.00 0.64 H new ATOM 0 HB3 ASN A 25 5.154 2.045 -8.566 1.00 0.64 H new ATOM 0 HD21 ASN A 25 6.845 4.880 -10.358 1.00 1.57 H new ATOM 0 HD22 ASN A 25 7.267 3.567 -9.253 1.00 1.57 H new ATOM 401 N VAL A 26 2.706 1.768 -6.180 1.00 0.45 N ATOM 402 CA VAL A 26 2.295 0.685 -5.343 1.00 0.44 C ATOM 403 C VAL A 26 0.849 0.413 -5.581 1.00 0.40 C ATOM 404 O VAL A 26 0.480 -0.732 -5.838 1.00 0.44 O ATOM 405 CB VAL A 26 2.559 1.022 -3.905 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.830 0.053 -2.959 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.061 0.990 -3.576 1.00 0.62 C ATOM 0 H VAL A 26 2.832 2.628 -5.647 1.00 0.45 H new ATOM 0 HA VAL A 26 2.864 -0.213 -5.582 1.00 0.44 H new ATOM 0 HB VAL A 26 2.182 2.034 -3.755 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.042 0.325 -1.925 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.756 0.111 -3.136 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.174 -0.964 -3.144 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.209 1.240 -2.525 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.455 -0.007 -3.771 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.585 1.715 -4.198 1.00 0.62 H new ATOM 417 N LYS A 27 -0.035 1.424 -5.653 1.00 0.40 N ATOM 418 CA LYS A 27 -1.421 1.332 -5.989 1.00 0.41 C ATOM 419 C LYS A 27 -1.649 0.832 -7.374 1.00 0.38 C ATOM 420 O LYS A 27 -2.568 0.028 -7.519 1.00 0.42 O ATOM 421 CB LYS A 27 -2.103 2.702 -5.834 1.00 0.51 C ATOM 422 CG LYS A 27 -2.159 3.036 -4.341 1.00 0.76 C ATOM 423 CD LYS A 27 -3.075 4.230 -4.072 1.00 0.82 C ATOM 424 CE LYS A 27 -3.408 4.370 -2.585 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.470 5.385 -2.403 1.00 1.11 N ATOM 0 H LYS A 27 0.246 2.385 -5.460 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.856 0.610 -5.298 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.547 3.468 -6.375 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.107 2.678 -6.257 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.516 2.169 -3.785 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.155 3.256 -3.978 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.594 5.143 -4.424 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.997 4.116 -4.641 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.736 3.411 -2.184 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.516 4.659 -2.029 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -5.165 5.040 -1.711 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.048 6.271 -2.058 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.944 5.559 -3.312 1.00 1.11 H new ATOM 439 N ALA A 28 -0.837 1.232 -8.370 1.00 0.39 N ATOM 440 CA ALA A 28 -0.920 0.806 -9.732 1.00 0.39 C ATOM 441 C ALA A 28 -0.551 -0.625 -9.926 1.00 0.36 C ATOM 442 O ALA A 28 -1.212 -1.343 -10.674 1.00 0.42 O ATOM 443 CB ALA A 28 0.165 1.576 -10.504 1.00 0.51 C ATOM 0 H ALA A 28 -0.077 1.893 -8.213 1.00 0.39 H new ATOM 0 HA ALA A 28 -1.947 0.970 -10.058 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.141 1.284 -11.554 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.020 2.647 -10.421 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.144 1.344 -10.085 1.00 0.51 H new ATOM 449 N LYS A 29 0.382 -1.205 -9.148 1.00 0.39 N ATOM 450 CA LYS A 29 0.643 -2.603 -9.015 1.00 0.43 C ATOM 451 C LYS A 29 -0.537 -3.343 -8.485 1.00 0.44 C ATOM 452 O LYS A 29 -1.036 -4.314 -9.051 1.00 0.54 O ATOM 453 CB LYS A 29 1.966 -2.857 -8.272 1.00 0.54 C ATOM 454 CG LYS A 29 3.197 -3.137 -9.136 1.00 0.65 C ATOM 455 CD LYS A 29 3.749 -1.973 -9.961 1.00 1.08 C ATOM 456 CE LYS A 29 4.932 -2.464 -10.798 1.00 1.24 C ATOM 457 NZ LYS A 29 5.542 -1.334 -11.535 1.00 1.44 N ATOM 0 H LYS A 29 1.004 -0.646 -8.564 1.00 0.39 H new ATOM 0 HA LYS A 29 0.796 -3.025 -10.008 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.178 -1.988 -7.649 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.822 -3.703 -7.601 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.993 -3.497 -8.484 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.953 -3.950 -9.820 1.00 0.65 H new ATOM 0 HD2 LYS A 29 2.971 -1.571 -10.610 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.065 -1.163 -9.303 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.676 -2.930 -10.151 1.00 1.24 H new ATOM 0 HE3 LYS A 29 4.598 -3.227 -11.500 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.344 -1.680 -12.099 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.833 -0.908 -12.166 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.878 -0.619 -10.858 1.00 1.44 H new ATOM 471 N ILE A 30 -1.084 -2.945 -7.323 1.00 0.41 N ATOM 472 CA ILE A 30 -2.298 -3.490 -6.799 1.00 0.44 C ATOM 473 C ILE A 30 -3.454 -3.448 -7.738 1.00 0.45 C ATOM 474 O ILE A 30 -4.223 -4.406 -7.791 1.00 0.56 O ATOM 475 CB ILE A 30 -2.603 -2.864 -5.470 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.507 -3.164 -4.434 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.859 -3.529 -4.879 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.461 -2.288 -3.183 1.00 1.32 C ATOM 0 H ILE A 30 -0.671 -2.224 -6.731 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.130 -4.557 -6.656 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.706 -1.793 -5.646 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.620 -4.200 -4.115 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.541 -3.088 -4.934 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.088 -3.080 -3.913 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.701 -3.383 -5.556 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.679 -4.596 -4.750 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.641 -2.612 -2.542 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.307 -1.248 -3.472 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.402 -2.378 -2.641 1.00 1.32 H new ATOM 490 N GLN A 31 -3.582 -2.335 -8.483 