USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 180:sc= 0.287 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.381 (180deg=-0.691) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.37 (180deg=2.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 145:sc= 1.23 (180deg=0.0757!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -58:sc= 1.45 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 2.26 (180deg=1.88) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.998 (180deg=0.984) USER MOD Single : A 31 GLN : amide:sc= -0.0886 K(o=-0.089,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0489) USER MOD Single : A 40 GLN : amide:sc= -0.883 K(o=-0.88,f=-4.3!) USER MOD Single : A 41 GLN : amide:sc= -0.74 K(o=-0.74,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= 1.24 (180deg=0.817) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.303 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 132:sc= 1.24 (180deg=0.173) USER MOD Single : A 65 SER OG : rot 70:sc= 0.839 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.481 K(o=0.48,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.213 -6.290 -4.588 1.00 9.67 N ATOM 2 CA MET A 1 11.490 -6.479 -3.139 1.00 10.38 C ATOM 3 C MET A 1 10.245 -6.939 -2.437 1.00 9.62 C ATOM 4 O MET A 1 9.167 -6.325 -2.478 1.00 9.62 O ATOM 5 CB MET A 1 11.898 -5.129 -2.494 1.00 13.77 C ATOM 6 CG MET A 1 12.128 -5.191 -0.956 1.00 16.29 C ATOM 7 SD MET A 1 12.593 -3.623 -0.198 1.00 17.17 S ATOM 8 CE MET A 1 11.060 -2.700 -0.556 1.00 16.11 C ATOM 0 H1 MET A 1 12.100 -6.071 -5.085 1.00 9.67 H new ATOM 0 H2 MET A 1 10.803 -7.162 -4.980 1.00 9.67 H new ATOM 0 H3 MET A 1 10.542 -5.505 -4.714 1.00 9.67 H new ATOM 0 HA MET A 1 12.290 -7.214 -3.043 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.812 -4.774 -2.971 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.123 -4.392 -2.703 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.216 -5.552 -0.481 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.907 -5.924 -0.749 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.093 -1.732 -0.057 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.968 -2.551 -1.632 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.202 -3.266 -0.193 1.00 16.11 H new ATOM 20 N GLN A 2 10.223 -8.180 -1.904 1.00 9.27 N ATOM 21 CA GLN A 2 9.040 -8.631 -1.240 1.00 9.07 C ATOM 22 C GLN A 2 8.533 -7.858 0.005 1.00 8.72 C ATOM 23 O GLN A 2 9.299 -7.568 0.935 1.00 8.22 O ATOM 24 CB GLN A 2 9.379 -10.117 -0.852 1.00 14.46 C ATOM 25 CG GLN A 2 8.314 -10.877 0.012 1.00 17.01 C ATOM 26 CD GLN A 2 8.808 -12.273 0.422 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.541 -12.386 1.425 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.517 -13.320 -0.408 1.00 19.49 N ATOM 0 H GLN A 2 10.995 -8.846 -1.931 1.00 9.27 H new ATOM 0 HA GLN A 2 8.204 -8.478 -1.923 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.538 -10.681 -1.771 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.324 -10.120 -0.309 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.087 -10.295 0.905 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.386 -10.970 -0.553 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.912 -13.177 -1.216 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.905 -14.244 -0.219 1.00 19.49 H new ATOM 37 N ILE A 3 7.269 -7.521 0.020 1.00 5.87 N ATOM 38 CA ILE A 3 6.636 -6.814 1.126 1.00 5.07 C ATOM 39 C ILE A 3 5.348 -7.509 1.456 1.00 4.01 C ATOM 40 O ILE A 3 4.894 -8.425 0.803 1.00 4.61 O ATOM 41 CB ILE A 3 6.460 -5.312 0.932 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.557 -5.102 -0.249 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.829 -4.607 0.774 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.122 -3.626 -0.288 1.00 10.83 C ATOM 0 H ILE A 3 6.630 -7.730 -0.747 1.00 5.87 H new ATOM 0 HA ILE A 3 7.321 -6.861 1.972 1.00 5.07 H new ATOM 0 HB ILE A 3 6.000 -4.862 1.812 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.075 -5.367 -1.171 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.684 -5.750 -0.176 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.674 -3.537 0.637 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.430 -4.775 1.668 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.349 -5.012 -0.094 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.465 -3.463 -1.143 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.590 -3.379 0.631 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.002 -2.990 -0.380 1.00 10.83 H new ATOM 56 N PHE A 4 4.697 -7.123 2.492 1.00 4.55 N ATOM 57 CA PHE A 4 3.414 -7.677 3.036 1.00 4.68 C ATOM 58 C PHE A 4 2.485 -6.486 3.140 1.00 5.30 C ATOM 59 O PHE A 4 2.899 -5.421 3.552 1.00 5.58 O ATOM 60 CB PHE A 4 3.651 -8.472 4.358 1.00 4.83 C ATOM 61 CG PHE A 4 4.521 -9.684 4.181 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.026 -10.931 3.605 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.841 -9.611 4.697 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.944 -12.016 3.501 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.690 -10.743 4.675 1.00 10.61 C ATOM 66 CZ PHE A 4 6.238 -11.924 4.112 1.00 8.90 C ATOM 0 H PHE A 4 5.038 -6.349 3.062 1.00 4.55 H new ATOM 0 HA PHE A 4 2.956 -8.429 2.393 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.109 -7.810 5.093 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.688 -8.782 4.764 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.004 -11.027 3.271 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.202 -8.681 5.111 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.665 -12.909 2.961 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.684 -10.686 5.095 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.875 -12.796 4.133 1.00 8.90 H new ATOM 76 N VAL A 5 1.145 -6.711 2.822 1.00 4.44 N ATOM 77 CA VAL A 5 0.051 -5.769 3.019 1.00 3.87 C ATOM 78 C VAL A 5 -1.016 -6.444 3.842 1.00 4.93 C ATOM 79 O VAL A 5 -1.492 -7.511 3.557 1.00 6.84 O ATOM 80 CB VAL A 5 -0.501 -5.073 1.813 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.746 -4.240 2.155 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.519 -4.119 1.143 1.00 9.13 C ATOM 0 H VAL A 5 0.831 -7.591 2.412 1.00 4.44 H new ATOM 0 HA VAL A 5 0.489 -4.923 3.549 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.753 -5.878 1.122 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.116 -3.751 1.254 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.521 -4.892 2.558 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.486 -3.485 2.897 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.059 -3.645 0.276 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.823 -3.353 1.856 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.394 -4.687 0.825 1.00 9.13 H new ATOM 92 N LYS A 6 -1.517 -5.866 4.954 1.00 6.04 N ATOM 93 CA LYS A 6 -2.482 -6.581 5.795 1.00 6.12 C ATOM 94 C LYS A 6 -3.814 -5.885 5.882 1.00 6.57 C ATOM 95 O LYS A 6 -3.903 -4.680 6.109 1.00 5.76 O ATOM 96 CB LYS A 6 -1.914 -6.741 7.240 1.00 7.45 C ATOM 97 CG LYS A 6 -2.687 -7.649 8.217 1.00 11.12 C ATOM 98 CD LYS A 6 -1.823 -7.959 9.480 1.00 14.54 C ATOM 99 CE LYS A 6 -1.552 -6.776 10.448 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.778 -7.197 11.601 1.00 20.55 N ATOM 0 H LYS A 6 -1.273 -4.930 5.279 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.639 -7.552 5.325 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.897 -7.124 7.160 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.847 -5.749 7.686 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.616 -7.163 8.516 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.960 -8.579 7.719 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.315 -8.753 10.042 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.863 -8.353 9.147 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.018 -5.987 9.919 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.500 -6.352 10.780 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.615 -6.382 12.226 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.299 -7.933 12.119 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.136 -7.579 11.285 1.00 20.55 H new ATOM 114 N THR A 7 -4.860 -6.665 5.585 1.00 7.41 N ATOM 115 CA THR A 7 -6.264 -6.081 5.539 1.00 7.48 C ATOM 116 C THR A 7 -6.818 -5.661 6.846 1.00 8.75 C ATOM 117 O THR A 7 -6.455 -6.123 7.924 1.00 8.58 O ATOM 118 CB THR A 7 -7.199 -7.012 4.722 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.644 -8.210 5.379 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.638 -7.329 3.332 1.00 9.17 C ATOM 0 H THR A 7 -4.800 -7.662 5.377 1.00 7.41 H new ATOM 0 HA THR A 7 -6.191 -5.129 5.013 1.00 7.48 H new ATOM 0 HB THR A 7 -8.101 -6.409 4.617 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.226 -8.717 4.775 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.329 -7.983 2.801 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.511 -6.403 2.771 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.673 -7.826 3.434 1.00 9.17 H new ATOM 128 N LEU A 8 -7.949 -4.921 6.818 1.00 9.84 N ATOM 129 CA LEU A 8 -8.679 -4.533 8.054 1.00 14.15 