USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 22 THR OG1 : rot 180:sc= 0.866 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.509 X(o=1.4,f=1.1) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 157:sc= 0.993 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 157:sc= 0.862 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -146:sc= 2.49 (180deg=2.21) USER MOD Single : A 2 GLN : amide:sc= -0.0748 K(o=-0.075,f=-0.64) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 0.937 (180deg=0.374) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.124 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 2.47 (180deg=2.29) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0285) USER MOD Single : A 31 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.692 K(o=0.69,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -42:sc= 0.725 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.0869 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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 11.388 -7.438 -5.473 1.00 9.67 N ATOM 2 CA MET A 1 11.457 -7.427 -4.005 1.00 10.38 C ATOM 3 C MET A 1 10.093 -7.839 -3.404 1.00 9.62 C ATOM 4 O MET A 1 8.994 -7.645 -3.910 1.00 9.62 O ATOM 5 CB MET A 1 11.950 -6.046 -3.471 1.00 13.77 C ATOM 6 CG MET A 1 12.009 -5.875 -1.908 1.00 16.29 C ATOM 7 SD MET A 1 12.712 -4.270 -1.225 1.00 17.17 S ATOM 8 CE MET A 1 11.269 -3.259 -1.337 1.00 16.11 C ATOM 0 H1 MET A 1 12.307 -7.733 -5.862 1.00 9.67 H new ATOM 0 H2 MET A 1 10.652 -8.105 -5.781 1.00 9.67 H new ATOM 0 H3 MET A 1 11.157 -6.484 -5.817 1.00 9.67 H new ATOM 0 HA MET A 1 12.194 -8.162 -3.683 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.947 -5.862 -3.872 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.297 -5.272 -3.874 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.996 -5.988 -1.521 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.599 -6.697 -1.504 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.497 -2.258 -0.971 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.945 -3.201 -2.376 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.473 -3.693 -0.733 1.00 16.11 H new ATOM 20 N GLN A 2 10.024 -8.521 -2.255 1.00 9.27 N ATOM 21 CA GLN A 2 8.829 -9.087 -1.670 1.00 9.07 C ATOM 22 C GLN A 2 8.346 -8.271 -0.474 1.00 8.72 C ATOM 23 O GLN A 2 9.105 -7.965 0.445 1.00 8.22 O ATOM 24 CB GLN A 2 9.051 -10.525 -1.231 1.00 14.46 C ATOM 25 CG GLN A 2 7.754 -11.347 -0.757 1.00 17.01 C ATOM 26 CD GLN A 2 7.922 -12.826 -0.458 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.319 -13.298 0.507 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.699 -13.546 -1.230 1.00 19.49 N ATOM 0 H GLN A 2 10.853 -8.696 -1.686 1.00 9.27 H new ATOM 0 HA GLN A 2 8.065 -9.064 -2.447 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.512 -11.065 -2.058 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.770 -10.523 -0.412 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.363 -10.867 0.140 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.993 -11.246 -1.531 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.179 -13.112 -2.018 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.824 -14.541 -1.042 1.00 19.49 H new ATOM 37 N ILE A 3 7.053 -7.886 -0.527 1.00 5.87 N ATOM 38 CA ILE A 3 6.463 -7.090 0.572 1.00 5.07 C ATOM 39 C ILE A 3 5.121 -7.641 0.980 1.00 4.01 C ATOM 40 O ILE A 3 4.404 -8.347 0.262 1.00 4.61 O ATOM 41 CB ILE A 3 6.349 -5.599 0.292 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.471 -5.398 -0.946 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.719 -4.885 0.181 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.813 -4.014 -0.999 1.00 10.83 C ATOM 0 H ILE A 3 6.415 -8.104 -1.292 1.00 5.87 H new ATOM 0 HA ILE A 3 7.173 -7.186 1.394 1.00 5.07 H new ATOM 0 HB ILE A 3 5.874 -5.122 1.149 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.077 -5.540 -1.841 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.695 -6.163 -0.962 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.562 -3.825 -0.019 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.266 -5.000 1.117 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.295 -5.326 -0.633 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.204 -3.935 -1.900 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.181 -3.878 -0.121 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.585 -3.244 -1.014 1.00 10.83 H new ATOM 56 N PHE A 4 4.738 -7.258 2.252 1.00 4.55 N ATOM 57 CA PHE A 4 3.514 -7.645 2.904 1.00 4.68 C ATOM 58 C PHE A 4 2.551 -6.477 3.136 1.00 5.30 C ATOM 59 O PHE A 4 2.908 -5.360 3.476 1.00 5.58 O ATOM 60 CB PHE A 4 3.716 -8.380 4.257 1.00 4.83 C ATOM 61 CG PHE A 4 4.786 -9.437 4.280 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.937 -10.312 3.174 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.636 -9.630 5.393 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.801 -11.481 3.243 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.576 -10.727 5.487 1.00 10.61 C ATOM 66 CZ PHE A 4 6.610 -11.672 4.419 1.00 8.90 C ATOM 0 H PHE A 4 5.319 -6.654 2.833 1.00 4.55 H new ATOM 0 HA PHE A 4 3.075 -8.343 2.191 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.950 -7.637 5.020 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.771 -8.842 4.542 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.399 -10.106 2.260 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.582 -8.927 6.211 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.835 -12.190 2.429 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.231 -10.827 6.340 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.249 -12.540 4.493 1.00 8.90 H new ATOM 76 N VAL A 5 1.200 -6.731 2.902 1.00 4.44 N ATOM 77 CA VAL A 5 0.187 -5.743 3.258 1.00 3.87 C ATOM 78 C VAL A 5 -0.652 -6.548 4.246 1.00 4.93 C ATOM 79 O VAL A 5 -0.868 -7.753 3.994 1.00 6.84 O ATOM 80 CB VAL A 5 -0.729 -5.249 2.089 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.901 -4.319 2.562 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.155 -4.426 1.187 1.00 9.13 C ATOM 0 H VAL A 5 0.837 -7.587 2.484 1.00 4.44 H new ATOM 0 HA VAL A 5 0.645 -4.820 3.614 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.179 -6.120 1.613 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.495 -4.015 1.700 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.534 -4.860 3.265 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.490 -3.435 3.050 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.430 -4.051 0.347 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.565 -3.586 1.747 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.970 -5.045 0.813 1.00 9.13 H new ATOM 92 N LYS A 6 -1.177 -5.898 5.332 1.00 6.04 N ATOM 93 CA LYS A 6 -2.141 -6.430 6.291 1.00 6.12 C ATOM 94 C LYS A 6 -3.345 -5.604 6.230 1.00 6.57 C ATOM 95 O LYS A 6 -3.298 -4.362 6.246 1.00 5.76 O ATOM 96 CB LYS A 6 -1.556 -6.387 7.755 1.00 7.45 C ATOM 97 CG LYS A 6 -0.408 -7.325 8.082 1.00 11.12 C ATOM 98 CD LYS A 6 -0.738 -8.793 8.087 1.00 14.54 C ATOM 99 CE LYS A 6 0.372 -9.642 8.746 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.048 -11.027 8.884 1.00 20.55 N ATOM 0 H LYS A 6 -0.910 -4.939 5.554 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.366 -7.467 6.042 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.224 -5.368 7.954 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.370 -6.598 8.448 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.391 -7.155 7.361 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.014 -7.058 9.063 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.676 -8.950 8.619 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.892 -9.132 7.062 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.280 -9.591 8.145 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.616 -9.232 9.726 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.790 -11.639 8.951 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.622 -11.132 9.745 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.613 -11.303 8.055 1.00 20.55 H new ATOM 114 N THR A 7 -4.494 -6.268 6.220 1.00 7.41 N ATOM 115 CA THR A 7 -5.744 -5.510 6.182 1.00 7.48 C ATOM 116 C THR A 7 -6.476 -5.478 7.449 1.00 8.75 C ATOM 117 O THR A 7 -6.117 -6.035 8.486 1.00 8.58 O ATOM 118 CB THR A 7 -6.698 -5.997 5.089 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.333 -7.228 5.407 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.890 -6.314 3.862 1.00 9.17 C ATOM 0 H THR A 7 -4.591 -7.283 6.237 1.00 7.41 H new ATOM 0 HA THR A 7 -5.410 -4.496 5.961 1.00 7.48 H new ATOM 0 HB THR A 7 -7.440 -5.209 4.963 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.930 -7.487 4.674 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.553 -6.663 3.070 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.368 -5.417 3.529 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.163 -7.092 4.096 1.00 9.17 H new ATOM 128 N LEU A 8 -7.624 -4.717 7.478 1.00 9.84 N ATOM 129 CA LEU A 8 -8.391 -4.414 8.633 1.00 14.15 C ATOM 130 C LEU A 8 -8.924 -5.591 9.475 1.00 17.37 C ATOM 131 O LEU A 8 -8.829 -5.653 10.674 1.00 17.01 