USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 180:sc= 0.0532 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 153:sc= 0.144 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 139:sc= -0.0438 USER MOD Single : A 1 MET CE :methyl -174:sc= -0.162 (180deg=-0.228) USER MOD Single : A 1 MET N :NH3+ -151:sc= 2.46 (180deg=2.3) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.22) 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 -160:sc= -0.177 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.36 (180deg=1.31) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.12) USER MOD Single : A 31 GLN : amide:sc= -0.633 K(o=-0.63,f=-1.5) 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=-0.38) USER MOD Single : A 41 GLN : amide:sc= 0.291 K(o=0.29,f=-6.7!) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.166 (180deg=-0.471) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 59 TYR OH : rot -47:sc= 0.66 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 81:sc= 0.648 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.240 -7.273 -4.747 1.00 9.67 N ATOM 2 CA MET A 1 11.378 -7.447 -3.252 1.00 10.38 C ATOM 3 C MET A 1 10.018 -7.791 -2.688 1.00 9.62 C ATOM 4 O MET A 1 8.993 -7.433 -3.293 1.00 9.62 O ATOM 5 CB MET A 1 12.052 -6.158 -2.649 1.00 13.77 C ATOM 6 CG MET A 1 11.267 -4.893 -2.485 1.00 16.29 C ATOM 7 SD MET A 1 12.195 -3.573 -1.724 1.00 17.17 S ATOM 8 CE MET A 1 10.795 -2.458 -1.648 1.00 16.11 C ATOM 0 H1 MET A 1 12.137 -7.523 -5.210 1.00 9.67 H new ATOM 0 H2 MET A 1 10.484 -7.893 -5.100 1.00 9.67 H new ATOM 0 H3 MET A 1 11.004 -6.283 -4.961 1.00 9.67 H new ATOM 0 HA MET A 1 12.036 -8.272 -2.979 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.437 -6.427 -1.665 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.913 -5.923 -3.275 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.916 -4.563 -3.463 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.383 -5.099 -1.882 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.127 -1.481 -1.296 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.357 -2.356 -2.641 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.049 -2.857 -0.961 1.00 16.11 H new ATOM 20 N GLN A 2 9.880 -8.427 -1.560 1.00 9.27 N ATOM 21 CA GLN A 2 8.645 -8.905 -0.997 1.00 9.07 C ATOM 22 C GLN A 2 8.155 -8.110 0.194 1.00 8.72 C ATOM 23 O GLN A 2 8.912 -8.073 1.209 1.00 8.22 O ATOM 24 CB GLN A 2 8.843 -10.406 -0.579 1.00 14.46 C ATOM 25 CG GLN A 2 7.520 -11.060 -0.079 1.00 17.01 C ATOM 26 CD GLN A 2 7.658 -12.558 0.173 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.866 -13.072 1.298 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.586 -13.296 -0.934 1.00 19.49 N ATOM 0 H GLN A 2 10.682 -8.641 -0.967 1.00 9.27 H new ATOM 0 HA GLN A 2 7.879 -8.791 -1.764 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.226 -10.970 -1.429 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.595 -10.466 0.208 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.203 -10.569 0.841 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.736 -10.891 -0.817 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.416 -12.849 -1.835 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.701 -14.308 -0.881 1.00 19.49 H new ATOM 37 N ILE A 3 6.915 -7.519 0.102 1.00 5.87 N ATOM 38 CA ILE A 3 6.421 -6.738 1.176 1.00 5.07 C ATOM 39 C ILE A 3 5.004 -7.231 1.530 1.00 4.01 C ATOM 40 O ILE A 3 4.279 -7.819 0.759 1.00 4.61 O ATOM 41 CB ILE A 3 6.531 -5.212 1.018 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.732 -4.659 -0.213 1.00 4.72 C ATOM 43 CG2 ILE A 3 8.029 -4.764 1.051 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.405 -3.183 -0.117 1.00 10.83 C ATOM 0 H ILE A 3 6.292 -7.595 -0.702 1.00 5.87 H new ATOM 0 HA ILE A 3 7.090 -6.900 2.021 1.00 5.07 H new ATOM 0 HB ILE A 3 6.041 -4.753 1.877 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.312 -4.835 -1.119 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.804 -5.221 -0.314 1.00 4.72 H new ATOM 0 HG21 ILE A 3 8.088 -3.681 0.938 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.475 -5.054 2.003 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.570 -5.244 0.236 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.852 -2.874 -1.004 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.798 -3.002 0.770 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.329 -2.609 -0.048 1.00 10.83 H new ATOM 56 N PHE A 4 4.635 -6.983 2.821 1.00 4.55 N ATOM 57 CA PHE A 4 3.437 -7.602 3.371 1.00 4.68 C ATOM 58 C PHE A 4 2.453 -6.516 3.805 1.00 5.30 C ATOM 59 O PHE A 4 2.749 -5.679 4.621 1.00 5.58 O ATOM 60 CB PHE A 4 3.863 -8.426 4.602 1.00 4.83 C ATOM 61 CG PHE A 4 4.959 -9.472 4.305 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.846 -10.546 3.508 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.207 -9.285 4.906 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.840 -11.526 3.370 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.301 -10.163 4.631 1.00 10.61 C ATOM 66 CZ PHE A 4 7.066 -11.324 3.855 1.00 8.90 C ATOM 0 H PHE A 4 5.144 -6.377 3.465 1.00 4.55 H new ATOM 0 HA PHE A 4 2.956 -8.237 2.627 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.222 -7.747 5.375 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.988 -8.935 5.007 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.935 -10.663 2.939 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.347 -8.462 5.591 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.610 -12.453 2.866 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.289 -9.945 5.008 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.861 -12.029 3.661 1.00 8.90 H new ATOM 76 N VAL A 5 1.164 -6.655 3.398 1.00 4.44 N ATOM 77 CA VAL A 5 0.154 -5.671 3.647 1.00 3.87 C ATOM 78 C VAL A 5 -0.925 -6.458 4.433 1.00 4.93 C ATOM 79 O VAL A 5 -1.408 -7.542 4.120 1.00 6.84 O ATOM 80 CB VAL A 5 -0.383 -5.116 2.296 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.652 -4.231 2.459 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.730 -4.406 1.554 1.00 9.13 C ATOM 0 H VAL A 5 0.825 -7.470 2.887 1.00 4.44 H new ATOM 0 HA VAL A 5 0.503 -4.800 4.202 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.712 -5.964 1.695 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.976 -3.876 1.481 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.449 -4.819 2.914 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.421 -3.378 3.097 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.348 -4.019 0.609 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.102 -3.580 2.160 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.542 -5.107 1.358 1.00 9.13 H new ATOM 92 N LYS A 6 -1.326 -5.847 5.540 1.00 6.04 N ATOM 93 CA LYS A 6 -2.336 -6.375 6.377 1.00 6.12 C ATOM 94 C LYS A 6 -3.646 -5.693 6.046 1.00 6.57 C ATOM 95 O LYS A 6 -3.756 -4.470 6.220 1.00 5.76 O ATOM 96 CB LYS A 6 -1.939 -6.166 7.833 1.00 7.45 C ATOM 97 CG LYS A 6 -0.586 -6.723 8.236 1.00 11.12 C ATOM 98 CD LYS A 6 -0.621 -8.105 8.826 1.00 14.54 C ATOM 99 CE LYS A 6 0.775 -8.780 9.260 1.00 18.84 C ATOM 100 NZ LYS A 6 0.647 -10.240 9.357 1.00 20.55 N ATOM 0 H LYS A 6 -0.939 -4.961 5.865 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.458 -7.446 6.215 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.947 -5.096 8.042 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.701 -6.620 8.466 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.062 -6.734 7.359 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.132 -6.046 8.960 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.265 -8.076 9.705 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.099 -8.765 8.102 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.547 -8.527 8.533 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.096 -8.375 10.220 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.572 -10.682 9.182 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.315 -10.497 10.309 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.037 -10.576 8.649 1.00 20.55 H new ATOM 114 N THR A 7 -4.702 -6.331 5.465 1.00 7.41 N ATOM 115 CA THR A 7 -5.927 -5.639 5.166 1.00 7.48 C ATOM 116 C THR A 7 -6.852 -5.492 6.423 1.00 8.75 C ATOM 117 O THR A 7 -6.611 -6.104 7.451 1.00 8.58 O ATOM 118 CB THR A 7 -6.679 -6.197 3.987 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.431 -7.354 4.286 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.734 -6.418 2.779 1.00 9.17 C ATOM 0 H THR A 7 -4.701 -7.318 5.207 1.00 7.41 H new ATOM 0 HA THR A 7 -5.613 -4.639 4.867 1.00 7.48 H new ATOM 0 HB THR A 7 -7.415 -5.442 3.712 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.894 -7.661 3.479 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.303 -6.822 1.941 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.286 -5.468 2.489 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.948 -7.120 3.056 1.00 9.17 H new ATOM 128 N LEU A 8 -7.836 -4.572 6.367 1.00 9.84 N ATOM 129 CA LEU A 8 -8.668 -4.167 7.510 1.00 14.15 C ATOM 130 C LEU A 8 -9.558 -5.345 7.890 1.00 17.37 C ATOM 131 O LEU A 8 -10.020 -5.452 8.999 1.00 17.01 O ATOM 132 CB LEU