C ATOM 130 C LEU A 8 -9.179 -5.724 8.872 1.00 17.37 C ATOM 131 O LEU A 8 -9.113 -5.683 10.085 1.00 17.01 O ATOM 132 CB LEU A 8 -9.938 -3.691 7.755 1.00 16.63 C ATOM 133 CG LEU A 8 -9.733 -2.348 7.084 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.164 -1.698 6.791 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.886 -1.438 7.991 1.00 18.59 C ATOM 0 H LEU A 8 -8.378 -4.580 5.958 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.934 -3.968 8.614 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.599 -4.285 7.125 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.462 -3.522 8.696 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.200 -2.472 6.141 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.032 -0.730 6.308 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.735 -2.356 6.136 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.702 -1.564 7.730 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.741 -0.473 7.505 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.400 -1.292 8.941 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.917 -1.903 8.170 1.00 18.59 H new ATOM 147 N THR A 9 -9.606 -6.803 8.280 1.00 18.33 N ATOM 148 CA THR A 9 -10.011 -7.989 9.040 1.00 19.24 C ATOM 149 C THR A 9 -8.847 -8.925 9.285 1.00 19.48 C ATOM 150 O THR A 9 -8.983 -10.006 9.892 1.00 23.14 O ATOM 151 CB THR A 9 -11.157 -8.675 8.414 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.903 -8.771 7.046 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.311 -7.700 8.638 1.00 19.70 C ATOM 0 H THR A 9 -9.689 -6.902 7.268 1.00 18.33 H new ATOM 0 HA THR A 9 -10.347 -7.645 10.018 1.00 19.24 H new ATOM 0 HB THR A 9 -11.353 -9.672 8.809 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.651 -9.226 6.606 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.224 -8.112 8.208 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.452 -7.543 9.707 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.082 -6.748 8.159 1.00 19.70 H new ATOM 161 N GLY A 10 -7.620 -8.588 8.801 1.00 19.43 N ATOM 162 CA GLY A 10 -6.420 -9.203 9.289 1.00 18.74 C ATOM 163 C GLY A 10 -5.964 -10.329 8.431 1.00 17.62 C ATOM 164 O GLY A 10 -5.366 -11.251 8.974 1.00 19.74 O ATOM 0 H GLY A 10 -7.468 -7.890 8.073 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.631 -8.454 9.348 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.590 -9.569 10.302 1.00 18.74 H new ATOM 168 N LYS A 11 -6.129 -10.316 7.089 1.00 13.56 N ATOM 169 CA LYS A 11 -5.487 -11.278 6.193 1.00 11.91 C ATOM 170 C LYS A 11 -4.313 -10.516 5.573 1.00 10.18 C ATOM 171 O LYS A 11 -4.361 -9.350 5.215 1.00 9.10 O ATOM 172 CB LYS A 11 -6.418 -11.658 5.063 1.00 13.43 C ATOM 173 CG LYS A 11 -5.898 -12.698 4.050 1.00 16.69 C ATOM 174 CD LYS A 11 -6.847 -12.789 2.847 1.00 17.92 C ATOM 175 CE LYS A 11 -6.776 -11.549 1.966 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.558 -11.738 0.710 1.00 21.93 N ATOM 0 H LYS A 11 -6.713 -9.634 6.606 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.200 -12.181 6.732 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.341 -12.041 5.498 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.675 -10.751 4.516 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.899 -12.421 3.714 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.814 -13.673 4.530 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.597 -13.669 2.254 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.869 -12.923 3.201 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.162 -10.688 2.512 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.736 -11.332 1.722 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.995 -10.836 0.434 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.924 -12.062 -0.048 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.301 -12.449 0.867 1.00 21.93 H new ATOM 190 N THR A 12 -3.136 -11.154 5.502 1.00 9.63 N ATOM 191 CA THR A 12 -1.919 -10.605 4.949 1.00 9.85 C ATOM 192 C THR A 12 -1.651 -10.998 3.551 1.00 11.66 C ATOM 193 O THR A 12 -1.573 -12.210 3.272 1.00 12.33 O ATOM 194 CB THR A 12 -0.685 -10.890 5.768 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.969 -10.681 7.120 1.00 10.91 O ATOM 196 CG2 THR A 12 0.419 -9.895 5.397 1.00 9.63 C ATOM 0 H THR A 12 -3.016 -12.106 5.847 1.00 9.63 H new ATOM 0 HA THR A 12 -2.121 -9.534 4.976 1.00 9.85 H new ATOM 0 HB THR A 12 -0.372 -11.917 5.578 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.169 -10.867 7.655 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.310 -10.102 5.990 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.657 -9.994 4.338 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.077 -8.880 5.599 1.00 9.63 H new ATOM 204 N ILE A 13 -1.562 -10.067 2.554 1.00 10.42 N ATOM 205 CA ILE A 13 -1.167 -10.362 1.157 1.00 11.84 C ATOM 206 C ILE A 13 0.319 -10.053 0.948 1.00 10.55 C ATOM 207 O ILE A 13 0.876 -9.200 1.620 1.00 11.92 O ATOM 208 CB ILE A 13 -2.079 -9.594 0.203 1.00 14.86 C ATOM 209 CG1 ILE A 13 -1.802 -8.171 0.196 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.498 -9.961 0.594 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.713 -7.347 -0.671 1.00 16.46 C ATOM 0 H ILE A 13 -1.767 -9.080 2.709 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.292 -11.424 0.943 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.905 -9.874 -0.836 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -1.866 -7.799 1.219 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.775 -8.018 -0.135 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.201 -9.440 -0.056 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.637 -11.037 0.490 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.677 -9.670 1.629 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.424 -6.298 -0.608 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.634 -7.684 -1.705 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.742 -7.461 -0.330 1.00 16.46 H new ATOM 223 N THR A 14 0.901 -10.750 -0.013 1.00 9.39 N ATOM 224 CA THR A 14 2.289 -10.735 -0.318 1.00 9.63 C ATOM 225 C THR A 14 2.455 -10.176 -1.669 1.00 11.20 C ATOM 226 O THR A 14 1.837 -10.611 -2.607 1.00 11.63 O ATOM 227 CB THR A 14 2.939 -12.113 -0.213 1.00 10.38 C ATOM 228 OG1 THR A 14 2.994 -12.561 1.167 1.00 16.30 O ATOM 229 CG2 THR A 14 4.418 -12.104 -0.614 1.00 11.66 C ATOM 0 H THR A 14 0.372 -11.371 -0.626 1.00 9.39 H new ATOM 0 HA THR A 14 2.798 -10.115 0.420 1.00 9.63 H new ATOM 0 HB THR A 14 2.333 -12.743 -0.864 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.492 -11.909 1.703 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.827 -13.110 -0.520 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.513 -11.769 -1.647 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.968 -11.426 0.039 1.00 11.66 H new ATOM 237 N LEU A 15 3.372 -9.199 -1.765 1.00 8.29 N ATOM 238 CA LEU A 15 3.539 -8.534 -3.035 1.00 9.03 C ATOM 239 C LEU A 15 5.020 -8.559 -3.370 1.00 8.59 C ATOM 240 O LEU A 15 5.829 -8.888 -2.481 1.00 7.79 O ATOM 241 CB LEU A 15 3.160 -7.029 -2.910 1.00 11.08 C ATOM 242 CG LEU A 15 1.687 -6.810 -2.655 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.391 -5.305 -2.480 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.825 -7.328 -3.781 1.00 15.27 C ATOM 0 H LEU A 15 3.975 -8.875 -1.009 1.00 8.29 H new ATOM 0 HA LEU A 15 2.917 -9.028 -3.782 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.734 -6.582 -2.098 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.446 -6.511 -3.826 1.00 11.08 H new ATOM 0 HG LEU A 15 1.446 -7.362 -1.746 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.326 -5.163 -2.297 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.959 -4.918 -1.634 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.678 -4.770 -3.385 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.224 -7.146 -3.549 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.086 -6.813 -4.706 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.990 -8.399 -3.902 1.00 15.27 H new ATOM 256 N GLU A 16 5.433 -8.406 -4.650 1.00 11.04 N ATOM 257 CA GLU A 16 6.789 -8.157 -5.047 1.00 11.50 C ATOM 258 C GLU A 16 6.882 -6.858 -5.764 1.00 10.13 C ATOM 259 O GLU A 16 6.174 -6.640 -6.715 1.00 9.83 O ATOM 260 CB GLU A 16 7.250 -9.263 -6.029 1.00 17.22 C ATOM 261 CG GLU A 16 8.723 -9.330 -6.406 1.00 23.33 C ATOM 262 CD GLU A 16 9.541 -9.690 -5.214 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.483 -10.839 -4.678 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.427 -8.828 -4.930 1.00 28.90 O ATOM 0 H GLU A 16 4.791 -8.459 -5.441 1.00 11.04 H new ATOM 0 HA GLU A 16 7.412 -8.142 -4.153 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.974 -10.225 -5.598 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.677 -9.150 -6.949 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.871 -10.068 -7.195 1.00 23.33 H new ATOM 0 HG3 GLU A 16 9.049 -8.369 -6.803 1.00 23.33 H new ATOM 271 N VAL A 17 7.704 -5.886 -5.312 1.00 8.99 N ATOM 272 CA VAL A 17 7.648 -4.545 -5.904 1.00 8.85 C ATOM 273 C VAL A 17 9.059 -3.974 -5.877 1.00 8.04 C ATOM 274 O VAL A 17 9.741 -3.983 -4.896 1.00 