O ATOM 132 CB LEU A 8 -9.613 -3.542 8.273 1.00 16.63 C ATOM 133 CG LEU A 8 -9.286 -2.254 7.518 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.528 -1.650 6.909 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.581 -1.205 8.405 1.00 18.59 C ATOM 0 H LEU A 8 -8.015 -4.303 6.632 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.653 -3.905 9.253 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.299 -4.136 7.669 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.140 -3.283 9.192 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.594 -2.536 6.725 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.265 -0.735 6.378 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.973 -2.359 6.211 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.244 -1.419 7.697 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.373 -0.311 7.816 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.227 -0.945 9.244 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.645 -1.617 8.782 1.00 18.59 H new ATOM 147 N THR A 9 -9.354 -6.640 8.815 1.00 18.33 N ATOM 148 CA THR A 9 -9.893 -7.852 9.391 1.00 19.24 C ATOM 149 C THR A 9 -8.849 -8.946 9.287 1.00 19.48 C ATOM 150 O THR A 9 -9.132 -10.072 9.618 1.00 23.14 O ATOM 151 CB THR A 9 -11.090 -8.265 8.521 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.828 -8.184 7.136 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.270 -7.334 8.806 1.00 19.70 C ATOM 0 H THR A 9 -9.336 -6.673 7.796 1.00 18.33 H new ATOM 0 HA THR A 9 -10.177 -7.698 10.432 1.00 19.24 H new ATOM 0 HB THR A 9 -11.305 -9.303 8.775 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.624 -8.460 6.636 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.120 -7.625 8.190 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.544 -7.405 9.859 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.988 -6.307 8.573 1.00 19.70 H new ATOM 161 N GLY A 10 -7.545 -8.528 8.916 1.00 19.43 N ATOM 162 CA GLY A 10 -6.333 -9.319 9.016 1.00 18.74 C ATOM 163 C GLY A 10 -5.887 -10.188 7.875 1.00 17.62 C ATOM 164 O GLY A 10 -5.062 -11.068 8.090 1.00 19.74 O ATOM 0 H GLY A 10 -7.369 -7.598 8.536 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.517 -8.629 9.232 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.443 -9.965 9.887 1.00 18.74 H new ATOM 168 N LYS A 11 -6.476 -10.006 6.703 1.00 13.56 N ATOM 169 CA LYS A 11 -6.008 -10.627 5.494 1.00 11.91 C ATOM 170 C LYS A 11 -4.588 -10.233 5.134 1.00 10.18 C ATOM 171 O LYS A 11 -4.253 -9.043 5.286 1.00 9.10 O ATOM 172 CB LYS A 11 -6.951 -10.406 4.294 1.00 13.43 C ATOM 173 CG LYS A 11 -6.886 -11.489 3.248 1.00 16.69 C ATOM 174 CD LYS A 11 -8.165 -11.523 2.379 1.00 17.92 C ATOM 175 CE LYS A 11 -8.122 -12.497 1.184 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.245 -12.121 0.000 1.00 21.93 N ATOM 0 H LYS A 11 -7.298 -9.417 6.573 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.007 -11.694 5.717 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.975 -10.331 4.660 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.709 -9.451 3.827 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.017 -11.327 2.610 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.750 -12.456 3.733 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.010 -11.790 3.014 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.355 -10.518 2.001 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.790 -13.467 1.553 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.141 -12.627 0.819 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.021 -12.974 -0.551 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.750 -11.441 -0.604 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.363 -11.690 0.344 1.00 21.93 H new ATOM 190 N THR A 12 -3.805 -11.181 4.580 1.00 9.63 N ATOM 191 CA THR A 12 -2.381 -10.949 4.375 1.00 9.85 C ATOM 192 C THR A 12 -2.184 -10.936 2.941 1.00 11.66 C ATOM 193 O THR A 12 -2.521 -11.929 2.274 1.00 12.33 O ATOM 194 CB THR A 12 -1.430 -11.842 5.051 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.468 -11.802 6.497 1.00 10.91 O ATOM 196 CG2 THR A 12 0.052 -11.450 4.774 1.00 9.63 C ATOM 0 H THR A 12 -4.137 -12.096 4.275 1.00 9.63 H new ATOM 0 HA THR A 12 -2.139 -10.004 4.861 1.00 9.85 H new ATOM 0 HB THR A 12 -1.734 -12.811 4.656 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.107 -12.639 6.857 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.715 -12.140 5.296 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.247 -11.499 3.703 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.232 -10.435 5.129 1.00 9.63 H new ATOM 204 N ILE A 13 -1.622 -9.865 2.369 1.00 10.42 N ATOM 205 CA ILE A 13 -1.396 -9.833 0.974 1.00 11.84 C ATOM 206 C ILE A 13 0.069 -9.802 0.720 1.00 10.55 C ATOM 207 O ILE A 13 0.710 -8.969 1.302 1.00 11.92 O ATOM 208 CB ILE A 13 -2.030 -8.656 0.383 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.485 -8.492 0.910 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.742 -8.634 -1.120 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.303 -7.438 0.083 1.00 16.46 C ATOM 0 H ILE A 13 -1.327 -9.028 2.872 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.830 -10.723 0.518 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.598 -7.711 0.713 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.994 -9.455 0.871 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.458 -8.188 1.956 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.212 -7.758 -1.568 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.665 -8.591 -1.284 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.143 -9.537 -1.581 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.311 -7.360 0.490 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.811 -6.467 0.143 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.355 -7.754 -0.959 1.00 16.46 H new ATOM 223 N THR A 14 0.563 -10.767 -0.092 1.00 9.39 N ATOM 224 CA THR A 14 2.002 -10.834 -0.413 1.00 9.63 C ATOM 225 C THR A 14 2.040 -10.254 -1.829 1.00 11.20 C ATOM 226 O THR A 14 1.268 -10.581 -2.701 1.00 11.63 O ATOM 227 CB THR A 14 2.599 -12.200 -0.402 1.00 10.38 C ATOM 228 OG1 THR A 14 2.574 -12.787 0.896 1.00 16.30 O ATOM 229 CG2 THR A 14 4.108 -12.032 -0.677 1.00 11.66 C ATOM 0 H THR A 14 -0.004 -11.495 -0.527 1.00 9.39 H new ATOM 0 HA THR A 14 2.591 -10.307 0.337 1.00 9.63 H new ATOM 0 HB THR A 14 2.045 -12.806 -1.119 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.973 -13.681 0.858 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.589 -13.010 -0.678 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.250 -11.556 -1.647 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.552 -11.410 0.100 1.00 11.66 H new ATOM 237 N LEU A 15 2.989 -9.349 -2.058 1.00 8.29 N ATOM 238 CA LEU A 15 3.224 -8.664 -3.379 1.00 9.03 C ATOM 239 C LEU A 15 4.684 -8.765 -3.861 1.00 8.59 C ATOM 240 O LEU A 15 5.609 -9.167 -3.174 1.00 7.79 O ATOM 241 CB LEU A 15 2.762 -7.209 -3.218 1.00 11.08 C ATOM 242 CG LEU A 15 1.302 -6.973 -2.772 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.160 -5.539 -2.456 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.353 -7.482 -3.856 1.00 15.27 C ATOM 0 H LEU A 15 3.641 -9.048 -1.334 1.00 8.29 H new ATOM 0 HA LEU A 15 2.651 -9.163 -4.160 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.418 -6.725 -2.494 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.910 -6.701 -4.171 1.00 11.08 H new ATOM 0 HG LEU A 15 1.041 -7.531 -1.873 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.138 -5.336 -2.137 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.850 -5.273 -1.655 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.387 -4.947 -3.342 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.678 -7.317 -3.544 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.541 -6.945 -4.786 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.518 -8.548 -4.013 1.00 15.27 H new ATOM 256 N GLU A 16 4.872 -8.345 -5.125 1.00 11.04 N ATOM 257 CA GLU A 16 6.165 -8.280 -5.724 1.00 11.50 C ATOM 258 C GLU A 16 6.312 -6.842 -6.267 1.00 10.13 C ATOM 259 O GLU A 16 5.478 -6.338 -7.022 1.00 9.83 O ATOM 260 CB GLU A 16 6.275 -9.196 -6.934 1.00 17.22 C ATOM 261 CG GLU A 16 7.697 -9.406 -7.511 1.00 23.33 C ATOM 262 CD GLU A 16 8.605 -10.041 -6.437 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.310 -11.112 -5.876 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.722 -9.531 -6.171 1.00 28.86 O ATOM 0 H GLU A 16 4.114 -8.047 -5.739 1.00 11.04 H new ATOM 0 HA GLU A 16 6.914 -8.568 -4.987 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.869 -10.171 -6.663 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.641 -8.795 -7.725 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.652 -10.049 -8.390 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.113 -8.452 -7.835 1.00 23.33 H new ATOM 271 N VAL A 17 7.497 -6.236 -5.848 1.00 8.99 N ATOM 272 CA VAL A 17 7.612 -4.779 -6.080 1.00 8.85 C ATOM 273 C VAL A 17 9.076 -4.443 -6.443 1.00 8.04 C ATOM 274 O VAL A 17 10.001 -5.143 -6.108 1.00 8.99 O ATOM 275 CB VAL A 17 7.254 -3.882 -4.859 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.735 -3.824 -4.558 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.987 -4.341 -3.619 1.00 10.54 C ATOM 0 H VAL A 17 8.289 -6.695 -5.399 1.00 8.99 H new ATOM 0 HA VAL A 17 6.894 -4.565 -6.872 1.00 8.85 H new ATOM 0 HB VAL A 17 7.571 -2.876 -5.134 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.559 -3.181 -3.695 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.208 -3.422 -5.423 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.368 -4.828 -4.344 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.720 -3.699 -2.780 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.708 -5.370 -3.391 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.062 -4.286 -3.791 1.00 10.54 H new ATOM 287 N GLU A 18 9.359 -3.305 -7.136 1.00 7.29 N ATOM 288 CA GLU A 18 10.693 -2.683 -7.211 1.00 7.08 C ATOM 289 C GLU A 18 10.819 -1.505 -6.219 1.00 6.45 C ATOM 290 O GLU A 18 9.794 -0.992 -5.846 1.00 5.28 O ATOM 291 CB GLU A 18 11.081 -2.162 -8.618 1.00 10.28 C ATOM 292 CG GLU A 18 11.307 -3.290 -9.641 1.00 12.65 C ATOM 293 CD GLU A 18 12.524 -4.163 -9.398 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.662 -3.563 -9.473 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.444 -5.350 -9.153 1.00 18.17 O ATOM 0 H GLU A 18 8.650 -2.794 -7.662 1.00 7.29 H new ATOM 0 HA GLU A 18 11.378 -3.491 -6.954 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.295 -1.501 -8.983 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.989 -1.564 -8.539 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.422 -3.927 -9.654 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.394 -2.845 -10.632 1.00 12.65 H new ATOM 302 N PRO A 19 11.922 -0.989 -5.751 1.00 7.24 N ATOM 303 CA PRO A 19 11.911 0.133 -4.809 1.00 7.07 C ATOM 304 C PRO A 19 11.614 1.410 -5.464 1.00 6.65 C ATOM 305 O PRO A 19 11.414 2.361 -4.746 1.00 6.37 O ATOM 306 CB PRO A 19 13.414 0.110 -4.344 1.00 7.61 C ATOM 307 CG PRO A 19 14.291 -0.568 -5.458 1.00 8.16 C ATOM 308 CD PRO A 19 13.281 -1.629 -5.878 1.00 7.49 C ATOM 0 HA PRO A 19 11.160 0.043 -4.024 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.764 1.125 -4.156 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.508 -0.438 -3.407 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.559 0.113 -6.266 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.221 -0.989 -5.075 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.463 -1.956 -6.902 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.357 -2.512 -5.243 1.00 7.49 H new ATOM 316 N SER A 20 11.658 1.462 -6.805 1.00 6.80 N ATOM 317 CA SER A 20 11.224 2.574 -7.631 1.00 6.28 C ATOM 318 C SER A 20 9.670 2.582 -7.891 1.00 8.45 C ATOM 319 O SER A 20 9.175 3.418 -8.625 1.00 7.26 O ATOM 320 CB SER A 20 11.987 2.429 -8.954 1.00 8.57 C ATOM 321 OG SER A 20 12.111 1.079 -9.369 1.00 11.13 O ATOM 0 H SER A 20 12.017 0.685 -7.360 1.00 6.80 H new ATOM 0 HA SER A 20 11.433 3.517 -7.126 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.473 2.997 -9.729 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.980 2.864 -8.845 1.00 8.57 H new ATOM 0 HG SER A 20 12.602 1.041 -10.216 1.00 11.13 H new ATOM 327 N ASP A 21 8.925 1.524 -7.482 1.00 7.50 N ATOM 328 CA ASP A 21 7.451 1.548 -7.563 1.00 7.70 C ATOM 329 C ASP A 21 6.896 2.644 -6.656 1.00 7.08 C ATOM 330 O ASP A 21 7.295 2.740 -5.520 1.00 8.11 O ATOM 331 CB ASP A 21 6.825 0.217 -7.115 1.00 11.00 C ATOM 332 CG ASP A 21 6.773 -0.825 -8.257 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.519 -0.392 -9.440 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.017 -2.037 -8.090 1.00 14.36 O ATOM 0 H ASP A 21 9.315 0.662 -7.101 1.00 7.50 H new ATOM 0 HA ASP A 21 7.198 1.730 -8.607 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.399 -0.189 -6.282 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.815 0.399 -6.747 1.00 11.00 H new ATOM 339 N THR A 22 5.864 3.298 -7.105 1.00 5.37 N ATOM 340 CA THR A 22 5.126 4.296 -6.311 1.00 6.01 C ATOM 341 C THR A 22 4.047 3.625 -5.431 1.00 8.01 C ATOM 342 O THR A 22 3.764 2.491 -5.658 1.00 8.11 O ATOM 343 CB THR A 22 4.482 5.446 -7.168 1.00 8.92 C ATOM 344 OG1 THR A 22 3.434 4.934 -7.995 1.00 10.22 O ATOM 345 CG2 THR A 22 5.559 5.957 -8.192 1.00 9.65 C ATOM 0 H THR A 22 5.489 3.167 -8.044 1.00 5.37 H new ATOM 0 HA THR A 22 5.876 4.766 -5.675 1.00 6.01 H new ATOM 0 HB THR A 22 4.119 6.212 -6.482 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.045 5.665 -8.519 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.134 6.757 -8.799 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.426 6.335 -7.650 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.865 5.135 -8.839 1.00 9.65 H new ATOM 353 N ILE A 23 3.502 4.343 -4.419 1.00 8.32 N ATOM 354 CA ILE A 23 2.404 3.948 -3.561 1.00 9.92 C ATOM 355 C ILE A 23 1.150 3.692 -4.421 1.00 10.01 C ATOM 356 O ILE A 23 0.418 2.717 -4.199 1.00 8.71 O ATOM 357 CB ILE A 23 2.112 4.986 -2.430 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.317 5.370 -1.576 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.982 4.486 -1.510 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.187 4.176 -1.134 1.00 12.30 C ATOM 0 H ILE A 23 3.854 5.270 -4.181 1.00 8.32 H new ATOM 0 HA ILE A 23 2.693 3.028 -3.052 1.00 9.92 H new ATOM 0 HB ILE A 23 1.814 5.890 -2.961 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.937 6.069 -2.137 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.966 5.897 -0.689 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.795 5.224 -0.730 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.074 4.339 -2.095 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.276 3.541 -1.053 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.021 4.537 -0.532 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.585 3.486 -0.543 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.571 3.660 -2.014 1.00 12.30 H new ATOM 372 N GLU A 24 0.890 4.521 -5.429 1.00 9.54 N ATOM 373 CA GLU A 24 -0.135 4.217 -6.450 1.00 11.81 C ATOM 374 C GLU A 24 0.108 2.918 -7.299 1.00 11.14 C ATOM 375 O GLU A 24 -0.775 2.078 -7.454 1.00 10.62 O ATOM 376 CB GLU A 24 -0.103 5.471 -7.340 1.00 19.24 C ATOM 377 CG GLU A 24 -0.950 5.306 -8.630 1.00 27.76 C ATOM 378 CD GLU A 24 -1.171 6.615 -9.324 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.245 7.099 -10.002 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.338 7.104 -9.282 1.00 34.80 O ATOM 0 H GLU A 24 1.369 5.410 -5.569 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.094 4.003 -5.977 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.474 6.325 -6.773 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.929 5.693 -7.613 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.448 4.616 -9.308 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.913 4.862 -8.378 1.00 27.76 H new ATOM 387 N ASN A 25 1.446 2.681 -7.668 1.00 9.43 N ATOM 388 CA ASN A 25 1.795 1.363 -8.217 1.00 10.96 C ATOM 389 C ASN A 25 1.437 0.189 -7.237 1.00 9.68 C ATOM 390 O ASN A 25 0.795 -0.738 -7.667 1.00 9.33 O ATOM 391 CB ASN A 25 3.239 1.309 -8.907 1.00 16.78 C ATOM 392 CG ASN A 25 3.137 1.983 -10.282 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.788 1.256 -11.202 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.560 3.284 -10.434 1.00 24.70 N ATOM 0 H ASN A 25 2.212 3.350 -7.589 1.00 9.43 H new ATOM 0 HA ASN A 25 1.138 1.189 -9.069 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.976 1.819 -8.287 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.572 0.276 -9.013 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.597 3.703 -11.363 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.836 3.829 -9.617 1.00 24.70 H new ATOM 401 N VAL A 26 1.700 0.279 -5.891 1.00 6.52 N ATOM 402 CA VAL A 26 1.344 -0.722 -4.940 1.00 5.53 C ATOM 403 C VAL A 26 -0.152 -0.926 -4.812 1.00 4.42 C ATOM 404 O VAL A 26 -0.745 -2.026 -4.812 1.00 3.40 O ATOM 405 CB VAL A 26 1.916 -0.325 -3.602 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.465 -1.356 -2.529 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.421 -0.408 -3.696 1.00 8.12 C ATOM 0 H VAL A 26 2.175 1.080 -5.474 1.00 6.52 H new ATOM 0 HA VAL A 26 1.753 -1.670 -5.288 1.00 5.53 H new ATOM 0 HB VAL A 26 1.581 0.678 -3.337 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.875 -1.075 -1.559 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.377 -1.370 -2.472 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.827 -2.347 -2.802 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.861 -0.125 -2.740 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.714 -1.428 -3.943 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.775 0.270 -4.473 1.00 8.12 H new ATOM 417 N LYS A 27 -0.925 0.146 -4.651 1.00 2.64 N ATOM 418 CA LYS A 27 -2.359 0.077 -4.577 1.00 4.14 C ATOM 419 C LYS A 27 -3.064 -0.486 -5.893 1.00 5.58 C ATOM 420 O LYS A 27 -4.004 -1.256 -5.897 1.00 4.11 O ATOM 421 CB LYS A 27 -3.007 1.457 -4.235 1.00 3.97 C ATOM 422 CG LYS A 27 -2.734 2.093 -2.852 1.00 7.45 C ATOM 423 CD LYS A 27 -3.486 3.501 -2.684 1.00 9.02 C ATOM 424 CE LYS A 27 -3.172 4.509 -3.663 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.151 