USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 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 180:sc= 0.0368 USER MOD Set 1.2: A 78 MET CE :methyl -161:sc= 0 (180deg=-0.127) USER MOD Set 2.1: A 13 THR OG1 : rot -85:sc=0.000371 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.03) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 11:sc= 0.127 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -130:sc= -1.64! (180deg=-4.14!) USER MOD Single : A 21 THR OG1 : rot -25:sc= 0.234 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -150:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0706 K(o=-0.071,f=-2!) USER MOD Single : A 40 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.2) USER MOD Single : A 45 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.59) USER MOD Single : A 50 MET CE :methyl -116:sc= 0 (180deg=-0.151) USER MOD Single : A 55 THR OG1 : rot 34:sc= 1.29 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.867 K(o=0.87,f=-5.4!) USER MOD Single : A 63 GLN : amide:sc= 1.1 K(o=1.1,f=-0.33) USER MOD Single : A 69 THR OG1 : rot -38:sc= 1.27 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 -10.738 5.283 12.791 1.00 1.90 N ATOM 2 CA GLY A 9 -9.721 4.720 13.676 1.00 1.04 C ATOM 3 C GLY A 9 -8.639 5.730 14.049 1.00 0.94 C ATOM 4 O GLY A 9 -8.924 6.891 14.365 1.00 1.57 O ATOM 0 HA2 GLY A 9 -10.199 4.354 14.585 1.00 1.04 H new ATOM 0 HA3 GLY A 9 -9.258 3.861 13.190 1.00 1.04 H new ATOM 8 N THR A 10 -7.386 5.283 14.014 1.00 0.66 N ATOM 9 CA THR A 10 -6.194 6.077 14.314 1.00 0.52 C ATOM 10 C THR A 10 -5.014 5.728 13.426 1.00 0.43 C ATOM 11 O THR A 10 -4.842 4.578 13.018 1.00 0.47 O ATOM 12 CB THR A 10 -5.811 5.936 15.785 1.00 0.69 C ATOM 13 OG1 THR A 10 -4.730 6.767 16.123 1.00 0.86 O ATOM 14 CG2 THR A 10 -5.431 4.516 16.204 1.00 0.88 C ATOM 0 H THR A 10 -7.163 4.319 13.766 1.00 0.66 H new ATOM 0 HA THR A 10 -6.451 7.116 14.106 1.00 0.52 H new ATOM 0 HB THR A 10 -6.718 6.226 16.316 1.00 0.69 H new ATOM 0 HG1 THR A 10 -4.513 6.652 17.072 1.00 0.86 H new ATOM 0 HG21 THR A 10 -5.173 4.506 17.263 1.00 0.88 H new ATOM 0 HG22 THR A 10 -6.274 3.847 16.029 1.00 0.88 H new ATOM 0 HG23 THR A 10 -4.575 4.181 15.619 1.00 0.88 H new ATOM 22 N LEU A 11 -4.214 6.739 13.093 1.00 0.41 N ATOM 23 CA LEU A 11 -3.227 6.603 12.028 1.00 0.47 C ATOM 24 C LEU A 11 -2.096 5.657 12.441 1.00 0.55 C ATOM 25 O LEU A 11 -1.555 5.743 13.547 1.00 0.62 O ATOM 26 CB LEU A 11 -2.642 7.945 11.553 1.00 0.59 C ATOM 27 CG LEU A 11 -2.300 