1.00 0.41 N ATOM 491 CA GLN A 31 -4.616 -2.115 -9.446 1.00 0.48 C ATOM 492 C GLN A 31 -4.660 -3.128 -10.539 1.00 0.52 C ATOM 493 O GLN A 31 -5.710 -3.614 -10.957 1.00 0.66 O ATOM 494 CB GLN A 31 -4.598 -0.730 -10.115 1.00 0.52 C ATOM 495 CG GLN A 31 -5.772 -0.367 -11.024 1.00 0.70 C ATOM 496 CD GLN A 31 -5.561 0.995 -11.672 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.410 1.377 -11.875 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.656 1.658 -12.133 1.00 1.43 N ATOM 0 H GLN A 31 -2.933 -1.551 -8.410 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.506 -2.200 -8.822 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.537 0.022 -9.328 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.683 -0.652 -10.702 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.887 -1.127 -11.797 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.696 -0.359 -10.445 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.590 1.298 -11.937 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.543 2.515 -12.675 1.00 1.43 H new ATOM 507 N ASP A 32 -3.468 -3.547 -10.999 1.00 0.50 N ATOM 508 CA ASP A 32 -3.351 -4.594 -11.966 1.00 0.60 C ATOM 509 C ASP A 32 -3.724 -5.908 -11.367 1.00 0.65 C ATOM 510 O ASP A 32 -4.569 -6.616 -11.911 1.00 0.81 O ATOM 511 CB ASP A 32 -1.918 -4.643 -12.522 1.00 0.67 C ATOM 512 CG ASP A 32 -1.576 -5.711 -13.550 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.880 -5.515 -14.758 1.00 1.55 O ATOM 514 OD2 ASP A 32 -1.108 -6.774 -13.062 1.00 1.51 O ATOM 0 H ASP A 32 -2.576 -3.156 -10.697 1.00 0.50 H new ATOM 0 HA ASP A 32 -4.038 -4.387 -12.786 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.702 -3.672 -12.968 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.239 -4.765 -11.678 1.00 0.67 H new ATOM 519 N LYS A 33 -3.134 -6.381 -10.254 1.00 0.62 N ATOM 520 CA LYS A 33 -3.384 -7.675 -9.699 1.00 0.73 C ATOM 521 C LYS A 33 -4.802 -7.678 -9.240 1.00 0.69 C ATOM 522 O LYS A 33 -5.677 -8.300 -9.841 1.00 0.83 O ATOM 523 CB LYS A 33 -2.475 -7.936 -8.487 1.00 0.85 C ATOM 524 CG LYS A 33 -0.980 -7.908 -8.814 1.00 1.31 C ATOM 525 CD LYS A 33 -0.135 -8.268 -7.592 1.00 1.71 C ATOM 526 CE LYS A 33 1.373 -8.012 -7.630 1.00 2.26 C ATOM 527 NZ LYS A 33 1.909 -8.556 -8.897 1.00 2.62 N ATOM 0 H LYS A 33 -2.455 -5.839 -9.719 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.189 -8.446 -10.444 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.683 -7.188 -7.722 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.725 -8.907 -8.060 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.770 -8.608 -9.623 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.703 -6.916 -9.171 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.540 -7.722 -6.740 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.283 -9.329 -7.391 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.578 -6.944 -7.560 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.860 -8.487 -6.778 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.947 -8.498 -8.888 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.619 -9.550 -8.999 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.538 -8.004 -9.696 1.00 2.62 H new ATOM 541 N GLU A 34 -5.117 -7.028 -8.106 1.00 0.63 N ATOM 542 CA GLU A 34 -6.306 -7.174 -7.325 1.00 0.67 C ATOM 543 C GLU A 34 -7.480 -6.455 -7.896 1.00 0.69 C ATOM 544 O GLU A 34 -8.598 -6.871 -7.598 1.00 0.95 O ATOM 545 CB GLU A 34 -6.064 -6.631 -5.907 1.00 0.73 C ATOM 546 CG GLU A 34 -5.018 -7.406 -5.101 1.00 0.83 C ATOM 547 CD GLU A 34 -5.505 -8.831 -4.876 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.629 -8.983 -4.329 1.00 1.48 O ATOM 549 OE2 GLU A 34 -4.848 -9.841 -5.246 1.00 1.37 O ATOM 0 H GLU A 34 -4.482 -6.340 -7.701 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.535 -8.240 -7.317 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.751 -5.590 -5.979 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.007 -6.643 -5.361 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.067 -7.415 -5.633 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.843 -6.915 -4.144 1.00 0.83 H new ATOM 556 N GLY A 35 -7.260 -5.387 -8.683 1.00 0.63 N ATOM 557 CA GLY A 35 -8.302 -4.792 -9.462 1.00 0.68 C ATOM 558 C GLY A 35 -8.910 -3.649 -8.725 1.00 0.76 C ATOM 559 O GLY A 35 -10.030 -3.297 -9.092 1.00 1.12 O ATOM 0 H GLY A 35 -6.352 -4.932 -8.780 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.901 -4.447 -10.415 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.066 -5.536 -9.688 1.00 0.68 H new ATOM 563 N ILE A 36 -8.357 -3.120 -7.619 1.00 0.70 N ATOM 564 CA ILE A 36 -8.892 -2.085 -6.790 1.00 0.76 C ATOM 565 C ILE A 36 -8.438 -0.770 -7.325 1.00 0.71 C ATOM 566 O ILE A 36 -7.232 -0.567 -7.451 1.00 0.73 O ATOM 567 CB ILE A 36 -8.400 -2.327 -5.393 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.513 -3.819 -5.042 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.239 -1.574 -4.347 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.508 -4.292 -3.992 1.00 1.16 C ATOM 0 H ILE A 36 -7.454 -3.448 -7.276 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.982 -2.082 -6.782 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.368 -1.978 -5.369 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.521 -4.021 -4.681 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.376 -4.406 -5.950 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.847 -1.778 -3.351 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.190 -0.503 -4.544 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.276 -1.906 -4.404 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.654 -5.355 -3.801 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.495 -4.125 -4.357 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -7.657 -3.734 -3.068 1.00 1.16 H new ATOM 582 N PRO A 37 -9.267 0.189 -7.613 1.00 0.75 N ATOM 583 CA