USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 125:sc= 0.96 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.822 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.48 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.627 K(o=1.1,f=-0.096) USER MOD Set 3.1: A 7 THR OG1 : rot 142:sc= 1.26 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 MET CE :methyl -142:sc= -0.0102 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.26 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= 0.0518 X(o=0.052,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 1.23 (180deg=0.018!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -99:sc= 0.425 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00435 USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.86 (180deg=1.33) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= 1.19 (180deg=1.04) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.426 K(o=-0.43,f=-4.4!) 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=-0.1) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.659 USER MOD Single : A 60 ASN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.017) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -147:sc= 0.00187 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc=-0.00987 X(o=-0.0099,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.942 -6.895 -4.558 1.00 9.67 N ATOM 2 CA MET A 1 11.700 -6.869 -3.093 1.00 10.38 C ATOM 3 C MET A 1 10.222 -7.281 -2.810 1.00 9.62 C ATOM 4 O MET A 1 9.258 -6.744 -3.406 1.00 9.62 O ATOM 5 CB MET A 1 12.026 -5.434 -2.687 1.00 13.77 C ATOM 6 CG MET A 1 12.159 -5.215 -1.197 1.00 16.29 C ATOM 7 SD MET A 1 12.123 -3.517 -0.515 1.00 17.17 S ATOM 8 CE MET A 1 10.375 -3.280 -0.386 1.00 16.11 C ATOM 0 H1 MET A 1 12.911 -6.572 -4.756 1.00 9.67 H new ATOM 0 H2 MET A 1 11.821 -7.865 -4.913 1.00 9.67 H new ATOM 0 H3 MET A 1 11.264 -6.266 -5.033 1.00 9.67 H new ATOM 0 HA MET A 1 12.307 -7.569 -2.520 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.957 -5.137 -3.169 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.245 -4.776 -3.069 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.358 -5.775 -0.714 1.00 16.29 H new ATOM 0 HG3 MET A 1 13.099 -5.670 -0.885 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.127 -2.252 -0.651 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.864 -3.963 -1.065 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.055 -3.479 0.637 1.00 16.11 H new ATOM 20 N GLN A 2 10.061 -8.204 -1.794 1.00 9.27 N ATOM 21 CA GLN A 2 8.771 -8.682 -1.357 1.00 9.07 C ATOM 22 C GLN A 2 8.272 -7.865 -0.210 1.00 8.72 C ATOM 23 O GLN A 2 8.995 -7.485 0.686 1.00 8.22 O ATOM 24 CB GLN A 2 8.858 -10.131 -0.843 1.00 14.46 C ATOM 25 CG GLN A 2 7.518 -10.848 -0.766 1.00 17.01 C ATOM 26 CD GLN A 2 7.735 -12.303 -0.330 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.100 -13.044 -1.219 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.601 -12.646 0.920 1.00 19.49 N ATOM 0 H GLN A 2 10.843 -8.612 -1.282 1.00 9.27 H new ATOM 0 HA GLN A 2 8.107 -8.614 -2.218 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.523 -10.697 -1.496 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.312 -10.126 0.148 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.863 -10.340 -0.058 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.023 -10.819 -1.737 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.288 -11.960 1.606 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.809 -13.601 1.212 1.00 19.49 H new ATOM 37 N ILE A 3 6.960 -7.524 -0.253 1.00 5.87 N ATOM 38 CA ILE A 3 6.345 -6.889 0.917 1.00 5.07 C ATOM 39 C ILE A 3 4.992 -7.532 1.159 1.00 4.01 C ATOM 40 O ILE A 3 4.417 -8.183 0.332 1.00 4.61 O ATOM 41 CB ILE A 3 6.117 -5.386 0.729 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.343 -5.096 -0.584 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.474 -4.671 0.790 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.775 -3.691 -0.746 1.00 10.83 C ATOM 0 H ILE A 3 6.340 -7.673 -1.049 1.00 5.87 H new ATOM 0 HA ILE A 3 7.029 -7.026 1.755 1.00 5.07 H new ATOM 0 HB ILE A 3 5.490 -5.000 1.532 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.010 -5.292 -1.423 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.520 -5.807 -0.658 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.327 -3.599 0.657 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.940 -4.856 1.758 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.120 -5.049 -0.002 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.258 -3.616 -1.703 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.073 -3.487 0.063 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.587 -2.964 -0.714 1.00 10.83 H new ATOM 56 N PHE A 4 4.508 -7.373 2.405 1.00 4.55 N ATOM 57 CA PHE A 4 3.266 -7.894 2.862 1.00 4.68 C ATOM 58 C PHE A 4 2.420 -6.638 3.180 1.00 5.30 C ATOM 59 O PHE A 4 2.926 -5.693 3.692 1.00 5.58 O ATOM 60 CB PHE A 4 3.518 -8.725 4.139 1.00 4.83 C ATOM 61 CG PHE A 4 4.413 -9.865 3.940 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.184 -10.917 3.051 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.570 -9.930 4.741 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.920 -12.118 3.055 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.317 -11.092 4.734 1.00 10.61 C ATOM 66 CZ PHE A 4 5.999 -12.198 3.889 1.00 8.90 C ATOM 0 H PHE A 4 5.012 -6.855 3.125 1.00 4.55 H new ATOM 0 HA PHE A 4 2.769 -8.543 2.141 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.939 -8.075 4.906 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.563 -9.088 4.518 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.398 -10.803 2.319 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.867 -9.088 5.349 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.641 -12.947 2.421 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.171 -11.166 5.391 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.607 -13.091 3.909 1.00 8.90 H new ATOM 76 N VAL A 5 1.148 -6.799 2.975 1.00 4.44 N ATOM 77 CA VAL A 5 0.143 -5.764 3.252 1.00 3.87 C ATOM 78 C VAL A 5 -0.860 -6.416 4.238 1.00 4.93 C ATOM 79 O VAL A 5 -1.479 -7.460 3.961 1.00 6.84 O ATOM 80 CB VAL A 5 -0.638 -5.287 2.041 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.565 -4.159 2.453 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.367 -4.807 0.932 1.00 9.13 C ATOM 0 H VAL A 5 0.751 -7.662 2.604 1.00 4.44 H new ATOM 0 HA VAL A 5 0.661 -4.884 3.632 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.240 -6.101 1.638 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.127 -3.815 1.585 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.257 -4.517 3.215 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.977 -3.334 2.856 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.190 -4.464 0.060 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.974 -3.989 1.320 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.015 -5.635 0.645 1.00 9.13 H new ATOM 92 N LYS A 6 -1.113 -5.896 5.409 1.00 6.04 N ATOM 93 CA LYS A 6 -2.127 -6.431 6.341 1.00 6.12 C ATOM 94 C LYS A 6 -3.337 -5.551 6.359 1.00 6.57 C ATOM 95 O LYS A 6 -3.231 -4.347 6.502 1.00 5.76 O ATOM 96 CB LYS A 6 -1.480 -6.539 7.785 1.00 7.45 C ATOM 97 CG LYS A 6 -2.377 -7.166 8.885 1.00 11.12 C ATOM 98 CD LYS A 6 -1.707 -7.239 10.282 1.00 14.54 C ATOM 99 CE LYS A 6 -2.374 -8.077 11.339 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.265 -9.559 11.076 1.00 20.55 N ATOM 0 H LYS A 6 -0.625 -5.076 5.768 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.447 -7.420 6.014 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.566 -7.128 7.709 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.189 -5.539 8.107 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.296 -6.585 8.964 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.661 -8.172 8.577 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.693 -7.615 10.147 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.622 -6.222 10.666 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.928 -7.852 12.308 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.427 -7.802 11.402 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.743 -10.083 11.837 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.715 -9.784 10.166 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.262 -9.833 11.044 1.00 20.55 H new ATOM 114 N THR A 7 -4.476 -6.202 6.284 1.00 7.41 N ATOM 115 CA THR A 7 -5.779 -5.502 6.211 1.00 7.48 C ATOM 116 C THR A 7 -6.363 -5.382 7.649 1.00 8.75 C ATOM 117 O THR A 7 -5.965 -6.031 8.625 1.00 8.58 O ATOM 118 CB THR A 7 -6.805 -6.032 5.186 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.494 -7.195 5.642 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.129 -6.406 3.815 1.00 9.17 C ATOM 0 H THR A 7 -4.547 -7.219 6.271 1.00 7.41 H new ATOM 0 HA THR A 7 -5.566 -4.516 5.798 1.00 7.48 H new ATOM 0 HB THR A 7 -7.511 -5.212 5.056 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.430 -7.155 5.353 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.887 -6.774 3.124 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.651 -5.522 3.392 