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 7 THR OG1 : rot 180:sc= 0.0423 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0511 (180deg=-0.16) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.17 (180deg=2.02) USER MOD Single : A 2 GLN : amide:sc= -0.918 X(o=-0.92,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 0.727 (180deg=0.335) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 25 ASN : amide:sc= 0.0763 K(o=0.076,f=-1.2!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 1.27 (180deg=1.06) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.12) USER MOD Single : A 31 GLN : amide:sc= -0.0464 K(o=-0.046,f=-0.85) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.508 K(o=-0.51,f=-5.7!) 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=-0.036) USER MOD Single : A 55 THR OG1 : rot -44:sc= 1.06 USER MOD Single : A 57 SER OG : rot 55:sc= 1.25 USER MOD Single : A 59 TYR OH : rot 60:sc= 0.899 USER MOD Single : A 60 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1) USER MOD Single : A 62 GLN : amide:sc= 0.54 K(o=0.54,f=-0.028) 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= -0.0819 K(o=-0.082,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.991 -8.007 -5.544 1.00 9.67 N ATOM 2 CA MET A 1 11.184 -8.080 -4.028 1.00 10.38 C ATOM 3 C MET A 1 9.867 -8.167 -3.393 1.00 9.62 C ATOM 4 O MET A 1 8.876 -7.602 -3.888 1.00 9.62 O ATOM 5 CB MET A 1 11.850 -6.773 -3.500 1.00 13.77 C ATOM 6 CG MET A 1 11.879 -6.603 -1.961 1.00 16.29 C ATOM 7 SD MET A 1 12.771 -5.083 -1.474 1.00 17.17 S ATOM 8 CE MET A 1 11.377 -4.116 -0.859 1.00 16.11 C ATOM 0 H1 MET A 1 11.911 -8.115 -6.017 1.00 9.67 H new ATOM 0 H2 MET A 1 10.353 -8.769 -5.850 1.00 9.67 H new ATOM 0 H3 MET A 1 10.578 -7.087 -5.797 1.00 9.67 H new ATOM 0 HA MET A 1 11.809 -8.943 -3.800 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.875 -6.735 -3.870 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.324 -5.921 -3.931 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.859 -6.566 -1.578 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.359 -7.470 -1.507 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.748 -3.282 -0.264 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.800 -3.733 -1.701 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.740 -4.748 -0.240 1.00 16.11 H new ATOM 20 N GLN A 2 9.700 -8.970 -2.362 1.00 9.27 N ATOM 21 CA GLN A 2 8.363 -9.078 -1.826 1.00 9.07 C ATOM 22 C GLN A 2 8.206 -8.265 -0.563 1.00 8.72 C ATOM 23 O GLN A 2 9.083 -8.236 0.270 1.00 8.22 O ATOM 24 CB GLN A 2 8.058 -10.579 -1.560 1.00 14.46 C ATOM 25 CG GLN A 2 8.801 -11.141 -0.339 1.00 17.01 C ATOM 26 CD GLN A 2 8.581 -12.628 -0.075 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.638 -13.067 1.054 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.420 -13.384 -1.194 1.00 19.49 N ATOM 0 H GLN A 2 10.423 -9.524 -1.904 1.00 9.27 H new ATOM 0 HA GLN A 2 7.652 -8.678 -2.549 1.00 9.07 H new ATOM 0 HB2 GLN A 2 6.985 -10.705 -1.414 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.330 -11.160 -2.441 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.869 -10.965 -0.470 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.492 -10.582 0.544 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.382 -12.937 -2.110 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.338 -14.398 -1.117 1.00 19.49 H new ATOM 37 N ILE A 3 7.016 -7.647 -0.437 1.00 5.87 N ATOM 38 CA ILE A 3 6.485 -7.005 0.771 1.00 5.07 C ATOM 39 C ILE A 3 5.067 -7.532 1.005 1.00 4.01 C ATOM 40 O ILE A 3 4.402 -8.090 0.140 1.00 4.61 O ATOM 41 CB ILE A 3 6.375 -5.493 0.727 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.565 -4.880 -0.469 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.821 -4.918 0.729 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.399 -3.374 -0.483 1.00 10.83 C ATOM 0 H ILE A 3 6.367 -7.581 -1.221 1.00 5.87 H new ATOM 0 HA ILE A 3 7.201 -7.247 1.557 1.00 5.07 H new ATOM 0 HB ILE A 3 5.793 -5.209 1.604 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.054 -5.176 -1.397 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.573 -5.331 -0.473 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.780 -3.829 0.698 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.338 -5.236 1.635 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.360 -5.286 -0.144 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.822 -3.080 -1.359 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.876 -3.057 0.419 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.380 -2.900 -0.519 1.00 10.83 H new ATOM 56 N PHE A 4 4.564 -7.267 2.225 1.00 4.55 N ATOM 57 CA PHE A 4 3.260 -7.766 2.645 1.00 4.68 C ATOM 58 C PHE A 4 2.363 -6.591 3.001 1.00 5.30 C ATOM 59 O PHE A 4 2.821 -5.548 3.432 1.00 5.58 O ATOM 60 CB PHE A 4 3.296 -8.643 3.852 1.00 4.83 C ATOM 61 CG PHE A 4 4.402 -9.652 3.664 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.587 -10.524 2.537 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.286 -9.792 4.729 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.624 -11.473 2.475 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.395 -10.633 4.671 1.00 10.61 C ATOM 66 CZ PHE A 4 6.620 -11.436 3.545 1.00 8.90 C ATOM 0 H PHE A 4 5.047 -6.710 2.930 1.00 4.55 H new ATOM 0 HA PHE A 4 2.894 -8.354 1.803 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.471 -8.049 4.749 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.339 -9.147 3.985 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.903 -10.448 1.705 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.106 -9.229 5.633 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.682 -12.195 1.674 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.086 -10.666 5.500 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.523 -12.024 3.468 1.00 8.90 H new ATOM 76 N VAL A 5 1.041 -6.776 2.758 1.00 4.44 N ATOM 77 CA VAL A 5 0.053 -5.767 3.046 1.00 3.87 C ATOM 78 C VAL A 5 -0.975 -6.370 4.021 1.00 4.93 C ATOM 79 O VAL A 5 -1.502 -7.460 3.786 1.00 6.84 O ATOM 80 CB VAL A 5 -0.501 -5.050 1.860 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.650 -4.112 2.254 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.583 -4.204 1.251 1.00 9.13 C ATOM 0 H VAL A 5 0.656 -7.632 2.359 1.00 4.44 H new ATOM 0 HA VAL A 5 0.539 -4.927 3.543 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.872 -5.800 1.161 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.028 -3.607 1.365 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.452 -4.691 2.711 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.287 -3.371 2.966 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.188 -3.676 0.383 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.936 -3.481 1.986 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.411 -4.841 0.942 1.00 9.13 H new ATOM 92 N LYS A 6 -1.239 -5.752 5.151 1.00 6.04 N ATOM 93 CA LYS A 6 -2.173 -6.337 6.190 1.00 6.12 C ATOM 94 C LYS A 6 -3.380 -5.495 6.470 1.00 6.57 C ATOM 95 O LYS A 6 -3.256 -4.314 6.735 1.00 5.76 O ATOM 96 CB LYS A 6 -1.263 -6.428 7.439 1.00 7.45 C ATOM 97 CG LYS A 6 -1.803 -7.239 8.583 1.00 11.12 C ATOM 98 CD LYS A 6 -0.800 -7.309 9.695 1.00 14.54 C ATOM 99 CE LYS A 6 -1.197 -8.301 10.858 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.034 -8.445 11.834 1.00 20.55 N ATOM 0 H LYS A 6 -0.842 -4.848 5.408 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.598 -7.285 5.862 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.305 -6.852 7.138 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.066 -5.417 7.796 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.729 -6.794 8.947 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.046 -8.245 8.241 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.162 -7.614 9.284 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.666 -6.311 10.113 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.078 -7.929 11.381 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.459 -9.275 10.444 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.300 -9.099 12.598 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.796 -8.819 11.332 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.196 -7.515 12.239 1.00 20.55 H new ATOM 114 N THR A 7 -4.511 -6.125 6.391 1.00 7.41 N ATOM 115 CA THR A 7 -5.792 -5.477 6.648 1.00 7.48 C ATOM 116 C THR A 7 -6.187 -5.512 8.118 1.00 8.75 C ATOM 117 O THR A 7 -5.642 -6.336 8.914 1.00 8.58 O ATOM 118 CB THR A 7 -6.947 -6.065 5.744 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.448 -7.352 6.105 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.367 -6.060 4.329 1.00 9.17 C ATOM 0 H THR A 7 -4.588 -7.112 6.145 1.00 7.41 H new ATOM 0 HA THR A 7 -5.652 -4.430 6.377 1.00 7.48 H new ATOM 0 HB THR A 7 -7.838 -5.448 5.862 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.157 -7.614 5.481 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.106 -6.455 3.632 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.109 -5.040 4.045 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.472 -6.682 4.300 1.00 9.17 H new ATOM 128 N LEU A 8 -7.064 -4.619 8.594 1.00 9.84 N ATOM 129 CA LEU A 8 -7.558 -4.578 9.995 1.00 14.15 C ATOM 130 C LEU A 8 -8.182 -5.864 10.344 1.00 17.37 C ATOM 131 O LEU A 8 -8.175 -6.252 11.522 1.00 17.01 O ATOM 132 CB LEU A 8 -8.607 -3.537 10.127 1.00 16.63 C ATOM 133 CG LEU A 8 -8.006 -2.147 10.010 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.175 -1.137 9.908 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.163 -1.703 11.194 1.00 18.59 C ATOM 0 H LEU A 8 -7.465 -3.884 8.011 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.712 -4.366 10.648 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.364 -3.677 9.355 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.110 -3.641 11.089 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.350 -2.179 9.140 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.776 -0.126 9.823 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.777 -1.365 9.029 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.796 -1.208 10.801 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.781 -0.699 11.012 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.775 -1.700 12.096 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.328 -2.391 11.324 1.00 18.59 H new ATOM 147 N THR A 9 -8.818 -6.529 9.385 1.00 18.33 N ATOM 148 CA THR A 9 -9.482 -7.827 9.623 1.00 19.24 C ATOM 149 C THR A 9 -8.557 -9.012 9.429 1.00 19.48 C ATOM 150 O THR A 9 -8.973 -10.186 9.464 1.00 23.14 O ATOM 151 CB THR A 9 -10.801 -8.018 8.862 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.622 -7.731 7.510 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.766 -6.986 9.450 1.00 19.70 C ATOM 0 H THR A 9 -8.893 -6.195 8.424 1.00 18.33 H new ATOM 0 HA THR A 9 -9.751 -7.790 10.679 1.00 19.24 H new ATOM 0 HB THR A 9 -11.165 -9.041 8.954 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.469 -7.858 7.034 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.732 -7.066 8.951 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.892 -7.172 10.517 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.363 -5.984 9.301 1.00 19.70 H new ATOM 161 N GLY A 10 -7.210 -8.818 9.446 1.00 19.43 N ATOM 162 CA GLY A 10 -6.181 -9.883 9.603 1.00 18.74 C ATOM 163 C GLY A 10 -5.911 -10.749 8.345 1.00 17.62 C ATOM 164 O GLY A 10 -5.535 -11.934 8.431 1.00 19.74 O ATOM 0 H GLY A 10 -6.799 -7.890 9.348 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.245 -9.416 9.907 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.487 -10.542 10.416 1.00 18.74 H new ATOM 168 N LYS A 11 -6.109 -10.167 7.111 1.00 13.56 N ATOM 169 CA LYS A 11 -5.750 -10.797 5.849 1.00 11.91 C ATOM 170 C LYS A 11 -4.411 -10.224 5.507 1.00 10.18 C ATOM 171 O LYS A 11 -4.185 -9.039 5.379 1.00 9.10 O ATOM 172 CB LYS A 11 -6.791 -10.441 4.695 1.00 13.43 C ATOM 173 CG LYS A 11 -6.682 -11.347 3.438 1.00 16.69 C ATOM 174 CD LYS A 11 -7.830 -11.032 2.480 1.00 17.92 C ATOM 175 CE LYS A 11 -7.619 -11.843 1.191 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.665 -11.573 0.186 1.00 21.93 N ATOM 0 H LYS A 11 -6.526 -9.243 6.997 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.745 -11.883 5.938 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.801 -10.516 5.097 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.643 -9.403 4.395 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.725 -11.184 2.942 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.715 -12.397 3.730 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.786 -11.287 2.937 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.857 -9.965 2.257 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.642 -11.605 0.770 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.613 -12.907 1.430 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.395 -12.005 -0.721 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.568 -11.978 0.507 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.771 -10.546 0.062 1.00 21.93 H new ATOM 190 N THR A 12 -3.414 -11.125 5.339 1.00 9.63 N ATOM 191 CA THR A 12 -2.146 -10.733 4.821 1.00 9.85 C ATOM 192 C THR A 12 -1.955 -11.112 3.369 1.00 11.66 C ATOM 193 O THR A 12 -1.896 -12.329 3.112 1.00 12.33 O ATOM 194 CB THR A 12 -0.916 -11.146 5.610 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.135 -10.736 6.986 1.00 10.91 O ATOM 196 CG2 THR A 12 0.301 -10.445 5.058 1.00 9.63 C ATOM 0 H THR A 12 -3.494 -12.117 5.563 1.00 9.63 H new ATOM 0 HA THR A 12 -2.209 -9.650 4.925 1.00 9.85 H new ATOM 0 HB THR A 12 -0.753 -12.222 5.544 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.360 -10.988 7.530 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.182 -10.743 5.626 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.435 -10.718 4.011 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.167 -9.366 5.137 1.00 9.63 H new ATOM 204 N ILE A 13 -1.893 -10.109 2.512 1.00 10.42 N ATOM 205 CA ILE A 13 -1.567 -10.318 1.124 1.00 11.84 C ATOM 206 C ILE A 13 -0.092 -10.015 0.819 1.00 10.55 C ATOM 207 O ILE A 13 0.523 -9.071 1.323 1.00 11.92 O ATOM 208 CB ILE A 13 -2.468 -9.558 0.170 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.637 -8.094 0.630 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.814 -10.321 0.278 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.428 -7.321 -0.426 1.00 16.46 C ATOM 0 H ILE A 13 -2.067 -9.135 2.762 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.743 -11.380 0.953 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.077 -9.512 -0.847 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.156 -8.059 1.588 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.661 -7.633 0.780 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.550 -9.855 -0.377 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.669 -11.359 -0.021 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.170 -10.286 1.308 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.549 -6.287 -0.105 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.890 -7.346 -1.374 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.409 -7.779 -0.553 1.00 16.46 H new ATOM 223 N THR A 14 0.509 -10.810 -0.122 1.00 9.39 N ATOM 224 CA THR A 14 1.841 -10.693 -0.503 1.00 9.63 C ATOM 225 C THR A 14 1.905 -9.997 -1.818 1.00 11.20 C ATOM 226 O THR A 14 1.396 -10.554 -2.797 1.00 11.63 O ATOM 227 CB THR A 14 2.496 -12.073 -0.778 1.00 10.38 C ATOM 228 OG1 THR A 14 2.521 -12.809 0.446 1.00 16.30 O ATOM 229 CG2 THR A 14 4.051 -11.960 -0.982 1.00 11.66 C ATOM 0 H THR A 14 0.013 -11.553 -0.614 1.00 9.39 H new ATOM 0 HA THR A 14 2.349 -10.171 0.308 1.00 9.63 H new ATOM 0 HB THR A 14 1.949 -12.490 -1.624 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.931 -13.686 0.292 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.466 -12.950 -1.172 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.260 -11.310 -1.832 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.506 -11.542 -0.084 1.00 11.66 H new ATOM 237 N LEU A 15 2.722 -8.893 -1.893 1.00 8.29 N ATOM 238 CA LEU A 15 3.001 -8.163 -3.075 1.00 9.03 C ATOM 239 C LEU A 15 4.405 -8.264 -3.615 1.00 8.59 C ATOM 240 O LEU A 15 5.368 -8.215 -2.852 1.00 7.79 O ATOM 241 CB LEU A 15 2.630 -6.670 -3.041 1.00 11.08 C ATOM 242 CG LEU A 15 1.399 -6.214 -2.277 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.292 -4.711 -2.333 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.105 -6.809 -2.837 1.00 15.27 C ATOM 0 H LEU A 15 3.198 -8.514 -1.074 1.00 8.29 H new ATOM 0 HA LEU A 15 2.330 -8.691 -3.753 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.485 -6.132 -2.631 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.512 -6.341 -4.073 1.00 11.08 H new ATOM 0 HG LEU A 15 1.519 -6.562 -1.251 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.408 -4.388 -1.784 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.180 -4.266 -1.884 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.211 -4.390 -3.372 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.743 -6.450 -2.254 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.015 -6.505 -3.877 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.150 -7.897 -2.780 1.00 15.27 H new ATOM 256 N GLU A 16 4.540 -8.303 -4.910 1.00 11.04 N ATOM 257 CA GLU A 16 5.868 -8.334 -5.591 1.00 11.50 C ATOM 258 C GLU A 16 6.136 -6.961 -6.143 1.00 10.13 C ATOM 259 O GLU A 16 5.387 -6.437 -6.962 1.00 9.83 O ATOM 260 CB GLU A 16 5.923 -9.435 -6.705 1.00 17.22 C ATOM 261 CG GLU A 16 7.321 -9.712 -7.332 1.00 23.33 C ATOM 262 CD GLU A 16 8.073 -10.641 -6.426 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.672 -11.778 -6.103 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.173 -10.217 -5.987 1.00 28.90 O ATOM 0 H GLU A 16 3.749 -8.315 -5.554 1.00 11.04 H new ATOM 0 HA GLU A 16 6.646 -8.600 -4.876 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.546 -10.367 -6.284 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.240 -9.147 -7.505 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.211 -10.155 -8.322 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.871 -8.779 -7.459 1.00 23.33 H new ATOM 271 N VAL A 17 7.190 -6.269 -5.690 1.00 8.99 N ATOM 272 CA VAL A 17 7.520 -4.811 -5.842 1.00 8.85 C ATOM 273 C VAL A 17 8.958 -4.638 -6.112 1.00 8.04 C ATOM 274 O VAL