A 8 -9.520 -2.902 7.077 1.00 16.63 C ATOM 133 CG LEU A 8 -10.205 -2.198 8.243 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.235 -1.487 9.203 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.245 -1.234 7.550 1.00 18.59 C ATOM 0 H LEU A 8 -8.077 -4.081 5.506 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.066 -3.896 8.378 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.868 -2.192 6.568 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.276 -3.213 6.357 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.692 -2.905 8.914 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.800 -1.011 10.005 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.545 -2.216 9.628 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.672 -0.730 8.657 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.792 -0.679 8.313 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.717 -0.535 6.902 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.946 -1.821 6.956 1.00 18.59 H new ATOM 147 N THR A 9 -9.776 -6.332 6.978 1.00 18.33 N ATOM 148 CA THR A 9 -10.639 -7.504 7.165 1.00 19.24 C ATOM 149 C THR A 9 -9.803 -8.697 7.737 1.00 19.48 C ATOM 150 O THR A 9 -10.296 -9.723 8.126 1.00 23.14 O ATOM 151 CB THR A 9 -11.607 -7.899 6.052 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.932 -8.379 4.891 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.343 -6.616 5.640 1.00 19.70 C ATOM 0 H THR A 9 -9.332 -6.321 6.060 1.00 18.33 H new ATOM 0 HA THR A 9 -11.371 -7.171 7.901 1.00 19.24 H new ATOM 0 HB THR A 9 -12.262 -8.689 6.421 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.590 -8.621 4.207 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.051 -6.843 4.843 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.880 -6.213 6.499 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.621 -5.880 5.286 1.00 19.70 H new ATOM 161 N GLY A 10 -8.400 -8.568 7.774 1.00 19.43 N ATOM 162 CA GLY A 10 -7.528 -9.490 8.479 1.00 18.74 C ATOM 163 C GLY A 10 -6.753 -10.448 7.586 1.00 17.62 C ATOM 164 O GLY A 10 -5.986 -11.247 8.093 1.00 19.74 O ATOM 0 H GLY A 10 -7.900 -7.813 7.305 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.818 -8.914 9.072 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.128 -10.073 9.178 1.00 18.74 H new ATOM 168 N LYS A 11 -6.965 -10.356 6.278 1.00 13.56 N ATOM 169 CA LYS A 11 -6.047 -10.988 5.314 1.00 11.91 C ATOM 170 C LYS A 11 -4.710 -10.321 5.166 1.00 10.18 C ATOM 171 O LYS A 11 -4.612 -9.115 5.325 1.00 9.10 O ATOM 172 CB LYS A 11 -6.786 -11.061 3.977 1.00 13.43 C ATOM 173 CG LYS A 11 -6.186 -11.970 2.935 1.00 16.69 C ATOM 174 CD LYS A 11 -7.074 -12.020 1.653 1.00 17.92 C ATOM 175 CE LYS A 11 -6.604 -13.094 0.664 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.563 -13.118 -0.452 1.00 21.93 N ATOM 0 H LYS A 11 -7.750 -9.859 5.857 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.789 -11.976 5.695 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.809 -11.386 4.168 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.844 -10.055 3.562 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.187 -11.620 2.675 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.076 -12.974 3.344 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.108 -12.217 1.937 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.058 -11.046 1.164 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.601 -12.869 0.302 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.557 -14.068 1.150 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.152 -13.640 -1.252 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.440 -13.587 -0.146 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.776 -12.144 -0.748 1.00 21.93 H new ATOM 190 N THR A 12 -3.646 -11.110 5.008 1.00 9.63 N ATOM 191 CA THR A 12 -2.262 -10.611 4.808 1.00 9.85 C ATOM 192 C THR A 12 -1.929 -10.794 3.348 1.00 11.66 C ATOM 193 O THR A 12 -2.111 -11.925 2.934 1.00 12.33 O ATOM 194 CB THR A 12 -1.190 -11.181 5.680 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.506 -10.920 7.062 1.00 10.91 O ATOM 196 CG2 THR A 12 0.118 -10.445 5.411 1.00 9.63 C ATOM 0 H THR A 12 -3.710 -12.128 5.014 1.00 9.63 H new ATOM 0 HA THR A 12 -2.269 -9.566 5.119 1.00 9.85 H new ATOM 0 HB THR A 12 -1.110 -12.249 5.477 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.298 -11.712 7.600 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.904 -10.856 6.044 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.395 -10.566 4.364 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.009 -9.385 5.632 1.00 9.63 H new ATOM 204 N ILE A 13 -1.568 -9.743 2.609 1.00 10.42 N ATOM 205 CA ILE A 13 -1.343 -9.736 1.195 1.00 11.84 C ATOM 206 C ILE A 13 0.070 -9.718 0.973 1.00 10.55 C ATOM 207 O ILE A 13 0.765 -8.748 1.419 1.00 11.92 O ATOM 208 CB ILE A 13 -1.948 -8.622 0.476 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.435 -8.385 0.914 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.860 -8.715 -1.039 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.470 -9.404 0.460 1.00 16.46 C ATOM 0 H ILE A 13 -1.420 -8.824 3.026 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.825 -10.631 0.802 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.342 -7.762 0.761 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.462 -8.340 2.003 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.742 -7.406 0.546 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.337 -7.842 -1.485 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.813 -8.751 -1.341 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.367 -9.618 -1.378 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.453 -9.116 0.834 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.492 -9.440 -0.629 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.208 -10.388 0.850 1.00 16.46 H new ATOM 223 N THR A 14 0.586 -10.655 0.209 1.00 9.39 N ATOM 224 CA THR A 14 1.963 -10.752 -0.211 1.00 9.63 C ATOM 225 C THR A 14 2.115 -10.175 -1.576 1.00 11.20 C ATOM 226 O THR A 14 1.575 -10.622 -2.589 1.00 11.63 O ATOM 227 CB THR A 14 2.536 -12.150 -0.230 1.00 10.38 C ATOM 228 OG1 THR A 14 2.507 -12.580 1.117 1.00 16.30 O ATOM 229 CG2 THR A 14 4.017 -12.128 -0.641 1.00 11.66 C ATOM 0 H THR A 14 0.017 -11.418 -0.158 1.00 9.39 H new ATOM 0 HA THR A 14 2.522 -10.196 0.542 1.00 9.63 H new ATOM 0 HB THR A 14 1.977 -12.780 -0.922 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.867 -13.490 1.178 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.408 -13.145 -0.648 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.112 -11.696 -1.637 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.583 -11.526 0.070 1.00 11.66 H new ATOM 237 N LEU A 15 2.912 -9.156 -1.569 1.00 8.29 N ATOM 238 CA LEU A 15 3.286 -8.401 -2.747 1.00 9.03 C ATOM 239 C LEU A 15 4.662 -8.766 -3.304 1.00 8.59 C ATOM 240 O LEU A 15 5.546 -9.159 -2.542 1.00 7.79 O ATOM 241 CB LEU A 15 3.181 -6.869 -2.644 1.00 11.08 C ATOM 242 CG LEU A 15 1.804 -6.362 -2.235 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.748 -4.876 -1.966 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.852 -6.643 -3.400 1.00 15.27 C ATOM 0 H LEU A 15 3.344 -8.804 -0.715 1.00 8.29 H new ATOM 0 HA LEU A 15 2.511 -8.719 -3.444 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.916 -6.514 -1.921 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.445 -6.433 -3.607 1.00 11.08 H new ATOM 0 HG LEU A 15 1.538 -6.870 -1.308 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.734 -4.596 -1.681 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.434 -4.627 -1.157 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.035 -4.332 -2.866 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.148 -6.293 -3.145 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.203 -6.121 -4.290 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.823 -7.715 -3.595 1.00 15.27 H new ATOM 256 N GLU A 16 4.840 -8.503 -4.618 1.00 11.04 N ATOM 257 CA GLU A 16 6.156 -8.494 -5.205 1.00 11.50 C ATOM 258 C GLU A 16 6.251 -7.113 -5.835 1.00 10.13 C ATOM 259 O GLU A 16 5.363 -6.666 -6.561 1.00 9.83 O ATOM 260 CB GLU A 16 6.331 -9.570 -6.331 1.00 17.22 C ATOM 261 CG GLU A 16 7.715 -9.595 -6.967 1.00 23.33 C ATOM 262 CD GLU A 16 8.778 -9.864 -5.892 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.583 -10.775 -5.029 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.873 -9.228 -5.879 1.00 28.90 O ATOM 0 H GLU A 16 4.082 -8.298 -5.270 1.00 11.04 H new ATOM 0 HA GLU A 16 6.918 -8.716 -4.458 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.119 -10.554 -5.913 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.590 -9.388 -7.109 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.758 -10.367 -7.735 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.916 -8.644 -7.460 1.00 23.33 H new ATOM 271 N VAL A 17 7.324 -6.355 -5.462 1.00 8.99 N ATOM 272 CA VAL A 17 7.355 -4.960 -5.875 1.00 8.85 C ATOM 273 C VAL A 17 8.847 -4.543 -6.088 1.00 8.04 C ATOM 274 O VAL A 17 9.765 -5.272 -5.708 1.00 8.99 O ATOM 275 CB VAL A 17 6.782 -4.020 -4.816 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.292 -4.310 -4.464 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.554 -3.917 -3.463 1.00 10.54 C ATOM 0 H VAL A 17 8.120 -6.678 -4.912 1.00 8.99 H new ATOM 0 HA VAL A 17 6.754 -4.877 -6.781 1.00 8.85 H new ATOM 0 HB VAL A 17 6.894 -3.067 -5.333 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.953 -3.604 -3.706 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.679 -4.203 -5.359 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.200 -5.326 -4.080 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.041 -3.217 -2.804 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.593 -4.899 -2.991 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.568 -3.563 -3.649 1.00 10.54 H new ATOM 287 N GLU A 18 9.131 -3.376 -6.739 1.00 7.29 N ATOM 288 CA GLU A 18 10.448 -2.813 -6.807 1.00 7.08 C ATOM 289 C GLU A 18 10.425 -1.488 -6.077 1.00 6.45 C ATOM 290 O GLU A 18 9.399 -0.864 -5.976 1.00 5.28 O ATOM 291 CB GLU A 18 10.944 -2.616 -8.232 1.00 10.28 C ATOM 292 CG GLU A 18 10.901 -3.935 -8.993 1.00 12.65 C ATOM 293 CD GLU A 18 12.065 -3.871 -9.928 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.196 -2.907 -10.742 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.901 -4.787 -9.941 1.00 18.17 O ATOM 0 H GLU A 18 8.424 -2.822 -7.223 1.00 7.29 H new ATOM 0 HA GLU A 18 11.142 -3.513 -6.342 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.327 -1.875 -8.740 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.963 -2.228 -8.220 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.983 -4.786 -8.316 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.963 -4.049 -9.536 1.00 12.65 H new ATOM 302 N PRO A 19 11.495 -0.978 -5.477 1.00 7.24 N ATOM 303 CA PRO A 19 11.433 0.140 -4.522 1.00 7.07 C ATOM 304 C PRO A 19 11.299 1.498 -5.253 1.00 6.65 C ATOM 305 O PRO A 19 11.011 2.562 -4.693 1.00 6.37 O ATOM 306 CB PRO A 19 12.760 -0.058 -3.725 1.00 7.61 C ATOM 307 CG PRO A 19 13.741 -0.685 -4.730 1.00 8.16 C ATOM 308 CD PRO A 19 12.803 -1.631 -5.530 1.00 7.49 C ATOM 0 HA PRO A 19 10.564 0.150 -3.864 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.137 0.892 -3.346 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.609 -0.708 -2.863 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.209 0.064 -5.368 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.545 -1.228 -4.234 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.145 -1.753 -6.558 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.769 -2.626 -5.085 1.00 7.49 H new ATOM 316 N SER A 20 11.287 1.436 -6.618 1.00 6.80 N ATOM 317 CA SER A 20 11.097 2.632 -7.427 1.00 6.28 C ATOM 318 C SER A 20 9.705 2.687 -7.962 1.00 8.45 C ATOM 319 O SER A 20 9.467 3.477 -8.840 1.00 7.26 O ATOM 320 CB SER A 20 12.048 2.641 -8.658 1.00 8.57 C ATOM 321 OG SER A 20 13.449 2.653 -8.380 1.00 11.13 O ATOM 0 H SER A 20 11.406 0.576 -7.153 1.00 6.80 H new ATOM 0 HA SER A 20 11.306 3.482 -6.778 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.828 1.763 -9.266 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.813 3.516 -9.265 1.00 8.57 H new ATOM 0 HG SER A 20 13.950 2.656 -9.222 1.00 11.13 H new ATOM 327 N ASP A 21 8.762 1.780 -7.550 1.00 7.50 N ATOM 328 CA ASP A 21 7.374 1.825 -7.832 1.00 7.70 C ATOM 329 C ASP A 21 6.770 2.893 -6.950 1.00 7.08 C ATOM 330 O ASP A 21 7.153 3.165 -5.798 1.00 8.11 O ATOM 331 CB ASP A 21 6.638 0.445 -7.548 1.00 11.00 C ATOM 332 CG ASP A 21 7.111 -0.623 -8.495 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.268 -0.317 -9.685 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.157 -1.814 -8.116 1.00 18.03 O ATOM 0 H ASP A 21 9.013 0.970 -6.983 1.00 7.50 H new ATOM 0 HA ASP A 21 7.245 2.038 -8.893 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.825 0.134 -6.520 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.561 0.576 -7.650 1.00 11.00 H new ATOM 339 N THR A 22 5.856 3.692 -7.527 1.00 5.37 N ATOM 340 CA THR A 22 5.046 4.695 -6.841 1.00 6.01 C ATOM 341 C THR A 22 4.060 4.036 -6.000 1.00 8.01 C ATOM 342 O THR A 22 3.585 2.931 -6.298 1.00 8.11 O ATOM 343 CB THR A 22 4.314 5.846 -7.541 1.00 8.92 C ATOM 344 OG1 THR A 22 3.516 5.345 -8.574 1.00 10.22 O ATOM 345 CG2 THR A 22 5.371 6.710 -8.078 1.00 9.65 C ATOM 0 H THR A 22 5.659 3.649 -8.527 1.00 5.37 H new ATOM 0 HA THR A 22 5.869 5.228 -6.365 1.00 6.01 H new ATOM 0 HB THR A 22 3.657 6.390 -6.862 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.308 6.065 -9.205 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.921 7.558 -8.594 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.995 7.072 -7.261 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.984 6.143 -8.778 1.00 9.65 H new ATOM 353 N ILE A 23 3.636 4.728 -4.948 1.00 8.32 N ATOM 354 CA ILE A 23 2.498 4.244 -4.176 1.00 9.92 C ATOM 355 C ILE A 23 1.274 3.994 -5.038 1.00 10.01 C ATOM 356 O ILE A 23 0.617 2.941 -4.926 1.00 8.71 O ATOM 357 CB ILE A 23 2.144 5.213 -2.946 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.388 5.560 -2.073 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.038 4.588 -2.047 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.148 4.300 -1.706 1.00 12.30 C ATOM 0 H ILE A 23 4.049 5.600 -4.617 1.00 8.32 H new ATOM 0 HA ILE A 23 2.805 3.283 -3.763 1.00 9.92 H new ATOM 0 HB ILE A 23 1.779 6.141 -3.386 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.043 6.241 -2.617 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.071 6.077 -1.167 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.816 5.263 -1.221 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.136 4.428 -2.638 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.386 3.634 -1.652 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.013 4.561 -1.097 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.496 3.633 -1.143 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.482 3.799 -2.615 1.00 12.30 H new ATOM 372 N GLU A 24 1.008 4.875 -6.022 1.00 9.54 N ATOM 373 CA GLU A 24 -0.081 4.732 -7.020 1.00 11.81 C ATOM 374 C GLU A 24 -0.014 3.403 -7.822 1.00 11.14 C ATOM 375 O GLU A 24 -1.012 2.728 -8.032 1.00 10.62 O ATOM 376 CB GLU A 24 0.163 5.952 -7.967 1.00 19.24 C ATOM 377 CG GLU A 24 -0.927 5.979 -9.062 1.00 27.76 C ATOM 378 CD GLU A 24 -0.785 7.075 -10.086 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.261 7.125 -10.825 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.728 7.876 -10.246 1.00 36.51 O ATOM 0 H GLU A 24 1.554 5.727 -6.152 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.063 4.710 -6.547 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.143 6.880 -7.395 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.150 5.880 -8.423 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.923 5.019 -9.579 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.900 6.078 -8.581 1.00 27.76 H new ATOM 387 N ASN A 25 1.229 2.946 -8.267 1.00 9.43 N ATOM 388 CA ASN A 25 1.553 1.641 -8.882 1.00 10.96 C ATOM 389 C ASN A 25 1.262 0.458 -7.891 1.00 9.68 C ATOM 390 O ASN A 25 0.747 -0.600 -8.293 1.00 9.33 O ATOM 391 CB ASN A 25 3.097 1.654 -9.232 1.00 16.78 C ATOM 392 CG ASN A 25 3.559 0.574 -10.168 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.246 -0.340 -9.727 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.064 0.566 -11.396 1.00 24.70 N ATOM 0 H ASN A 25 2.058 3.535 -8.188 1.00 9.43 H new ATOM 0 HA ASN A 25 0.939 1.493 -9.770 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.344 2.621 -9.671 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.662 1.572 -8.304 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.250 -0.223 -12.016 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.497 1.348 -11.722 1.00 24.70 H new ATOM 401 N VAL A 26 1.477 0.698 -6.560 1.00 6.52 N ATOM 402 CA VAL A 26 1.303 -0.384 -5.598 1.00 5.53 C ATOM 403 C VAL A 26 -0.198 -0.559 -5.262 1.00 4.42 C ATOM 404 O VAL A 26 -0.653 -1.686 -5.178 1.00 3.40 O ATOM 405 CB VAL A 26 2.070 0.033 -4.342 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.706 -0.826 -3.108 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.604 -0.208 -4.709 1.00 8.12 C ATOM 0 H VAL A 26 1.758 1.595 -6.164 1.00 6.52 H new ATOM 0 HA VAL A 26 1.669 -1.331 -5.995 1.00 5.53 H new ATOM 0 HB VAL A 26 1.834 1.063 -4.075 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.280 -0.486 -2.246 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.641 -0.727 -2.897 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.940 -1.871 -3.310 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.229 0.067 -3.859 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.760 -1.260 -4.949 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.873 0.404 -5.570 1.00 8.12 H new ATOM 417 N LYS A 27 -0.994 0.549 -5.145 1.00 2.64 N ATOM 418 CA LYS A 27 -2.463 0.369 -5.054 1.00 4.14 C ATOM 419 C LYS A 27 -3.099 -0.263 -6.345 1.00 5.58 C ATOM 420 O LYS A 27 -4.102 -0.959 -6.278 1.00 4.11 O ATOM 421 CB LYS A 27 -3.200 1.669 -4.701 1.00 3.97 C ATOM 422 CG LYS A 27 -2.588 2.553 -3.641 1.00 7.45 C ATOM 423 CD LYS A 27 -3.249 3.909 -3.524 1.00 9.02 C ATOM 424 CE LYS A 27 -2.670 4.742 -2.334 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.738 