USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 6 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot -179:sc= 1.14 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.301 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0855) USER MOD Single : A 1 MET N :NH3+ -173:sc= 2.25 (180deg=2.18) USER MOD Single : A 2 GLN : amide:sc= 0.519 K(o=0.52,f=-0.067) USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= 0.903 (180deg=0.777) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.524 K(o=0.52,f=-0.45) USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 1.58 (180deg=-0.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.41) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 41 GLN : amide:sc= 0.537 K(o=0.54,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 55 THR OG1 : rot -62:sc= 0.623 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.481 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 81:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.359 -7.018 -5.266 1.00 9.67 N ATOM 2 CA MET A 1 11.374 -6.908 -3.820 1.00 10.38 C ATOM 3 C MET A 1 10.027 -7.229 -3.180 1.00 9.62 C ATOM 4 O MET A 1 9.016 -6.799 -3.742 1.00 9.62 O ATOM 5 CB MET A 1 11.821 -5.440 -3.415 1.00 13.77 C ATOM 6 CG MET A 1 12.067 -5.387 -1.935 1.00 16.29 C ATOM 7 SD MET A 1 12.690 -3.768 -1.267 1.00 17.17 S ATOM 8 CE MET A 1 11.177 -2.839 -1.462 1.00 16.11 C ATOM 0 H1 MET A 1 12.326 -6.905 -5.633 1.00 9.67 H new ATOM 0 H2 MET A 1 10.992 -7.952 -5.539 1.00 9.67 H new ATOM 0 H3 MET A 1 10.749 -6.276 -5.664 1.00 9.67 H new ATOM 0 HA MET A 1 12.082 -7.648 -3.447 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.725 -5.161 -3.956 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.049 -4.723 -3.693 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.137 -5.634 -1.424 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.787 -6.164 -1.679 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.285 -1.864 -0.987 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.967 -2.704 -2.523 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.355 -3.381 -0.995 1.00 16.11 H new ATOM 20 N GLN A 2 9.909 -7.968 -2.088 1.00 9.27 N ATOM 21 CA GLN A 2 8.671 -8.453 -1.463 1.00 9.07 C ATOM 22 C GLN A 2 8.220 -7.631 -0.264 1.00 8.72 C ATOM 23 O GLN A 2 8.999 -7.431 0.672 1.00 8.22 O ATOM 24 CB GLN A 2 8.823 -9.906 -0.989 1.00 14.46 C ATOM 25 CG GLN A 2 7.526 -10.537 -0.458 1.00 17.01 C ATOM 26 CD GLN A 2 7.760 -12.066 -0.250 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.859 -12.809 -1.220 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.890 -12.514 1.025 1.00 19.49 N ATOM 0 H GLN A 2 10.734 -8.272 -1.570 1.00 9.27 H new ATOM 0 HA GLN A 2 7.918 -8.364 -2.246 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.194 -10.509 -1.818 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.579 -9.943 -0.204 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.235 -10.068 0.482 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.710 -10.372 -1.162 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.801 -11.864 1.806 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.077 -13.501 1.202 1.00 19.49 H new ATOM 37 N ILE A 3 7.012 -7.113 -0.331 1.00 5.87 N ATOM 38 CA ILE A 3 6.486 -6.469 0.871 1.00 5.07 C ATOM 39 C ILE A 3 5.177 -7.166 1.355 1.00 4.01 C ATOM 40 O ILE A 3 4.584 -7.958 0.558 1.00 4.61 O ATOM 41 CB ILE A 3 6.234 -4.984 0.567 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.392 -4.758 -0.701 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.552 -4.299 0.532 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.007 -3.265 -0.825 1.00 10.83 C ATOM 0 H ILE A 3 6.401 -7.117 -1.148 1.00 5.87 H new ATOM 0 HA ILE A 3 7.215 -6.559 1.676 1.00 5.07 H new ATOM 0 HB ILE A 3 5.622 -4.548 1.357 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.954 -5.071 -1.581 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.492 -5.372 -0.663 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.406 -3.240 0.318 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.045 -4.409 1.498 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.173 -4.744 -0.245 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.411 -3.116 -1.726 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.426 -2.965 0.047 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.912 -2.660 -0.884 1.00 10.83 H new ATOM 56 N PHE A 4 4.690 -7.059 2.646 1.00 4.55 N ATOM 57 CA PHE A 4 3.460 -7.724 3.100 1.00 4.68 C ATOM 58 C PHE A 4 2.457 -6.665 3.482 1.00 5.30 C ATOM 59 O PHE A 4 2.796 -5.611 4.028 1.00 5.58 O ATOM 60 CB PHE A 4 3.593 -8.624 4.334 1.00 4.83 C ATOM 61 CG PHE A 4 4.621 -9.711 4.006 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.317 -10.817 3.217 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.954 -9.637 4.508 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.177 -11.888 3.052 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.839 -10.763 4.435 1.00 10.61 C ATOM 66 CZ PHE A 4 6.453 -11.912 3.673 1.00 8.90 C ATOM 0 H PHE A 4 5.151 -6.511 3.372 1.00 4.55 H new ATOM 0 HA PHE A 4 3.171 -8.359 2.262 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.913 -8.043 5.199 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.632 -9.070 4.588 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.364 -10.840 2.709 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.303 -8.716 4.951 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.871 -12.723 2.438 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.788 -10.744 4.950 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.108 -12.765 3.574 1.00 8.90 H new ATOM 76 N VAL A 5 1.175 -6.899 3.118 1.00 4.44 N ATOM 77 CA VAL A 5 0.109 -5.966 3.477 1.00 3.87 C ATOM 78 C VAL A 5 -0.985 -6.692 4.300 1.00 4.93 C ATOM 79 O VAL A 5 -1.412 -7.810 4.026 1.00 6.84 O ATOM 80 CB VAL A 5 -0.568 -5.249 2.256 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.983 -4.690 2.583 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.416 -4.152 1.727 1.00 9.13 C ATOM 0 H VAL A 5 0.868 -7.713 2.586 1.00 4.44 H new ATOM 0 HA VAL A 5 0.597 -5.189 4.066 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.750 -5.980 1.468 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.397 -4.207 1.698 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.636 -5.508 2.888 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.909 -3.963 3.392 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.034 -3.639 0.877 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.618 -3.432 2.520 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.350 -4.620 1.416 1.00 9.13 H new ATOM 92 N LYS A 6 -1.449 -6.012 5.371 1.00 6.04 N ATOM 93 CA LYS A 6 -2.472 -6.485 6.290 1.00 6.12 C ATOM 94 C LYS A 6 -3.668 -5.539 6.208 1.00 6.57 C ATOM 95 O LYS A 6 -3.559 -4.348 6.108 1.00 5.76 O ATOM 96 CB LYS A 6 -1.992 -6.315 7.772 1.00 7.45 C ATOM 97 CG LYS A 6 -0.793 -7.263 7.895 1.00 11.12 C ATOM 98 CD LYS A 6 -1.117 -8.739 7.892 1.00 14.54 C ATOM 99 CE LYS A 6 0.020 -9.648 8.317 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.471 -11.034 8.368 1.00 20.55 N ATOM 0 H LYS A 6 -1.099 -5.086 5.616 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.695 -7.521 6.034 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.707 -5.284 7.982 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.780 -6.577 8.478 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.107 -7.059 7.072 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.262 -7.029 8.818 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.965 -8.910 8.554 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.433 -9.024 6.889 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.849 -9.568 7.614 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.399 -9.346 9.293 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.337 -11.689 8.372 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.033 -11.172 9.232 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.065 -11.223 7.536 1.00 20.55 H new ATOM 114 N THR A 7 -4.882 -6.135 6.115 1.00 7.41 N ATOM 115 CA THR A 7 -6.137 -5.434 6.198 1.00 7.48 C ATOM 116 C THR A 7 -6.631 -5.334 7.574 1.00 8.75 C ATOM 117 O THR A 7 -6.084 -5.958 8.491 1.00 8.58 O ATOM 118 CB THR A 7 -7.261 -6.077 5.296 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.804 -7.333 5.869 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.798 -6.378 3.834 1.00 9.17 C ATOM 0 H THR A 7 -4.992 -7.140 5.977 1.00 7.41 H new ATOM 0 HA THR A 7 -5.922 -4.434 5.823 1.00 7.48 H new ATOM 0 HB THR A 7 -8.038 -5.313 5.269 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.497 -7.691 5.275 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.623 -6.818 3.274 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.487 -5.451 3.353 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.960 -7.075 3.854 1.00 9.17 H new ATOM 128 N LEU A 8 -7.624 -4.502 7.920 1.00 9.84 N ATOM 129 CA LEU A 8 -8.183 -4.422 9.244 1.00 14.15 C ATOM 130 C LEU A 8 -8.702 -5.705 9.741 1.00 17.37 C ATOM 131 O LEU A 8 -8.800 -6.019 10.960 1.00 17.01 O ATOM 132 CB LEU A 8 -9.408 -3.465 9.185 1.00 16.63 C ATOM 133 CG LEU A 8 -8.965 -1.980 9.040 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.166 -1.035 8.952 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.025 -1.534 10.234 1.00 18.59 C ATOM 0 H LEU A 8 -8.059 -3.858 7.259 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.382 -4.089 9.904 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.045 -3.739 8.344 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.006 -3.581 10.089 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.404 -1.915 8.108 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.814 -0.008 8.852 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.773 -1.297 8.085 