A 17 9.811 -5.526 -5.844 1.00 8.99 O ATOM 275 CB VAL A 17 7.153 -3.986 -4.552 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.654 -4.125 -4.142 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.037 -4.416 -3.364 1.00 10.54 C ATOM 0 H VAL A 17 7.915 -6.745 -5.153 1.00 8.99 H new ATOM 0 HA VAL A 17 6.927 -4.438 -6.677 1.00 8.85 H new ATOM 0 HB VAL A 17 7.334 -2.941 -4.803 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.465 -3.533 -3.246 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.020 -3.767 -4.953 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.428 -5.172 -3.939 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.769 -3.835 -2.482 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.883 -5.476 -3.161 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.085 -4.242 -3.608 1.00 10.54 H new ATOM 287 N GLU A 18 9.391 -3.434 -6.605 1.00 7.29 N ATOM 288 CA GLU A 18 10.780 -2.975 -6.558 1.00 7.08 C ATOM 289 C GLU A 18 10.821 -1.724 -5.658 1.00 6.45 C ATOM 290 O GLU A 18 9.866 -0.981 -5.632 1.00 5.28 O ATOM 291 CB GLU A 18 11.165 -2.364 -7.926 1.00 10.28 C ATOM 292 CG GLU A 18 11.187 -3.346 -9.212 1.00 12.65 C ATOM 293 CD GLU A 18 11.773 -4.715 -8.985 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.870 -4.795 -8.427 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.086 -5.696 -9.256 1.00 18.17 O ATOM 0 H GLU A 18 8.762 -2.763 -7.047 1.00 7.29 H new ATOM 0 HA GLU A 18 11.409 -3.809 -6.247 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.470 -1.551 -8.137 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.155 -1.919 -7.827 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.165 -3.465 -9.572 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.750 -2.858 -10.008 1.00 12.65 H new ATOM 302 N PRO A 19 11.957 -1.392 -4.974 1.00 7.24 N ATOM 303 CA PRO A 19 11.984 -0.247 -4.058 1.00 7.07 C ATOM 304 C PRO A 19 11.826 1.119 -4.755 1.00 6.65 C ATOM 305 O PRO A 19 11.817 2.163 -4.113 1.00 6.37 O ATOM 306 CB PRO A 19 13.418 -0.307 -3.415 1.00 7.61 C ATOM 307 CG PRO A 19 13.865 -1.766 -3.628 1.00 8.16 C ATOM 308 CD PRO A 19 13.161 -2.161 -4.963 1.00 7.49 C ATOM 0 HA PRO A 19 11.153 -0.318 -3.356 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.100 0.393 -3.897 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.391 -0.049 -2.356 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.949 -1.848 -3.704 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.554 -2.407 -2.803 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.787 -1.931 -5.825 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.950 -3.230 -4.999 1.00 7.49 H new ATOM 316 N SER A 20 11.670 1.185 -6.087 1.00 6.80 N ATOM 317 CA SER A 20 11.556 2.383 -6.879 1.00 6.28 C ATOM 318 C SER A 20 10.127 2.536 -7.350 1.00 8.45 C ATOM 319 O SER A 20 9.756 3.514 -8.020 1.00 7.26 O ATOM 320 CB SER A 20 12.418 2.330 -8.168 1.00 8.57 C ATOM 321 OG SER A 20 12.060 1.160 -8.921 1.00 11.13 O ATOM 0 H SER A 20 11.619 0.342 -6.659 1.00 6.80 H new ATOM 0 HA SER A 20 11.889 3.203 -6.243 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.257 3.227 -8.766 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.477 2.304 -7.912 1.00 8.57 H new ATOM 0 HG SER A 20 12.599 1.120 -9.738 1.00 11.13 H new ATOM 327 N ASP A 21 9.228 1.514 -7.048 1.00 7.50 N ATOM 328 CA ASP A 21 7.781 1.585 -7.289 1.00 7.70 C ATOM 329 C ASP A 21 7.111 2.659 -6.448 1.00 7.08 C ATOM 330 O ASP A 21 7.386 2.837 -5.235 1.00 8.11 O ATOM 331 CB ASP A 21 7.094 0.284 -6.837 1.00 11.00 C ATOM 332 CG ASP A 21 7.041 -0.701 -7.966 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.499 -0.348 -9.016 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.528 -1.825 -7.688 1.00 18.03 O ATOM 0 H ASP A 21 9.521 0.631 -6.631 1.00 7.50 H new ATOM 0 HA ASP A 21 7.678 1.782 -8.356 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.636 -0.147 -5.995 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.084 0.501 -6.488 1.00 11.00 H new ATOM 339 N THR A 22 6.171 3.406 -7.115 1.00 5.37 N ATOM 340 CA THR A 22 5.219 4.437 -6.424 1.00 6.01 C ATOM 341 C THR A 22 4.158 3.721 -5.599 1.00 8.01 C ATOM 342 O THR A 22 3.661 2.620 -5.880 1.00 8.11 O ATOM 343 CB THR A 22 4.628 5.523 -7.343 1.00 8.92 C ATOM 344 OG1 THR A 22 3.687 4.935 -8.216 1.00 10.22 O ATOM 345 CG2 THR A 22 5.717 6.237 -8.145 1.00 9.65 C ATOM 0 H THR A 22 6.027 3.338 -8.123 1.00 5.37 H new ATOM 0 HA THR A 22 5.857 5.011 -5.752 1.00 6.01 H new ATOM 0 HB THR A 22 4.138 6.271 -6.719 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.308 5.624 -8.801 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.262 6.996 -8.781 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.421 6.712 -7.461 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.246 5.513 -8.765 1.00 9.65 H new ATOM 353 N ILE A 23 3.657 4.467 -4.611 1.00 8.32 N ATOM 354 CA ILE A 23 2.510 4.035 -3.820 1.00 9.92 C ATOM 355 C ILE A 23 1.297 3.888 -4.647 1.00 10.01 C ATOM 356 O ILE A 23 0.518 2.991 -4.382 1.00 8.71 O ATOM 357 CB ILE A 23 2.451 5.074 -2.689 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.731 5.002 -1.713 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.125 5.020 -1.785 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.068 3.769 -0.968 1.00 12.30 C ATOM 0 H ILE A 23 4.032 5.376 -4.342 1.00 8.32 H new ATOM 0 HA ILE A 23 2.595 3.033 -3.399 1.00 9.92 H new ATOM 0 HB ILE A 23 2.442 6.019 -3.231 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.603 5.256 -2.315 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.611 5.795 -0.975 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.177 5.791 -1.016 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.250 5.192 -2.412 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.046 4.041 -1.313 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.965 3.938 -0.372 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.240 3.503 -0.310 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.247 2.956 -1.672 1.00 12.30 H new ATOM 372 N GLU A 24 1.066 4.695 -5.656 1.00 9.54 N ATOM 373 CA GLU A 24 0.023 4.395 -6.678 1.00 11.81 C ATOM 374 C GLU A 24 0.180 3.022 -7.391 1.00 11.14 C ATOM 375 O GLU A 24 -0.837 2.485 -7.790 1.00 10.62 O ATOM 376 CB GLU A 24 -0.037 5.543 -7.693 1.00 19.24 C ATOM 377 CG GLU A 24 -1.245 5.547 -8.644 1.00 27.76 C ATOM 378 CD GLU A 24 -1.566 6.919 -9.306 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.963 7.159 -10.400 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.429 7.726 -8.900 1.00 36.51 O ATOM 0 H GLU A 24 1.570 5.567 -5.813 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.921 4.312 -6.139 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.029 6.485 -7.145 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.872 5.517 -8.294 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.069 4.815 -9.432 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.123 5.215 -8.091 1.00 27.76 H new ATOM 387 N ASN A 25 1.382 2.442 -7.592 1.00 9.43 N ATOM 388 CA ASN A 25 1.628 1.121 -8.169 1.00 10.96 C ATOM 389 C ASN A 25 1.294 0.075 -7.189 1.00 9.68 C ATOM 390 O ASN A 25 0.839 -0.987 -7.593 1.00 9.33 O ATOM 391 CB ASN A 25 3.126 0.799 -8.489 1.00 16.78 C ATOM 392 CG ASN A 25 3.594 1.780 -9.567 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.790 2.214 -10.462 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.897 1.893 -9.724 1.00 24.70 N ATOM 0 H ASN A 25 2.249 2.916 -7.339 1.00 9.43 H new ATOM 0 HA ASN A 25 1.030 1.135 -9.080 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.738 0.896 -7.592 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.230 -0.229 -8.836 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.273 2.330 -10.565 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.530 1.544 -9.004 1.00 24.70 H new ATOM 401 N VAL A 26 1.536 0.270 -5.887 1.00 6.52 N ATOM 402 CA VAL A 26 1.224 -0.661 -4.791 1.00 5.53 C ATOM 403 C VAL A 26 -0.361 -0.921 -4.715 1.00 4.42 C ATOM 404 O VAL A 26 -0.748 -2.081 -4.693 1.00 3.40 O ATOM 405 CB VAL A 26 1.754 -0.223 -3.422 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.538 -1.324 -2.387 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.277 -0.011 -3.510 1.00 8.12 C ATOM 0 H VAL A 26 1.978 1.125 -5.550 1.00 6.52 H new ATOM 0 HA VAL A 26 1.747 -1.587 -5.031 1.00 5.53 H new ATOM 0 HB VAL A 26 1.229 0.688 -3.136 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.921 -0.995 -1.421 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.473 -1.539 -2.301 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.066 -2.225 -2.699 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.658 0.301 -2.537 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.758 -0.943 -3.806 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.495 0.760 -4.249 1.00 8.12 H new ATOM 417 N LYS A 27 -1.135 0.153 -4.867 1.00 2.64 N ATOM 418 CA LYS A 27 -2.594 0.157 -5.022 1.00 4.14 C ATOM 419 C LYS A 27 -2.987 -0.578 -6.312 1.00 5.58 C ATOM 420 O LYS A 27 -3.959 -1.321 -6.255 1.00 4.11 O ATOM 421 CB LYS A 27 -3.090 1.670 -4.868 1.00 3.97 C ATOM 422 CG LYS A 27 -2.812 2.224 -3.480 1.00 7.45 C ATOM 423 CD LYS A 27 -3.231 3.643 -3.292 1.00 9.02 C