USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 529 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 59 SER OG : rot -160:sc= 0.0116 USER MOD Set 1.2: A 60 GLN : amide:sc= -1.43 X(o=-1.4,f=-1.3) USER MOD Set 1.3: A 78 MET CE :methyl 174:sc= 0 (180deg=-0.055) USER MOD Set 2.1: A 13 THR OG1 : rot -65:sc= 0.175 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.113 X(o=0.063,f=-0.007) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 81:sc= 0.116 USER MOD Single : A 19 GLN : amide:sc= -0.0586 K(o=-0.059,f=-0.73) USER MOD Single : A 20 MET CE :methyl -177:sc= -1.07 (180deg=-1.08) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= 0.896 (180deg=0.0155) USER MOD Single : A 32 SER OG : rot -165:sc= 0.58 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 40 GLN : amide:sc= -0.0105 K(o=-0.01,f=-0.66) USER MOD Single : A 45 HIS : no HE2:sc=-0.00307 X(o=-0.0031,f=-0.35) USER MOD Single : A 49 GLN : amide:sc= 0.952 K(o=0.95,f=0) USER MOD Single : A 50 MET CE :methyl -155:sc= -0.1 (180deg=-0.622) USER MOD Single : A 55 THR OG1 : rot 50:sc= 1.66 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -39:sc= 1.21 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -10.209 3.571 11.580 1.00 2.35 N ATOM 2 CA GLY A 9 -9.359 3.376 12.762 1.00 1.36 C ATOM 3 C GLY A 9 -8.555 4.641 13.096 1.00 1.23 C ATOM 4 O GLY A 9 -9.098 5.749 13.073 1.00 1.62 O ATOM 0 HA2 GLY A 9 -9.979 3.103 13.616 1.00 1.36 H new ATOM 0 HA3 GLY A 9 -8.675 2.546 12.586 1.00 1.36 H new ATOM 8 N THR A 10 -7.257 4.502 13.380 1.00 1.12 N ATOM 9 CA THR A 10 -6.335 5.605 13.711 1.00 0.93 C ATOM 10 C THR A 10 -5.006 5.480 12.967 1.00 0.70 C ATOM 11 O THR A 10 -4.631 4.393 12.520 1.00 0.70 O ATOM 12 CB THR A 10 -6.134 5.711 15.223 1.00 0.99 C ATOM 13 OG1 THR A 10 -5.438 6.893 15.539 1.00 0.96 O ATOM 14 CG2 THR A 10 -5.360 4.547 15.831 1.00 0.97 C ATOM 0 H THR A 10 -6.799 3.591 13.388 1.00 1.12 H new ATOM 0 HA THR A 10 -6.794 6.533 13.372 1.00 0.93 H new ATOM 0 HB THR A 10 -7.139 5.703 15.645 1.00 0.99 H new ATOM 0 HG1 THR A 10 -5.316 6.951 16.510 1.00 0.96 H new ATOM 0 HG21 THR A 10 -5.261 4.698 16.906 1.00 0.97 H new ATOM 0 HG22 THR A 10 -5.896 3.616 15.643 1.00 0.97 H new ATOM 0 HG23 THR A 10 -4.370 4.493 15.379 1.00 0.97 H new ATOM 22 N LEU A 11 -4.305 6.602 12.791 1.00 0.60 N ATOM 23 CA LEU A 11 -3.172 6.719 11.868 1.00 0.47 C ATOM 24 C LEU A 11 -1.995 5.855 12.337 1.00 0.46 C ATOM 25 O LEU A 11 -1.514 5.980 13.467 1.00 0.53 O ATOM 26 CB LEU A 11 -2.747 8.189 11.713 1.00 0.43 C ATOM 27 CG LEU A 11 -2.151 8.660 10.371 1.00 0.73 C ATOM 28 CD1 LEU A 11 -0.899 7.919 9.907 1.00 2.05 C ATOM 29 CD2 LEU A 11 -3.166 8.605 9.232 1.00 1.11 C ATOM 0 H LEU A 11 -4.510 7.467 13.292 1.00 0.60 H new ATOM 0 HA LEU A 11 -3.489 6.353 10.891 1.00 0.47 H new ATOM 0 HB2 LEU A 11 -3.621 8.807 11.919 1.00 0.43 H new ATOM 0 HB3 LEU A 11 -2.014 8.403 12.491 1.00 0.43 H new ATOM 0 HG LEU A 11 -1.863 9.687 10.594 1.00 0.73 H new ATOM 0 HD11 LEU A 11 -0.565 8.330 8.954 1.00 2.05 H new ATOM 0 HD12 LEU A 11 -0.110 8.037 10.650 1.00 2.05 H new ATOM 0 HD13 LEU A 11 -1.127 6.860 9.785 1.00 2.05 H new ATOM 0 HD21 LEU A 11 -2.697 8.947 8.310 1.00 1.11 H new ATOM 0 HD22 LEU A 11 -3.514 7.580 9.104 1.00 1.11 H new ATOM 0 HD23 LEU A 11 -4.013 9.249 9.468 1.00 1.11 H new ATOM 41 N CYS A 12 -1.550 4.999 11.434 1.00 0.40 N ATOM 42 CA CYS A 12 -0.547 3.948 11.605 1.00 0.46 C ATOM 43 C CYS A 12 0.207 3.729 10.282 1.00 0.32 C ATOM 44 O CYS A 12 -0.345 3.985 9.210 1.00 0.34 O ATOM 45 CB CYS A 12 -1.257 2.646 12.011 1.00 0.70 C ATOM 46 SG CYS A 12 -1.996 2.760 13.666 1.00 1.91 S ATOM 0 H CYS A 12 -1.908 5.018 10.479 1.00 0.40 H new ATOM 0 HA CYS A 12 0.165 4.241 12.377 1.00 0.46 H new ATOM 0 HB2 CYS A 12 -2.034 2.415 11.282 1.00 0.70 H new ATOM 0 HB3 CYS A 12 -0.544 1.822 11.989 1.00 0.70 H new ATOM 0 HG CYS A 12 -3.140 3.373 13.589 1.00 1.91 H new ATOM 52 N THR A 13 1.438 3.218 10.344 1.00 0.37 N ATOM 53 CA THR A 13 2.256 2.873 9.164 1.00 0.27 C ATOM 54 C THR A 13 2.110 1.383 8.857 1.00 0.35 C ATOM 55 O THR A 13 2.701 0.558 9.546 1.00 0.70 O ATOM 56 CB THR A 13 3.740 3.190 9.420 1.00 0.41 C ATOM 57 OG1 THR A 13 3.944 4.510 9.879 1.00 0.69 O ATOM 58 CG2 THR A 13 4.584 2.989 8.163 1.00 0.55 C ATOM 0 H THR A 13 1.909 3.026 11.228 1.00 0.37 H new ATOM 0 HA THR A 13 1.908 3.465 8.318 1.00 0.27 H new ATOM 0 HB THR A 13 4.052 2.492 10.197 1.00 0.41 H new ATOM 0 HG1 THR A 13 3.695 5.144 9.174 1.00 0.69 H new ATOM 0 HG21 THR A 13 5.626 3.223 8.383 1.00 0.55 H new ATOM 0 HG22 THR A 13 4.506 1.953 7.834 1.00 0.55 H new ATOM 0 HG23 THR A 13 4.223 3.648 7.373 1.00 0.55 H new ATOM 66 N LEU A 14 1.367 1.014 7.816 1.00 0.17 N ATOM 67 CA LEU A 14 1.168 -0.384 7.410 1.00 0.22 C ATOM 68 C LEU A 14 2.185 -0.759 6.324 1.00 0.25 C ATOM 69 O LEU A 14 2.158 -0.186 5.237 1.00 0.48 O ATOM 70 CB LEU A 14 -0.291 -0.566 6.956 1.00 0.32 C ATOM 71 CG LEU A 14 -1.315 -0.858 8.073 1.00 0.50 C ATOM 72 CD1 LEU A 14 -1.169 -0.020 9.340 1.00 0.99 C ATOM 73 CD2 LEU A 14 -2.731 -0.635 7.539 1.00 1.79 C ATOM 0 H LEU A 14 0.878 1.682 7.220 1.00 0.17 H new ATOM 0 HA LEU A 14 1.341 -1.062 8.246 1.00 0.22 H new ATOM 0 HB2 LEU A 14 -0.603 0.337 6.431 1.00 0.32 H new ATOM 0 HB3 LEU A 14 -0.327 -1.382 6.235 1.00 0.32 H new ATOM 0 HG LEU A 14 -1.120 -1.892 8.357 1.00 0.50 H new ATOM 0 HD11 LEU A 14 -1.938 -0.307 10.057 1.00 0.99 H new ATOM 0 HD12 LEU A 14 -0.185 -0.189 9.777 1.00 0.99 H new ATOM 0 HD13 LEU A 14 -1.280 1.036 9.093 1.00 0.99 H new ATOM 0 HD21 LEU A 14 -3.454 -0.841 8.328 1.00 1.79 H new ATOM 0 HD22 LEU A 14 -2.837 0.399 7.211 1.00 1.79 H new ATOM 0 HD23 LEU A 14 -2.912 -1.303 6.697 1.00 1.79 H new ATOM 85 N GLU A 15 3.094 -1.693 6.616 1.00 0.28 N ATOM 86 CA GLU A 15 4.225 -2.050 5.745 1.00 0.28 C ATOM 87 C GLU A 15 3.931 -3.375 4.980 1.00 0.24 C ATOM 88 O GLU A 15 4.092 -4.503 5.446 1.00 0.28 O ATOM 89 CB GLU A 15 5.541 -1.972 6.564 1.00 0.50 C ATOM 90 CG GLU A 15 6.121 -3.302 7.011 1.00 2.23 C ATOM 91 CD GLU A 15 7.214 -3.198 8.085 1.00 2.06 C ATOM 92 OE1 GLU A 15 8.258 -2.535 7.877 1.00 1.76 O ATOM 93 OE2 GLU A 15 7.093 -3.843 9.154 1.00 3.23 O ATOM 0 H GLU A 15 3.067 -2.234 7.480 1.00 0.28 H new ATOM 0 HA GLU A 15 4.366 -1.333 4.936 1.00 0.28 H new ATOM 0 HB2 GLU A 15 6.290 -1.454 5.965 1.00 0.50 H new ATOM 0 HB3 GLU A 15 5.361 -1.360 7.448 1.00 0.50 H new ATOM 0 HG2 GLU A 15 5.313 -3.925 7.394 1.00 2.23 H new ATOM 0 HG3 GLU A 15 6.533 -3.814 6.141 1.00 2.23 H new ATOM 100 N PHE A 16 3.412 -3.246 3.770 1.00 0.23 N ATOM 101 CA PHE A 16 2.864 -4.353 2.972 1.00 0.23 C ATOM 102 C PHE A 16 3.844 -4.853 1.905 1.00 0.21 C ATOM 103 O PHE A 16 4.566 -4.078 1.290 1.00 0.27 O ATOM 104 CB PHE A 16 1.567 -3.913 2.279 1.00 0.33 C ATOM 105 CG PHE A 16 0.294 -3.900 3.089 1.00 0.30 C ATOM 106 CD1 PHE A 16 -0.479 -5.075 3.192 1.00 1.37 C ATOM 107 CD2 PHE A 16 -0.191 -2.694 3.621 1.00 1.64 C ATOM 108 CE1 PHE A 16 -1.762 -5.029 3.761 1.00 1.40 C ATOM 109 CE2 PHE A 16 -1.463 -2.656 4.215 1.00 1.61 C ATOM 110 CZ PHE A 16 -2.255 -3.816 4.262 1.00 0.31 C ATOM 0 H PHE A 16 3.354 -2.346 3.294 1.00 0.23 H new ATOM 0 HA PHE A 16 2.672 -5.171 3.666 1.00 0.23 H new ATOM 0 HB2 PHE A 16 1.723 -2.908 1.888 1.00 0.33 H new ATOM 0 HB3 PHE A 16 1.409 -4.567 1.422 1.00 0.33 H new ATOM 0 HD1 PHE A 16 -0.083 -6.013 2.832 1.00 1.37 H new ATOM 0 HD2 PHE A 16 0.412 -1.799 