5.649 -3.547 1.00 15.47 N ATOM 0 H LYS A 27 -0.555 1.093 -4.569 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.532 -0.634 -3.769 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.683 2.169 -4.994 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.087 1.348 -4.340 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.061 1.411 -2.067 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.661 2.236 -2.723 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.561 3.321 -2.710 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.253 3.898 -1.696 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.156 4.873 -3.512 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.213 4.082 -4.665 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.827 6.446 -4.132 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.087 5.337 -3.875 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.215 5.952 -2.554 1.00 15.47 H new ATOM 439 N ALA A 28 -2.469 -0.266 -7.079 1.00 6.61 N ATOM 440 CA ALA A 28 -2.766 -0.951 -8.320 1.00 7.74 C ATOM 441 C ALA A 28 -2.450 -2.429 -8.361 1.00 9.17 C ATOM 442 O ALA A 28 -3.177 -3.272 -8.899 1.00 11.45 O ATOM 443 CB ALA A 28 -1.981 -0.186 -9.438 1.00 7.68 C ATOM 0 H ALA A 28 -1.733 0.432 -7.188 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.847 -0.932 -8.457 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.167 -0.659 -10.402 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.315 0.851 -9.473 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.914 -0.216 -9.219 1.00 7.68 H new ATOM 449 N LYS A 29 -1.384 -2.873 -7.640 1.00 8.96 N ATOM 450 CA LYS A 29 -1.064 -4.240 -7.391 1.00 7.90 C ATOM 451 C LYS A 29 -2.075 -4.925 -6.402 1.00 6.92 C ATOM 452 O LYS A 29 -2.618 -6.031 -6.594 1.00 6.87 O ATOM 453 CB LYS A 29 0.349 -4.401 -6.810 1.00 10.28 C ATOM 454 CG LYS A 29 1.463 -4.067 -7.795 1.00 14.94 C ATOM 455 CD LYS A 29 2.865 -4.024 -7.121 1.00 19.69 C ATOM 456 CE LYS A 29 3.987 -3.442 -8.082 1.00 22.63 C ATOM 457 NZ LYS A 29 4.104 -4.249 -9.262 1.00 24.98 N ATOM 0 H LYS A 29 -0.716 -2.231 -7.213 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.125 -4.728 -8.364 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.447 -3.759 -5.935 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.476 -5.428 -6.468 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.471 -4.808 -8.594 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.257 -3.102 -8.258 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.812 -3.414 -6.219 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.145 -5.030 -6.809 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.742 -2.416 -8.358 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.943 -3.411 -7.559 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.918 -3.927 -9.823 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.242 -5.243 -8.990 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.237 -4.162 -9.829 1.00 24.98 H new ATOM 471 N ILE A 30 -2.482 -4.234 -5.326 1.00 4.57 N ATOM 472 CA ILE A 30 -3.468 -4.668 -4.329 1.00 5.58 C ATOM 473 C ILE A 30 -4.882 -4.837 -5.073 1.00 7.26 C ATOM 474 O ILE A 30 -5.584 -5.813 -4.898 1.00 9.46 O ATOM 475 CB ILE A 30 -3.532 -3.762 -3.121 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.138 -3.660 -2.377 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.720 -4.258 -2.270 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.245 -2.630 -1.193 1.00 2.00 C ATOM 0 H ILE A 30 -2.111 -3.307 -5.119 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.163 -5.628 -3.912 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.718 -2.722 -3.391 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.846 -4.638 -1.996 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.363 -3.346 -3.077 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.814 -3.637 -1.379 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.638 -4.195 -2.855 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.548 -5.293 -1.974 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.284 -2.561 -0.682 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.518 -1.651 -1.586 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.007 -2.963 -0.489 1.00 2.00 H new ATOM 490 N GLN A 31 -5.286 -3.921 -5.966 1.00 7.06 N ATOM 491 CA GLN A 31 -6.441 -3.963 -6.809 1.00 8.67 C ATOM 492 C GLN A 31 -6.402 -5.168 -7.688 1.00 10.90 C ATOM 493 O GLN A 31 -7.412 -5.832 -7.847 1.00 9.63 O ATOM 494 CB GLN A 31 -6.483 -2.675 -7.742 1.00 9.12 C ATOM 495 CG GLN A 31 -7.728 -2.625 -8.677 1.00 10.76 C ATOM 496 CD GLN A 31 -7.485 -1.632 -9.783 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.580 -0.775 -9.694 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.407 -1.647 -10.801 1.00 14.76 N ATOM 0 H GLN A 31 -4.750 -3.066 -6.112 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.322 -3.997 -6.169 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.472 -1.782 -7.116 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.580 -2.648 -8.351 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.921 -3.612 -9.096 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.613 -2.342 -8.107 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.126 -2.370 -10.827 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.372 -0.935 -11.531 1.00 14.76 H new ATOM 507 N ASP A 32 -5.218 -5.597 -8.183 1.00 10.93 N ATOM 508 CA ASP A 32 -5.055 -6.898 -8.892 1.00 14.01 C ATOM 509 C ASP A 32 -5.426 -8.123 -8.128 1.00 14.04 C ATOM 510 O ASP A 32 -6.073 -9.021 -8.625 1.00 13.39 O ATOM 511 CB ASP A 32 -3.767 -6.930 -9.702 1.00 18.01 C ATOM 512 CG ASP A 32 -3.620 -8.204 -10.508 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.402 -8.412 -11.436 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.618 -8.936 -10.335 1.00 25.17 O ATOM 0 H ASP A 32 -4.354 -5.061 -8.106 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.851 -6.947 -9.635 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.744 -6.073 -10.375 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.916 -6.830 -9.029 1.00 18.01 H new ATOM 519 N LYS A 33 -4.969 -8.128 -6.884 1.00 14.22 N ATOM 520 CA LYS A 33 -5.253 -9.183 -5.946 1.00 14.00 C ATOM 521 C LYS A 33 -6.643 -9.130 -5.383 1.00 12.37 C ATOM 522 O LYS A 33 -7.259 -10.198 -5.154 1.00 12.17 O ATOM 523 CB LYS A 33 -4.289 -9.096 -4.765 1.00 18.62 C ATOM 524 CG LYS A 33 -2.758 -9.193 -5.160 1.00 24.00 C ATOM 525 CD LYS A 33 -2.414 -10.653 -5.515 1.00 27.61 C ATOM 526 CE LYS A 33 -0.905 -10.888 -5.740 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.712 -12.316 -6.159 1.00 30.06 N ATOM 0 H LYS A 33 -4.384 -7.386 -6.501 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.143 -10.112 -6.506 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.458 -8.154 -4.243 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.522 -9.896 -4.062 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.548 -8.541 -6.008 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.135 -8.851 -4.333 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.761 -11.306 -4.714 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.957 -10.938 -6.416 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.525 -10.212 -6.506 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.347 -10.681 -4.827 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.300 -12.498 -6.317 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.065 -12.948 -5.412 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.237 -12.494 -7.039 1.00 30.06 H new ATOM 541 N GLU A 34 -7.240 -7.934 -5.047 1.00 10.11 N ATOM 542 CA GLU A 34 -8.487 -7.917 -4.213 1.00 10.07 C ATOM 543 C GLU A 34 -9.616 -7.126 -4.817 1.00 9.32 C ATOM 544 O GLU A 34 -10.749 -7.056 -4.330 1.00 11.61 O ATOM 545 CB GLU A 34 -8.179 -7.231 -2.810 1.00 14.77 C ATOM 546 CG GLU A 34 -6.888 -7.855 -2.067 1.00 18.75 C ATOM 547 CD GLU A 34 -7.067 -9.360 -1.652 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.995 -9.691 -0.908 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.195 -10.231 -2.003 1.00 25.19 O ATOM 0 H GLU A 34 -6.895 -7.016 -5.327 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.790 -8.961 -4.129 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.022 -6.163 -2.962 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.049 -7.337 -2.162 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.023 -7.769 -2.725 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.671 -7.265 -1.177 1.00 18.75 H new ATOM 556 N GLY A 35 -9.354 -6.409 -5.885 1.00 7.22 N ATOM 557 CA GLY A 35 -10.437 -5.681 -6.602 1.00 6.29 C ATOM 558 C GLY A 35 -10.861 -4.358 -6.035 1.00 6.93 C ATOM 559 O GLY A 35 -11.525 -3.591 -6.745 1.00 7.41 O ATOM 0 H GLY A 35 -8.424 -6.299 -6.290 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.114 -5.521 -7.630 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.313 -6.329 -6.641 1.00 6.29 H new ATOM 563 N ILE A 36 -10.525 -3.990 -4.828 1.00 5.86 N ATOM 564 CA ILE A 36 -10.715 -2.677 -4.222 1.00 6.07 C ATOM 565 C ILE A 36 -10.112 -1.519 -5.060 1.00 6.36 C ATOM 566 O ILE A 36 -8.881 -1.547 -5.377 1.00 6.18 O ATOM 