8.99 O ATOM 275 CB VAL A 17 6.743 -3.652 -5.055 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.283 -3.957 -5.406 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.981 -3.847 -3.579 1.00 10.54 C ATOM 0 H VAL A 17 8.389 -6.003 -4.565 1.00 8.99 H new ATOM 0 HA VAL A 17 7.259 -4.592 -6.921 1.00 8.85 H new ATOM 0 HB VAL A 17 6.975 -2.610 -5.277 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.626 -3.327 -4.807 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.114 -3.756 -6.464 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.070 -5.005 -5.197 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.317 -3.193 -3.014 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.782 -4.885 -3.312 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.017 -3.604 -3.342 1.00 10.54 H new ATOM 287 N GLU A 18 9.457 -3.324 -7.002 1.00 7.29 N ATOM 288 CA GLU A 18 10.719 -2.604 -7.048 1.00 7.08 C ATOM 289 C GLU A 18 10.642 -1.329 -6.183 1.00 6.45 C ATOM 290 O GLU A 18 9.622 -0.655 -6.172 1.00 5.28 O ATOM 291 CB GLU A 18 11.165 -2.229 -8.493 1.00 10.28 C ATOM 292 CG GLU A 18 11.422 -3.391 -9.373 1.00 12.65 C ATOM 293 CD GLU A 18 12.773 -4.119 -9.211 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.838 -3.733 -9.799 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.796 -5.177 -8.483 1.00 18.17 O ATOM 0 H GLU A 18 8.918 -3.294 -7.868 1.00 7.29 H new ATOM 0 HA GLU A 18 11.471 -3.285 -6.649 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.394 -1.607 -8.948 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.070 -1.624 -8.436 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.626 -4.118 -9.212 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.342 -3.055 -10.407 1.00 12.65 H new ATOM 302 N PRO A 19 11.649 -0.913 -5.483 1.00 7.24 N ATOM 303 CA PRO A 19 11.627 0.206 -4.572 1.00 7.07 C ATOM 304 C PRO A 19 11.434 1.559 -5.187 1.00 6.65 C ATOM 305 O PRO A 19 11.198 2.540 -4.478 1.00 6.37 O ATOM 306 CB PRO A 19 12.971 0.110 -3.877 1.00 7.61 C ATOM 307 CG PRO A 19 13.196 -1.411 -3.762 1.00 8.16 C ATOM 308 CD PRO A 19 12.629 -1.904 -5.075 1.00 7.49 C ATOM 0 HA PRO A 19 10.759 0.134 -3.917 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.759 0.592 -4.455 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.954 0.590 -2.899 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.251 -1.662 -3.652 1.00 8.16 H new ATOM 0 HG3 PRO A 19 12.675 -1.838 -2.905 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.414 -2.009 -5.824 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.167 -2.884 -4.957 1.00 7.49 H new ATOM 316 N SER A 20 11.545 1.552 -6.504 1.00 6.80 N ATOM 317 CA SER A 20 11.362 2.741 -7.364 1.00 6.28 C ATOM 318 C SER A 20 9.981 2.878 -7.930 1.00 8.45 C ATOM 319 O SER A 20 9.697 3.823 -8.705 1.00 7.26 O ATOM 320 CB SER A 20 12.416 2.808 -8.508 1.00 8.57 C ATOM 321 OG SER A 20 13.687 2.527 -7.856 1.00 11.13 O ATOM 0 H SER A 20 11.769 0.708 -7.031 1.00 6.80 H new ATOM 0 HA SER A 20 11.514 3.587 -6.694 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.201 2.078 -9.288 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.423 3.789 -8.983 1.00 8.57 H new ATOM 0 HG SER A 20 14.407 2.550 -8.520 1.00 11.13 H new ATOM 327 N ASP A 21 9.053 2.073 -7.477 1.00 7.50 N ATOM 328 CA ASP A 21 7.685 2.026 -7.820 1.00 7.70 C ATOM 329 C ASP A 21 6.922 2.834 -6.830 1.00 7.08 C ATOM 330 O ASP A 21 7.198 2.911 -5.652 1.00 8.11 O ATOM 331 CB ASP A 21 7.144 0.570 -8.058 1.00 11.00 C ATOM 332 CG ASP A 21 7.490 0.056 -9.445 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.430 0.895 -10.355 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.987 -1.100 -9.704 1.00 18.03 O ATOM 0 H ASP A 21 9.282 1.362 -6.782 1.00 7.50 H new ATOM 0 HA ASP A 21 7.539 2.480 -8.800 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.563 -0.100 -7.308 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.062 0.559 -7.926 1.00 11.00 H new ATOM 339 N THR A 22 5.838 3.510 -7.330 1.00 5.37 N ATOM 340 CA THR A 22 4.994 4.361 -6.511 1.00 6.01 C ATOM 341 C THR A 22 4.020 3.714 -5.511 1.00 8.01 C ATOM 342 O THR A 22 3.464 2.640 -5.770 1.00 8.11 O ATOM 343 CB THR A 22 4.217 5.384 -7.370 1.00 8.92 C ATOM 344 OG1 THR A 22 3.189 4.844 -8.120 1.00 10.22 O ATOM 345 CG2 THR A 22 5.226 6.094 -8.249 1.00 9.65 C ATOM 0 H THR A 22 5.550 3.462 -8.307 1.00 5.37 H new ATOM 0 HA THR A 22 5.745 4.828 -5.874 1.00 6.01 H new ATOM 0 HB THR A 22 3.712 6.077 -6.697 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.749 5.555 -8.631 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.714 6.827 -8.872 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.961 6.600 -7.623 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.731 5.366 -8.885 1.00 9.65 H new ATOM 353 N ILE A 23 3.743 4.363 -4.325 1.00 8.32 N ATOM 354 CA ILE A 23 2.572 3.959 -3.500 1.00 9.92 C ATOM 355 C ILE A 23 1.228 3.832 -4.314 1.00 10.01 C ATOM 356 O ILE A 23 0.420 2.953 -4.076 1.00 8.71 O ATOM 357 CB ILE A 23 2.366 4.881 -2.306 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.696 5.200 -1.617 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.358 4.153 -1.332 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.455 4.103 -0.942 1.00 12.30 C ATOM 0 H ILE A 23 4.294 5.132 -3.943 1.00 8.32 H new ATOM 0 HA ILE A 23 2.824 2.961 -3.141 1.00 9.92 H new ATOM 0 HB ILE A 23 1.957 5.841 -2.622 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.355 5.641 -2.365 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.501 5.970 -0.871 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.180 4.780 -0.458 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.415 3.976 -1.850 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.782 3.200 -1.015 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.370 4.507 -0.509 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.841 3.668 -0.153 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.708 3.333 -1.671 1.00 12.30 H new ATOM 372 N GLU A 24 0.827 4.652 -5.246 1.00 9.54 N ATOM 373 CA GLU A 24 -0.330 4.456 -6.129 1.00 11.81 C ATOM 374 C GLU A 24 -0.202 3.229 -6.954 1.00 11.14 C ATOM 375 O GLU A 24 -1.180 2.457 -6.926 1.00 10.62 O ATOM 376 CB GLU A 24 -0.503 5.619 -7.139 1.00 19.24 C ATOM 377 CG GLU A 24 -1.737 5.541 -8.085 1.00 27.76 C ATOM 378 CD GLU A 24 -1.681 6.519 -9.231 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.806 7.436 -9.391 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.621 6.325 -10.038 1.00 34.80 O ATOM 0 H GLU A 24 1.314 5.528 -5.434 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.182 4.392 -5.452 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.562 6.552 -6.578 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.395 5.673 -7.754 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.815 4.530 -8.485 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.641 5.725 -7.505 1.00 27.76 H new ATOM 387 N ASN A 25 0.973 2.853 -7.542 1.00 9.43 N ATOM 388 CA ASN A 25 1.320 1.661 -8.290 1.00 10.96 C ATOM 389 C ASN A 25 1.245 0.429 -7.425 1.00 9.68 C ATOM 390 O ASN A 25 0.813 -0.613 -7.869 1.00 9.33 O ATOM 391 CB ASN A 25 2.697 1.767 -9.035 1.00 16.78 C ATOM 392 CG ASN A 25 2.852 0.634 -9.995 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.389 -0.411 -9.663 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.448 0.791 -11.270 1.00 24.70 N ATOM 0 H ASN A 25 1.781 3.473 -7.479 1.00 9.43 H new ATOM 0 HA ASN A 25 0.569 1.568 -9.075 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.758 2.716 -9.568 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.512 1.754 -8.312 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.592 0.041 -11.947 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.998 1.660 -11.559 1.00 24.70 H new ATOM 401 N VAL A 26 1.634 0.524 -6.164 1.00 6.52 N ATOM 402 CA VAL A 26 1.423 -0.524 -5.158 1.00 5.53 C ATOM 403 C VAL A 26 -0.023 -0.853 -5.009 1.00 4.42 C ATOM 404 O VAL A 26 -0.465 -1.953 -5.074 1.00 3.40 O ATOM 405 CB VAL A 26 2.174 -0.352 -3.849 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.821 -1.533 -2.893 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.705 -0.415 -4.145 1.00 8.12 C ATOM 0 H VAL A 26 2.115 1.345 -5.796 1.00 6.52 H new ATOM 0 HA VAL A 26 1.909 -1.412 -5.563 1.00 5.53 H new ATOM 0 HB VAL A 26 1.902 0.599 -3.391 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.358 -1.413 -1.952 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.748 -1.537 -2.700 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.109 -2.476 -3.358 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.261 -0.293 -3.215 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.950 -1.379 -4.590 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.975 0.383 -4.836 1.00 8.12 H new ATOM 417 N LYS A 27 -0.862 0.156 -4.693 1.00 2.64 N ATOM 418 CA LYS A 27 -2.309 0.019 -4.536 1.00 4.14 C ATOM 419 C LYS A 27 -2.946 -0.408 -5.874 1.00 5.58 C ATOM 420 O LYS A 27 -3.903 -1.197 -5.983 1.00 4.11 O ATOM 421 CB LYS A 27 -2.878 1.347 -3.956 1.00 3.97 C ATOM 422 CG LYS A 27 -2.336 1.802 -2.575 1.00 7.45 C ATOM 423 CD LYS A 27 -3.095 2.857 -1.866 1.00 9.02 C ATOM 