3.573 1.00 1.64 H new ATOM 0 HE1 PHE A 16 -2.366 -5.923 3.812 1.00 1.40 H new ATOM 0 HE2 PHE A 16 -1.833 -1.733 4.637 1.00 1.61 H new ATOM 0 HZ PHE A 16 -3.247 -3.773 4.686 1.00 0.31 H new ATOM 120 N ALA A 17 3.801 -6.150 1.618 1.00 0.30 N ATOM 121 CA ALA A 17 4.499 -6.787 0.495 1.00 0.29 C ATOM 122 C ALA A 17 3.544 -7.011 -0.698 1.00 0.30 C ATOM 123 O ALA A 17 2.470 -7.595 -0.525 1.00 0.37 O ATOM 124 CB ALA A 17 5.141 -8.086 0.992 1.00 0.34 C ATOM 0 H ALA A 17 3.263 -6.813 2.176 1.00 0.30 H new ATOM 0 HA ALA A 17 5.288 -6.133 0.124 1.00 0.29 H new ATOM 0 HB1 ALA A 17 5.664 -8.572 0.168 1.00 0.34 H new ATOM 0 HB2 ALA A 17 5.850 -7.860 1.789 1.00 0.34 H new ATOM 0 HB3 ALA A 17 4.367 -8.752 1.373 1.00 0.34 H new ATOM 130 N VAL A 18 3.912 -6.519 -1.891 1.00 0.40 N ATOM 131 CA VAL A 18 3.042 -6.452 -3.086 1.00 0.47 C ATOM 132 C VAL A 18 3.790 -6.653 -4.414 1.00 0.76 C ATOM 133 O VAL A 18 4.784 -5.982 -4.686 1.00 1.46 O ATOM 134 CB VAL A 18 2.244 -5.133 -3.126 1.00 0.70 C ATOM 135 CG1 VAL A 18 1.158 -5.046 -2.051 1.00 0.74 C ATOM 136 CG2 VAL A 18 3.108 -3.902 -2.893 1.00 1.08 C ATOM 0 H VAL A 18 4.846 -6.146 -2.061 1.00 0.40 H new ATOM 0 HA VAL A 18 2.354 -7.291 -2.985 1.00 0.47 H new ATOM 0 HB VAL A 18 1.817 -5.145 -4.129 1.00 0.70 H new ATOM 0 HG11 VAL A 18 0.636 -4.093 -2.137 1.00 0.74 H new ATOM 0 HG12 VAL A 18 0.448 -5.862 -2.185 1.00 0.74 H new ATOM 0 HG13 VAL A 18 1.616 -5.121 -1.065 1.00 0.74 H new ATOM 0 HG21 VAL A 18 2.486 -3.008 -2.934 1.00 1.08 H new ATOM 0 HG22 VAL A 18 3.582 -3.970 -1.914 1.00 1.08 H new ATOM 0 HG23 VAL A 18 3.876 -3.845 -3.664 1.00 1.08 H new ATOM 146 N GLN A 19 3.305 -7.554 -5.280 1.00 0.40 N ATOM 147 CA GLN A 19 4.062 -7.967 -6.477 1.00 0.54 C ATOM 148 C GLN A 19 3.950 -6.986 -7.670 1.00 0.40 C ATOM 149 O GLN A 19 2.920 -6.893 -8.342 1.00 0.44 O ATOM 150 CB GLN A 19 3.778 -9.448 -6.802 1.00 0.88 C ATOM 151 CG GLN A 19 2.403 -9.802 -7.406 1.00 1.65 C ATOM 152 CD GLN A 19 2.396 -9.961 -8.929 1.00 2.92 C ATOM 153 OE1 GLN A 19 3.346 -9.676 -9.642 1.00 3.63 O ATOM 154 NE2 GLN A 19 1.332 -10.481 -9.502 1.00 4.23 N ATOM 0 H GLN A 19 2.398 -8.010 -5.178 1.00 0.40 H new ATOM 0 HA GLN A 19 5.125 -7.903 -6.243 1.00 0.54 H new ATOM 0 HB2 GLN A 19 4.546 -9.792 -7.494 1.00 0.88 H new ATOM 0 HB3 GLN A 19 3.897 -10.021 -5.883 1.00 0.88 H new ATOM 0 HG2 GLN A 19 2.051 -10.730 -6.956 1.00 1.65 H new ATOM 0 HG3 GLN A 19 1.690 -9.025 -7.132 1.00 1.65 H new ATOM 0 HE21 GLN A 19 0.520 -10.731 -8.938 1.00 4.23 H new ATOM 0 HE22 GLN A 19 1.319 -10.634 -10.510 1.00 4.23 H new ATOM 163 N MET A 20 5.025 -6.232 -7.926 1.00 0.47 N ATOM 164 CA MET A 20 5.212 -5.334 -9.083 1.00 0.57 C ATOM 165 C MET A 20 6.679 -5.311 -9.565 1.00 0.77 C ATOM 166 O MET A 20 7.563 -5.679 -8.791 1.00 0.89 O ATOM 167 CB MET A 20 4.704 -3.922 -8.743 1.00 0.49 C ATOM 168 CG MET A 20 5.036 -3.434 -7.329 1.00 0.39 C ATOM 169 SD MET A 20 4.723 -1.659 -7.137 1.00 0.55 S ATOM 170 CE MET A 20 4.869 -1.543 -5.343 1.00 0.36 C ATOM 0 H MET A 20 5.832 -6.228 -7.303 1.00 0.47 H new ATOM 0 HA MET A 20 4.621 -5.723 -9.913 1.00 0.57 H new ATOM 0 HB2 MET A 20 5.125 -3.219 -9.461 1.00 0.49 H new ATOM 0 HB3 MET A 20 3.622 -3.901 -8.873 1.00 0.49 H new ATOM 0 HG2 MET A 20 4.440 -3.988 -6.604 1.00 0.39 H new ATOM 0 HG3 MET A 20 6.083 -3.644 -7.109 1.00 0.39 H new ATOM 0 HE1 MET A 20 4.653 -0.523 -5.026 1.00 0.36 H new ATOM 0 HE2 MET A 20 4.160 -2.226 -4.875 1.00 0.36 H new ATOM 0 HE3 MET A 20 5.882 -1.810 -5.042 1.00 0.36 H new ATOM 180 N THR A 21 6.949 -4.911 -10.824 1.00 0.98 N ATOM 181 CA THR A 21 8.277 -5.110 -11.473 1.00 1.24 C ATOM 182 C THR A 21 8.902 -3.934 -12.243 1.00 1.00 C ATOM 183 O THR A 21 10.128 -3.917 -12.372 1.00 0.98 O ATOM 184 CB THR A 21 8.270 -6.334 -12.413 1.00 1.97 C ATOM 185 OG1 THR A 21 7.223 -6.243 -13.363 1.00 3.72 O ATOM 186 CG2 THR A 21 8.101 -7.648 -11.653 1.00 1.32 C ATOM 0 H THR A 21 6.266 -4.445 -11.421 1.00 0.98 H new ATOM 0 HA THR A 21 8.912 -5.246 -10.597 1.00 1.24 H new ATOM 0 HB THR A 21 9.239 -6.331 -12.913 1.00 1.97 H new ATOM 0 HG1 THR A 21 7.242 -7.030 -13.947 1.00 3.72 H new ATOM 0 HG21 THR A 21 8.102 -8.479 -12.358 1.00 1.32 H new ATOM 0 HG22 THR A 21 8.924 -7.769 -10.948 1.00 1.32 H new ATOM 0 HG23 THR A 21 7.156 -7.635 -11.109 1.00 1.32 H new ATOM 194 N CYS A 22 8.146 -2.949 -12.744 1.00 0.96 N ATOM 195 CA CYS A 22 8.698 -1.804 -13.487 1.00 0.89 C ATOM 196 C CYS A 22 8.065 -0.442 -13.094 1.00 0.87 C ATOM 197 O CYS A 22 7.087 -0.394 -12.343 1.00 0.87 O ATOM 198 CB CYS A 22 8.636 -2.142 -14.992 1.00 1.12 C ATOM 199 SG CYS A 22 7.101 -1.631 -15.821 1.00 1.49 S ATOM 0 H CYS A 22 7.131 -2.922 -12.646 1.00 0.96 H new ATOM 0 HA CYS A 22 9.742 -1.653 -13.212 1.00 0.89 H new ATOM 0 HB2 CYS A 22 9.479 -1.666 -15.493 1.00 1.12 H new ATOM 0 HB3 CYS A 22 8.758 -3.218 -15.114 1.00 1.12 H new ATOM 204 N GLN A 23 8.632 0.664 -13.605 1.00 0.90 N ATOM 205 CA GLN A 23 8.344 2.045 -13.168 1.00 0.93 C ATOM 206 C GLN A 23 6.885 2.515 -13.370 1.00 0.93 C ATOM 207 O GLN A 23 6.466 3.465 -12.703 1.00 1.04 O ATOM 208 CB GLN A 23 9.331 3.035 -13.813 1.00 1.00 C ATOM 209 CG GLN A 23 10.740 2.983 -13.197 1.00 1.24 C ATOM 210 CD GLN A 23 10.761 3.317 -11.705 1.00 1.26 C ATOM 211 OE1 GLN A 23 10.476 4.431 -11.284 1.00 2.09 O ATOM 212 NE2 GLN A 23 11.080 2.375 -10.847 1.00 1.26 N ATOM 0 H GLN A 23 9.323 0.623 -14.354 1.00 0.90 H new ATOM 0 HA GLN A 23 8.482 2.030 -12.087 1.00 0.93 H new ATOM 0 HB2 GLN A 23 9.401 2.823 -14.880 1.00 1.00 H new ATOM 0 HB3 GLN A 23 8.936 4.046 -13.714 1.00 1.00 H new ATOM 0 HG2 GLN A 23 11.157 1.987 -13.345 1.00 1.24 H new ATOM 0 HG3 GLN A 23 11.387 3.682 -13.728 1.00 1.24 H new ATOM 0 HE21 GLN A 23 11.320 1.441 -11.180 1.00 1.26 H new ATOM 0 HE22 GLN A 23 11.088 2.577 -9.847 1.00 1.26 H new ATOM 221 N SER A 24 6.083 1.843 -14.200 1.00 0.86 N ATOM 222 CA SER A 24 4.648 2.150 -14.347 1.00 0.88 C ATOM 223 C SER A 24 3.767 1.507 -13.268 1.00 0.75 C ATOM 224 O SER A 24 2.719 2.065 -12.937 1.00 0.80 O ATOM 225 CB SER A 24 4.141 1.748 -15.734 1.00 1.07 C ATOM 226 OG SER A 24 4.872 2.459 -16.713 1.00 1.64 O ATOM 0 H SER A 24 6.403 1.074 -14.789 1.00 0.86 H new ATOM 0 HA SER A 24 4.566 3.230 -14.222 1.00 0.88 H new ATOM 0 HB2 SER A 24 4.259 0.674 -15.882 1.00 1.07 H new ATOM 0 HB3 SER A 24 3.077 1.968 -15.825 1.00 1.07 H new ATOM 0 HG SER A 24 4.555 2.207 -17.605 1.00 1.64 H new ATOM 232 N CYS A 25 4.190 0.385 -12.674 1.00 0.66 N ATOM 233 CA CYS A 25 3.419 -0.328 -11.664 1.00 0.54 C ATOM 234 C CYS A 25 3.515 0.388 -10.300 1.00 0.44 C ATOM 235 O CYS A 25 2.530 0.529 -9.588 1.00 0.40 O ATOM 236 CB CYS A 25 3.932 -1.775 -11.622 1.00 0.61 C ATOM 237 SG CYS A 25 3.757 -2.743 -13.146 1.00 0.79 S ATOM 0 H CYS A 25 5.086 -0.053 -12.887 1.00 0.66 H new ATOM 0 HA CYS A 25 2.358 -0.341 -11.914 1.00 0.54 H new ATOM 0 HB2 CYS A 25 4.987 -1.755 -11.351 1.00 0.61 H new ATOM 0 HB3 CYS A 25 3.408 -2.299 -10.823 1.00 0.61 H new ATOM 242 N VAL A 26 4.700 0.909 -9.990 1.00 0.48 N ATOM 243 CA VAL A 26 5.020 1.761 -8.831 1.00 0.45 C ATOM 244 C VAL A 26 4.011 2.910 -8.756 1.00 0.41 C ATOM 245 O VAL A 26 3.357 3.107 -7.737 1.00 0.42 O ATOM 246 CB VAL A 26 6.450 2.344 -8.974 1.00 0.59 C ATOM 247 CG1 VAL A 26 7.195 2.490 -7.650 1.00 0.50 C ATOM 248 CG2 VAL A 26 7.340 1.502 -9.862 1.00 0.95 C ATOM 0 H VAL A 26 5.519 0.741 -10.574 1.00 0.48 H new ATOM 0 HA VAL A 