ATOM 424 CE LYS A 27 -2.846 4.287 -2.004 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.232 5.674 -1.851 1.00 15.47 N ATOM 0 H LYS A 27 -0.743 1.094 -4.887 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.114 -0.407 -4.248 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.593 2.292 -5.612 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.160 1.723 -5.072 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.326 1.605 -2.745 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.744 2.142 -3.276 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.811 4.233 -4.107 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.316 3.694 -3.387 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.287 3.715 -1.188 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.764 4.217 -1.894 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.616 6.130 -1.148 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.138 6.163 -2.764 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.220 5.726 -1.531 1.00 15.47 H new ATOM 439 N ALA A 28 -2.200 -0.460 -7.424 1.00 6.61 N ATOM 440 CA ALA A 28 -2.380 -1.199 -8.655 1.00 7.74 C ATOM 441 C ALA A 28 -2.170 -2.734 -8.452 1.00 9.17 C ATOM 442 O ALA A 28 -3.040 -3.572 -8.803 1.00 11.45 O ATOM 443 CB ALA A 28 -1.527 -0.630 -9.815 1.00 7.68 C ATOM 0 H ALA A 28 -1.406 0.179 -7.461 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.420 -1.065 -8.952 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.698 -1.220 -10.716 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.810 0.406 -10.000 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.472 -0.675 -9.547 1.00 7.68 H new ATOM 449 N LYS A 29 -1.165 -3.164 -7.712 1.00 8.96 N ATOM 450 CA LYS A 29 -0.999 -4.517 -7.283 1.00 7.90 C ATOM 451 C LYS A 29 -2.101 -5.008 -6.378 1.00 6.92 C ATOM 452 O LYS A 29 -2.613 -6.128 -6.543 1.00 6.87 O ATOM 453 CB LYS A 29 0.429 -4.624 -6.595 1.00 10.28 C ATOM 454 CG LYS A 29 1.572 -4.425 -7.572 1.00 14.94 C ATOM 455 CD LYS A 29 2.906 -4.237 -6.820 1.00 19.69 C ATOM 456 CE LYS A 29 4.032 -3.394 -7.564 1.00 22.63 C ATOM 457 NZ LYS A 29 4.606 -4.264 -8.495 1.00 24.98 N ATOM 0 H LYS A 29 -0.420 -2.547 -7.387 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.061 -5.173 -8.151 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.501 -3.879 -5.802 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.527 -5.602 -6.123 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.642 -5.285 -8.237 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.375 -3.554 -8.197 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.694 -3.754 -5.866 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.312 -5.223 -6.595 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.605 -2.520 -8.057 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.778 -3.029 -6.858 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.308 -3.750 -9.064 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.072 -5.048 -7.996 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.865 -4.643 -9.119 1.00 24.98 H new ATOM 471 N ILE A 30 -2.551 -4.235 -5.354 1.00 4.57 N ATOM 472 CA ILE A 30 -3.691 -4.550 -4.502 1.00 5.58 C ATOM 473 C ILE A 30 -5.053 -4.552 -5.299 1.00 7.26 C ATOM 474 O ILE A 30 -5.923 -5.373 -4.962 1.00 9.46 O ATOM 475 CB ILE A 30 -3.804 -3.549 -3.399 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.549 -3.701 -2.498 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.955 -3.836 -2.444 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.380 -2.544 -1.518 1.00 2.00 C ATOM 0 H ILE A 30 -2.105 -3.352 -5.105 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.514 -5.550 -4.105 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.934 -2.577 -3.876 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.618 -4.635 -1.941 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.662 -3.770 -3.128 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.982 -3.072 -1.667 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.896 -3.826 -2.995 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.813 -4.815 -1.986 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.486 -2.705 -0.915 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.281 -1.610 -2.071 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.252 -2.489 -0.866 1.00 2.00 H new ATOM 490 N GLN A 31 -5.202 -3.715 -6.339 1.00 7.06 N ATOM 491 CA GLN A 31 -6.289 -3.883 -7.356 1.00 8.67 C ATOM 492 C GLN A 31 -6.222 -5.209 -8.081 1.00 10.90 C ATOM 493 O GLN A 31 -7.229 -5.806 -8.422 1.00 9.63 O ATOM 494 CB GLN A 31 -6.248 -2.733 -8.419 1.00 9.12 C ATOM 495 CG GLN A 31 -7.588 -2.554 -9.132 1.00 10.76 C ATOM 496 CD GLN A 31 -7.588 -1.352 -10.076 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.521 -0.866 -10.457 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.792 -0.850 -10.470 1.00 14.76 N ATOM 0 H GLN A 31 -4.594 -2.914 -6.510 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.223 -3.847 -6.794 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -5.972 -1.799 -7.930 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.473 -2.949 -9.155 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.819 -3.457 -9.697 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.378 -2.431 -8.391 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.656 -1.276 -10.136 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.829 -0.048 -11.099 1.00 14.76 H new ATOM 507 N ASP A 32 -5.022 -5.672 -8.482 1.00 10.93 N ATOM 508 CA ASP A 32 -4.936 -6.975 -9.103 1.00 14.01 C ATOM 509 C ASP A 32 -5.331 -8.116 -8.167 1.00 14.04 C ATOM 510 O ASP A 32 -6.076 -9.028 -8.544 1.00 13.39 O ATOM 511 CB ASP A 32 -3.487 -7.111 -9.679 1.00 18.01 C ATOM 512 CG ASP A 32 -3.350 -8.226 -10.683 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.669 -7.921 -11.864 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.915 -9.325 -10.305 1.00 26.29 O ATOM 0 H ASP A 32 -4.138 -5.172 -8.385 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.664 -7.056 -9.910 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.200 -6.170 -10.149 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.791 -7.283 -8.858 1.00 18.01 H new ATOM 519 N LYS A 33 -4.828 -8.067 -6.909 1.00 14.22 N ATOM 520 CA LYS A 33 -5.131 -8.984 -5.865 1.00 14.00 C ATOM 521 C LYS A 33 -6.677 -9.044 -5.445 1.00 12.37 C ATOM 522 O LYS A 33 -7.323 -10.089 -5.461 1.00 12.17 O ATOM 523 CB LYS A 33 -4.342 -8.586 -4.588 1.00 18.62 C ATOM 524 CG LYS A 33 -3.983 -9.680 -3.575 1.00 24.00 C ATOM 525 CD LYS A 33 -3.056 -10.851 -3.990 1.00 27.61 C ATOM 526 CE LYS A 33 -1.754 -10.422 -4.605 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.106 -11.706 -4.920 1.00 30.06 N ATOM 0 H LYS A 33 -4.174 -7.341 -6.616 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.856 -9.961 -6.261 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.413 -8.113 -4.907 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.923 -7.827 -4.064 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.520 -9.189 -2.719 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.918 -10.116 -3.225 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.846 -11.461 -3.112 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.587 -11.486 -4.699 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.908 -9.816 -5.498 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.157 -9.826 -3.915 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.180 -11.529 -5.358 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.976 -12.253 -4.045 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.704 -12.244 -5.579 1.00 30.06 H new ATOM 541 N GLU A 34 -7.276 -7.880 -5.036 1.00 10.11 N ATOM 542 CA GLU A 34 -8.567 -7.808 -4.361 1.00 10.07 C ATOM 543 C GLU A 34 -9.644 -7.129 -5.156 1.00 9.32 C ATOM 544 O GLU A 34 -10.798 -7.170 -4.769 1.00 11.61 O ATOM 545 CB GLU A 34 -8.413 -7.000 -3.071 1.00 14.77 C ATOM 546 CG GLU A 34 -7.344 -7.475 -2.061 1.00 18.75 C ATOM 547 CD GLU A 34 -7.745 -8.852 -1.469 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.887 -8.907 -0.875 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.041 -9.876 -1.658 1.00 21.95 O ATOM 0 H GLU A 34 -6.849 -6.965 -5.180 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.865 -8.843 -4.195 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.185 -5.969 -3.344 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.377 -6.990 -2.562 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.375 -7.551 -2.554 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.238 -6.743 -1.260 1.00 18.75 H new ATOM 556 N GLY A 35 -9.308 -6.491 -6.317 1.00 7.22 N ATOM 557 CA GLY A 35 -10.351 -5.893 -7.192 1.00 6.29 C ATOM 558 C GLY A 35 -10.747 -4.490 -6.776 1.00 6.93 C ATOM 559 O GLY A 35 -11.704 -3.927 -7.320 1.00 7.41 O ATOM 0 H GLY A 35 -8.352 -6.382 -6.657 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.986 -5.871 -8.219 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.235 -6.531 -7.181 1.00 6.29 H new ATOM 563 N ILE A 36 -10.087 -3.973 -5.688 1.00 5.86 N ATOM 564 CA ILE A 36 -10.454 -2.733 -5.072 1.00 6.07 C ATOM 565 C ILE A 36 -9.884 -1.571 -5.868 1.00 6.36 