424 CE LYS A 27 -2.915 4.245 -2.504 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.541 5.269 -1.628 1.00 15.47 N ATOM 0 H LYS A 27 -0.534 1.109 -4.538 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.558 -0.770 -3.826 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.682 2.142 -4.675 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.961 1.246 -3.879 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.286 0.927 -1.926 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.314 2.155 -2.713 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.154 2.597 -1.862 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -2.772 2.895 -0.826 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.855 4.462 -2.638 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.373 4.266 -3.493 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.589 6.176 -2.134 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.502 4.965 -1.370 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -2.971 5.384 -0.766 1.00 15.47 H new ATOM 439 N ALA A 28 -2.482 -0.052 -7.044 1.00 6.61 N ATOM 440 CA ALA A 28 -3.054 -0.470 -8.314 1.00 7.74 C ATOM 441 C ALA A 28 -2.860 -1.957 -8.583 1.00 9.17 C ATOM 442 O ALA A 28 -3.693 -2.560 -9.225 1.00 11.45 O ATOM 443 CB ALA A 28 -2.457 0.459 -9.336 1.00 7.68 C ATOM 0 H ALA A 28 -1.670 0.556 -7.151 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.141 -0.386 -8.335 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.841 0.207 -10.325 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.725 1.487 -9.094 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.372 0.356 -9.331 1.00 7.68 H new ATOM 449 N LYS A 29 -1.737 -2.539 -8.130 1.00 8.96 N ATOM 450 CA LYS A 29 -1.398 -3.978 -8.184 1.00 7.90 C ATOM 451 C LYS A 29 -2.164 -4.795 -7.191 1.00 6.92 C ATOM 452 O LYS A 29 -2.386 -5.994 -7.367 1.00 6.87 O ATOM 453 CB LYS A 29 0.111 -4.098 -8.032 1.00 10.28 C ATOM 454 CG LYS A 29 0.832 -5.352 -8.509 1.00 14.94 C ATOM 455 CD LYS A 29 2.276 -5.216 -8.084 1.00 19.69 C ATOM 456 CE LYS A 29 3.082 -6.159 -9.022 1.00 22.63 C ATOM 457 NZ LYS A 29 4.523 -6.097 -8.820 1.00 24.98 N ATOM 0 H LYS A 29 -0.998 -1.990 -7.691 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.699 -4.396 -9.145 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.557 -3.251 -8.553 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.340 -3.977 -6.973 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.384 -6.245 -8.073 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.756 -5.453 -9.592 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.617 -4.185 -8.179 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.405 -5.499 -7.039 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.746 -7.184 -8.867 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.858 -5.904 -10.058 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.998 -6.699 -9.523 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.847 -5.115 -8.929 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.754 -6.433 -7.863 1.00 24.98 H new ATOM 471 N ILE A 30 -2.581 -4.163 -6.084 1.00 4.57 N ATOM 472 CA ILE A 30 -3.436 -4.687 -5.036 1.00 5.58 C ATOM 473 C ILE A 30 -4.791 -4.837 -5.530 1.00 7.26 C ATOM 474 O ILE A 30 -5.508 -5.790 -5.331 1.00 9.46 O ATOM 475 CB ILE A 30 -3.399 -3.908 -3.708 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.988 -4.077 -3.134 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.435 -4.374 -2.691 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.631 -2.970 -2.106 1.00 2.00 C ATOM 0 H ILE A 30 -2.302 -3.200 -5.894 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.026 -5.664 -4.779 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.645 -2.866 -3.911 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.908 -5.053 -2.655 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.263 -4.061 -3.948 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.347 -3.778 -1.783 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.435 -4.253 -3.108 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.265 -5.424 -2.454 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.622 -3.135 -1.729 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.683 -1.994 -2.589 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.338 -3.002 -1.277 1.00 2.00 H new ATOM 490 N GLN A 31 -5.305 -3.858 -6.363 1.00 7.06 N ATOM 491 CA GLN A 31 -6.606 -3.982 -6.950 1.00 8.67 C ATOM 492 C GLN A 31 -6.936 -5.232 -7.699 1.00 10.90 C ATOM 493 O GLN A 31 -8.007 -5.833 -7.532 1.00 9.63 O ATOM 494 CB GLN A 31 -6.941 -2.779 -7.878 1.00 9.12 C ATOM 495 CG GLN A 31 -8.414 -2.522 -8.206 1.00 10.76 C ATOM 496 CD GLN A 31 -8.488 -1.484 -9.303 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.564 -0.706 -9.564 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.712 -1.226 -9.863 1.00 14.76 N ATOM 0 H GLN A 31 -4.809 -3.002 -6.612 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.222 -4.012 -6.051 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.538 -1.877 -7.417 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.408 -2.922 -8.818 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.898 -3.445 -8.525 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.944 -2.174 -7.319 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.501 -1.844 -9.672 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.834 -0.416 -10.470 1.00 14.76 H new ATOM 507 N ASP A 32 -6.054 -5.743 -8.587 1.00 10.93 N ATOM 508 CA ASP A 32 -6.214 -7.004 -9.338 1.00 14.01 C ATOM 509 C ASP A 32 -6.376 -8.149 -8.429 1.00 14.04 C ATOM 510 O ASP A 32 -7.200 -9.064 -8.611 1.00 13.39 O ATOM 511 CB ASP A 32 -4.965 -7.092 -10.300 1.00 18.01 C ATOM 512 CG ASP A 32 -5.310 -8.122 -11.340 1.00 24.33 C ATOM 513 OD1 ASP A 32 -6.155 -7.816 -12.235 1.00 25.17 O ATOM 514 OD2 ASP A 32 -4.691 -9.184 -11.279 1.00 26.29 O ATOM 0 H ASP A 32 -5.178 -5.269 -8.807 1.00 10.93 H new ATOM 0 HA ASP A 32 -7.125 -7.027 -9.935 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.760 -6.126 -10.761 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.069 -7.379 -9.750 1.00 18.01 H new ATOM 519 N LYS A 33 -5.567 -8.177 -7.340 1.00 14.22 N ATOM 520 CA LYS A 33 -5.474 -9.295 -6.463 1.00 14.00 C ATOM 521 C LYS A 33 -6.725 -9.370 -5.601 1.00 12.37 C ATOM 522 O LYS A 33 -7.205 -10.476 -5.343 1.00 12.17 O ATOM 523 CB LYS A 33 -4.291 -9.110 -5.506 1.00 18.62 C ATOM 524 CG LYS A 33 -3.868 -10.324 -4.642 1.00 24.00 C ATOM 525 CD LYS A 33 -2.764 -10.059 -3.640 1.00 27.61 C ATOM 526 CE LYS A 33 -1.685 -11.165 -3.596 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.258 -12.405 -3.222 1.00 30.06 N ATOM 0 H LYS A 33 -4.967 -7.397 -7.072 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.352 -10.194 -7.067 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.428 -8.801 -6.095 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.529 -8.286 -4.833 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.744 -10.687 -4.104 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.547 -11.126 -5.306 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.288 -9.109 -3.881 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.204 -9.953 -2.648 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.211 -11.257 -4.573 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.904 -10.891 -2.887 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.503 -13.103 -3.066 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.805 -12.284 -2.346 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.887 -12.739 -3.980 1.00 30.06 H new ATOM 541 N GLU A 34 -7.160 -8.194 -5.065 1.00 10.11 N ATOM 542 CA GLU A 34 -8.188 -8.059 -4.028 1.00 10.07 C ATOM 543 C GLU A 34 -9.485 -7.302 -4.352 1.00 9.32 C ATOM 544 O GLU A 34 -10.414 -7.225 -3.482 1.00 11.61 O ATOM 545 CB GLU A 34 -7.592 -7.352 -2.813 1.00 14.77 C ATOM 546 CG GLU A 34 -6.514 -8.053 -1.970 1.00 18.75 C ATOM 547 CD GLU A 34 -6.949 -9.408 -1.482 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.912 -9.523 -0.696 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.280 -10.424 -1.750 1.00 25.19 O ATOM 0 H GLU A 34 -6.784 -7.294 -5.362 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.485 -9.097 -3.881 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.170 -6.409 -3.161 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.417 -7.105 -2.145 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.606 -8.159 -2.564 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.263 -7.426 -1.114 1.00 18.75 H new ATOM 556 N GLY A 35 -9.695 -6.690 -5.545 1.00 7.22 N ATOM 557 CA GLY A 35 -10.927 -6.054 -5.889 1.00 6.29 C ATOM 558 C GLY A 35 -11.208 -4.790 -5.159 1.00 6.93 C ATOM 559 O GLY A 35 -12.313 -4.276 -5.390 1.00 7.41 O ATOM 0 H GLY A 35 -8.989 -6.641 -6.279 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.924 -5.845 -6.959 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.743 -6.752 -5.703 1.00 6.29 H new ATOM 563 N ILE A 36 -10.221 -4.157 -4.483 1.00 5.86 N ATOM 564 CA ILE A 36 -10.259 -2.938 -3.723 1.00 6.07 C ATOM 565 C ILE A 36 -9.673 -1.883 -4.518 1.00 6.36 C ATOM 566 