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.380 -7.181 3.978 1.00 9.17 H new ATOM 128 N LEU A 8 -7.339 -4.477 7.810 1.00 9.84 N ATOM 129 CA LEU A 8 -8.232 -4.332 8.927 1.00 14.15 C ATOM 130 C LEU A 8 -9.538 -5.074 8.671 1.00 17.37 C ATOM 131 O LEU A 8 -10.430 -5.062 9.468 1.00 17.01 O ATOM 132 CB LEU A 8 -8.537 -2.879 9.301 1.00 16.63 C ATOM 133 CG LEU A 8 -7.322 -1.955 9.669 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.853 -0.526 9.775 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.687 -2.426 10.951 1.00 18.59 C ATOM 0 H LEU A 8 -7.524 -3.777 7.091 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.705 -4.769 9.775 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.067 -2.421 8.466 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.223 -2.887 10.148 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.544 -1.993 8.906 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.035 0.148 10.030 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.285 -0.227 8.820 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.618 -0.479 10.550 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.845 -1.780 11.199 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.421 -2.390 11.756 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.334 -3.450 10.828 1.00 18.59 H new ATOM 147 N THR A 9 -9.727 -5.740 7.526 1.00 18.33 N ATOM 148 CA THR A 9 -10.820 -6.659 7.303 1.00 19.24 C ATOM 149 C THR A 9 -10.499 -8.178 7.607 1.00 19.48 C ATOM 150 O THR A 9 -11.355 -9.085 7.649 1.00 23.14 O ATOM 151 CB THR A 9 -11.180 -6.707 5.804 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.111 -7.188 4.939 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.497 -5.268 5.303 1.00 19.70 C ATOM 0 H THR A 9 -9.107 -5.645 6.722 1.00 18.33 H new ATOM 0 HA THR A 9 -11.594 -6.280 7.970 1.00 19.24 H new ATOM 0 HB THR A 9 -12.022 -7.397 5.742 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.419 -7.190 4.009 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.752 -5.299 4.244 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.338 -4.863 5.867 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.624 -4.632 5.447 1.00 19.70 H new ATOM 161 N GLY A 10 -9.217 -8.433 7.869 1.00 19.43 N ATOM 162 CA GLY A 10 -8.805 -9.763 8.298 1.00 18.74 C ATOM 163 C GLY A 10 -8.260 -10.584 7.134 1.00 17.62 C ATOM 164 O GLY A 10 -8.929 -11.456 6.618 1.00 19.74 O ATOM 0 H GLY A 10 -8.463 -7.751 7.793 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.042 -9.676 9.072 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.654 -10.281 8.744 1.00 18.74 H new ATOM 168 N LYS A 11 -6.982 -10.337 6.823 1.00 13.56 N ATOM 169 CA LYS A 11 -6.125 -10.993 5.820 1.00 11.91 C ATOM 170 C LYS A 11 -4.867 -10.220 5.570 1.00 10.18 C ATOM 171 O LYS A 11 -4.782 -9.013 5.448 1.00 9.10 O ATOM 172 CB LYS A 11 -6.739 -11.309 4.450 1.00 13.43 C ATOM 173 CG LYS A 11 -7.047 -10.134 3.506 1.00 16.69 C ATOM 174 CD LYS A 11 -7.817 -10.485 2.222 1.00 17.92 C ATOM 175 CE LYS A 11 -7.242 -11.764 1.526 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.950 -12.039 0.243 1.00 21.93 N ATOM 0 H LYS A 11 -6.470 -9.603 7.312 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.945 -11.954 6.302 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.062 -11.986 3.929 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.668 -11.854 4.618 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.621 -9.391 4.059 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.105 -9.664 3.224 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.868 -10.644 2.462 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.771 -9.644 1.530 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.177 -11.631 1.336 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.343 -12.621 2.192 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.310 -12.539 -0.406 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.786 -12.629 0.428 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.248 -11.141 -0.188 1.00 21.93 H new ATOM 190 N THR A 12 -3.700 -10.935 5.460 1.00 9.63 N ATOM 191 CA THR A 12 -2.367 -10.379 5.117 1.00 9.85 C ATOM 192 C THR A 12 -2.088 -10.823 3.743 1.00 11.66 C ATOM 193 O THR A 12 -2.089 -12.064 3.452 1.00 12.33 O ATOM 194 CB THR A 12 -1.186 -10.699 6.050 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.437 -10.191 7.361 1.00 10.91 O ATOM 196 CG2 THR A 12 0.103 -10.056 5.539 1.00 9.63 C ATOM 0 H THR A 12 -3.672 -11.943 5.614 1.00 9.63 H new ATOM 0 HA THR A 12 -2.439 -9.298 5.235 1.00 9.85 H new ATOM 0 HB THR A 12 -1.076 -11.783 6.075 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.679 -10.403 7.945 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.923 -10.297 6.216 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.330 -10.437 4.544 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.023 -8.974 5.493 1.00 9.63 H new ATOM 204 N ILE A 13 -1.762 -9.943 2.773 1.00 10.42 N ATOM 205 CA ILE A 13 -1.512 -10.288 1.362 1.00 11.84 C ATOM 206 C ILE A 13 -0.044 -10.009 1.055 1.00 10.55 C ATOM 207 O ILE A 13 0.691 -9.472 1.829 1.00 11.92 O ATOM 208 CB ILE A 13 -2.468 -9.668 0.381 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.333 -8.120 0.367 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.944 -10.128 0.704 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.325 -7.421 -0.630 1.00 16.46 C ATOM 0 H ILE A 13 -1.663 -8.945 2.958 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.713 -11.351 1.229 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.217 -10.014 -0.622 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.509 -7.737 1.372 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.311 -7.853 0.099 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.631 -9.675 -0.011 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.011 -11.214 0.633 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.211 -9.813 1.713 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.179 -6.341 -0.591 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.134 -7.777 -1.642 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.351 -7.659 -0.349 1.00 16.46 H new ATOM 223 N THR A 14 0.432 -10.521 -0.132 1.00 9.39 N ATOM 224 CA THR A 14 1.770 -10.407 -0.584 1.00 9.63 C ATOM 225 C THR A 14 1.890 -9.756 -1.915 1.00 11.20 C ATOM 226 O THR A 14 1.086 -10.078 -2.767 1.00 11.63 O ATOM 227 CB THR A 14 2.560 -11.726 -0.621 1.00 10.38 C ATOM 228 OG1 THR A 14 2.602 -12.408 0.622 1.00 16.30 O ATOM 229 CG2 THR A 14 4.040 -11.526 -0.874 1.00 11.66 C ATOM 0 H THR A 14 -0.164 -11.031 -0.783 1.00 9.39 H new ATOM 0 HA THR A 14 2.215 -9.770 0.180 1.00 9.63 H new ATOM 0 HB THR A 14 2.033 -12.270 -1.405 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.454 -12.222 1.069 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.541 -12.494 -0.888 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.181 -11.030 -1.834 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.465 -10.910 -0.082 1.00 11.66 H new ATOM 237 N LEU A 15 2.886 -8.878 -2.054 1.00 8.29 N ATOM 238 CA LEU A 15 3.243 -8.164 -3.306 1.00 9.03 C ATOM 239 C LEU A 15 4.755 -8.169 -3.557 1.00 8.59 C ATOM 240 O LEU A 15 5.590 -8.351 -2.696 1.00 7.79 O ATOM 241 CB LEU A 15 2.844 -6.740 -3.281 1.00 11.08 C ATOM 242 CG LEU A 15 1.377 -6.397 -2.866 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.188 -4.824 -2.729 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.386 -6.867 -3.849 1.00 15.27 C ATOM 0 H LEU A 15 3.495 -8.628 -1.275 1.00 8.29 H new ATOM 0 HA LEU A 15 2.708 -8.702 -4.088 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.515 -6.217 -2.599 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.015 -6.328 -4.275 1.00 11.08 H new ATOM 0 HG LEU A 15 1.212 -6.903 -1.915 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.160 -4.605 -2.439 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.869 -4.441 -1.969 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.405 -4.347 -3.685 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.616 -6.602 -3.511 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.579 -6.397 -4.813 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.460 -7.950 -3.951 1.00 15.27 H new ATOM 256 N GLU A 16 5.061 -8.026 -4.879 1.00 11.04 N ATOM 257 CA GLU A 16 6.389 -7.878 -5.415 1.00 11.50 C ATOM 258 C GLU A 16 6.552 -6.497 -5.996 1.00 10.13 C ATOM 259 O GLU A 16 5.792 -6.084 -6.850 1.00 9.83 O ATOM 260 CB GLU A 16 6.790 -8.998 -6.413 1.00 17.22 C ATOM 261 CG GLU A 16 8.331 -9.069 -6.696 1.00 23.33 C ATOM 262 CD GLU A 16 8.637 -10.214 -7.667 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.455 -10.012 -8.938 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.057 -11.352 -7.240 1.00 28.90 O ATOM 0 H GLU A 16 4.342 -8.014 -5.602 1.00 11.04 H new ATOM 0 HA GLU A 16 7.090 -7.994 -4.588 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.457 -9.959 -6.020 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.264 -8.839 -7.354 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.675 -8.124 -7.116 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.873 -9.219 -5.762 1.00 23.33 H new ATOM 271 N VAL A 17 7.553 -5.779 -5.597 1.00 8.99 N ATOM 272 CA VAL A 17 7.846 -4.364 -5.966 1.00 8.85 C ATOM 273 C VAL A 17 9.367 -4.131 -5.876 1.00 8.04 C ATOM 274 O VAL A 17 10.164 -5.008 -5.564 1.00 8.99 O ATOM 275 CB VAL A 17 6.998 -3.351 -5.079 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.519 -3.351 -5.366 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.188 -3.809 -3.626 1.00 10.54 C ATOM 0 H VAL A 17 8.255 -6.158 -4.961 1.00 8.99 H new ATOM 0 HA VAL A 17 7.539 -4.172 -6.994 1.00 8.85 H new ATOM 0 HB VAL A 17 7.349 -2.342 -5.293 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.022 -2.631 -4.715 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.350 -3.076 -6.407 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.113 -4.346 -5.183 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.628 -3.151 -2.961 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.825 -4.831 -3.516 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.246 -3.771 -3.368 1.00 10.54 H new ATOM 287 N GLU A 18 9.735 -2.895 -6.241 1.00 7.29 N ATOM 288 CA GLU A 18 11.054 -2.388 -5.862 1.00 7.08 C ATOM 289 C GLU A 18 10.902 -1.234 -4.935 1.00 6.45 C ATOM 290 O GLU A 18 9.850 -0.619 -5.009 1.00 5.28 O ATOM 291 CB GLU A 18 11.859 -1.941 -7.108 1.00 10.28 C ATOM 292 CG GLU A 18 11.869 -2.909 -8.295 1.00 12.65 C ATOM 293 CD GLU A 18 12.674 -2.364 -9.405 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.911 -2.387 -9.284 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.030 -1.777 -10.374 1.00 18.17 O ATOM 0 H GLU A 18 9.158 -2.249 -6.780 1.00 7.29 H new ATOM 0 HA GLU A 18 11.597 -3.193 -5.368 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.459 -0.986 -7.449 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.890 -1.764 -6.803 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.275 -3.871 -7.983 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.848 -3.088 -8.633 1.00 12.65 H new ATOM 302 N PRO A 19 11.866 -0.809 -4.063 1.00 7.24 N ATOM 303 CA PRO A 19 11.652 0.324 -3.189 1.00 7.07 C ATOM 304 C PRO A 19 11.565 1.634 -3.920 1.00 6.65 C ATOM 305 O PRO A 19 11.151 2.681 -3.388 1.00 6.37 O ATOM 306 CB PRO A 19 12.796 0.317 -2.205 1.00 7.61 C ATOM 307 CG PRO A 19 13.863 -0.423 -2.983 1.00 8.16 C ATOM 308 CD PRO A 19 13.149 -1.460 -3.823 1.00 7.49 C ATOM 0 HA PRO A 19 10.687 0.228 -2.690 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.111 1.325 -1.935 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.536 -0.194 -1.278 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.428 0.263 -3.614 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.576 -0.896 -2.308 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.680 -1.673 -4.751 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.036 -2.407 -3.296 1.00 7.49 H new ATOM 316 N SER A 20 11.972 1.653 -5.197 1.00 6.80 N ATOM 317 CA SER A 20 11.887 2.833 -6.008 1.00 6.28 C ATOM 318 C SER A 20 10.518 3.005 -6.730 1.00 8.45 C ATOM 319 O SER A 20 10.265 3.998 -7.408 1.00 7.26 O ATOM 320 CB SER A 20 12.985 2.736 -7.085 1.00 8.57 C ATOM 321 OG SER A 20 12.945 1.526 -7.849 1.00 11.13 O ATOM 0 H SER A 20 12.365 0.844 -5.677 1.00 6.80 H new ATOM 0 HA SER A 20 12.006 3.691 -5.347 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.891 3.585 -7.762 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.960 2.818 -6.604 1.00 8.57 H new ATOM 0 HG SER A 20 13.667 1.534 -8.512 1.00 11.13 H new ATOM 327 N ASP A 21 9.519 2.119 -6.547 1.00 7.50 N ATOM 328 CA ASP A 21 8.154 2.204 -7.032 1.00 7.70 C ATOM 329 C ASP A 21 7.328 3.231 -6.244 1.00 7.08 C ATOM 330 O ASP A 21 7.657 3.495 -5.071 1.00 8.11 O ATOM 331 CB ASP A 21 7.415 0.837 -7.049 1.00 11.00 C ATOM 332 CG ASP A 21 8.023 -0.217 -7.972 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.705 0.266 -8.933 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.747 -1.428 -7.829 1.00 14.36 O ATOM 0 H ASP A 21 9.672 1.264 -6.013 1.00 7.50 H new ATOM 0 HA ASP A 21 8.244 2.537 -8.066 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.394 0.440 -6.034 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.380 1.005 -7.347 1.00 11.00 H new ATOM 339 N THR A 22 6.364 3.853 -6.891 1.00 5.37 N ATOM 340 CA THR A 22 5.519 4.841 -6.217 1.00 6.01 C ATOM 341 C THR A 22 4.320 4.057 -5.666 1.00 8.01 C ATOM 342 O THR A 22 3.955 2.964 -6.130 1.00 8.11 O ATOM 343 CB THR A 22 4.976 5.907 -7.118 1.00 8.92 C ATOM 344 OG1 THR A 22 4.378 5.342 -8.321 1.00 10.22 O ATOM 345 CG2 THR A 22 6.168 6.821 -7.706 1.00 9.65 C ATOM 0 H THR A 22 6.140 3.700 -7.874 1.00 5.37 H new ATOM 0 HA THR A 22 6.125 5.347 -5.466 1.00 6.01 H new ATOM 0 HB THR A 22 4.260 6.459 -6.509 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.033 6.065 -8.885 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.750 7.588 -8.358 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.703 7.295 -6.883 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.858 6.198 -8.275 1.00 9.65 H new ATOM 353 N ILE A 23 3.794 4.658 -4.586 1.00 8.32 N ATOM 354 CA ILE A 23 2.734 4.071 -3.751 1.00 9.92 C ATOM 355 C ILE A 23 1.445 3.830 -4.636 1.00 10.01 C ATOM 356 O ILE A 23 0.757 2.854 -4.571 1.00 8.71 O ATOM 357 CB ILE A 23 2.439 4.866 -2.494 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.696 5.165 -1.679 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.360 4.301 -1.583 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.296 3.932 -0.941 1.00 12.30 C ATOM 0 H ILE A 23 4.097 5.577 -4.264 1.00 8.32 H new ATOM 0 HA ILE A 23 3.094 3.111 -3.380 1.00 9.92 H new ATOM 0 HB ILE A 23 2.031 5.793 -2.896 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.454 5.579 -2.343 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.462 5.934 -0.943 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.236 4.953 -0.718 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.418 4.240 -2.129 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.651 3.305 -1.248 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.185 4.236 -0.388 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.558 3.528 -0.248 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.566 3.168 -1.670 1.00 12.30 H new ATOM 372 N GLU A 24 1.246 4.729 -5.594 1.00 9.54 N ATOM 373 CA GLU A 24 0.186 4.533 -6.596 1.00 11.81 C ATOM 374 C GLU A 24 0.177 3.192 -7.441 1.00 11.14 C ATOM 375 O GLU A 24 -0.858 2.568 -7.733 1.00 10.62 O ATOM 376 CB GLU A 24 0.357 5.686 -7.646 1.00 19.24 C ATOM 377 CG GLU A 24 -0.627 5.645 -8.867 1.00 27.76 C ATOM 378 CD GLU A 24 -0.372 6.772 -9.856 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.409 7.731 -9.549 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.957 6.740 -10.983 1.00 34.80 O ATOM 0 H GLU A 24 1.788 5.586 -5.704 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.735 4.508 -6.013 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.232 6.640 -7.134 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.379 5.659 -8.025 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.528 4.687 -9.378 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.653 5.708 -8.505 1.00 27.76 H new ATOM 387 N ASN A 25 1.397 2.768 -7.817 1.00 9.43 N ATOM 388 CA ASN A 25 1.632 1.454 -8.475 1.00 10.96 C ATOM 389 C ASN A 25 1.429 0.204 -7.574 1.00 9.68 C ATOM 390 O ASN A 25 0.991 -0.839 -8.082 1.00 9.33 O ATOM 391 CB ASN A 25 2.967 1.438 -9.216 1.00 16.78 C ATOM 392 CG ASN A 25 2.930 2.448 -10.406 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.255 2.220 -11.426 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.570 3.608 -10.273 1.00 24.70 N ATOM 0 H ASN A 25 2.246 3.316 -7.678 1.00 9.43 H new ATOM 0 HA ASN A 25 0.831 1.361 -9.209 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.775 1.699 -8.532 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.174 0.434 -9.587 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.508 4.312 -11.008 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.123 3.792 -9.436 1.00 24.70 H new ATOM 401 N VAL A 26 1.630 0.369 -6.231 1.00 6.52 N ATOM 402 CA VAL A 26 1.350 -0.673 -5.234 1.00 5.53 C ATOM 403 C VAL A 26 -0.175 -0.908 -5.156 1.00 4.42 C ATOM 404 O VAL A 26 -0.515 -2.052 -4.979 1.00 3.40 O ATOM 405 CB VAL A 26 1.726 -0.242 -3.834 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.704 -1.346 -2.807 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.159 0.264 -3.780 1.00 8.12 C ATOM 0 H VAL A 26 1.991 1.233 -5.826 1.00 6.52 H new ATOM 0 HA VAL A 26 1.920 -1.549 -5.544 1.00 5.53 H new ATOM 0 HB VAL A 26 0.976 0.514 -3.603 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.987 -0.944 -1.834 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.701 -1.768 -2.747 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.409 -2.126 -3.096 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.400 0.566 -2.761 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.837 -0.530 -4.093 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.268 1.119 -4.448 1.00 8.12 H new ATOM 417 N LYS A 27 -1.001 0.159 -5.165 1.00 2.64 N ATOM 418 CA LYS A 27 -2.443 0.119 -5.104 1.00 4.14 C ATOM 419 C LYS A 27 -3.054 -0.535 -6.269 1.00 5.58 C ATOM 420 O LYS A 27 -4.071 -1.232 -6.063 1.00 4.11 O ATOM 421 CB LYS A 27 -3.096 