C ATOM 566 O ILE A 36 -8.686 -1.551 -6.079 1.00 6.18 O ATOM 567 CB ILE A 36 -9.872 -2.675 -3.699 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.380 -3.851 -2.800 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.316 -1.422 -2.927 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.675 -3.965 -1.409 1.00 9.49 C ATOM 0 H ILE A 36 -9.293 -4.434 -5.244 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.541 -2.667 -5.036 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.795 -2.702 -3.867 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.451 -3.730 -2.640 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.242 -4.788 -3.339 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.865 -1.427 -1.935 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.996 -0.530 -3.466 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.402 -1.419 -2.832 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.092 -4.807 -0.857 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.606 -4.120 -1.555 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.834 -3.047 -0.844 1.00 9.49 H new ATOM 582 N PRO A 37 -10.591 -0.500 -6.266 1.00 8.65 N ATOM 583 CA PRO A 37 -9.978 0.731 -6.877 1.00 9.18 C ATOM 584 C PRO A 37 -8.901 1.396 -6.058 1.00 9.85 C ATOM 585 O PRO A 37 -9.142 1.508 -4.859 1.00 8.51 O ATOM 586 CB PRO A 37 -11.179 1.636 -6.926 1.00 11.42 C ATOM 587 CG PRO A 37 -12.398 0.679 -7.249 1.00 9.27 C ATOM 588 CD PRO A 37 -12.087 -0.498 -6.313 1.00 8.33 C ATOM 0 HA PRO A 37 -9.475 0.501 -7.816 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.323 2.153 -5.977 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.065 2.403 -7.692 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.359 1.143 -7.026 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.424 0.380 -8.297 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.522 -0.354 -5.324 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.480 -1.438 -6.701 1.00 8.33 H new ATOM 596 N PRO A 38 -7.694 1.818 -6.537 1.00 8.71 N ATOM 597 CA PRO A 38 -6.784 2.702 -5.835 1.00 9.08 C ATOM 598 C PRO A 38 -7.435 3.793 -5.034 1.00 9.28 C ATOM 599 O PRO A 38 -6.927 4.193 -3.994 1.00 6.50 O ATOM 600 CB PRO A 38 -5.956 3.282 -6.946 1.00 10.31 C ATOM 601 CG PRO A 38 -5.818 2.046 -7.941 1.00 10.81 C ATOM 602 CD PRO A 38 -7.166 1.374 -7.825 1.00 12.00 C ATOM 0 HA PRO A 38 -6.225 2.151 -5.078 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.447 4.133 -7.419 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.986 3.630 -6.592 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.613 2.369 -8.962 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.007 1.379 -7.649 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.824 1.664 -8.644 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.072 0.289 -7.861 1.00 12.00 H new ATOM 610 N ASP A 39 -8.546 4.399 -5.511 1.00 11.20 N ATOM 611 CA ASP A 39 -9.177 5.496 -4.826 1.00 14.96 C ATOM 612 C ASP A 39 -9.953 5.159 -3.529 1.00 13.99 C ATOM 613 O ASP A 39 -10.167 6.045 -2.688 1.00 13.75 O ATOM 614 CB ASP A 39 -10.080 6.248 -5.776 1.00 24.16 C ATOM 615 CG ASP A 39 -9.507 6.536 -7.155 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.331 6.980 -7.274 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.164 6.278 -8.148 1.00 34.22 O ATOM 0 H ASP A 39 -9.010 4.127 -6.378 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.340 6.107 -4.487 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.000 5.677 -5.899 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.352 7.196 -5.313 1.00 24.16 H new ATOM 622 N GLN A 40 -10.232 3.828 -3.342 1.00 11.60 N ATOM 623 CA GLN A 40 -10.744 3.259 -2.084 1.00 10.76 C ATOM 624 C GLN A 40 -9.643 2.772 -1.150 1.00 8.01 C ATOM 625 O GLN A 40 -10.018 2.171 -0.164 1.00 8.96 O ATOM 626 CB GLN A 40 -11.806 2.112 -2.269 1.00 11.14 C ATOM 627 CG GLN A 40 -13.120 2.780 -2.792 1.00 14.85 C ATOM 628 CD GLN A 40 -14.045 1.713 -3.284 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.316 0.742 -2.575 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.404 1.837 -4.583 1.00 18.16 N ATOM 0 H GLN A 40 -10.101 3.130 -4.075 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.251 4.107 -1.624 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.446 1.365 -2.976 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.985 1.597 -1.325 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.595 3.352 -1.995 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.892 3.481 -3.595 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.143 2.672 -5.107 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.936 1.095 -5.038 1.00 18.16 H new ATOM 639 N GLN A 41 -8.339 3.009 -1.424 1.00 6.52 N ATOM 640 CA GLN A 41 -7.253 2.335 -0.723 1.00 3.87 C ATOM 641 C GLN A 41 -6.399 3.348 -0.008 1.00 4.79 C ATOM 642 O GLN A 41 -5.823 4.270 -0.636 1.00 6.34 O ATOM 643 CB GLN A 41 -6.363 1.571 -1.629 1.00 4.20 C ATOM 644 CG GLN A 41 -7.192 0.527 -2.362 1.00 3.20 C ATOM 645 CD GLN A 41 -6.291 -0.368 -3.182 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.254 -0.825 -2.666 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.709 -0.731 -4.381 1.00 7.13 N ATOM 0 H GLN A 41 -8.025 3.670 -2.134 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.727 1.640 -0.030 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.884 2.242 -2.342 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.567 1.090 -1.060 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.756 -0.070 -1.645 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.918 1.017 -3.010 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.565 -0.331 -4.765 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.176 -1.411 -4.923 1.00 7.13 H new ATOM 656 N ARG A 42 -6.160 3.144 1.272 1.00 5.73 N ATOM 657 CA ARG A 42 -5.322 4.025 2.063 1.00 6.97 C ATOM 658 C ARG A 42 -4.207 3.207 2.780 1.00 7.15 C ATOM 659 O ARG A 42 -4.518 2.277 3.508 1.00 7.33 O ATOM 660 CB ARG A 42 -6.075 4.900 2.993 1.00 13.23 C ATOM 661 CG ARG A 42 -7.200 5.674 2.354 1.00 21.27 C ATOM 662 CD ARG A 42 -7.613 6.881 3.206 1.00 26.14 C ATOM 663 NE ARG A 42 -8.604 7.717 2.478 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.215 8.792 3.042 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.048 9.008 4.363 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.048 9.630 2.393 1.00 36.39 N ATOM 0 H ARG A 42 -6.544 2.358 1.796 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.848 4.719 1.369 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.484 4.288 3.797 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.381 5.605 3.451 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.892 6.015 1.365 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.059 5.018 2.212 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.040 6.539 4.149 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.735 7.478 3.451 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.835 7.473 1.515 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.473 8.371 4.915 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.496 9.808 4.810 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.258 9.477 1.407 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.468 10.417 2.888 1.00 36.39 H new ATOM 680 N LEU A 43 -2.926 3.560 2.613 1.00 4.65 N ATOM 681 CA LEU A 43 -1.821 2.878 3.184 1.00 3.51 C ATOM 682 C LEU A 43 -1.227 3.662 4.354 1.00 5.56 C ATOM 683 O LEU A 43 -0.971 4.873 4.262 1.00 4.19 O ATOM 684 CB LEU A 43 -0.742 2.640 2.061 1.00 3.74 C ATOM 685 CG LEU A 43 -1.246 1.620 1.054 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.394 1.696 -0.216 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.311 0.193 1.624 1.00 6.41 C ATOM 0 H LEU A 43 -2.650 4.364 2.049 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.156 1.920 3.582 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.519 3.580 1.556 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.188 2.290 2.509 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.277 1.872 0.805 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.754 0.965 -0.940 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.467 2.696 -0.644 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.646 1.481 0.030 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.678 -0.489 0.857 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.315 -0.118 1.940 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.986 0.173 2.480 1.00 6.41 H new ATOM 699 N ILE A 44 -1.080 2.987 5.471 1.00 4.58 N ATOM 700 CA ILE A 44 -0.364 3.455 6.652 1.00 5.55 C ATOM 701 C ILE A 44 0.887 2.639 6.813 1.00 5.46 C ATOM 702 O ILE A 44 0.854 1.430 6.783 1.00 6.04 O ATOM 703 CB ILE A 44 -1.213 3.555 7.926 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.999 4.884 7.929 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.310 3.612 9.203 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.316 4.891 7.155 1.00 13.90 C ATOM 0 H ILE A 44 -1.472 2.053 5.594 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.088 4.496 6.486 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.865 2.682 7.939 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.208 