USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.515 K(o=-0.52,f=-1.3) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.01) USER MOD Set 3.1: A 7 THR OG1 : rot 150:sc= 1.61 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.999 USER MOD Single : A 1 MET CE :methyl -169:sc=-0.00419 (180deg=-0.0851) USER MOD Single : A 1 MET N :NH3+ -173:sc= 1.39 (180deg=1.36) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 1.01 (180deg=0.732) USER MOD Single : A 12 THR OG1 : rot 8:sc= 0.0411 USER MOD Single : A 14 THR OG1 : rot -99:sc= 0.0872 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 2.05 (180deg=1.71) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= 0.131 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.0384 K(o=-0.038,f=-4.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 59 TYR OH : rot 60:sc= 0.803 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 93:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.1 K(o=-0.1,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.143 -7.808 -5.485 1.00 9.67 N ATOM 2 CA MET A 1 11.103 -7.881 -4.036 1.00 10.38 C ATOM 3 C MET A 1 9.672 -7.990 -3.495 1.00 9.62 C ATOM 4 O MET A 1 8.658 -7.705 -4.119 1.00 9.62 O ATOM 5 CB MET A 1 11.916 -6.796 -3.363 1.00 13.77 C ATOM 6 CG MET A 1 11.330 -5.395 -3.289 1.00 16.29 C ATOM 7 SD MET A 1 12.430 -4.211 -2.411 1.00 17.17 S ATOM 8 CE MET A 1 11.082 -3.005 -2.578 1.00 16.11 C ATOM 0 H1 MET A 1 12.130 -7.855 -5.808 1.00 9.67 H new ATOM 0 H2 MET A 1 10.609 -8.604 -5.888 1.00 9.67 H new ATOM 0 H3 MET A 1 10.718 -6.912 -5.799 1.00 9.67 H new ATOM 0 HA MET A 1 11.597 -8.814 -3.766 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.126 -7.122 -2.344 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.873 -6.729 -3.880 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.143 -5.030 -4.299 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.367 -5.435 -2.781 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.445 -2.014 -2.307 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.730 -2.993 -3.610 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.261 -3.284 -1.918 1.00 16.11 H new ATOM 20 N GLN A 2 9.545 -8.481 -2.223 1.00 9.27 N ATOM 21 CA GLN A 2 8.285 -8.765 -1.479 1.00 9.07 C ATOM 22 C GLN A 2 8.035 -7.929 -0.228 1.00 8.72 C ATOM 23 O GLN A 2 8.980 -7.591 0.562 1.00 8.22 O ATOM 24 CB GLN A 2 8.222 -10.291 -1.133 1.00 14.46 C ATOM 25 CG GLN A 2 8.970 -10.687 0.155 1.00 17.01 C ATOM 26 CD GLN A 2 9.096 -12.134 0.439 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.442 -12.765 1.266 1.00 21.89 O ATOM 28 NE2 GLN A 2 10.090 -12.764 -0.271 1.00 19.49 N ATOM 0 H GLN A 2 10.368 -8.700 -1.662 1.00 9.27 H new ATOM 0 HA GLN A 2 7.484 -8.470 -2.156 1.00 9.07 H new ATOM 0 HB2 GLN A 2 7.177 -10.586 -1.036 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.637 -10.857 -1.967 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.973 -10.262 0.109 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.463 -10.219 0.999 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.635 -12.243 -0.958 1.00 19.49 H new ATOM 0 HE22 GLN A 2 10.283 -13.753 -0.111 1.00 19.49 H new ATOM 37 N ILE A 3 6.788 -7.521 -0.079 1.00 5.87 N ATOM 38 CA ILE A 3 6.333 -6.755 1.124 1.00 5.07 C ATOM 39 C ILE A 3 5.002 -7.271 1.563 1.00 4.01 C ATOM 40 O ILE A 3 4.324 -7.841 0.717 1.00 4.61 O ATOM 41 CB ILE A 3 6.140 -5.226 0.832 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.208 -5.043 -0.384 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.577 -4.649 0.731 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.974 -3.553 -0.712 1.00 10.83 C ATOM 0 H ILE A 3 6.052 -7.695 -0.764 1.00 5.87 H new ATOM 0 HA ILE A 3 7.106 -6.883 1.881 1.00 5.07 H new ATOM 0 HB ILE A 3 5.622 -4.662 1.608 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.641 -5.542 -1.251 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.251 -5.525 -0.184 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.526 -3.579 0.527 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.103 -4.815 1.671 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.113 -5.147 -0.077 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.313 -3.470 -1.574 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.516 -3.059 0.145 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.928 -3.076 -0.939 1.00 10.83 H new ATOM 56 N PHE A 4 4.622 -7.164 2.865 1.00 4.55 N ATOM 57 CA PHE A 4 3.431 -7.735 3.384 1.00 4.68 C ATOM 58 C PHE A 4 2.445 -6.637 3.658 1.00 5.30 C ATOM 59 O PHE A 4 2.724 -5.715 4.388 1.00 5.58 O ATOM 60 CB PHE A 4 3.660 -8.456 4.789 1.00 4.83 C ATOM 61 CG PHE A 4 4.705 -9.571 4.596 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.510 -10.703 3.886 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.002 -9.288 5.123 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.547 -11.592 3.507 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.091 -10.185 4.794 1.00 10.61 C ATOM 66 CZ PHE A 4 6.862 -11.309 3.983 1.00 8.90 C ATOM 0 H PHE A 4 5.170 -6.662 3.564 1.00 4.55 H new ATOM 0 HA PHE A 4 3.086 -8.458 2.645 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.004 -7.737 5.533 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.723 -8.873 5.159 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.501 -10.946 3.588 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.167 -8.426 5.752 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.349 -12.450 2.882 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.083 -9.989 5.174 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.683 -11.960 3.719 1.00 8.90 H new ATOM 76 N VAL A 5 1.239 -6.676 3.069 1.00 4.44 N ATOM 77 CA VAL A 5 0.171 -5.716 3.301 1.00 3.87 C ATOM 78 C VAL A 5 -0.926 -6.361 4.072 1.00 4.93 C ATOM 79 O VAL A 5 -1.599 -7.323 3.594 1.00 6.84 O ATOM 80 CB VAL A 5 -0.395 -5.021 2.091 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.407 -3.896 2.529 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.772 -4.336 1.320 1.00 9.13 C ATOM 0 H VAL A 5 0.982 -7.402 2.400 1.00 4.44 H new ATOM 0 HA VAL A 5 0.651 -4.916 3.864 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.907 -5.755 1.469 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.808 -3.402 1.644 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.224 -4.342 3.097 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.891 -3.164 3.150 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.378 -3.828 0.440 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.261 -3.610 1.970 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.495 -5.090 1.010 1.00 9.13 H new ATOM 92 N LYS A 6 -1.123 -5.858 5.254 1.00 6.04 N ATOM 93 CA LYS A 6 -1.954 -6.433 6.216 1.00 6.12 C ATOM 94 C LYS A 6 -3.309 -5.765 6.209 1.00 6.57 C ATOM 95 O LYS A 6 -3.387 -4.580 6.053 1.00 5.76 O ATOM 96 CB LYS A 6 -1.290 -6.318 7.577 1.00 7.45 C ATOM 97 CG LYS A 6 0.126 -7.025 7.609 1.00 11.12 C ATOM 98 CD LYS A 6 0.386 -7.511 9.064 1.00 14.54 C ATOM 99 CE LYS A 6 1.409 -8.649 9.188 1.00 18.84 C ATOM 100 NZ LYS A 6 1.547 -9.081 10.611 1.00 20.55 N ATOM 0 H LYS A 6 -0.679 -4.995 5.568 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.108 -7.487 5.987 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.175 -5.266 7.836 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.935 -6.764 8.334 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.148 -7.866 6.916 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.906 -6.332 7.293 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.730 -6.665 9.659 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.559 -7.841 9.496 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.097 -9.494 8.575 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.376 -8.319 8.807 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.243 -9.851 10.674 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.867 -8.277 11.188 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.627 -9.416 10.963 1.00 20.55 H new ATOM 114 N THR A 7 -4.415 -6.513 6.465 1.00 7.41 N ATOM 115 CA THR A 7 -5.731 -5.950 6.205 1.00 7.48 C ATOM 116 C THR A 7 -6.533 -5.923 7.473 1.00 8.75 C ATOM 117 O THR A 7 -6.126 -6.568 8.425 1.00 8.58 O ATOM 118 CB THR A 7 -6.510 -6.653 5.077 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.153 -7.811 5.481 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.502 -7.043 3.994 1.00 9.17 C ATOM 0 H THR A 7 -4.409 -7.464 6.835 1.00 7.41 H new ATOM 0 HA THR A 7 -5.564 -4.934 5.846 1.00 7.48 H new ATOM 0 HB THR A 7 -7.276 -5.959 4.731 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.958 -7.944 4.939 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.021 -7.545 3.177 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.010 -6.147 3.615 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.756 -7.715 4.417 1.00 9.17 H new ATOM 128 N LEU A 8 -7.732 -5.344 7.548 1.00 9.84 N ATOM 129 CA LEU A 8 -8.706 -5.487 8.603 1.00 14.15 C ATOM 130 C LEU A 8 -9.867 -6.435 8.171 1.00 17.37 C ATOM 131 O LEU A 8 -10.915 -6.482 8.827 1.00 17.01 O ATOM 132 CB LEU A 8 -9.422 -4.144 9.016 1.00 16.63 C ATOM 133 CG LEU A 8 -8.459 -2.972 9.126 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.152 -1.586 9.120 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.631 -3.173 10.435 1.00 18.59 C ATOM 0 H LEU A 8 -8.061 -4.719 6.812 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.120 -5.871 9.438 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.192 -3.908 8.282 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.926 -4.285 9.972 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.821 -2.966 8.242 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.399 -0.802 9.202 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.707 -1.461 8.190 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.839 -1.519 9.964 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.926 -2.349 10.550 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.305 -3.196 11.292 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.083 -4.114 10.378 1.00 18.59 H new ATOM 147 N THR A 9 -9.650 -7.209 7.104 1.00 18.33 N ATOM 148 CA THR A 9 -10.699 -8.071 6.498 1.00 19.24 C ATOM 149 C THR A 9 -10.471 -9.559 6.744 1.00 19.48 C ATOM 150 O THR A 9 -11.259 -10.401 6.264 1.00 23.14 O ATOM 151 CB THR A 9 -10.796 -7.926 4.957 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.586 -8.229 4.306 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.057 -6.479 4.577 1.00 19.70 C ATOM 0 H THR A 9 -8.749 -7.264 6.629 1.00 18.33 H new ATOM 0 HA THR A 9 -11.610 -7.724 6.986 1.00 19.24 H new ATOM 0 HB THR A 9 -11.592 -8.609 4.659 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.700 -8.124 3.338 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.122 -6.394 3.492 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.995 -6.149 5.024 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.241 -5.854 4.941 1.00 19.70 H new ATOM 161 N GLY A 10 -9.379 -9.896 7.554 1.00 19.43 N ATOM 162 CA GLY A 10 -8.905 -11.245 7.738 1.00 18.74 C ATOM 163 C GLY A 10 -7.903 -11.780 6.761 1.00 17.62 C ATOM 164 O GLY A 10 -7.900 -12.997 6.455 1.00 19.74 O ATOM 0 H GLY A 10 -8.840 -9.203 8.073 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.468 -11.312 8.734 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.771 -11.907 7.724 1.00 18.74 H new ATOM 168 N LYS A 11 -6.956 -10.967 6.278 1.00 13.56 N ATOM 169 CA LYS A 11 -6.031 -11.357 5.222 1.00 11.91 C ATOM 170 C LYS A 11 -4.663 -10.739 5.511 1.00 10.18 C ATOM 171 O LYS A 11 -4.448 -9.812 6.293 1.00 9.10 O ATOM 172 CB LYS A 11 -6.498 -11.026 3.785 1.00 13.43 C ATOM 173 CG LYS A 11 -7.967 -11.446 3.535 1.00 16.69 C ATOM 174 CD LYS A 11 -8.253 -11.249 2.017 1.00 17.92 C ATOM 175 CE LYS A 11 -9.699 -11.583 1.624 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.952 -11.322 0.122 1.00 21.93 N ATOM 0 H LYS A 11 -6.814 -10.015 6.615 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.980 -12.446 5.241 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.393 -9.956 3.608 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.851 -11.532 3.069 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -8.124 -12.485 3.824 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.647 -10.842 4.136 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.039 -10.215 1.745 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.573 -11.877 1.442 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -9.907 -12.628 1.853 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -10.387 -10.983 2.220 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.885 -11.698 -0.143 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.926 -10.299 -0.062 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.216 -11.793 -0.441 1.00 21.93 H new ATOM 190 N THR A 12 -3.670 -11.235 4.806 1.00 9.63 N ATOM 191 CA THR A 12 -2.354 -10.609 4.608 1.00 9.85 C ATOM 192 C THR A 12 -2.019 -10.845 3.179 1.00 11.66 C ATOM 193 O THR A 12 -1.920 -11.994 2.736 1.00 12.33 O ATOM 194 CB THR A 12 -1.258 -11.158 5.535 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.496 -10.904 6.903 1.00 10.91 O ATOM 196 CG2 THR A 12 0.155 -10.598 5.141 1.00 9.63 C ATOM 0 H THR A 12 -3.749 -12.131 4.325 1.00 9.63 H new ATOM 0 HA THR A 12 -2.403 -9.550 4.859 1.00 9.85 H new ATOM 0 HB THR A 12 -1.280 -12.239 5.396 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.391 -10.519 7.013 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.909 -11.005 5.815 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.389 -10.889 4.117 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.150 -9.511 5.217 1.00 9.63 H new ATOM 204 N ILE A 13 -1.844 -9.790 2.350 1.00 10.42 N ATOM 205 CA ILE A 13 -1.571 -9.861 0.951 1.00 11.84 C ATOM 206 C ILE A 13 -0.098 -9.626 0.753 1.00 10.55 C ATOM 207 O ILE A 13 0.383 -8.586 1.206 1.00 11.92 O ATOM 208 CB ILE A 13 -2.342 -8.687 0.315 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.813 -8.626 0.665 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.098 -8.749 -1.208 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.362 -7.262 0.201 1.00 16.46 C ATOM 0 H ILE A 13 -1.898 -8.829 2.686 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.856 -10.820 0.519 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.958 -7.757 0.734 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.353 -9.438 0.179 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.954 -8.747 1.739 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.629 -7.931 -1.695 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.031 -8.659 -1.409 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.462 -9.700 -1.596 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.423 -7.195 0.443 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.823 -6.461 0.708 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.229 -7.164 -0.876 1.00 16.46 H new ATOM 223 N THR A 14 0.617 -10.573 0.130 1.00 9.39 N ATOM 224 CA THR A 14 2.060 -10.356 -0.100 1.00 9.63 C ATOM 225 C THR A 14 2.170 -9.823 -1.497 1.00 11.20 C ATOM 226 O THR A 14 1.635 -10.326 -2.516 1.00 11.63 O ATOM 227 CB THR A 14 2.854 -11.571 0.053 1.00 10.38 C ATOM 228 OG1 THR A 14 2.633 -12.162 1.307 1.00 16.30 O ATOM 229 CG2 THR A 14 4.368 -11.260 -0.054 1.00 11.66 C ATOM 0 H THR A 14 0.246 -11.459 -0.212 1.00 9.39 H new ATOM 0 HA THR A 14 2.458 -9.665 0.643 1.00 9.63 H new ATOM 0 HB THR A 14 2.549 -12.249 -0.744 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.358 -11.914 1.918 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.938 -12.182 0.063 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.582 -10.823 -1.029 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.651 -10.556 0.729 1.00 11.66 H new ATOM 237 N LEU A 15 2.835 -8.638 -1.660 1.00 8.29 N ATOM 238 CA LEU A 15 2.922 -7.916 -2.924 1.00 9.03 C ATOM 239 C LEU A 15 4.310 -8.065 -3.539 1.00 8.59 C ATOM 240 O LEU A 15 5.294 -7.897 -2.868 1.00 7.79 O ATOM 241 CB LEU A 15 2.546 -6.405 -2.717 1.00 11.08 C ATOM 242 CG LEU A 15 1.082 -6.132 -2.399 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.933 -4.626 -2.379 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.053 -6.728 -3.333 1.00 15.27 C ATOM 0 H LEU A 15 3.323 -8.171 -0.896 1.00 8.29 H new ATOM 0 HA LEU A 15 2.206 -8.349 -3.622 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.156 -6.004 -1.908 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.812 -5.855 -3.620 1.00 11.08 H new ATOM 0 HG LEU A 15 0.869 -6.624 -1.450 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.101 -4.366 -2.155 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.587 -4.206 -1.615 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.206 -4.220 -3.353 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.947 -6.458 -2.993 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.210 -6.343 -4.341 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.153 -7.813 -3.340 1.00 15.27 H new ATOM 256 N GLU A 16 4.429 -8.233 -4.870 1.00 11.04 N ATOM 257 CA GLU A 16 5.711 -8.122 -5.628 1.00 11.50 C ATOM 258 C GLU A 16 5.946 -6.692 -6.140 1.00 10.13 C ATOM 259 O GLU A 16 5.096 -6.165 -6.887 1.00 9.83 O ATOM 260 CB GLU A 16 5.856 -9.142 -6.817 1.00 17.22 C ATOM 261 CG GLU A 16 7.295 -9.362 -7.344 1.00 23.33 C ATOM 262 CD GLU A 16 8.228 -10.104 -6.390 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.775 -11.082 -5.734 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.352 -9.643 -6.219 1.00 28.90 O ATOM 0 H GLU A 16 3.631 -8.453 -5.467 1.00 11.04 H new ATOM 0 HA GLU A 16 6.479 -8.382 -4.900 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.456 -10.104 -6.497 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.235 -8.798 -7.644 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.241 -9.918 -8.280 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.733 -8.391 -7.574 1.00 23.33 H new ATOM 271 N VAL A 17 6.975 -6.032 -5.666 1.00 8.99 N ATOM 272 CA VAL A 17 7.161 -4.619 -5.959 1.00 8.85 C ATOM 273 C VAL A 17 8.616 -4.305 -6.176 1.00 8.04 C ATOM 274 O VAL A 17 9.425 -5.112 -5.635 1.00 8.99 O ATOM 275 CB VAL A 17 6.720 -3.727 -4.771 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.148 -3.878 -4.658 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.440 -4.125 -3.392 1.00 10.54 C ATOM 0 H VAL A 17 7.699 -6.443 -5.076 1.00 8.99 H new ATOM 0 HA VAL A 17 6.563 -4.418 -6.847 1.00 8.85 H new ATOM 0 HB VAL A 17 7.012 -2.693 -4.955 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.782 -3.267 -3.833 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.683 -3.548 -5.587 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.895 -4.923 -4.476 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.092 -3.466 -2.596 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.198 -5.158 -3.140 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.519 -4.022 -3.502 1.00 10.54 H new ATOM 287 N GLU A 18 8.999 -3.226 -6.832 1.00 7.29 N ATOM 288 CA GLU A 18 10.382 -2.803 -7.015 1.00 7.08 C ATOM 289 C GLU A 18 10.533 -1.456 -6.231 1.00 6.45 C ATOM 290 O GLU A 18 9.551 -0.758 -5.951 1.00 5.28 O ATOM 291 CB GLU A 18 10.704 -2.326 -8.429 1.00 10.28 C ATOM 292 CG GLU A 18 10.439 -3.384 -9.520 1.00 12.65 C ATOM 293 CD GLU A 18 10.990 -2.942 -10.840 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.434 -2.082 -11.513 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.137 -3.330 -11.148 1.00 18.17 O ATOM 0 H GLU A 18 8.331 -2.592 -7.271 1.00 7.29 H new ATOM 0 HA GLU A 18 11.000 -3.653 -6.726 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.111 -1.438 -8.646 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.752 -2.028 -8.472 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.894 -4.332 -9.231 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.367 -3.559 -9.609 1.00 12.65 H new ATOM 302 N PRO A 19 11.727 -1.050 -5.799 1.00 7.24 N ATOM 303 CA PRO A 19 11.858 0.126 -4.982 1.00 7.07 C ATOM 304 C PRO A 19 11.412 1.417 -5.560 1.00 6.65 C ATOM 305 O PRO A 19 11.124 2.448 -4.873 1.00 6.37 O ATOM 306 CB PRO A 19 13.381 0.267 -4.810 1.00 7.61 C ATOM 307 CG PRO A 19 13.825 -1.213 -4.721 1.00 8.16 C ATOM 308 CD PRO A 19 12.935 -1.898 -5.721 1.00 7.49 C ATOM 0 HA PRO A 19 11.235 -0.024 -4.100 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.842 0.783 -5.652 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.641 0.827 -3.912 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.879 -1.333 -4.971 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.688 -1.615 -3.717 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.423 -1.981 -6.692 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.687 -2.910 -5.401 1.00 7.49 H new ATOM 316 N SER A 20 11.369 1.525 -6.902 1.00 6.80 N ATOM 317 CA SER A 20 11.011 2.724 -7.595 1.00 6.28 C ATOM 318 C SER A 20 9.538 2.703 -8.060 1.00 8.45 C ATOM 319 O SER A 20 9.133 3.601 -8.800 1.00 7.26 O ATOM 320 CB SER A 20 11.934 2.931 -8.828 1.00 8.57 C ATOM 321 OG SER A 20 13.284 3.048 -8.364 1.00 11.13 O ATOM 0 H SER A 20 11.592 0.749 -7.526 1.00 6.80 H new ATOM 0 HA SER A 20 11.137 3.549 -6.894 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.841 2.092 -9.517 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.641 3.827 -9.375 1.00 8.57 H new ATOM 0 HG SER A 20 13.883 3.178 -9.129 1.00 11.13 H new ATOM 327 N ASP A 21 8.775 1.679 -7.652 1.00 7.50 N ATOM 328 CA ASP A 21 7.320 1.643 -7.745 1.00 7.70 C ATOM 329 C ASP A 21 6.631 2.731 -6.867 1.00 7.08 C ATOM 330 O ASP A 21 7.130 2.989 -5.736 1.00 8.11 O ATOM 331 CB ASP A 21 6.736 0.230 -7.443 1.00 11.00 C ATOM 332 CG ASP A 21 7.082 -0.797 -8.541 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.316 -0.345 -9.700 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.039 -2.004 -8.276 1.00 18.03 O ATOM 0 H ASP A 21 9.169 0.834 -7.238 1.00 7.50 H new ATOM 0 HA ASP A 21 7.091 1.876 -8.785 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.121 -0.122 -6.486 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.653 0.301 -7.344 1.00 11.00 H new ATOM 339 N THR A 22 5.515 3.413 -7.339 1.00 5.37 N ATOM 340 CA THR A 22 4.788 4.443 -6.535 1.00 6.01 C ATOM 341 C THR A 22 3.700 3.841 -5.656 1.00 8.01 C ATOM 342 O THR A 22 3.294 2.721 -5.922 1.00 8.11 O ATOM 343 CB THR A 22 4.099 5.481 -7.398 1.00 8.92 C ATOM 344 OG1 THR A 22 3.341 4.989 -8.528 1.00 10.22 O ATOM 345 CG2 THR A 22 5.232 6.285 -8.076 1.00 9.65 C ATOM 0 H THR A 22 5.116 3.258 -8.265 1.00 5.37 H new ATOM 0 HA THR A 22 5.570 4.900 -5.928 1.00 6.01 H new ATOM 0 HB THR A 22 3.415 6.001 -6.728 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.942 5.744 -9.008 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.800 7.054 -8.716 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.852 6.755 -7.312 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.844 5.614 -8.678 1.00 9.65 H new ATOM 353 N ILE A 23 3.185 4.577 -4.653 1.00 8.32 N ATOM 354 CA ILE A 23 2.143 4.041 -3.765 1.00 9.92 C ATOM 355 C ILE A 23 0.877 3.767 -4.566 1.00 10.01 C ATOM 356 O ILE A 23 0.194 2.741 -4.409 1.00 8.71 O ATOM 357 CB ILE A 23 1.972 5.000 -2.622 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.264 5.163 -1.762 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.730 4.611 -1.791 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.860 3.951 -1.075 1.00 12.30 C ATOM 0 H ILE A 23 3.471 5.533 -4.441 1.00 8.32 H new ATOM 0 HA ILE A 23 2.419 3.079 -3.334 1.00 9.92 H new ATOM 0 HB ILE A 23 1.798 5.993 -3.037 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.035 5.585 -2.407 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.052 5.904 -0.991 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.612 5.311 -0.964 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.157 4.645 -2.424 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.857 3.602 -1.398 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.752 4.248 -0.523 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.130 3.528 -0.385 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.128 3.204 -1.822 1.00 12.30 H new ATOM 372 N GLU A 24 0.609 4.668 -5.565 1.00 9.54 N ATOM 373 CA GLU A 24 -0.429 4.488 -6.561 1.00 11.81 C ATOM 374 C GLU A 24 -0.355 3.226 -7.456 1.00 11.14 C ATOM 375 O GLU A 24 -1.379 2.650 -7.813 1.00 10.62 O ATOM 376 CB GLU A 24 -0.487 5.776 -7.465 1.00 19.24 C ATOM 377 CG GLU A 24 -1.642 5.766 -8.501 1.00 27.76 C ATOM 378 CD GLU A 24 -1.508 6.951 -9.360 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.591 8.100 -8.779 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.424 6.850 -10.627 1.00 36.51 O ATOM 0 H GLU A 24 1.129 5.538 -5.677 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.337 4.329 -5.980 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.593 6.652 -6.825 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.461 5.880 -7.993 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.605 4.857 -9.101 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.606 5.773 -7.993 1.00 27.76 H new ATOM 387 N ASN A 25 0.907 2.781 -7.850 1.00 9.43 N ATOM 388 CA ASN A 25 1.169 1.544 -8.568 1.00 10.96 C ATOM 389 C ASN A 25 1.171 0.353 -7.572 1.00 9.68 C ATOM 390 O ASN A 25 0.819 -0.779 -7.805 1.00 9.33 O ATOM 391 CB ASN A 25 2.530 1.614 -9.214 1.00 16.78 C ATOM 392 CG ASN A 25 2.794 0.439 -10.070 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.631 -0.424 -9.764 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.104 0.325 -11.216 1.00 24.70 N ATOM 0 H ASN A 25 1.756 3.311 -7.654 1.00 9.43 H new ATOM 0 HA ASN A 25 0.396 1.405 -9.324 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.602 2.522 -9.812 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.296 1.680 -8.441 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.268 -0.470 -11.833 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.415 1.034 -11.469 1.00 24.70 H new ATOM 401 N VAL A 26 1.596 0.507 -6.260 1.00 6.52 N ATOM 402 CA VAL A 26 1.459 -0.551 -5.234 1.00 5.53 C ATOM 403 C VAL A 26 0.023 -0.813 -4.890 1.00 4.42 C ATOM 404 O VAL A 26 -0.378 -1.994 -4.853 1.00 3.40 O ATOM 405 CB VAL A 26 2.271 -0.286 -3.998 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.953 -1.356 -2.943 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.701 -0.277 -4.543 1.00 8.12 C ATOM 0 H VAL A 26 2.032 1.361 -5.912 1.00 6.52 H new ATOM 0 HA VAL A 26 1.868 -1.454 -5.686 1.00 5.53 H new ATOM 0 HB VAL A 26 2.070 0.646 -3.469 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.540 -1.167 -2.045 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.892 -1.320 -2.697 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.201 -2.341 -3.338 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.400 -0.091 -3.728 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.923 -1.242 -4.998 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.800 0.508 -5.292 1.00 8.12 H new ATOM 417 N LYS A 27 -0.822 0.231 -4.727 1.00 2.64 N ATOM 418 CA LYS A 27 -2.310 0.113 -4.630 1.00 4.14 C ATOM 419 C LYS A 27 -2.942 -0.551 -5.877 1.00 5.58 C ATOM 420 O LYS A 27 -3.895 -1.313 -5.742 1.00 4.11 O ATOM 421 CB LYS A 27 -2.960 1.495 -4.354 1.00 3.97 C ATOM 422 CG LYS A 27 -2.659 2.051 -3.006 1.00 7.45 C ATOM 423 CD LYS A 27 -3.506 3.310 -2.778 1.00 9.02 C ATOM 424 CE LYS A 27 -3.164 4.514 -3.584 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.214 5.563 -3.317 1.00 15.47 N ATOM 0 H LYS A 27 -0.494 1.194 -4.657 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.514 -0.546 -3.786 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.620 2.202 -5.111 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.041 1.405 -4.465 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.875 1.309 -2.237 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.599 2.292 -2.928 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.548 3.057 -2.974 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.436 3.578 -1.724 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.176 4.886 -3.314 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.133 4.267 -4.645 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.131 6.324 -4.021 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.159 5.133 -3.381 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.077 5.957 -2.364 1.00 15.47 H new ATOM 439 N ALA A 28 -2.443 -0.357 -7.088 1.00 6.61 N ATOM 440 CA ALA A 28 -2.812 -1.145 -8.283 1.00 7.74 C ATOM 441 C ALA A 28 -2.537 -2.637 -8.115 1.00 9.17 C ATOM 442 O ALA A 28 -3.357 -3.431 -8.520 1.00 11.45 O ATOM 443 CB ALA A 28 -2.295 -0.561 -9.599 1.00 7.68 C ATOM 0 H ALA A 28 -1.752 0.367 -7.286 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.895 -1.057 -8.365 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.608 -1.197 -10.427 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.702 0.441 -9.737 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.207 -0.510 -9.572 1.00 7.68 H new ATOM 449 N LYS A 29 -1.422 -3.103 -7.492 1.00 8.96 N ATOM 450 CA LYS A 29 -1.131 -4.503 -7.164 1.00 7.90 C ATOM 451 C LYS A 29 -2.121 -5.087 -6.149 1.00 6.92 C ATOM 452 O LYS A 29 -2.577 -6.197 -6.282 1.00 6.87 O ATOM 453 CB LYS A 29 0.359 -4.621 -6.799 1.00 10.28 C ATOM 454 CG LYS A 29 1.278 -4.066 -7.899 1.00 14.94 C ATOM 455 CD LYS A 29 2.741 -4.013 -7.456 1.00 19.69 C ATOM 456 CE LYS A 29 3.729 -3.355 -8.409 1.00 22.63 C ATOM 457 NZ LYS A 29 3.529 -3.790 -9.841 1.00 24.98 N ATOM 0 H LYS A 29 -0.675 -2.475 -7.196 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.291 -5.142 -8.033 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.546 -4.085 -5.869 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.604 -5.668 -6.618 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.192 -4.688 -8.790 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.947 -3.065 -8.176 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.787 -3.486 -6.503 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.076 -5.034 -7.272 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.625 -2.272 -8.344 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.745 -3.597 -8.098 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.258 -3.354 -10.441 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.604 -4.825 -9.903 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.588 -3.491 -10.166 1.00 24.98 H new ATOM 471 N ILE A 30 -2.605 -4.299 -5.131 1.00 4.57 N ATOM 472 CA ILE A 30 -3.723 -4.680 -4.336 1.00 5.58 C ATOM 473 C ILE A 30 -5.053 -4.816 -5.077 1.00 7.26 C ATOM 474 O ILE A 30 -5.822 -5.731 -4.758 1.00 9.46 O ATOM 475 CB ILE A 30 -3.876 -3.782 -3.102 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.575 -3.853 -2.254 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.100 -4.336 -2.273 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.625 -3.192 -0.881 1.00 2.00 C ATOM 0 H ILE A 30 -2.202 -3.397 -4.876 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.478 -5.694 -4.019 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.047 -2.743 -3.384 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.312 -4.902 -2.119 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.769 -3.393 -2.826 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.244 -3.723 -1.383 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.000 -4.302 -2.887 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.902 -5.366 -1.976 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.661 -3.307 -0.386 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.849 -2.132 -0.996 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.401 -3.664 -0.278 1.00 2.00 H new ATOM 490 N GLN A 31 -5.315 -3.929 -6.081 1.00 7.06 N ATOM 491 CA GLN A 31 -6.474 -4.126 -6.890 1.00 8.67 C ATOM 492 C GLN A 31 -6.450 -5.428 -7.732 1.00 10.90 C ATOM 493 O GLN A 31 -7.399 -6.223 -7.808 1.00 9.63 O ATOM 494 CB GLN A 31 -6.576 -2.882 -7.783 1.00 9.12 C ATOM 495 CG GLN A 31 -7.717 -3.087 -8.880 1.00 10.76 C ATOM 496 CD GLN A 31 -7.672 -2.026 -9.991 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.717 -1.888 -10.736 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.769 -1.207 -10.101 1.00 14.76 N ATOM 0 H GLN A 31 -4.745 -3.116 -6.314 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.347 -4.251 -6.250 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.799 -2.005 -7.175 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.620 -2.696 -8.272 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.614 -4.077 -9.325 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.692 -3.056 -8.394 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.563 -1.331 -9.473 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.790 -0.475 -10.811 1.00 14.76 H new ATOM 507 N ASP A 32 -5.340 -5.661 -8.406 1.00 10.93 N ATOM 508 CA ASP A 32 -5.055 -6.879 -9.125 1.00 14.01 C ATOM 509 C ASP A 32 -5.151 -8.144 -8.240 1.00 14.04 C ATOM 510 O ASP A 32 -5.612 -9.172 -8.691 1.00 13.39 O ATOM 511 CB ASP A 32 -3.675 -6.694 -9.753 1.00 18.01 C ATOM 512 CG ASP A 32 -3.261 -7.736 -10.725 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.013 -8.124 -11.608 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.086 -8.180 -10.590 1.00 25.17 O ATOM 0 H ASP A 32 -4.585 -4.978 -8.467 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.807 -7.051 -9.895 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.652 -5.727 -10.255 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.935 -6.656 -8.953 1.00 18.01 H new ATOM 519 N LYS A 33 -4.697 -8.099 -6.967 1.00 14.22 N ATOM 520 CA LYS A 33 -4.980 -9.077 -5.952 1.00 14.00 C ATOM 521 C LYS A 33 -6.473 -9.186 -5.532 1.00 12.37 C ATOM 522 O LYS A 33 -6.980 -10.274 -5.496 1.00 12.17 O ATOM 523 CB LYS A 33 -4.214 -8.750 -4.589 1.00 18.62 C ATOM 524 CG LYS A 33 -2.702 -8.868 -4.807 1.00 24.00 C ATOM 525 CD LYS A 33 -2.259 -10.326 -4.732 1.00 27.61 C ATOM 526 CE LYS A 33 -0.732 -10.341 -4.756 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.283 -11.688 -4.515 1.00 30.06 N ATOM 0 H LYS A 33 -4.103 -7.342 -6.630 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.657 -10.004 -6.427 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.465 -7.745 -4.251 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.533 -9.438 -3.807 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.436 -8.451 -5.778 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.174 -8.283 -4.054 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.633 -10.795 -3.822 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.662 -10.893 -5.571 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.365 -9.986 -5.719 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.335 -9.668 -3.996 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.461 -11.681 -3.788 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.082 -12.267 -4.187 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.097 -12.090 -5.396 1.00 30.06 H new ATOM 541 N GLU A 34 -7.156 -8.067 -5.222 1.00 10.11 N ATOM 542 CA GLU A 34 -8.367 -8.094 -4.457 1.00 10.07 C ATOM 543 C GLU A 34 -9.589 -7.410 -5.101 1.00 9.32 C ATOM 544 O GLU A 34 -10.672 -7.488 -4.542 1.00 11.61 O ATOM 545 CB GLU A 34 -8.087 -7.446 -3.014 1.00 14.77 C ATOM 546 CG GLU A 34 -7.123 -8.238 -2.114 1.00 18.75 C ATOM 547 CD GLU A 34 -7.984 -9.312 -1.389 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.974 -8.863 -0.731 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.765 -10.536 -1.480 1.00 25.19 O ATOM 0 H GLU A 34 -6.864 -7.132 -5.506 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.643 -9.147 -4.392 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.684 -6.443 -3.156 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.038 -7.337 -2.492 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.335 -8.705 -2.705 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.635 -7.581 -1.394 1.00 18.75 H new ATOM 556 N GLY A 35 -9.482 -6.694 -6.237 1.00 7.22 N ATOM 557 CA GLY A 35 -10.506 -5.825 -6.698 1.00 6.29 C ATOM 558 C GLY A 35 -11.084 -4.821 -5.790 1.00 6.93 C ATOM 559 O GLY A 35 -12.249 -4.624 -5.573 1.00 7.41 O ATOM 0 H GLY A 35 -8.663 -6.724 -6.844 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.113 -5.291 -7.563 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.325 -6.450 -7.054 1.00 6.29 H new ATOM 563 N ILE A 36 -10.163 -3.944 -5.340 1.00 5.86 N ATOM 564 CA ILE A 36 -10.504 -2.721 -4.573 1.00 6.07 C ATOM 565 C ILE A 36 -9.969 -1.454 -5.331 1.00 6.36 C ATOM 566 O ILE A 36 -8.769 -1.428 -5.580 1.00 6.18 O ATOM 567 CB ILE A 36 -9.918 -2.764 -3.141 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.419 -4.062 -2.369 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.180 -1.468 -2.310 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.763 -4.162 -1.042 1.00 9.49 C ATOM 0 H ILE A 36 -9.162 -4.061 -5.496 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.589 -2.669 -4.488 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.835 -2.817 -3.257 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.501 -4.023 -2.244 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.198 -4.951 -2.959 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.739 -1.576 -1.319 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.730 -0.614 -2.816 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.254 -1.308 -2.214 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.117 -5.055 -0.527 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.683 -4.223 -1.174 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.007 -3.281 -0.448 1.00 9.49 H new ATOM 582 N PRO A 37 -10.762 -0.431 -5.694 1.00 8.65 N ATOM 583 CA PRO A 37 -10.312 0.767 -6.463 1.00 9.18 C ATOM 584 C PRO A 37 -9.094 1.486 -5.842 1.00 9.85 C ATOM 585 O PRO A 37 -9.200 1.763 -4.624 1.00 8.51 O ATOM 586 CB PRO A 37 -11.582 1.658 -6.603 1.00 11.42 C ATOM 587 CG PRO A 37 -12.726 0.586 -6.611 1.00 9.27 C ATOM 588 CD PRO A 37 -12.224 -0.539 -5.709 1.00 8.33 C ATOM 0 HA PRO A 37 -9.923 0.489 -7.443 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.684 2.358 -5.774 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.568 2.248 -7.519 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.660 1.004 -6.237 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.920 0.225 -7.621 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.632 -0.442 -4.703 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.538 -1.511 -6.088 1.00 8.33 H new ATOM 596 N PRO A 38 -8.008 1.811 -6.487 1.00 8.71 N ATOM 597 CA PRO A 38 -6.966 2.512 -5.773 1.00 9.08 C ATOM 598 C PRO A 38 -7.289 3.864 -5.081 1.00 9.28 C ATOM 599 O PRO A 38 -6.601 4.342 -4.163 1.00 6.50 O ATOM 600 CB PRO A 38 -5.972 2.747 -6.916 1.00 10.31 C ATOM 601 CG PRO A 38 -5.984 1.464 -7.732 1.00 10.81 C ATOM 602 CD PRO A 38 -7.474 1.161 -7.703 1.00 12.00 C ATOM 0 HA PRO A 38 -6.660 1.925 -4.907 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.268 3.602 -7.524 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.974 2.959 -6.532 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.606 1.608 -8.744 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.387 0.673 -7.278 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.966 1.545 -8.597 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.651 0.086 -7.679 1.00 12.00 H new ATOM 610 N ASP A 39 -8.303 4.588 -5.577 1.00 11.20 N ATOM 611 CA ASP