567 CB ILE A 36 -9.959 -2.631 -2.909 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.133 -3.892 -1.998 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.342 -1.317 -2.174 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.136 -4.003 -0.859 1.00 9.49 C ATOM 0 H ILE A 36 -10.076 -4.642 -4.185 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.793 -2.546 -4.127 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.895 -2.643 -3.144 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.140 -3.884 -1.580 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.053 -4.784 -2.619 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.809 -1.262 -1.225 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.070 -0.462 -2.793 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.416 -1.304 -1.988 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.338 -4.908 -0.286 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.125 -4.048 -1.264 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.228 -3.133 -0.209 1.00 9.49 H new ATOM 582 N PRO A 37 -10.857 -0.487 -5.431 1.00 8.65 N ATOM 583 CA PRO A 37 -10.355 0.656 -6.208 1.00 9.18 C ATOM 584 C PRO A 37 -9.170 1.382 -5.597 1.00 9.85 C ATOM 585 O PRO A 37 -9.270 1.717 -4.387 1.00 8.51 O ATOM 586 CB PRO A 37 -11.603 1.523 -6.306 1.00 11.42 C ATOM 587 CG PRO A 37 -12.798 0.588 -6.302 1.00 9.27 C ATOM 588 CD PRO A 37 -12.284 -0.461 -5.325 1.00 8.33 C ATOM 0 HA PRO A 37 -9.934 0.357 -7.168 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.655 2.218 -5.468 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.585 2.122 -7.217 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.710 1.074 -5.955 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.012 0.175 -7.288 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.588 -0.218 -4.307 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.703 -1.440 -5.558 1.00 8.33 H new ATOM 596 N PRO A 38 -8.029 1.676 -6.202 1.00 8.71 N ATOM 597 CA PRO A 38 -6.987 2.413 -5.520 1.00 9.08 C ATOM 598 C PRO A 38 -7.237 3.802 -4.974 1.00 9.28 C ATOM 599 O PRO A 38 -6.465 4.348 -4.184 1.00 6.50 O ATOM 600 CB PRO A 38 -5.910 2.431 -6.587 1.00 10.31 C ATOM 601 CG PRO A 38 -6.558 2.251 -7.985 1.00 10.81 C ATOM 602 CD PRO A 38 -7.704 1.340 -7.579 1.00 12.00 C ATOM 0 HA PRO A 38 -6.783 1.922 -4.569 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.361 3.372 -6.548 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.189 1.634 -6.404 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.897 3.191 -8.420 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.885 1.790 -8.708 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.567 1.488 -8.229 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.416 0.292 -7.665 1.00 12.00 H new ATOM 610 N ASP A 39 -8.386 4.445 -5.382 1.00 11.20 N ATOM 611 CA ASP A 39 -8.954 5.531 -4.702 1.00 14.96 C ATOM 612 C ASP A 39 -9.511 5.317 -3.279 1.00 13.99 C ATOM 613 O ASP A 39 -9.420 6.169 -2.394 1.00 13.75 O ATOM 614 CB ASP A 39 -10.073 6.262 -5.486 1.00 24.16 C ATOM 615 CG ASP A 39 -9.484 6.938 -6.683 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.913 8.011 -6.578 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.801 6.452 -7.838 1.00 35.55 O ATOM 0 H ASP A 39 -8.907 4.172 -6.215 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.044 6.124 -4.610 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.838 5.551 -5.797 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.561 6.996 -4.845 1.00 24.16 H new ATOM 622 N GLN A 40 -10.147 4.164 -3.111 1.00 11.60 N ATOM 623 CA GLN A 40 -10.698 3.643 -1.860 1.00 10.76 C ATOM 624 C GLN A 40 -9.578 3.308 -0.909 1.00 8.01 C ATOM 625 O GLN A 40 -9.695 3.428 0.326 1.00 8.96 O ATOM 626 CB GLN A 40 -11.672 2.431 -2.146 1.00 11.14 C ATOM 627 CG GLN A 40 -12.666 2.143 -1.009 1.00 14.85 C ATOM 628 CD GLN A 40 -13.497 0.923 -1.375 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.548 -0.024 -0.594 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.183 0.853 -2.560 1.00 18.16 N ATOM 0 H GLN A 40 -10.303 3.526 -3.892 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.305 4.406 -1.372 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.231 2.635 -3.059 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.077 1.536 -2.330 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.130 1.968 -0.076 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.313 3.005 -0.848 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.148 1.633 -3.216 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.728 0.021 -2.785 1.00 18.16 H new ATOM 639 N GLN A 41 -8.485 2.743 -1.398 1.00 6.52 N ATOM 640 CA GLN A 41 -7.374 2.206 -0.659 1.00 3.87 C ATOM 641 C GLN A 41 -6.417 3.243 -0.109 1.00 4.79 C ATOM 642 O GLN A 41 -6.053 4.159 -0.827 1.00 6.34 O ATOM 643 CB GLN A 41 -6.475 1.296 -1.518 1.00 4.20 C ATOM 644 CG GLN A 41 -7.122 0.074 -2.120 1.00 3.20 C ATOM 645 CD GLN A 41 -6.004 -0.739 -2.795 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.902 -0.878 -2.299 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.285 -1.193 -4.013 1.00 7.13 N ATOM 0 H GLN A 41 -8.350 2.645 -2.404 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.878 1.674 0.147 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.061 1.895 -2.329 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.637 0.969 -0.903 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.619 -0.518 -1.351 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.884 0.359 -2.846 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.218 -1.062 -4.403 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.567 -1.672 -4.557 1.00 7.13 H new ATOM 656 N ARG A 42 -5.919 3.113 1.130 1.00 5.73 N ATOM 657 CA ARG A 42 -4.928 3.947 1.760 1.00 6.97 C ATOM 658 C ARG A 42 -4.004 3.039 2.542 1.00 7.15 C ATOM 659 O ARG A 42 -4.379 2.065 3.127 1.00 7.33 O ATOM 660 CB ARG A 42 -5.583 4.951 2.719 1.00 13.23 C ATOM 661 CG ARG A 42 -6.105 6.162 1.905 1.00 21.27 C ATOM 662 CD ARG A 42 -6.834 7.101 2.857 1.00 26.14 C ATOM 663 NE ARG A 42 -6.777 8.532 2.377 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.390 9.557 3.008 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.228 9.383 4.030 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.177 10.808 2.558 1.00 36.39 N ATOM 0 H ARG A 42 -6.232 2.364 1.748 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.385 4.512 1.002 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.404 4.477 3.257 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.862 5.283 3.466 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.277 6.680 1.422 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.776 5.827 1.114 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.874 6.789 2.951 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.389 7.031 3.850 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.247 8.736 1.530 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.431 8.443 4.369 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.666 10.190 4.473 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.564 10.965 1.758 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.628 11.599 3.017 1.00 36.39 H new ATOM 680 N LEU A 43 -2.658 3.419 2.618 1.00 4.65 N ATOM 681 CA LEU A 43 -1.659 2.519 3.176 1.00 3.51 C ATOM 682 C LEU A 43 -0.981 3.320 4.326 1.00 5.56 C ATOM 683 O LEU A 43 -0.596 4.473 4.229 1.00 4.19 O ATOM 684 CB LEU A 43 -0.620 1.956 2.129 1.00 3.74 C ATOM 685 CG LEU A 43 -1.330 1.166 1.027 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.327 0.955 -0.160 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.917 -0.139 1.546 1.00 6.41 C ATOM 0 H LEU A 43 -2.295 4.318 2.301 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.137 1.608 3.537 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.059 2.780 1.688 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.101 1.314 2.635 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.187 1.734 0.664 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.817 0.393 -0.955 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.009 1.924 -0.544 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.543 0.401 0.193 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.411 -0.666 0.730 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.119 -0.762 1.950 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.642 0.075 2.331 1.00 6.41 H new ATOM 699 N ILE A 44 -0.986 2.721 5.496 1.00 4.58 N ATOM 700 CA ILE A 44 -0.464 3.257 6.726 1.00 5.55 C ATOM 701 C ILE A 44 0.891 2.553 6.908 1.00 5.46 C ATOM 702 O ILE A 44 0.978 1.355 6.823 1.00 6.04 O ATOM 703 CB ILE A 44 -1.389 3.189 7.941 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.824 3.773 7.646 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.636 3.824 9.108 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.984 5.188 7.194 1.00 13.90 C ATOM 0 H ILE A 44 -1.380 1.788 5.618 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.357 4.339 6.653 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.623 2.159 8.211 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.281 3.138 6.887 