1.513 -4.980 1.00 3.97 C ATOM 422 CG LYS A 27 -2.706 2.170 -3.657 1.00 7.45 C ATOM 423 CD LYS A 27 -3.457 3.509 -3.474 1.00 9.02 C ATOM 424 CE LYS A 27 -3.092 4.152 -2.152 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.658 5.514 -1.964 1.00 15.47 N ATOM 0 H LYS A 27 -0.643 1.112 -5.218 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.634 -0.461 -4.201 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.783 2.143 -5.812 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.180 1.420 -5.041 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.939 1.500 -2.829 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.630 2.344 -3.634 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.210 4.185 -4.293 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.533 3.337 -3.516 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.437 3.511 -1.341 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.006 4.207 -2.074 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.057 6.052 -1.308 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.695 6.004 -2.881 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.618 5.440 -1.572 1.00 15.47 H new ATOM 439 N ALA A 28 -2.543 -0.381 -7.496 1.00 6.61 N ATOM 440 CA ALA A 28 -2.923 -1.124 -8.670 1.00 7.74 C ATOM 441 C ALA A 28 -2.694 -2.633 -8.509 1.00 9.17 C ATOM 442 O ALA A 28 -3.561 -3.544 -8.730 1.00 11.45 O ATOM 443 CB ALA A 28 -2.119 -0.581 -9.891 1.00 7.68 C ATOM 0 H ALA A 28 -1.815 0.306 -7.691 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.993 -0.987 -8.828 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.398 -1.136 -10.786 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.344 0.476 -10.034 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.052 -0.703 -9.707 1.00 7.68 H new ATOM 449 N LYS A 29 -1.488 -2.951 -7.989 1.00 8.96 N ATOM 450 CA LYS A 29 -1.209 -4.363 -7.664 1.00 7.90 C ATOM 451 C LYS A 29 -2.255 -4.953 -6.595 1.00 6.92 C ATOM 452 O LYS A 29 -2.670 -6.113 -6.697 1.00 6.87 O ATOM 453 CB LYS A 29 0.231 -4.424 -7.149 1.00 10.28 C ATOM 454 CG LYS A 29 1.254 -4.203 -8.293 1.00 14.94 C ATOM 455 CD LYS A 29 2.784 -4.397 -7.987 1.00 19.69 C ATOM 456 CE LYS A 29 3.558 -4.778 -9.241 1.00 22.63 C ATOM 457 NZ LYS A 29 3.830 -3.586 -10.079 1.00 24.98 N ATOM 0 H LYS A 29 -0.734 -2.292 -7.795 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.324 -4.987 -8.550 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.375 -3.666 -6.379 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.410 -5.392 -6.681 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.991 -4.880 -9.106 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.118 -3.188 -8.666 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.193 -3.476 -7.571 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.910 -5.172 -7.231 1.00 19.69 H new ATOM 0 HE2 LYS A 29 4.498 -5.253 -8.962 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.989 -5.509 -9.816 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.359 -3.872 -10.928 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.930 -3.148 -10.362 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.392 -2.900 -9.535 1.00 24.98 H new ATOM 471 N ILE A 30 -2.645 -4.185 -5.570 1.00 4.57 N ATOM 472 CA ILE A 30 -3.704 -4.620 -4.612 1.00 5.58 C ATOM 473 C ILE A 30 -4.991 -4.865 -5.304 1.00 7.26 C ATOM 474 O ILE A 30 -5.597 -5.917 -5.122 1.00 9.46 O ATOM 475 CB ILE A 30 -3.799 -3.663 -3.424 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.557 -3.698 -2.582 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.119 -3.787 -2.591 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.347 -2.526 -1.630 1.00 2.00 C ATOM 0 H ILE A 30 -2.255 -3.264 -5.372 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.421 -5.583 -4.187 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.863 -2.665 -3.857 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.569 -4.616 -1.995 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.695 -3.756 -3.247 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.099 -3.071 -1.769 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.975 -3.579 -3.233 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.203 -4.797 -2.190 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.417 -2.667 -1.079 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.293 -1.599 -2.201 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.180 -2.473 -0.929 1.00 2.00 H new ATOM 490 N GLN A 31 -5.391 -3.960 -6.176 1.00 7.06 N ATOM 491 CA GLN A 31 -6.599 -4.046 -6.933 1.00 8.67 C ATOM 492 C GLN A 31 -6.599 -5.263 -7.758 1.00 10.90 C ATOM 493 O GLN A 31 -7.616 -5.972 -7.767 1.00 9.63 O ATOM 494 CB GLN A 31 -6.776 -2.836 -7.838 1.00 9.12 C ATOM 495 CG GLN A 31 -8.075 -2.717 -8.643 1.00 10.76 C ATOM 496 CD GLN A 31 -8.030 -1.433 -9.373 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.055 -0.757 -9.323 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.949 -1.096 -10.113 1.00 14.76 N ATOM 0 H GLN A 31 -4.854 -3.116 -6.375 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.426 -4.078 -6.223 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.684 -1.942 -7.221 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.945 -2.823 -8.543 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.172 -3.550 -9.339 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.940 -2.752 -7.981 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.125 -1.697 -10.115 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.958 -0.241 -10.669 1.00 14.76 H new ATOM 507 N ASP A 32 -5.422 -5.553 -8.455 1.00 10.93 N ATOM 508 CA ASP A 32 -5.326 -6.727 -9.291 1.00 14.01 C ATOM 509 C ASP A 32 -5.686 -8.097 -8.495 1.00 14.04 C ATOM 510 O ASP A 32 -6.502 -8.817 -8.997 1.00 13.39 O ATOM 511 CB ASP A 32 -3.899 -6.783 -9.926 1.00 18.01 C ATOM 512 CG ASP A 32 -3.814 -7.841 -11.042 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.348 -7.621 -12.152 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.263 -8.934 -10.801 1.00 25.17 O ATOM 0 H ASP A 32 -4.579 -4.979 -8.425 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.072 -6.648 -10.082 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.642 -5.804 -10.332 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.165 -7.010 -9.153 1.00 18.01 H new ATOM 519 N LYS A 33 -5.128 -8.292 -7.287 1.00 14.22 N ATOM 520 CA LYS A 33 -5.340 -9.393 -6.358 1.00 14.00 C ATOM 521 C LYS A 33 -6.692 -9.338 -5.691 1.00 12.37 C ATOM 522 O LYS A 33 -7.365 -10.332 -5.590 1.00 12.17 O ATOM 523 CB LYS A 33 -4.252 -9.586 -5.249 1.00 18.62 C ATOM 524 CG LYS A 33 -2.926 -9.991 -5.906 1.00 24.00 C ATOM 525 CD LYS A 33 -1.945 -10.420 -4.842 1.00 27.61 C ATOM 526 CE LYS A 33 -0.699 -11.000 -5.557 1.00 27.64 C ATOM 527 NZ LYS A 33 0.163 -11.731 -4.576 1.00 30.06 N ATOM 0 H LYS A 33 -4.460 -7.618 -6.912 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.268 -10.257 -7.019 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.124 -8.663 -4.684 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.569 -10.352 -4.541 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.092 -10.805 -6.612 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.519 -9.154 -6.474 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.666 -9.573 -4.215 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.393 -11.168 -4.188 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.009 -11.675 -6.354 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.131 -10.196 -6.024 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.741 -12.434 -5.079 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.786 -11.055 -4.089 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.438 -12.213 -3.877 1.00 30.06 H new ATOM 541 N GLU A 34 -7.182 -8.170 -5.196 1.00 10.11 N ATOM 542 CA GLU A 34 -8.265 -8.144 -4.243 1.00 10.07 C ATOM 543 C GLU A 34 -9.508 -7.392 -4.678 1.00 9.32 C ATOM 544 O GLU A 34 -10.500 -7.343 -3.941 1.00 11.61 O ATOM 545 CB GLU A 34 -7.721 -7.496 -2.939 1.00 14.77 C ATOM 546 CG GLU A 34 -6.578 -8.209 -2.184 1.00 18.75 C ATOM 547 CD GLU A 34 -6.989 -9.552 -1.634 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.103 -9.708 -1.099 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.224 -10.543 -1.781 1.00 21.95 O ATOM 0 H GLU A 34 -6.828 -7.249 -5.456 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.589 -9.177 -4.118 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.379 -6.491 -3.186 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.557 -7.388 -2.249 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.731 -8.341 -2.857 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.238 -7.575 -1.365 1.00 18.75 H new ATOM 556 N GLY A 35 -9.564 -6.783 -5.911 1.00 7.22 N ATOM 557 CA GLY A 35 -10.801 -6.206 -6.324 1.00 6.29 C ATOM 558 C GLY A 35 -11.107 -4.776 -5.760 1.00 6.93 C ATOM 559 O GLY A 35 -12.282 -4.345 -5.780 1.00 7.41 O ATOM 0 H GLY A 35 -8.790 -6.703 -6.571 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.812 -6.157 -7.413 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.609 -6.874 -6.027 1.00 6.29 H new ATOM 563 N ILE A 36 -10.118 -4.068 -5.225 1.00 5.86 