A 39 -8.585 5.939 -4.993 1.00 14.96 C ATOM 612 C ASP A 39 -9.332 5.774 -3.684 1.00 13.99 C ATOM 613 O ASP A 39 -9.202 6.508 -2.725 1.00 13.75 O ATOM 614 CB ASP A 39 -9.384 6.903 -5.970 1.00 24.16 C ATOM 615 CG ASP A 39 -8.726 7.168 -7.298 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.586 7.700 -7.248 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.326 6.857 -8.353 1.00 35.55 O ATOM 0 H ASP A 39 -8.919 4.298 -6.337 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.622 6.420 -4.824 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.369 6.473 -6.151 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.540 7.856 -5.465 1.00 24.16 H new ATOM 622 N GLN A 40 -10.012 4.629 -3.465 1.00 11.60 N ATOM 623 CA GLN A 40 -10.566 4.182 -2.181 1.00 10.76 C ATOM 624 C GLN A 40 -9.518 3.708 -1.186 1.00 8.01 C ATOM 625 O GLN A 40 -9.587 3.907 0.033 1.00 8.96 O ATOM 626 CB GLN A 40 -11.574 3.036 -2.451 1.00 11.14 C ATOM 627 CG GLN A 40 -12.632 2.909 -1.336 1.00 14.85 C ATOM 628 CD GLN A 40 -13.678 1.736 -1.482 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.934 1.102 -2.468 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.354 1.492 -0.313 1.00 18.16 N ATOM 0 H GLN A 40 -10.195 3.964 -4.217 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.048 5.046 -1.724 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.073 3.212 -3.404 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.033 2.094 -2.544 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.112 2.785 -0.386 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.181 3.849 -1.279 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.136 2.032 0.525 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.075 0.771 -0.282 1.00 18.16 H new ATOM 639 N GLN A 41 -8.471 3.003 -1.646 1.00 6.52 N ATOM 640 CA GLN A 41 -7.314 2.626 -0.849 1.00 3.87 C ATOM 641 C GLN A 41 -6.489 3.701 -0.210 1.00 4.79 C ATOM 642 O GLN A 41 -6.192 4.754 -0.773 1.00 6.34 O ATOM 643 CB GLN A 41 -6.391 1.643 -1.568 1.00 4.20 C ATOM 644 CG GLN A 41 -6.976 0.238 -1.880 1.00 3.20 C ATOM 645 CD GLN A 41 -5.923 -0.564 -2.617 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.922 -1.016 -2.027 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.170 -0.855 -3.939 1.00 7.13 N ATOM 0 H GLN A 41 -8.414 2.675 -2.610 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.824 2.153 -0.009 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.076 2.097 -2.508 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.495 1.512 -0.961 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.261 -0.268 -0.958 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.877 0.328 -2.486 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.996 -0.473 -4.400 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.527 -1.453 -4.458 1.00 7.13 H new ATOM 656 N ARG A 42 -6.109 3.460 1.061 1.00 5.73 N ATOM 657 CA ARG A 42 -5.099 4.199 1.816 1.00 6.97 C ATOM 658 C ARG A 42 -4.261 3.151 2.565 1.00 7.15 C ATOM 659 O ARG A 42 -4.720 2.202 3.183 1.00 7.33 O ATOM 660 CB ARG A 42 -5.785 5.211 2.732 1.00 13.23 C ATOM 661 CG ARG A 42 -5.775 6.597 2.099 1.00 21.27 C ATOM 662 CD ARG A 42 -6.628 7.465 2.926 1.00 26.14 C ATOM 663 NE ARG A 42 -6.520 8.896 2.394 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.020 9.980 3.015 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.701 9.937 4.134 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.746 11.156 2.475 1.00 36.39 N ATOM 0 H ARG A 42 -6.524 2.706 1.608 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.436 4.785 1.180 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.812 4.900 2.923 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.276 5.241 3.696 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.759 6.990 2.052 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.148 6.554 1.076 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.663 7.124 2.891 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.314 7.423 3.969 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.036 9.038 1.508 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.880 9.041 4.588 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.052 10.799 4.551 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.180 11.209 1.628 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.101 12.010 2.906 1.00 36.39 H new ATOM 680 N LEU A 43 -3.009 3.348 2.434 1.00 4.65 N ATOM 681 CA LEU A 43 -1.926 2.514 2.891 1.00 3.51 C ATOM 682 C LEU A 43 -1.162 3.175 3.998 1.00 5.56 C ATOM 683 O LEU A 43 -1.023 4.372 3.973 1.00 4.19 O ATOM 684 CB LEU A 43 -1.019 2.118 1.723 1.00 3.74 C ATOM 685 CG LEU A 43 -1.548 1.118 0.659 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.432 0.780 -0.381 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.854 -0.183 1.330 1.00 6.41 C ATOM 0 H LEU A 43 -2.661 4.180 1.957 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.349 1.597 3.302 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.737 3.033 1.202 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.106 1.697 2.144 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.417 1.570 0.181 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.822 0.078 -1.118 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.114 1.694 -0.883 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.419 0.332 0.132 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.227 -0.894 0.593 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.948 -0.578 1.789 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.611 -0.027 2.098 1.00 6.41 H new ATOM 699 N ILE A 44 -0.689 2.401 5.017 1.00 4.58 N ATOM 700 CA ILE A 44 -0.006 2.973 6.173 1.00 5.55 C ATOM 701 C ILE A 44 1.260 2.191 6.450 1.00 5.46 C ATOM 702 O ILE A 44 1.248 0.945 6.319 1.00 6.04 O ATOM 703 CB ILE A 44 -0.844 2.886 7.487 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.052 3.756 7.318 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.022 3.521 8.637 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.048 3.617 8.395 1.00 13.90 C ATOM 0 H ILE A 44 -0.777 1.385 5.044 1.00 4.58 H new ATOM 0 HA ILE A 44 0.176 4.018 5.921 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.122 1.856 7.709 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.733 4.797 7.265 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.527 3.519 6.366 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.532 3.479 9.575 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.954 2.965 8.740 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.245 4.560 8.394 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.891 4.279 8.199 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.399 2.586 8.435 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.592 3.883 9.349 1.00 13.90 H new ATOM 718 N PHE A 45 2.334 2.959 6.798 1.00 6.75 N ATOM 719 CA PHE A 45 3.686 2.442 7.114 1.00 4.70 C ATOM 720 C PHE A 45 4.315 3.266 8.200 1.00 6.34 C ATOM 721 O PHE A 45 4.519 4.478 8.058 1.00 5.45 O ATOM 722 CB PHE A 45 4.476 2.418 5.751 1.00 5.51 C ATOM 723 CG PHE A 45 5.835 1.760 5.956 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.869 0.397 6.134 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.986 2.507 6.127 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.076 -0.273 6.396 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.188 1.870 6.473 1.00 6.64 C ATOM 728 CZ PHE A 45 8.228 0.478 6.614 1.00 6.84 C ATOM 0 H PHE A 45 2.275 3.975 6.866 1.00 6.75 H new ATOM 0 HA PHE A 45 3.677 1.431 7.521 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.906 1.872 4.999 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.606 3.434 5.377 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.951 -0.169 6.071 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.960 3.579 5.995 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.110 -1.352 6.428 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.083 2.454 6.631 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.150 -0.012 6.891 1.00 6.84 H new ATOM 738 N ALA A 46 4.796 2.594 9.281 1.00 6.53 N ATOM 739 CA ALA A 46 5.393 3.170 10.454 1.00 7.15 C ATOM 740 C ALA A 46 4.751 4.393 11.072 1.00 9.00 C ATOM 741 O ALA A 46 5.407 5.440 11.212 1.00 11.15 O ATOM 742 CB ALA A 46 6.933 3.204 10.143 1.00 8.99 C ATOM 0 H ALA A 46 4.761 1.576 9.331 1.00 6.53 H new ATOM 0 HA ALA A 46 5.191 2.551 11.328 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.466 3.632 10.992 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.290 2.190 9.964 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.112 3.814 9.257 1.00 8.99 H new ATOM 748 N GLY A 47 3.425 4.368 11.312 1.00 9.35 N ATOM 749 CA GLY A 47 2.567 5.426 11.845 1.00 11.68 C ATOM 750 C GLY A 47 2.197 6.456 10.780 1.00 11.14 C ATOM 751 O GLY A 47 1.511 7.416 11.012 1.00 13.93 O ATOM 0 H GLY A 47 2.885 3.525 11.117 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.658 4.984 12.253 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.077 5.925 12.670 1.00 11.68 H new ATOM 755 N LYS A 48 2.619 6.340 9.513 1.00 10.47 N ATOM 756 CA LYS A 48 2.337 7.274 8.481 1.00 8.82 C ATOM 757 C LYS A 48 1.407 6.722 7.362 1.00 7.68 C ATOM 758 O LYS A 48 1.842 5.831 6.629 1.00 6.47 O ATOM 759 CB LYS A 48 3.605 7.848 7.823 1.00 9.74 C ATOM 760 CG LYS A 48 4.420 8.744 8.801 1.00 14.14 C ATOM 761 CD LYS A 48 5.384 9.692 8.100 1.00 16.32 C ATOM 762 CE LYS A 48 6.445 9.059 7.147 1.00 20.04 C ATOM 763 NZ LYS A 48 7.357 10.019 6.596 1.00 23.92 N ATOM 0 H LYS A 48 3.186 5.554 9.195 1.00 10.47 H new ATOM 0 HA LYS A 48 1.808 8.071 9.004 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.234 7.029 7.474 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.325 8.431 6.946 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.728 9.327 9.409 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.982 