5.772 -2.022 1.00 15.47 N ATOM 0 H LYS A 27 -0.663 1.513 -5.114 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.596 -0.340 -4.237 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.299 2.257 -5.613 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.208 1.407 -4.379 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.648 2.045 -2.678 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.530 2.692 -3.863 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.111 4.461 -4.454 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.322 3.778 -3.387 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.468 4.109 -1.470 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.729 5.219 -2.607 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.461 6.315 -1.180 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.845 6.417 -2.831 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.642 5.291 -1.842 1.00 15.47 H new ATOM 439 N ALA A 28 -2.546 -0.044 -7.572 1.00 6.61 N ATOM 440 CA ALA A 28 -2.974 -0.776 -8.745 1.00 7.74 C ATOM 441 C ALA A 28 -2.613 -2.268 -8.643 1.00 9.17 C ATOM 442 O ALA A 28 -3.379 -3.095 -9.180 1.00 11.45 O ATOM 443 CB ALA A 28 -2.283 -0.198 -9.975 1.00 7.68 C ATOM 0 H ALA A 28 -1.807 0.636 -7.748 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.057 -0.682 -8.822 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.601 -0.745 -10.862 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.550 0.853 -10.082 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.203 -0.288 -9.861 1.00 7.68 H new ATOM 449 N LYS A 29 -1.522 -2.684 -8.040 1.00 8.96 N ATOM 450 CA LYS A 29 -1.216 -4.083 -7.782 1.00 7.90 C ATOM 451 C LYS A 29 -2.137 -4.637 -6.758 1.00 6.92 C ATOM 452 O LYS A 29 -2.694 -5.737 -6.948 1.00 6.87 O ATOM 453 CB LYS A 29 0.285 -4.300 -7.328 1.00 10.28 C ATOM 454 CG LYS A 29 0.864 -5.695 -7.320 1.00 14.94 C ATOM 455 CD LYS A 29 2.400 -5.690 -7.323 1.00 19.69 C ATOM 456 CE LYS A 29 3.008 -5.746 -8.744 1.00 22.63 C ATOM 457 NZ LYS A 29 4.385 -5.355 -8.792 1.00 24.98 N ATOM 0 H LYS A 29 -0.801 -2.046 -7.705 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.354 -4.614 -8.724 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.914 -3.689 -7.975 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.382 -3.900 -6.319 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.507 -6.229 -6.440 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.503 -6.241 -8.192 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.755 -4.791 -6.819 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.761 -6.542 -6.747 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.913 -6.760 -9.132 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.431 -5.097 -9.403 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.803 -5.666 -9.692 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.455 -4.320 -8.717 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.899 -5.795 -8.002 1.00 24.98 H new ATOM 471 N ILE A 30 -2.437 -3.909 -5.705 1.00 4.57 N ATOM 472 CA ILE A 30 -3.491 -4.296 -4.778 1.00 5.58 C ATOM 473 C ILE A 30 -4.939 -4.392 -5.355 1.00 7.26 C ATOM 474 O ILE A 30 -5.775 -5.234 -5.048 1.00 9.46 O ATOM 475 CB ILE A 30 -3.400 -3.545 -3.473 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.023 -3.847 -2.787 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.637 -3.874 -2.556 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.025 -3.225 -1.399 1.00 2.00 C ATOM 0 H ILE A 30 -1.965 -3.038 -5.464 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.278 -5.344 -4.568 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.439 -2.471 -3.658 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.862 -4.923 -2.719 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.206 -3.440 -3.383 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.553 -3.323 -1.620 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.556 -3.584 -3.066 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.660 -4.943 -2.346 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.073 -3.427 -0.909 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.169 -2.148 -1.483 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.835 -3.654 -0.809 1.00 2.00 H new ATOM 490 N GLN A 31 -5.283 -3.644 -6.411 1.00 7.06 N ATOM 491 CA GLN A 31 -6.611 -3.845 -6.976 1.00 8.67 C ATOM 492 C GLN A 31 -6.675 -5.121 -7.752 1.00 10.90 C ATOM 493 O GLN A 31 -7.604 -5.883 -7.718 1.00 9.63 O ATOM 494 CB GLN A 31 -6.959 -2.664 -7.840 1.00 9.12 C ATOM 495 CG GLN A 31 -8.325 -2.689 -8.626 1.00 10.76 C ATOM 496 CD GLN A 31 -8.625 -1.358 -9.204 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.641 -0.656 -9.055 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.697 -0.968 -10.132 1.00 14.76 N ATOM 0 H GLN A 31 -4.700 -2.940 -6.863 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.339 -3.924 -6.169 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.956 -1.777 -7.207 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.158 -2.538 -8.569 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.279 -3.433 -9.421 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.130 -2.989 -7.955 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.854 -1.524 -10.275 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.848 -0.121 -10.680 1.00 14.76 H new ATOM 507 N ASP A 32 -5.608 -5.532 -8.397 1.00 10.93 N ATOM 508 CA ASP A 32 -5.488 -6.856 -9.035 1.00 14.01 C ATOM 509 C ASP A 32 -5.460 -7.995 -7.948 1.00 14.04 C ATOM 510 O ASP A 32 -6.017 -9.078 -8.131 1.00 13.39 O ATOM 511 CB ASP A 32 -4.212 -6.931 -9.843 1.00 18.01 C ATOM 512 CG ASP A 32 -4.283 -5.971 -11.039 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.339 -5.470 -11.435 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.175 -5.819 -11.672 1.00 26.29 O ATOM 0 H ASP A 32 -4.773 -4.956 -8.504 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.351 -6.994 -9.686 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.359 -6.677 -9.214 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.055 -7.951 -10.195 1.00 18.01 H new ATOM 519 N LYS A 33 -4.848 -7.776 -6.776 1.00 14.22 N ATOM 520 CA LYS A 33 -4.951 -8.742 -5.692 1.00 14.00 C ATOM 521 C LYS A 33 -6.299 -8.921 -5.035 1.00 12.37 C ATOM 522 O LYS A 33 -6.712 -10.070 -4.732 1.00 12.17 O ATOM 523 CB LYS A 33 -3.950 -8.462 -4.585 1.00 18.62 C ATOM 524 CG LYS A 33 -2.448 -8.701 -4.796 1.00 24.00 C ATOM 525 CD LYS A 33 -2.098 -10.202 -4.852 1.00 27.61 C ATOM 526 CE LYS A 33 -0.522 -10.390 -4.947 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.219 -11.742 -5.262 1.00 30.06 N ATOM 0 H LYS A 33 -4.287 -6.951 -6.563 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.744 -9.670 -6.225 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.070 -7.416 -4.304 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.250 -9.060 -3.725 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.132 -8.221 -5.723 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.890 -8.230 -3.987 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.480 -10.706 -3.964 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.580 -10.664 -5.713 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.113 -9.728 -5.710 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.055 -10.113 -4.002 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.812 -11.861 -5.323 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.596 -12.364 -4.519 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.651 -11.991 -6.175 1.00 30.06 H new ATOM 541 N GLU A 34 -6.966 -7.830 -4.681 1.00 10.11 N ATOM 542 CA GLU A 34 -8.095 -7.903 -3.803 1.00 10.07 C ATOM 543 C GLU A 34 -9.251 -7.124 -4.328 1.00 9.32 C ATOM 544 O GLU A 34 -10.309 -7.167 -3.741 1.00 11.61 O ATOM 545 CB GLU A 34 -7.742 -7.316 -2.412 1.00 14.77 C ATOM 546 CG GLU A 34 -7.094 -8.368 -1.474 1.00 18.75 C ATOM 547 CD GLU A 34 -8.096 -9.498 -1.198 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.087 -9.337 -0.459 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.899 -10.611 -1.644 1.00 21.95 O ATOM 0 H GLU A 34 -6.733 -6.888 -4.997 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.361 -8.957 -3.727 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.059 -6.476 -2.538 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.646 -6.925 -1.945 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.192 -8.772 -1.933 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.793 -7.899 -0.538 1.00 18.75 H new ATOM 556 N GLY A 35 -9.181 -6.475 -5.541 1.00 7.22 N ATOM 557 CA GLY A 35 -10.317 -5.834 -6.116 1.00 6.29 C ATOM 558 C GLY A 35 -10.645 -4.450 -5.598 1.00 6.93 C ATOM 559 O GLY A 35 -11.648 -3.877 -5.906 1.00 7.41 O ATOM 0 H GLY A 35 -8.332 -6.408 -6.102 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.163 -5.768 -7.193 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.186 -6.473 -5.957 1.00 6.29 H new ATOM 563 N ILE A 36 -9.773 -3.788 -4.831 1.00 5.86 N ATOM 564 CA ILE A 36 -10.175 -2.590 -4.125 1.00 6.07 C ATOM 565 C ILE A 36 -9.631 -1.408 -4.980 1.00 6.36 C ATOM 566 O ILE A 36 -8.408 -1.417 -5.343 1.00 