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.767 -1.126 9.857 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.735 -0.492 10.099 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.559 -1.643 11.178 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.133 -2.160 10.248 1.00 18.59 H new ATOM 147 N THR A 9 -9.114 -6.598 8.811 1.00 18.33 N ATOM 148 CA THR A 9 -9.710 -7.877 9.157 1.00 19.24 C ATOM 149 C THR A 9 -8.636 -8.975 8.976 1.00 19.48 C ATOM 150 O THR A 9 -8.966 -10.175 9.086 1.00 23.14 O ATOM 151 CB THR A 9 -10.982 -8.131 8.415 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.801 -8.016 6.970 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.988 -7.061 8.829 1.00 19.70 C ATOM 0 H THR A 9 -9.036 -6.438 7.807 1.00 18.33 H new ATOM 0 HA THR A 9 -10.021 -7.877 10.202 1.00 19.24 H new ATOM 0 HB THR A 9 -11.318 -9.141 8.650 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.653 -8.190 6.519 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.928 -7.222 8.302 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.160 -7.120 9.904 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.595 -6.076 8.578 1.00 19.70 H new ATOM 161 N GLY A 10 -7.330 -8.553 8.834 1.00 19.43 N ATOM 162 CA GLY A 10 -6.211 -9.395 9.086 1.00 18.74 C ATOM 163 C GLY A 10 -5.851 -10.285 7.912 1.00 17.62 C ATOM 164 O GLY A 10 -5.137 -11.245 8.110 1.00 19.74 O ATOM 0 H GLY A 10 -7.076 -7.610 8.539 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.350 -8.777 9.341 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.423 -10.019 9.954 1.00 18.74 H new ATOM 168 N LYS A 11 -6.317 -9.929 6.669 1.00 13.56 N ATOM 169 CA LYS A 11 -6.004 -10.721 5.447 1.00 11.91 C ATOM 170 C LYS A 11 -4.695 -10.263 4.881 1.00 10.18 C ATOM 171 O LYS A 11 -4.463 -9.099 4.692 1.00 9.10 O ATOM 172 CB LYS A 11 -7.175 -10.590 4.404 1.00 13.43 C ATOM 173 CG LYS A 11 -7.167 -11.481 3.210 1.00 16.69 C ATOM 174 CD LYS A 11 -8.535 -11.564 2.473 1.00 17.92 C ATOM 175 CE LYS A 11 -8.620 -12.722 1.482 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.735 -12.552 0.363 1.00 21.93 N ATOM 0 H LYS A 11 -6.901 -9.110 6.497 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.912 -11.777 5.700 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.112 -10.756 4.935 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.189 -9.560 4.049 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.410 -11.127 2.510 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.871 -12.483 3.519 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.331 -11.667 3.210 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.711 -10.628 1.943 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.379 -13.653 1.994 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.644 -12.813 1.121 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.142 -13.014 -0.475 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.608 -11.538 0.172 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.813 -12.981 0.581 1.00 21.93 H new ATOM 190 N THR A 12 -3.769 -11.235 4.719 1.00 9.63 N ATOM 191 CA THR A 12 -2.406 -11.005 4.308 1.00 9.85 C ATOM 192 C THR A 12 -2.279 -11.031 2.794 1.00 11.66 C ATOM 193 O THR A 12 -2.606 -11.970 2.092 1.00 12.33 O ATOM 194 CB THR A 12 -1.447 -12.085 4.827 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.590 -12.206 6.248 1.00 10.91 O ATOM 196 CG2 THR A 12 0.075 -11.795 4.517 1.00 9.63 C ATOM 0 H THR A 12 -3.976 -12.221 4.880 1.00 9.63 H new ATOM 0 HA THR A 12 -2.144 -10.031 4.721 1.00 9.85 H new ATOM 0 HB THR A 12 -1.720 -13.002 4.305 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.968 -12.885 6.583 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.688 -12.603 4.916 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.220 -11.727 3.439 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.368 -10.854 4.982 1.00 9.63 H new ATOM 204 N ILE A 13 -1.748 -9.935 2.250 1.00 10.42 N ATOM 205 CA ILE A 13 -1.461 -9.694 0.865 1.00 11.84 C ATOM 206 C ILE A 13 0.017 -9.648 0.677 1.00 10.55 C ATOM 207 O ILE A 13 0.698 -8.920 1.385 1.00 11.92 O ATOM 208 CB ILE A 13 -1.990 -8.351 0.331 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.381 -8.129 0.981 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.028 -8.370 -1.244 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.065 -6.869 0.389 1.00 16.46 C ATOM 0 H ILE A 13 -1.492 -9.136 2.830 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.953 -10.502 0.324 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.340 -7.516 0.594 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.010 -9.003 0.814 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.271 -8.017 2.060 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.404 -7.415 -1.610 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.022 -8.537 -1.630 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.684 -9.172 -1.582 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.039 -6.730 0.857 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.443 -5.994 0.579 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.194 -6.996 -0.686 1.00 16.46 H new ATOM 223 N THR A 14 0.512 -10.477 -0.307 1.00 9.39 N ATOM 224 CA THR A 14 1.889 -10.673 -0.527 1.00 9.63 C ATOM 225 C THR A 14 2.102 -10.178 -1.959 1.00 11.20 C ATOM 226 O THR A 14 1.361 -10.607 -2.834 1.00 11.63 O ATOM 227 CB THR A 14 2.365 -12.131 -0.364 1.00 10.38 C ATOM 228 OG1 THR A 14 2.091 -12.588 0.961 1.00 16.30 O ATOM 229 CG2 THR A 14 3.848 -12.319 -0.582 1.00 11.66 C ATOM 0 H THR A 14 -0.084 -11.006 -0.944 1.00 9.39 H new ATOM 0 HA THR A 14 2.476 -10.138 0.220 1.00 9.63 H new ATOM 0 HB THR A 14 1.825 -12.694 -1.125 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.395 -13.515 1.057 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.105 -13.370 -0.450 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.110 -12.006 -1.593 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.401 -11.717 0.139 1.00 11.66 H new ATOM 237 N LEU A 15 3.090 -9.311 -2.177 1.00 8.29 N ATOM 238 CA LEU A 15 3.268 -8.656 -3.428 1.00 9.03 C ATOM 239 C LEU A 15 4.734 -8.701 -3.854 1.00 8.59 C ATOM 240 O LEU A 15 5.617 -8.825 -2.994 1.00 7.79 O ATOM 241 CB LEU A 15 2.774 -7.193 -3.523 1.00 11.08 C ATOM 242 CG LEU A 15 1.312 -6.989 -3.164 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.937 -5.505 -3.054 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.289 -7.450 -4.200 1.00 15.27 C ATOM 0 H LEU A 15 3.782 -9.056 -1.472 1.00 8.29 H new ATOM 0 HA LEU A 15 2.625 -9.225 -4.100 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.385 -6.575 -2.865 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.937 -6.835 -4.539 1.00 11.08 H new ATOM 0 HG LEU A 15 1.259 -7.569 -2.243 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.118 -5.415 -2.796 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.542 -5.033 -2.280 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.120 -5.012 -4.009 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.717 -7.252 -3.831 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.446 -6.908 -5.133 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.407 -8.519 -4.377 1.00 15.27 H new ATOM 256 N GLU A 16 4.930 -8.468 -5.175 1.00 11.04 N ATOM 257 CA GLU A 16 6.283 -8.195 -5.701 1.00 11.50 C ATOM 258 C GLU A 16 6.282 -6.791 -6.137 1.00 10.13 C ATOM 259 O GLU A 16 5.436 -6.432 -6.982 1.00 9.83 O ATOM 260 CB GLU A 16 6.731 -9.091 -6.868 1.00 17.22 C ATOM 261 CG GLU A 16 8.284 -9.216 -6.963 1.00 23.33 C ATOM 262 CD GLU A 16 9.034 -9.908 -5.805 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.464 -10.845 -5.181 1.00 28.90 O ATOM 264 OE2 GLU A 16 10.271 -9.634 -5.596 1.00 28.86 O ATOM 0 H GLU A 16 4.189 -8.464 -5.876 1.00 11.04 H new ATOM 0 HA GLU A 16 6.996 -8.409 -4.904 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.296 -10.083 -6.748 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.344 -8.685 -7.803 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.519 -9.755 -7.881 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.693 -8.211 -7.070 1.00 23.33 H new ATOM 271 N VAL A 17 7.273 -5.970 -5.633 1.00 8.99 N ATOM 272 CA VAL A 17 7.443 -4.579 -5.956 1.00 8.85 C ATOM 273 C VAL A 17 8.860 -4.189 -6.255 1.00 8.04 C ATOM 274 O VAL A 17 9.781 -4.991 -6.113 1.00 8.99 O ATOM 275 CB VAL A 17 6.949 -3.656 -4.770 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.428 -3.797 -4.518 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.712 -3.876 -3.475 1.00 10.54 C ATOM 0 H VAL A 17 7.974 -6.309 -4.975 1.00 8.99 H new ATOM 0 HA VAL A 17 6.846 -4.435 -6.856 1.00 8.85 H new ATOM 0 HB VAL A 17 7.158 -2.638 -5.100 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.134 -3.145 -3.695 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.882 -3.514 -5.418 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.196 -4.831 -4.263 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.321 -3.211 -2.705 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.594 -4.911 -3.154 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.769 -3.664 -3.635 1.00 10.54 H new ATOM 287 N GLU A 18 9.034 -2.901 -6.774 1.00 7.29 N ATOM 288 CA GLU A 18 10.314 -2.354 -7.021 1.00 7.08 C ATOM 289 C GLU A 18 10.381 -1.222 -6.027 1.00 6.45 C ATOM 290 O GLU A 18 9.346 -0.524 -5.878 1.00 5.28 O ATOM 291 CB GLU A 18 10.491 -1.896 -8.424 1.00 10.28 C ATOM 292 CG GLU A 18 10.625 -3.043 -9.491 1.00 12.65 C ATOM 293 CD GLU A 18 11.718 -4.022 -9.364 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.686 -3.889 -8.566 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.657 -4.996 -10.172 1.00 18.17 O ATOM 0 H GLU A 18 8.262 -2.277 -7.007 1.00 7.29 H new ATOM 0 HA GLU A 18 11.117 -3.081 -6.902 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.642 -1.268 -8.694 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.381 -1.269 -8.475 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.687 -3.598 -9.495 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.720 -2.571 -10.469 1.00 12.65 H new ATOM 302 N PRO A 19 11.507 -0.918 -5.376 1.00 7.24 N ATOM 303 CA PRO A 19 11.553 0.282 -4.496 1.00 7.07 C ATOM 304 C PRO A 19 11.012 1.572 -4.961 1.00 6.65 C ATOM 305 O PRO A 19 10.423 2.283 -4.160 1.00 6.37 O ATOM 306 CB PRO A 19 13.073 0.450 -4.227 1.00 7.61 C ATOM 307 CG PRO A 19 13.521 -1.008 -4.263 1.00 8.16 C ATOM 308 CD PRO A 19 12.767 -1.560 -5.492 1.00 7.49 C ATOM 0 HA PRO A 19 10.888 0.079 -3.657 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.565 1.054 -4.989 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.275 0.923 -3.266 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.601 -1.098 -4.376 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.251 -1.538 -3.350 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.269 -1.308 -6.426 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.676 -2.646 -5.462 1.00 7.49 H new ATOM 316 N SER A 20 11.120 1.993 -6.217 1.00 6.80 N ATOM 317 CA SER A 20 10.547 3.170 -6.740 1.00 6.28 C ATOM 318 C SER A 20 9.200 3.006 -7.382 1.00 8.45 C ATOM 319 O SER A 20 8.695 3.905 -8.060 1.00 7.26 O ATOM 320 CB SER A 20 11.563 3.798 -7.720 1.00 8.57 C ATOM 321 OG SER A 20 12.766 4.217 -7.063 1.00 11.13 O ATOM 0 H SER A 20 11.647 1.471 -6.917 1.00 6.80 H new ATOM 0 HA SER A 20 10.343 3.828 -5.895 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.809 3.075 -8.497 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.105 4.654 -8.215 1.00 8.57 H new ATOM 0 HG SER A 20 13.379 4.606 -7.721 1.00 11.13 H new ATOM 327 N ASP A 21 8.448 1.916 -6.994 1.00 7.50 N ATOM 328 CA ASP A 21 7.023 1.877 -7.184 1.00 7.70 C ATOM 329 C ASP A 21 6.319 2.919 -6.302 1.00 7.08 C ATOM 330 O ASP A 21 6.573 3.100 -5.069 1.00 8.11 O ATOM 331 CB ASP A 21 6.319 0.569 -6.947 1.00 11.00 C ATOM 332 CG ASP A 21 6.558 -0.377 -8.110 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.347 0.145 -9.245 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.848 -1.563 -7.886 1.00 14.36 O ATOM 0 H ASP A 21 8.838 1.081 -6.556 1.00 7.50 H new ATOM 0 HA ASP A 21 6.943 2.080 -8.252 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.678 0.117 -6.022 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.250 0.741 -6.823 1.00 11.00 H new ATOM 339 N THR A 22 5.383 3.713 -6.878 1.00 5.37 N ATOM 340 CA THR A 22 4.581 4.730 -6.171 1.00 6.01 C ATOM 341 C THR A 22 3.509 3.992 -5.467 1.00 8.01 C ATOM 342 O THR A 22 3.050 2.944 -5.891 1.00 8.11 O ATOM 343 CB THR A 22 4.073 5.826 -7.065 1.00 8.92 C ATOM 344 OG1 THR A 22 3.406 5.317 -8.199 1.00 10.22 O ATOM 345 CG2 THR A 22 5.193 6.611 -7.673 1.00 9.65 C ATOM 0 H THR A 22 5.163 3.659 -7.873 1.00 5.37 H new ATOM 0 HA THR A 22 5.199 5.276 -5.459 1.00 6.01 H new ATOM 0 HB THR A 22 3.428 6.421 -6.418 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.090 6.060 -8.754 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.784 7.393 -8.312 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.791 7.064 -6.882 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.821 5.948 -8.268 1.00 9.65 H new ATOM 353 N ILE A 23 3.043 4.616 -4.313 1.00 8.32 N ATOM 354 CA ILE A 23 1.854 4.100 -3.638 1.00 9.92 C ATOM 355 C ILE A 23 0.653 3.969 -4.520 1.00 10.01 C ATOM 356 O ILE A 23 -0.210 3.111 -4.303 1.00 8.71 O ATOM 357 CB ILE A 23 1.609 4.957 -2.374 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.837 5.108 -1.470 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.433 4.443 -1.600 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.410 3.750 -1.020 1.00 12.30 C ATOM 0 H ILE A 23 3.472 5.433 -3.877 1.00 8.32 H new ATOM 0 HA ILE A 23 2.040 3.067 -3.343 1.00 9.92 H new ATOM 0 HB ILE A 23 1.389 5.961 -2.737 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.608 5.666 -2.001 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.567 5.694 -0.591 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.281 5.062 -0.716 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.459 4.479 -2.226 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.620 3.414 -1.294 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.278 3.915 -0.382 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.650 3.201 -0.464 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.707 3.173 -1.895 1.00 12.30 H new ATOM 372 N GLU A 24 0.600 4.751 -5.615 1.00 9.54 N ATOM 373 CA GLU A 24 -0.414 4.612 -6.642 1.00 11.81 C ATOM 374 C GLU A 24 -0.310 3.323 -7.463 1.00 11.14 C ATOM 375 O GLU A 24 -1.283 2.689 -7.754 1.00 10.62 O ATOM 376 CB GLU A 24 -0.373 5.884 -7.560 1.00 19.24 C ATOM 377 CG GLU A 24 -1.501 5.932 -8.584 1.00 27.76 C ATOM 378 CD GLU A 24 -1.658 7.265 -9.258 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.932 8.279 -8.573 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.644 7.384 -10.529 1.00 36.51 O ATOM 0 H GLU A 24 1.270 5.497 -5.800 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.378 4.533 -6.140 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.423 6.775 -6.935 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.583 5.914 -8.083 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.321 5.171 -9.344 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.438 5.674 -8.090 1.00 27.76 H new ATOM 387 N ASN A 25 0.911 2.847 -7.767 1.00 9.43 N ATOM 388 CA ASN A 25 1.233 1.518 -8.248 1.00 10.96 C ATOM 389 C ASN A 25 0.931 0.432 -7.257 1.00 9.68 C ATOM 390 O ASN A 25 0.235 -0.525 -7.574 1.00 9.33 O ATOM 391 CB ASN A 25 2.775 1.341 -8.558 1.00 16.78 C ATOM 392 CG ASN A 25 3.212 2.198 -9.790 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.378 2.802 -10.565 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.537 2.236 -9.963 1.00 24.70 N ATOM 0 H ASN A 25 1.743 3.429 -7.672 1.00 9.43 H new ATOM 0 HA ASN A 25 0.615 1.427 -9.141 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.359 1.632 -7.685 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.991 0.290 -8.749 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.935 2.763 -10.740 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.150 1.738 -9.317 1.00 24.70 H new ATOM 401 N VAL A 26 1.384 0.596 -5.958 1.00 6.52 N ATOM 402 CA VAL A 26 1.218 -0.401 -4.922 1.00 5.53 C ATOM 403 C VAL A 26 -0.268 -0.683 -4.782 1.00 4.42 C ATOM 404 O VAL A 26 -0.627 -1.810 -4.699 1.00 3.40 O ATOM 405 CB VAL A 26 1.864 0.091 -3.619 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.551 -0.884 -2.488 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.364 0.204 -3.787 1.00 8.12 C ATOM 0 H VAL A 26 1.868 1.436 -5.641 1.00 6.52 H new ATOM 0 HA VAL A 26 1.720 -1.334 -5.177 1.00 5.53 H new ATOM 0 HB VAL A 26 1.459 1.073 -3.377 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.011 -0.531 -1.565 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.471 -0.950 -2.353 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.946 -1.869 -2.737 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.809 0.554 -2.856 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.776 -0.772 -4.042 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.588 0.912 -4.585 1.00 8.12 H new ATOM 417 N LYS A 27 -1.155 0.357 -4.745 1.00 2.64 N ATOM 418 CA LYS A 27 -2.613 0.187 -4.603 1.00 4.14 C ATOM 419 C LYS A 27 -3.212 -0.440 -5.813 1.00 5.58 C ATOM 420 O LYS A 27 -4.147 -1.215 -5.741 1.00 4.11 O ATOM 421 CB LYS A 27 -3.297 1.512 -4.282 1.00 3.97 C ATOM 422 CG LYS A 27 -2.835 2.118 -2.929 1.00 7.45 C ATOM 423 CD LYS A 27 -3.545 3.456 -2.558 1.00 9.02 C ATOM 424 CE LYS A 27 -3.691 4.553 -3.706 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.508 5.728 -3.278 1.00 15.47 N ATOM 0 H LYS A 27 -0.866 1.333 -4.814 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.779 -0.489 -3.764 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.093 2.224 -5.082 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.376 1.361 -4.257 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.015 1.391 -2.137 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.759 2.288 -2.967 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.543 3.217 -2.192 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.001 3.907 -1.728 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.700 4.894 -4.005 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -4.150 4.097 -4.583 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -5.085 6.059 -4.077 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.131 5.450 -2.493 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.878 6.494 -2.965 1.00 15.47 H new ATOM 439 N ALA A 28 -2.713 -0.147 -7.039 1.00 6.61 N ATOM 440 CA ALA A 28 -2.999 -0.924 -8.228 1.00 7.74 C ATOM 441 C ALA A 28 -2.499 -2.403 -8.326 1.00 9.17 C ATOM 442 O ALA A 28 -3.122 -3.143 -9.066 1.00 11.45 O ATOM 443 CB ALA A 28 -2.607 -0.068 -9.484 1.00 7.68 C ATOM 0 H ALA A 28 -2.097 0.647 -7.211 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.071 -1.114 -8.169 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.815 -0.636 -10.391 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -3.189 0.854 -9.492 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.545 0.173 -9.443 1.00 7.68 H new ATOM 449 N LYS A 29 -1.405 -2.802 -7.592 1.00 8.96 N ATOM 450 CA LYS A 29 -0.961 -4.176 -7.336 1.00 7.90 C ATOM 451 C LYS A 29 -1.859 -4.939 -6.378 1.00 6.92 C ATOM 452 O LYS A 29 -2.057 -6.114 -6.607 1.00 6.87 O ATOM 453 CB LYS A 29 0.540 -4.135 -6.933 1.00 10.28 C ATOM 454 CG LYS A 29 1.464 -3.634 -8.061 1.00 14.94 C ATOM 455 CD LYS A 29 2.965 -3.835 -7.714 1.00 19.69 C ATOM 456 CE LYS A 29 3.974 -3.127 -8.629 1.00 22.63 C ATOM 457 NZ LYS A 29 4.207 -3.908 -9.853 1.00 24.98 N ATOM 0 H LYS A 29 -0.791 -2.118 -7.149 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.052 -4.764 -8.249 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.657 -3.488 -6.063 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.855 -5.134 -6.632 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.231 -4.165 -8.984 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.272 -2.577 -8.244 1.00 14.94 H new ATOM 0 HD2 LYS A 29 3.129 -3.491 -6.693 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.180 -4.903 -7.729 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.602 -2.136 -8.890 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.915 -2.985 -8.098 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.892 -3.411 -10.457 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.583 -4.844 -9.601 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.311 -4.022 -10.368 1.00 24.98 H new ATOM 471 N ILE A 30 -2.392 -4.264 -5.320 1.00 4.57 N ATOM 472 CA ILE A 30 -3.412 -4.712 -4.338 1.00 5.58 C ATOM 473 C ILE A 30 -4.783 -4.933 -5.051 1.00 7.26 C ATOM 474 O ILE A 30 -5.439 -5.906 -4.743 1.00 9.46 O ATOM 475 CB ILE A 30 -3.540 -3.680 -3.191 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.195 -3.637 -2.391 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.731 -4.119 -2.265 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.246 -2.623 -1.222 1.00 2.00 C ATOM 0 H ILE A 30 -2.090 -3.311 -5.119 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.097 -5.661 -3.905 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.740 -2.682 -3.582 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.974 -4.630 -2.000 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.381 -3.372 -3.065 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.840 -3.405 -1.449 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.652 -4.148 -2.847 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.528 -5.109 -1.856 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.292 -2.627 -0.695 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.440 -1.625 -1.614 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.042 -2.903 -0.532 1.00 2.00 H new ATOM 490 N GLN A 31 -5.226 -4.055 -6.014 1.00 7.06 N ATOM 491 CA GLN A 31 -6.431 -4.179 -6.821 1.00 8.67 C ATOM 492 C GLN A 31 -6.436 -5.537 -7.577 1.00 10.90 C ATOM 493 O GLN A 31 -7.440 -6.246 -7.622 1.00 9.63 O ATOM 494 CB GLN A 31 -6.430 -3.075 -7.830 1.00 9.12 C ATOM 495 CG GLN A 31 -7.772 -3.113 -8.653 1.00 10.76 C ATOM 496 CD GLN A 31 -7.909 -2.057 -9.678 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.063 -1.637 -9.972 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.767 -1.591 -10.249 1.00 14.76 N ATOM 0 H GLN A 31 -4.704 -3.207 -6.237 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.308 -4.125 -6.176 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.325 -2.112 -7.331 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.577 -3.182 -8.500 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.853 -4.084 -9.141 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.608 -3.034 -7.958 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.864 -1.972 -9.968 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.813 -0.860 -10.959 1.00 14.76 H new ATOM 507 N ASP A 32 -5.269 -5.896 -8.148 1.00 10.93 N ATOM 508 CA ASP A 32 -5.123 -7.194 -8.823 1.00 14.01 C ATOM 509 C ASP A 32 -5.371 -8.380 -7.875 1.00 14.04 C ATOM 510 O ASP A 32 -5.845 -9.422 -8.361 1.00 13.39 O ATOM 511 CB ASP A 32 -3.724 -7.310 -9.492 1.00 18.01 C ATOM 512 CG ASP A 32 -3.731 -8.314 -10.627 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.385 -8.072 -11.656 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.983 -9.321 -10.601 1.00 26.29 O ATOM 0 H ASP A 32 -4.430 -5.315 -8.154 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.890 -7.239 -9.597 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.419 -6.334 -9.870 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.987 -7.608 -8.746 1.00 18.01 H new ATOM 519 N LYS A 33 -4.961 -8.321 -6.574 1.00 14.22 N ATOM 520 CA LYS A 33 -5.200 -9.330 -5.677 1.00 14.00 C ATOM 521 C LYS A 33 -6.674 -9.316 -5.138 1.00 12.37 C ATOM 522 O LYS A 33 -7.431 -10.285 -5.369 1.00 12.17 O ATOM 523 CB LYS A 33 -4.188 -9.093 -4.512 1.00 18.62 C ATOM 524 CG LYS A 33 -2.725 -9.184 -4.973 1.00 24.00 C ATOM 525 CD LYS A 33 -2.289 -10.563 -5.554 1.00 27.61 C ATOM 526 CE LYS A 33 -0.753 -10.803 -5.327 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.299 -12.046 -6.078 1.00 30.06 N ATOM 0 H LYS A 33 -4.452 -7.529 -6.180 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.073 -10.304 -6.150 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.367 -8.111 -4.074 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.364 -9.829 -3.727 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.553 -8.419 -5.731 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.080 -8.946 -4.127 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.860 -11.360 -5.079 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.514 -10.601 -6.620 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.188 -9.936 -5.669 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.549 -10.917 -4.262 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.718 -12.195 -5.920 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.827 -12.873 -5.733 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.477 -11.922 -7.095 1.00 30.06 H new ATOM 541 N GLU A 34 -7.102 -8.238 -4.496 1.00 10.11 N ATOM 542 CA GLU A 34 -8.334 -8.207 -3.711 1.00 10.07 C ATOM 543 C GLU A 34 -9.488 -7.480 -4.412 1.00 9.32 C ATOM 544 O GLU A 34 -10.630 -7.526 -3.949 1.00 11.61 O ATOM 545 CB GLU A 34 -8.186 -7.642 -2.306 1.00 14.77 C ATOM 546 CG GLU A 34 -7.077 -8.319 -1.466 1.00 18.75 C ATOM 547 CD GLU A 34 -7.220 -9.838 -1.435 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.162 -10.246 -0.704 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.506 -10.651 -2.096 1.00 25.19 O ATOM 0 H GLU A 34 -6.600 -7.350 -4.504 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.575 -9.266 -3.620 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.974 -6.575 -2.376 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.137 -7.744 -1.783 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.102 -8.056 -1.876 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.109 -7.932 -0.447 1.00 18.75 H new ATOM 556 N GLY A 35 -9.339 -6.891 -5.594 1.00 7.22 N ATOM 557 CA GLY A 35 -10.422 -6.314 -6.408 1.00 6.29 C ATOM 558 C GLY A 35 -10.969 -5.016 -5.917 1.00 6.93 C ATOM 559 O GLY A 35 -12.107 -4.608 -6.192 1.00 7.41 O ATOM 0 H GLY A 35 -8.425 -6.795 -6.036 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.054 -6.173 -7.424 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.237 -7.036 -6.462 1.00 6.29 H new ATOM 563 N ILE A 36 -10.226 -4.350 -5.071 1.00 5.86 N ATOM 564 CA ILE A 36 -10.604 -3.036 -4.502 1.00 6.07 C ATOM 565 C ILE A 36 -9.959 -2.043 -5.441 1.00 6.36 C ATOM 566 O ILE A 36 -8.758 -2.172 -5.675 1.00 6.18 O ATOM 567 CB ILE A 36 -9.991 -2.859 -3.121 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.296 -4.034 -2.243 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.521 -1.509 -2.589 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.415 -4.078 -0.941 1.00 9.49 C ATOM 0 H ILE A 36 -9.324 -4.691 -4.739 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.684 -2.923 -4.405 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.902 -2.828 -3.147 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.349 -4.006 -1.961 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.142 -4.953 -2.809 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.114 -1.325 -1.595 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.215 -0.707 -3.261 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.609 -1.541 -2.535 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.685 -4.952 -0.349 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.362 -4.137 -1.216 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.587 -3.175 -0.355 1.00 9.49 H new ATOM 582 N PRO A 37 -10.654 -1.062 -6.049 1.00 8.65 N ATOM 583 CA PRO A 37 -10.051 0.037 -6.760 1.00 9.18 C ATOM 584 C PRO A 37 -8.900 0.729 -6.045 1.00 9.85 C ATOM 585 O PRO A 37 -9.091 0.997 -4.849 1.00 8.51 O ATOM 586 CB PRO A 37 -11.295 0.953 -7.036 1.00 11.42 C ATOM 587 CG PRO A 37 -12.431 -0.080 -7.277 1.00 9.27 C ATOM 588 CD PRO A 37 -12.120 -1.040 -6.182 1.00 8.33 C ATOM 0 HA PRO A 37 -9.529 -0.280 -7.663 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.513 1.605 -6.191 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.141 1.595 -7.903 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.424 0.359 -7.181 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.379 -0.538 -8.265 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.590 -0.729 -5.249 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.503 -2.033 -6.416 1.00 8.33 H new ATOM 596 N PRO A 38 -7.800 1.206 -6.615 1.00 8.71 N ATOM 597 CA PRO A 38 -6.751 1.947 -5.810 1.00 9.08 C ATOM 598 C PRO A 38 -7.256 3.280 -5.285 1.00 9.28 C ATOM 599 O PRO A 38 -6.766 3.703 -4.223 1.00 6.50 O ATOM 600 CB PRO A 38 -5.712 2.240 -6.798 1.00 10.31 C ATOM 601 CG PRO A 38 -6.386 2.121 -8.176 1.00 10.81 C ATOM 602 CD PRO A 38 -7.494 1.072 -8.013 1.00 12.00 C ATOM 0 HA PRO A 38 -6.436 1.358 -4.949 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.304 3.240 -6.649 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.881 1.540 -6.709 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.799 3.079 -8.493 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.668 1.816 -8.937 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.357 1.283 -8.645 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.151 0.068 -8.265 1.00 12.00 H new ATOM 610 N ASP A 39 -8.172 3.955 -5.930 1.00 11.20 N ATOM 611 CA ASP A 39 -8.716 5.241 -5.435 