8.106 9.482 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.796 10.405 7.523 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.914 10.260 8.865 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.010 8.304 7.694 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.932 8.546 6.333 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.035 9.536 5.973 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.827 10.727 6.048 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.871 10.492 7.367 1.00 23.92 H new ATOM 777 N GLN A 49 0.228 7.308 7.131 1.00 8.89 N ATOM 778 CA GLN A 49 -0.472 7.314 5.880 1.00 7.18 C ATOM 779 C GLN A 49 0.373 7.689 4.605 1.00 8.23 C ATOM 780 O GLN A 49 1.031 8.700 4.624 1.00 9.70 O ATOM 781 CB GLN A 49 -1.733 8.207 6.029 1.00 11.67 C ATOM 782 CG GLN A 49 -2.655 8.116 4.798 1.00 15.82 C ATOM 783 CD GLN A 49 -3.896 9.089 4.982 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.747 8.941 5.845 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.054 10.118 4.113 1.00 20.67 N ATOM 0 H GLN A 49 -0.275 7.812 7.861 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.744 6.278 5.676 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.286 7.907 6.919 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.428 9.243 6.177 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.102 8.383 3.898 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.001 7.091 4.667 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.365 10.275 3.378 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.862 10.735 4.195 1.00 20.67 H new ATOM 794 N LEU A 50 0.347 6.797 3.570 1.00 6.51 N ATOM 795 CA LEU A 50 1.219 7.037 2.407 1.00 7.41 C ATOM 796 C LEU A 50 0.556 7.705 1.202 1.00 8.27 C ATOM 797 O LEU A 50 -0.645 7.535 1.036 1.00 8.34 O ATOM 798 CB LEU A 50 1.866 5.780 1.932 1.00 7.13 C ATOM 799 CG LEU A 50 2.533 4.916 3.046 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.957 3.578 2.509 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.675 5.797 3.771 1.00 9.11 C ATOM 0 H LEU A 50 -0.233 5.959 3.525 1.00 6.51 H new ATOM 0 HA LEU A 50 1.952 7.742 2.800 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.116 5.174 1.424 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.623 6.037 1.191 1.00 7.13 H new ATOM 0 HG LEU A 50 1.824 4.652 3.831 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.419 2.996 3.306 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.085 3.045 2.129 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.675 3.721 1.701 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.150 5.205 4.553 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.424 6.097 3.038 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.224 6.685 4.213 1.00 9.11 H new ATOM 813 N GLU A 51 1.295 8.516 0.336 1.00 9.43 N ATOM 814 CA GLU A 51 0.735 9.400 -0.674 1.00 11.90 C ATOM 815 C GLU A 51 1.013 8.879 -2.056 1.00 11.49 C ATOM 816 O GLU A 51 2.068 8.374 -2.338 1.00 9.88 O ATOM 817 CB GLU A 51 1.219 10.838 -0.498 1.00 16.56 C ATOM 818 CG GLU A 51 0.332 11.597 0.513 1.00 26.06 C ATOM 819 CD GLU A 51 0.837 12.974 0.832 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.634 13.843 -0.088 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.337 13.217 1.966 1.00 33.44 O ATOM 0 H GLU A 51 2.314 8.541 0.357 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.347 9.416 -0.540 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.253 10.838 -0.153 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.203 11.352 -1.459 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.679 11.672 0.113 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.268 11.019 1.435 1.00 26.06 H new ATOM 828 N ASP A 52 0.027 8.897 -2.951 1.00 12.71 N ATOM 829 CA ASP A 52 -0.008 8.408 -4.308 1.00 16.56 C ATOM 830 C ASP A 52 1.168 8.697 -5.235 1.00 15.83 C ATOM 831 O ASP A 52 1.507 7.774 -5.970 1.00 17.21 O ATOM 832 CB ASP A 52 -1.338 8.853 -4.893 1.00 21.05 C ATOM 833 CG ASP A 52 -2.455 8.193 -4.268 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.693 8.271 -3.022 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.295 7.627 -5.037 1.00 28.37 O ATOM 0 H ASP A 52 -0.872 9.308 -2.700 1.00 12.71 H new ATOM 0 HA ASP A 52 0.097 7.325 -4.239 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.443 9.931 -4.774 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.349 8.648 -5.963 1.00 21.05 H new ATOM 840 N GLY A 53 1.687 9.926 -5.293 1.00 15.00 N ATOM 841 CA GLY A 53 2.805 10.417 -6.133 1.00 11.77 C ATOM 842 C GLY A 53 4.201 10.052 -5.593 1.00 11.10 C ATOM 843 O GLY A 53 5.231 10.506 -6.135 1.00 11.25 O ATOM 0 H GLY A 53 1.311 10.673 -4.708 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.697 10.009 -7.138 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.732 11.501 -6.220 1.00 11.77 H new ATOM 847 N ARG A 54 4.218 9.353 -4.456 1.00 8.53 N ATOM 848 CA ARG A 54 5.422 8.934 -3.755 1.00 9.05 C ATOM 849 C ARG A 54 5.792 7.433 -4.048 1.00 8.96 C ATOM 850 O ARG A 54 5.009 6.645 -4.507 1.00 11.60 O ATOM 851 CB ARG A 54 5.262 9.186 -2.227 1.00 7.97 C ATOM 852 CG ARG A 54 5.420 10.634 -1.777 1.00 9.62 C ATOM 853 CD ARG A 54 6.848 11.181 -1.755 1.00 12.20 C ATOM 854 NE ARG A 54 6.816 12.656 -1.500 1.00 18.23 N ATOM 855 CZ ARG A 54 7.686 13.332 -0.763 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.693 12.771 -0.089 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.550 14.696 -0.653 1.00 23.38 N ATOM 0 H ARG A 54 3.363 9.056 -3.987 1.00 8.53 H new ATOM 0 HA ARG A 54 6.251 9.535 -4.129 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.277 8.835 -1.920 1.00 7.97 H new ATOM 0 HB3 ARG A 54 5.996 8.578 -1.698 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.821 11.265 -2.434 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.001 10.729 -0.775 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.428 10.680 -0.980 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.341 10.976 -2.705 1.00 12.20 H new ATOM 0 HE ARG A 54 6.059 13.187 -1.931 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.829 11.761 -0.123 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.326 13.353 0.459 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.788 15.173 -1.135 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.211 15.231 -0.090 1.00 23.38 H new ATOM 871 N THR A 55 7.071 7.090 -3.784 1.00 9.05 N ATOM 872 CA THR A 55 7.678 5.840 -4.149 1.00 9.03 C ATOM 873 C THR A 55 8.005 5.094 -2.865 1.00 8.15 C ATOM 874 O THR A 55 7.975 5.539 -1.726 1.00 5.91 O ATOM 875 CB THR A 55 8.991 5.968 -4.904 1.00 11.15 C ATOM 876 OG1 THR A 55 9.739 6.993 -4.394 1.00 11.95 O ATOM 877 CG2 THR A 55 8.693 6.177 -6.439 1.00 11.71 C ATOM 0 H THR A 55 7.712 7.713 -3.293 1.00 9.05 H new ATOM 0 HA THR A 55 6.965 5.337 -4.802 1.00 9.03 H new ATOM 0 HB THR A 55 9.571 5.053 -4.785 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.582 7.061 -4.890 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.633 6.269 -6.983 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.135 5.322 -6.821 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.105 7.084 -6.575 1.00 11.71 H new ATOM 885 N LEU A 56 8.296 3.806 -3.060 1.00 6.91 N ATOM 886 CA LEU A 56 8.649 2.889 -1.966 1.00 8.29 C ATOM 887 C LEU A 56 9.944 3.235 -1.328 1.00 8.05 C ATOM 888 O LEU A 56 10.176 3.211 -0.111 1.00 10.17 O ATOM 889 CB LEU A 56 8.656 1.396 -2.386 1.00 6.60 C ATOM 890 CG LEU A 56 7.266 0.774 -2.710 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.377 -0.553 -3.384 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.399 0.636 -1.441 1.00 8.64 C ATOM 0 H LEU A 56 8.294 3.366 -3.980 1.00 6.91 H new ATOM 0 HA LEU A 56 7.852 3.022 -1.234 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.294 1.288 -3.263 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.114 0.816 -1.585 1.00 6.60 H new ATOM 0 HG LEU A 56 6.782 1.465 -3.401 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.379 -0.942 -3.587 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.921 -0.440 -4.322 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.912 -1.247 -2.736 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.436 0.199 -1.704 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.906 -0.008 -0.722 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.242 1.620 -0.999 1.00 8.64 H new ATOM 904 N SER A 57 10.954 3.635 -2.155 1.00 8.92 N ATOM 905 CA SER A 57 12.274 4.202 -1.768 1.00 9.00 C ATOM 906 C SER A 57 12.213 5.439 -0.953 1.00 9.44 C ATOM 907 O SER A 57 12.973 5.626 -0.027 1.00 10.91 O ATOM 908 CB SER A 57 13.261 4.424 -2.902 1.00 10.32 C ATOM 909 OG SER A 57 12.925 5.447 -3.820 1.00 13.59 O ATOM 0 H SER A 57 10.859 3.565 -3.168 1.00 8.92 H new ATOM 0 HA SER A 57 12.652 3.389 -1.149 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.235 4.655 -2.471 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.369 3.489 -3.452 1.00 10.32 H new ATOM 0 HG SER A 57 13.621 5.511 -4.507 1.00 13.59 H new ATOM 915 N ASP A 58 11.255 6.343 -1.211 1.00 9.11 N ATOM 916 CA ASP A 58 11.060 7.591 -0.402 1.00 7.91 C ATOM 917 C ASP A 58 10.707 7.416 1.064 1.00 9.12 C ATOM 918 O ASP A 58 11.067 8.145 1.985 1.00 8.61 O ATOM 919 CB ASP A 58 9.950 8.464 -1.190 1.00 8.41 C ATOM 920 CG ASP A 58 10.113 9.862 -0.728 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.542 10.305 0.278 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.860 10.567 -1.430 1.00 10.05 O ATOM 0 H ASP A 58 10.590 6.245 -1.978 1.00 9.11 H new ATOM 0 HA ASP A 58 12.026 8.090 -0.327 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.093 8.392 -2.268 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.945 8.099 -0.977 1.00 8.41 H new ATOM 927 N TYR A 59 9.903 6.427 1.332 1.00 7.97 N ATOM 928 CA TYR A 59 9.526 6.070 2.691 1.00 8.45 C ATOM 929 C TYR A 59 10.459 5.077 3.292 1.00 