6.18 O ATOM 567 CB ILE A 36 -9.466 -2.554 -2.798 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.721 -3.862 -2.001 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.977 -1.382 -1.966 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.933 -3.920 -0.687 1.00 9.49 C ATOM 0 H ILE A 36 -8.801 -4.064 -4.691 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.253 -2.546 -3.973 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.399 -2.446 -2.993 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.786 -3.949 -1.785 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.451 -4.718 -2.620 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.459 -1.363 -1.007 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.790 -0.449 -2.498 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.048 -1.495 -1.797 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.151 -4.856 -0.173 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.866 -3.863 -0.900 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.222 -3.082 -0.052 1.00 9.49 H new ATOM 582 N PRO A 37 -10.456 -0.389 -5.357 1.00 8.65 N ATOM 583 CA PRO A 37 -10.012 0.796 -6.060 1.00 9.18 C ATOM 584 C PRO A 37 -8.825 1.484 -5.460 1.00 9.85 C ATOM 585 O PRO A 37 -8.787 1.565 -4.198 1.00 8.51 O ATOM 586 CB PRO A 37 -11.270 1.769 -5.992 1.00 11.42 C ATOM 587 CG PRO A 37 -12.428 0.768 -6.004 1.00 9.27 C ATOM 588 CD PRO A 37 -11.871 -0.401 -5.078 1.00 8.33 C ATOM 0 HA PRO A 37 -9.683 0.524 -7.063 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.267 2.382 -5.091 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.308 2.451 -6.841 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.345 1.201 -5.605 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.653 0.417 -7.011 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.076 -0.214 -4.024 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.323 -1.362 -5.325 1.00 8.33 H new ATOM 596 N PRO A 38 -7.882 2.124 -6.176 1.00 8.71 N ATOM 597 CA PRO A 38 -6.880 2.990 -5.593 1.00 9.08 C ATOM 598 C PRO A 38 -7.429 4.178 -4.827 1.00 9.28 C ATOM 599 O PRO A 38 -6.728 4.703 -3.940 1.00 6.50 O ATOM 600 CB PRO A 38 -6.142 3.479 -6.813 1.00 10.31 C ATOM 601 CG PRO A 38 -6.039 2.246 -7.644 1.00 10.81 C ATOM 602 CD PRO A 38 -7.446 1.625 -7.476 1.00 12.00 C ATOM 0 HA PRO A 38 -6.287 2.455 -4.851 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.688 4.270 -7.327 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.161 3.881 -6.560 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.816 2.474 -8.686 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.254 1.579 -7.288 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.121 1.937 -8.273 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.410 0.536 -7.497 1.00 12.00 H new ATOM 610 N ASP A 39 -8.732 4.595 -5.032 1.00 11.20 N ATOM 611 CA ASP A 39 -9.347 5.695 -4.374 1.00 14.96 C ATOM 612 C ASP A 39 -10.141 5.135 -3.204 1.00 13.99 C ATOM 613 O ASP A 39 -10.782 5.911 -2.538 1.00 13.75 O ATOM 614 CB ASP A 39 -10.175 6.404 -5.443 1.00 24.16 C ATOM 615 CG ASP A 39 -9.328 7.211 -6.308 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.834 8.331 -5.902 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.047 6.846 -7.424 1.00 35.55 O ATOM 0 H ASP A 39 -9.357 4.127 -5.689 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.663 6.429 -3.948 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.713 5.667 -6.039 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.924 7.037 -4.967 1.00 24.16 H new ATOM 622 N GLN A 40 -10.067 3.835 -2.853 1.00 11.60 N ATOM 623 CA GLN A 40 -10.548 3.337 -1.626 1.00 10.76 C ATOM 624 C GLN A 40 -9.377 2.813 -0.711 1.00 8.01 C ATOM 625 O GLN A 40 -9.626 2.187 0.334 1.00 8.96 O ATOM 626 CB GLN A 40 -11.689 2.225 -1.804 1.00 11.14 C ATOM 627 CG GLN A 40 -13.003 2.709 -2.407 1.00 14.85 C ATOM 628 CD GLN A 40 -14.223 1.825 -2.162 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.784 1.194 -3.037 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.695 1.803 -0.893 1.00 18.16 N ATOM 0 H GLN A 40 -9.657 3.119 -3.452 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.016 4.182 -1.122 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.296 1.426 -2.433 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.899 1.788 -0.828 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.215 3.703 -2.013 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.867 2.815 -3.483 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.220 2.334 -0.163 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.525 1.255 -0.667 1.00 18.16 H new ATOM 639 N GLN A 41 -8.113 3.066 -1.119 1.00 6.52 N ATOM 640 CA GLN A 41 -7.007 2.494 -0.384 1.00 3.87 C ATOM 641 C GLN A 41 -6.247 3.548 0.373 1.00 4.79 C ATOM 642 O GLN A 41 -5.307 4.046 -0.223 1.00 6.34 O ATOM 643 CB GLN A 41 -6.057 1.666 -1.232 1.00 4.20 C ATOM 644 CG GLN A 41 -6.582 0.231 -1.625 1.00 3.20 C ATOM 645 CD GLN A 41 -5.547 -0.337 -2.638 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.320 -0.409 -2.332 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.039 -0.664 -3.844 1.00 7.13 N ATOM 0 H GLN A 41 -7.858 3.641 -1.922 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.466 1.802 0.323 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.837 2.218 -2.146 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.116 1.556 -0.692 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.662 -0.410 -0.747 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.575 0.287 -2.071 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.039 -0.583 -4.026 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.412 -0.993 -4.578 1.00 7.13 H new ATOM 656 N ARG A 42 -6.535 3.663 1.690 1.00 5.73 N ATOM 657 CA ARG A 42 -5.645 4.326 2.644 1.00 6.97 C ATOM 658 C ARG A 42 -4.591 3.295 3.179 1.00 7.15 C ATOM 659 O ARG A 42 -4.757 2.550 4.170 1.00 7.33 O ATOM 660 CB ARG A 42 -6.355 4.950 3.861 1.00 13.23 C ATOM 661 CG ARG A 42 -6.951 6.314 3.408 1.00 21.27 C ATOM 662 CD ARG A 42 -7.454 7.109 4.566 1.00 26.14 C ATOM 663 NE ARG A 42 -7.912 8.377 3.891 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.744 9.162 4.515 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.355 8.814 5.672 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.090 10.331 3.981 1.00 36.39 N ATOM 0 H ARG A 42 -7.390 3.297 2.110 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.185 5.144 2.089 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.142 4.290 4.225 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.653 5.093 4.683 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.189 6.886 2.878 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.766 6.140 2.705 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.269 6.605 5.086 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.674 7.297 5.303 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.575 8.617 2.959 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.171 7.903 6.092 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.999 9.463 6.124 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.704 10.615 3.081 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.742 10.943 4.472 1.00 36.39 H new ATOM 680 N LEU A 43 -3.509 3.280 2.395 1.00 4.65 N ATOM 681 CA LEU A 43 -2.332 2.479 2.715 1.00 3.51 C ATOM 682 C LEU A 43 -1.491 3.173 3.765 1.00 5.56 C ATOM 683 O LEU A 43 -1.281 4.362 3.728 1.00 4.19 O ATOM 684 CB LEU A 43 -1.388 2.119 1.455 1.00 3.74 C ATOM 685 CG LEU A 43 -2.063 1.491 0.310 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.103 0.796 -0.646 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.983 0.353 0.771 1.00 6.41 C ATOM 0 H LEU A 43 -3.428 3.817 1.532 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.733 1.535 3.083 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.907 3.035 1.112 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.596 1.452 1.797 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.587 2.316 -0.173 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.665 0.354 -1.468 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.393 1.523 -1.041 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.562 0.013 -0.114 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.470 -0.095 -0.095 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.394 -0.405 1.288 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.740 0.749 1.449 1.00 6.41 H new ATOM 699 N ILE A 44 -1.025 2.364 4.805 1.00 4.58 N ATOM 700 CA ILE A 44 -0.333 2.896 5.949 1.00 5.55 C ATOM 701 C ILE A 44 0.967 2.139 6.177 1.00 5.46 C ATOM 702 O ILE A 44 1.115 0.895 5.986 1.00 6.04 O ATOM 703 CB ILE A 44 -1.195 2.765 7.178 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.667 3.181 6.972 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.681 3.640 8.326 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.899 4.727 6.652 1.00 13.90 C ATOM 0 H ILE A 44 -1.142 1.351 4.825 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.114 3.947 5.761 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.142 1.701 7.407 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.083 