5.156 8.964 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.356 5.663 7.519 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.939 3.683 10.090 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.297 2.709 9.260 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.341 4.484 9.149 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.776 5.876 7.229 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.124 4.658 6.108 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.989 4.143 7.575 1.00 13.90 H new ATOM 718 N PHE A 45 2.020 3.274 7.068 1.00 6.75 N ATOM 719 CA PHE A 45 3.266 2.681 7.599 1.00 4.70 C ATOM 720 C PHE A 45 4.179 3.673 8.384 1.00 6.34 C ATOM 721 O PHE A 45 4.185 4.866 8.116 1.00 5.45 O ATOM 722 CB PHE A 45 4.085 2.049 6.354 1.00 5.51 C ATOM 723 CG PHE A 45 5.497 1.650 6.564 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.887 0.401 7.144 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.558 2.558 6.431 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.168 0.070 7.393 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.891 2.201 6.532 1.00 6.64 C ATOM 728 CZ PHE A 45 8.173 0.906 6.973 1.00 6.84 C ATOM 0 H PHE A 45 2.114 4.276 6.905 1.00 6.75 H new ATOM 0 HA PHE A 45 2.976 1.926 8.329 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.540 1.170 6.011 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.063 2.775 5.541 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.115 -0.312 7.394 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.321 3.594 6.239 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.403 -0.844 7.918 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.680 2.894 6.281 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.195 0.558 6.984 1.00 6.84 H new ATOM 738 N ALA A 46 4.960 3.209 9.333 1.00 6.53 N ATOM 739 CA ALA A 46 5.894 4.001 10.161 1.00 7.15 C ATOM 740 C ALA A 46 5.225 5.209 10.860 1.00 9.00 C ATOM 741 O ALA A 46 5.791 6.304 10.882 1.00 11.15 O ATOM 742 CB ALA A 46 7.208 4.339 9.432 1.00 8.99 C ATOM 0 H ALA A 46 4.975 2.218 9.575 1.00 6.53 H new ATOM 0 HA ALA A 46 6.191 3.347 10.981 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.851 4.921 10.092 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.716 3.416 9.151 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.988 4.919 8.536 1.00 8.99 H new ATOM 748 N GLY A 47 4.030 5.046 11.363 1.00 9.35 N ATOM 749 CA GLY A 47 3.242 6.117 11.901 1.00 11.68 C ATOM 750 C GLY A 47 2.645 7.060 11.007 1.00 11.14 C ATOM 751 O GLY A 47 2.014 8.001 11.435 1.00 13.93 O ATOM 0 H GLY A 47 3.567 4.138 11.410 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.441 5.671 12.491 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.874 6.675 12.592 1.00 11.68 H new ATOM 755 N LYS A 48 2.701 6.957 9.664 1.00 10.47 N ATOM 756 CA LYS A 48 2.089 7.976 8.751 1.00 8.82 C ATOM 757 C LYS A 48 1.338 7.364 7.631 1.00 7.68 C ATOM 758 O LYS A 48 1.532 6.194 7.260 1.00 6.47 O ATOM 759 CB LYS A 48 3.262 8.758 8.129 1.00 9.74 C ATOM 760 CG LYS A 48 4.463 7.876 7.621 1.00 14.14 C ATOM 761 CD LYS A 48 5.576 8.629 6.877 1.00 16.32 C ATOM 762 CE LYS A 48 6.390 9.560 7.847 1.00 20.04 C ATOM 763 NZ LYS A 48 7.551 10.121 7.072 1.00 23.92 N ATOM 0 H LYS A 48 3.159 6.186 9.177 1.00 10.47 H new ATOM 0 HA LYS A 48 1.396 8.589 9.327 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.883 9.344 7.292 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.639 9.465 8.868 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.904 7.368 8.478 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.068 7.104 6.961 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.250 7.913 6.408 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.140 9.228 6.077 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.759 10.364 8.226 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.743 8.997 8.711 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.111 10.744 7.688 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.149 9.342 6.731 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.196 10.666 6.260 1.00 23.92 H new ATOM 777 N GLN A 49 0.379 8.092 7.049 1.00 8.89 N ATOM 778 CA GLN A 49 -0.251 7.700 5.789 1.00 7.18 C ATOM 779 C GLN A 49 0.636 7.960 4.570 1.00 8.23 C ATOM 780 O GLN A 49 1.350 8.918 4.578 1.00 9.70 O ATOM 781 CB GLN A 49 -1.654 8.345 5.732 1.00 11.67 C ATOM 782 CG GLN A 49 -2.577 7.771 4.633 1.00 15.82 C ATOM 783 CD GLN A 49 -3.881 8.537 4.699 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.776 8.217 5.471 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.051 9.630 3.862 1.00 20.67 N ATOM 0 H GLN A 49 0.021 8.964 7.438 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.381 6.618 5.754 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.139 8.217 6.700 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.541 9.417 5.571 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.118 7.877 3.650 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.748 6.706 4.791 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.308 9.899 3.218 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.919 10.164 3.891 1.00 20.67 H new ATOM 794 N LEU A 50 0.543 7.084 3.548 1.00 6.51 N ATOM 795 CA LEU A 50 1.473 7.228 2.448 1.00 7.41 C ATOM 796 C LEU A 50 0.833 7.896 1.357 1.00 8.27 C ATOM 797 O LEU A 50 -0.331 7.613 1.062 1.00 8.34 O ATOM 798 CB LEU A 50 2.033 5.815 2.027 1.00 7.13 C ATOM 799 CG LEU A 50 2.460 4.873 3.195 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.141 3.587 2.685 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.375 5.514 4.269 1.00 9.11 C ATOM 0 H LEU A 50 -0.128 6.320 3.474 1.00 6.51 H new ATOM 0 HA LEU A 50 2.321 7.838 2.759 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.272 5.306 1.436 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.894 5.967 1.376 1.00 7.13 H new ATOM 0 HG LEU A 50 1.511 4.643 3.679 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.421 2.962 3.533 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.451 3.040 2.043 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.034 3.849 2.117 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.612 4.774 5.034 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.297 5.861 3.802 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.861 6.358 4.728 1.00 9.11 H new ATOM 813 N GLU A 51 1.569 8.736 0.632 1.00 9.43 N ATOM 814 CA GLU A 51 1.073 9.542 -0.448 1.00 11.90 C ATOM 815 C GLU A 51 1.395 8.896 -1.783 1.00 11.49 C ATOM 816 O GLU A 51 2.504 8.408 -2.054 1.00 9.88 O ATOM 817 CB GLU A 51 1.637 10.960 -0.346 1.00 16.56 C ATOM 818 CG GLU A 51 1.203 11.763 0.842 1.00 26.06 C ATOM 819 CD GLU A 51 1.918 13.017 0.922 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.760 13.900 0.028 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.741 13.208 1.886 1.00 32.13 O ATOM 0 H GLU A 51 2.566 8.869 0.799 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.012 9.612 -0.377 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.725 10.896 -0.336 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.358 11.505 -1.248 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.132 11.957 0.780 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.371 11.188 1.753 1.00 26.06 H new ATOM 828 N ASP A 52 0.403 8.893 -2.720 1.00 12.71 N ATOM 829 CA ASP A 52 0.461 8.133 -3.936 1.00 16.56 C ATOM 830 C ASP A 52 1.678 8.369 -4.835 1.00 15.83 C ATOM 831 O ASP A 52 2.219 7.373 -5.273 1.00 17.21 O ATOM 832 CB ASP A 52 -0.782 8.432 -4.785 1.00 21.05 C ATOM 833 CG ASP A 52 -2.033 8.084 -4.043 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.449 6.898 -4.047 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.563 8.990 -3.308 1.00 25.82 O ATOM 0 H ASP A 52 -0.455 9.435 -2.620 1.00 12.71 H new ATOM 0 HA ASP A 52 0.526 7.101 -3.592 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.797 9.488 -5.055 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.737 7.865 -5.715 1.00 21.05 H new ATOM 840 N GLY A 53 2.089 9.670 -5.040 1.00 15.00 N ATOM 841 CA GLY A 53 3.216 9.941 -6.030 1.00 11.77 C ATOM 842 C GLY A 53 4.531 9.595 -5.413 1.00 11.10 C ATOM 843 O GLY A 53 5.545 9.625 -6.113 1.00 11.25 O ATOM 0 H GLY A 53 1.699 10.492 -4.578 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.064 9.354 -6.936 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.208 10.990 -6.325 1.00 11.77 H new ATOM 847 N ARG A 54 4.617 9.197 -4.137 1.00 8.53 N ATOM 848 CA ARG A 54 5.856 8.783 -3.523 1.00 9.05 C ATOM 849 C ARG A 54 6.129 7.351 -3.753 1.00 8.96 C ATOM 850 O ARG A 54 5.269 6.626 -4.208 1.00 11.60 O ATOM 851 CB ARG A 54 5.893 9.123 -1.996 1.00 7.97 C ATOM 852 CG ARG A 54 5.635 10.612 -1.658 1.00 9.62 C ATOM 853 CD ARG A 54 6.729 11.562 -2.166 1.00 12.20 C ATOM 854 NE ARG A 54 6.324 12.975 -1.748 1.00 18.23 N ATOM 855 CZ ARG A 54 7.250 13.923 -1.368 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.538 13.728 -1.416 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.782 14.968 -0.718 1.00 23.38 N ATOM 0 H ARG A 54 3.814 9.158 -3.509 1.00 8.53 H new ATOM 0 HA ARG A 54 6.650 9.353 -4.005 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.148 