N ATOM 564 CA ILE A 36 -10.306 -2.804 -4.497 1.00 6.07 C ATOM 565 C ILE A 36 -9.796 -1.633 -5.249 1.00 6.36 C ATOM 566 O ILE A 36 -8.569 -1.560 -5.497 1.00 6.18 O ATOM 567 CB ILE A 36 -9.588 -2.865 -3.126 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.011 -4.037 -2.186 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.805 -1.511 -2.401 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.921 -4.337 -1.153 1.00 9.49 C ATOM 0 H ILE A 36 -9.141 -4.357 -5.283 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.380 -2.679 -4.362 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.538 -3.059 -3.347 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.939 -3.781 -1.675 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.209 -4.930 -2.779 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.307 -1.533 -1.432 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.389 -0.704 -3.005 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.872 -1.343 -2.256 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.243 -5.158 -0.512 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.001 -4.617 -1.666 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.742 -3.450 -0.545 1.00 9.49 H new ATOM 582 N PRO A 37 -10.581 -0.706 -5.612 1.00 8.65 N ATOM 583 CA PRO A 37 -10.167 0.639 -6.070 1.00 9.18 C ATOM 584 C PRO A 37 -9.018 1.397 -5.393 1.00 9.85 C ATOM 585 O PRO A 37 -9.046 1.534 -4.171 1.00 8.51 O ATOM 586 CB PRO A 37 -11.504 1.410 -5.906 1.00 11.42 C ATOM 587 CG PRO A 37 -12.593 0.427 -6.194 1.00 9.27 C ATOM 588 CD PRO A 37 -12.025 -0.737 -5.425 1.00 8.33 C ATOM 0 HA PRO A 37 -9.715 0.544 -7.057 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.600 1.812 -4.897 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.552 2.256 -6.592 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.566 0.748 -5.824 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.709 0.219 -7.258 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.279 -0.661 -4.368 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.441 -1.678 -5.786 1.00 8.33 H new ATOM 596 N PRO A 38 -7.951 1.908 -6.078 1.00 8.71 N ATOM 597 CA PRO A 38 -6.865 2.689 -5.467 1.00 9.08 C ATOM 598 C PRO A 38 -7.350 3.940 -4.722 1.00 9.28 C ATOM 599 O PRO A 38 -6.724 4.376 -3.769 1.00 6.50 O ATOM 600 CB PRO A 38 -5.902 3.007 -6.630 1.00 10.31 C ATOM 601 CG PRO A 38 -6.210 1.895 -7.638 1.00 10.81 C ATOM 602 CD PRO A 38 -7.647 1.580 -7.454 1.00 12.00 C ATOM 0 HA PRO A 38 -6.369 2.124 -4.678 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.087 3.996 -7.049 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.860 2.986 -6.310 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.008 2.223 -8.658 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.590 1.018 -7.456 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.265 2.160 -8.140 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.846 0.528 -7.658 1.00 12.00 H new ATOM 610 N ASP A 39 -8.396 4.599 -5.111 1.00 11.20 N ATOM 611 CA ASP A 39 -8.999 5.777 -4.442 1.00 14.96 C ATOM 612 C ASP A 39 -9.697 5.379 -3.121 1.00 13.99 C ATOM 613 O ASP A 39 -9.834 6.167 -2.222 1.00 13.75 O ATOM 614 CB ASP A 39 -10.115 6.456 -5.289 1.00 24.16 C ATOM 615 CG ASP A 39 -9.393 7.135 -6.458 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.683 8.108 -6.173 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.652 6.667 -7.603 1.00 35.55 O ATOM 0 H ASP A 39 -8.906 4.336 -5.954 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.160 6.455 -4.287 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.836 5.721 -5.648 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.669 7.183 -4.696 1.00 24.16 H new ATOM 622 N GLN A 40 -10.096 4.089 -2.922 1.00 11.60 N ATOM 623 CA GLN A 40 -10.743 3.593 -1.729 1.00 10.76 C ATOM 624 C GLN A 40 -9.584 3.306 -0.749 1.00 8.01 C ATOM 625 O GLN A 40 -9.809 3.140 0.450 1.00 8.96 O ATOM 626 CB GLN A 40 -11.626 2.406 -2.015 1.00 11.14 C ATOM 627 CG GLN A 40 -12.597 2.028 -0.861 1.00 14.85 C ATOM 628 CD GLN A 40 -13.483 0.769 -1.110 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.072 -0.316 -0.778 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.630 0.959 -1.774 1.00 18.16 N ATOM 0 H GLN A 40 -9.959 3.364 -3.627 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.440 4.310 -1.295 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.211 2.613 -2.911 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.995 1.546 -2.238 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.011 1.865 0.044 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.251 2.878 -0.668 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.923 1.903 -2.026 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.211 0.160 -2.027 1.00 18.16 H new ATOM 639 N GLN A 41 -8.292 3.139 -1.167 1.00 6.52 N ATOM 640 CA GLN A 41 -7.240 2.649 -0.327 1.00 3.87 C ATOM 641 C GLN A 41 -6.457 3.793 0.316 1.00 4.79 C ATOM 642 O GLN A 41 -5.934 4.765 -0.322 1.00 6.34 O ATOM 643 CB GLN A 41 -6.185 1.718 -1.002 1.00 4.20 C ATOM 644 CG GLN A 41 -6.776 0.537 -1.825 1.00 3.20 C ATOM 645 CD GLN A 41 -5.695 -0.093 -2.719 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.501 -0.044 -2.391 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.061 -0.724 -3.871 1.00 7.13 N ATOM 0 H GLN A 41 -7.985 3.354 -2.116 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.791 2.050 0.398 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.559 2.321 -1.660 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.534 1.311 -0.228 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.182 -0.216 -1.150 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.603 0.893 -2.440 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.044 -0.764 -4.140 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.352 -1.156 -4.463 1.00 7.13 H new ATOM 656 N ARG A 42 -6.287 3.658 1.645 1.00 5.73 N ATOM 657 CA ARG A 42 -5.419 4.481 2.410 1.00 6.97 C ATOM 658 C ARG A 42 -4.278 3.613 3.021 1.00 7.15 C ATOM 659 O ARG A 42 -4.409 2.781 3.877 1.00 7.33 O ATOM 660 CB ARG A 42 -6.109 5.162 3.513 1.00 13.23 C ATOM 661 CG ARG A 42 -7.364 5.974 3.070 1.00 21.27 C ATOM 662 CD ARG A 42 -7.705 7.162 4.017 1.00 26.14 C ATOM 663 NE ARG A 42 -8.695 7.883 3.257 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.946 8.086 3.697 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.524 7.409 4.651 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.634 8.980 3.013 1.00 36.39 N ATOM 0 H ARG A 42 -6.772 2.952 2.199 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.027 5.238 1.730 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.411 4.420 4.252 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.408 5.836 4.006 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.201 6.358 2.063 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.221 5.303 3.020 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.097 6.820 4.975 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.830 7.776 4.232 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.433 8.255 2.344 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.018 6.660 5.123 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.482 7.629 4.925 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.205 9.454 2.218 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.595 9.197 3.279 1.00 36.39 H new ATOM 680 N LEU A 43 -3.068 3.803 2.541 1.00 4.65 N ATOM 681 CA LEU A 43 -1.960 2.900 2.923 1.00 3.51 C ATOM 682 C LEU A 43 -1.204 3.515 4.038 1.00 5.56 C ATOM 683 O LEU A 43 -0.957 4.726 4.030 1.00 4.19 O ATOM 684 CB LEU A 43 -1.067 2.488 1.811 1.00 3.74 C ATOM 685 CG LEU A 43 -1.752 1.565 0.827 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.954 1.518 -0.512 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.989 0.159 1.441 1.00 6.41 C ATOM 0 H LEU A 43 -2.811 4.552 1.898 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.415 1.962 3.242 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.714 3.375 1.286 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.189 1.989 2.221 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.741 1.962 0.599 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.457 0.851 -1.212 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.901 2.519 -0.939 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.055 1.151 -0.322 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.483 -0.479 0.708 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.032 -0.282 1.720 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.619 0.250 2.326 1.00 6.41 H new ATOM 699 N ILE A 44 -0.860 2.728 5.108 1.00 4.58 N ATOM 700 CA ILE A 44 -0.159 3.155 6.339 1.00 5.55 C ATOM 701 C ILE A 44 1.063 2.270 6.613 1.00 5.46 C ATOM 702 O ILE A 44 1.084 1.014 6.492 1.00 6.04 O ATOM 703 CB ILE A 44 -1.120 3.184 7.597 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.137 4.348 7.295 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.294 3.409 8.855 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.350 4.301 8.262 1.00 13.90 C ATOM 0 H ILE A 44 -1.081 1.732 5.123 1.00 4.58 H new ATOM 0 HA ILE A 44 0.183 4.176 6.169 