1.00 14.96 C ATOM 612 C ASP A 39 -9.848 5.062 -4.425 1.00 13.99 C ATOM 613 O ASP A 39 -10.373 6.034 -3.874 1.00 13.75 O ATOM 614 CB ASP A 39 -9.529 6.024 -6.556 1.00 24.16 C ATOM 615 CG ASP A 39 -8.587 6.468 -7.630 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.808 7.374 -7.322 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.673 5.899 -8.749 1.00 35.55 O ATOM 0 H ASP A 39 -8.577 3.648 -6.815 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.824 5.738 -5.054 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.302 5.381 -6.977 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.034 6.886 -6.120 1.00 24.16 H new ATOM 622 N GLN A 40 -10.155 3.823 -3.973 1.00 11.60 N ATOM 623 CA GLN A 40 -10.931 3.474 -2.805 1.00 10.76 C ATOM 624 C GLN A 40 -9.984 2.837 -1.672 1.00 8.01 C ATOM 625 O GLN A 40 -10.467 2.373 -0.672 1.00 8.96 O ATOM 626 CB GLN A 40 -12.021 2.372 -3.142 1.00 11.14 C ATOM 627 CG GLN A 40 -13.215 2.342 -2.232 1.00 14.85 C ATOM 628 CD GLN A 40 -14.216 1.185 -2.461 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.384 0.791 -3.602 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.918 0.748 -1.378 1.00 18.16 N ATOM 0 H GLN A 40 -9.832 2.992 -4.468 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.406 4.393 -2.463 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.368 2.530 -4.163 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.542 1.393 -3.116 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.861 2.290 -1.203 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.751 3.285 -2.338 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.717 1.128 -0.453 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.644 0.041 -1.492 1.00 18.16 H new ATOM 639 N GLN A 41 -8.640 2.928 -1.886 1.00 6.52 N ATOM 640 CA GLN A 41 -7.519 2.477 -1.023 1.00 3.87 C ATOM 641 C GLN A 41 -6.645 3.569 -0.428 1.00 4.79 C ATOM 642 O GLN A 41 -6.400 4.563 -1.071 1.00 6.34 O ATOM 643 CB GLN A 41 -6.585 1.522 -1.813 1.00 4.20 C ATOM 644 CG GLN A 41 -7.251 0.207 -2.218 1.00 3.20 C ATOM 645 CD GLN A 41 -6.300 -0.714 -2.988 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.128 -0.773 -2.659 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.756 -1.531 -3.951 1.00 7.13 N ATOM 0 H GLN A 41 -8.288 3.357 -2.742 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.023 1.991 -0.188 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.233 2.032 -2.710 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.707 1.302 -1.206 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.607 -0.307 -1.325 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.125 0.420 -2.834 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.735 -1.490 -4.234 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -6.123 -2.193 -4.400 1.00 7.13 H new ATOM 656 N ARG A 42 -6.072 3.306 0.722 1.00 5.73 N ATOM 657 CA ARG A 42 -4.953 4.117 1.258 1.00 6.97 C ATOM 658 C ARG A 42 -4.010 3.153 2.114 1.00 7.15 C ATOM 659 O ARG A 42 -4.373 2.103 2.708 1.00 7.33 O ATOM 660 CB ARG A 42 -5.315 5.308 2.134 1.00 13.23 C ATOM 661 CG ARG A 42 -5.963 6.424 1.183 1.00 21.27 C ATOM 662 CD ARG A 42 -5.673 7.830 1.787 1.00 26.14 C ATOM 663 NE ARG A 42 -6.365 8.743 0.925 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.660 9.191 1.126 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.378 8.726 2.136 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.169 10.031 0.283 1.00 36.39 N ATOM 0 H ARG A 42 -6.351 2.533 1.326 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.480 4.550 0.377 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.018 5.012 2.913 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.430 5.698 2.636 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.546 6.352 0.178 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.038 6.266 1.094 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.034 7.903 2.813 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.603 8.039 1.809 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.867 9.088 0.104 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.978 8.035 2.770 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.331 9.059 2.280 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.618 10.352 -0.513 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.121 10.372 0.415 1.00 36.39 H new ATOM 680 N LEU A 43 -2.703 3.592 2.292 1.00 4.65 N ATOM 681 CA LEU A 43 -1.641 2.797 2.890 1.00 3.51 C ATOM 682 C LEU A 43 -0.928 3.466 4.112 1.00 5.56 C ATOM 683 O LEU A 43 -0.726 4.668 4.193 1.00 4.19 O ATOM 684 CB LEU A 43 -0.567 2.376 1.831 1.00 3.74 C ATOM 685 CG LEU A 43 -1.015 1.128 1.015 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.026 0.555 0.150 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.634 -0.070 1.733 1.00 6.41 C ATOM 0 H LEU A 43 -2.394 4.522 2.009 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.156 1.916 3.273 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.382 3.207 1.151 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.375 2.161 2.335 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.812 1.631 0.468 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.376 -0.309 -0.379 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.352 1.304 -0.572 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.875 0.245 0.759 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.883 -0.842 1.005 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.922 -0.469 2.455 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.539 0.245 2.252 1.00 6.41 H new ATOM 699 N ILE A 44 -0.685 2.617 5.128 1.00 4.58 N ATOM 700 CA ILE A 44 -0.083 2.948 6.420 1.00 5.55 C ATOM 701 C ILE A 44 1.273 2.140 6.493 1.00 5.46 C ATOM 702 O ILE A 44 1.378 0.915 6.226 1.00 6.04 O ATOM 703 CB ILE A 44 -0.995 2.590 7.588 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.363 3.259 7.441 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.363 3.004 8.969 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.437 4.740 7.435 1.00 13.90 C ATOM 0 H ILE A 44 -0.919 1.627 5.059 1.00 4.58 H new ATOM 0 HA ILE A 44 0.084 4.022 6.498 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.117 1.507 7.571 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.806 2.903 6.511 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.995 2.900 8.254 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.043 2.732 9.776 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.586 2.486 9.104 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.194 4.081 8.984 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.475 5.052 7.323 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.041 5.128 8.373 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.849 5.130 6.604 1.00 13.90 H new ATOM 718 N PHE A 45 2.382 2.823 6.833 1.00 6.75 N ATOM 719 CA PHE A 45 3.611 2.215 7.241 1.00 4.70 C ATOM 720 C PHE A 45 4.064 2.974 8.490 1.00 6.34 C ATOM 721 O PHE A 45 4.120 4.171 8.473 1.00 5.45 O ATOM 722 CB PHE A 45 4.725 2.264 6.130 1.00 5.51 C ATOM 723 CG PHE A 45 6.011 1.564 6.555 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.011 0.180 6.776 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.246 2.219 6.787 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.131 -0.537 7.171 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.369 1.591 7.283 1.00 6.64 C ATOM 728 CZ PHE A 45 8.311 0.190 7.493 1.00 6.84 C ATOM 0 H PHE A 45 2.423 3.842 6.823 1.00 6.75 H new ATOM 0 HA PHE A 45 3.450 1.155 7.436 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.346 1.798 5.220 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.945 3.304 5.888 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.086 -0.359 6.631 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.312 3.273 6.562 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.108 -1.615 7.232 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.266 2.150 7.505 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.167 -0.328 7.900 1.00 6.84 H new ATOM 738 N ALA A 46 4.407 2.258 9.609 1.00 6.53 N ATOM 739 CA ALA A 46 5.123 2.841 10.775 1.00 7.15 C ATOM 740 C ALA A 46 4.302 3.943 11.445 1.00 9.00 C ATOM 741 O ALA A 46 4.846 4.915 11.959 1.00 11.15 O ATOM 742 CB ALA A 46 6.570 3.257 10.336 1.00 8.99 C ATOM 0 H ALA A 46 4.192 1.267 9.719 1.00 6.53 H new ATOM 0 HA ALA A 46 5.243 2.095 11.561 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.099 3.685 11.187 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.108 2.379 9.978 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.509 3.996 9.537 1.00 8.99 H new ATOM 748 N GLY A 47 2.959 3.771 11.493 1.00 9.35 N ATOM 749 CA GLY A 47 1.999 4.813 12.045 1.00 11.68 C ATOM 750 C GLY A 47 1.705 5.873 11.137 1.00 11.14 C ATOM 751 O GLY A 47 0.842 6.654 11.477 1.00 13.93 O ATOM 0 H GLY A 47 2.495 2.926 11.160 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.068 4.321 12.326 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.423 5.236 12.956 1.00 11.68 H new ATOM 755 N LYS A 48 2.297 5.985 9.937 1.00 10.47 N ATOM 756 CA LYS A 48 2.126 7.104 9.039 1.00 8.82 C ATOM 757 C LYS A 48 1.378 6.809 7.737 1.00 7.68 C ATOM 758 O LYS A 48 1.533 5.726 7.144 1.00 6.47 O ATOM 759 CB LYS A 48 3.535 7.628 8.695 1.00 9.74 C ATOM 760 CG LYS A 48 3.677 8.702 7.573 1.00 14.14 C ATOM 761 CD LYS A 48 5.027 9.340 7.459 1.00 16.32 C ATOM 762 CE LYS A 48 5.066 10.671 6.601 1.00 20.04 C ATOM 763 NZ LYS A 48 6.353 11.379 6.720 1.00 23.92 N ATOM 0 H LYS A 48 2.924 5.270 9.568 1.00 10.47 H new ATOM 0 HA LYS A 48 1.500 7.828 9.561 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.966 8.042 9.606 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.147 6.771 8.413 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.431 8.239 6.617 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.938 9.484 