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.413 3.656 8.556 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.260 3.798 10.001 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.284 3.270 9.292 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.394 4.859 8.865 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.042 5.404 7.043 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.581 5.860 7.952 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.447 5.334 6.257 1.00 13.90 H new ATOM 718 N PHE A 45 2.027 3.245 7.111 1.00 6.75 N ATOM 719 CA PHE A 45 3.292 2.687 7.461 1.00 4.70 C ATOM 720 C PHE A 45 4.154 3.619 8.240 1.00 6.34 C ATOM 721 O PHE A 45 4.065 4.775 7.982 1.00 5.45 O ATOM 722 CB PHE A 45 3.971 2.238 6.068 1.00 5.51 C ATOM 723 CG PHE A 45 5.378 1.817 6.339 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.728 0.479 6.679 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.429 2.736 6.058 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.039 0.055 6.808 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.771 2.390 6.301 1.00 6.64 C ATOM 728 CZ PHE A 45 8.054 1.074 6.692 1.00 6.84 C ATOM 0 H PHE A 45 2.060 4.261 7.024 1.00 6.75 H new ATOM 0 HA PHE A 45 3.163 1.839 8.133 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.410 1.418 5.621 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.953 3.062 5.355 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.936 -0.236 6.843 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.193 3.709 5.654 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.288 -0.981 6.986 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.561 3.118 6.189 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.077 0.811 6.916 1.00 6.84 H new ATOM 738 N ALA A 46 4.795 3.214 9.351 1.00 6.53 N ATOM 739 CA ALA A 46 5.478 4.066 10.239 1.00 7.15 C ATOM 740 C ALA A 46 4.642 5.136 10.940 1.00 9.00 C ATOM 741 O ALA A 46 5.093 6.239 11.160 1.00 11.15 O ATOM 742 CB ALA A 46 6.662 4.678 9.401 1.00 8.99 C ATOM 0 H ALA A 46 4.831 2.235 9.634 1.00 6.53 H new ATOM 0 HA ALA A 46 5.818 3.480 11.093 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.241 5.355 10.029 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.307 3.876 9.042 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.259 5.228 8.550 1.00 8.99 H new ATOM 748 N GLY A 47 3.367 4.778 11.297 1.00 9.35 N ATOM 749 CA GLY A 47 2.475 5.602 12.005 1.00 11.68 C ATOM 750 C GLY A 47 1.852 6.750 11.266 1.00 11.14 C ATOM 751 O GLY A 47 1.295 7.693 11.868 1.00 13.93 O ATOM 0 H GLY A 47 2.970 3.867 11.067 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.671 4.974 12.389 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.004 6.006 12.868 1.00 11.68 H new ATOM 755 N LYS A 48 2.023 6.702 9.922 1.00 10.47 N ATOM 756 CA LYS A 48 1.560 7.763 9.027 1.00 8.82 C ATOM 757 C LYS A 48 0.986 7.179 7.769 1.00 7.68 C ATOM 758 O LYS A 48 1.342 6.074 7.328 1.00 6.47 O ATOM 759 CB LYS A 48 2.698 8.783 8.677 1.00 9.74 C ATOM 760 CG LYS A 48 4.074 8.167 8.310 1.00 14.14 C ATOM 761 CD LYS A 48 5.124 9.215 7.857 1.00 16.32 C ATOM 762 CE LYS A 48 6.574 8.780 8.013 1.00 20.04 C ATOM 763 NZ LYS A 48 7.448 9.922 7.903 1.00 23.92 N ATOM 0 H LYS A 48 2.483 5.929 9.442 1.00 10.47 H new ATOM 0 HA LYS A 48 0.781 8.310 9.558 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.363 9.398 7.842 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.836 9.449 9.528 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.462 7.626 9.173 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.935 7.437 7.513 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.944 9.459 6.810 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.971 10.131 8.428 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.715 8.296 8.980 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.826 8.045 7.249 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.436 9.615 8.011 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.323 10.366 6.971 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.216 10.610 8.648 1.00 23.92 H new ATOM 777 N GLN A 49 0.105 7.959 7.127 1.00 8.89 N ATOM 778 CA GLN A 49 -0.452 7.634 5.840 1.00 7.18 C ATOM 779 C GLN A 49 0.365 7.996 4.591 1.00 8.23 C ATOM 780 O GLN A 49 0.988 9.063 4.519 1.00 9.70 O ATOM 781 CB GLN A 49 -1.812 8.419 5.723 1.00 11.67 C ATOM 782 CG GLN A 49 -2.590 8.134 4.369 1.00 15.82 C ATOM 783 CD GLN A 49 -3.854 9.023 4.357 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.799 8.848 5.133 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.890 10.039 3.479 1.00 20.67 N ATOM 0 H GLN A 49 -0.235 8.843 7.507 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.515 6.546 5.833 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.451 8.151 6.564 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.614 9.488 5.801 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.957 8.357 3.510 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.862 7.081 4.299 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.111 10.186 2.837 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.696 10.663 3.454 1.00 20.67 H new ATOM 794 N LEU A 50 0.423 7.036 3.643 1.00 6.51 N ATOM 795 CA LEU A 50 1.355 7.115 2.576 1.00 7.41 C ATOM 796 C LEU A 50 0.795 7.863 1.369 1.00 8.27 C ATOM 797 O LEU A 50 -0.431 7.933 1.270 1.00 8.34 O ATOM 798 CB LEU A 50 1.803 5.708 2.205 1.00 7.13 C ATOM 799 CG LEU A 50 2.555 4.874 3.279 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.485 3.937 2.557 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.351 5.659 4.293 1.00 9.11 C ATOM 0 H LEU A 50 -0.177 6.212 3.624 1.00 6.51 H new ATOM 0 HA LEU A 50 2.217 7.693 2.910 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.920 5.145 1.904 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.447 5.783 1.329 1.00 7.13 H new ATOM 0 HG LEU A 50 1.784 4.368 3.861 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.030 3.334 3.283 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.908 3.283 1.904 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.192 4.514 1.960 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.831 4.972 4.990 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.113 6.247 3.781 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.685 6.325 4.841 1.00 9.11 H new ATOM 813 N GLU A 51 1.675 8.491 0.553 1.00 9.43 N ATOM 814 CA GLU A 51 1.329 9.475 -0.498 1.00 11.90 C ATOM 815 C GLU A 51 1.593 8.907 -1.886 1.00 11.49 C ATOM 816 O GLU A 51 2.766 8.720 -2.179 1.00 9.88 O ATOM 817 CB GLU A 51 1.933 10.878 -0.177 1.00 16.56 C ATOM 818 CG GLU A 51 1.624 11.899 -1.240 1.00 26.06 C ATOM 819 CD GLU A 51 1.833 13.325 -0.756 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.987 13.591 -0.323 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.817 14.129 -0.774 1.00 32.13 O ATOM 0 H GLU A 51 2.679 8.320 0.611 1.00 9.43 H new ATOM 0 HA GLU A 51 0.255 9.663 -0.503 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.544 11.226 0.780 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.014 10.788 -0.068 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.257 11.717 -2.109 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.591 11.777 -1.567 1.00 26.06 H new ATOM 828 N ASP A 52 0.476 8.696 -2.654 1.00 12.71 N ATOM 829 CA ASP A 52 0.370 8.079 -3.993 1.00 16.56 C ATOM 830 C ASP A 52 1.588 8.186 -5.016 1.00 15.83 C ATOM 831 O ASP A 52 2.162 7.156 -5.410 1.00 17.21 O ATOM 832 CB ASP A 52 -0.821 8.693 -4.747 1.00 21.05 C ATOM 833 CG ASP A 52 -2.147 8.476 -4.079 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.411 8.809 -2.913 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.017 7.879 -4.792 1.00 28.37 O ATOM 0 H ASP A 52 -0.442 8.981 -2.312 1.00 12.71 H new ATOM 0 HA ASP A 52 0.297 7.025 -3.723 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.653 9.764 -4.858 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.859 8.270 -5.751 1.00 21.05 H new ATOM 840 N GLY A 53 2.015 9.405 -5.357 1.00 15.00 N ATOM 841 CA GLY A 53 3.148 9.586 -6.305 1.00 11.77 C ATOM 842 C GLY A 53 4.545 9.338 -5.745 1.00 11.10 C ATOM 843 O GLY A 53 5.470 9.352 -6.572 1.00 11.25 O ATOM 0 H GLY A 53 1.611 10.273 -5.006 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.995 8.917 -7.152 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.111 10.604 -6.692 1.00 11.77 H new ATOM 847 N ARG A 54 4.731 9.229 -4.426 1.00 8.53 N ATOM 848 CA ARG A 54 6.042 8.920 -3.866 1.00 9.05 C ATOM 849 C ARG A 54 6.322 7.410 -3.932 1.00 8.96 C ATOM 850 O ARG A 54 5.466 6.551 -4.052 1.00 11.60 O ATOM 851 CB ARG A 54 6.151 9.284 -2.342 1.00 7.97 C ATOM 852 CG ARG A 54 5.743 10.794 -2.158 1.00 9.62 C ATOM 853 CD ARG A 54 6.067 11.166 -0.710 1.00 12.20 C ATOM 854 NE ARG A 54 5.466 12.468 -0.452 1.00 18.23 N ATOM 855 CZ ARG A 54 6.107 13.563 -0.042 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.389 13.676 0.061 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.486 14.710 0.125 1.00 23.38 N ATOM 0 H ARG A 54 3.992 9.350 -3.733 1.00 8.53 H new ATOM 0 HA ARG A 54 6.746 9.506 -4.457 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.499 8.641 -1.751 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.168 9.120 -1.985 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.292 11.430 -2.853 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.682 10.936 -2.366 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.672 10.417 -0.023 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.145 11.203 -0.555 1.00 12.20 H new ATOM 0 HE ARG A 54 4.460 12.550 -0.599 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.991 12.889 -0.181 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.799 14.552 0.384 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.485 14.780 -0.060 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.005 15.530 0.440 1.00 23.38 H new ATOM 871 N THR A 55 7.643 7.110 -3.900 1.00 9.05 N ATOM 872 CA THR A 55 8.193 5.774 -4.125 1.00 9.03 C ATOM 873 C THR A 55 8.331 4.967 -2.817 1.00 8.15 C ATOM 874 O THR A 55 8.250 5.506 -1.712 1.00 5.91 O ATOM 875 CB THR A 55 9.509 5.746 -5.024 1.00 11.15 C ATOM 876 OG1 THR A 55 10.664 6.453 -4.424 1.00 11.95 O ATOM 877 CG2 THR A 55 9.189 6.366 -6.431 1.00 11.71 C ATOM 0 H THR A 55 8.360 7.811 -3.713 1.00 9.05 H new ATOM 0 HA THR A 55 7.448 5.258 -4.730 1.00 9.03 H new ATOM 0 HB THR A 55 9.802 4.700 -5.110 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.361 7.296 -4.026 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.087 6.349 -7.049 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.404 5.785 -6.915 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.854 7.396 -6.307 1.00 11.71 H new ATOM 885 N LEU A 56 8.686 3.716 -2.971 1.00 6.91 N ATOM 886 CA LEU A 56 8.944 2.779 -1.854 1.00 8.29 C ATOM 887 C LEU A 56 10.250 3.227 -1.221 1.00 8.05 C ATOM 888 O LEU A 56 10.453 3.247 -0.005 1.00 10.17 O ATOM 889 CB LEU A 56 8.807 1.260 -2.278 1.00 6.60 C ATOM 890 CG LEU A 56 7.405 0.713 -2.662 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.526 -0.736 -3.064 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.422 0.823 -1.531 1.00 8.64 C ATOM 0 H LEU A 56 8.812 3.290 -3.889 1.00 6.91 H new ATOM 0 HA LEU A 56 8.178 2.820 -1.080 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.470 1.093 -3.127 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.184 0.653 -1.455 1.00 6.60 H new ATOM 0 HG LEU A 56 7.034 1.317 -3.490 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.543 -1.122 -3.334 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.197 -0.822 -3.919 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.926 -1.313 -2.230 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.457 0.428 -1.848 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.785 0.252 -0.677 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.310 1.869 -1.247 1.00 8.64 H new ATOM 904 N SER A 57 11.179 3.619 -2.088 1.00 8.92 N ATOM 905 CA SER A 57 12.478 4.270 -1.784 1.00 9.00 C ATOM 906 C SER A 57 12.391 5.459 -0.887 1.00 9.44 C ATOM 907 O SER A 57 13.102 5.721 0.044 1.00 10.91 O ATOM 908 CB SER A 57 13.241 4.682 -3.164 1.00 10.32 C ATOM 909 OG SER A 57 14.509 5.246 -2.953 1.00 13.59 O ATOM 0 H SER A 57 11.049 3.488 -3.091 1.00 8.92 H new ATOM 0 HA SER A 57 13.048 3.522 -1.233 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.345 3.797 -3.791 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.623 5.391 -3.714 1.00 10.32 H new ATOM 0 HG SER A 57 14.915 5.470 -3.816 1.00 13.59 H new ATOM 915 N ASP A 58 11.392 6.315 -1.096 1.00 9.11 N ATOM 916 CA ASP A 58 11.182 7.511 -0.322 1.00 7.91 C ATOM 917 C ASP A 58 10.867 7.209 1.195 1.00 9.12 C ATOM 918 O ASP A 58 11.028 8.073 2.033 1.00 8.61 O ATOM 919 CB ASP A 58 10.000 8.458 -0.791 1.00 8.41 C ATOM 920 CG ASP A 58 10.322 9.160 -2.125 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.083 10.191 -2.124 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.820 8.705 -3.158 1.00 11.70 O ATOM 0 H ASP A 58 10.696 6.182 -1.829 1.00 9.11 H new ATOM 0 HA ASP A 58 12.135 8.017 -0.474 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.087 7.873 -0.900 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.809 9.208 -0.023 1.00 8.41 H new ATOM 927 N TYR A 59 10.369 5.990 1.468 1.00 7.97 N ATOM 928 CA TYR A 59 9.927 5.583 2.842 1.00 8.45 C ATOM 929 C TYR A 59 10.902 4.481 3.334 1.00 10.98 C ATOM 930 O TYR A 59 10.670 3.809 4.341 1.00 12.95 O ATOM 931 CB TYR A 59 8.552 4.887 2.692 1.00 7.94 C ATOM 932 CG TYR A 59 7.535 5.938 2.330 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.038 6.769 3.348 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.961 6.068 1.108 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.107 7.794 3.127 1.00 5.39 C ATOM 936 CE2 TYR A 59 6.042 7.028 0.788 1.00 6.52 C ATOM 937 CZ TYR A 59 5.534 7.910 1.836 1.00 6.76 C ATOM 938 OH TYR A 59 4.564 8.878 1.632 1.00 7.63 O ATOM 0 H TYR A 59 10.257 5.260 0.765 1.00 7.97 H new ATOM 0 HA TYR A 59 9.893 6.441 3.514 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.596 4.118 1.921 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.273 4.391 3.621 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.392 6.610 4.356 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.249 5.368 0.338 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.834 8.476 3.919 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.695 7.133 -0.229 1.00 6.52 H new ATOM 0 HH TYR A 59 4.885 9.740 1.971 1.00 7.63 H new ATOM 948 N ASN A 60 12.077 4.275 2.610 1.00 12.38 N ATOM 949 CA ASN A 60 13.181 3.362 3.001 1.00 13.94 C ATOM 950 C ASN A 60 12.745 1.930 3.189 1.00 14.16 C ATOM 951 O ASN A 60 13.313 1.206 4.040 1.00 14.26 O ATOM 952 CB ASN A 60 14.041 3.735 4.254 1.00 19.23 C ATOM 953 CG ASN A 60 14.843 5.032 4.143 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.463 6.065 4.672 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.992 4.976 3.413 1.00 24.09 N ATOM 0 H ASN A 60 12.261 4.757 1.730 1.00 12.38 H new ATOM 0 HA ASN A 60 13.819 3.489 2.126 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.379 3.811 5.117 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.733 2.917 4.454 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.563 5.813 3.296 1.00 24.09 H new ATOM 0 HD22 ASN A 60 16.281 4.097 2.984 1.00 24.09 H new ATOM 962 N ILE A 61 11.741 1.512 2.393 1.00 11.08 N ATOM 963 CA ILE A 61 11.135 0.240 2.549 1.00 11.78 C ATOM 964 C ILE A 61 12.012 -1.020 2.155 1.00 13.74 C ATOM 965 O ILE A 61 12.888 -0.968 1.276 1.00 14.60 O ATOM 966 CB ILE A 61 9.810 0.223 1.824 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.743 0.995 2.645 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.252 -1.185 1.448 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.426 1.314 1.883 1.00 11.42 C ATOM 0 H ILE A 61 11.351 2.070 1.634 1.00 11.08 H new ATOM 0 HA ILE A 61 11.002 0.123 3.625 1.00 11.78 H new ATOM 0 HB ILE A 61 10.018 0.711 0.872 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.498 0.412 3.533 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.181 1.932 2.990 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.298 -1.073 0.932 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.960 -1.694 0.794 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.107 -1.773 2.354 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.746 1.854 2.542 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.650 1.928 1.010 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.957 0.384 1.562 1.00 11.42 H new ATOM 981 N GLN A 62 11.767 -2.101 2.847 1.00 13.97 N ATOM 982 CA GLN A 62 12.599 -3.294 2.861 1.00 15.52 C ATOM 983 C GLN A 62 11.889 -4.618 2.502 1.00 13.94 C ATOM 984 O GLN A 62 10.650 -4.764 2.479 1.00 12.15 O ATOM 985 CB GLN A 62 13.081 -3.502 4.291 1.00 19.53 C ATOM 986 CG GLN A 62 13.843 -2.374 4.930 1.00 26.38 C ATOM 987 CD GLN A 62 15.108 -2.055 4.187 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.942 -2.919 4.073 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.234 -0.831 3.592 1.00 32.71 N ATOM 0 H GLN A 62 10.946 -2.186 3.447 1.00 13.97 H new ATOM 0 HA GLN A 62 13.368 -3.107 2.112 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.212 -3.717 4.913 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.713 -4.390 4.309 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.212 -1.486 4.968 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.084 -2.638 5.960 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.505 -0.128 3.713 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.057 -0.621 3.027 1.00 32.71 H new ATOM 998 N LYS A 63 12.676 -5.682 2.290 1.00 11.73 N ATOM 999 CA LYS A 63 12.081 -6.996 2.126 1.00 11.97 C ATOM 1000 C LYS A 63 11.360 -7.585 3.310 1.00 10.41 C ATOM 1001 O LYS A 63 11.808 -7.470 4.446 1.00 9.59 O ATOM 1002 CB LYS A 63 13.077 -8.054 1.485 1.00 13.73 C ATOM 1003 CG LYS A 63 14.369 -8.279 2.270 1.00 16.98 C ATOM 1004 CD LYS A 63 15.437 -8.932 1.410 1.00 20.19 C ATOM 1005 CE LYS A 63 15.040 -10.385 1.147 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.145 -11.151 0.551 1.00 25.97 N ATOM 0 H LYS A 63 13.694 -5.653 2.231 1.00 11.73 H new ATOM 0 HA LYS A 63 11.282 -6.778 1.417 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.558 -9.007 1.387 