8.514 -1.484 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.867 8.838 -1.598 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.679 10.912 -2.087 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.547 10.719 -0.577 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.697 11.297 -1.741 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.826 11.493 -3.249 1.00 12.20 H new ATOM 0 HE ARG A 54 5.335 13.225 -1.750 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.907 12.837 -1.748 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.177 14.467 -1.122 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.784 15.042 -0.522 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.418 15.704 -0.410 1.00 23.38 H new ATOM 871 N THR A 55 7.414 6.977 -3.603 1.00 9.05 N ATOM 872 CA THR A 55 7.911 5.625 -3.858 1.00 9.03 C ATOM 873 C THR A 55 8.252 4.963 -2.528 1.00 8.15 C ATOM 874 O THR A 55 8.438 5.687 -1.528 1.00 5.91 O ATOM 875 CB THR A 55 9.070 5.530 -4.821 1.00 11.15 C ATOM 876 OG1 THR A 55 10.216 6.152 -4.193 1.00 11.95 O ATOM 877 CG2 THR A 55 8.772 6.182 -6.144 1.00 11.71 C ATOM 0 H THR A 55 8.142 7.622 -3.296 1.00 9.05 H new ATOM 0 HA THR A 55 7.104 5.096 -4.365 1.00 9.03 H new ATOM 0 HB THR A 55 9.267 4.480 -5.039 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.943 6.995 -3.776 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.637 6.086 -6.800 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.912 5.695 -6.604 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.551 7.238 -5.988 1.00 11.71 H new ATOM 885 N LEU A 56 8.385 3.630 -2.538 1.00 6.91 N ATOM 886 CA LEU A 56 8.900 2.836 -1.486 1.00 8.29 C ATOM 887 C LEU A 56 10.136 3.300 -0.793 1.00 8.05 C ATOM 888 O LEU A 56 10.305 3.234 0.425 1.00 10.17 O ATOM 889 CB LEU A 56 9.089 1.332 -1.970 1.00 6.60 C ATOM 890 CG LEU A 56 7.819 0.458 -1.815 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.620 0.878 -2.710 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.216 -1.007 -2.103 1.00 8.64 C ATOM 0 H LEU A 56 8.110 3.071 -3.346 1.00 6.91 H new ATOM 0 HA LEU A 56 8.132 2.932 -0.719 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.392 1.333 -3.017 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.902 0.878 -1.404 1.00 6.60 H new ATOM 0 HG LEU A 56 7.458 0.593 -0.795 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.780 0.208 -2.530 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.327 1.900 -2.469 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.912 0.822 -3.759 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.340 -1.648 -2.001 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.607 -1.085 -3.117 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.981 -1.323 -1.394 1.00 8.64 H new ATOM 904 N SER A 57 11.141 3.750 -1.632 1.00 8.92 N ATOM 905 CA SER A 57 12.387 4.258 -1.119 1.00 9.00 C ATOM 906 C SER A 57 12.243 5.530 -0.456 1.00 9.44 C ATOM 907 O SER A 57 13.001 5.735 0.502 1.00 10.91 O ATOM 908 CB SER A 57 13.351 4.523 -2.267 1.00 10.32 C ATOM 909 OG SER A 57 13.851 3.330 -2.843 1.00 13.59 O ATOM 0 H SER A 57 11.073 3.754 -2.650 1.00 8.92 H new ATOM 0 HA SER A 57 12.744 3.502 -0.420 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.845 5.108 -3.034 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.185 5.125 -1.905 1.00 10.32 H new ATOM 0 HG SER A 57 13.102 2.763 -3.123 1.00 13.59 H new ATOM 915 N ASP A 58 11.220 6.423 -0.747 1.00 9.11 N ATOM 916 CA ASP A 58 10.995 7.624 0.092 1.00 7.91 C ATOM 917 C ASP A 58 10.724 7.323 1.562 1.00 9.12 C ATOM 918 O ASP A 58 11.136 8.068 2.413 1.00 8.61 O ATOM 919 CB ASP A 58 9.827 8.486 -0.477 1.00 8.41 C ATOM 920 CG ASP A 58 10.222 8.864 -1.869 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.194 9.634 -1.913 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.552 8.539 -2.874 1.00 11.70 O ATOM 0 H ASP A 58 10.573 6.322 -1.529 1.00 9.11 H new ATOM 0 HA ASP A 58 11.934 8.175 0.052 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.893 7.924 -0.477 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.665 9.373 0.135 1.00 8.41 H new ATOM 927 N TYR A 59 10.081 6.138 1.862 1.00 7.97 N ATOM 928 CA TYR A 59 9.642 5.768 3.203 1.00 8.45 C ATOM 929 C TYR A 59 10.635 4.824 3.816 1.00 10.98 C ATOM 930 O TYR A 59 10.513 4.515 5.010 1.00 12.95 O ATOM 931 CB TYR A 59 8.298 5.006 3.174 1.00 7.94 C ATOM 932 CG TYR A 59 7.246 6.010 2.634 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.880 7.103 3.403 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.616 5.777 1.366 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.885 7.978 2.948 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.601 6.632 0.938 1.00 6.52 C ATOM 937 CZ TYR A 59 5.249 7.739 1.712 1.00 6.76 C ATOM 938 OH TYR A 59 4.331 8.765 1.284 1.00 7.63 O ATOM 0 H TYR A 59 9.867 5.432 1.158 1.00 7.97 H new ATOM 0 HA TYR A 59 9.543 6.695 3.768 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.362 4.127 2.533 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.027 4.656 4.170 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.362 7.280 4.353 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.925 4.947 0.749 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.605 8.835 3.543 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.087 6.438 0.008 1.00 6.52 H new ATOM 0 HH TYR A 59 4.810 9.615 1.191 1.00 7.63 H new ATOM 948 N ASN A 60 11.641 4.430 3.059 1.00 12.38 N ATOM 949 CA ASN A 60 12.668 3.476 3.323 1.00 13.94 C ATOM 950 C ASN A 60 12.231 2.066 3.381 1.00 14.16 C ATOM 951 O ASN A 60 12.657 1.405 4.336 1.00 14.26 O ATOM 952 CB ASN A 60 13.575 3.848 4.565 1.00 19.23 C ATOM 953 CG ASN A 60 14.375 5.129 4.223 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.838 5.305 3.081 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.500 6.056 5.225 1.00 24.09 N ATOM 0 H ASN A 60 11.759 4.831 2.129 1.00 12.38 H new ATOM 0 HA ASN A 60 13.287 3.547 2.429 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.958 4.011 5.449 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.254 3.028 4.797 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.989 6.934 5.050 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.104 5.868 6.146 1.00 24.09 H new ATOM 962 N ILE A 61 11.355 1.593 2.469 1.00 11.08 N ATOM 963 CA ILE A 61 10.635 0.319 2.743 1.00 11.78 C ATOM 964 C ILE A 61 11.450 -0.850 2.202 1.00 13.74 C ATOM 965 O ILE A 61 11.853 -0.853 1.059 1.00 14.60 O ATOM 966 CB ILE A 61 9.261 0.305 2.135 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.372 1.322 2.824 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.592 -1.115 2.253 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.036 1.520 2.044 1.00 11.42 C ATOM 0 H ILE A 61 11.133 2.041 1.580 1.00 11.08 H new ATOM 0 HA ILE A 61 10.516 0.228 3.823 1.00 11.78 H new ATOM 0 HB ILE A 61 9.370 0.556 1.080 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.158 0.993 3.841 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.896 2.275 2.901 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.600 -1.088 1.803 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.206 -1.851 1.734 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.506 -1.391 3.304 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.418 2.254 2.561 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.252 1.873 1.036 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.502 0.571 1.990 1.00 11.42 H new ATOM 981 N GLN A 62 11.726 -1.833 3.085 1.00 13.97 N ATOM 982 CA GLN A 62 12.653 -2.940 2.999 1.00 15.52 C ATOM 983 C GLN A 62 11.948 -4.211 2.600 1.00 13.94 C ATOM 984 O GLN A 62 10.746 -4.284 2.552 1.00 12.15 O ATOM 985 CB GLN A 62 13.426 -3.160 4.358 1.00 19.53 C ATOM 986 CG GLN A 62 14.199 -1.964 4.941 1.00 26.38 C ATOM 987 CD GLN A 62 15.182 -1.406 3.887 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.040 -2.149 3.483 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.098 -0.091 3.466 1.00 32.71 N ATOM 0 H GLN A 62 11.234 -1.855 3.978 1.00 13.97 H new ATOM 0 HA GLN A 62 13.381 -2.685 2.229 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.704 -3.490 5.105 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.132 -3.978 4.214 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.502 -1.185 5.249 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.745 -2.273 5.832 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.360 0.514 3.826 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.774 0.274 2.795 1.00 32.71 H new ATOM 998 N LYS A 63 12.661 -5.312 2.295 1.00 11.73 N ATOM 999 CA LYS A 63 12.116 -6.580 1.937 1.00 11.97 C ATOM 1000 C LYS A 63 11.430 -7.289 3.074 1.00 10.41 C ATOM 1001 O LYS A 63 11.727 -6.955 4.260 1.00 9.59 O ATOM 1002 CB LYS A 63 13.229 -7.427 1.318 1.00 13.73 C ATOM 1003 CG LYS A 63 14.107 -8.187 2.311 1.00 16.98 C ATOM 1004 CD LYS A 63 15.377 -8.713 1.753 1.00 20.19 C ATOM 1005 CE LYS A 63 16.438 -9.128 2.794 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.660 -9.774 2.300 1.00 25.97 N ATOM 0 H LYS A 63 13.681 -5.312 2.300 1.00 11.73 H new ATOM 0 HA LYS A 63 11.323 -6.416 1.208 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.777 -8.146 