26 4.970 1.161 -7.923 1.00 0.45 H new ATOM 0 HB VAL A 26 6.269 3.326 -9.412 1.00 0.59 H new ATOM 0 HG11 VAL A 26 8.186 2.904 -7.834 1.00 0.50 H new ATOM 0 HG12 VAL A 26 6.640 3.158 -6.992 1.00 0.50 H new ATOM 0 HG13 VAL A 26 7.292 1.513 -7.177 1.00 0.50 H new ATOM 0 HG21 VAL A 26 8.328 1.959 -9.925 1.00 0.95 H new ATOM 0 HG22 VAL A 26 7.430 0.500 -9.442 1.00 0.95 H new ATOM 0 HG23 VAL A 26 6.905 1.440 -10.859 1.00 0.95 H new ATOM 258 N ASP A 27 3.809 3.596 -9.885 1.00 0.44 N ATOM 259 CA ASP A 27 2.827 4.668 -10.055 1.00 0.49 C ATOM 260 C ASP A 27 1.385 4.168 -9.905 1.00 0.43 C ATOM 261 O ASP A 27 0.563 4.814 -9.263 1.00 0.52 O ATOM 262 CB ASP A 27 3.013 5.261 -11.458 1.00 0.62 C ATOM 263 CG ASP A 27 2.490 6.689 -11.577 1.00 1.25 C ATOM 264 OD1 ASP A 27 2.974 7.574 -10.835 1.00 2.02 O ATOM 265 OD2 ASP A 27 1.617 6.941 -12.442 1.00 2.37 O ATOM 0 H ASP A 27 4.344 3.413 -10.734 1.00 0.44 H new ATOM 0 HA ASP A 27 2.991 5.414 -9.277 1.00 0.49 H new ATOM 0 HB2 ASP A 27 4.072 5.245 -11.715 1.00 0.62 H new ATOM 0 HB3 ASP A 27 2.499 4.630 -12.184 1.00 0.62 H new ATOM 270 N ALA A 28 1.075 2.995 -10.459 1.00 0.37 N ATOM 271 CA ALA A 28 -0.281 2.457 -10.456 1.00 0.36 C ATOM 272 C ALA A 28 -0.712 2.038 -9.046 1.00 0.33 C ATOM 273 O ALA A 28 -1.829 2.354 -8.623 1.00 0.42 O ATOM 274 CB ALA A 28 -0.353 1.296 -11.449 1.00 0.35 C ATOM 0 H ALA A 28 1.757 2.394 -10.921 1.00 0.37 H new ATOM 0 HA ALA A 28 -0.982 3.231 -10.769 1.00 0.36 H new ATOM 0 HB1 ALA A 28 -1.363 0.885 -11.456 1.00 0.35 H new ATOM 0 HB2 ALA A 28 -0.100 1.655 -12.447 1.00 0.35 H new ATOM 0 HB3 ALA A 28 0.353 0.520 -11.153 1.00 0.35 H new ATOM 280 N VAL A 29 0.177 1.395 -8.282 1.00 0.28 N ATOM 281 CA VAL A 29 -0.095 0.975 -6.921 1.00 0.33 C ATOM 282 C VAL A 29 -0.117 2.177 -5.972 1.00 0.40 C ATOM 283 O VAL A 29 -1.029 2.246 -5.152 1.00 0.54 O ATOM 284 CB VAL A 29 0.870 -0.153 -6.503 1.00 0.42 C ATOM 285 CG1 VAL A 29 0.431 -0.753 -5.174 1.00 0.55 C ATOM 286 CG2 VAL A 29 0.858 -1.351 -7.472 1.00 0.44 C ATOM 0 H VAL A 29 1.114 1.153 -8.604 1.00 0.28 H new ATOM 0 HA VAL A 29 -1.095 0.546 -6.861 1.00 0.33 H new ATOM 0 HB VAL A 29 1.853 0.316 -6.474 1.00 0.42 H new ATOM 0 HG11 VAL A 29 1.120 -1.548 -4.889 1.00 0.55 H new ATOM 0 HG12 VAL A 29 0.433 0.021 -4.407 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -0.574 -1.162 -5.274 1.00 0.55 H new ATOM 0 HG21 VAL A 29 1.558 -2.110 -7.121 1.00 0.44 H new ATOM 0 HG22 VAL A 29 -0.145 -1.775 -7.514 1.00 0.44 H new ATOM 0 HG23 VAL A 29 1.153 -1.017 -8.467 1.00 0.44 H new ATOM 296 N ARG A 30 0.747 3.194 -6.156 1.00 0.35 N ATOM 297 CA ARG A 30 0.635 4.492 -5.452 1.00 0.43 C ATOM 298 C ARG A 30 -0.727 5.137 -5.703 1.00 0.52 C ATOM 299 O ARG A 30 -1.363 5.615 -4.770 1.00 0.68 O ATOM 300 CB ARG A 30 1.730 5.464 -5.953 1.00 0.47 C ATOM 301 CG ARG A 30 3.151 5.169 -5.448 1.00 0.41 C ATOM 302 CD ARG A 30 4.224 5.806 -6.359 1.00 0.49 C ATOM 303 NE ARG A 30 4.860 7.005 -5.774 1.00 1.38 N ATOM 304 CZ ARG A 30 6.060 7.467 -6.077 1.00 1.62 C ATOM 305 NH1 ARG A 30 6.725 7.033 -7.105 1.00 2.57 N ATOM 306 NH2 ARG A 30 6.613 8.401 -5.364 1.00 2.36 N ATOM 0 H ARG A 30 1.541 3.142 -6.794 1.00 0.35 H new ATOM 0 HA ARG A 30 0.755 4.300 -4.386 1.00 0.43 H new ATOM 0 HB2 ARG A 30 1.738 5.445 -7.043 1.00 0.47 H new ATOM 0 HB3 ARG A 30 1.459 6.476 -5.654 1.00 0.47 H new ATOM 0 HG2 ARG A 30 3.263 5.550 -4.433 1.00 0.41 H new ATOM 0 HG3 ARG A 30 3.305 4.091 -5.403 1.00 0.41 H new ATOM 0 HD2 ARG A 30 4.994 5.064 -6.573 1.00 0.49 H new ATOM 0 HD3 ARG A 30 3.767 6.075 -7.311 1.00 0.49 H new ATOM 0 HE ARG A 30 4.326 7.521 -5.075 1.00 1.38 H new ATOM 0 HH11 ARG A 30 6.322 6.314 -7.706 1.00 2.57 H new ATOM 0 HH12 ARG A 30 7.650 7.411 -7.311 1.00 2.57 H new ATOM 0 HH21 ARG A 30 6.120 8.787 -4.559 1.00 2.36 H new ATOM 0 HH22 ARG A 30 7.540 8.748 -5.609 1.00 2.36 H new ATOM 320 N LYS A 31 -1.228 5.078 -6.937 1.00 0.49 N ATOM 321 CA LYS A 31 -2.464 5.761 -7.345 1.00 0.57 C ATOM 322 C LYS A 31 -3.752 5.075 -6.890 1.00 0.62 C ATOM 323 O LYS A 31 -4.780 5.745 -6.834 1.00 0.66 O ATOM 324 CB LYS A 31 -2.395 6.110 -8.833 1.00 0.67 C ATOM 325 CG LYS A 31 -1.406 7.278 -8.927 1.00 0.66 C ATOM 326 CD LYS A 31 -1.031 7.733 -10.327 1.00 0.79 C ATOM 327 CE LYS A 31 -0.074 8.899 -10.072 1.00 0.81 C ATOM 328 NZ LYS A 31 0.582 9.351 -11.313 1.00 1.05 N ATOM 0 H LYS A 31 -0.786 4.551 -7.691 1.00 0.49 H new ATOM 0 HA LYS A 31 -2.524 6.703 -6.799 1.00 0.57 H new ATOM 0 HB2 LYS A 31 -2.055 5.258 -9.422 1.00 0.67 H new ATOM 0 HB3 LYS A 31 -3.375 6.392 -9.217 1.00 0.67 H new ATOM 0 HG2 LYS A 31 -1.830 8.129 -8.393 1.00 0.66 H new ATOM 0 HG3 LYS A 31 -0.493 6.996 -8.403 1.00 0.66 H new ATOM 0 HD2 LYS A 31 -0.551 6.935 -10.894 1.00 0.79 H new ATOM 0 HD3 LYS A 31 -1.906 8.047 -10.896 1.00 0.79 H new ATOM 0 HE2 LYS A 31 -0.623 9.729 -9.628 1.00 0.81 H new ATOM 0 HE3 LYS A 31 0.684 8.596 -9.350 1.00 0.81 H new ATOM 0 HZ1 LYS A 31 1.434 9.898 -11.076 1.00 1.05 H new ATOM 0 HZ2 LYS A 31 0.849 8.525 -11.885 1.00 1.05 H new ATOM 0 HZ3 LYS A 31 -0.074 9.949 -11.854 1.00 1.05 H new ATOM 342 N SER A 32 -3.720 3.798 -6.495 1.00 0.65 N ATOM 343 CA SER A 32 -4.814 3.213 -5.695 1.00 0.67 C ATOM 344 C SER A 32 -4.873 3.804 -4.270 1.00 0.62 C ATOM 345 O SER A 32 -5.953 3.878 -3.687 1.00 0.78 O ATOM 346 CB SER A 32 -4.712 1.680 -5.665 1.00 0.75 C ATOM 347 OG SER A 32 -5.824 1.112 -4.985 1.00 1.06 O ATOM 0 H SER A 32 -2.961 3.152 -6.710 1.00 0.65 H new ATOM 0 HA SER A 32 -5.751 3.479 -6.183 1.00 0.67 H new ATOM 0 HB2 SER A 32 -4.667 1.294 -6.683 1.00 0.75 H new ATOM 0 HB3 SER A 32 -3.787 1.382 -5.171 1.00 0.75 H new ATOM 0 HG SER A 32 -5.632 0.176 -4.769 1.00 1.06 H new ATOM 353 N LEU A 33 -3.747 4.282 -3.723 1.00 0.52 N ATOM 354 CA LEU A 33 -3.638 4.880 -2.379 1.00 0.52 C ATOM 355 C LEU A 33 -3.894 6.399 -2.390 1.00 0.44 C ATOM 356 O LEU A 33 -4.479 6.944 -1.456 1.00 0.48 O ATOM 357 CB LEU A 33 -2.230 4.601 -1.800 1.00 0.59 C ATOM 358 CG LEU A 33 -1.713 3.156 -1.932 1.00 0.43 C ATOM 359 CD1 LEU A 33 -0.217 3.055 -1.648 1.00 0.62 C ATOM 360 CD2 LEU A 33 -2.432 2.211 -0.987 1.00 0.51 C ATOM 0 H LEU A 33 -2.855 4.264 -4.218 1.00 0.52 H new ATOM 0 HA LEU A 33 -4.405 4.421 -1.755 1.00 0.52 H new ATOM 0 HB2 LEU A 33 -1.520 5.265 -2.292 1.00 0.59 H new ATOM 0 HB3 LEU A 33 -2.236 4.867 -0.743 1.00 0.59 H new ATOM 0 HG LEU A 33 -1.910 2.868 -2.965 1.00 0.43 H new ATOM 0 HD11 LEU A 33 0.104 2.019 -1.753 1.00 0.62 H new ATOM 0 HD12 LEU A 33 0.331 3.678 -2.356 1.00 0.62 H new ATOM 0 HD13 LEU A 33 -0.016 3.396 -0.633 1.00 0.62 H new ATOM 0 HD21 LEU A 33 -2.038 1.202 -1.112 1.00 0.51 H new ATOM 0 HD22 LEU A 33 -2.277 2.537 0.041 1.00 0.51 H new ATOM 0 HD23 LEU A 33 -3.499 2.214 -1.211 1.00 0.51 H new ATOM 372 N GLN A 34 -3.450 7.089 -3.443 1.00 0.41 N ATOM 373 CA GLN A 34 -3.557 8.539 -3.590 1.00 0.45 C ATOM 374 C GLN A 34 -5.013 8.988 -3.763 1.00 0.48 C ATOM 375 O GLN A 34 -5.783 8.424 -4.548 1.00 0.56 O ATOM 376 CB GLN A 34 -2.657 8.995 -4.749 1.00 0.56 C ATOM 377 CG GLN A 34 -1.214 9.223 -4.271 1.00 1.02 C ATOM 378 CD GLN A 34 -0.221 9.283 -5.428 1.00 1.15 C ATOM 379 OE1 GLN A 34 -0.181 8.411 -6.279 1.00 2.38 O ATOM 380 NE2 GLN A 34 0.621 10.287 -5.506 1.00 0.98 N ATOM 0 H GLN A 34 -2.994 6.641 -4.238 1.00 0.41 H new ATOM 0 HA GLN A 34 -3.210 9.020 -2.675 1.00 0.45 H new ATOM 0 HB2 GLN A 34 -2.668 8.244 -5.539 1.00 0.56 H new