7.747 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.394 9.560 8.461 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.717 8.620 7.018 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.882 10.430 5.554 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.260 11.331 6.923 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.329 12.243 6.141 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.518 11.634 7.715 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.121 10.761 6.388 1.00 23.92 H new ATOM 777 N GLN A 49 0.377 7.672 7.411 1.00 8.89 N ATOM 778 CA GLN A 49 -0.279 7.493 6.149 1.00 7.18 C ATOM 779 C GLN A 49 0.619 7.865 4.968 1.00 8.23 C ATOM 780 O GLN A 49 1.282 8.923 4.992 1.00 9.70 O ATOM 781 CB GLN A 49 -1.551 8.387 6.204 1.00 11.67 C ATOM 782 CG GLN A 49 -2.325 8.089 4.933 1.00 15.82 C ATOM 783 CD GLN A 49 -3.659 8.728 4.893 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.662 8.060 5.033 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.634 10.063 4.617 1.00 20.67 N ATOM 0 H GLN A 49 0.043 8.445 7.986 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.531 6.445 5.989 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.149 8.162 7.087 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.284 9.442 6.260 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.743 8.426 4.075 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.444 7.010 4.834 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.741 10.546 4.515 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.508 10.579 4.512 1.00 20.67 H new ATOM 794 N LEU A 50 0.638 7.040 3.923 1.00 6.51 N ATOM 795 CA LEU A 50 1.546 7.242 2.795 1.00 7.41 C ATOM 796 C LEU A 50 0.910 8.030 1.655 1.00 8.27 C ATOM 797 O LEU A 50 -0.295 8.115 1.492 1.00 8.34 O ATOM 798 CB LEU A 50 2.095 5.898 2.268 1.00 7.13 C ATOM 799 CG LEU A 50 2.682 4.956 3.448 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.438 3.869 2.699 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.667 5.615 4.419 1.00 9.11 C ATOM 0 H LEU A 50 0.033 6.223 3.834 1.00 6.51 H new ATOM 0 HA LEU A 50 2.374 7.838 3.180 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.300 5.366 1.745 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.882 6.092 1.539 1.00 7.13 H new ATOM 0 HG LEU A 50 1.850 4.638 4.076 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.878 3.173 3.414 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.751 3.332 2.045 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.228 4.322 2.101 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.989 4.885 5.162 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.534 5.978 3.867 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.180 6.452 4.920 1.00 9.11 H new ATOM 813 N GLU A 51 1.750 8.683 0.801 1.00 9.43 N ATOM 814 CA GLU A 51 1.218 9.576 -0.223 1.00 11.90 C ATOM 815 C GLU A 51 1.183 8.930 -1.551 1.00 11.49 C ATOM 816 O GLU A 51 2.089 8.277 -1.979 1.00 9.88 O ATOM 817 CB GLU A 51 1.717 11.007 -0.194 1.00 16.56 C ATOM 818 CG GLU A 51 1.668 11.646 1.184 1.00 26.06 C ATOM 819 CD GLU A 51 2.087 13.165 1.133 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.507 13.882 0.258 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.947 13.604 1.913 1.00 33.44 O ATOM 0 H GLU A 51 2.767 8.600 0.814 1.00 9.43 H new ATOM 0 HA GLU A 51 0.176 9.740 0.054 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.744 11.031 -0.559 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.119 11.604 -0.883 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.660 11.559 1.591 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.332 11.107 1.860 1.00 26.06 H new ATOM 828 N ASP A 52 0.075 9.231 -2.226 1.00 12.71 N ATOM 829 CA ASP A 52 -0.145 8.613 -3.513 1.00 16.56 C ATOM 830 C ASP A 52 0.990 8.632 -4.608 1.00 15.83 C ATOM 831 O ASP A 52 1.271 7.650 -5.289 1.00 17.21 O ATOM 832 CB ASP A 52 -1.441 9.125 -4.207 1.00 21.05 C ATOM 833 CG ASP A 52 -2.594 9.122 -3.267 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.059 7.982 -2.998 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.155 10.154 -2.865 1.00 25.82 O ATOM 0 H ASP A 52 -0.652 9.874 -1.912 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.198 7.577 -3.177 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.279 10.135 -4.585 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.669 8.496 -5.067 1.00 21.05 H new ATOM 840 N GLY A 53 1.662 9.779 -4.821 1.00 15.00 N ATOM 841 CA GLY A 53 2.740 9.988 -5.755 1.00 11.77 C ATOM 842 C GLY A 53 4.119 9.699 -5.208 1.00 11.10 C ATOM 843 O GLY A 53 5.104 9.866 -5.893 1.00 11.25 O ATOM 0 H GLY A 53 1.437 10.628 -4.302 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.572 9.358 -6.629 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.710 11.022 -6.097 1.00 11.77 H new ATOM 847 N ARG A 54 4.187 9.262 -3.974 1.00 8.53 N ATOM 848 CA ARG A 54 5.419 8.996 -3.305 1.00 9.05 C ATOM 849 C ARG A 54 5.821 7.553 -3.470 1.00 8.96 C ATOM 850 O ARG A 54 5.009 6.655 -3.695 1.00 11.60 O ATOM 851 CB ARG A 54 5.421 9.411 -1.822 1.00 7.97 C ATOM 852 CG ARG A 54 5.249 10.891 -1.564 1.00 9.62 C ATOM 853 CD ARG A 54 6.408 11.820 -2.065 1.00 12.20 C ATOM 854 NE ARG A 54 5.998 13.210 -1.833 1.00 18.23 N ATOM 855 CZ ARG A 54 6.866 14.215 -1.585 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.163 14.121 -1.804 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.384 15.365 -1.061 1.00 23.38 N ATOM 0 H ARG A 54 3.363 9.080 -3.401 1.00 8.53 H new ATOM 0 HA ARG A 54 6.166 9.626 -3.788 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.622 8.875 -1.311 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.360 9.088 -1.373 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.322 11.216 -2.036 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.130 11.040 -0.491 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.332 11.600 -1.531 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.603 11.651 -3.124 1.00 12.20 H new ATOM 0 HE ARG A 54 5.002 13.429 -1.861 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.556 13.257 -2.179 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.774 14.912 -1.599 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.388 15.457 -0.863 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.017 16.140 -0.864 1.00 23.38 H new ATOM 871 N THR A 55 7.072 7.194 -3.309 1.00 9.05 N ATOM 872 CA THR A 55 7.495 5.828 -3.499 1.00 9.03 C ATOM 873 C THR A 55 7.775 5.118 -2.179 1.00 8.15 C ATOM 874 O THR A 55 8.063 5.705 -1.145 1.00 5.91 O ATOM 875 CB THR A 55 8.736 5.683 -4.375 1.00 11.15 C ATOM 876 OG1 THR A 55 9.925 6.201 -3.746 1.00 11.95 O ATOM 877 CG2 THR A 55 8.495 6.442 -5.667 1.00 11.71 C ATOM 0 H THR A 55 7.820 7.835 -3.045 1.00 9.05 H new ATOM 0 HA THR A 55 6.650 5.364 -4.007 1.00 9.03 H new ATOM 0 HB THR A 55 8.900 4.620 -4.552 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.819 7.162 -3.587 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.370 6.352 -6.310 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.626 6.026 -6.177 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.315 7.494 -5.443 1.00 11.71 H new ATOM 885 N LEU A 56 7.758 3.766 -2.173 1.00 6.91 N ATOM 886 CA LEU A 56 8.281 2.837 -1.150 1.00 8.29 C ATOM 887 C LEU A 56 9.672 3.245 -0.707 1.00 8.05 C ATOM 888 O LEU A 56 10.090 3.184 0.477 1.00 10.17 O ATOM 889 CB LEU A 56 8.291 1.415 -1.667 1.00 6.60 C ATOM 890 CG LEU A 56 6.858 0.768 -1.863 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.974 -0.435 -2.763 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.167 0.428 -0.533 1.00 8.64 C ATOM 0 H LEU A 56 7.342 3.255 -2.951 1.00 6.91 H new ATOM 0 HA LEU A 56 7.617 2.886 -0.287 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.817 1.394 -2.622 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.862 0.796 -0.975 1.00 6.60 H new ATOM 0 HG LEU A 56 6.214 1.508 -2.338 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.990 -0.883 -2.900 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.371 -0.129 -3.731 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.645 -1.165 -2.310 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.190 -0.012 -0.733 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.778 -0.283 0.023 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.042 1.337 0.055 1.00 8.64 H new ATOM 904 N SER A 57 10.554 3.670 -1.628 1.00 8.92 N ATOM 905 CA SER A 57 11.837 4.236 -1.438 1.00 9.00 C ATOM 906 C SER A 57 11.944 5.460 -0.520 1.00 9.44 C ATOM 907 O SER A 57 12.740 5.585 0.388 1.00 10.91 O ATOM 908 CB SER A 57 12.547 4.630 -2.733 1.00 10.32 C ATOM 909 OG SER A 57 13.942 4.910 -2.543 1.00 13.59 O ATOM 0 H SER A 57 10.329 3.604 -2.621 1.00 8.92 H new ATOM 0 HA SER A 57 12.317 3.391 -0.945 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.439 3.825 -3.460 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.060 5.509 -3.156 1.00 10.32 H new ATOM 0 HG SER A 57 14.346 5.155 -3.401 1.00 13.59 H new ATOM 915 N ASP A 58 11.037 6.382 -0.754 1.00 9.11 N ATOM 916 CA ASP A 58 10.931 7.648 0.011 1.00 7.91 C ATOM 917 C ASP A 58 10.736 7.462 1.497 1.00 9.12 C ATOM 918 O ASP A 58 11.295 8.240 2.352 1.00 8.61 O ATOM 919 CB ASP A 58 9.771 8.513 -0.510 1.00 8.41 C ATOM 920 CG ASP A 58 10.029 9.031 -1.888 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.813 10.006 -2.047 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.368 8.476 -2.857 1.00 11.70 O ATOM 0 H ASP A 58 10.333 6.292 -1.487 1.00 9.11 H new ATOM 0 HA ASP A 58 11.892 8.139 -0.142 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.853 7.925 -0.510 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.612 9.352 0.168 1.00 8.41 H new ATOM 927 N TYR A 59 9.987 6.416 1.909 1.00 7.97 N ATOM 928 CA TYR A 59 9.659 6.141 3.258 1.00 8.45 C ATOM 929 C TYR A 59 10.606 5.116 3.772 1.00 10.98 C ATOM 930 O TYR A 