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.333 -7.726 0.478 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.737 -7.325 2.647 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.164 -8.907 3.137 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.544 -8.394 0.468 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.403 -8.890 1.912 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.735 -10.854 2.082 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.178 -10.412 0.481 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.839 -12.131 0.387 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.419 -10.718 -0.354 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.959 -11.146 1.198 1.00 25.97 H new ATOM 1020 N GLU A 64 10.200 -8.171 3.074 1.00 10.04 N ATOM 1021 CA GLU A 64 9.257 -8.676 4.038 1.00 10.94 C ATOM 1022 C GLU A 64 8.721 -7.639 4.992 1.00 9.74 C ATOM 1023 O GLU A 64 8.352 -7.947 6.132 1.00 9.42 O ATOM 1024 CB GLU A 64 9.906 -9.936 4.708 1.00 18.31 C ATOM 1025 CG GLU A 64 10.081 -11.093 3.668 1.00 24.16 C ATOM 1026 CD GLU A 64 11.010 -12.167 4.195 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.937 -12.472 5.404 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.794 -12.754 3.384 1.00 32.61 O ATOM 0 H GLU A 64 9.872 -8.315 2.119 1.00 10.04 H new ATOM 0 HA GLU A 64 8.339 -8.978 3.535 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.876 -9.670 5.129 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.282 -10.276 5.534 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.109 -11.530 3.439 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.478 -10.691 2.736 1.00 24.16 H new ATOM 1035 N SER A 65 8.712 -6.398 4.577 1.00 6.85 N ATOM 1036 CA SER A 65 8.156 -5.320 5.344 1.00 6.90 C ATOM 1037 C SER A 65 6.733 -5.199 5.122 1.00 4.72 C ATOM 1038 O SER A 65 6.234 -5.345 3.988 1.00 3.91 O ATOM 1039 CB SER A 65 8.879 -3.966 5.031 1.00 7.28 C ATOM 1040 OG SER A 65 8.525 -3.089 6.102 1.00 10.56 O ATOM 0 H SER A 65 9.099 -6.106 3.679 1.00 6.85 H new ATOM 0 HA SER A 65 8.317 -5.553 6.397 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.959 -4.101 4.975 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.558 -3.562 4.071 1.00 7.28 H new ATOM 0 HG SER A 65 8.951 -2.217 5.965 1.00 10.56 H new ATOM 1046 N THR A 66 6.012 -4.943 6.236 1.00 4.48 N ATOM 1047 CA THR A 66 4.618 -4.915 6.370 1.00 3.80 C ATOM 1048 C THR A 66 3.964 -3.511 6.179 1.00 4.60 C ATOM 1049 O THR A 66 4.400 -2.500 6.660 1.00 5.33 O ATOM 1050 CB THR A 66 4.165 -5.389 7.717 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.730 -6.681 7.855 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.654 -5.526 7.863 1.00 3.40 C ATOM 0 H THR A 66 6.476 -4.737 7.121 1.00 4.48 H new ATOM 0 HA THR A 66 4.296 -5.579 5.568 1.00 3.80 H new ATOM 0 HB THR A 66 4.473 -4.661 8.467 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.476 -7.058 8.723 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.416 -5.874 8.868 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.183 -4.558 7.693 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.282 -6.244 7.133 1.00 3.40 H new ATOM 1060 N LEU A 67 2.925 -3.421 5.337 1.00 4.17 N ATOM 1061 CA LEU A 67 2.102 -2.189 5.285 1.00 3.85 C ATOM 1062 C LEU A 67 0.714 -2.475 5.832 1.00 3.80 C ATOM 1063 O LEU A 67 0.261 -3.610 5.916 1.00 5.54 O ATOM 1064 CB LEU A 67 1.861 -1.681 3.796 1.00 7.18 C ATOM 1065 CG LEU A 67 3.181 -1.446 2.976 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.908 -1.634 1.525 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.713 0.006 3.143 1.00 11.66 C ATOM 0 H LEU A 67 2.634 -4.160 4.697 1.00 4.17 H new ATOM 0 HA LEU A 67 2.647 -1.441 5.862 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.244 -2.410 3.270 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.296 -0.750 3.828 1.00 7.18 H new ATOM 0 HG LEU A 67 3.918 -2.157 3.350 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.825 -1.471 0.958 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.550 -2.648 1.351 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.150 -0.921 1.202 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.626 0.128 2.561 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.961 0.712 2.791 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.925 0.197 4.195 1.00 11.66 H new ATOM 1079 N HIS A 68 0.011 -1.460 6.302 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.355 -1.602 6.837 1.00 4.17 C ATOM 1081 C HIS A 68 -2.360 -0.949 5.909 1.00 5.32 C ATOM 1082 O HIS A 68 -2.166 0.229 5.503 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.342 -0.820 8.181 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.437 -1.407 9.177 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.531 -2.712 9.626 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.699 -0.993 9.781 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.496 -3.033 10.431 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.292 -1.983 10.543 1.00 16.30 N ATOM 0 H HIS A 68 0.363 -0.503 6.329 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.632 -2.650 6.950 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.045 0.212 7.992 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.353 -0.792 8.588 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.101 0.004 9.679 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.646 -3.990 10.908 1.00 14.75 H new ATOM 0 HE2 HIS A 68 2.158 -1.917 11.077 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.472 -1.649 5.583 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.390 -1.158 4.574 1.00 3.97 C ATOM 1098 C LEU A 69 -5.722 -0.770 5.158 1.00 5.07 C ATOM 1099 O LEU A 69 -6.451 -1.547 5.824 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.529 -2.252 3.453 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.661 -1.996 2.352 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.416 -0.751 1.543 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.891 -3.232 1.425 1.00 9.96 C ATOM 0 H LEU A 69 -3.737 -2.539 6.006 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.989 -0.243 4.137 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.570 -2.344 2.943 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.728 -3.210 3.933 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.581 -1.838 2.915 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.216 -0.629 0.812 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.394 0.115 2.205 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.461 -0.836 1.025 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.669 -3.001 0.698 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.965 -3.472 0.902 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.199 -4.086 2.028 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.026 0.500 4.959 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.105 1.187 5.609 1.00 6.26 C ATOM 1117 C VAL A 70 -7.917 1.634 4.418 1.00 9.22 C ATOM 1118 O VAL A 70 -7.400 1.838 3.340 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.696 2.315 6.643 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.746 1.691 7.656 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.032 3.504 5.953 1.00 8.54 C ATOM 0 H VAL A 70 -5.504 1.094 4.315 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.663 0.561 6.306 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.590 2.698 7.134 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.445 2.444 8.384 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.248 0.871 8.169 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.864 1.311 7.141 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.767 4.255 6.697 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.131 3.169 5.438 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.723 3.938 5.230 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.256 1.654 4.571 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.147 1.748 3.351 1.00 16.06 C ATOM 1133 C LEU A 71 -11.128 2.893 3.564 1.00 18.09 C ATOM 1134 O LEU A 71 -11.844 2.897 4.531 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.927 0.501 3.073 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.068 -0.744 2.829 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.877 -2.000 2.854 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.196 -0.719 1.610 1.00 19.57 C ATOM 0 H LEU A 71 -9.743 1.610 5.466 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.496 1.910 2.492 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.593 0.309 3.914 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.557 0.669 2.200 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.379 -0.729 3.673 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.226 -2.856 2.676 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.356 -2.105 3.827 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.640 -1.957 2.077 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.637 -1.652 1.544 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.816 -0.604 0.721 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.500 0.117 1.678 1.00 19.57 H new