10.98 C ATOM 930 O TYR A 59 10.225 4.675 4.454 1.00 12.95 O ATOM 931 CB TYR A 59 8.091 5.520 2.751 1.00 7.94 C ATOM 932 CG TYR A 59 7.093 6.571 2.276 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.733 7.581 3.145 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.443 6.377 1.037 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.716 8.445 2.732 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.392 7.228 0.646 1.00 6.52 C ATOM 937 CZ TYR A 59 5.050 8.246 1.538 1.00 6.76 C ATOM 938 OH TYR A 59 3.920 9.072 1.158 1.00 7.63 O ATOM 0 H TYR A 59 9.482 5.835 0.616 1.00 7.97 H new ATOM 0 HA TYR A 59 9.582 6.991 3.272 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.011 4.628 2.130 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.853 5.220 3.772 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.217 7.698 4.103 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.754 5.572 0.387 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.446 9.283 3.357 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.877 7.100 -0.295 1.00 6.52 H new ATOM 0 HH TYR A 59 4.203 10.009 1.105 1.00 7.63 H new ATOM 948 N ASN A 60 11.537 4.611 2.594 1.00 12.38 N ATOM 949 CA ASN A 60 12.450 3.578 3.044 1.00 13.94 C ATOM 950 C ASN A 60 11.677 2.310 3.329 1.00 14.16 C ATOM 951 O ASN A 60 11.953 1.582 4.261 1.00 14.26 O ATOM 952 CB ASN A 60 13.277 3.985 4.289 1.00 19.23 C ATOM 953 CG ASN A 60 13.919 5.391 4.026 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.616 6.388 4.717 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.779 5.431 2.999 1.00 24.09 N ATOM 0 H ASN A 60 11.781 4.974 1.672 1.00 12.38 H new ATOM 0 HA ASN A 60 13.167 3.417 2.239 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.639 4.020 5.172 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.053 3.246 4.486 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.227 6.311 2.743 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.985 4.582 2.473 1.00 24.09 H new ATOM 962 N ILE A 61 10.757 1.921 2.372 1.00 11.08 N ATOM 963 CA ILE A 61 10.189 0.615 2.430 1.00 11.78 C ATOM 964 C ILE A 61 10.992 -0.374 1.661 1.00 13.74 C ATOM 965 O ILE A 61 11.049 -0.413 0.450 1.00 14.60 O ATOM 966 CB ILE A 61 8.768 0.648 1.872 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.871 1.675 2.655 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.158 -0.770 1.816 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.538 2.045 1.929 1.00 11.42 C ATOM 0 H ILE A 61 10.435 2.504 1.599 1.00 11.08 H new ATOM 0 HA ILE A 61 10.180 0.306 3.475 1.00 11.78 H new ATOM 0 HB ILE A 61 8.811 1.004 0.843 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.635 1.261 3.635 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.445 2.586 2.824 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.146 -0.715 1.415 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.769 -1.404 1.174 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.128 -1.193 2.820 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.979 2.758 2.536 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.763 2.491 0.960 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.941 1.145 1.784 1.00 11.42 H new ATOM 981 N GLN A 62 11.622 -1.342 2.349 1.00 13.97 N ATOM 982 CA GLN A 62 12.539 -2.242 1.713 1.00 15.52 C ATOM 983 C GLN A 62 11.973 -3.659 1.842 1.00 13.94 C ATOM 984 O GLN A 62 10.876 -3.875 2.364 1.00 12.15 O ATOM 985 CB GLN A 62 13.839 -2.077 2.418 1.00 19.53 C ATOM 986 CG GLN A 62 14.457 -0.648 2.079 1.00 26.38 C ATOM 987 CD GLN A 62 15.603 -0.226 2.988 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.792 -0.161 2.651 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.271 0.120 4.298 1.00 32.71 N ATOM 0 H GLN A 62 11.498 -1.504 3.348 1.00 13.97 H new ATOM 0 HA GLN A 62 12.683 -2.044 0.651 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.695 -2.176 3.494 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.530 -2.864 2.115 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.811 -0.654 1.048 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.666 0.100 2.140 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.300 0.077 4.606 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.000 0.416 4.947 1.00 32.71 H new ATOM 998 N LYS A 63 12.720 -4.665 1.317 1.00 11.73 N ATOM 999 CA LYS A 63 12.218 -6.002 1.223 1.00 11.97 C ATOM 1000 C LYS A 63 11.823 -6.628 2.641 1.00 10.41 C ATOM 1001 O LYS A 63 12.387 -6.298 3.669 1.00 9.59 O ATOM 1002 CB LYS A 63 13.293 -6.903 0.516 1.00 13.73 C ATOM 1003 CG LYS A 63 14.591 -7.098 1.306 1.00 16.98 C ATOM 1004 CD LYS A 63 15.579 -8.072 0.660 1.00 20.19 C ATOM 1005 CE LYS A 63 16.861 -8.402 1.526 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.695 -9.286 0.821 1.00 25.97 N ATOM 0 H LYS A 63 13.668 -4.545 0.961 1.00 11.73 H new ATOM 0 HA LYS A 63 11.299 -5.966 0.638 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.854 -7.881 0.320 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.536 -6.463 -0.451 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.078 -6.131 1.427 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.344 -7.458 2.305 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.057 -9.004 0.443 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.902 -7.657 -0.295 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.401 -7.484 1.758 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.565 -8.846 2.476 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.536 -9.500 1.393 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.178 -10.166 0.622 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.989 -8.847 -0.075 1.00 25.97 H new ATOM 1020 N GLU A 64 10.741 -7.445 2.709 1.00 10.04 N ATOM 1021 CA GLU A 64 10.119 -8.008 3.863 1.00 10.94 C ATOM 1022 C GLU A 64 9.626 -6.939 4.842 1.00 9.74 C ATOM 1023 O GLU A 64 9.698 -7.152 6.045 1.00 9.42 O ATOM 1024 CB GLU A 64 10.872 -9.134 4.474 1.00 18.31 C ATOM 1025 CG GLU A 64 10.847 -10.352 3.552 1.00 24.16 C ATOM 1026 CD GLU A 64 11.872 -11.384 3.929 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.973 -11.779 5.122 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.486 -11.948 3.003 1.00 31.72 O ATOM 0 H GLU A 64 10.261 -7.734 1.857 1.00 10.04 H new ATOM 0 HA GLU A 64 9.212 -8.498 3.510 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.903 -8.832 4.661 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.435 -9.391 5.439 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.855 -10.803 3.580 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.022 -10.030 2.526 1.00 24.16 H new ATOM 1035 N SER A 65 9.043 -5.787 4.318 1.00 6.85 N ATOM 1036 CA SER A 65 8.317 -4.852 5.177 1.00 6.90 C ATOM 1037 C SER A 65 6.894 -5.314 5.442 1.00 4.72 C ATOM 1038 O SER A 65 6.329 -6.105 4.684 1.00 3.91 O ATOM 1039 CB SER A 65 8.346 -3.431 4.587 1.00 7.28 C ATOM 1040 OG SER A 65 9.688 -2.840 4.521 1.00 10.56 O ATOM 0 H SER A 65 9.079 -5.522 3.334 1.00 6.85 H new ATOM 0 HA SER A 65 8.827 -4.828 6.140 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.922 -3.457 3.583 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.705 -2.786 5.188 1.00 7.28 H new ATOM 0 HG SER A 65 10.085 -3.027 3.645 1.00 10.56 H new ATOM 1046 N THR A 66 6.326 -4.744 6.489 1.00 4.48 N ATOM 1047 CA THR A 66 4.978 -5.001 6.981 1.00 3.80 C ATOM 1048 C THR A 66 4.184 -3.711 6.901 1.00 4.60 C ATOM 1049 O THR A 66 4.516 -2.718 7.561 1.00 5.33 O ATOM 1050 CB THR A 66 4.938 -5.503 8.379 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.737 -6.662 8.587 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.484 -5.997 8.563 1.00 3.40 C ATOM 0 H THR A 66 6.817 -4.050 7.053 1.00 4.48 H new ATOM 0 HA THR A 66 4.552 -5.785 6.355 1.00 3.80 H new ATOM 0 HB THR A 66 5.286 -4.715 9.047 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.670 -6.942 9.524 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.358 -6.388 9.572 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.795 -5.167 8.407 1.00 3.40 H new ATOM 0 HG23 THR A 66 3.273 -6.785 7.840 1.00 3.40 H new ATOM 1060 N LEU A 67 3.210 -3.632 5.964 1.00 4.17 N ATOM 1061 CA LEU A 67 2.416 -2.442 5.672 1.00 3.85 C ATOM 1062 C LEU A 67 0.980 -2.740 6.017 1.00 3.80 C ATOM 1063 O LEU A 67 0.648 -3.821 6.347 1.00 5.54 O ATOM 1064 CB LEU A 67 2.476 -2.031 4.207 1.00 7.18 C ATOM 1065 CG LEU A 67 3.767 -1.517 3.641 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.834 -2.647 3.548 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.537 -0.956 2.268 1.00 11.66 C ATOM 0 H LEU A 67 2.956 -4.427 5.378 1.00 4.17 H new ATOM 0 HA LEU A 67 2.825 -1.621 6.261 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.178 -2.894 3.612 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.720 -1.261 4.052 1.00 7.18 H new ATOM 0 HG LEU A 67 4.135 -0.739 4.310 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.758 -2.242 3.134 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.027 -3.048 4.543 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.465 -3.443 2.902 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.479 -0.585 1.864 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.146 -1.737 1.617 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.819 -0.138 2.325 1.00 11.66 H new ATOM 1079 N HIS A 68 0.122 -1.718 6.038 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.226 -1.957 6.496 1.00 4.17 C ATOM 1081 C HIS A 68 -2.138 -1.234 5.535 1.00 5.32 C ATOM 1082 O HIS A 68 -1.821 -0.162 5.036 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.475 -1.395 7.935 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.289 -1.752 8.846 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.874 -1.014 8.850 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.116 -2.778 9.755 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.720 -1.670 9.730 