7.868 10.050 1.00 1.11 C ATOM 28 CD1 LEU A 11 -3.413 8.456 9.191 1.00 2.40 C ATOM 29 CD2 LEU A 11 -1.003 8.539 9.669 1.00 1.98 C ATOM 0 H LEU A 11 -4.230 7.654 13.543 1.00 0.41 H new ATOM 0 HA LEU A 11 -3.768 6.178 11.182 1.00 0.47 H new ATOM 0 HB2 LEU A 11 -3.358 8.747 11.731 1.00 0.59 H new ATOM 0 HB3 LEU A 11 -1.747 8.184 12.127 1.00 0.59 H new ATOM 0 HG LEU A 11 -2.188 6.801 9.859 1.00 1.11 H new ATOM 0 HD11 LEU A 11 -3.137 8.384 8.139 1.00 2.40 H new ATOM 0 HD12 LEU A 11 -4.336 7.902 9.362 1.00 2.40 H new ATOM 0 HD13 LEU A 11 -3.563 9.503 9.456 1.00 2.40 H new ATOM 0 HD21 LEU A 11 -0.842 8.437 8.596 1.00 1.98 H new ATOM 0 HD22 LEU A 11 -1.050 9.596 9.930 1.00 1.98 H new ATOM 0 HD23 LEU A 11 -0.179 8.069 10.206 1.00 1.98 H new ATOM 41 N CYS A 12 -1.732 4.780 11.518 1.00 0.53 N ATOM 42 CA CYS A 12 -0.710 3.751 11.647 1.00 0.62 C ATOM 43 C CYS A 12 0.018 3.579 10.304 1.00 0.46 C ATOM 44 O CYS A 12 -0.612 3.650 9.249 1.00 0.52 O ATOM 45 CB CYS A 12 -1.392 2.444 12.079 1.00 0.83 C ATOM 46 SG CYS A 12 -2.012 2.547 13.785 1.00 1.94 S ATOM 0 H CYS A 12 -2.172 4.767 10.598 1.00 0.53 H new ATOM 0 HA CYS A 12 0.030 4.033 12.396 1.00 0.62 H new ATOM 0 HB2 CYS A 12 -2.218 2.223 11.403 1.00 0.83 H new ATOM 0 HB3 CYS A 12 -0.684 1.619 11.997 1.00 0.83 H new ATOM 0 HG CYS A 12 -1.951 3.779 14.195 1.00 1.94 H new ATOM 52 N THR A 13 1.328 3.329 10.323 1.00 0.33 N ATOM 53 CA THR A 13 2.099 2.965 9.121 1.00 0.20 C ATOM 54 C THR A 13 2.084 1.454 8.947 1.00 0.31 C ATOM 55 O THR A 13 2.637 0.742 9.785 1.00 0.58 O ATOM 56 CB THR A 13 3.547 3.458 9.212 1.00 0.35 C ATOM 57 OG1 THR A 13 3.558 4.865 9.298 1.00 0.56 O ATOM 58 CG2 THR A 13 4.368 3.052 7.983 1.00 0.41 C ATOM 0 H THR A 13 1.891 3.372 11.172 1.00 0.33 H new ATOM 0 HA THR A 13 1.633 3.445 8.261 1.00 0.20 H new ATOM 0 HB THR A 13 3.991 3.003 10.097 1.00 0.35 H new ATOM 0 HG1 THR A 13 3.527 5.248 8.396 1.00 0.56 H new ATOM 0 HG21 THR A 13 5.388 3.422 8.089 1.00 0.41 H new ATOM 0 HG22 THR A 13 4.383 1.965 7.898 1.00 0.41 H new ATOM 0 HG23 THR A 13 3.918 3.480 7.087 1.00 0.41 H new ATOM 66 N LEU A 14 1.498 0.974 7.850 1.00 0.24 N ATOM 67 CA LEU A 14 1.445 -0.441 7.467 1.00 0.28 C ATOM 68 C LEU A 14 2.469 -0.741 6.360 1.00 0.27 C ATOM 69 O LEU A 14 2.448 -0.097 5.312 1.00 0.31 O ATOM 70 CB LEU A 14 0.016 -0.785 7.010 1.00 0.34 C ATOM 71 CG LEU A 14 -0.996 -1.150 8.116 1.00 0.41 C ATOM 72 CD1 LEU A 14 -0.986 -0.232 9.332 1.00 1.00 C ATOM 73 CD2 LEU A 14 -2.413 -1.126 7.544 1.00 1.52 C ATOM 0 H LEU A 