ATOM 0 HB3 GLN A 34 -3.051 9.916 -5.179 1.00 0.56 H new ATOM 0 HG2 GLN A 34 -1.164 10.153 -3.705 1.00 1.02 H new ATOM 0 HG3 GLN A 34 -0.928 8.420 -3.591 1.00 1.02 H new ATOM 0 HE21 GLN A 34 0.601 11.025 -4.802 1.00 0.98 H new ATOM 0 HE22 GLN A 34 1.295 10.329 -6.270 1.00 0.98 H new ATOM 389 N GLY A 35 -5.365 10.028 -3.009 1.00 0.57 N ATOM 390 CA GLY A 35 -6.705 10.621 -2.950 1.00 0.69 C ATOM 391 C GLY A 35 -7.739 9.864 -2.102 1.00 0.67 C ATOM 392 O GLY A 35 -8.906 10.255 -2.105 1.00 0.84 O ATOM 0 H GLY A 35 -4.700 10.501 -2.397 1.00 0.57 H new ATOM 0 HA2 GLY A 35 -6.615 11.634 -2.559 1.00 0.69 H new ATOM 0 HA3 GLY A 35 -7.089 10.704 -3.967 1.00 0.69 H new ATOM 396 N VAL A 36 -7.364 8.802 -1.376 1.00 0.58 N ATOM 397 CA VAL A 36 -8.281 7.964 -0.602 1.00 0.66 C ATOM 398 C VAL A 36 -8.619 8.625 0.734 1.00 0.60 C ATOM 399 O VAL A 36 -7.819 9.332 1.352 1.00 0.74 O ATOM 400 CB VAL A 36 -7.705 6.540 -0.428 1.00 0.72 C ATOM 401 CG1 VAL A 36 -8.578 5.614 0.429 1.00 0.95 C ATOM 402 CG2 VAL A 36 -7.568 5.853 -1.792 1.00 0.88 C ATOM 0 H VAL A 36 -6.393 8.498 -1.311 1.00 0.58 H new ATOM 0 HA VAL A 36 -9.216 7.863 -1.152 1.00 0.66 H new ATOM 0 HB VAL A 36 -6.747 6.687 0.071 1.00 0.72 H new ATOM 0 HG11 VAL A 36 -8.106 4.634 0.503 1.00 0.95 H new ATOM 0 HG12 VAL A 36 -8.690 6.039 1.426 1.00 0.95 H new ATOM 0 HG13 VAL A 36 -9.560 5.509 -0.033 1.00 0.95 H new ATOM 0 HG21 VAL A 36 -7.161 4.851 -1.655 1.00 0.88 H new ATOM 0 HG22 VAL A 36 -8.547 5.786 -2.265 1.00 0.88 H new ATOM 0 HG23 VAL A 36 -6.898 6.433 -2.426 1.00 0.88 H new ATOM 412 N ALA A 37 -9.835 8.367 1.186 1.00 0.63 N ATOM 413 CA ALA A 37 -10.325 8.734 2.511 1.00 0.67 C ATOM 414 C ALA A 37 -9.549 7.985 3.616 1.00 0.57 C ATOM 415 O ALA A 37 -9.657 6.766 3.757 1.00 0.71 O ATOM 416 CB ALA A 37 -11.828 8.444 2.565 1.00 0.97 C ATOM 0 H ALA A 37 -10.534 7.880 0.625 1.00 0.63 H new ATOM 0 HA ALA A 37 -10.161 9.796 2.691 1.00 0.67 H new ATOM 0 HB1 ALA A 37 -12.215 8.711 3.548 1.00 0.97 H new ATOM 0 HB2 ALA A 37 -12.339 9.031 1.802 1.00 0.97 H new ATOM 0 HB3 ALA A 37 -12.001 7.383 2.383 1.00 0.97 H new ATOM 422 N GLY A 38 -8.760 8.718 4.403 1.00 0.52 N ATOM 423 CA GLY A 38 -8.007 8.181 5.539 1.00 0.52 C ATOM 424 C GLY A 38 -6.527 7.922 5.255 1.00 0.46 C ATOM 425 O GLY A 38 -5.859 7.285 6.068 1.00 0.44 O ATOM 0 H GLY A 38 -8.623 9.720 4.267 1.00 0.52 H new ATOM 0 HA2 GLY A 38 -8.087 8.878 6.373 1.00 0.52 H new ATOM 0 HA3 GLY A 38 -8.471 7.248 5.858 1.00 0.52 H new ATOM 429 N VAL A 39 -5.986 8.375 4.118 1.00 0.50 N ATOM 430 CA VAL A 39 -4.540 8.360 3.839 1.00 0.50 C ATOM 431 C VAL A 39 -3.891 9.690 4.249 1.00 0.53 C ATOM 432 O VAL A 39 -4.482 10.751 4.034 1.00 0.75 O ATOM 433 CB VAL A 39 -4.284 7.981 2.363 1.00 0.63 C ATOM 434 CG1 VAL A 39 -4.338 9.153 1.377 1.00 1.67 C ATOM 435 CG2 VAL A 39 -2.933 7.273 2.208 1.00 1.70 C ATOM 0 H VAL A 39 -6.542 8.766 3.357 1.00 0.50 H new ATOM 0 HA VAL A 39 -4.061 7.592 4.446 1.00 0.50 H new ATOM 0 HB VAL A 39 -5.109 7.316 2.107 1.00 0.63 H new ATOM 0 HG11 VAL A 39 -4.146 8.789 0.368 1.00 1.67 H new ATOM 0 HG12 VAL A 39 -5.325 9.615 1.415 1.00 1.67 H new ATOM 0 HG13 VAL A 39 -3.582 9.890 1.646 1.00 1.67 H new ATOM 0 HG21 VAL A 39 -2.775 7.016 1.161 1.00 1.70 H new ATOM 0 HG22 VAL A 39 -2.135 7.935 2.544 1.00 1.70 H new ATOM 0 HG23 VAL A 39 -2.927 6.364 2.809 1.00 1.70 H new ATOM 445 N GLN A 40 -2.686 9.644 4.825 1.00 0.46 N ATOM 446 CA GLN A 40 -1.807 10.806 5.010 1.00 0.53 C ATOM 447 C GLN A 40 -0.605 10.782 4.057 1.00 0.54 C ATOM 448 O GLN A 40 -0.332 11.768 3.368 1.00 0.66 O ATOM 449 CB GLN A 40 -1.319 10.856 6.466 1.00 0.59 C ATOM 450 CG GLN A 40 -2.323 11.554 7.389 1.00 0.77 C ATOM 451 CD GLN A 40 -1.764 11.867 8.779 1.00 2.03 C ATOM 452 OE1 GLN A 40 -0.584 11.695 9.087 1.00 3.43 O ATOM 453 NE2 GLN A 40 -2.585 12.335 9.687 1.00 2.13 N ATOM 0 H GLN A 40 -2.284 8.778 5.184 1.00 0.46 H new ATOM 0 HA GLN A 40 -2.387 11.699 4.779 1.00 0.53 H new ATOM 0 HB2 GLN A 40 -1.144 9.841 6.824 1.00 0.59 H new ATOM 0 HB3 GLN A 40 -0.364 11.379 6.509 1.00 0.59 H new ATOM 0 HG2 GLN A 40 -2.650 12.482 6.921 1.00 0.77 H new ATOM 0 HG3 GLN A 40 -3.205 10.923 7.495 1.00 0.77 H new ATOM 0 HE21 GLN A 40 -3.567 12.486 9.457 1.00 2.13 H new ATOM 0 HE22 GLN A 40 -2.242 12.548 10.624 1.00 2.13 H new ATOM 462 N ASP A 41 0.111 9.655 4.017 1.00 0.47 N ATOM 463 CA ASP A 41 1.393 9.480 3.336 1.00 0.55 C ATOM 464 C ASP A 41 1.560 8.025 2.870 1.00 0.46 C ATOM 465 O ASP A 41 0.895 7.105 3.349 1.00 0.35 O ATOM 466 CB ASP A 41 2.554 9.847 4.283 1.00 0.63 C ATOM 467 CG ASP A 41 2.614 11.331 4.637 1.00 0.96 C ATOM 468 OD1 ASP A 41 3.060 12.138 3.788 1.00 1.50 O ATOM 469 OD2 ASP A 41 2.278 11.708 5.785 1.00 2.11 O ATOM 0 H ASP A 41 -0.203 8.802 4.480 1.00 0.47 H new ATOM 0 HA ASP A 41 1.410 10.139 2.468 1.00 0.55 H new ATOM 0 HB2 ASP A 41 2.459 9.267 5.201 1.00 0.63 H new ATOM 0 HB3 ASP A 41 3.496 9.555 3.818 1.00 0.63 H new ATOM 474 N VAL A 42 2.487 7.813 1.944 1.00 0.51 N ATOM 475 CA VAL A 42 2.858 6.516 1.358 1.00 0.46 C ATOM 476 C VAL A 42 4.357 6.494 1.054 1.00 0.53 C ATOM 477 O VAL A 42 4.958 7.544 0.821 1.00 0.62 O ATOM 478 CB VAL A 42 2.070 6.238 0.058 1.00 0.49 C ATOM 479 CG1 VAL A 42 0.576 6.041 0.332 1.00 0.80 C ATOM 480 CG2 VAL A 42 2.213 7.322 -1.024 1.00 0.71 C ATOM 0 H VAL A 42 3.035 8.580 1.555 1.00 0.51 H new ATOM 0 HA VAL A 42 2.612 5.740 2.082 1.00 0.46 H new ATOM 0 HB VAL A 42 2.521 5.323 -0.325 1.00 0.49 H new ATOM 0 HG11 VAL A 42 0.056 5.848 -0.606 1.00 0.80 H new ATOM 0 HG12 VAL A 42 0.438 5.194 1.004 1.00 0.80 H new ATOM 0 HG13 VAL A 42 0.169 6.941 0.794 1.00 0.80 H new ATOM 0 HG21 VAL A 42 1.626 7.042 -1.899 1.00 0.71 H new ATOM 0 HG22 VAL A 42 1.853 8.274 -0.635 1.00 0.71 H new ATOM 0 HG23 VAL A 42 3.261 7.419 -1.306 1.00 0.71 H new ATOM 490 N GLU A 43 4.970 5.313 1.022 1.00 0.54 N ATOM 491 CA GLU A 43 6.361 5.145 0.579 1.00 0.67 C ATOM 492 C GLU A 43 6.556 3.760 -0.057 1.00 0.71 C ATOM 493 O GLU A 43 6.479 2.738 0.621 1.00 0.94 O ATOM 494 CB GLU A 43 7.302 5.378 1.776 1.00 0.72 C ATOM 495 CG GLU A 43 8.781 5.402 1.381 1.00 0.90 C ATOM 496 CD GLU A 43 9.669 5.773 2.577 1.00 2.10 C ATOM 497 OE1 GLU A 43 9.532 5.179 3.678 1.00 3.67 O ATOM 498 OE2 GLU A 43 10.518 6.686 2.429 1.00 2.38 O ATOM 0 H GLU A 43 4.520 4.442 1.302 1.00 0.54 H new ATOM 0 HA GLU A 43 6.602 5.880 -0.189 1.00 0.67 H new ATOM 0 HB2 GLU A 43 7.044 6.323 2.255 1.00 0.72 H new ATOM 0 HB3 GLU A 43 7.142 4.593 2.515 1.00 0.72 H new ATOM 0 HG2 GLU A 43 9.073 4.425 0.997 1.00 0.90 H new ATOM 0 HG3 GLU A 43 8.933 6.120 0.575 1.00 0.90 H new ATOM 505 N VAL A 44 6.808 3.705 -1.367 1.00 0.52 N ATOM 506 CA VAL A 44 7.061 2.456 -2.098 1.00 0.51 C ATOM 507 C VAL A 44 8.550 2.185 -2.280 1.00 0.53 C ATOM 508 O VAL A 44 9.339 3.046 -2.677 1.00 0.63 O ATOM 509 CB VAL A 44 6.249 2.344 -3.402 1.00 0.60 C ATOM 510 CG1 VAL A 44 6.200 3.589 -4.275 1.00 1.70 C ATOM 511 CG2 VAL A 44 6.728 1.197 -4.306 1.00 2.42 C ATOM 0 H VAL A 44 6.843 4.535 -1.959 1.00 0.52 H new ATOM 0 HA VAL A 44 6.688 1.649 -1.468 1.00 0.51 H new ATOM 0 HB VAL A 44 5.248 2.164 -3.011 1.00 0.60 H new ATOM 0 HG11 VAL A 44 5.600 3.388 -5.163 1.00 1.70 H new ATOM 0 HG12 VAL A 44 5.753 4.410 -3.714 1.00 1.70 H new ATOM 0 HG13 VAL A 44 7.211 3.863 -4.575 1.00 1.70 H new ATOM 0 HG21 VAL A 44 6.119 1.167 -5.209 1.00 2.42 H new ATOM 0 HG22 VAL A 44 7.771 1.359 -4.577 