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.138 -2.665 10.352 1.00 16.30 N ATOM 0 H HIS A 68 0.333 -0.761 5.755 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.408 -3.031 6.533 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.603 -0.313 7.896 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.397 -1.810 8.343 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.071 -0.166 8.319 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.841 -3.549 9.970 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.751 -1.390 9.887 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.275 -1.892 5.336 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.280 -1.463 4.353 1.00 3.97 C ATOM 1098 C LEU A 69 -5.485 -0.984 5.094 1.00 5.07 C ATOM 1099 O LEU A 69 -6.090 -1.745 5.871 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.561 -2.566 3.394 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.837 -2.421 2.464 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.709 -1.311 1.448 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.120 -3.758 1.740 1.00 9.96 C ATOM 0 H LEU A 69 -3.531 -2.737 5.847 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.917 -0.633 3.747 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.688 -2.683 2.752 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.664 -3.489 3.964 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.670 -2.161 3.117 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.615 -1.265 0.844 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.567 -0.361 1.963 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.852 -1.505 0.803 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.998 -3.648 1.104 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.260 -4.029 1.128 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.302 -4.540 2.478 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.952 0.294 4.864 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.173 0.797 5.359 1.00 6.26 C ATOM 1117 C VAL A 70 -7.952 1.356 4.161 1.00 9.22 C ATOM 1118 O VAL A 70 -7.344 1.674 3.175 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.061 1.930 6.435 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.362 1.367 7.711 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.298 3.060 5.827 1.00 8.54 C ATOM 0 H VAL A 70 -5.434 0.975 4.309 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.662 -0.035 5.865 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.043 2.292 6.740 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.284 2.155 8.460 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.949 0.541 8.113 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.365 1.011 7.453 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.203 3.867 6.553 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.306 2.714 5.536 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.828 3.425 4.947 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.303 1.628 4.228 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.078 2.160 3.109 1.00 16.06 C ATOM 1133 C LEU A 71 -10.667 3.494 3.485 1.00 18.09 C ATOM 1134 O LEU A 71 -11.158 3.635 4.625 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.283 1.247 2.727 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.896 -0.255 2.482 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.164 -1.056 2.222 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.975 -0.335 1.276 1.00 19.57 C ATOM 0 H LEU A 71 -9.858 1.475 5.070 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.387 2.229 2.269 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.027 1.294 3.522 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.753 1.642 1.826 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.385 -0.663 3.354 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.906 -2.101 2.051 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.824 -0.983 3.086 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.671 -0.659 1.343 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.700 -1.374 1.097 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.488 0.061 0.400 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.076 0.251 1.466 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.597 4.484 2.610 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.086 5.885 2.803 1.00 25.83 C ATOM 1152 C ARG A 72 -12.631 5.907 2.808 1.00 27.74 C ATOM 1153 O ARG A 72 -13.249 5.113 2.072 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.464 6.780 1.745 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.709 8.273 1.898 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.903 9.020 0.855 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.158 10.456 0.993 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.560 11.442 0.337 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.712 11.157 -0.636 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.827 12.727 0.658 1.00 35.02 N ATOM 0 H ARG A 72 -10.179 4.349 1.689 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.775 6.277 3.772 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.388 6.608 1.741 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.840 6.470 0.770 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.770 8.493 1.781 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.424 8.600 2.898 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.840 8.813 0.981 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.177 8.683 -0.145 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.874 10.727 1.667 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.521 10.185 -0.878 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.248 11.909 -1.145 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.488 12.939 1.405 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.367 13.485 0.153 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.198 6.848 3.572 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.605 7.200 3.593 1.00 30.76 C ATOM 1176 C LEU A 73 -14.871 8.515 2.899 1.00 32.18 C ATOM 1177 O LEU A 73 -14.119 9.447 3.018 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.070 7.363 5.032 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.005 6.089 5.905 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.510 6.388 7.340 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.761 4.865 5.359 1.00 29.11 C ATOM 0 H LEU A 73 -12.650 7.409 4.224 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.137 6.399 3.079 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.465 8.137 5.505 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.099 7.724 5.024 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.950 5.817 5.898 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.457 5.480 7.941 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.886 7.159 7.792 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.542 6.735 7.297 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.648 4.030 6.050 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.818 5.108 5.253 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.353 4.589 4.387 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.918 8.594 2.085 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.180 9.836 1.309 1.00 35.33 C ATOM 1195 C ARG A 74 -16.461 11.037 2.247 1.00 36.22 C ATOM 1196 O ARG A 74 -15.963 12.155 1.994 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.243 9.585 0.310 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.753 8.698 -0.847 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.863 8.393 -1.858 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.234 7.599 -2.981 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.584 8.116 -4.028 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.439 9.394 -4.295 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.041 7.253 -4.885 1.00 41.93 N ATOM 0 H ARG A 74 -16.592 7.843 1.936 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.287 10.119 0.751 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.093 9.107 0.798 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -17.598 10.536 -0.088 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.927 9.194 -1.357 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.364 7.762 -0.445 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.667 7.826 -1.388 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.303 9.315 -2.237 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.313 6.583 -2.935 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -16.843 10.094 -3.673 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.922 9.686 -5.124 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.132 6.250 -4.725 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.534 7.595 -5.701 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.158 10.768 3.386 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.504 11.805 4.379 1.00 36.07 C ATOM 1219 C GLY A 75 -16.461 11.914 5.509 1.00 36.16 C ATOM 1220 O GLY A 75 -16.545 12.708 6.394 1.00 36.26 O ATOM 0 H GLY A 75 -17.489 9.835 3.633 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.593 12.768 3.877 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.479 11.579 4.810 1.00 36.07 H new ATOM 1224 N GLY A 76 -15.341 11.149 5.319 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.157 11.303 6.236 1.00 36.19 C ATOM 1226 C GLY A 76 -12.979 11.906 5.476 1.00 36.20 C ATOM 1227 O GLY A 76 -13.104 13.016 4.804 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.852 11.333 5.615 1.00 0.00 O ATOM 0 H GLY A 76 -15.230 10.454 4.581 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.421 11.942 7.079 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.877 10.333 6.646 1.00 36.19 H new TER 1232 GLY A 76