14 1.029 1.581 7.177 1.00 0.24 H new ATOM 0 HA LEU A 14 1.702 -1.061 8.326 1.00 0.28 H new ATOM 0 HB2 LEU A 14 -0.378 0.067 6.456 1.00 0.34 H new ATOM 0 HB3 LEU A 14 0.074 -1.620 6.312 1.00 0.34 H new ATOM 0 HG LEU A 14 -0.690 -2.140 8.455 1.00 0.41 H new ATOM 0 HD11 LEU A 14 -1.731 -0.572 10.051 1.00 1.00 H new ATOM 0 HD12 LEU A 14 0.001 -0.252 9.795 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -1.220 0.786 9.021 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -3.126 -1.384 8.327 1.00 1.52 H new ATOM 0 HD22 LEU A 14 -2.636 -0.129 7.165 1.00 1.52 H new ATOM 0 HD23 LEU A 14 -2.490 -1.848 6.731 1.00 1.52 H new ATOM 85 N GLU A 15 3.330 -1.733 6.588 1.00 0.39 N ATOM 86 CA GLU A 15 4.307 -2.279 5.632 1.00 0.30 C ATOM 87 C GLU A 15 3.748 -3.520 4.900 1.00 0.23 C ATOM 88 O GLU A 15 3.650 -4.607 5.475 1.00 0.49 O ATOM 89 CB GLU A 15 5.611 -2.650 6.373 1.00 0.54 C ATOM 90 CG GLU A 15 6.373 -1.442 6.943 1.00 1.00 C ATOM 91 CD GLU A 15 7.667 -1.829 7.685 1.00 1.09 C ATOM 92 OE1 GLU A 15 7.889 -3.026 7.998 1.00 2.04 O ATOM 93 OE2 GLU A 15 8.480 -0.927 8.015 1.00 1.73 O ATOM 0 H GLU A 15 3.371 -2.206 7.491 1.00 0.39 H new ATOM 0 HA GLU A 15 4.514 -1.513 4.885 1.00 0.30 H new ATOM 0 HB2 GLU A 15 5.372 -3.333 7.188 1.00 0.54 H new ATOM 0 HB3 GLU A 15 6.265 -3.189 5.688 1.00 0.54 H new ATOM 0 HG2 GLU A 15 6.620 -0.760 6.129 1.00 1.00 H new ATOM 0 HG3 GLU A 15 5.720 -0.899 7.626 1.00 1.00 H new ATOM 100 N PHE A 16 3.408 -3.395 3.615 1.00 0.21 N ATOM 101 CA PHE A 16 2.914 -4.503 2.778 1.00 0.21 C ATOM 102 C PHE A 16 3.952 -4.966 1.749 1.00 0.21 C ATOM 103 O PHE A 16 4.542 -4.148 1.049 1.00 0.31 O ATOM 104 CB PHE A 16 1.630 -4.103 2.040 1.00 0.24 C ATOM 105 CG PHE A 16 0.372 -3.986 2.878 1.00 0.24 C ATOM 106 CD1 PHE A 16 0.048 -2.767 3.500 1.00 1.60 C ATOM 107 CD2 PHE A 16 -0.529 -5.068 2.956 1.00 1.40 C ATOM 108 CE1 PHE A 16 -1.173 -2.629 4.181 1.00 1.66 C ATOM 109 CE2 PHE A 16 -1.769 -4.915 3.599 1.00 1.36 C ATOM 110 CZ PHE A 16 -2.073 -3.707 4.242 1.00 0.36 C ATOM 0 H PHE A 16 3.467 -2.509 3.114 1.00 0.21 H new ATOM 0 HA PHE A 16 2.710 -5.330 3.458 1.00 0.21 H new ATOM 0 HB2 PHE A 16 1.803 -3.145 1.551 1.00 0.24 H new ATOM 0 HB3 PHE A 16 1.448 -4.835 1.253 1.00 0.24 H new ATOM 0 HD1 PHE A 16 0.738 -1.937 3.454 1.00 1.60 H new ATOM 0 HD2 PHE A 16 -0.264 -6.020 2.519 1.00 1.40 H new ATOM 0 HE1 PHE A 16 -1.421 -1.693 4.659 1.00 1.66 H new ATOM 0 HE2 PHE A 16 -2.484 -5.724 3.598 1.00 1.36 H new ATOM 0 HZ PHE A 16 -3.001 -3.604 4.785 1.00 0.36 