2.591 6.155 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.229 2.924 7.870 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.329 3.518 9.194 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.334 3.340 8.586 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.683 4.685 8.016 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.965 4.916 6.525 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.519 5.330 7.477 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.371 4.992 5.736 1.00 13.90 H new ATOM 718 N PHE A 45 2.055 2.861 6.563 1.00 6.75 N ATOM 719 CA PHE A 45 3.332 2.186 6.860 1.00 4.70 C ATOM 720 C PHE A 45 3.787 2.657 8.228 1.00 6.34 C ATOM 721 O PHE A 45 4.171 3.804 8.399 1.00 5.45 O ATOM 722 CB PHE A 45 4.421 2.442 5.803 1.00 5.51 C ATOM 723 CG PHE A 45 5.799 1.770 5.955 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.882 0.421 6.389 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.954 2.561 5.822 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.142 -0.111 6.671 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.284 1.994 6.165 1.00 6.64 C ATOM 728 CZ PHE A 45 8.332 0.646 6.425 1.00 6.84 C ATOM 0 H PHE A 45 2.068 3.875 6.671 1.00 6.75 H new ATOM 0 HA PHE A 45 3.169 1.108 6.844 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.016 2.141 4.837 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.586 3.519 5.758 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.991 -0.180 6.499 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.875 3.579 5.471 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.220 -1.107 7.080 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.169 2.611 6.208 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.289 0.146 6.444 1.00 6.84 H new ATOM 738 N ALA A 46 3.608 1.855 9.285 1.00 6.53 N ATOM 739 CA ALA A 46 4.037 2.173 10.612 1.00 7.15 C ATOM 740 C ALA A 46 3.484 3.487 11.193 1.00 9.00 C ATOM 741 O ALA A 46 4.253 4.305 11.707 1.00 11.15 O ATOM 742 CB ALA A 46 5.613 2.111 10.748 1.00 8.99 C ATOM 0 H ALA A 46 3.146 0.948 9.217 1.00 6.53 H new ATOM 0 HA ALA A 46 3.592 1.390 11.226 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.900 2.359 11.770 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.960 1.106 10.507 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.066 2.826 10.061 1.00 8.99 H new ATOM 748 N GLY A 47 2.174 3.655 11.068 1.00 9.35 N ATOM 749 CA GLY A 47 1.466 4.899 11.400 1.00 11.68 C ATOM 750 C GLY A 47 1.469 6.041 10.414 1.00 11.14 C ATOM 751 O GLY A 47 0.898 7.123 10.551 1.00 13.93 O ATOM 0 H GLY A 47 1.555 2.919 10.727 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.426 4.640 11.597 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.884 5.273 12.335 1.00 11.68 H new ATOM 755 N LYS A 48 2.070 5.820 9.262 1.00 10.47 N ATOM 756 CA LYS A 48 2.244 6.920 8.257 1.00 8.82 C ATOM 757 C LYS A 48 1.353 6.712 7.058 1.00 7.68 C ATOM 758 O LYS A 48 1.528 5.660 6.484 1.00 6.47 O ATOM 759 CB LYS A 48 3.757 7.023 7.931 1.00 9.74 C ATOM 760 CG LYS A 48 4.191 8.267 7.122 1.00 14.14 C ATOM 761 CD LYS A 48 3.921 9.619 7.724 1.00 16.32 C ATOM 762 CE LYS A 48 4.922 10.055 8.803 1.00 20.04 C ATOM 763 NZ LYS A 48 6.330 9.972 8.377 1.00 23.92 N ATOM 0 H LYS A 48 2.449 4.917 8.976 1.00 10.47 H new ATOM 0 HA LYS A 48 1.923 7.882 8.657 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.312 7.012 8.869 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.051 6.132 7.376 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.262 8.190 6.936 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.696 8.226 6.152 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.921 10.362 6.927 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.921 9.615 8.157 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.701 11.081 9.097 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.782 9.433 9.687 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.923 10.523 9.030 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.637 8.978 8.384 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.425 10.356 7.415 1.00 23.92 H new ATOM 777 N GLN A 49 0.544 7.637 6.582 1.00 8.89 N ATOM 778 CA GLN A 49 -0.073 7.558 5.275 1.00 7.18 C ATOM 779 C GLN A 49 0.906 7.635 4.095 1.00 8.23 C ATOM 780 O GLN A 49 1.941 8.203 4.168 1.00 9.70 O ATOM 781 CB GLN A 49 -1.098 8.690 5.093 1.00 11.67 C ATOM 782 CG GLN A 49 -2.263 8.664 6.172 1.00 15.82 C ATOM 783 CD GLN A 49 -3.549 9.426 5.756 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.495 8.821 5.334 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.514 10.752 5.882 1.00 20.67 N ATOM 0 H GLN A 49 0.293 8.478 7.102 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.539 6.573 5.256 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.583 9.649 5.148 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.534 8.619 4.096 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.523 7.626 6.381 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.888 9.092 7.102 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.678 11.208 6.248 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.323 11.311 5.612 1.00 20.67 H new ATOM 794 N LEU A 50 0.529 6.934 3.001 1.00 6.51 N ATOM 795 CA LEU A 50 1.250 6.838 1.753 1.00 7.41 C ATOM 796 C LEU A 50 0.464 7.668 0.687 1.00 8.27 C ATOM 797 O LEU A 50 -0.547 7.293 0.133 1.00 8.34 O ATOM 798 CB LEU A 50 1.395 5.369 1.343 1.00 7.13 C ATOM 799 CG LEU A 50 2.165 4.480 2.346 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.444 2.987 1.982 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.595 5.053 2.690 1.00 9.11 C ATOM 0 H LEU A 50 -0.338 6.397 2.986 1.00 6.51 H new ATOM 0 HA LEU A 50 2.259 7.240 1.848 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.400 4.949 1.199 1.00 7.13 H new ATOM 0 HB3 LEU A 50 1.902 5.326 0.379 1.00 7.13 H new ATOM 0 HG LEU A 50 1.444 4.502 3.163 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.993 2.511 2.795 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.498 2.467 1.829 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.036 2.940 1.068 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.092 4.390 3.398 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.189 5.121 1.778 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.493 6.044 3.131 1.00 9.11 H new ATOM 813 N GLU A 51 1.041 8.856 0.381 1.00 9.43 N ATOM 814 CA GLU A 51 0.739 9.811 -0.700 1.00 11.90 C ATOM 815 C GLU A 51 1.110 9.241 -2.044 1.00 11.49 C ATOM 816 O GLU A 51 2.227 8.841 -2.277 1.00 9.88 O ATOM 817 CB GLU A 51 1.470 11.149 -0.561 1.00 16.56 C ATOM 818 CG GLU A 51 1.184 12.178 -1.672 1.00 26.06 C ATOM 819 CD GLU A 51 2.014 13.373 -1.317 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.849 13.924 -0.179 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.761 13.856 -2.199 1.00 32.13 O ATOM 0 H GLU A 51 1.813 9.201 0.952 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.334 9.987 -0.622 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.202 11.592 0.398 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.543 10.957 -0.535 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.455 11.786 -2.652 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.125 12.431 -1.712 1.00 26.06 H new ATOM 828 N ASP A 52 0.092 9.118 -2.955 1.00 12.71 N ATOM 829 CA ASP A 52 0.104 8.301 -4.138 1.00 16.56 C ATOM 830 C ASP A 52 1.228 8.504 -5.103 1.00 15.83 C ATOM 831 O ASP A 52 1.839 7.536 -5.513 1.00 17.21 O ATOM 832 CB ASP A 52 -1.219 8.575 -4.954 1.00 21.05 C ATOM 833 CG ASP A 52 -2.424 8.582 -4.057 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.744 9.623 -3.422 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.153 7.573 -4.026 1.00 28.37 O ATOM 0 H ASP A 52 -0.786 9.625 -2.846 1.00 12.71 H new ATOM 0 HA ASP A 52 0.213 7.290 -3.747 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.140 9.533 -5.467 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.340 7.811 -5.722 1.00 21.05 H new ATOM 840 N GLY A 53 1.655 9.787 -5.354 1.00 15.00 N ATOM 841 CA GLY A 53 2.702 10.087 -6.293 1.00 11.77 C ATOM 842 C GLY A 53 4.098 9.864 -5.791 1.00 11.10 C ATOM 843 O GLY A 53 5.013 10.045 -6.540 1.00 11.25 O ATOM 0 H GLY A 53 1.262 10.609 -4.896 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.553 9.478 -7.185 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.606 11.129 -6.599 1.00 11.77 H new ATOM 847 N ARG A 54 4.339 9.473 -4.558 1.00 8.53 N ATOM 848 CA ARG A 54 5.695 9.307 -4.101 1.00 9.05 C ATOM 849 C ARG A 54 6.113 7.897 -4.281 1.00 8.96 C ATOM 850 O ARG A 54 5.279 6.987 -4.286 1.00 11.60 O ATOM 851 CB ARG A 54 5.774 9.686 -2.562 1.00 7.97 C ATOM 852 CG ARG A 54 5.177 11.106 -2.278 1.00 9.62 C ATOM 853 CD ARG A 54 5.878 11.791 -1.143 1.00 12.20 C ATOM 854 NE ARG A 54 5.056 12.983 -0.873 1.00 18.23 N ATOM 855 CZ ARG A 54 5.213 13.730 0.239 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.362 13.737 0.958 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.254 14.497 0.740 1.00 23.38 N ATOM 0 H ARG A 54 3.621 9.267 -3.864 1.00 8.53 H new ATOM 0 HA ARG A 54 6.356 9.955 -4.677 