PRO A 37 -8.874 1.451 -8.168 1.00 0.79 C ATOM 584 C PRO A 37 -8.096 2.227 -7.162 1.00 0.75 C ATOM 585 O PRO A 37 -8.154 1.900 -5.979 1.00 0.75 O ATOM 586 CB PRO A 37 -10.169 2.108 -8.641 1.00 0.95 C ATOM 587 CG PRO A 37 -11.306 1.358 -7.928 1.00 1.02 C ATOM 588 CD PRO A 37 -10.677 -0.044 -7.889 1.00 0.85 C ATOM 0 HA PRO A 37 -8.196 1.371 -9.018 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.183 3.169 -8.390 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.271 2.035 -9.724 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.514 1.754 -6.934 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.243 1.385 -8.485 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.135 -0.662 -7.116 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.814 -0.566 -8.836 1.00 0.85 H new ATOM 596 N PRO A 38 -7.301 3.217 -7.444 1.00 0.81 N ATOM 597 CA PRO A 38 -6.516 3.699 -6.345 1.00 0.85 C ATOM 598 C PRO A 38 -7.201 4.626 -5.402 1.00 0.89 C ATOM 599 O PRO A 38 -6.664 5.016 -4.367 1.00 0.99 O ATOM 600 CB PRO A 38 -5.403 4.425 -7.098 1.00 1.01 C ATOM 601 CG PRO A 38 -5.969 4.764 -8.486 1.00 1.25 C ATOM 602 CD PRO A 38 -6.872 3.559 -8.791 1.00 0.98 C ATOM 0 HA PRO A 38 -6.220 2.889 -5.679 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.102 5.330 -6.569 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.517 3.796 -7.183 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.531 5.698 -8.476 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.179 4.875 -9.229 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.708 3.818 -9.441 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.332 2.746 -9.275 1.00 0.98 H new ATOM 610 N ASP A 39 -8.432 5.066 -5.723 1.00 0.96 N ATOM 611 CA ASP A 39 -9.190 5.883 -4.828 1.00 1.11 C ATOM 612 C ASP A 39 -9.866 4.993 -3.842 1.00 1.00 C ATOM 613 O ASP A 39 -10.241 5.391 -2.741 1.00 1.14 O ATOM 614 CB ASP A 39 -10.291 6.608 -5.620 1.00 1.39 C ATOM 615 CG ASP A 39 -9.706 7.453 -6.744 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.865 8.327 -6.406 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.085 7.233 -7.925 1.00 2.25 O ATOM 0 H ASP A 39 -8.902 4.855 -6.603 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.533 6.600 -4.335 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.983 5.876 -6.036 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.866 7.244 -4.947 1.00 1.39 H new ATOM 622 N GLN A 40 -10.067 3.703 -4.166 1.00 0.87 N ATOM 623 CA GLN A 40 -10.785 2.765 -3.361 1.00 0.84 C ATOM 624 C GLN A 40 -9.975 2.199 -2.246 1.00 0.67 C ATOM 625 O GLN A 40 -10.543 1.802 -1.230 1.00 0.80 O ATOM 626 CB GLN A 40 -11.366 1.690 -4.295 1.00 0.95 C ATOM 627 CG GLN A 40 -12.289 0.687 -3.599 1.00 1.32 C ATOM 628 CD GLN A 40 -13.174 -0.125 -4.534 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.694 -1.019 -5.230 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.483 0.222 -4.663 1.00 2.02 N ATOM 0 H GLN A 40 -9.712 3.295 -5.031 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.598 3.279 -2.848 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -11.919 2.181 -5.096 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.544 1.147 -4.762 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.679 0.000 -3.012 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.925 1.227 -2.898 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.873 0.964 -4.082 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.074 -0.260 -5.340 1.00 2.02 H new ATOM 639 N GLN A 41 -8.634 2.245 -2.349 1.00 0.56 N ATOM 640 CA GLN A 41 -7.763 1.635 -1.391 1.00 0.51 C ATOM 641 C GLN A 41 -6.993 2.683 -0.664 1.00 0.49 C ATOM 642 O GLN A 41 -6.493 3.626 -1.277 1.00 0.65 O ATOM 643 CB GLN A 41 -6.771 0.711 -2.117 1.00 0.67 C ATOM 644 CG GLN A 41 -6.032 1.182 -3.371 1.00 0.69 C ATOM 645 CD GLN A 41 -5.092 0.146 -3.970 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.024 -0.118 -3.419 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.369 -0.327 -5.214 1.00 0.61 N ATOM 0 H GLN A 41 -8.145 2.714 -3.111 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.362 1.062 -0.683 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.013 0.421 -1.389 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -7.316 -0.193 -2.388 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.765 1.469 -4.125 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -5.459 2.077 -3.127 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.258 -0.101 -5.659 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.688 -0.908 -5.702 1.00 0.61 H new ATOM 656 N ARG A 42 -6.828 2.576 0.666 1.00 0.47 N ATOM 657 CA ARG A 42 -5.968 3.438 1.417 1.00 0.55 C ATOM 658 C ARG A 42 -4.927 2.604 2.080 1.00 0.46 C ATOM 659 O ARG A 42 -5.282 1.572 2.648 1.00 0.52 O ATOM 660 CB ARG A 42 -6.682 4.184 2.556 1.00 0.73 C ATOM 661 CG ARG A 42 -7.697 5.186 2.000 1.00 1.04 C ATOM 662 CD ARG A 42 -9.133 4.724 1.745 1.00 1.28 C ATOM 663 NE ARG A 42 -10.044 5.902 1.683 1.00 1.69 N ATOM 664 CZ ARG A 42 -11.150 6.126 2.451 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.538 5.198 3.373 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.747 7.351 2.368 1.00 2.78 N ATOM 0 H ARG A 42 -7.303 1.874 1.233 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.574 4.165 0.707 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.189 3.468 3.204 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -5.948 4.706 3.170 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.740 6.028 2.691 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.302 5.566 1.058 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.183 4.165 0.810 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -9.453 4.048 2.538 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.817 6.618 0.993 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -11.002 4.338 3.488 