59 10.551 4.717 4.917 1.00 12.95 O ATOM 931 CB TYR A 59 8.182 5.543 3.420 1.00 7.94 C ATOM 932 CG TYR A 59 7.201 6.505 2.906 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.929 7.686 3.627 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.547 6.327 1.704 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.992 8.649 3.151 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.590 7.264 1.218 1.00 6.52 C ATOM 937 CZ TYR A 59 5.316 8.423 1.947 1.00 6.76 C ATOM 938 OH TYR A 59 4.472 9.417 1.473 1.00 7.63 O ATOM 0 H TYR A 59 9.596 5.735 1.258 1.00 7.97 H new ATOM 0 HA TYR A 59 9.717 7.081 3.806 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.099 4.600 2.879 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.979 5.327 4.469 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.442 7.865 4.560 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.767 5.450 1.113 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.805 9.549 3.717 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.077 7.078 0.286 1.00 6.52 H new ATOM 0 HH TYR A 59 4.802 10.293 1.764 1.00 7.63 H new ATOM 948 N ASN A 60 11.575 4.709 2.930 1.00 12.38 N ATOM 949 CA ASN A 60 12.640 3.712 3.154 1.00 13.94 C ATOM 950 C ASN A 60 12.177 2.332 3.448 1.00 14.16 C ATOM 951 O ASN A 60 12.722 1.599 4.264 1.00 14.26 O ATOM 952 CB ASN A 60 13.649 4.088 4.198 1.00 19.23 C ATOM 953 CG ASN A 60 14.214 5.545 3.924 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.896 6.407 4.776 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.787 5.848 2.747 1.00 24.09 N ATOM 0 H ASN A 60 11.638 5.105 1.992 1.00 12.38 H new ATOM 0 HA ASN A 60 13.116 3.716 2.174 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.191 4.049 5.186 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.467 3.368 4.198 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.984 6.821 2.511 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.025 5.105 2.090 1.00 24.09 H new ATOM 962 N ILE A 61 11.148 1.891 2.766 1.00 11.08 N ATOM 963 CA ILE A 61 10.580 0.566 2.969 1.00 11.78 C ATOM 964 C ILE A 61 11.467 -0.474 2.294 1.00 13.74 C ATOM 965 O ILE A 61 12.045 -0.228 1.240 1.00 14.60 O ATOM 966 CB ILE A 61 9.134 0.562 2.520 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.365 1.330 3.530 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.583 -0.895 2.488 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.895 1.585 3.258 1.00 11.42 C ATOM 0 H ILE A 61 10.673 2.439 2.049 1.00 11.08 H new ATOM 0 HA ILE A 61 10.560 0.295 4.025 1.00 11.78 H new ATOM 0 HB ILE A 61 9.047 0.994 1.523 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.443 0.803 4.481 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.854 2.296 3.659 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.542 -0.883 2.164 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.173 -1.492 1.793 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.647 -1.330 3.485 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.466 2.156 4.081 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.789 2.149 2.331 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.372 0.633 3.166 1.00 11.42 H new ATOM 981 N GLN A 62 11.625 -1.710 2.857 1.00 13.97 N ATOM 982 CA GLN A 62 12.679 -2.715 2.499 1.00 15.52 C ATOM 983 C GLN A 62 11.956 -4.035 2.357 1.00 13.94 C ATOM 984 O GLN A 62 10.748 -4.202 2.449 1.00 12.15 O ATOM 985 CB GLN A 62 13.730 -2.818 3.623 1.00 19.53 C ATOM 986 CG GLN A 62 14.334 -1.494 3.893 1.00 26.38 C ATOM 987 CD GLN A 62 15.358 -1.494 5.095 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.572 -1.394 4.904 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.827 -1.422 6.346 1.00 32.71 N ATOM 0 H GLN A 62 11.005 -2.046 3.594 1.00 13.97 H new ATOM 0 HA GLN A 62 13.202 -2.433 1.585 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.264 -3.203 4.530 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.507 -3.527 3.338 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.843 -1.147 2.994 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.539 -0.779 4.105 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.819 -1.508 6.478 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.437 -1.282 7.152 1.00 32.71 H new ATOM 998 N LYS A 63 12.758 -5.109 2.110 1.00 11.73 N ATOM 999 CA LYS A 63 12.247 -6.432 1.950 1.00 11.97 C ATOM 1000 C LYS A 63 11.552 -6.963 3.236 1.00 10.41 C ATOM 1001 O LYS A 63 11.978 -6.695 4.339 1.00 9.59 O ATOM 1002 CB LYS A 63 13.335 -7.362 1.467 1.00 13.73 C ATOM 1003 CG LYS A 63 14.587 -7.584 2.336 1.00 16.98 C ATOM 1004 CD LYS A 63 15.624 -8.520 1.757 1.00 20.19 C ATOM 1005 CE LYS A 63 15.116 -10.003 1.845 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.100 -10.970 1.278 1.00 25.97 N ATOM 0 H LYS A 63 13.772 -5.044 2.023 1.00 11.73 H new ATOM 0 HA LYS A 63 11.469 -6.395 1.187 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.879 -8.337 1.297 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.672 -6.994 0.498 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.057 -6.618 2.519 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.272 -7.973 3.304 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.825 -8.256 0.719 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.564 -8.416 2.300 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.919 -10.257 2.887 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.170 -10.094 1.310 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.723 -11.936 1.357 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.270 -10.746 0.277 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.995 -10.904 1.804 1.00 25.97 H new ATOM 1020 N GLU A 64 10.381 -7.636 3.096 1.00 10.04 N ATOM 1021 CA GLU A 64 9.676 -8.329 4.142 1.00 10.94 C ATOM 1022 C GLU A 64 8.959 -7.411 5.099 1.00 9.74 C ATOM 1023 O GLU A 64 8.493 -7.795 6.140 1.00 9.42 O ATOM 1024 CB GLU A 64 10.561 -9.440 4.732 1.00 18.31 C ATOM 1025 CG GLU A 64 10.978 -10.462 3.632 1.00 24.16 C ATOM 1026 CD GLU A 64 11.679 -11.711 4.113 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.788 -11.543 4.694 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.089 -12.777 4.091 1.00 31.72 O ATOM 0 H GLU A 64 9.901 -7.697 2.198 1.00 10.04 H new ATOM 0 HA GLU A 64 8.823 -8.861 3.720 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.451 -9.001 5.182 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.023 -9.955 5.528 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.084 -10.760 3.085 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.631 -9.954 2.922 1.00 24.16 H new ATOM 1035 N SER A 65 8.918 -6.119 4.807 1.00 6.85 N ATOM 1036 CA SER A 65 8.231 -5.092 5.589 1.00 6.90 C ATOM 1037 C SER A 65 6.737 -5.451 5.819 1.00 4.72 C ATOM 1038 O SER A 65 6.132 -5.992 4.905 1.00 3.91 O ATOM 1039 CB SER A 65 8.467 -3.678 4.912 1.00 7.28 C ATOM 1040 OG SER A 65 9.848 -3.427 4.767 1.00 10.56 O ATOM 0 H SER A 65 9.382 -5.737 3.983 1.00 6.85 H new ATOM 0 HA SER A 65 8.654 -5.041 6.592 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.981 -3.649 3.937 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.010 -2.896 5.519 1.00 7.28 H new ATOM 0 HG SER A 65 10.182 -3.886 3.968 1.00 10.56 H new ATOM 1046 N THR A 66 6.138 -5.121 6.961 1.00 4.48 N ATOM 1047 CA THR A 66 4.693 -5.231 7.145 1.00 3.80 C ATOM 1048 C THR A 66 4.091 -3.801 6.927 1.00 4.60 C ATOM 1049 O THR A 66 4.494 -2.772 7.514 1.00 5.33 O ATOM 1050 CB THR A 66 4.287 -5.693 8.538 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.896 -6.956 8.844 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.769 -5.836 8.536 1.00 3.40 C ATOM 0 H THR A 66 6.637 -4.772 7.780 1.00 4.48 H new ATOM 0 HA THR A 66 4.325 -5.975 6.439 1.00 3.80 H new ATOM 0 HB THR A 66 4.613 -4.975 9.291 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.627 -7.239 9.743 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.433 -6.167 9.519 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.313 -4.874 8.302 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.474 -6.570 7.786 1.00 3.40 H new ATOM 1060 N LEU A 67 3.133 -3.734 6.014 1.00 4.17 N ATOM 1061 CA LEU A 67 2.367 -2.513 5.717 1.00 3.85 C ATOM 1062 C LEU A 67 0.918 -2.897 6.069 1.00 3.80 C ATOM 1063 O LEU A 67 0.484 -4.025 6.197 1.00 5.54 O ATOM 1064 CB LEU A 67 2.247 -2.116 4.201 1.00 7.18 C ATOM 1065 CG LEU A 67 3.488 -1.389 3.637 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.630 -2.363 3.403 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.034 -0.684 2.412 1.00 11.66 C ATOM 0 H LEU A 67 2.855 -4.534 5.445 1.00 4.17 H new ATOM 0 HA LEU A 67 2.858 -1.696 6.245 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.070 -3.017 3.614 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.375 -1.475 4.073 1.00 7.18 H new ATOM 0 HG LEU A 67 3.896 -0.661 4.339 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.491 -1.825 3.006 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.902 -2.838 4.346 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.318 -3.125 2.689 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.874 -0.149 1.968 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.646 -1.410 1.697 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.248 0.026 2.671 1.00 11.66 H new ATOM 1079 N HIS A 68 0.105 -1.869 6.247 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.304 -1.903 6.675 1.00 4.17 C ATOM 1081 C HIS A 68 -2.151 -1.135 5.658 1.00 5.32 C ATOM 1082 O HIS A 68 -1.813 -0.067 5.153 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.497 -1.428 8.136 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.850 -2.272 9.169 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.522 -3.266 9.853 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.416 -2.318 9.571 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.632 -3.767 10.710 