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.660 2.253 7.768 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.631 5.309 7.389 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.487 4.271 6.265 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.952 3.430 9.724 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.428 2.600 8.966 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.235 4.359 8.778 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.034 5.117 8.028 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.869 3.349 8.149 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.001 4.404 9.289 1.00 13.90 H new ATOM 718 N PHE A 45 2.208 2.903 7.012 1.00 6.75 N ATOM 719 CA PHE A 45 3.275 2.123 7.496 1.00 4.70 C ATOM 720 C PHE A 45 3.906 3.057 8.621 1.00 6.34 C ATOM 721 O PHE A 45 3.846 4.269 8.476 1.00 5.45 O ATOM 722 CB PHE A 45 4.221 1.705 6.371 1.00 5.51 C ATOM 723 CG PHE A 45 5.592 1.329 6.931 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.784 0.020 7.445 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.605 2.281 7.020 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.039 -0.295 8.001 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.841 1.965 7.664 1.00 6.64 C ATOM 728 CZ PHE A 45 7.989 0.701 8.244 1.00 6.84 C ATOM 0 H PHE A 45 2.366 3.910 6.992 1.00 6.75 H new ATOM 0 HA PHE A 45 2.989 1.157 7.912 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.799 0.858 5.830 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.326 2.520 5.655 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.991 -0.713 7.411 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.455 3.264 6.600 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.271 -1.322 8.243 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.644 2.687 7.702 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.837 0.495 8.880 1.00 6.84 H new ATOM 738 N ALA A 46 4.370 2.604 9.732 1.00 6.53 N ATOM 739 CA ALA A 46 4.902 3.292 10.854 1.00 7.15 C ATOM 740 C ALA A 46 3.991 4.319 11.357 1.00 9.00 C ATOM 741 O ALA A 46 4.419 5.392 11.885 1.00 11.15 O ATOM 742 CB ALA A 46 6.378 3.749 10.622 1.00 8.99 C ATOM 0 H ALA A 46 4.386 1.597 9.895 1.00 6.53 H new ATOM 0 HA ALA A 46 4.976 2.584 11.679 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.741 4.271 11.508 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.004 2.877 10.433 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.421 4.419 9.763 1.00 8.99 H new ATOM 748 N GLY A 47 2.661 4.157 11.275 1.00 9.35 N ATOM 749 CA GLY A 47 1.706 5.217 11.743 1.00 11.68 C ATOM 750 C GLY A 47 1.561 6.412 10.779 1.00 11.14 C ATOM 751 O GLY A 47 0.959 7.412 11.083 1.00 13.93 O ATOM 0 H GLY A 47 2.212 3.322 10.898 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.725 4.765 11.893 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.039 5.586 12.713 1.00 11.68 H new ATOM 755 N LYS A 48 2.124 6.300 9.524 1.00 10.47 N ATOM 756 CA LYS A 48 2.176 7.464 8.546 1.00 8.82 C ATOM 757 C LYS A 48 1.326 7.080 7.391 1.00 7.68 C ATOM 758 O LYS A 48 1.473 5.967 6.857 1.00 6.47 O ATOM 759 CB LYS A 48 3.610 7.671 7.894 1.00 9.74 C ATOM 760 CG LYS A 48 4.664 8.140 8.934 1.00 14.14 C ATOM 761 CD LYS A 48 6.039 8.309 8.229 1.00 16.32 C ATOM 762 CE LYS A 48 7.170 8.723 9.172 1.00 20.04 C ATOM 763 NZ LYS A 48 8.444 8.535 8.482 1.00 23.92 N ATOM 0 H LYS A 48 2.540 5.439 9.168 1.00 10.47 H new ATOM 0 HA LYS A 48 1.880 8.359 9.093 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.940 6.736 7.441 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.540 8.406 7.093 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.354 9.083 9.383 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.743 7.413 9.742 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.307 7.369 7.746 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.943 9.056 7.441 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.052 9.765 9.471 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.141 8.125 10.083 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.224 8.813 9.111 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.552 7.535 8.218 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.465 9.123 7.625 1.00 23.92 H new ATOM 777 N GLN A 49 0.414 7.994 6.934 1.00 8.89 N ATOM 778 CA GLN A 49 -0.347 7.618 5.720 1.00 7.18 C ATOM 779 C GLN A 49 0.365 7.992 4.468 1.00 8.23 C ATOM 780 O GLN A 49 0.929 9.084 4.358 1.00 9.70 O ATOM 781 CB GLN A 49 -1.729 8.306 5.777 1.00 11.67 C ATOM 782 CG GLN A 49 -2.705 7.842 4.722 1.00 15.82 C ATOM 783 CD GLN A 49 -4.042 8.541 4.901 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.823 8.258 5.836 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.332 9.427 3.886 1.00 20.67 N ATOM 0 H GLN A 49 0.207 8.905 7.344 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.458 6.534 5.703 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.167 8.132 6.760 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.589 9.382 5.676 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.306 8.052 3.730 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.839 6.762 4.790 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.644 9.609 3.155 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.235 9.901 3.865 1.00 20.67 H new ATOM 794 N LEU A 50 0.527 7.063 3.560 1.00 6.51 N ATOM 795 CA LEU A 50 1.414 7.097 2.451 1.00 7.41 C ATOM 796 C LEU A 50 0.748 7.875 1.257 1.00 8.27 C ATOM 797 O LEU A 50 -0.466 7.754 1.066 1.00 8.34 O ATOM 798 CB LEU A 50 1.771 5.657 2.024 1.00 7.13 C ATOM 799 CG LEU A 50 2.333 4.783 3.231 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.886 3.444 2.814 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.575 5.452 3.917 1.00 9.11 C ATOM 0 H LEU A 50 -0.009 6.196 3.591 1.00 6.51 H new ATOM 0 HA LEU A 50 2.329 7.615 2.737 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.885 5.174 1.612 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.515 5.692 1.228 1.00 7.13 H new ATOM 0 HG LEU A 50 1.461 4.689 3.878 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.248 2.910 3.693 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.101 2.860 2.333 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.709 3.592 2.114 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.924 4.820 4.734 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.374 5.573 3.185 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.292 6.429 4.309 1.00 9.11 H new ATOM 813 N GLU A 51 1.477 8.737 0.491 1.00 9.43 N ATOM 814 CA GLU A 51 0.980 9.555 -0.585 1.00 11.90 C ATOM 815 C GLU A 51 1.325 8.767 -1.824 1.00 11.49 C ATOM 816 O GLU A 51 2.447 8.347 -2.072 1.00 9.88 O ATOM 817 CB GLU A 51 1.435 11.083 -0.641 1.00 16.56 C ATOM 818 CG GLU A 51 1.162 11.835 -1.971 1.00 26.06 C ATOM 819 CD GLU A 51 1.637 13.233 -1.810 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.086 14.022 -1.003 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.671 13.553 -2.455 1.00 32.13 O ATOM 0 H GLU A 51 2.478 8.865 0.640 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.089 9.720 -0.449 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.932 11.619 0.164 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.504 11.129 -0.436 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.680 11.349 -2.798 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.098 11.818 -2.207 1.00 26.06 H new ATOM 828 N ASP A 52 0.311 8.631 -2.687 1.00 12.71 N ATOM 829 CA ASP A 52 0.372 7.991 -3.959 1.00 16.56 C ATOM 830 C ASP A 52 1.427 8.475 -4.915 1.00 15.83 C ATOM 831 O ASP A 52 2.126 7.590 -5.439 1.00 17.21 O ATOM 832 CB ASP A 52 -0.913 8.238 -4.743 1.00 21.05 C ATOM 833 CG ASP A 52 -2.155 7.900 -3.980 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.583 8.698 -3.143 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.712 6.813 -4.148 1.00 28.37 O ATOM 0 H ASP A 52 -0.619 8.995 -2.481 1.00 12.71 H new ATOM 0 HA ASP A 52 0.575 6.959 -3.674 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.952 9.286 -5.039 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.888 7.649 -5.660 1.00 21.05 H new ATOM 840 N GLY A 53 1.730 9.776 -5.063 1.00 15.00 N ATOM 841 CA GLY A 53 2.833 10.316 -5.895 1.00 11.77 C ATOM 842 C GLY A 53 4.259 10.199 -5.398 1.00 11.10 C ATOM 843 O GLY A 53 5.200 10.679 -6.020 1.00 11.25 O ATOM 0 H GLY A 53 1.200 10.510 -4.593 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.783 9.824 -6.866 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.630 11.374 -6.063 1.00 11.77 H new ATOM 847 N ARG A 54 4.463 9.618 -4.159 1.00 8.53 N ATOM 848 CA ARG A 54 5.793 9.493 -3.613 1.00 9.05 C ATOM 849 C ARG A 54 6.295 8.042 -3.771 1.00 8.96 C ATOM 850 O ARG A 54 5.549 7.131 -4.190 1.00 11.60 O ATOM 851 CB ARG A 54 5.876 9.922 -2.130 1.00 7.97 C ATOM 852 CG ARG A 54 5.110 11.259 -1.932 1.00 9.62 C ATOM 853 CD ARG A 54 5.384 11.867 -0.565 1.00 12.20 C ATOM 854 NE ARG A 54 4.534 13.140 -0.412 1.00 18.23 N ATOM 855 CZ ARG A 54 4.152 13.617 0.777 1.00 22.08 C ATOM 856 NH1 ARG A 54 4.868 13.325 1.915 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.993 14.204 0.952 1.00 23.38 N ATOM 0 H ARG A 54 3.720 9.251 -3.565 1.00 8.53 H new ATOM 0 HA ARG A 54 