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.234 8.942 -1.977 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.813 9.657 -2.234 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.255 11.719 -3.176 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.116 11.014 -2.047 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.942 11.145 -0.267 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.898 12.064 -1.413 1.00 12.20 H new ATOM 0 HE ARG A 54 4.343 13.253 -1.551 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.151 13.162 0.664 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.437 14.317 1.793 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.344 14.542 0.281 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.426 15.042 1.585 1.00 23.38 H new ATOM 871 N THR A 55 7.437 7.589 -4.448 1.00 9.05 N ATOM 872 CA THR A 55 7.889 6.205 -4.575 1.00 9.03 C ATOM 873 C THR A 55 7.967 5.467 -3.223 1.00 8.15 C ATOM 874 O THR A 55 8.103 6.142 -2.166 1.00 5.91 O ATOM 875 CB THR A 55 9.231 6.178 -5.259 1.00 11.15 C ATOM 876 OG1 THR A 55 10.074 7.240 -4.842 1.00 11.95 O ATOM 877 CG2 THR A 55 9.056 6.352 -6.785 1.00 11.71 C ATOM 0 H THR A 55 8.183 8.283 -4.495 1.00 9.05 H new ATOM 0 HA THR A 55 7.147 5.676 -5.173 1.00 9.03 H new ATOM 0 HB THR A 55 9.678 5.219 -4.998 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.932 7.180 -5.311 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.033 6.331 -7.268 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.440 5.542 -7.175 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.571 7.307 -6.989 1.00 11.71 H new ATOM 885 N LEU A 56 8.038 4.112 -3.276 1.00 6.91 N ATOM 886 CA LEU A 56 8.418 3.263 -2.152 1.00 8.29 C ATOM 887 C LEU A 56 9.774 3.567 -1.456 1.00 8.05 C ATOM 888 O LEU A 56 9.837 3.711 -0.192 1.00 10.17 O ATOM 889 CB LEU A 56 8.424 1.750 -2.664 1.00 6.60 C ATOM 890 CG LEU A 56 7.066 1.057 -2.852 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.219 -0.356 -3.446 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.135 1.013 -1.612 1.00 8.64 C ATOM 0 H LEU A 56 7.826 3.584 -4.123 1.00 6.91 H new ATOM 0 HA LEU A 56 7.678 3.467 -1.379 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.951 1.720 -3.618 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.008 1.159 -1.958 1.00 6.60 H new ATOM 0 HG LEU A 56 6.559 1.711 -3.561 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.235 -0.810 -3.562 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.706 -0.291 -4.419 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.824 -0.968 -2.777 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.209 0.499 -1.870 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.632 0.479 -0.802 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.909 2.030 -1.291 1.00 8.64 H new ATOM 904 N SER A 57 10.808 3.831 -2.222 1.00 8.92 N ATOM 905 CA SER A 57 12.042 4.370 -1.707 1.00 9.00 C ATOM 906 C SER A 57 12.039 5.664 -1.018 1.00 9.44 C ATOM 907 O SER A 57 12.715 5.813 0.011 1.00 10.91 O ATOM 908 CB SER A 57 13.089 4.351 -2.798 1.00 10.32 C ATOM 909 OG SER A 57 12.698 5.230 -3.829 1.00 13.59 O ATOM 0 H SER A 57 10.814 3.675 -3.230 1.00 8.92 H new ATOM 0 HA SER A 57 12.267 3.696 -0.880 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.057 4.650 -2.396 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.206 3.340 -3.190 1.00 10.32 H new ATOM 0 HG SER A 57 13.374 5.223 -4.539 1.00 13.59 H new ATOM 915 N ASP A 58 11.205 6.638 -1.502 1.00 9.11 N ATOM 916 CA ASP A 58 11.000 7.928 -0.838 1.00 7.91 C ATOM 917 C ASP A 58 10.449 7.688 0.510 1.00 9.12 C ATOM 918 O ASP A 58 10.724 8.384 1.478 1.00 8.61 O ATOM 919 CB ASP A 58 10.120 8.769 -1.737 1.00 8.41 C ATOM 920 CG ASP A 58 10.078 10.194 -1.298 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.162 10.889 -1.217 1.00 11.70 O ATOM 922 OD2 ASP A 58 8.990 10.721 -0.981 1.00 10.05 O ATOM 0 H ASP A 58 10.667 6.532 -2.362 1.00 9.11 H new ATOM 0 HA ASP A 58 11.926 8.482 -0.686 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.490 8.715 -2.761 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.109 8.360 -1.741 1.00 8.41 H new ATOM 927 N TYR A 59 9.467 6.710 0.638 1.00 7.97 N ATOM 928 CA TYR A 59 8.745 6.501 1.968 1.00 8.45 C ATOM 929 C TYR A 59 9.508 5.554 2.850 1.00 10.98 C ATOM 930 O TYR A 59 9.045 5.103 3.879 1.00 12.95 O ATOM 931 CB TYR A 59 7.306 5.982 1.872 1.00 7.94 C ATOM 932 CG TYR A 59 6.320 7.089 1.772 1.00 6.91 C ATOM 933 CD1 TYR A 59 5.899 7.608 2.916 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.636 7.566 0.566 1.00 6.98 C ATOM 935 CE1 TYR A 59 4.965 8.611 3.036 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.721 8.605 0.643 1.00 6.52 C ATOM 937 CZ TYR A 59 4.316 9.105 1.860 1.00 6.76 C ATOM 938 OH TYR A 59 3.275 10.016 1.953 1.00 7.63 O ATOM 0 H TYR A 59 9.170 6.088 -0.114 1.00 7.97 H new ATOM 0 HA TYR A 59 8.695 7.506 2.386 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.212 5.333 1.001 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.081 5.374 2.748 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.323 7.212 3.827 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.846 7.105 -0.388 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.724 9.021 4.006 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.320 9.029 -0.266 1.00 6.52 H new ATOM 0 HH TYR A 59 2.638 9.716 2.635 1.00 7.63 H new ATOM 948 N ASN A 60 10.734 5.072 2.355 1.00 12.38 N ATOM 949 CA ASN A 60 11.630 4.330 3.156 1.00 13.94 C ATOM 950 C ASN A 60 11.094 2.903 3.328 1.00 14.16 C ATOM 951 O ASN A 60 11.329 2.314 4.371 1.00 14.26 O ATOM 952 CB ASN A 60 12.061 4.944 4.544 1.00 19.23 C ATOM 953 CG ASN A 60 12.450 6.431 4.424 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.509 6.817 3.918 1.00 25.45 O ATOM 955 ND2 ASN A 60 11.631 7.316 5.045 1.00 24.09 N ATOM 0 H ASN A 60 11.056 5.222 1.399 1.00 12.38 H new ATOM 0 HA ASN A 60 12.565 4.351 2.597 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.242 4.840 5.256 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.904 4.380 4.943 1.00 19.23 H new ATOM 0 HD21 ASN A 60 11.889 8.302 5.095 1.00 24.09 H new ATOM 0 HD22 ASN A 60 10.757 6.996 5.462 1.00 24.09 H new ATOM 962 N ILE A 61 10.406 2.373 2.277 1.00 11.08 N ATOM 963 CA ILE A 61 9.810 1.090 2.312 1.00 11.78 C ATOM 964 C ILE A 61 10.783 0.179 1.563 1.00 13.74 C ATOM 965 O ILE A 61 11.163 0.325 0.394 1.00 14.60 O ATOM 966 CB ILE A 61 8.471 1.076 1.585 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.520 2.124 2.382 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.876 -0.352 1.631 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.275 2.619 1.572 1.00 11.42 C ATOM 0 H ILE A 61 10.273 2.863 1.393 1.00 11.08 H new ATOM 0 HA ILE A 61 9.625 0.777 3.340 1.00 11.78 H new ATOM 0 HB ILE A 61 8.567 1.358 0.536 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.175 1.654 3.303 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.117 2.989 2.671 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.918 -0.364 1.111 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.561 -1.047 1.146 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.730 -0.652 2.669 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.698 3.314 2.181 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.608 3.122 0.664 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.651 1.766 1.306 1.00 11.42 H new ATOM 981 N GLN A 62 11.191 -0.848 2.300 1.00 13.97 N ATOM 982 CA GLN A 62 12.288 -1.767 1.946 1.00 15.52 C ATOM 983 C GLN A 62 11.844 -3.217 2.068 1.00 13.94 C ATOM 984 O GLN A 62 10.792 -3.419 2.603 1.00 12.15 O ATOM 985 CB GLN A 62 13.511 -1.494 2.903 1.00 19.53 C ATOM 986 CG GLN A 62 14.135 -0.076 2.897 1.00 26.38 C ATOM 987 CD GLN A 62 15.111 0.007 4.066 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.765 0.244 5.228 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.412 -0.215 3.842 1.00 32.71 N ATOM 0 H GLN A 62 10.757 -1.079 3.194 1.00 13.97 H new ATOM 0 HA GLN A 62 12.579 -1.592 0.910 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.194 -1.715 3.922 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.297 -2.206 2.652 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.650 0.111 1.955 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.359 0.684 2.992 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.740 -0.414 2.897 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.075 -0.185 4.616 1.00 32.71 H new ATOM 998 N LYS A 63 12.626 -4.176 1.562 1.00 11.73 N ATOM 999 CA LYS A 63 12.339 -5.644 1.660 1.00 11.97 C ATOM 1000 C LYS A 63 11.970 -6.190 2.992 1.00 10.41 C ATOM 1001 O LYS A 63 12.399 -5.829 4.119 1.00 9.59 O ATOM 1002 CB LYS A 63 13.562 -6.508 1.145 1.00 13.73 C ATOM 1003 CG LYS A 63 14.942 -6.254 1.867 1.00 16.98 C ATOM 1004 CD LYS A 63 15.962 -7.380 1.560 1.00 20.19 C ATOM 1005 CE LYS A 63 17.291 -7.106 2.259 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.324 -7.250 3.795 1.00 25.97 N ATOM 0 H LYS A 63 13.492 -3.971 1.063 1.00 11.73 H new ATOM 0 HA LYS A 63 11.451 -5.726 1.033 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.307 -7.562 1.253 