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.364 5.364 3.947 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.365 8.064 1.746 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.575 7.554 2.928 1.00 2.78 H new ATOM 680 N LEU A 43 -3.640 2.988 2.019 1.00 0.46 N ATOM 681 CA LEU A 43 -2.540 2.283 2.601 1.00 0.42 C ATOM 682 C LEU A 43 -2.104 3.025 3.819 1.00 0.43 C ATOM 683 O LEU A 43 -1.623 4.156 3.851 1.00 0.55 O ATOM 684 CB LEU A 43 -1.389 2.198 1.586 1.00 0.55 C ATOM 685 CG LEU A 43 -1.689 1.567 0.216 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.334 1.390 -0.489 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.509 0.267 0.229 1.00 1.12 C ATOM 0 H LEU A 43 -3.351 3.839 1.536 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.835 1.269 2.873 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.017 3.208 1.416 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.578 1.633 2.045 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.354 2.241 -0.324 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.490 0.943 -1.471 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.146 2.362 -0.605 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.305 0.739 0.108 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.655 -0.081 -0.794 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.975 -0.494 0.798 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.478 0.453 0.691 1.00 1.12 H new ATOM 699 N ILE A 44 -2.134 2.351 4.983 1.00 0.42 N ATOM 700 CA ILE A 44 -1.811 2.798 6.302 1.00 0.46 C ATOM 701 C ILE A 44 -0.563 2.095 6.712 1.00 0.42 C ATOM 702 O ILE A 44 -0.433 0.876 6.626 1.00 0.53 O ATOM 703 CB ILE A 44 -2.794 2.333 7.335 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.211 2.774 6.932 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.366 2.715 8.762 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.596 4.246 7.069 1.00 1.27 C ATOM 0 H ILE A 44 -2.421 1.372 4.996 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.768 3.886 6.261 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.810 1.244 7.365 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.360 2.491 5.890 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.917 2.193 7.524 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.110 2.356 9.473 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.401 2.261 8.986 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.283 3.799 8.839 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.627 4.384 6.743 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.501 4.551 8.111 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.935 4.854 6.451 1.00 1.27 H new ATOM 718 N PHE A 45 0.407 2.877 7.220 1.00 0.42 N ATOM 719 CA PHE A 45 1.539 2.252 7.829 1.00 0.46 C ATOM 720 C PHE A 45 1.604 2.822 9.206 1.00 0.68 C ATOM 721 O PHE A 45 1.839 4.013 9.402 1.00 1.50 O ATOM 722 CB PHE A 45 2.768 2.618 6.980 1.00 0.56 C ATOM 723 CG PHE A 45 3.974 1.835 7.369 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.046 0.503 7.037 1.00 1.08 C ATOM 725 CD2 PHE A 45 4.996 2.370 8.119 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.085 -0.276 7.490 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.031 1.595 8.586 1.00 1.33 C ATOM 728 CZ PHE A 45 6.064 0.252 8.298 1.00 1.02 C ATOM 0 H PHE A 45 0.412 3.897 7.212 1.00 0.42 H new ATOM 0 HA PHE A 45 1.487 1.165 7.886 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.546 2.441 5.928 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.978 3.682 7.087 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.280 0.064 6.415 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.985 3.426 8.347 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.132 -1.317 7.207 1.00 1.20 H new ATOM 0 HE2 PHE A 45 6.817 2.041 9.178 1.00 1.33 H new ATOM 0 HZ PHE A 45 6.845 -0.377 8.699 1.00 1.02 H new ATOM 738 N ALA A 46 1.478 1.972 10.239 1.00 0.81 N ATOM 739 CA ALA A 46 1.340 2.235 11.639 1.00 0.96 C ATOM 740 C ALA A 46 0.063 2.945 11.931 1.00 0.97 C ATOM 741 O ALA A 46 -0.980 2.315 12.106 1.00 1.21 O ATOM 742 CB ALA A 46 2.621 2.796 12.279 1.00 1.20 C ATOM 0 H ALA A 46 1.473 0.967 10.065 1.00 0.81 H new ATOM 0 HA ALA A 46 1.236 1.287 12.167 1.00 0.96 H new ATOM 0 HB1 ALA A 46 2.450 2.974 13.341 1.00 1.20 H new ATOM 0 HB2 ALA A 46 3.433 2.079 12.157 1.00 1.20 H new ATOM 0 HB3 ALA A 46 2.890 3.734 11.793 1.00 1.20 H new ATOM 748 N GLY A 47 0.141 4.287 11.879 1.00 0.99 N ATOM 749 CA GLY A 47 -0.917 5.220 12.108 1.00 1.10 C ATOM 750 C GLY A 47 -1.301 6.127 10.990 1.00 1.03 C ATOM 751 O GLY A 47 -2.405 6.669 10.949 1.00 1.30 O ATOM 0 H GLY A 47 1.019 4.756 11.658 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.803 4.656 12.400 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.638 5.839 12.960 1.00 1.10 H new ATOM 755 N LYS A 48 -0.384 6.322 10.026 1.00 0.98 N ATOM 756 CA LYS A 48 -0.450 7.252 8.943 1.00 1.05 C ATOM 757 C LYS A 48 -0.754 6.645 7.616 1.00 0.84 C ATOM 758 O LYS A 48 -0.208 5.612 7.230 1.00 0.81 O ATOM 759 CB LYS A 48 0.969 7.815 8.750 1.00 1.42 C ATOM 760 CG LYS A 48 1.468 8.702 9.893 1.00 1.61 C ATOM 761 CD LYS A 48 2.355 9.862 9.439 1.00 1.87 C ATOM 762 CE LYS A 48 3.025 10.719 10.517 1.00 2.22 C ATOM 763 NZ LYS A 48 1.980 11.505 11.208 1.00 2.55 N ATOM 0 H LYS A 48 0.479 5.779 10.005 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.234 7.962 9.207 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.661 6.982 8.626 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.994 8.391 7.825 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.608 9.104 10.429 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.025 8.087 10.600 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.139 9.453 8.802 1.00 1.87 H new ATOM 0 HD3 LYS A 48 1.750 10.521 8.816 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.556 10.086 11.228 