O ILE A 36 -8.444 -1.926 -4.736 1.00 6.18 O ATOM 567 CB ILE A 36 -9.539 -2.977 -2.385 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.143 -4.116 -1.580 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.643 -1.552 -1.715 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.568 -4.212 -0.162 1.00 9.49 C ATOM 0 H ILE A 36 -9.282 -4.555 -4.472 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.311 -2.771 -3.492 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.472 -3.181 -2.469 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.223 -3.980 -1.521 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.968 -5.057 -2.102 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.131 -1.564 -0.753 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.179 -0.810 -2.364 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.692 -1.297 -1.564 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.037 -5.043 0.365 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.492 -4.377 -0.216 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.766 -3.284 0.375 1.00 9.49 H new ATOM 582 N PRO A 37 -10.367 -0.860 -5.023 1.00 8.65 N ATOM 583 CA PRO A 37 -9.776 0.219 -5.846 1.00 9.18 C ATOM 584 C PRO A 37 -8.664 0.983 -5.157 1.00 9.85 C ATOM 585 O PRO A 37 -8.751 1.062 -3.924 1.00 8.51 O ATOM 586 CB PRO A 37 -10.989 1.127 -6.068 1.00 11.42 C ATOM 587 CG PRO A 37 -12.160 0.165 -6.101 1.00 9.27 C ATOM 588 CD PRO A 37 -11.833 -0.851 -5.035 1.00 8.33 C ATOM 0 HA PRO A 37 -9.300 -0.165 -6.748 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.094 1.857 -5.266 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.905 1.687 -7.000 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.100 0.675 -5.891 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.263 -0.304 -7.080 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.242 -0.565 -4.066 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.240 -1.833 -5.276 1.00 8.33 H new ATOM 596 N PRO A 38 -7.682 1.581 -5.825 1.00 8.71 N ATOM 597 CA PRO A 38 -6.716 2.361 -5.140 1.00 9.08 C ATOM 598 C PRO A 38 -7.192 3.730 -4.589 1.00 9.28 C ATOM 599 O PRO A 38 -6.586 4.277 -3.674 1.00 6.50 O ATOM 600 CB PRO A 38 -5.553 2.650 -6.164 1.00 10.31 C ATOM 601 CG PRO A 38 -6.318 2.575 -7.483 1.00 10.81 C ATOM 602 CD PRO A 38 -7.382 1.490 -7.223 1.00 12.00 C ATOM 0 HA PRO A 38 -6.433 1.779 -4.263 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.094 3.626 -6.006 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.755 1.910 -6.105 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.775 3.532 -7.737 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.663 2.304 -8.311 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.273 1.660 -7.828 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.005 0.500 -7.481 1.00 12.00 H new ATOM 610 N ASP A 39 -8.291 4.209 -5.042 1.00 11.20 N ATOM 611 CA ASP A 39 -8.963 5.406 -4.521 1.00 14.96 C ATOM 612 C ASP A 39 -9.731 5.139 -3.299 1.00 13.99 C ATOM 613 O ASP A 39 -10.071 6.054 -2.514 1.00 13.75 O ATOM 614 CB ASP A 39 -9.886 6.162 -5.515 1.00 24.16 C ATOM 615 CG ASP A 39 -9.155 6.795 -6.657 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.210 7.623 -6.515 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.443 6.455 -7.854 1.00 35.55 O ATOM 0 H ASP A 39 -8.792 3.780 -5.820 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.117 6.060 -4.313 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.626 5.466 -5.911 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.433 6.934 -4.973 1.00 24.16 H new ATOM 622 N GLN A 40 -10.036 3.852 -3.031 1.00 11.60 N ATOM 623 CA GLN A 40 -10.813 3.487 -1.916 1.00 10.76 C ATOM 624 C GLN A 40 -9.919 2.877 -0.840 1.00 8.01 C ATOM 625 O GLN A 40 -10.356 2.189 0.090 1.00 8.96 O ATOM 626 CB GLN A 40 -11.904 2.445 -2.379 1.00 11.14 C ATOM 627 CG GLN A 40 -13.199 2.444 -1.559 1.00 14.85 C ATOM 628 CD GLN A 40 -14.102 1.226 -2.000 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.825 0.235 -2.676 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.406 1.372 -1.524 1.00 18.16 N ATOM 0 H GLN A 40 -9.732 3.066 -3.605 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.303 4.366 -1.498 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.154 2.644 -3.421 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.468 1.447 -2.341 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.969 2.373 -0.496 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.736 3.381 -1.707 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.656 2.186 -0.962 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.109 0.665 -1.738 1.00 18.16 H new ATOM 639 N GLN A 41 -8.581 3.113 -0.962 1.00 6.52 N ATOM 640 CA GLN A 41 -7.573 2.407 -0.110 1.00 3.87 C ATOM 641 C GLN A 41 -6.445 3.306 0.184 1.00 4.79 C ATOM 642 O GLN A 41 -5.885 4.009 -0.637 1.00 6.34 O ATOM 643 CB GLN A 41 -6.899 1.283 -0.973 1.00 4.20 C ATOM 644 CG GLN A 41 -6.026 0.260 -0.235 1.00 3.20 C ATOM 645 CD GLN A 41 -5.328 -0.690 -1.258 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.349 -1.332 -0.940 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.882 -0.858 -2.486 1.00 7.13 N ATOM 0 H GLN A 41 -8.179 3.773 -1.628 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.082 2.050 0.786 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -7.687 0.740 -1.495 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -6.285 1.764 -1.734 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -5.276 0.776 0.364 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -6.638 -0.322 0.454 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.705 -0.318 -2.752 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.475 -1.525 -3.142 1.00 7.13 H new ATOM 656 N ARG A 42 -6.060 3.285 1.477 1.00 5.73 N ATOM 657 CA ARG A 42 -4.782 3.827 1.884 1.00 6.97 C ATOM 658 C ARG A 42 -3.933 2.740 2.529 1.00 7.15 C ATOM 659 O ARG A 42 -4.436 1.679 2.906 1.00 7.33 O ATOM 660 CB ARG A 42 -5.010 4.862 2.988 1.00 13.23 C ATOM 661 CG ARG A 42 -5.415 6.240 2.490 1.00 21.27 C ATOM 662 CD ARG A 42 -5.004 7.305 3.535 1.00 26.14 C ATOM 663 NE ARG A 42 -5.015 8.564 2.739 1.00 32.26 N ATOM 664 CZ ARG A 42 -5.844 9.635 2.885 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.939 9.471 3.601 1.00 35.30 N ATOM 666 NH2 ARG A 42 -5.589 10.801 2.331 1.00 36.39 N ATOM 0 H ARG A 42 -6.621 2.899 2.237 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.298 4.248 1.003 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.783 4.492 3.661 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.096 4.956 3.574 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.935 6.449 1.534 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.491 6.276 2.321 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.705 7.346 4.369 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.020 7.101 3.956 1.00 26.14 H new ATOM 0 HE ARG A 42 -4.319 8.632 1.996 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.141 8.565 4.023 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.584 10.250 3.732 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -4.747 10.926 1.770 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -6.234 11.580 2.463 1.00 36.39 H new ATOM 680 N LEU A 43 -2.578 3.019 2.645 1.00 4.65 N ATOM 681 CA LEU A 43 -1.605 2.111 3.178 1.00 3.51 C ATOM 682 C LEU A 43 -0.814 2.857 4.221 1.00 5.56 C ATOM 683 O LEU A 43 -0.477 4.018 4.061 1.00 4.19 O ATOM 684 CB LEU A 43 -0.711 1.483 2.072 1.00 3.74 C ATOM 685 CG LEU A 43 -1.437 0.479 1.165 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.428 -0.167 0.192 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.100 -0.617 2.039 1.00 6.41 C ATOM 0 H LEU A 43 -2.175 3.909 2.352 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.102 1.257 3.639 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.302 2.283 1.454 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.134 0.982 2.545 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.205 0.997 0.590 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.947 -0.879 -0.450 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.032 0.607 -0.422 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.344 -0.686 0.760 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.616 -1.331 1.397 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.334 -1.135 2.616 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.817 -0.156 2.719 1.00 6.41 H new ATOM 699 N ILE A 44 -0.584 2.232 5.392 1.00 4.58 N ATOM 700 CA ILE A 44 0.143 2.897 6.505 1.00 5.55 C ATOM 701 C ILE A 44 1.395 2.101 6.953 1.00 5.46 C ATOM 702 O ILE A 44 1.398 0.919 7.283 1.00 6.04 O ATOM 703 CB ILE A 44 -0.695 3.119 7.771 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.046 3.831 7.423 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.177 3.907 8.831 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.941 4.102 8.587 1.00 13.90 C ATOM 0 H ILE A 44 -0.885 1.279 5.596 1.00 4.58 H new ATOM 0 HA ILE A 44 0.412 3.861 6.073 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.972 2.164 8.217 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.823 