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.692 -6.319 0.079 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.350 -5.295 1.547 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.784 -6.189 2.943 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.563 -8.339 1.889 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.119 -7.452 0.484 1.00 20.19 H new ATOM 0 HE2 LYS A 63 18.038 -7.781 1.841 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.602 -6.092 2.008 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.281 -7.037 4.143 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.645 -6.587 4.221 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.068 -8.223 4.058 1.00 25.97 H new ATOM 1020 N GLU A 64 10.955 -7.091 2.947 1.00 10.04 N ATOM 1021 CA GLU A 64 10.313 -7.745 4.056 1.00 10.94 C ATOM 1022 C GLU A 64 9.633 -6.795 5.061 1.00 9.74 C ATOM 1023 O GLU A 64 9.338 -7.184 6.208 1.00 9.42 O ATOM 1024 CB GLU A 64 11.216 -8.814 4.654 1.00 18.31 C ATOM 1025 CG GLU A 64 11.774 -9.855 3.585 1.00 24.16 C ATOM 1026 CD GLU A 64 12.242 -11.127 4.279 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.138 -11.131 5.099 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.736 -12.210 3.858 1.00 31.72 O ATOM 0 H GLU A 64 10.553 -7.383 2.056 1.00 10.04 H new ATOM 0 HA GLU A 64 9.448 -8.278 3.660 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.058 -8.330 5.150 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.663 -9.356 5.421 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.996 -10.094 2.860 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.601 -9.410 3.031 1.00 24.16 H new ATOM 1035 N SER A 65 9.324 -5.550 4.653 1.00 6.85 N ATOM 1036 CA SER A 65 8.532 -4.584 5.385 1.00 6.90 C ATOM 1037 C SER A 65 7.055 -5.046 5.583 1.00 4.72 C ATOM 1038 O SER A 65 6.393 -5.637 4.714 1.00 3.91 O ATOM 1039 CB SER A 65 8.507 -3.099 4.851 1.00 7.28 C ATOM 1040 OG SER A 65 9.764 -2.385 5.054 1.00 10.56 O ATOM 0 H SER A 65 9.644 -5.187 3.755 1.00 6.85 H new ATOM 0 HA SER A 65 9.078 -4.555 6.328 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.271 -3.108 3.787 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.705 -2.555 5.350 1.00 7.28 H new ATOM 0 HG SER A 65 10.397 -2.630 4.347 1.00 10.56 H new ATOM 1046 N THR A 66 6.486 -4.755 6.797 1.00 4.48 N ATOM 1047 CA THR A 66 5.060 -4.915 7.110 1.00 3.80 C ATOM 1048 C THR A 66 4.354 -3.639 6.886 1.00 4.60 C ATOM 1049 O THR A 66 4.824 -2.585 7.257 1.00 5.33 O ATOM 1050 CB THR A 66 4.784 -5.593 8.427 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.156 -6.964 8.360 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.269 -5.681 8.587 1.00 3.40 C ATOM 0 H THR A 66 7.029 -4.399 7.584 1.00 4.48 H new ATOM 0 HA THR A 66 4.635 -5.635 6.410 1.00 3.80 H new ATOM 0 HB THR A 66 5.309 -5.045 9.209 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.974 -7.395 9.221 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.031 -6.168 9.533 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.843 -4.678 8.578 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.849 -6.260 7.765 1.00 3.40 H new ATOM 1060 N LEU A 67 3.205 -3.646 6.220 1.00 4.17 N ATOM 1061 CA LEU A 67 2.443 -2.475 5.901 1.00 3.85 C ATOM 1062 C LEU A 67 0.941 -2.756 6.256 1.00 3.80 C ATOM 1063 O LEU A 67 0.595 -3.912 6.469 1.00 5.54 O ATOM 1064 CB LEU A 67 2.542 -2.050 4.362 1.00 7.18 C ATOM 1065 CG LEU A 67 3.951 -1.538 3.943 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.877 -2.622 3.474 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.973 -0.402 2.894 1.00 11.66 C ATOM 0 H LEU A 67 2.775 -4.506 5.881 1.00 4.17 H new ATOM 0 HA LEU A 67 2.854 -1.649 6.481 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.276 -2.905 3.740 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.807 -1.270 4.162 1.00 7.18 H new ATOM 0 HG LEU A 67 4.309 -1.124 4.886 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.838 -2.186 3.200 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.023 -3.348 4.274 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.444 -3.120 2.607 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.005 -0.126 2.678 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.490 -0.743 1.978 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.440 0.465 3.285 1.00 11.66 H new ATOM 1079 N HIS A 68 0.123 -1.677 6.315 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.234 -1.863 6.686 1.00 4.17 C ATOM 1081 C HIS A 68 -2.064 -1.262 5.538 1.00 5.32 C ATOM 1082 O HIS A 68 -1.658 -0.267 4.949 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.602 -1.325 8.100 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.278 -2.373 9.120 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.014 -2.560 9.572 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.072 -3.171 9.880 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.064 -3.495 10.564 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.303 -3.836 10.822 1.00 16.30 N ATOM 0 H HIS A 68 0.398 -0.716 6.112 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.455 -2.923 6.807 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.048 -0.410 8.311 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.662 -1.073 8.143 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.141 -3.272 9.767 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.801 -3.900 11.069 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.632 -4.459 11.560 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.270 -1.776 5.247 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.252 -1.177 4.323 1.00 3.97 C ATOM 1098 C LEU A 69 -5.567 -1.050 5.090 1.00 5.07 C ATOM 1099 O LEU A 69 -6.204 -1.955 5.645 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.548 -2.106 3.127 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.579 -1.843 1.980 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.305 -2.592 0.743 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.018 -2.211 2.412 1.00 9.96 C ATOM 0 H LEU A 69 -3.601 -2.648 5.661 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.855 -0.229 3.961 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.590 -2.257 2.630 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.834 -3.063 3.564 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.480 -0.776 1.780 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.064 -2.354 -0.002 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.322 -2.316 0.360 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.325 -3.661 0.953 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.706 -2.015 1.590 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.060 -3.268 2.676 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.304 -1.610 3.275 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.057 0.218 5.033 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.259 0.628 5.721 1.00 6.26 C ATOM 1117 C VAL A 70 -8.267 1.002 4.682 1.00 9.22 C ATOM 1118 O VAL A 70 -8.035 1.808 3.743 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.973 1.784 6.703 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.221 2.395 7.459 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.890 1.385 7.722 1.00 8.54 C ATOM 0 H VAL A 70 -5.612 0.966 4.502 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.650 -0.187 6.330 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.624 2.586 6.053 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.890 3.197 8.118 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.929 2.792 6.731 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.705 1.617 8.049 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.707 2.217 8.403 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.227 0.518 8.291 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.968 1.137 7.195 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.435 0.312 4.690 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.494 0.661 3.726 1.00 16.06 C ATOM 1133 C LEU A 71 -10.950 2.096 3.845 1.00 18.09 C ATOM 1134 O LEU A 71 -10.908 2.697 4.915 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.735 -0.255 3.716 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.689 -0.122 2.506 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.176 -0.575 1.124 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.057 -0.911 2.623 1.00 19.57 C ATOM 0 H LEU A 71 -9.657 -0.455 5.325 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.986 0.505 2.775 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.395 -1.289 3.768 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.308 -0.062 4.623 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.795 0.962 2.555 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.956 -0.421 0.378 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.295 0.007 0.854 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.914 -1.632 1.162 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.649 -0.749 1.722 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.854 -1.976 2.737 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.611 -0.552 3.490 1.00 19.57 H new