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.764 11.383 10.068 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 2.419 12.094 11.945 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 1.494 12.116 10.521 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 1.292 10.859 11.645 1.00 2.55 H new ATOM 777 N GLN A 49 -1.713 7.273 6.913 1.00 0.84 N ATOM 778 CA GLN A 49 -2.011 6.972 5.547 1.00 0.80 C ATOM 779 C GLN A 49 -0.994 7.539 4.618 1.00 0.72 C ATOM 780 O GLN A 49 -0.451 8.597 4.931 1.00 0.83 O ATOM 781 CB GLN A 49 -3.369 7.587 5.171 1.00 1.03 C ATOM 782 CG GLN A 49 -3.862 7.104 3.805 1.00 1.67 C ATOM 783 CD GLN A 49 -5.289 7.565 3.547 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.720 7.857 2.432 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.125 7.502 4.619 1.00 2.48 N ATOM 0 H GLN A 49 -2.298 8.011 7.305 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.020 5.886 5.452 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.106 7.331 5.933 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.284 8.674 5.162 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.206 7.484 3.022 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.814 6.016 3.761 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.757 7.259 5.539 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.119 7.698 4.503 1.00 2.48 H new ATOM 794 N LEU A 50 -0.711 6.810 3.523 1.00 0.69 N ATOM 795 CA LEU A 50 0.372 7.201 2.674 1.00 0.66 C ATOM 796 C LEU A 50 -0.073 7.977 1.484 1.00 0.72 C ATOM 797 O LEU A 50 -1.165 7.755 0.963 1.00 0.90 O ATOM 798 CB LEU A 50 1.212 5.951 2.359 1.00 0.65 C ATOM 799 CG LEU A 50 1.674 5.031 3.502 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.719 4.042 2.962 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.235 5.796 4.712 1.00 0.74 C ATOM 0 H LEU A 50 -1.216 5.973 3.231 1.00 0.69 H new ATOM 0 HA LEU A 50 1.015 7.913 3.192 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.637 5.340 1.663 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.104 6.284 1.829 1.00 0.65 H new ATOM 0 HG LEU A 50 0.795 4.498 3.865 1.00 0.64 H new ATOM 0 HD11 LEU A 50 3.050 3.387 3.768 1.00 0.77 H new ATOM 0 HD12 LEU A 50 2.276 3.443 2.166 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.573 4.594 2.568 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.542 5.087 5.481 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.095 6.389 4.401 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.466 6.456 5.114 1.00 0.74 H new ATOM 813 N GLU A 51 0.678 8.989 1.013 1.00 0.70 N ATOM 814 CA GLU A 51 0.345 9.853 -0.076 1.00 0.76 C ATOM 815 C GLU A 51 0.909 9.480 -1.404 1.00 0.77 C ATOM 816 O GLU A 51 2.024 8.965 -1.474 1.00 1.23 O ATOM 817 CB GLU A 51 0.702 11.336 0.121 1.00 0.88 C ATOM 818 CG GLU A 51 0.151 12.284 -0.947 1.00 1.35 C ATOM 819 CD GLU A 51 -1.335 12.341 -1.268 1.00 1.46 C ATOM 820 OE1 GLU A 51 -2.108 11.803 -0.430 1.00 1.94 O ATOM 821 OE2 GLU A 51 -1.649 12.896 -2.355 1.00 1.89 O ATOM 0 H GLU A 51 1.583 9.218 1.424 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.736 9.713 -0.074 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.332 11.656 1.095 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.787 11.432 0.145 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.453 13.292 -0.662 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.667 12.048 -1.877 1.00 1.35 H new ATOM 828 N ASP A 52 0.119 9.534 -2.492 1.00 0.66 N ATOM 829 CA ASP A 52 0.438 9.097 -3.815 1.00 0.65 C ATOM 830 C ASP A 52 1.737 9.481 -4.438 1.00 0.60 C ATOM 831 O ASP A 52 2.628 8.639 -4.534 1.00 0.62 O ATOM 832 CB ASP A 52 -0.647 9.557 -4.805 1.00 0.81 C ATOM 833 CG ASP A 52 -2.074 9.167 -4.447 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.652 9.604 -3.417 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.711 8.529 -5.328 1.00 1.44 O ATOM 0 H ASP A 52 -0.825 9.917 -2.438 1.00 0.66 H new ATOM 0 HA ASP A 52 0.509 8.022 -3.646 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.597 10.642 -4.892 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.413 9.148 -5.788 1.00 0.81 H new ATOM 840 N GLY A 53 1.985 10.769 -4.732 1.00 0.68 N ATOM 841 CA GLY A 53 3.289 11.210 -5.117 1.00 0.73 C ATOM 842 C GLY A 53 4.340 11.340 -4.068 1.00 0.72 C ATOM 843 O GLY A 53 5.098 12.310 -4.048 1.00 0.97 O ATOM 0 H GLY A 53 1.281 11.507 -4.703 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.661 10.520 -5.874 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.180 12.182 -5.598 1.00 0.73 H new ATOM 847 N ARG A 54 4.546 10.262 -3.293 1.00 0.64 N ATOM 848 CA ARG A 54 5.618 10.167 -2.351 1.00 0.63 C ATOM 849 C ARG A 54 6.242 8.822 -2.499 1.00 0.59 C ATOM 850 O ARG A 54 5.500 7.912 -2.866 1.00 0.62 O ATOM 851 CB ARG A 54 5.091 10.468 -0.938 1.00 0.69 C ATOM 852 CG ARG A 54 4.636 11.908 -0.696 1.00 0.82 C ATOM 853 CD ARG A 54 5.709 12.997 -0.757 1.00 1.18 C ATOM 854 NE ARG A 54 5.108 14.322 -0.436 1.00 1.50 N ATOM 855 CZ ARG A 54 5.762 15.518 -0.357 1.00 2.00 C ATOM 856 NH1 ARG A 54 7.118 15.651 -0.267 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.006 16.650 -0.459 1.00 2.49 N ATOM 0 H ARG A 54 3.952 9.433 -3.321 1.00 0.64 H new ATOM 0 HA ARG A 54 6.396 10.907 -2.537 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.253 9.802 -0.732 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.874 10.227 -0.219 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.868 12.148 -1.431 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.163 11.953 0.285 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.509 12.771 -0.052 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.157 13.023 -1.750 1.00 1.18 H new ATOM 0 HE ARG A 54 4.104 14.337 -0.257 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.712 14.822 -0.255 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.537 16.579 -0.211 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.997 