1.00 2.42 H new ATOM 0 HG23 VAL A 44 6.634 0.251 -3.774 1.00 2.42 H new ATOM 521 N HIS A 45 8.904 0.932 -2.017 1.00 0.51 N ATOM 522 CA HIS A 45 10.199 0.330 -2.280 1.00 0.49 C ATOM 523 C HIS A 45 10.045 -0.862 -3.232 1.00 0.43 C ATOM 524 O HIS A 45 9.937 -2.011 -2.799 1.00 0.45 O ATOM 525 CB HIS A 45 10.846 -0.089 -0.947 1.00 0.60 C ATOM 526 CG HIS A 45 11.223 1.042 -0.025 1.00 0.63 C ATOM 527 ND1 HIS A 45 12.508 1.446 0.271 1.00 0.70 N ATOM 528 CD2 HIS A 45 10.374 1.811 0.728 1.00 0.67 C ATOM 529 CE1 HIS A 45 12.439 2.450 1.157 1.00 0.77 C ATOM 530 NE2 HIS A 45 11.155 2.726 1.447 1.00 0.74 N ATOM 0 H HIS A 45 8.253 0.273 -1.589 1.00 0.51 H new ATOM 0 HA HIS A 45 10.852 1.055 -2.766 1.00 0.49 H new ATOM 0 HB2 HIS A 45 10.157 -0.749 -0.421 1.00 0.60 H new ATOM 0 HB3 HIS A 45 11.742 -0.671 -1.165 1.00 0.60 H new ATOM 0 HD1 HIS A 45 13.364 1.049 -0.117 1.00 0.70 H new ATOM 0 HD2 HIS A 45 9.298 1.727 0.761 1.00 0.67 H new ATOM 0 HE1 HIS A 45 13.291 2.963 1.577 1.00 0.77 H new ATOM 538 N LEU A 46 10.074 -0.608 -4.543 1.00 0.45 N ATOM 539 CA LEU A 46 10.131 -1.657 -5.572 1.00 0.51 C ATOM 540 C LEU A 46 11.335 -2.585 -5.369 1.00 0.50 C ATOM 541 O LEU A 46 11.248 -3.802 -5.491 1.00 0.59 O ATOM 542 CB LEU A 46 10.174 -0.968 -6.931 1.00 0.65 C ATOM 543 CG LEU A 46 10.179 -1.893 -8.175 1.00 0.88 C ATOM 544 CD1 LEU A 46 9.553 -3.287 -8.051 1.00 2.31 C ATOM 545 CD2 LEU A 46 9.258 -1.221 -9.171 1.00 1.14 C ATOM 0 H LEU A 46 10.059 0.337 -4.926 1.00 0.45 H new ATOM 0 HA LEU A 46 9.250 -2.295 -5.504 1.00 0.51 H new ATOM 0 HB2 LEU A 46 9.314 -0.303 -7.004 1.00 0.65 H new ATOM 0 HB3 LEU A 46 11.065 -0.342 -6.968 1.00 0.65 H new ATOM 0 HG LEU A 46 11.235 -2.029 -8.408 1.00 0.88 H new ATOM 0 HD11 LEU A 46 9.635 -3.809 -9.004 1.00 2.31 H new ATOM 0 HD12 LEU A 46 10.076 -3.854 -7.281 1.00 2.31 H new ATOM 0 HD13 LEU A 46 8.502 -3.191 -7.780 1.00 2.31 H new ATOM 0 HD21 LEU A 46 9.209 -1.818 -10.082 1.00 1.14 H new ATOM 0 HD22 LEU A 46 8.260 -1.132 -8.741 1.00 1.14 H new ATOM 0 HD23 LEU A 46 9.641 -0.228 -9.408 1.00 1.14 H new ATOM 557 N GLU A 47 12.443 -2.014 -4.928 1.00 0.47 N ATOM 558 CA GLU A 47 13.672 -2.746 -4.602 1.00 0.54 C ATOM 559 C GLU A 47 13.534 -3.691 -3.384 1.00 0.54 C ATOM 560 O GLU A 47 14.429 -4.499 -3.137 1.00 0.73 O ATOM 561 CB GLU A 47 14.827 -1.736 -4.503 1.00 0.63 C ATOM 562 CG GLU A 47 15.153 -1.170 -5.902 1.00 1.06 C ATOM 563 CD GLU A 47 15.604 0.292 -5.855 1.00 1.67 C ATOM 564 OE1 GLU A 47 16.768 0.560 -5.477 1.00 2.02 O ATOM 565 OE2 GLU A 47 14.809 1.188 -6.238 1.00 2.99 O ATOM 0 H GLU A 47 12.523 -1.008 -4.781 1.00 0.47 H new ATOM 0 HA GLU A 47 13.897 -3.445 -5.408 1.00 0.54 H new ATOM 0 HB2 GLU A 47 14.555 -0.925 -3.828 1.00 0.63 H new ATOM 0 HB3 GLU A 47 15.709 -2.219 -4.082 1.00 0.63 H new ATOM 0 HG2 GLU A 47 15.936 -1.773 -6.361 1.00 1.06 H new ATOM 0 HG3 GLU A 47 14.272 -1.254 -6.538 1.00 1.06 H new ATOM 572 N ASP A 48 12.389 -3.697 -2.686 1.00 0.48 N ATOM 573 CA ASP A 48 11.947 -4.784 -1.790 1.00 0.52 C ATOM 574 C ASP A 48 10.587 -5.410 -2.183 1.00 0.45 C ATOM 575 O ASP A 48 10.095 -6.289 -1.473 1.00 0.50 O ATOM 576 CB ASP A 48 11.884 -4.266 -0.340 1.00 0.67 C ATOM 577 CG ASP A 48 12.340 -5.309 0.683 1.00 1.50 C ATOM 578 OD1 ASP A 48 13.479 -5.821 0.570 1.00 2.52 O ATOM 579 OD2 ASP A 48 11.575 -5.593 1.636 1.00 2.16 O ATOM 0 H ASP A 48 11.723 -2.925 -2.728 1.00 0.48 H new ATOM 0 HA ASP A 48 12.686 -5.580 -1.885 1.00 0.52 H new ATOM 0 HB2 ASP A 48 12.509 -3.377 -0.249 1.00 0.67 H new ATOM 0 HB3 ASP A 48 10.862 -3.962 -0.112 1.00 0.67 H new ATOM 584 N GLN A 49 9.946 -4.936 -3.262 1.00 0.39 N ATOM 585 CA GLN A 49 8.507 -5.085 -3.566 1.00 0.32 C ATOM 586 C GLN A 49 7.614 -4.767 -2.347 1.00 0.29 C ATOM 587 O GLN A 49 6.607 -5.439 -2.103 1.00 0.36 O ATOM 588 CB GLN A 49 8.207 -6.475 -4.145 1.00 0.41 C ATOM 589 CG GLN A 49 8.944 -6.827 -5.423 1.00 0.59 C ATOM 590 CD GLN A 49 8.425 -8.106 -6.078 1.00 2.44 C ATOM 591 OE1 GLN A 49 8.381 -9.172 -5.478 1.00 2.86 O ATOM 592 NE2 GLN A 49 8.032 -8.079 -7.331 1.00 3.88 N ATOM 0 H GLN A 49 10.438 -4.411 -3.985 1.00 0.39 H new ATOM 0 HA GLN A 49 8.261 -4.346 -4.329 1.00 0.32 H new ATOM 0 HB2 GLN A 49 8.449 -7.223 -3.390 1.00 0.41 H new ATOM 0 HB3 GLN A 49 7.136 -6.547 -4.333 1.00 0.41 H new ATOM 0 HG2 GLN A 49 8.852 -6.001 -6.128 1.00 0.59 H new ATOM 0 HG3 GLN A 49 10.005 -6.942 -5.204 1.00 0.59 H new ATOM 0 HE21 GLN A 49 8.058 -7.204 -7.855 1.00 3.88 H new ATOM 0 HE22 GLN A 49 7.701 -8.933 -7.780 1.00 3.88 H new ATOM 601 N MET A 50 8.013 -3.769 -1.553 1.00 0.35 N ATOM 602 CA MET A 50 7.315 -3.338 -0.343 1.00 0.33 C ATOM 603 C MET A 50 6.644 -1.974 -0.533 1.00 0.32 C ATOM 604 O MET A 50 7.181 -1.105 -1.218 1.00 0.44 O ATOM 605 CB MET A 50 8.296 -3.313 0.838 1.00 0.40 C ATOM 606 CG MET A 50 7.660 -2.800 2.140 1.00 0.42 C ATOM 607 SD MET A 50 8.402 -3.416 3.668 1.00 0.90 S ATOM 608 CE MET A 50 7.882 -5.143 3.509 1.00 0.65 C ATOM 0 H MET A 50 8.855 -3.225 -1.742 1.00 0.35 H new ATOM 0 HA MET A 50 6.521 -4.054 -0.129 1.00 0.33 H new ATOM 0 HB2 MET A 50 8.684 -4.318 1.002 1.00 0.40 H new ATOM 0 HB3 MET A 50 9.147 -2.681 0.583 1.00 0.40 H new ATOM 0 HG2 MET A 50 7.713 -1.711 2.145 1.00 0.42 H new ATOM 0 HG3 MET A 50 6.603 -3.067 2.137 1.00 0.42 H new ATOM 0 HE1 MET A 50 7.833 -5.601 4.497 1.00 0.65 H new ATOM 0 HE2 MET A 50 6.899 -5.185 3.040 1.00 0.65 H new ATOM 0 HE3 MET A 50 8.601 -5.684 2.894 1.00 0.65 H new ATOM 618 N VAL A 51 5.500 -1.748 0.114 1.00 0.26 N ATOM 619 CA VAL A 51 4.821 -0.451 0.162 1.00 0.33 C ATOM 620 C VAL A 51 4.364 -0.126 1.587 1.00 0.27 C ATOM 621 O VAL A 51 3.592 -0.870 2.186 1.00 0.42 O ATOM 622 CB VAL A 51 3.647 -0.423 -0.835 1.00 0.59 C ATOM 623 CG1 VAL A 51 3.132 1.008 -0.965 1.00 0.75 C ATOM 624 CG2 VAL A 51 4.088 -0.788 -2.256 1.00 1.26 C ATOM 0 H VAL A 51 5.008 -2.477 0.631 1.00 0.26 H new ATOM 0 HA VAL A 51 5.528 0.324 -0.135 1.00 0.33 H new ATOM 0 HB VAL A 51 2.908 -1.129 -0.456 1.00 0.59 H new ATOM 0 HG11 VAL A 51 2.301 1.033 -1.670 1.00 0.75 H new ATOM 0 HG12 VAL A 51 2.793 1.363 0.008 1.00 0.75 H new ATOM 0 HG13 VAL A 51 3.934 1.652 -1.327 1.00 0.75 H new ATOM 0 HG21 VAL A 51 3.227 -0.755 -2.924 1.00 1.26 H new ATOM 0 HG22 VAL A 51 4.840 -0.077 -2.598 1.00 1.26 H new ATOM 0 HG23 VAL A 51 4.511 -1.792 -2.259 1.00 1.26 H new ATOM 634 N LEU A 52 4.842 0.997 2.127 1.00 0.47 N ATOM 635 CA LEU A 52 4.381 1.590 3.381 1.00 0.48 C ATOM 636 C LEU A 52 3.172 2.489 3.096 1.00 0.42 C ATOM 637 O LEU A 52 3.168 3.256 2.129 1.00 0.47 O ATOM 638 CB LEU A 52 5.483 2.447 4.032 1.00 0.59 C ATOM 639 CG LEU A 52 6.750 1.688 4.492 1.00 0.62 C ATOM 640 CD1 LEU A 52 7.783 1.498 3.376 1.00 0.93 C ATOM 641 CD2 LEU A 52 7.452 2.446 5.619 1.00 1.22 C ATOM 0 H LEU A 52 5.587 1.536 1.686 1.00 0.47 H new ATOM 0 HA LEU A 52 4.115 0.782 4.062 1.00 0.48 H new ATOM 0 HB2 LEU A 52 5.783 3.218 3.322 1.00 0.59 H new ATOM 0 HB3 LEU A 52 5.056 2.958 4.895 1.00 0.59 H new ATOM 0 HG LEU A 52 6.394 0.711 4.819 1.00 0.62 H new ATOM 0 HD11 LEU A 52 8.646 0.959 3.767 1.00 0.93 H new ATOM 0 HD12 LEU A 52 7.337 0.928 2.561 1.00 0.93 H new ATOM 0 HD13 LEU A 52 8.101 2.472 3.005 1.00 0.93 H new ATOM 0 HD21 LEU A 52 8.341 1.896 5.929 1.00 1.22 H new ATOM 0 HD22 LEU A 52 7.742 3.436 5.266 1.00 1.22 H new ATOM 0 HD23 LEU A 52 6.774 2.547 6.467 1.00 1.22 H new ATOM 653 N VAL A 53 2.162 2.418 3.957 1.00 0.33 N