4.777 6.929 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.588 3.216 6.704 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.409 4.070 9.735 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.066 3.326 9.075 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.476 4.869 8.414 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.849 4.597 8.241 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.203 3.161 9.072 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.426 4.746 9.300 1.00 13.90 H new ATOM 718 N PHE A 45 2.550 2.835 6.943 1.00 6.75 N ATOM 719 CA PHE A 45 3.748 2.311 7.491 1.00 4.70 C ATOM 720 C PHE A 45 4.522 3.524 7.998 1.00 6.34 C ATOM 721 O PHE A 45 4.380 4.616 7.421 1.00 5.45 O ATOM 722 CB PHE A 45 4.433 1.547 6.307 1.00 5.51 C ATOM 723 CG PHE A 45 5.863 1.116 6.721 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.929 2.024 6.475 1.00 5.87 C ATOM 725 CD2 PHE A 45 6.164 -0.178 7.317 1.00 6.86 C ATOM 726 CE1 PHE A 45 8.262 1.703 6.767 1.00 6.64 C ATOM 727 CE2 PHE A 45 7.509 -0.457 7.644 1.00 6.68 C ATOM 728 CZ PHE A 45 8.533 0.498 7.405 1.00 6.84 C ATOM 0 H PHE A 45 2.632 3.775 6.556 1.00 6.75 H new ATOM 0 HA PHE A 45 3.646 1.615 8.324 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.843 0.671 6.037 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.476 2.187 5.425 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.705 2.991 6.050 1.00 5.87 H new ATOM 0 HD2 PHE A 45 5.384 -0.901 7.503 1.00 6.86 H new ATOM 0 HE1 PHE A 45 9.062 2.378 6.502 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.763 -1.411 8.082 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.542 0.284 7.725 1.00 6.84 H new ATOM 738 N ALA A 46 5.296 3.362 9.057 1.00 6.53 N ATOM 739 CA ALA A 46 6.134 4.373 9.749 1.00 7.15 C ATOM 740 C ALA A 46 5.318 5.515 10.331 1.00 9.00 C ATOM 741 O ALA A 46 5.792 6.665 10.401 1.00 11.15 O ATOM 742 CB ALA A 46 7.255 4.905 8.857 1.00 8.99 C ATOM 0 H ALA A 46 5.373 2.449 9.506 1.00 6.53 H new ATOM 0 HA ALA A 46 6.596 3.848 10.585 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.840 5.641 9.408 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.901 4.081 8.554 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.824 5.373 7.971 1.00 8.99 H new ATOM 748 N GLY A 47 4.060 5.228 10.673 1.00 9.35 N ATOM 749 CA GLY A 47 3.108 6.192 11.204 1.00 11.68 C ATOM 750 C GLY A 47 2.624 7.252 10.272 1.00 11.14 C ATOM 751 O GLY A 47 2.109 8.317 10.690 1.00 13.93 O ATOM 0 H GLY A 47 3.669 4.290 10.584 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.241 5.644 11.573 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.565 6.681 12.064 1.00 11.68 H new ATOM 755 N LYS A 48 2.742 6.994 8.942 1.00 10.47 N ATOM 756 CA LYS A 48 2.391 7.923 7.939 1.00 8.82 C ATOM 757 C LYS A 48 1.473 7.316 6.959 1.00 7.68 C ATOM 758 O LYS A 48 1.534 6.138 6.689 1.00 6.47 O ATOM 759 CB LYS A 48 3.751 8.334 7.307 1.00 9.74 C ATOM 760 CG LYS A 48 4.530 9.401 8.026 1.00 14.14 C ATOM 761 CD LYS A 48 5.885 9.732 7.438 1.00 16.32 C ATOM 762 CE LYS A 48 7.062 8.748 7.754 1.00 20.04 C ATOM 763 NZ LYS A 48 7.373 8.611 9.171 1.00 23.92 N ATOM 0 H LYS A 48 3.093 6.109 8.575 1.00 10.47 H new ATOM 0 HA LYS A 48 1.854 8.788 8.327 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.377 7.444 7.236 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.565 8.675 6.289 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.931 10.311 8.046 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.670 9.088 9.061 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.777 9.793 6.355 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.171 10.724 7.787 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.814 7.765 7.353 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.955 9.090 7.231 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.388 8.416 9.286 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.131 9.493 9.666 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.822 7.826 9.573 1.00 23.92 H new ATOM 777 N GLN A 49 0.563 8.071 6.342 1.00 8.89 N ATOM 778 CA GLN A 49 -0.492 7.463 5.534 1.00 7.18 C ATOM 779 C GLN A 49 -0.089 7.441 4.078 1.00 8.23 C ATOM 780 O GLN A 49 -0.805 7.855 3.174 1.00 9.70 O ATOM 781 CB GLN A 49 -1.948 7.946 5.768 1.00 11.67 C ATOM 782 CG GLN A 49 -2.335 8.025 7.272 1.00 15.82 C ATOM 783 CD GLN A 49 -3.852 8.291 7.324 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.718 7.468 7.069 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.209 9.498 7.779 1.00 20.67 N ATOM 0 H GLN A 49 0.535 9.090 6.385 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.564 6.441 5.907 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.075 8.929 5.315 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.634 7.270 5.258 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.087 7.096 7.785 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.785 8.822 7.772 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.495 10.193 7.995 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.195 9.723 7.909 1.00 20.67 H new ATOM 794 N LEU A 50 1.130 6.936 3.792 1.00 6.51 N ATOM 795 CA LEU A 50 1.892 6.845 2.566 1.00 7.41 C ATOM 796 C LEU A 50 1.217 7.431 1.292 1.00 8.27 C ATOM 797 O LEU A 50 0.326 6.927 0.688 1.00 8.34 O ATOM 798 CB LEU A 50 2.339 5.382 2.201 1.00 7.13 C ATOM 799 CG LEU A 50 2.797 4.351 3.260 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.061 2.968 2.721 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.122 4.785 3.901 1.00 9.11 C ATOM 0 H LEU A 50 1.670 6.522 4.552 1.00 6.51 H new ATOM 0 HA LEU A 50 2.749 7.467 2.823 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.504 4.927 1.668 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.158 5.478 1.488 1.00 7.13 H new ATOM 0 HG LEU A 50 1.963 4.315 3.961 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.377 2.315 3.534 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.150 2.573 2.271 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.847 3.015 1.967 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.426 4.047 4.643 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.890 4.864 3.131 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.992 5.753 4.385 1.00 9.11 H new ATOM 813 N GLU A 51 1.774 8.540 0.799 1.00 9.43 N ATOM 814 CA GLU A 51 1.169 9.362 -0.184 1.00 11.90 C ATOM 815 C GLU A 51 1.356 8.830 -1.605 1.00 11.49 C ATOM 816 O GLU A 51 2.429 8.310 -1.999 1.00 9.88 O ATOM 817 CB GLU A 51 1.597 10.859 -0.055 1.00 16.56 C ATOM 818 CG GLU A 51 1.085 11.455 1.297 1.00 26.06 C ATOM 819 CD GLU A 51 1.295 12.913 1.626 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.134 13.862 0.789 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.619 13.150 2.787 1.00 32.13 O ATOM 0 H GLU A 51 2.688 8.878 1.100 1.00 9.43 H new ATOM 0 HA GLU A 51 0.098 9.323 0.015 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.683 10.940 -0.108 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.194 11.433 -0.889 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.012 11.267 1.344 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.546 10.876 2.097 1.00 26.06 H new ATOM 828 N ASP A 52 0.348 8.937 -2.465 1.00 12.71 N ATOM 829 CA ASP A 52 0.169 8.146 -3.695 1.00 16.56 C ATOM 830 C ASP A 52 1.238 8.259 -4.792 1.00 15.83 C ATOM 831 O ASP A 52 1.725 7.292 -5.340 1.00 17.21 O ATOM 832 CB ASP A 52 -1.282 8.463 -4.255 1.00 21.05 C ATOM 833 CG ASP A 52 -2.298 8.220 -3.173 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.500 8.995 -2.205 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.960 7.160 -3.343 1.00 28.37 O ATOM 0 H ASP A 52 -0.407 9.608 -2.323 1.00 12.71 H new ATOM 0 HA ASP A 52 0.293 7.105 -3.397 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.335 9.498 -4.594 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.496 7.833 -5.119 1.00 21.05 H new ATOM 840 N GLY A 53 1.655 9.487 -5.004 1.00 15.00 N ATOM 841 CA GLY A 53 2.673 9.784 -6.053 1.00 11.77 C ATOM 842 C GLY A 53 4.036 9.741 -5.502 1.00 11.10 C ATOM 843 O GLY A 53 4.925 9.959 -6.314 1.00 11.25 O ATOM 0 H GLY A 53 1.327 10.302 -4.486 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.584 9.062 -6.864 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.482 10.769 -6.480 1.00 11.77 H new ATOM 847 N ARG A 54 4.244 9.339 -4.219 1.00 8.53 N ATOM 848 CA ARG A 54 5.618 9.077 -3.726 1.00 9.05 C ATOM 849 C ARG A 54 6.109 7.614 -3.930 1.00 8.96 C ATOM 850 O ARG A 54 5.267 6.797 -4.281 1.00 11.60 O ATOM 851 CB ARG A 54 5.795 9.374 -2.253 1.00 7.97 C ATOM 852 CG ARG A 54 5.257 10.735 -1.754 1.00 9.62 C ATOM 853 CD ARG A 54 6.095 11.120 -0.529 1.00 12.20 C ATOM 854 NE ARG A 54 5.528 12.303 0.138 1.00 18.23 N ATOM 855 CZ ARG A 54 5.816 12.610 1.439 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.595 11.781 2.172 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.207 13.609 2.032 1.00 23.38 N ATOM 0 H ARG A 54 3.505 9.194 -3.531 1.00 8.53 H new ATOM 0 HA ARG A 54 6.211 9.757 -4.338 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.304 8.584 -1.684 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.858 9.321 -2.020 