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.556 -3.240 10.587 1.00 16.30 N ATOM 0 H HIS A 68 0.426 -0.914 6.087 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.650 -2.937 6.689 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.109 -0.413 8.225 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.565 -1.380 8.347 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.218 -1.721 9.162 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.870 -4.532 11.434 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.397 -3.460 11.121 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.371 -1.705 5.304 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.204 -1.199 4.248 1.00 3.97 C ATOM 1098 C LEU A 69 -5.420 -0.727 4.939 1.00 5.07 C ATOM 1099 O LEU A 69 -5.982 -1.431 5.776 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.654 -2.405 3.226 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.768 -2.145 2.204 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.430 -0.962 1.306 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.247 -3.338 1.329 1.00 9.96 C ATOM 0 H LEU A 69 -3.759 -2.524 5.772 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.687 -0.434 3.668 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.767 -2.714 2.673 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.961 -3.254 3.836 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.619 -1.932 2.850 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.239 -0.804 0.593 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.303 -0.067 1.915 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.506 -1.167 0.766 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.036 -3.002 0.656 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.410 -3.720 0.745 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.632 -4.130 1.972 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.774 0.562 4.629 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.071 1.137 5.022 1.00 6.26 C ATOM 1117 C VAL A 70 -7.855 1.616 3.834 1.00 9.22 C ATOM 1118 O VAL A 70 -7.317 1.915 2.769 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.989 2.278 6.039 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.624 1.744 7.390 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.976 3.316 5.467 1.00 8.54 C ATOM 0 H VAL A 70 -5.173 1.204 4.112 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.580 0.305 5.508 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.947 2.776 6.187 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.569 2.566 8.104 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.381 1.031 7.716 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.656 1.246 7.335 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.882 4.153 6.159 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.003 2.842 5.337 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.333 3.680 4.504 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.111 1.544 3.931 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.972 1.937 2.799 1.00 16.06 C ATOM 1133 C LEU A 71 -10.509 3.302 2.930 1.00 18.09 C ATOM 1134 O LEU A 71 -10.204 4.082 3.808 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.992 0.863 2.480 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.342 -0.530 2.160 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.412 -1.597 1.849 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.305 -0.516 1.003 1.00 19.57 C ATOM 0 H LEU A 71 -9.610 1.223 4.761 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.346 2.004 1.909 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.672 0.754 3.325 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.591 1.182 1.627 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.801 -0.781 3.072 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.925 -2.548 1.632 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.070 -1.714 2.710 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.998 -1.284 0.985 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.911 -1.521 0.855 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.787 -0.177 0.086 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.488 0.161 1.255 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.434 3.701 2.029 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.825 5.103 1.890 1.00 25.83 C ATOM 1152 C ARG A 72 -13.381 5.182 1.811 1.00 27.74 C ATOM 1153 O ARG A 72 -13.994 4.423 1.044 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.221 5.701 0.623 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.577 7.143 0.332 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.606 7.576 -0.773 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.990 8.928 -1.345 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.327 9.518 -2.329 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.293 8.914 -2.877 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.743 10.706 -2.755 1.00 35.02 N ATOM 0 H ARG A 72 -11.917 3.066 1.393 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.460 5.667 2.748 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.136 5.622 0.690 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -11.533 5.093 -0.226 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.613 7.236 0.006 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.466 7.764 1.221 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.593 7.622 -0.373 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.601 6.830 -1.568 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.800 9.407 -0.952 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.004 7.994 -2.544 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.781 9.366 -3.635 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.557 11.145 -2.326 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.248 11.179 -3.511 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.055 6.113 2.594 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.512 6.113 2.727 1.00 30.76 C ATOM 1176 C LEU A 73 -16.101 6.865 1.490 1.00 32.18 C ATOM 1177 O LEU A 73 -15.497 7.773 0.923 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.101 6.768 3.999 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.657 6.128 5.276 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.931 7.083 6.497 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.524 4.837 5.547 1.00 29.11 C ATOM 0 H LEU A 73 -13.588 6.850 3.123 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.789 5.061 2.797 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -15.820 7.821 4.016 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.189 6.729 3.944 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.595 5.902 5.179 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.602 6.601 7.417 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.383 8.015 6.360 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.998 7.295 6.561 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.201 4.370 6.477 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.575 5.115 5.626 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.396 4.133 4.725 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.306 6.386 1.050 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.898 6.775 -0.230 1.00 35.33 C ATOM 1195 C ARG A 74 -18.349 8.283 -0.391 1.00 36.22 C ATOM 1196 O ARG A 74 -18.915 8.907 0.489 1.00 36.70 O ATOM 1197 CB ARG A 74 -19.039 5.743 -0.490 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.921 5.853 -1.775 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.200 5.846 -3.174 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.515 4.548 -3.386 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.530 4.330 -4.269 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.886 5.325 -4.888 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.281 3.089 -4.554 1.00 41.93 N ATOM 0 H ARG A 74 -17.874 5.726 1.582 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.124 6.742 -0.997 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -18.584 4.753 -0.494 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.711 5.781 0.367 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -20.632 5.027 -1.763 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.500 6.773 -1.704 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.927 6.016 -3.968 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.477 6.660 -3.224 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.817 3.759 -2.815 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.139 6.294 -4.695 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.142 5.115 -5.553 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.823 2.346 -4.113 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.543 2.857 -5.219 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.095 8.941 -1.563 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.400 10.376 -1.717 1.00 36.07 C ATOM 1219 C GLY A 75 -17.345 11.321 -1.105 1.00 36.16 C ATOM 1220 O GLY A 75 -17.678 12.425 -0.645 1.00 36.26 O ATOM 0 H GLY A 75 -17.689 8.502 -2.390 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -18.500 10.602 -2.779 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.366 10.581 -1.255 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.096 10.948 -1.294 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.031 11.781 -0.792 1.00 36.19 C ATOM 1226 C GLY A 76 -13.635 11.043 -0.803 1.00 36.20 C ATOM 1227 O GLY A 76 -13.345 10.424 -1.827 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.937 11.087 0.222 1.00 0.00 O ATOM 0 H GLY A 76 -15.802 10.099 -1.777 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.965 12.686 -1.396 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.266 12.093 0.226 1.00 36.19 H new TER 1232 GLY A 76