ATOM 654 CA VAL A 53 0.905 3.155 3.837 1.00 0.30 C ATOM 655 C VAL A 53 0.569 3.766 5.196 1.00 0.23 C ATOM 656 O VAL A 53 0.190 3.055 6.124 1.00 0.19 O ATOM 657 CB VAL A 53 -0.215 2.228 3.319 1.00 0.31 C ATOM 658 CG1 VAL A 53 -1.477 3.045 3.016 1.00 0.35 C ATOM 659 CG2 VAL A 53 0.171 1.478 2.035 1.00 0.39 C ATOM 0 H VAL A 53 2.195 1.826 4.787 1.00 0.33 H new ATOM 0 HA VAL A 53 1.003 3.961 3.110 1.00 0.30 H new ATOM 0 HB VAL A 53 -0.389 1.498 4.109 1.00 0.31 H new ATOM 0 HG11 VAL A 53 -2.261 2.382 2.651 1.00 0.35 H new ATOM 0 HG12 VAL A 53 -1.816 3.542 3.925 1.00 0.35 H new ATOM 0 HG13 VAL A 53 -1.252 3.793 2.256 1.00 0.35 H new ATOM 0 HG21 VAL A 53 -0.658 0.843 1.721 1.00 0.39 H new ATOM 0 HG22 VAL A 53 0.396 2.197 1.247 1.00 0.39 H new ATOM 0 HG23 VAL A 53 1.049 0.861 2.224 1.00 0.39 H new ATOM 669 N HIS A 54 0.733 5.079 5.324 1.00 0.28 N ATOM 670 CA HIS A 54 0.390 5.847 6.524 1.00 0.24 C ATOM 671 C HIS A 54 -1.106 6.218 6.492 1.00 0.27 C ATOM 672 O HIS A 54 -1.519 7.145 5.786 1.00 0.32 O ATOM 673 CB HIS A 54 1.299 7.081 6.630 1.00 0.29 C ATOM 674 CG HIS A 54 2.785 6.778 6.585 1.00 0.38 C ATOM 675 ND1 HIS A 54 3.649 6.886 7.646 1.00 0.56 N ATOM 676 CD2 HIS A 54 3.530 6.343 5.517 1.00 0.44 C ATOM 677 CE1 HIS A 54 4.875 6.523 7.236 1.00 0.69 C ATOM 678 NE2 HIS A 54 4.857 6.172 5.938 1.00 0.63 N ATOM 0 H HIS A 54 1.118 5.657 4.577 1.00 0.28 H new ATOM 0 HA HIS A 54 0.558 5.245 7.417 1.00 0.24 H new ATOM 0 HB2 HIS A 54 1.057 7.765 5.817 1.00 0.29 H new ATOM 0 HB3 HIS A 54 1.076 7.601 7.562 1.00 0.29 H new ATOM 0 HD2 HIS A 54 3.157 6.163 4.520 1.00 0.44 H new ATOM 0 HE1 HIS A 54 5.755 6.514 7.863 1.00 0.69 H new ATOM 0 HE2 HIS A 54 5.645 5.849 5.376 1.00 0.63 H new ATOM 686 N THR A 55 -1.942 5.459 7.209 1.00 0.28 N ATOM 687 CA THR A 55 -3.408 5.501 7.052 1.00 0.34 C ATOM 688 C THR A 55 -4.186 5.147 8.325 1.00 0.37 C ATOM 689 O THR A 55 -3.719 4.383 9.172 1.00 0.40 O ATOM 690 CB THR A 55 -3.840 4.591 5.891 1.00 0.38 C ATOM 691 OG1 THR A 55 -5.221 4.706 5.656 1.00 0.47 O ATOM 692 CG2 THR A 55 -3.557 3.105 6.109 1.00 0.38 C ATOM 0 H THR A 55 -1.625 4.796 7.916 1.00 0.28 H new ATOM 0 HA THR A 55 -3.658 6.539 6.831 1.00 0.34 H new ATOM 0 HB THR A 55 -3.243 4.936 5.047 1.00 0.38 H new ATOM 0 HG1 THR A 55 -5.464 5.653 5.592 1.00 0.47 H new ATOM 0 HG21 THR A 55 -3.894 2.539 5.241 1.00 0.38 H new ATOM 0 HG22 THR A 55 -2.486 2.955 6.246 1.00 0.38 H new ATOM 0 HG23 THR A 55 -4.089 2.760 6.996 1.00 0.38 H new ATOM 700 N THR A 56 -5.401 5.690 8.441 1.00 0.43 N ATOM 701 CA THR A 56 -6.411 5.316 9.447 1.00 0.51 C ATOM 702 C THR A 56 -7.204 4.061 9.067 1.00 0.59 C ATOM 703 O THR A 56 -7.950 3.549 9.897 1.00 0.70 O ATOM 704 CB THR A 56 -7.391 6.473 9.713 1.00 0.63 C ATOM 705 OG1 THR A 56 -8.039 6.890 8.531 1.00 0.84 O ATOM 706 CG2 THR A 56 -6.673 7.705 10.254 1.00 0.45 C ATOM 0 H THR A 56 -5.724 6.429 7.817 1.00 0.43 H new ATOM 0 HA THR A 56 -5.850 5.093 10.354 1.00 0.51 H new ATOM 0 HB THR A 56 -8.107 6.084 10.437 1.00 0.63 H new ATOM 0 HG1 THR A 56 -8.654 7.624 8.737 1.00 0.84 H new ATOM 0 HG21 THR A 56 -7.397 8.500 10.429 1.00 0.45 H new ATOM 0 HG22 THR A 56 -6.175 7.454 11.191 1.00 0.45 H new ATOM 0 HG23 THR A 56 -5.932 8.042 9.529 1.00 0.45 H new ATOM 714 N LEU A 57 -7.061 3.558 7.838 1.00 0.58 N ATOM 715 CA LEU A 57 -7.756 2.364 7.354 1.00 0.61 C ATOM 716 C LEU A 57 -7.238 1.093 8.058 1.00 0.57 C ATOM 717 O LEU A 57 -6.034 1.003 8.320 1.00 0.68 O ATOM 718 CB LEU A 57 -7.546 2.243 5.833 1.00 0.62 C ATOM 719 CG LEU A 57 -8.170 3.373 4.995 1.00 0.70 C ATOM 720 CD1 LEU A 57 -7.656 3.286 3.558 1.00 0.88 C ATOM 721 CD2 LEU A 57 -9.695 3.249 4.945 1.00 1.09 C ATOM 0 H LEU A 57 -6.448 3.977 7.139 1.00 0.58 H new ATOM 0 HA LEU A 57 -8.818 2.461 7.579 1.00 0.61 H new ATOM 0 HB2 LEU A 57 -6.475 2.211 5.631 1.00 0.62 H new ATOM 0 HB3 LEU A 57 -7.962 1.292 5.499 1.00 0.62 H new ATOM 0 HG LEU A 57 -7.894 4.320 5.460 1.00 0.70 H new ATOM 0 HD11 LEU A 57 -8.098 4.086 2.964 1.00 0.88 H new ATOM 0 HD12 LEU A 57 -6.571 3.387 3.553 1.00 0.88 H new ATOM 0 HD13 LEU A 57 -7.932 2.322 3.130 1.00 0.88 H new ATOM 0 HD21 LEU A 57 -10.107 4.061 4.346 1.00 1.09 H new ATOM 0 HD22 LEU A 57 -9.968 2.293 4.497 1.00 1.09 H new ATOM 0 HD23 LEU A 57 -10.098 3.304 5.956 1.00 1.09 H new ATOM 733 N PRO A 58 -8.079 0.069 8.310 1.00 0.47 N ATOM 734 CA PRO A 58 -7.617 -1.228 8.792 1.00 0.49 C ATOM 735 C PRO A 58 -6.894 -1.944 7.655 1.00 0.45 C ATOM 736 O PRO A 58 -7.367 -1.923 6.516 1.00 0.40 O ATOM 737 CB PRO A 58 -8.873 -2.014 9.205 1.00 0.50 C ATOM 738 CG PRO A 58 -10.008 -0.991 9.128 1.00 0.49 C ATOM 739 CD PRO A 58 -9.506 -0.022 8.064 1.00 0.42 C ATOM 0 HA PRO A 58 -6.930 -1.133 9.633 1.00 0.49 H new ATOM 0 HB2 PRO A 58 -9.052 -2.856 8.537 1.00 0.50 H new ATOM 0 HB3 PRO A 58 -8.773 -2.421 10.211 1.00 0.50 H new ATOM 0 HG2 PRO A 58 -10.953 -1.454 8.842 1.00 0.49 H new ATOM 0 HG3 PRO A 58 -10.172 -0.494 10.084 1.00 0.49 H new ATOM 0 HD2 PRO A 58 -9.714 -0.391 7.060 1.00 0.42 H new ATOM 0 HD3 PRO A 58 -9.988 0.951 8.153 1.00 0.42 H new ATOM 747 N SER A 59 -5.809 -2.663 7.937 1.00 0.50 N ATOM 748 CA SER A 59 -5.092 -3.429 6.904 1.00 0.45 C ATOM 749 C SER A 59 -5.964 -4.457 6.172 1.00 0.35 C ATOM 750 O SER A 59 -5.647 -4.787 5.036 1.00 0.39 O ATOM 751 CB SER A 59 -3.827 -4.097 7.448 1.00 0.51 C ATOM 752 OG SER A 59 -3.995 -4.574 8.774 1.00 0.84 O ATOM 0 H SER A 59 -5.403 -2.735 8.870 1.00 0.50 H new ATOM 0 HA SER A 59 -4.800 -2.682 6.166 1.00 0.45 H new ATOM 0 HB2 SER A 59 -3.550 -4.927 6.798 1.00 0.51 H new ATOM 0 HB3 SER A 59 -3.003 -3.384 7.423 1.00 0.51 H new ATOM 0 HG SER A 59 -3.117 -4.697 9.191 1.00 0.84 H new ATOM 758 N GLN A 60 -7.095 -4.881 6.744 1.00 0.37 N ATOM 759 CA GLN A 60 -8.102 -5.711 6.068 1.00 0.38 C ATOM 760 C GLN A 60 -8.753 -5.002 4.859 1.00 0.40 C ATOM 761 O GLN A 60 -9.085 -5.665 3.869 1.00 0.52 O ATOM 762 CB GLN A 60 -9.183 -6.157 7.069 1.00 0.46 C ATOM 763 CG GLN A 60 -8.623 -6.863 8.317 1.00 0.68 C ATOM 764 CD GLN A 60 -8.249 -5.898 9.417 1.00 1.54 C ATOM 765 OE1 GLN A 60 -9.087 -5.247 10.034 1.00 2.36 O ATOM 766 NE2 GLN A 60 -6.989 -5.767 9.727 1.00 2.73 N ATOM 0 H GLN A 60 -7.343 -4.654 7.707 1.00 0.37 H new ATOM 0 HA GLN A 60 -7.580 -6.585 5.678 1.00 0.38 H new ATOM 0 HB2 GLN A 60 -9.756 -5.284 7.383 1.00 0.46 H new ATOM 0 HB3 GLN A 60 -9.877 -6.829 6.564 1.00 0.46 H new ATOM 0 HG2 GLN A 60 -9.365 -7.567 8.694 1.00 0.68 H new ATOM 0 HG3 GLN A 60 -7.745 -7.445 8.036 1.00 0.68 H new ATOM 0 HE21 GLN A 60 -6.282 -6.302 9.223 1.00 2.73 H new ATOM 0 HE22 GLN A 60 -6.711 -5.130 10.474 1.00 2.73 H new ATOM 775 N GLU A 61 -8.887 -3.665 4.886 1.00 0.38 N ATOM 776 CA GLU A 61 -9.263 -2.879 3.702 1.00 0.48 C ATOM 777 C GLU A 61 -8.064 -2.612 2.810 1.00 0.46 C ATOM 778 O GLU A 61 -8.160 -2.769 1.603 1.00 0.58 O ATOM 779 CB GLU A 61 -9.875 -1.534 4.041 1.00 0.80 C ATOM 780 CG GLU A 61 -11.064 -1.695 4.958 1.00 1.38 C ATOM 781 CD GLU A 61 -12.190 -2.607 4.450 1.00 2.86 C ATOM 782 OE1 GLU A 61 -13.092 -2.101 3.734 1.00 3.45 O ATOM 783 OE2 GLU A 61 -12.182 -3.819 4.767 1.00 4.40 O ATOM 0 H GLU A 61 -8.738 -3.103 5.724 1.00 0.38 H new ATOM 0 HA GLU A 61 -10.006 -3.491 3.191 1.00 0.48 H new ATOM 0 HB2 GLU A 61 -9.127 -0.900 4.518 1.00 0.80 H new ATOM 0 HB3 GLU A 61 -10.183 -1.030 3.125 1.00 0.80 H new ATOM 0 HG2 GLU A 61 -10.711 -2.085 5.913 1.00 1.38 H new ATOM 0 HG3 GLU A 