H new ATOM 120 N ALA A 17 4.097 -6.279 1.581 1.00 0.25 N ATOM 121 CA ALA A 17 4.801 -6.912 0.470 1.00 0.27 C ATOM 122 C ALA A 17 3.817 -7.213 -0.675 1.00 0.31 C ATOM 123 O ALA A 17 2.767 -7.826 -0.464 1.00 0.50 O ATOM 124 CB ALA A 17 5.475 -8.179 0.994 1.00 0.31 C ATOM 0 H ALA A 17 3.713 -6.956 2.240 1.00 0.25 H new ATOM 0 HA ALA A 17 5.565 -6.248 0.065 1.00 0.27 H new ATOM 0 HB1 ALA A 17 6.008 -8.670 0.180 1.00 0.31 H new ATOM 0 HB2 ALA A 17 6.179 -7.917 1.783 1.00 0.31 H new ATOM 0 HB3 ALA A 17 4.719 -8.855 1.393 1.00 0.31 H new ATOM 130 N VAL A 18 4.135 -6.778 -1.893 1.00 0.25 N ATOM 131 CA VAL A 18 3.206 -6.757 -3.041 1.00 0.29 C ATOM 132 C VAL A 18 3.857 -7.308 -4.306 1.00 0.37 C ATOM 133 O VAL A 18 5.079 -7.275 -4.443 1.00 0.56 O ATOM 134 CB VAL A 18 2.675 -5.331 -3.292 1.00 0.37 C ATOM 135 CG1 VAL A 18 1.699 -4.859 -2.209 1.00 0.43 C ATOM 136 CG2 VAL A 18 3.809 -4.319 -3.365 1.00 0.43 C ATOM 0 H VAL A 18 5.063 -6.421 -2.123 1.00 0.25 H new ATOM 0 HA VAL A 18 2.367 -7.405 -2.788 1.00 0.29 H new ATOM 0 HB VAL A 18 2.150 -5.387 -4.245 1.00 0.37 H new ATOM 0 HG11 VAL A 18 1.360 -3.849 -2.440 1.00 0.43 H new ATOM 0 HG12 VAL A 18 0.841 -5.531 -2.174 1.00 0.43 H new ATOM 0 HG13 VAL A 18 2.201 -4.861 -1.241 1.00 0.43 H new ATOM 0 HG21 VAL A 18 3.399 -3.325 -3.543 1.00 0.43 H new ATOM 0 HG22 VAL A 18 4.360 -4.321 -2.424 1.00 0.43 H new ATOM 0 HG23 VAL A 18 4.482 -4.585 -4.180 1.00 0.43 H new ATOM 146 N GLN A 19 3.052 -7.800 -5.251 1.00 0.40 N ATOM 147 CA GLN A 19 3.564 -8.390 -6.490 1.00 0.51 C ATOM 148 C GLN A 19 3.686 -7.320 -7.585 1.00 0.47 C ATOM 149 O GLN A 19 2.750 -7.087 -8.352 1.00 0.50 O ATOM 150 CB GLN A 19 2.640 -9.563 -6.857 1.00 0.75 C ATOM 151 CG GLN A 19 3.021 -10.342 -8.123 1.00 1.60 C ATOM 152 CD GLN A 19 2.053 -11.506 -8.313 1.00 2.29 C ATOM 153 OE1 GLN A 19 0.959 -11.357 -8.847 1.00 3.39 O ATOM 154 NE2 GLN A 19 2.368 -12.670 -7.796 1.00 2.60 N ATOM 0 H GLN A 19 2.034 -7.801 -5.180 1.00 0.40 H new ATOM 0 HA GLN A 19 4.574 -8.780 -6.367 1.00 0.51 H new ATOM 0 HB2 GLN A 19 2.617 -10.259 -6.018 1.00 0.75 H new ATOM 0 HB3 GLN A 19 1.628 -9.179 -6.981 1.00 0.75 H new ATOM 0 HG2 GLN A 19 2.990 -9.684 -8.991 1.00 1.60 H new ATOM 0 HG3 GLN A 19 4.042 -10.714 -8.041 1.00 1.60 H new ATOM 0 HE21 GLN A 19 3.276 -12.801 -7.350 1.00 2.60 H new ATOM 0 HE22 GLN A 19 1.705 -13.444 -7.840 1.00 2.60 H new ATOM 163 N MET A 20 4.853 -6.679 -7.677 1.00 0.46 N ATOM 164 CA MET A 20 5.264 -5.803 -8.782 1.00 0.45 C ATOM 165 C MET A 20 6.795 -5.733 -8.866 1.00 0.56 C ATOM 166 O MET A 20 7.468 -5.767 -7.839 1.00 0.70 O ATOM 167 CB MET A 20 4.663 -4.396 -8.626 1.00 0.43 C ATOM 168 CG MET A 20 4.953 -3.766 -7.261 1.00 0.37 C ATOM 169 SD MET A 20 4.118 -2.188 -6.987 1.00 0.83 S ATOM 170 CE MET A 20 4.870 -1.804 -5.391 1.00 0.34 C ATOM 0 H MET A 20 5.569 -6.758 -6.955 1.00 0.46 H new ATOM 0 HA MET A 20 4.884 -6.227 -9.712 1.00 0.45 H new ATOM 0 HB2 MET A 20 5.059 -3.750 -9.409 1.00 0.43 H new ATOM 0 HB3 MET A 20 3.584 -4.450 -8.773 1.00 0.43 H new ATOM 0 HG2 MET A 20 4.654 -4.464 -6.479 1.00 0.37 H new ATOM 0 HG3 MET A 20 6.028 -3.618 -7.162 1.00 0.37 H new ATOM 0 HE1 MET A 20 4.091 -1.537 -4.677 1.00 0.34 H new ATOM 0 HE2 MET A 20 5.414 -2.675 -5.026 1.00 0.34 H new ATOM 0 HE3 MET A 20 5.559 -0.967 -5.505 1.00 0.34 H new ATOM 180 N THR A 21 7.346 -5.630 -10.076 1.00 0.67 N ATOM 181 CA THR A 21 8.794 -5.793 -10.347 1.00 0.90 C ATOM 182 C THR A 21 9.348 -4.834 -11.419 1.00 0.81 C ATOM 183 O THR A 21 10.569 -4.754 -11.604 1.00 0.89 O ATOM 184 CB THR A 21 9.075 -7.278 -10.658 1.00 1.40 C ATOM 185 OG1 THR A 21 10.443 -7.564 -10.854 1.00 2.77 O ATOM 186 CG2 THR A 21 8.328 -7.801 -11.879 1.00 1.26 C ATOM 0 H THR A 21 6.800 -5.428 -10.914 1.00 0.67 H new ATOM 0 HA THR A 21 9.341 -5.504 -9.450 1.00 0.90 H new ATOM 0 HB THR A 21 8.715 -7.783 -9.762 1.00 1.40 H new ATOM 0 HG1 THR A 21 10.906 -6.755 -11.156 1.00 2.77 H new ATOM 0 HG21 THR A 21 8.576 -8.851 -12.035 1.00 1.26 H new ATOM 0 HG22 THR A 21 7.254 -7.701 -11.719 1.00 1.26 H new ATOM 0 HG23 THR A 21 8.619 -7.225 -12.758 1.00 1.26 H new ATOM 194 N CYS A 22 8.480 -4.053 -12.078 1.00 0.75 N ATOM 195 CA CYS A 22 8.865 -2.944 -12.951 1.00 0.75 C ATOM 196 C CYS A 22 8.192 -1.602 -12.542 1.00 0.77 C ATOM 197 O CYS A 22 7.153 -1.562 -11.874 1.00 0.75 O ATOM 198 CB CYS A 22 8.716 -3.396 -14.423 1.00 0.85 C ATOM 199 SG CYS A 22 7.228 -2.886 -15.340 1.00 0.94 S ATOM 0 H CYS A 22 7.470 -4.181 -12.015 1.00 0.75 H new ATOM 0 HA CYS A 22 9.919 -2.694 -12.829 1.00 0.75 H new ATOM 0 HB2 CYS A 22 9.585 -3.032 -14.971 1.00 0.85 H new ATOM 0 HB3 CYS A 22 8.760 -4.485 -14.442 1.00 0.85 H new ATOM 204 N GLN A 23 8.839 -0.496 -12.914 1.00 0.87 N ATOM 205 CA GLN A 23 8.589 0.862 -12.423 1.00 0.96 C ATOM 206 C GLN A 23 7.175 1.388 -12.747 1.00 0.88 C ATOM 207 O GLN A 23 6.579 2.068 -11.911 1.00 1.05 O ATOM 208 CB GLN A 23 9.685 1.774 -13.009 1.00 1.12 C ATOM 209 CG GLN A 23 9.826 3.131 -12.300 1.00 1.58 C ATOM 210 CD GLN A 23 10.500 3.050 -10.929 1.00 1.36 