6.433 10.172 -4.177 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.449 9.148 -1.492 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.918 10.040 -1.833 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.403 11.965 -2.709 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.040 11.086 -2.045 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.140 11.153 0.222 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.443 12.105 -0.463 1.00 12.20 H new ATOM 0 HE ARG A 54 4.250 13.641 -1.254 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.701 12.739 1.857 1.00 25.50 H new ATOM 0 HH12 ARG A 54 4.566 13.695 2.816 1.00 25.50 H new ATOM 0 HH21 ARG A 54 2.350 14.308 0.167 1.00 23.38 H new ATOM 0 HH22 ARG A 54 2.734 14.556 1.873 1.00 23.38 H new ATOM 871 N THR A 55 7.544 7.736 -3.406 1.00 9.05 N ATOM 872 CA THR A 55 8.101 6.361 -3.565 1.00 9.03 C ATOM 873 C THR A 55 8.003 5.517 -2.238 1.00 8.15 C ATOM 874 O THR A 55 7.853 5.987 -1.133 1.00 5.91 O ATOM 875 CB THR A 55 9.513 6.276 -4.072 1.00 11.15 C ATOM 876 OG1 THR A 55 10.444 6.934 -3.194 1.00 11.95 O ATOM 877 CG2 THR A 55 9.572 6.841 -5.513 1.00 11.71 C ATOM 0 H THR A 55 8.196 8.407 -3.000 1.00 9.05 H new ATOM 0 HA THR A 55 7.461 5.943 -4.342 1.00 9.03 H new ATOM 0 HB THR A 55 9.816 5.229 -4.093 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.154 6.308 -2.941 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.595 6.782 -5.886 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.916 6.258 -6.159 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.247 7.881 -5.509 1.00 11.71 H new ATOM 885 N LEU A 56 8.201 4.182 -2.374 1.00 6.91 N ATOM 886 CA LEU A 56 8.249 3.271 -1.195 1.00 8.29 C ATOM 887 C LEU A 56 9.422 3.564 -0.335 1.00 8.05 C ATOM 888 O LEU A 56 9.430 3.648 0.905 1.00 10.17 O ATOM 889 CB LEU A 56 8.224 1.758 -1.681 1.00 6.60 C ATOM 890 CG LEU A 56 6.925 1.204 -2.147 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.073 -0.166 -2.932 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.026 0.878 -0.931 1.00 8.64 C ATOM 0 H LEU A 56 8.329 3.715 -3.272 1.00 6.91 H new ATOM 0 HA LEU A 56 7.365 3.442 -0.580 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.944 1.654 -2.493 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.579 1.136 -0.859 1.00 6.60 H new ATOM 0 HG LEU A 56 6.506 1.967 -2.804 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.089 -0.515 -3.244 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.700 -0.016 -3.811 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.533 -0.910 -2.282 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.076 0.473 -1.279 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.523 0.144 -0.297 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.844 1.788 -0.359 1.00 8.64 H new ATOM 904 N SER A 57 10.572 3.864 -1.027 1.00 8.92 N ATOM 905 CA SER A 57 11.947 4.121 -0.419 1.00 9.00 C ATOM 906 C SER A 57 11.894 5.321 0.554 1.00 9.44 C ATOM 907 O SER A 57 12.515 5.206 1.621 1.00 10.91 O ATOM 908 CB SER A 57 13.134 4.390 -1.445 1.00 10.32 C ATOM 909 OG SER A 57 12.695 5.539 -2.235 1.00 13.59 O ATOM 0 H SER A 57 10.580 3.938 -2.044 1.00 8.92 H new ATOM 0 HA SER A 57 12.177 3.181 0.082 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.067 4.603 -0.923 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.314 3.521 -2.078 1.00 10.32 H new ATOM 0 HG SER A 57 13.384 5.765 -2.894 1.00 13.59 H new ATOM 915 N ASP A 58 11.183 6.402 0.238 1.00 9.11 N ATOM 916 CA ASP A 58 11.271 7.639 1.002 1.00 7.91 C ATOM 917 C ASP A 58 10.632 7.527 2.338 1.00 9.12 C ATOM 918 O ASP A 58 11.031 8.183 3.276 1.00 8.61 O ATOM 919 CB ASP A 58 10.591 8.825 0.195 1.00 8.41 C ATOM 920 CG ASP A 58 11.002 10.226 0.720 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.175 10.616 0.715 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.032 10.909 1.129 1.00 10.05 O ATOM 0 H ASP A 58 10.535 6.443 -0.549 1.00 9.11 H new ATOM 0 HA ASP A 58 12.331 7.844 1.156 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.861 8.743 -0.858 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.507 8.724 0.254 1.00 8.41 H new ATOM 927 N TYR A 59 9.685 6.547 2.414 1.00 7.97 N ATOM 928 CA TYR A 59 8.990 6.163 3.579 1.00 8.45 C ATOM 929 C TYR A 59 9.650 5.031 4.325 1.00 10.98 C ATOM 930 O TYR A 59 9.155 4.572 5.380 1.00 12.95 O ATOM 931 CB TYR A 59 7.537 5.652 3.273 1.00 7.94 C ATOM 932 CG TYR A 59 6.632 6.830 2.903 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.293 7.908 3.773 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.015 6.826 1.701 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.465 8.927 3.425 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.158 7.809 1.222 1.00 6.52 C ATOM 937 CZ TYR A 59 4.870 8.847 2.142 1.00 6.76 C ATOM 938 OH TYR A 59 3.794 9.685 1.755 1.00 7.63 O ATOM 0 H TYR A 59 9.406 6.004 1.597 1.00 7.97 H new ATOM 0 HA TYR A 59 8.984 7.075 4.176 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.561 4.931 2.456 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.135 5.134 4.143 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.719 7.915 4.765 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.205 5.982 1.054 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.271 9.754 4.091 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.743 7.784 0.225 1.00 6.52 H new ATOM 0 HH TYR A 59 3.861 10.542 2.226 1.00 7.63 H new ATOM 948 N ASN A 60 10.799 4.608 3.822 1.00 12.38 N ATOM 949 CA ASN A 60 11.765 3.663 4.395 1.00 13.94 C ATOM 950 C ASN A 60 11.220 2.240 4.491 1.00 14.16 C ATOM 951 O ASN A 60 11.325 1.538 5.479 1.00 14.26 O ATOM 952 CB ASN A 60 12.299 4.200 5.761 1.00 19.23 C ATOM 953 CG ASN A 60 12.864 5.672 5.784 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.964 6.296 6.875 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.316 6.236 4.618 1.00 24.09 N ATOM 0 H ASN A 60 11.116 4.947 2.914 1.00 12.38 H new ATOM 0 HA ASN A 60 12.609 3.593 3.709 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.490 4.137 6.489 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.088 3.530 6.103 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.736 7.165 4.630 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.232 5.726 3.739 1.00 24.09 H new ATOM 962 N ILE A 61 10.657 1.755 3.351 1.00 11.08 N ATOM 963 CA ILE A 61 10.042 0.432 3.355 1.00 11.78 C ATOM 964 C ILE A 61 11.064 -0.578 2.867 1.00 13.74 C ATOM 965 O ILE A 61 11.564 -0.491 1.754 1.00 14.60 O ATOM 966 CB ILE A 61 8.736 0.383 2.551 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.698 1.134 3.414 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.280 -1.097 2.322 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.531 1.690 2.563 1.00 11.42 C ATOM 0 H ILE A 61 10.624 2.249 2.459 1.00 11.08 H new ATOM 0 HA ILE A 61 9.749 0.181 4.374 1.00 11.78 H new ATOM 0 HB ILE A 61 8.854 0.833 1.565 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.303 0.460 4.175 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.188 1.955 3.938 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.352 -1.107 1.750 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.052 -1.634 1.771 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.118 -1.581 3.285 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.825 2.210 3.210 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.922 2.385 1.819 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.024 0.867 2.060 1.00 11.42 H new ATOM 981 N GLN A 62 11.425 -1.474 3.844 1.00 13.97 N ATOM 982 CA GLN A 62 12.368 -2.542 3.606 1.00 15.52 C ATOM 983 C GLN A 62 11.807 -3.941 3.387 1.00 13.94 C ATOM 984 O GLN A 62 10.629 -4.255 3.612 1.00 12.15 O ATOM 985 CB GLN A 62 13.232 -2.426 4.872 1.00 19.53 C ATOM 986 CG GLN A 62 13.934 -1.048 5.020 1.00 26.38 C ATOM 987 CD GLN A 62 14.937 -1.117 6.181 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.860 -0.419 7.208 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.855 -2.135 6.148 1.00 32.71 N ATOM 0 H GLN A 62 11.057 -1.449 4.795 1.00 13.97 H new ATOM 0 HA GLN A 62 12.886 -2.425 2.654 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.606 -2.601 5.747 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.989 -3.211 4.859 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.447 -0.786 4.095 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.196 -0.268 5.207 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.937 -2.721 5.317 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.456 -2.306 6.954 1.00 32.71 H new ATOM 998 N LYS A 63 12.657 -4.918 2.913 1.00 11.73 N ATOM 999 CA LYS A 63 12.204 -6.268 2.508 1.00 11.97 C ATOM 1000 C LYS A 63 11.468 -7.066 3.577 1.00 10.41 C ATOM 1001 O LYS A 63 11.851 -7.091 4.764 1.00 9.59 O ATOM 1002 CB LYS A 63 13.371 -7.101 1.897 1.00 13.73 C ATOM 1003 CG LYS A 63 14.557 -7.369 2.858 1.00 16.98 C ATOM 1004 CD LYS A 63 15.883 -7.682 2.087 1.00 20.19 C ATOM 1005 CE LYS A 63 17.084 -7.731 3.000 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.277 -7.943 2.154 1.00 25.97 N ATOM 0 H LYS A 63 13.662 -4.777 2.808 1.00 11.73 H new ATOM 0 HA LYS A 63 11.453 -6.076 1.742 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.975 -8.058 1.557 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.747 -6.580 1.016 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.707 -6.500 3.498 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.312 -8.207 3.511 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.783 -8.637 1.572 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.043 -6.922 1.322 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.174 -6.803 3.565 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.981 -8.537 3.726 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.126 -7.982 2.754 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.179 -8.838 1.634 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.367 -7.158 1.478 1.00 25.97 H new ATOM 1020 N GLU A 64 10.299 -7.627 3.152 1.00 10.04 N ATOM 1021 CA GLU A 64 9.372 -8.463 3.842 1.00 10.94 C ATOM 1022 C GLU A 64 8.751 -7.710 5.016 1.00 9.74 C ATOM 1023 O GLU A 64 8.409 -8.292 6.072 1.00 9.42 O ATOM 1024 CB GLU A 64 10.024 -9.816 4.137 1.00 18.31 C ATOM 1025 CG GLU A 64 10.212 -10.655 2.853 1.00 24.16 C ATOM 1026 CD GLU A 64 10.934 -11.884 3.237 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.397 -12.692 4.023 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.061 -12.114 2.695 1.00 32.61 O ATOM 0 H GLU A 64 9.981 -7.460 2.197 1.00 10.04 H new ATOM 0 HA GLU A 64 8.509 -8.715 3.226 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.992 -9.657 4.612 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.408 -10.369 4.846 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.247 -10.899 2.408 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.775 -10.095 2.106 1.00 24.16 H new ATOM 1035 N SER A 65 8.683 -6.401 4.929 1.00 6.85 N ATOM 1036 CA SER A 65 7.937 -5.500 5.735 1.00 6.90 C ATOM 1037 C SER A 65 6.431 -5.739 5.653 1.00 4.72 C ATOM 1038 O SER A 65 5.907 -6.041 4.601 1.00 3.91 O ATOM 1039 CB SER A 65 8.260 -4.018 5.522 1.00 7.28 C ATOM 1040 OG SER A 65 7.971 -3.212 6.614 1.00 10.56 O ATOM 0 H SER A 65 9.210 -5.903 4.211 1.00 6.85 H new ATOM 0 HA SER A 65 8.270 -5.735 6.746 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.318 -3.919 5.281 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.701 -3.656 4.659 1.00 7.28 H new ATOM 0 HG SER A 65 7.689 -2.327 6.302 1.00 10.56 H new ATOM 1046 N THR A 66 5.660 -5.561 6.773 1.00 4.48 N ATOM 1047 CA THR A 66 4.247 -5.510 6.886 1.00 3.80 C ATOM 1048 C THR A 66 3.876 -4.071 6.965 1.00 4.60 C ATOM 1049 O THR A 66 4.155 -3.380 7.967 1.00 5.33 O ATOM 1050 CB THR A 66 3.661 -6.317 8.093 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.938 -7.701 7.941 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.152 -6.173 7.978 1.00 3.40 C ATOM 0 H THR A 66 6.102 -5.443 7.685 1.00 4.48 H new ATOM 0 HA THR A 66 3.810 -5.997 6.014 1.00 3.80 H new ATOM 0 HB THR A 66 4.078 -5.957 9.033 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.568 -8.194 8.703 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.672 -6.714 8.793 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.882 -5.118 8.034 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.819 -6.583 7.024 1.00 3.40 H new ATOM 1060 N LEU A 67 3.317 -3.605 5.822 1.00 4.17 N ATOM 1061 CA LEU A 67 2.656 -2.384 5.640 1.00 3.85 C ATOM 1062 C LEU A 67 1.171 -2.635 5.917 1.00 3.80 C ATOM 1063 O LEU A 67 0.762 -3.781 5.959 1.00 5.54 O ATOM 1064 CB LEU A 67 2.764 -1.717 4.157 1.00 7.18 C ATOM 1065 CG LEU A 67 4.143 -2.016 3.552 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.345 -1.518 2.121 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.299 -1.524 4.386 1.00 11.66 C ATOM 0 H LEU A 67 3.344 -4.152 4.962 1.00 4.17 H new ATOM 0 HA LEU A 67 3.142 -1.679 6.314 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.980 -2.113 3.512 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.610 -0.640 4.221 1.00 7.18 H new ATOM 0 HG LEU A 67 4.142 -3.106 3.538 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.349 -1.777 1.784 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.610 -1.986 1.466 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.221 -0.436 2.092 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.237 -1.774 3.891 1.00 11.66 H new ATOM 0 HD22 LEU A 67 5.228 -0.443 4.505 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.269 -1.999 5.366 1.00 11.66 H new ATOM 1079 N HIS A 68 0.301 -1.594 6.009 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.093 -1.747 6.365 1.00 4.17 C ATOM 1081 C HIS A 68 -2.075 -1.162 5.301 1.00 5.32 C ATOM 1082 O HIS A 68 -1.707 -0.195 4.691 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.464 -1.188 7.711 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.432 -1.601 8.686 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.683 -0.859 8.910 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.182 -2.839 9.236 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.560 -1.629 9.617 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.073 -2.848 9.869 1.00 16.30 N ATOM 0 H HIS A 68 0.572 -0.627 5.832 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.205 -2.830 6.406 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.530 -0.101 7.666 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.444 -1.554 8.017 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.837 0.102 8.604 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.855 -3.683 9.188 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.535 -1.292 9.936 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.297 -1.774 5.143 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.294 -1.361 4.262 1.00 3.97 C ATOM 1098 C LEU A 69 -5.484 -0.921 5.045 1.00 5.07 C ATOM 1099 O LEU A 69 -6.129 -1.657 5.759 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.603 -2.463 3.205 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.734 -2.132 2.178 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.318 -0.943 1.402 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.046 -3.341 1.273 1.00 9.96 C ATOM 0 H LEU A 69 -3.563 -2.600 5.679 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.954 -0.503 3.682 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.688 -2.674 2.652 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.875 -3.378 3.732 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.663 -1.910 2.704 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.093 -0.692 0.677 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.168 -0.102 2.078 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.387 -1.158 0.878 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.837 -3.076 0.571 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.150 -3.623 0.720 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.372 -4.180 1.887 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.803 0.345 4.915 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.071 0.816 5.470 1.00 6.26 C ATOM 1117 C VAL A 70 -8.008 1.206 4.307 1.00 9.22 C ATOM 1118 O VAL A 70 -7.490 1.739 3.325 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.915 2.039 6.376 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.295 2.300 7.091 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.950 1.583 7.472 1.00 8.54 C ATOM 0 H VAL A 70 -5.234 1.052 4.450 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.475 0.003 6.073 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.586 2.922 5.828 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.208 3.169 7.743 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.064 2.485 6.341 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.569 1.427 7.684 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.780 2.402 8.171 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.379 0.735 8.005 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.002 1.287 7.022 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.299 0.831 4.388 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.185 1.181 3.306 1.00 16.06 C ATOM 1133 C LEU A 71 -11.189 2.263 3.701 1.00 18.09 C ATOM 1134 O LEU A 71 -11.883 2.231 4.696 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.940 -0.097 2.854 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.983 -1.208 2.371 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.846 -2.495 2.170 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.204 -0.840 1.114 1.00 19.57 C ATOM 0 H LEU A 71 -9.719 0.312 5.159 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.585 1.587 2.492 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.540 -0.473 3.683 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.631 0.158 2.050 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.209 -1.369 3.121 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.209 -3.310 1.827 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.312 -2.772 3.116 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.619 -2.302 1.427 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.553 -1.668 0.834 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.901 -0.635 0.301 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.601 0.047 1.307 1.00 19.57 H new