61 -11.483 -0.708 5.153 1.00 1.38 H new ATOM 790 N VAL A 62 -6.920 -2.212 3.372 1.00 0.36 N ATOM 791 CA VAL A 62 -5.766 -1.787 2.582 1.00 0.33 C ATOM 792 C VAL A 62 -5.222 -2.960 1.769 1.00 0.32 C ATOM 793 O VAL A 62 -4.956 -2.786 0.588 1.00 0.34 O ATOM 794 CB VAL A 62 -4.683 -1.157 3.475 1.00 0.28 C ATOM 795 CG1 VAL A 62 -3.661 -0.415 2.620 1.00 0.34 C ATOM 796 CG2 VAL A 62 -5.203 -0.143 4.495 1.00 0.41 C ATOM 0 H VAL A 62 -6.770 -2.174 4.380 1.00 0.36 H new ATOM 0 HA VAL A 62 -6.088 -1.015 1.882 1.00 0.33 H new ATOM 0 HB VAL A 62 -4.256 -2.002 4.016 1.00 0.28 H new ATOM 0 HG11 VAL A 62 -2.900 0.026 3.264 1.00 0.34 H new ATOM 0 HG12 VAL A 62 -3.190 -1.113 1.928 1.00 0.34 H new ATOM 0 HG13 VAL A 62 -4.161 0.373 2.057 1.00 0.34 H new ATOM 0 HG21 VAL A 62 -4.369 0.247 5.078 1.00 0.41 H new ATOM 0 HG22 VAL A 62 -5.696 0.677 3.974 1.00 0.41 H new ATOM 0 HG23 VAL A 62 -5.915 -0.630 5.161 1.00 0.41 H new ATOM 806 N GLN A 63 -5.188 -4.174 2.329 1.00 0.30 N ATOM 807 CA GLN A 63 -4.939 -5.422 1.600 1.00 0.30 C ATOM 808 C GLN A 63 -5.878 -5.559 0.397 1.00 0.35 C ATOM 809 O GLN A 63 -5.423 -5.902 -0.689 1.00 0.45 O ATOM 810 CB GLN A 63 -5.128 -6.607 2.568 1.00 0.28 C ATOM 811 CG GLN A 63 -4.958 -7.992 1.922 1.00 0.46 C ATOM 812 CD GLN A 63 -5.469 -9.102 2.842 1.00 0.74 C ATOM 813 OE1 GLN A 63 -4.856 -9.482 3.833 1.00 0.99 O ATOM 814 NE2 GLN A 63 -6.634 -9.638 2.573 1.00 1.91 N ATOM 0 H GLN A 63 -5.337 -4.319 3.328 1.00 0.30 H new ATOM 0 HA GLN A 63 -3.919 -5.414 1.217 1.00 0.30 H new ATOM 0 HB2 GLN A 63 -4.412 -6.511 3.384 1.00 0.28 H new ATOM 0 HB3 GLN A 63 -6.123 -6.545 3.008 1.00 0.28 H new ATOM 0 HG2 GLN A 63 -5.499 -8.023 0.976 1.00 0.46 H new ATOM 0 HG3 GLN A 63 -3.906 -8.162 1.693 1.00 0.46 H new ATOM 0 HE21 GLN A 63 -7.158 -9.334 1.752 1.00 1.91 H new ATOM 0 HE22 GLN A 63 -7.017 -10.359 3.184 1.00 1.91 H new ATOM 823 N ALA A 64 -7.166 -5.254 0.568 1.00 0.35 N ATOM 824 CA ALA A 64 -8.158 -5.375 -0.488 1.00 0.41 C ATOM 825 C ALA A 64 -8.035 -4.239 -1.529 1.00 0.43 C ATOM 826 O ALA A 64 -8.293 -4.443 -2.715 1.00 0.53 O ATOM 827 CB ALA A 64 -9.548 -5.392 0.171 1.00 0.47 C ATOM 0 H ALA A 64 -7.547 -4.914 1.451 1.00 0.35 H new ATOM 0 HA ALA A 64 -7.996 -6.301 -1.040 1.00 0.41 H new ATOM 0 HB1 ALA A 64 -10.315 -5.482 -0.599 1.00 0.47 H new ATOM 0 HB2 ALA A 64 -9.617 -6.240 0.853 1.00 0.47 H new ATOM 0 HB3 ALA A 64 -9.699 -4.466 0.726 1.00 0.47 H new ATOM 833 N LEU A 65 -7.595 -3.056 -1.095 1.00 0.40 N ATOM 834 CA LEU A 65 -7.381 -1.857 -1.910 1.00 0.43 C ATOM 835 C LEU A 65 -6.118 -1.969 -2.785 1.00 0.38 C ATOM 836 O LEU A 65 -6.093 -1.568 -3.952 1.00 0.43 O ATOM 837 CB LEU A 65 -7.327 -0.649 -0.967 1.00 0.46 C ATOM 838 CG LEU A 65 -8.719 -0.278 -0.407 1.00 0.62 C ATOM 839 CD1 LEU A 65 -8.599 0.570 0.857 1.00 0.79 C ATOM 840 CD2 LEU A 65 -9.547 0.509 -1.422 1.00 0.65 C ATOM 0 H LEU A 65 -7.366 -2.900 -0.113 1.00 0.40 H new ATOM 0 HA LEU A 65 -8.206 -1.737 -2.612 1.00 0.43 H new ATOM 0 HB2 LEU A 65 -6.652 -0.867 -0.140 1.00 0.46 H new ATOM 0 HB3 LEU A 65 -6.913 0.207 -1.500 1.00 0.46 H new ATOM 0 HG LEU A 65 -9.216 -1.221 -0.181 1.00 0.62 H new ATOM 0 HD11 LEU A 65 -9.595 0.815 1.227 1.00 0.79 H new ATOM 0 HD12 LEU A 65 -8.056 0.012 1.619 1.00 0.79 H new ATOM 0 HD13 LEU A 65 -8.061 1.490 0.628 1.00 0.79 H new ATOM 0 HD21 LEU A 65 -10.518 0.751 -0.990 1.00 0.65 H new ATOM 0 HD22 LEU A 65 -9.026 1.431 -1.681 1.00 0.65 H new ATOM 0 HD23 LEU A 65 -9.689 -0.092 -2.320 1.00 0.65 H new ATOM 852 N LEU A 66 -5.086 -2.587 -2.215 1.00 0.32 N ATOM 853 CA LEU A 66 -3.881 -3.087 -2.881 1.00 0.37 C ATOM 854 C LEU A 66 -4.217 -4.252 -3.834 1.00 0.41 C ATOM 855 O LEU A 66 -3.778 -4.247 -4.978 1.00 0.51 O ATOM 856 CB LEU A 66 -2.861 -3.502 -1.799 1.00 0.34 C ATOM 857 CG LEU A 66 -2.311 -2.333 -0.949 1.00 0.34 C ATOM 858 CD1 LEU A 66 -1.735 -2.853 0.374 1.00 0.33 C ATOM 859 CD2 LEU A 66 -1.231 -1.547 -1.697 1.00 0.39 C ATOM 0 H LEU A 66 -5.066 -2.764 -1.211 1.00 0.32 H new ATOM 0 HA LEU A 66 -3.445 -2.302 -3.499 1.00 0.37 H new ATOM 0 HB2 LEU A 66 -3.331 -4.227 -1.135 1.00 0.34 H new ATOM 0 HB3 LEU A 66 -2.025 -4.007 -2.282 1.00 0.34 H new ATOM 0 HG LEU A 66 -3.147 -1.663 -0.747 1.00 0.34 H new ATOM 0 HD11 LEU A 66 -1.353 -2.016 0.958 1.00 0.33 H new ATOM 0 HD12 LEU A 66 -2.518 -3.361 0.937 1.00 0.33 H new ATOM 0 HD13 LEU A 66 -0.924 -3.552 0.168 1.00 0.33 H new ATOM 0 HD21 LEU A 66 -0.870 -0.734 -1.067 1.00 0.39 H new ATOM 0 HD22 LEU A 66 -0.402 -2.211 -1.943 1.00 0.39 H new ATOM 0 HD23 LEU A 66 -1.651 -1.135 -2.615 1.00 0.39 H new ATOM 871 N GLU A 67 -5.079 -5.194 -3.452 1.00 0.41 N ATOM 872 CA GLU A 67 -5.622 -6.236 -4.348 1.00 0.53 C ATOM 873 C GLU A 67 -6.473 -5.665 -5.505 1.00 0.52 C ATOM 874 O GLU A 67 -6.540 -6.261 -6.587 1.00 0.70 O ATOM 875 CB GLU A 67 -6.422 -7.229 -3.491 1.00 0.67 C ATOM 876 CG GLU A 67 -5.534 -8.302 -2.826 1.00 0.53 C ATOM 877 CD GLU A 67 -5.605 -9.695 -3.466 1.00 1.31 C ATOM 878 OE1 GLU A 67 -6.329 -9.915 -4.468 1.00 2.69 O ATOM 879 OE2 GLU A 67 -4.974 -10.633 -2.923 1.00 1.92 O ATOM 0 H GLU A 67 -5.431 -5.263 -2.497 1.00 0.41 H new ATOM 0 HA GLU A 67 -4.791 -6.742 -4.839 1.00 0.53 H new ATOM 0 HB2 GLU A 67 -6.961 -6.681 -2.718 1.00 0.67 H new ATOM 0 HB3 GLU A 67 -7.169 -7.719 -4.115 1.00 0.67 H new ATOM 0 HG2 GLU A 67 -4.499 -7.961 -2.850 1.00 0.53 H new ATOM 0 HG3 GLU A 67 -5.817 -8.386 -1.777 1.00 0.53 H new ATOM 886 N GLY A 68 -7.032 -4.461 -5.328 1.00 0.39 N ATOM 887 CA GLY A 68 -7.643 -3.620 -6.368 1.00 0.47 C ATOM 888 C GLY A 68 -6.668 -3.091 -7.433 1.00 0.41 C ATOM 889 O GLY A 68 -7.109 -2.550 -8.448 1.00 0.58 O ATOM 0 H GLY A 68 -7.073 -4.023 -4.408 1.00 0.39 H new ATOM 0 HA2 GLY A 68 -8.424 -4.194 -6.866 1.00 0.47 H new ATOM 0 HA3 GLY A 68 -8.129 -2.770 -5.888 1.00 0.47 H new ATOM 893 N THR A 69 -5.358 -3.286 -7.236 1.00 0.31 N ATOM 894 CA THR A 69 -4.285 -3.027 -8.223 1.00 0.41 C ATOM 895 C THR A 69 -3.949 -4.283 -9.054 1.00 0.58 C ATOM 896 O THR A 69 -3.034 -4.257 -9.882 1.00 0.81 O ATOM 897 CB THR A 69 -3.022 -2.429 -7.562 1.00 0.42 C ATOM 898 OG1 THR A 69 -2.273 -3.385 -6.858 1.00 0.66 O ATOM 899 CG2 THR A 69 -3.380 -1.283 -6.624 1.00 0.64 C ATOM 0 H THR A 69 -4.995 -3.642 -6.352 1.00 0.31 H new ATOM 0 HA THR A 69 -4.671 -2.278 -8.914 1.00 0.41 H new ATOM 0 HB THR A 69 -2.407 -2.054 -8.380 1.00 0.42 H new ATOM 0 HG1 THR A 69 -2.880 -4.003 -6.399 1.00 0.66 H new ATOM 0 HG21 THR A 69 -2.471 -0.883 -6.174 1.00 0.64 H new ATOM 0 HG22 THR A 69 -3.883 -0.496 -7.186 1.00 0.64 H new ATOM 0 HG23 THR A 69 -4.042 -1.648 -5.839 1.00 0.64 H new ATOM 907 N GLY A 70 -4.669 -5.395 -8.831 1.00 0.57 N ATOM 908 CA GLY A 70 -4.532 -6.677 -9.541 1.00 0.82 C ATOM 909 C GLY A 70 -3.434 -7.613 -9.016 1.00 0.93 C ATOM 910 O GLY A 70 -3.050 -8.556 -9.715 1.00 1.23 O ATOM 0 H GLY A 70 -5.397 -5.426 -8.117 1.00 0.57 H new ATOM 0 HA2 GLY A 70 -5.486 -7.202 -9.492 1.00 0.82 H new ATOM 0 HA3 GLY A 70 -4.335 -6.470 -10.593 1.00 0.82 H new ATOM 914 N ARG A 71 -2.903 -7.344 -7.817 1.00 0.79 N ATOM 915 CA ARG A 71 -1.672 -7.911 -7.261 1.00 0.84 C ATOM 916 C ARG A 71 -1.929 -8.529 -5.888 1.00 0.81 C ATOM 917 O ARG A 71 -2.729 -8.016 -5.109 1.00 1.00 O ATOM 918 CB ARG A 71 -0.629 -6.783 -7.140 1.00 1.10 C ATOM 919 CG ARG A 71 -0.291 -6.142 -8.493 1.00 0.89 C ATOM 920 CD ARG A 71 0.465 -4.823 -8.312 1.00 0.62 C ATOM 921 NE ARG A 71 0.511 -4.070 -9.575 