16.579 -0.588 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.450 17.567 -0.406 1.00 2.49 H new ATOM 871 N THR A 55 7.504 8.609 -2.086 1.00 0.63 N ATOM 872 CA THR A 55 8.150 7.335 -2.143 1.00 0.61 C ATOM 873 C THR A 55 7.953 6.477 -0.940 1.00 0.59 C ATOM 874 O THR A 55 7.424 6.874 0.098 1.00 0.64 O ATOM 875 CB THR A 55 9.582 7.346 -2.587 1.00 0.68 C ATOM 876 OG1 THR A 55 10.466 7.725 -1.542 1.00 0.75 O ATOM 877 CG2 THR A 55 9.814 8.334 -3.743 1.00 0.76 C ATOM 0 H THR A 55 8.093 9.347 -1.700 1.00 0.63 H new ATOM 0 HA THR A 55 7.602 6.858 -2.956 1.00 0.61 H new ATOM 0 HB THR A 55 9.788 6.324 -2.905 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.490 8.702 -1.472 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.864 8.312 -4.035 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.194 8.051 -4.594 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.548 9.341 -3.420 1.00 0.76 H new ATOM 885 N LEU A 56 8.391 5.206 -0.935 1.00 0.58 N ATOM 886 CA LEU A 56 8.478 4.337 0.197 1.00 0.59 C ATOM 887 C LEU A 56 9.588 4.725 1.112 1.00 0.64 C ATOM 888 O LEU A 56 9.405 4.649 2.326 1.00 0.70 O ATOM 889 CB LEU A 56 8.541 2.867 -0.254 1.00 0.60 C ATOM 890 CG LEU A 56 7.206 2.394 -0.854 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.481 1.093 -1.627 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.053 2.166 0.137 1.00 1.03 C ATOM 0 H LEU A 56 8.709 4.751 -1.791 1.00 0.58 H new ATOM 0 HA LEU A 56 7.568 4.446 0.788 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.334 2.747 -0.993 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.800 2.237 0.597 1.00 0.60 H new ATOM 0 HG LEU A 56 6.854 3.209 -1.486 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.553 0.728 -2.067 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.206 1.286 -2.417 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.879 0.342 -0.945 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.167 1.835 -0.405 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.341 1.404 0.861 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.832 3.097 0.659 1.00 1.03 H new ATOM 904 N SER A 57 10.747 5.161 0.587 1.00 0.68 N ATOM 905 CA SER A 57 11.893 5.709 1.243 1.00 0.75 C ATOM 906 C SER A 57 11.575 6.917 2.056 1.00 0.76 C ATOM 907 O SER A 57 12.106 7.154 3.140 1.00 0.84 O ATOM 908 CB SER A 57 12.974 6.005 0.191 1.00 0.84 C ATOM 909 OG SER A 57 14.265 6.363 0.664 1.00 1.19 O ATOM 0 H SER A 57 10.894 5.123 -0.422 1.00 0.68 H new ATOM 0 HA SER A 57 12.264 4.971 1.954 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.079 5.123 -0.441 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.612 6.812 -0.446 1.00 0.84 H new ATOM 0 HG SER A 57 14.860 6.524 -0.098 1.00 1.19 H new ATOM 915 N ASP A 58 10.696 7.841 1.629 1.00 0.75 N ATOM 916 CA ASP A 58 10.210 8.987 2.332 1.00 0.78 C ATOM 917 C ASP A 58 9.515 8.622 3.599 1.00 0.77 C ATOM 918 O ASP A 58 9.599 9.289 4.629 1.00 0.86 O ATOM 919 CB ASP A 58 9.250 9.915 1.569 1.00 0.83 C ATOM 920 CG ASP A 58 10.042 10.382 0.357 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.109 11.044 0.451 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.714 10.084 -0.823 1.00 1.86 O ATOM 0 H ASP A 58 10.286 7.776 0.697 1.00 0.75 H new ATOM 0 HA ASP A 58 11.137 9.534 2.502 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.344 9.388 1.270 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.939 10.757 2.187 1.00 0.83 H new ATOM 927 N TYR A 59 8.844 7.458 3.615 1.00 0.72 N ATOM 928 CA TYR A 59 8.102 6.905 4.706 1.00 0.73 C ATOM 929 C TYR A 59 8.899 5.924 5.496 1.00 0.76 C ATOM 930 O TYR A 59 8.473 5.198 6.392 1.00 0.89 O ATOM 931 CB TYR A 59 6.735 6.369 4.249 1.00 0.73 C ATOM 932 CG TYR A 59 5.733 7.413 3.895 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.277 8.331 4.811 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.187 7.378 2.633 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.224 9.172 4.538 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.176 8.271 2.370 1.00 0.70 C ATOM 937 CZ TYR A 59 3.658 9.156 3.285 1.00 0.74 C ATOM 938 OH TYR A 59 2.710 10.119 2.878 1.00 0.86 O ATOM 0 H TYR A 59 8.819 6.853 2.794 1.00 0.72 H new ATOM 0 HA TYR A 59 7.887 7.717 5.400 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.886 5.724 3.383 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.323 5.746 5.043 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.761 8.394 5.775 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.536 6.682 1.885 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.846 9.838 5.299 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.759 8.278 1.374 1.00 0.70 H new ATOM 0 HH TYR A 59 2.975 10.493 2.012 1.00 0.86 H new ATOM 948 N ASN A 60 10.204 5.873 5.178 1.00 0.74 N ATOM 949 CA ASN A 60 11.247 5.059 5.723 1.00 0.79 C ATOM 950 C ASN A 60 10.797 3.639 5.758 1.00 0.75 C ATOM 951 O ASN A 60 10.841 2.992 6.803 1.00 0.86 O ATOM 952 CB ASN A 60 11.705 5.543 7.108 1.00 0.95 C ATOM 953 CG ASN A 60 12.280 6.941 6.934 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.733 7.864 7.535 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.294 7.250 6.082 1.00 1.83 N ATOM 0 H ASN A 60 10.570 6.481 4.446 1.00 0.74 H new ATOM 0 HA ASN A 60 12.120 5.141 5.075 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.868 5.556 7.806 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.455 4.868 7.522 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.578 8.222 5.958 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.771 6.510 5.567 1.00 1.83 H new ATOM 962 N ILE A 61 10.216 3.110 4.665 1.00 0.67 N ATOM 963 CA ILE A 61 9.751 1.763 4.545 1.00 0.65 C ATOM 964 C ILE A 61 10.834 0.905 3.987 1.00 0.66 C ATOM 965 O ILE A 61 11.323 1.053 2.869 1.00 0.75 O ATOM 966 CB ILE A 61 8.493 1.682 3.734 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.302 