0.635 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.867 -6.776 0.720 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.341 -7.526 3.145 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.533 -9.021 2.716 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.149 -9.577 1.128 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.810 -7.954 1.102 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.730 -8.237 3.349 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.964 -9.805 3.505 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.283 -9.999 3.102 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.411 -10.651 1.799 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.153 -9.131 1.648 1.00 25.97 H new ATOM 1020 N GLU A 64 10.390 -8.096 2.860 1.00 10.04 N ATOM 1021 CA GLU A 64 9.638 -8.749 3.872 1.00 10.94 C ATOM 1022 C GLU A 64 9.074 -7.922 4.991 1.00 9.74 C ATOM 1023 O GLU A 64 8.965 -8.300 6.168 1.00 9.42 O ATOM 1024 CB GLU A 64 10.449 -10.038 4.402 1.00 18.31 C ATOM 1025 CG GLU A 64 10.847 -11.073 3.242 1.00 24.16 C ATOM 1026 CD GLU A 64 11.656 -12.248 3.756 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.835 -12.032 4.150 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.124 -13.389 3.784 1.00 32.61 O ATOM 0 H GLU A 64 10.052 -8.307 1.921 1.00 10.04 H new ATOM 0 HA GLU A 64 8.719 -9.045 3.366 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.356 -9.704 4.905 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.844 -10.556 5.147 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.940 -11.443 2.765 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.420 -10.551 2.476 1.00 24.16 H new ATOM 1035 N SER A 65 8.742 -6.628 4.646 1.00 6.85 N ATOM 1036 CA SER A 65 8.057 -5.622 5.510 1.00 6.90 C ATOM 1037 C SER A 65 6.584 -5.697 5.321 1.00 4.72 C ATOM 1038 O SER A 65 6.087 -6.358 4.376 1.00 3.91 O ATOM 1039 CB SER A 65 8.654 -4.238 5.160 1.00 7.28 C ATOM 1040 OG SER A 65 8.141 -3.205 6.013 1.00 10.56 O ATOM 0 H SER A 65 8.957 -6.254 3.722 1.00 6.85 H new ATOM 0 HA SER A 65 8.223 -5.815 6.570 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.740 -4.277 5.249 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.428 -3.997 4.121 1.00 7.28 H new ATOM 0 HG SER A 65 8.541 -2.346 5.764 1.00 10.56 H new ATOM 1046 N THR A 66 5.823 -5.150 6.300 1.00 4.48 N ATOM 1047 CA THR A 66 4.380 -5.173 6.320 1.00 3.80 C ATOM 1048 C THR A 66 3.821 -3.742 6.392 1.00 4.60 C ATOM 1049 O THR A 66 4.189 -2.919 7.194 1.00 5.33 O ATOM 1050 CB THR A 66 3.808 -5.899 7.539 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.391 -7.199 7.588 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.260 -6.028 7.435 1.00 3.40 C ATOM 0 H THR A 66 6.227 -4.674 7.107 1.00 4.48 H new ATOM 0 HA THR A 66 4.091 -5.692 5.406 1.00 3.80 H new ATOM 0 HB THR A 66 4.038 -5.333 8.442 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.041 -7.685 8.364 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.878 -6.548 8.314 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.815 -5.035 7.379 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.001 -6.592 6.539 1.00 3.40 H new ATOM 1060 N LEU A 67 2.842 -3.411 5.484 1.00 4.17 N ATOM 1061 CA LEU A 67 2.163 -2.127 5.502 1.00 3.85 C ATOM 1062 C LEU A 67 0.894 -2.335 6.242 1.00 3.80 C ATOM 1063 O LEU A 67 0.287 -3.421 6.221 1.00 5.54 O ATOM 1064 CB LEU A 67 1.849 -1.663 4.011 1.00 7.18 C ATOM 1065 CG LEU A 67 3.130 -1.614 3.081 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.785 -1.180 1.654 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.247 -0.666 3.665 1.00 11.66 C ATOM 0 H LEU A 67 2.527 -4.036 4.742 1.00 4.17 H new ATOM 0 HA LEU A 67 2.776 -1.359 5.973 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.118 -2.343 3.574 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.390 -0.675 4.036 1.00 7.18 H new ATOM 0 HG LEU A 67 3.519 -2.632 3.051 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.692 -1.160 1.050 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.076 -1.886 1.220 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.340 -0.185 1.674 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.107 -0.662 2.996 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.854 0.346 3.756 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.553 -1.026 4.647 1.00 11.66 H new ATOM 1079 N HIS A 68 0.253 -1.307 6.722 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.157 -1.282 7.131 1.00 4.17 C ATOM 1081 C HIS A 68 -1.958 -0.807 5.966 1.00 5.32 C ATOM 1082 O HIS A 68 -1.694 0.247 5.400 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.261 -0.416 8.326 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.505 -1.004 9.526 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.824 -1.125 9.654 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.028 -1.473 10.713 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.065 -1.576 10.911 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.006 -1.814 11.603 1.00 16.30 N ATOM 0 H HIS A 68 0.710 -0.405 6.853 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.547 -2.261 7.409 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.863 0.572 8.094 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.311 -0.283 8.588 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.083 -1.564 10.926 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.061 -1.724 11.301 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.083 -2.163 12.558 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.087 -1.525 5.590 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.017 -1.013 4.631 1.00 3.97 C ATOM 1098 C LEU A 69 -5.410 -0.815 5.242 1.00 5.07 C ATOM 1099 O LEU A 69 -5.917 -1.677 5.921 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.132 -1.943 3.442 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.262 -1.780 2.397 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.091 -0.573 1.472 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.356 -3.107 1.572 1.00 9.96 C ATOM 0 H LEU A 69 -3.327 -2.444 5.961 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.634 -0.046 4.306 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.188 -1.884 2.900 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.209 -2.956 3.838 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.188 -1.585 2.938 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.924 -0.531 0.770 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.071 0.341 2.066 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.156 -0.667 0.920 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.147 -3.017 0.827 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.406 -3.292 1.071 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.581 -3.937 2.242 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.019 0.371 5.075 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.404 0.569 5.516 1.00 6.26 C ATOM 1117 C VAL A 70 -8.141 1.014 4.313 1.00 9.22 C ATOM 1118 O VAL A 70 -7.557 1.468 3.297 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.545 1.567 6.655 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.857 0.940 7.842 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.906 2.972 6.305 1.00 8.54 C ATOM 0 H VAL A 70 -5.584 1.188 4.647 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.802 -0.358 5.928 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.597 1.770 6.857 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.924 1.612 8.698 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.340 -0.006 8.085 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.809 0.761 7.602 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.032 3.650 7.149 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.844 2.847 6.096 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.402 3.389 5.428 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.463 0.713 4.316 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.213 0.840 3.069 1.00 16.06 C ATOM 1133 C LEU A 71 -11.303 1.819 3.301 1.00 18.09 C ATOM 1134 O LEU A 71 -11.782 1.914 4.434 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.851 -0.471 2.584 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.817 -1.553 2.385 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.468 -2.891 2.036 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.914 -1.194 1.183 1.00 19.57 C ATOM 0 H LEU A 71 -9.997 0.399 5.126 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.507 1.151 2.299 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.593 -0.805 3.309 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.379 -0.294 1.647 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.256 -1.631 3.316 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.695 -3.647 1.900 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.133 -3.194 2.845 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.041 -2.788 1.114 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.169 -1.977 1.041 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.523 -1.106 0.284 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.412 -0.246 1.375 1.00 19.57 H new