C ATOM 211 OE1 GLN A 23 11.503 2.374 -10.718 1.00 2.33 O ATOM 212 NE2 GLN A 23 9.983 3.757 -9.948 1.00 2.31 N ATOM 0 H GLN A 23 9.591 -0.524 -13.602 1.00 0.87 H new ATOM 0 HA GLN A 23 8.630 0.855 -11.334 1.00 0.96 H new ATOM 0 HB2 GLN A 23 10.640 1.251 -12.961 1.00 1.12 H new ATOM 0 HB3 GLN A 23 9.470 1.949 -14.063 1.00 1.12 H new ATOM 0 HG2 GLN A 23 10.400 3.804 -12.937 1.00 1.58 H new ATOM 0 HG3 GLN A 23 8.836 3.572 -12.181 1.00 1.58 H new ATOM 0 HE21 GLN A 23 9.150 4.323 -10.111 1.00 2.31 H new ATOM 0 HE22 GLN A 23 10.415 3.740 -9.024 1.00 2.31 H new ATOM 221 N SER A 24 6.596 1.039 -13.905 1.00 0.74 N ATOM 222 CA SER A 24 5.234 1.466 -14.286 1.00 0.75 C ATOM 223 C SER A 24 4.132 0.966 -13.349 1.00 0.59 C ATOM 224 O SER A 24 3.147 1.683 -13.157 1.00 0.70 O ATOM 225 CB SER A 24 4.893 0.994 -15.701 1.00 0.88 C ATOM 226 OG SER A 24 5.748 1.580 -16.662 1.00 1.26 O ATOM 0 H SER A 24 7.054 0.455 -14.605 1.00 0.74 H new ATOM 0 HA SER A 24 5.259 2.554 -14.222 1.00 0.75 H new ATOM 0 HB2 SER A 24 4.975 -0.092 -15.753 1.00 0.88 H new ATOM 0 HB3 SER A 24 3.858 1.247 -15.931 1.00 0.88 H new ATOM 0 HG SER A 24 5.506 1.257 -17.555 1.00 1.26 H new ATOM 232 N CYS A 25 4.297 -0.211 -12.734 1.00 0.46 N ATOM 233 CA CYS A 25 3.379 -0.716 -11.725 1.00 0.38 C ATOM 234 C CYS A 25 3.548 0.035 -10.383 1.00 0.32 C ATOM 235 O CYS A 25 2.581 0.279 -9.671 1.00 0.33 O ATOM 236 CB CYS A 25 3.599 -2.234 -11.617 1.00 0.51 C ATOM 237 SG CYS A 25 3.403 -3.164 -13.162 1.00 0.74 S ATOM 0 H CYS A 25 5.078 -0.838 -12.929 1.00 0.46 H new ATOM 0 HA CYS A 25 2.343 -0.535 -12.011 1.00 0.38 H new ATOM 0 HB2 CYS A 25 4.603 -2.411 -11.232 1.00 0.51 H new ATOM 0 HB3 CYS A 25 2.900 -2.633 -10.882 1.00 0.51 H new ATOM 242 N VAL A 26 4.759 0.482 -10.061 1.00 0.36 N ATOM 243 CA VAL A 26 5.039 1.318 -8.882 1.00 0.36 C ATOM 244 C VAL A 26 4.433 2.708 -8.983 1.00 0.55 C ATOM 245 O VAL A 26 3.748 3.149 -8.058 1.00 0.64 O ATOM 246 CB VAL A 26 6.558 1.282 -8.637 1.00 0.88 C ATOM 247 CG1 VAL A 26 7.250 2.503 -8.045 1.00 0.66 C ATOM 248 CG2 VAL A 26 6.724 0.149 -7.645 1.00 2.27 C ATOM 0 H VAL A 26 5.590 0.274 -10.615 1.00 0.36 H new ATOM 0 HA VAL A 26 4.543 0.915 -7.999 1.00 0.36 H new ATOM 0 HB VAL A 26 7.027 1.196 -9.617 1.00 0.88 H new ATOM 0 HG11 VAL A 26 8.316 2.302 -7.941 1.00 0.66 H new ATOM 0 HG12 VAL A 26 7.104 3.359 -8.704 1.00 0.66 H new ATOM 0 HG13 VAL A 26 6.825 2.723 -7.066 1.00 0.66 H new ATOM 0 HG21 VAL A 26 7.779 0.034 -7.398 1.00 2.27 H new ATOM 0 HG22 VAL A 26 6.161 0.373 -6.739 1.00 2.27 H new ATOM 0 HG23 VAL A 26 6.351 -0.776 -8.084 1.00 2.27 H new ATOM 258 N ASP A 27 4.528 3.322 -10.156 1.00 0.72 N ATOM 259 CA ASP A 27 3.750 4.509 -10.528 1.00 0.91 C ATOM 260 C ASP A 27 2.229 4.258 -10.478 1.00 0.89 C ATOM 261 O ASP A 27 1.445 5.196 -10.304 1.00 1.22 O ATOM 262 CB ASP A 27 4.147 4.860 -11.970 1.00 1.12 C ATOM 263 CG ASP A 27 4.073 6.331 -12.388 1.00 1.61 C ATOM 264 OD1 ASP A 27 4.005 7.241 -11.525 1.00 2.05 O ATOM 265 OD2 ASP A 27 4.087 6.580 -13.620 1.00 2.77 O ATOM 0 H ASP A 27 5.159 3.007 -10.893 1.00 0.72 H new ATOM 0 HA ASP A 27 3.963 5.312 -9.823 1.00 0.91 H new ATOM 0 HB2 ASP A 27 5.169 4.516 -12.130 1.00 1.12 H new ATOM 0 HB3 ASP A 27 3.509 4.287 -12.643 1.00 1.12 H new ATOM 270 N ALA A 28 1.811 2.994 -10.625 1.00 0.69 N ATOM 271 CA ALA A 28 0.393 2.611 -10.652 1.00 0.70 C ATOM 272 C ALA A 28 -0.201 2.429 -9.252 1.00 0.68 C ATOM 273 O ALA A 28 -1.241 3.025 -8.947 1.00 0.91 O ATOM 274 CB ALA A 28 0.157 1.368 -11.519 1.00 0.59 C ATOM 0 H ALA A 28 2.449 2.205 -10.729 1.00 0.69 H new ATOM 0 HA ALA A 28 -0.136 3.446 -11.111 1.00 0.70 H new ATOM 0 HB1 ALA A 28 -0.904 1.117 -11.514 1.00 0.59 H new ATOM 0 HB2 ALA A 28 0.476 1.571 -12.541 1.00 0.59 H new ATOM 0 HB3 ALA A 28 0.730 0.531 -11.119 1.00 0.59 H new ATOM 280 N VAL A 29 0.446 1.666 -8.360 1.00 0.47 N ATOM 281 CA VAL A 29 -0.071 1.456 -7.013 1.00 0.54 C ATOM 282 C VAL A 29 -0.077 2.775 -6.237 1.00 0.64 C ATOM 283 O VAL A 29 -1.062 3.066 -5.557 1.00 0.84 O ATOM 284 CB VAL A 29 0.676 0.319 -6.285 1.00 0.59 C ATOM 285 CG1 VAL A 29 -0.111 -0.107 -5.051 1.00 0.80 C ATOM 286 CG2 VAL A 29 0.788 -0.972 -7.111 1.00 0.58 C ATOM 0 H VAL A 29 1.326 1.188 -8.552 1.00 0.47 H new ATOM 0 HA VAL A 29 -1.106 1.122 -7.081 1.00 0.54 H new ATOM 0 HB VAL A 29 1.664 0.727 -6.072 1.00 0.59 H new ATOM 0 HG11 VAL A 29 0.420 -0.910 -4.540 1.00 0.80 H new ATOM 0 HG12 VAL A 29 -0.219 0.743 -4.377 1.00 0.80 H new ATOM 0 HG13 VAL A 29 -1.098 -0.459 -5.352 1.00 0.80 H new ATOM 0 HG21 VAL A 29 1.325 -1.726 -6.536 1.00 0.58 H new ATOM 0 HG22 VAL A 29 -0.210 -1.339 -7.349 1.00 0.58 H new ATOM 0 HG23 VAL A 29 1.329 -0.767 -8.035 1.00 0.58 H new ATOM 296 N ARG A 30 0.917 3.657 -6.451 1.00 0.57 N ATOM 297 CA ARG A 30 0.963 5.022 -5.890 1.00 0.68 C ATOM 298 C ARG A 30 -0.309 5.827 -6.176 1.00 0.79 C ATOM 299 O ARG A 30 -0.778 6.565 -5.315 1.00 0.97 O ATOM 300 CB ARG A 30 2.185 5.741 -6.516 1.00 0.65 C ATOM 301 CG ARG A 30 3.484 5.418 -5.759 1.00 0.54 C ATOM 302 CD ARG A 30 4.719 