2.101 4.612 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.320 0.251 3.195 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.006 2.371 3.849 1.00 0.82 C ATOM 0 H ILE A 61 10.063 3.655 3.817 1.00 0.67 H new ATOM 0 HA ILE A 61 9.497 1.391 5.537 1.00 0.65 H new ATOM 0 HB ILE A 61 8.546 2.358 2.881 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.118 1.318 5.347 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.575 3.000 5.165 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.405 0.192 2.605 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.173 -0.007 2.568 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.259 -0.447 4.030 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.224 2.660 4.551 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.166 3.177 3.133 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.702 1.469 3.318 1.00 0.82 H new ATOM 981 N GLN A 62 11.301 -0.043 4.819 1.00 0.67 N ATOM 982 CA GLN A 62 12.367 -0.927 4.466 1.00 0.70 C ATOM 983 C GLN A 62 11.736 -2.191 3.993 1.00 0.62 C ATOM 984 O GLN A 62 10.532 -2.268 3.752 1.00 0.64 O ATOM 985 CB GLN A 62 13.213 -1.125 5.735 1.00 0.85 C ATOM 986 CG GLN A 62 12.426 -1.397 7.018 1.00 1.27 C ATOM 987 CD GLN A 62 13.275 -1.549 8.271 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.811 -2.621 8.546 1.00 2.08 O ATOM 989 NE2 GLN A 62 13.434 -0.521 9.148 1.00 2.16 N ATOM 0 H GLN A 62 10.930 -0.198 5.756 1.00 0.67 H new ATOM 0 HA GLN A 62 13.016 -0.551 3.675 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.898 -1.956 5.567 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.823 -0.234 5.886 1.00 0.85 H new ATOM 0 HG2 GLN A 62 11.719 -0.582 7.173 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.840 -2.306 6.882 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.005 0.384 8.956 1.00 2.16 H new ATOM 0 HE22 GLN A 62 13.982 -0.656 9.998 1.00 2.16 H new ATOM 998 N LYS A 63 12.560 -3.229 3.757 1.00 0.64 N ATOM 999 CA LYS A 63 12.189 -4.541 3.326 1.00 0.62 C ATOM 1000 C LYS A 63 11.388 -5.298 4.328 1.00 0.59 C ATOM 1001 O LYS A 63 11.410 -5.090 5.541 1.00 0.66 O ATOM 1002 CB LYS A 63 13.388 -5.391 2.874 1.00 0.74 C ATOM 1003 CG LYS A 63 14.233 -5.884 4.051 1.00 0.89 C ATOM 1004 CD LYS A 63 15.245 -6.900 3.521 1.00 1.11 C ATOM 1005 CE LYS A 63 16.064 -7.630 4.588 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.234 -8.644 5.278 1.00 2.12 N ATOM 0 H LYS A 63 13.569 -3.140 3.879 1.00 0.64 H new ATOM 0 HA LYS A 63 11.551 -4.359 2.461 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.028 -6.248 2.305 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.014 -4.803 2.203 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.747 -5.048 4.526 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.598 -6.341 4.810 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.712 -7.642 2.926 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.932 -6.386 2.849 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.926 -8.111 4.126 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.449 -6.913 5.313 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.850 -9.304 5.794 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.595 -8.171 5.948 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.674 -9.169 4.577 1.00 2.12 H new ATOM 1020 N GLU A 64 10.415 -6.105 3.866 1.00 0.57 N ATOM 1021 CA GLU A 64 9.540 -6.956 4.609 1.00 0.58 C ATOM 1022 C GLU A 64 8.506 -6.242 5.410 1.00 0.56 C ATOM 1023 O GLU A 64 8.029 -6.805 6.394 1.00 0.70 O ATOM 1024 CB GLU A 64 10.382 -8.027 5.322 1.00 0.72 C ATOM 1025 CG GLU A 64 11.262 -8.829 4.360 1.00 0.96 C ATOM 1026 CD GLU A 64 12.237 -9.780 5.040 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.021 -10.029 6.256 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.209 -10.307 4.436 1.00 1.71 O ATOM 0 H GLU A 64 10.225 -6.164 2.866 1.00 0.57 H new ATOM 0 HA GLU A 64 8.880 -7.492 3.927 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.013 -7.547 6.070 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.719 -8.709 5.854 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.619 -9.404 3.693 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.826 -8.134 3.738 1.00 0.96 H new ATOM 1035 N SER A 65 8.190 -4.965 5.132 1.00 0.51 N ATOM 1036 CA SER A 65 7.294 -4.119 5.858 1.00 0.51 C ATOM 1037 C SER A 65 5.845 -4.337 5.588 1.00 0.43 C ATOM 1038 O SER A 65 5.450 -4.572 4.448 1.00 0.50 O ATOM 1039 CB SER A 65 7.508 -2.617 5.609 1.00 0.65 C ATOM 1040 OG SER A 65 8.831 -2.255 5.976 1.00 1.04 O ATOM 0 H SER A 65 8.597 -4.484 4.330 1.00 0.51 H new ATOM 0 HA SER A 65 7.542 -4.406 6.880 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.335 -2.384 4.558 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.788 -2.037 6.186 1.00 0.65 H new ATOM 0 HG SER A 65 9.409 -2.284 5.185 1.00 1.04 H new ATOM 1046 N THR A 66 4.987 -4.290 6.622 1.00 0.45 N ATOM 1047 CA THR A 66 3.578 -4.450 6.432 1.00 0.45 C ATOM 1048 C THR A 66 2.817 -3.190 6.197 1.00 0.43 C ATOM 1049 O THR A 66 2.515 -2.387 7.079 1.00 0.58 O ATOM 1050 CB THR A 66 2.954 -5.195 7.573 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.661 -6.404 7.809 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.447 -5.447 7.396 1.00 0.78 C ATOM 0 H THR A 66 5.269 -4.141 7.591 1.00 0.45 H new ATOM 0 HA THR A 66 3.505 -5.026 5.510 1.00 0.45 H new ATOM 0 HB THR A 66 3.035 -4.554 8.451 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.248 -6.884 8.557 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.065 -5.991 8.260 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.927 -4.493 7.308 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.280 -6.036 6.494 1.00 0.78 H new ATOM 1060 N LEU A 67 2.431 -2.830 4.960 1.00 0.38 N ATOM 1061 CA LEU A 67 1.457 -1.805 4.754 1.00 0.38 C ATOM 1062 C LEU A 67 0.108 -2.395 4.978 1.00 0.37 C ATOM 1063 O