1.00 0.81 N ATOM 922 CZ ARG A 71 1.214 -4.350 -10.652 1.00 0.95 C ATOM 923 NH1 ARG A 71 2.094 -5.305 -10.696 1.00 2.38 N ATOM 924 NH2 ARG A 71 1.021 -3.644 -11.721 1.00 0.94 N ATOM 0 H ARG A 71 -3.347 -6.688 -7.174 1.00 0.79 H new ATOM 0 HA ARG A 71 -1.306 -8.698 -7.920 1.00 0.84 H new ATOM 0 HB2 ARG A 71 -1.006 -6.016 -6.463 1.00 1.10 H new ATOM 0 HB3 ARG A 71 0.282 -7.182 -6.694 1.00 1.10 H new ATOM 0 HG2 ARG A 71 0.313 -6.831 -9.083 1.00 0.89 H new ATOM 0 HG3 ARG A 71 -1.209 -5.963 -9.052 1.00 0.89 H new ATOM 0 HD2 ARG A 71 -0.021 -4.223 -7.543 1.00 0.62 H new ATOM 0 HD3 ARG A 71 1.479 -5.024 -7.966 1.00 0.62 H new ATOM 0 HE ARG A 71 -0.070 -3.233 -9.622 1.00 0.81 H new ATOM 0 HH11 ARG A 71 2.266 -5.878 -9.870 1.00 2.38 H new ATOM 0 HH12 ARG A 71 2.613 -5.481 -11.556 1.00 2.38 H new ATOM 0 HH21 ARG A 71 0.335 -2.889 -11.717 1.00 0.94 H new ATOM 0 HH22 ARG A 71 1.555 -3.843 -12.567 1.00 0.94 H new ATOM 938 N GLN A 72 -1.177 -9.574 -5.565 1.00 0.69 N ATOM 939 CA GLN A 72 -1.095 -10.127 -4.215 1.00 0.72 C ATOM 940 C GLN A 72 -0.588 -9.061 -3.255 1.00 0.71 C ATOM 941 O GLN A 72 0.390 -8.371 -3.536 1.00 0.80 O ATOM 942 CB GLN A 72 -0.156 -11.342 -4.171 1.00 0.72 C ATOM 943 CG GLN A 72 -0.094 -12.073 -2.810 1.00 1.65 C ATOM 944 CD GLN A 72 1.316 -12.275 -2.250 1.00 3.12 C ATOM 945 OE1 GLN A 72 1.777 -13.394 -2.048 1.00 3.98 O ATOM 946 NE2 GLN A 72 2.030 -11.222 -1.912 1.00 4.35 N ATOM 0 H GLN A 72 -0.598 -10.070 -6.242 1.00 0.69 H new ATOM 0 HA GLN A 72 -2.093 -10.451 -3.918 1.00 0.72 H new ATOM 0 HB2 GLN A 72 -0.471 -12.053 -4.934 1.00 0.72 H new ATOM 0 HB3 GLN A 72 0.849 -11.015 -4.436 1.00 0.72 H new ATOM 0 HG2 GLN A 72 -0.680 -11.509 -2.084 1.00 1.65 H new ATOM 0 HG3 GLN A 72 -0.570 -13.048 -2.916 1.00 1.65 H new ATOM 0 HE21 GLN A 72 1.663 -10.284 -2.072 1.00 4.35 H new ATOM 0 HE22 GLN A 72 2.950 -11.344 -1.490 1.00 4.35 H new ATOM 955 N ALA A 73 -1.233 -9.015 -2.101 1.00 0.66 N ATOM 956 CA ALA A 73 -0.893 -8.148 -0.976 1.00 0.63 C ATOM 957 C ALA A 73 -0.839 -8.958 0.327 1.00 0.62 C ATOM 958 O ALA A 73 -1.812 -9.616 0.699 1.00 0.75 O ATOM 959 CB ALA A 73 -1.923 -7.010 -0.906 1.00 0.69 C ATOM 0 H ALA A 73 -2.043 -9.605 -1.911 1.00 0.66 H new ATOM 0 HA ALA A 73 0.097 -7.714 -1.117 1.00 0.63 H new ATOM 0 HB1 ALA A 73 -1.683 -6.353 -0.070 1.00 0.69 H new ATOM 0 HB2 ALA A 73 -1.899 -6.440 -1.835 1.00 0.69 H new ATOM 0 HB3 ALA A 73 -2.919 -7.429 -0.764 1.00 0.69 H new ATOM 965 N VAL A 74 0.298 -8.900 1.021 1.00 0.52 N ATOM 966 CA VAL A 74 0.526 -9.558 2.317 1.00 0.56 C ATOM 967 C VAL A 74 1.193 -8.561 3.251 1.00 0.49 C ATOM 968 O VAL A 74 2.243 -8.005 2.945 1.00 0.44 O ATOM 969 CB VAL A 74 1.402 -10.812 2.152 1.00 0.63 C ATOM 970 CG1 VAL A 74 1.885 -11.388 3.491 1.00 0.69 C ATOM 971 CG2 VAL A 74 0.642 -11.922 1.414 1.00 0.79 C ATOM 0 H VAL A 74 1.112 -8.380 0.692 1.00 0.52 H new ATOM 0 HA VAL A 74 -0.428 -9.880 2.735 1.00 0.56 H new ATOM 0 HB VAL A 74 2.268 -10.485 1.577 1.00 0.63 H new ATOM 0 HG11 VAL A 74 2.498 -12.271 3.308 1.00 0.69 H new ATOM 0 HG12 VAL A 74 2.476 -10.639 4.017 1.00 0.69 H new ATOM 0 HG13 VAL A 74 1.024 -11.664 4.100 1.00 0.69 H new ATOM 0 HG21 VAL A 74 1.285 -12.796 1.311 1.00 0.79 H new ATOM 0 HG22 VAL A 74 -0.249 -12.191 1.981 1.00 0.79 H new ATOM 0 HG23 VAL A 74 0.350 -11.568 0.425 1.00 0.79 H new ATOM 981 N LEU A 75 0.587 -8.301 4.399 1.00 0.51 N ATOM 982 CA LEU A 75 1.109 -7.373 5.384 1.00 0.49 C ATOM 983 C LEU A 75 2.232 -7.976 6.211 1.00 0.57 C ATOM 984 O LEU A 75 2.132 -9.106 6.704 1.00 0.74 O ATOM 985 CB LEU A 75 -0.027 -6.886 6.256 1.00 0.54 C ATOM 986 CG LEU A 75 0.393 -5.758 7.217 1.00 0.56 C ATOM 987 CD1 LEU A 75 1.284 -4.655 6.657 1.00 1.23 C ATOM 988 CD2 LEU A 75 -0.851 -4.988 7.463 1.00 0.90 C ATOM 0 H LEU A 75 -0.294 -8.736 4.674 1.00 0.51 H new ATOM 0 HA LEU A 75 1.550 -6.525 4.860 1.00 0.49 H new ATOM 0 HB2 LEU A 75 -0.839 -6.531 5.621 1.00 0.54 H new ATOM 0 HB3 LEU A 75 -0.418 -7.723 6.835 1.00 0.54 H new ATOM 0 HG LEU A 75 0.913 -6.262 8.032 1.00 0.56 H new ATOM 0 HD11 LEU A 75 1.501 -3.929 7.441 1.00 1.23 H new ATOM 0 HD12 LEU A 75 2.216 -5.089 6.296 1.00 1.23 H new ATOM 0 HD13 LEU A 75 0.772 -4.157 5.833 1.00 1.23 H new ATOM 0 HD21 LEU A 75 -0.639 -4.162 8.141 1.00 0.90 H new ATOM 0 HD22 LEU A 75 -1.228 -4.595 6.519 1.00 0.90 H new ATOM 0 HD23 LEU A 75 -1.601 -5.641 7.910 1.00 0.90 H new ATOM 1000 N LYS A 76 3.278 -7.175 6.398 1.00 0.47 N ATOM 1001 CA LYS A 76 4.491 -7.557 7.121 1.00 0.48 C ATOM 1002 C LYS A 76 4.541 -6.981 8.537 1.00 0.54 C ATOM 1003 O LYS A 76 4.926 -7.699 9.458 1.00 0.58 O ATOM 1004 CB LYS A 76 5.730 -7.275 6.258 1.00 0.37 C ATOM 1005 CG LYS A 76 5.676 -7.896 4.841 1.00 0.41 C ATOM 1006 CD LYS A 76 5.353 -9.400 4.765 1.00 0.71 C ATOM 1007 CE LYS A 76 6.269 -10.300 5.602 1.00 1.49 C ATOM 1008 NZ LYS A 76 7.625 -10.423 5.022 1.00 1.67 N ATOM 0 H LYS A 76 3.308 -6.219 6.043 1.00 0.47 H new ATOM 0 HA LYS A 76 4.478 -8.633 7.292 1.00 0.48 H new ATOM 0 HB2 LYS A 76 5.855 -6.196 6.164 1.00 0.37 H new ATOM 0 HB3 LYS A 76 6.612 -7.654 6.775 1.00 0.37 H new ATOM 0 HG2 LYS A 76 4.929 -7.356 4.260 1.00 0.41 H new ATOM 0 HG3 LYS A 76 6.638 -7.728 4.357 1.00 0.41 H new ATOM 0 HD2 LYS A 76 4.323 -9.552 5.089 1.00 0.71 H new ATOM 0 HD3 LYS A 76 5.410 -9.717 3.724 1.00 0.71 H new ATOM 0 HE2 LYS A 76 6.344 -9.897 6.612 1.00 1.49 H new ATOM 0 HE3 LYS A 76 5.822 -11.291 5.686 1.00 1.49 H new ATOM 0 HZ1 LYS A 76 8.205 -11.041 5.624 1.00 1.67 H new ATOM 0 HZ2 LYS A 76 7.559 -10.832 4.068 1.00 1.67 H new ATOM 0 HZ3 LYS A 76 8.065 -9.482 4.965 1.00 1.67 H new ATOM 1022 N GLY A 77 4.019 -5.772 8.744 1.00 0.56 N ATOM 1023 CA GLY A 77 3.619 -5.280 10.059 1.00 0.53 C ATOM 1024 C GLY A 77 3.380 -3.774 10.106 1.00 0.58 C ATOM 1025 O GLY A 77 3.083 -3.139 9.093 1.00 0.64 O ATOM 0 H GLY A 77 3.861 -5.100 7.993 1.00 0.56 H new ATOM 0 HA2 GLY A 77 2.708 -5.793 10.367 1.00 0.53 H new ATOM 0 HA3 GLY A 77 4.391 -5.539 10.784 1.00 0.53 H new ATOM 1029 N MET A 78 3.478 -3.227 11.312 1.00 0.68 N ATOM 1030 CA MET A 78 3.069 -1.883 11.691 1.00 0.72 C ATOM 1031 C MET A 78 4.249 -1.067 12.245 1.00 1.04 C ATOM 1032 O MET A 78 4.841 -1.429 13.267 1.00 1.55 O ATOM 1033 CB MET A 78 1.951 -1.972 12.740 1.00 0.69 C ATOM 1034 CG MET A 78 0.597 -2.392 12.161 1.00 0.68 C ATOM 1035 SD MET A 78 0.368 -4.165 11.859 1.00 1.17 S ATOM 1036 CE MET A 78 -1.269 -4.063 11.098 1.00 1.10 C ATOM 0 H MET A 78 3.870 -3.744 12.099 1.00 0.68 H new ATOM 0 HA MET A 78 2.705 -1.370 10.801 1.00 0.72 H new ATOM 0 HB2 MET A 78 2.244 -2.685 13.511 1.00 0.69 H new ATOM 0 HB3 MET A 78 1.843 -1.003 13.227 1.00 0.69 H new ATOM 0 HG2 MET A 78 -0.185 -2.057 12.842 1.00 0.68 H new ATOM 0 HG3 MET A 78 0.448 -1.863 11.220 1.00 0.68 H new ATOM 0 HE1 MET A 78 -1.562 -5.047 10.733 1.00 1.10 H new ATOM 0 HE2 MET A 78 -1.993 -3.720 11.837 1.00 1.10 H new ATOM 0 HE3 MET A 78 -1.240 -3.361 10.265 1.00 1.10 H new ATOM 1046 N GLY A 79 4.540 0.078 11.632 1.00 1.00 N ATOM 1047 CA GLY A 79 5.501 1.082 12.105 1.00 1.54 C ATOM 1048 C GLY A 79 6.772 1.215 11.264 1.00 1.48 C ATOM 1049 O GLY A 79 7.038 0.413 10.364 1.00 3.11 O ATOM 0 H GLY A 79 4.096 0.347 10.754 1.00 1.00 H new ATOM 0 HA2 GLY A 79 5.003 2.051 12.137 1.00 1.54 H new ATOM 0 HA3 GLY A 79 5.786 0.835 13.128 1.00 1.54 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 5.273 -2.277 -14.683 1.00 1.05 CU