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.340 11.493 -2.533 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.201 10.661 -1.493 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.131 10.285 0.170 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.121 11.325 -0.834 1.00 12.20 H new ATOM 0 HE ARG A 54 4.901 12.913 -0.386 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.967 10.928 1.754 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.810 12.009 3.143 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.516 14.160 1.523 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.424 13.835 3.003 1.00 23.38 H new ATOM 871 N THR A 55 7.372 7.287 -3.752 1.00 9.05 N ATOM 872 CA THR A 55 7.897 5.945 -4.090 1.00 9.03 C ATOM 873 C THR A 55 8.213 5.234 -2.745 1.00 8.15 C ATOM 874 O THR A 55 8.317 5.848 -1.687 1.00 5.91 O ATOM 875 CB THR A 55 9.157 6.009 -4.959 1.00 11.15 C ATOM 876 OG1 THR A 55 10.177 6.822 -4.378 1.00 11.95 O ATOM 877 CG2 THR A 55 8.841 6.624 -6.281 1.00 11.71 C ATOM 0 H THR A 55 8.072 7.925 -3.374 1.00 9.05 H new ATOM 0 HA THR A 55 7.154 5.401 -4.673 1.00 9.03 H new ATOM 0 HB THR A 55 9.507 4.981 -5.055 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.961 6.832 -4.965 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.745 6.664 -6.889 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.087 6.024 -6.790 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.460 7.634 -6.131 1.00 11.71 H new ATOM 885 N LEU A 56 8.454 3.876 -2.865 1.00 6.91 N ATOM 886 CA LEU A 56 8.715 3.005 -1.701 1.00 8.29 C ATOM 887 C LEU A 56 10.050 3.311 -1.042 1.00 8.05 C ATOM 888 O LEU A 56 10.165 3.266 0.153 1.00 10.17 O ATOM 889 CB LEU A 56 8.819 1.542 -2.196 1.00 6.60 C ATOM 890 CG LEU A 56 7.410 0.957 -2.638 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.522 -0.170 -3.670 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.680 0.516 -1.371 1.00 8.64 C ATOM 0 H LEU A 56 8.468 3.385 -3.759 1.00 6.91 H new ATOM 0 HA LEU A 56 7.905 3.167 -0.990 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.511 1.493 -3.037 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.236 0.921 -1.403 1.00 6.60 H new ATOM 0 HG LEU A 56 6.840 1.732 -3.151 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.525 -0.526 -3.930 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.018 0.204 -4.565 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.102 -0.992 -3.250 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.705 0.107 -1.636 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.267 -0.248 -0.860 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.547 1.373 -0.711 1.00 8.64 H new ATOM 904 N SER A 57 11.127 3.619 -1.773 1.00 8.92 N ATOM 905 CA SER A 57 12.367 4.011 -1.160 1.00 9.00 C ATOM 906 C SER A 57 12.371 5.374 -0.545 1.00 9.44 C ATOM 907 O SER A 57 13.177 5.657 0.365 1.00 10.91 O ATOM 908 CB SER A 57 13.568 3.889 -2.069 1.00 10.32 C ATOM 909 OG SER A 57 13.314 4.815 -3.124 1.00 13.59 O ATOM 0 H SER A 57 11.148 3.599 -2.793 1.00 8.92 H new ATOM 0 HA SER A 57 12.452 3.282 -0.354 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.491 4.131 -1.542 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.676 2.873 -2.450 1.00 10.32 H new ATOM 0 HG SER A 57 14.058 4.796 -3.762 1.00 13.59 H new ATOM 915 N ASP A 58 11.520 6.288 -0.939 1.00 9.11 N ATOM 916 CA ASP A 58 11.424 7.606 -0.386 1.00 7.91 C ATOM 917 C ASP A 58 10.831 7.576 1.036 1.00 9.12 C ATOM 918 O ASP A 58 10.942 8.496 1.851 1.00 8.61 O ATOM 919 CB ASP A 58 10.642 8.499 -1.334 1.00 8.41 C ATOM 920 CG ASP A 58 10.981 9.946 -1.188 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.033 10.315 -1.803 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.245 10.729 -0.564 1.00 11.70 O ATOM 0 H ASP A 58 10.848 6.121 -1.688 1.00 9.11 H new ATOM 0 HA ASP A 58 12.423 8.028 -0.281 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.837 8.188 -2.360 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.575 8.362 -1.156 1.00 8.41 H new ATOM 927 N TYR A 59 10.135 6.475 1.359 1.00 7.97 N ATOM 928 CA TYR A 59 9.556 6.203 2.615 1.00 8.45 C ATOM 929 C TYR A 59 10.349 5.157 3.355 1.00 10.98 C ATOM 930 O TYR A 59 9.834 4.668 4.406 1.00 12.95 O ATOM 931 CB TYR A 59 8.156 5.629 2.332 1.00 7.94 C ATOM 932 CG TYR A 59 7.139 6.687 2.293 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.851 7.373 3.478 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.302 7.003 1.166 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.869 8.396 3.555 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.360 7.978 1.241 1.00 6.52 C ATOM 937 CZ TYR A 59 5.109 8.737 2.392 1.00 6.76 C ATOM 938 OH TYR A 59 4.149 9.706 2.343 1.00 7.63 O ATOM 0 H TYR A 59 9.971 5.727 0.685 1.00 7.97 H new ATOM 0 HA TYR A 59 9.527 7.109 3.220 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.165 5.096 1.381 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.897 4.902 3.102 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.399 7.114 4.372 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.425 6.455 0.244 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.697 8.914 4.487 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.768 8.181 0.360 1.00 6.52 H new ATOM 0 HH TYR A 59 4.317 10.294 1.577 1.00 7.63 H new ATOM 948 N ASN A 60 11.592 4.805 2.907 1.00 12.38 N ATOM 949 CA ASN A 60 12.525 3.896 3.639 1.00 13.94 C ATOM 950 C ASN A 60 11.994 2.530 3.943 1.00 14.16 C ATOM 951 O ASN A 60 12.338 1.840 4.892 1.00 14.26 O ATOM 952 CB ASN A 60 13.248 4.543 4.835 1.00 19.23 C ATOM 953 CG ASN A 60 13.930 5.851 4.457 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.560 6.047 3.422 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.716 6.876 5.338 1.00 24.09 N ATOM 0 H ASN A 60 11.974 5.146 2.025 1.00 12.38 H new ATOM 0 HA ASN A 60 13.301 3.720 2.894 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.530 4.727 5.634 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.991 3.848 5.227 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.081 7.807 5.136 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.192 6.709 6.197 1.00 24.09 H new ATOM 962 N ILE A 61 11.079 2.006 3.015 1.00 11.08 N ATOM 963 CA ILE A 61 10.460 0.706 3.089 1.00 11.78 C ATOM 964 C ILE A 61 11.624 -0.329 2.868 1.00 13.74 C ATOM 965 O ILE A 61 12.596 -0.061 2.193 1.00 14.60 O ATOM 966 CB ILE A 61 9.176 0.559 2.261 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.112 1.430 2.949 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.716 -0.904 2.087 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.888 1.631 2.030 1.00 11.42 C ATOM 0 H ILE A 61 10.781 2.534 2.195 1.00 11.08 H new ATOM 0 HA ILE A 61 10.016 0.509 4.065 1.00 11.78 H new ATOM 0 HB ILE A 61 9.355 0.893 1.239 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.799 0.960 3.881 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.540 2.398 3.208 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.803 -0.930 1.492 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.496 -1.473 1.581 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.523 -1.344 3.066 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.149 2.250 2.538 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.201 2.122 1.109 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.448 0.662 1.793 1.00 11.42 H new ATOM 981 N GLN A 62 11.543 -1.521 3.469 1.00 13.97 N ATOM 982 CA GLN A 62 12.619 -2.521 3.468 1.00 15.52 C ATOM 983 C GLN A 62 11.999 -3.862 3.183 1.00 13.94 C ATOM 984 O GLN A 62 10.784 -4.007 3.333 1.00 12.15 O ATOM 985 CB GLN A 62 13.589 -2.562 4.701 1.00 19.53 C ATOM 986 CG GLN A 62 13.013 -3.010 6.018 1.00 26.38 C ATOM 987 CD GLN A 62 14.027 -2.873 7.175 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.570 -3.915 7.581 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.263 -1.626 7.661 1.00 32.71 N ATOM 0 H GLN A 62 10.713 -1.824 3.979 1.00 13.97 H new ATOM 0 HA GLN A 62 13.310 -2.210 2.684 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.420 -3.222 4.454 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.004 -1.563 4.837 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.125 -2.420 6.244 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.693 -4.049 5.938 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.771 -0.824 7.267 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.932 -1.492 8.419 1.00 32.71 H new ATOM 998 N LYS A 63 12.824 -4.873 2.904 1.00 11.73 N ATOM 999 CA LYS A 63 12.366 -6.208 2.628 1.00 11.97 C ATOM 1000 C LYS A 63 11.656 -6.874 3.815 1.00 10.41 C ATOM 1001 O LYS A 63 12.043 -6.759 4.990 1.00 9.59 O ATOM 1002 CB LYS A 63 13.432 -7.194 2.092 1.00 13.73 C ATOM 1003 CG LYS A 63 14.674 -7.488 2.930 1.00 16.98 C ATOM 1004 CD LYS A 63 14.579 -8.815 3.691 1.00 20.19 C ATOM 1005 CE LYS A 63 14.663 -10.039 2.750 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.199 -11.292 3.324 1.00 25.97 N ATOM 0 H LYS A 63 13.838 -4.772 2.866 1.00 11.73 H new ATOM 0 HA LYS A 63 11.656 -6.022 1.822 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.932 -8.144 1.904 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.771 -6.816 1.128 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.548 -7.510 2.279 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.826 -6.677 3.642 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.383 -8.868 4.425 1.00 20.19 H new ATOM 0 HD3 LYS A 63 13.640 -8.848 4.243 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.079 -9.830 1.854 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.699 -10.164 2.433 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 13.552 -11.761 2.658 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.013 -11.911 3.510 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.699 -11.101 4.216 1.00 25.97 H new ATOM 1020 N GLU A 64 10.507 -7.481 3.535 1.00 10.04 N ATOM 1021 CA GLU A 64 9.594 -8.074 4.429 1.00 10.94 C ATOM 1022 C GLU A 64 8.864 -7.067 5.316 1.00 9.74 C ATOM 1023 O GLU A 64 8.343 -7.523 6.323 1.00 9.42 O ATOM 1024 CB GLU A 64 10.185 -9.323 5.291 1.00 18.31 C ATOM 1025 CG GLU A 64 10.610 -10.487 4.380 1.00 24.16 C ATOM 1026 CD GLU A 64 11.296 -11.577 5.171 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.527 -11.426 5.417 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.640 -12.522 5.610 1.00 31.72 O ATOM 0 H GLU A 64 10.186 -7.563 2.570 1.00 10.04 H new ATOM 0 HA GLU A 64 8.849 -8.512 3.765 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.040 -8.989 5.878 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.430 -9.669 5.996 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.735 -10.896 3.876 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.282 -10.119 3.605 1.00 24.16 H new ATOM 1035 N SER A 65 8.755 -5.777 4.965 1.00 6.85 N ATOM 1036 CA SER A 65 7.904 -4.782 5.661 1.00 6.90 C ATOM 1037 C SER A 65 6.360 -5.071 5.574 1.00 4.72 C ATOM 1038 O SER A 65 5.972 -5.481 4.442 1.00 3.91 O ATOM 1039 CB SER A 65 8.108 -3.272 5.378 1.00 7.28 C ATOM 1040 OG SER A 65 9.461 -2.964 5.631 1.00 10.56 O ATOM 0 H SER A 65 9.264 -5.381 4.174 1.00 6.85 H new ATOM 0 HA SER A 65 8.295 -4.952 6.664 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.850 -3.039 4.345 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.455 -2.673 6.013 1.00 7.28 H new ATOM 0 HG SER A 65 10.025 -3.382 4.948 1.00 10.56 H new ATOM 1046 N THR A 66 5.505 -4.761 6.584 1.00 4.48 N ATOM 1047 CA THR A 66 4.024 -4.975 6.576 1.00 3.80 C ATOM 1048 C THR A 66 3.353 -3.621 6.531 1.00 4.60 C ATOM 1049 O THR A 66 3.600 -2.708 7.352 1.00 5.33 O ATOM 1050 CB THR A 66 3.445 -5.796 7.669 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.190 -6.976 7.773 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.010 -6.126 7.346 1.00 3.40 C ATOM 0 H THR A 66 5.832 -4.342 7.455 1.00 4.48 H new ATOM 0 HA THR A 66 3.830 -5.579 5.690 1.00 3.80 H new ATOM 0 HB THR A 66 3.477 -5.249 8.611 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.824 -7.532 8.492 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.586 -6.729 8.149 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.439 -5.203 7.244 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.967 -6.685 6.411 1.00 3.40 H new ATOM 1060 N LEU A 67 2.457 -3.385 5.596 1.00 4.17 N ATOM 1061 CA LEU A 67 1.824 -2.086 5.437 1.00 3.85 C ATOM 1062 C LEU A 67 0.412 -2.362 5.818 1.00 3.80 C ATOM 1063 O LEU A 67 -0.169 -3.286 5.324 1.00 5.54 O ATOM 1064 CB LEU A 67 1.989 -1.673 3.949 1.00 7.18 C ATOM 1065 CG LEU A 67 3.311 -1.977 3.213 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.175 -1.458 1.809 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.500 -1.251 3.875 1.00 11.66 C ATOM 0 H LEU A 67 2.145 -4.085 4.924 1.00 4.17 H new ATOM 0 HA LEU A 67 2.233 -1.269 6.032 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.186 -2.151 3.387 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.823 -0.597 3.889 1.00 7.18 H new ATOM 0 HG LEU A 67 3.498 -3.050 3.243 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.094 -1.656 1.257 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.341 -1.957 1.316 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.991 -0.384 1.834 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.417 -1.485 3.334 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.329 -0.175 3.850 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.596 -1.579 4.910 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.165 -1.558 6.770 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.493 -1.733 7.227 1.00 4.17 C ATOM 1081 C HIS A 68 -2.448 -1.153 6.170 1.00 5.32 C ATOM 1082 O HIS A 68 -2.208 -0.047 5.672 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.684 -1.159 8.619 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.559 -1.421 9.610 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.720 -0.856 9.634 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.583 -2.221 10.702 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.376 -1.359 10.706 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.655 -2.215 11.427 1.00 16.30 N ATOM 0 H HIS A 68 0.322 -0.780 7.214 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.724 -2.792 7.339 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.819 -0.081 8.530 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.608 -1.563 9.033 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.092 -0.184 8.963 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.444 -2.803 10.996 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.392 -1.090 10.954 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.488 -1.815 5.828 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.476 -1.341 4.867 1.00 3.97 C ATOM 1098 C LEU A 69 -5.573 -0.628 5.586 1.00 5.07 C ATOM 1099 O LEU A 69 -6.087 -1.112 6.598 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.952 -2.526 4.001 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.694 -2.166 2.668 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.647 -3.317 1.595 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.212 -1.841 2.948 1.00 9.96 C ATOM 0 H LEU A 69 -3.705 -2.736 6.208 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.044 -0.613 4.181 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.084 -3.138 3.754 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.616 -3.144 4.605 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.167 -1.299 2.270 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.180 -3.000 0.698 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.610 -3.537 1.342 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -6.119 -4.212 2.000 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.710 -1.593 2.011 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.693 -2.710 3.396 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.283 -0.994 3.631 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.986 0.534 5.054 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.075 1.345 5.594 1.00 6.26 C ATOM 1117 C VAL A 70 -7.954 1.612 4.349 1.00 9.22 C ATOM 1118 O VAL A 70 -7.499 2.037 3.346 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.494 2.685 6.141 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.600 3.703 6.304 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.759 2.353 7.454 1.00 8.54 C ATOM 0 H VAL A 70 -5.560 0.939 4.220 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.620 0.872 6.411 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.784 3.140 5.451 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.183 4.635 6.686 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.072 3.886 5.338 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.344 3.323 7.005 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.335 3.265 7.874 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.462 1.919 8.165 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.960 1.640 7.253 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.266 1.398 4.455 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.155 1.926 3.459 1.00 16.06 C ATOM 1133 C LEU A 71 -10.496 3.370 3.669 1.00 18.09 C ATOM 1134 O LEU A 71 -10.552 3.915 4.735 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.354 1.017 3.296 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.083 -0.505 3.101 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.457 -1.227 3.033 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.330 -0.677 1.835 1.00 19.57 C ATOM 0 H LEU A 71 -9.714 0.874 5.207 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.629 1.932 2.505 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.988 1.136 4.175 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.928 1.369 2.439 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.499 -0.925 3.920 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.299 -2.297 2.896 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.004 -1.056 3.960 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.033 -0.835 2.195 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.127 -1.736 1.674 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.921 -0.290 1.005 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.388 -0.132 1.895 1.00 19.57 H new