LEU A 67 -0.212 -3.515 4.579 1.00 0.50 O ATOM 1064 CB LEU A 67 1.447 -1.256 3.317 1.00 0.46 C ATOM 1065 CG LEU A 67 2.681 -0.407 2.972 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.920 -1.299 2.784 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.504 0.541 1.773 1.00 1.31 C ATOM 0 H LEU A 67 2.793 -3.249 4.103 1.00 0.38 H new ATOM 0 HA LEU A 67 1.704 -0.994 5.439 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.384 -2.091 2.619 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.550 -0.653 3.174 1.00 0.46 H new ATOM 0 HG LEU A 67 2.824 0.248 3.831 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.782 -0.678 2.540 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.117 -1.847 3.705 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.741 -2.005 1.973 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.428 1.096 1.609 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.266 -0.040 0.882 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.693 1.239 1.978 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.854 -1.652 5.554 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.182 -2.128 5.791 1.00 0.37 C ATOM 1081 C HIS A 68 -3.163 -1.487 4.871 1.00 0.35 C ATOM 1082 O HIS A 68 -3.211 -0.261 4.788 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.673 -1.839 7.219 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.934 -2.708 8.193 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.649 -2.339 8.531 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.258 -3.745 9.012 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.249 -3.187 9.518 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.198 -4.044 9.843 1.00 1.51 N ATOM 0 H HIS A 68 -0.704 -0.692 5.864 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.126 -3.204 5.626 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.516 -0.788 7.462 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.744 -2.026 7.290 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.208 -4.260 9.012 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.727 -3.161 9.979 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.157 -4.772 10.556 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.742 -2.365 4.033 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.670 -1.872 3.064 1.00 0.38 C ATOM 1098 C LEU A 69 -6.067 -1.898 3.585 1.00 0.41 C ATOM 1099 O LEU A 69 -6.622 -2.952 3.888 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.639 -2.717 1.779 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.486 -2.286 0.570 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.847 -2.484 -0.815 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.758 -3.151 0.566 1.00 1.14 C ATOM 0 H LEU A 69 -3.579 -3.372 4.022 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.369 -0.847 2.848 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.602 -2.771 1.449 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.942 -3.729 2.046 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.640 -1.215 0.699 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.538 -2.144 -1.586 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -3.924 -1.908 -0.876 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.626 -3.541 -0.966 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.385 -2.872 -0.281 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -6.483 -4.202 0.483 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.309 -2.992 1.493 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.740 -0.737 3.667 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.083 -0.638 4.146 1.00 0.56 C ATOM 1117 C VAL A 70 -8.834 -0.161 2.951 1.00 0.55 C ATOM 1118 O VAL A 70 -8.420 0.614 2.090 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.273 0.348 5.261 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.738 0.391 5.728 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.378 -0.062 6.443 1.00 0.97 C ATOM 0 H VAL A 70 -6.338 0.159 3.392 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.408 -1.592 4.560 1.00 0.56 H new ATOM 0 HB VAL A 70 -8.003 1.339 4.897 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.841 1.115 6.536 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.377 0.684 4.895 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.035 -0.595 6.084 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.507 0.647 7.260 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.657 -1.060 6.781 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.335 -0.064 6.126 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.107 -0.572 2.806 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.908 -0.145 1.702 1.00 0.84 C ATOM 1133 C LEU A 71 -11.896 0.904 2.078 1.00 0.85 C ATOM 1134 O LEU A 71 -12.118 1.189 3.253 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.649 -1.390 1.184 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.709 -2.469 0.621 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.320 -3.841 0.292 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.922 -1.998 -0.614 1.00 2.78 C ATOM 0 H LEU A 71 -10.581 -1.201 3.454 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.264 0.300 0.944 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.237 -1.818 1.996 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.351 -1.089 0.407 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.054 -2.621 1.479 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.544 -4.501 -0.096 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.748 -4.275 1.196 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.102 -3.721 -0.458 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.277 -2.804 -0.964 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.618 -1.721 -1.405 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.312 -1.134 -0.349 1.00 2.78 H new