5.965 -6.492 1.00 0.59 C ATOM 303 NE ARG A 30 5.965 5.878 -5.706 1.00 1.04 N ATOM 304 CZ ARG A 30 6.308 6.493 -4.589 1.00 1.86 C ATOM 305 NH1 ARG A 30 5.547 7.339 -3.968 1.00 3.04 N ATOM 306 NH2 ARG A 30 7.465 6.229 -4.058 1.00 2.46 N ATOM 0 H ARG A 30 1.727 3.437 -7.030 1.00 0.57 H new ATOM 0 HA ARG A 30 1.044 4.950 -4.805 1.00 0.68 H new ATOM 0 HB2 ARG A 30 2.288 5.442 -7.559 1.00 0.65 H new ATOM 0 HB3 ARG A 30 2.017 6.818 -6.508 1.00 0.65 H new ATOM 0 HG2 ARG A 30 3.437 5.844 -4.757 1.00 0.54 H new ATOM 0 HG3 ARG A 30 3.578 4.338 -5.642 1.00 0.54 H new ATOM 0 HD2 ARG A 30 4.849 5.416 -7.424 1.00 0.59 H new ATOM 0 HD3 ARG A 30 4.540 7.007 -6.758 1.00 0.59 H new ATOM 0 HE ARG A 30 6.670 5.245 -6.084 1.00 1.04 H new ATOM 0 HH11 ARG A 30 4.624 7.563 -4.340 1.00 3.04 H new ATOM 0 HH12 ARG A 30 5.871 7.781 -3.108 1.00 3.04 H new ATOM 0 HH21 ARG A 30 8.090 5.557 -4.504 1.00 2.46 H new ATOM 0 HH22 ARG A 30 7.748 6.694 -3.195 1.00 2.46 H new ATOM 320 N LYS A 31 -0.890 5.675 -7.365 1.00 0.72 N ATOM 321 CA LYS A 31 -2.094 6.406 -7.802 1.00 0.74 C ATOM 322 C LYS A 31 -3.426 5.732 -7.470 1.00 0.76 C ATOM 323 O LYS A 31 -4.441 6.418 -7.347 1.00 0.77 O ATOM 324 CB LYS A 31 -1.889 6.892 -9.240 1.00 0.87 C ATOM 325 CG LYS A 31 -0.725 7.895 -9.157 1.00 0.83 C ATOM 326 CD LYS A 31 -0.496 8.748 -10.394 1.00 1.05 C ATOM 327 CE LYS A 31 0.365 9.924 -9.931 1.00 1.11 C ATOM 328 NZ LYS A 31 0.699 10.821 -11.056 1.00 1.51 N ATOM 0 H LYS A 31 -0.535 5.029 -8.070 1.00 0.72 H new ATOM 0 HA LYS A 31 -2.208 7.299 -7.188 1.00 0.74 H new ATOM 0 HB2 LYS A 31 -1.650 6.063 -9.907 1.00 0.87 H new ATOM 0 HB3 LYS A 31 -2.791 7.365 -9.630 1.00 0.87 H new ATOM 0 HG2 LYS A 31 -0.901 8.558 -8.310 1.00 0.83 H new ATOM 0 HG3 LYS A 31 0.191 7.343 -8.945 1.00 0.83 H new ATOM 0 HD2 LYS A 31 0.007 8.178 -11.175 1.00 1.05 H new ATOM 0 HD3 LYS A 31 -1.441 9.095 -10.811 1.00 1.05 H new ATOM 0 HE2 LYS A 31 -0.165 10.485 -9.161 1.00 1.11 H new ATOM 0 HE3 LYS A 31 1.282 9.549 -9.477 1.00 1.11 H new ATOM 0 HZ1 LYS A 31 1.283 11.609 -10.710 1.00 1.51 H new ATOM 0 HZ2 LYS A 31 1.226 10.290 -11.779 1.00 1.51 H new ATOM 0 HZ3 LYS A 31 -0.177 11.197 -11.472 1.00 1.51 H new ATOM 342 N SER A 32 -3.409 4.429 -7.189 1.00 0.79 N ATOM 343 CA SER A 32 -4.475 3.793 -6.398 1.00 0.79 C ATOM 344 C SER A 32 -4.504 4.350 -4.964 1.00 0.80 C ATOM 345 O SER A 32 -5.574 4.660 -4.436 1.00 1.03 O ATOM 346 CB SER A 32 -4.287 2.269 -6.371 1.00 0.83 C ATOM 347 OG SER A 32 -5.536 1.631 -6.195 1.00 1.20 O ATOM 0 H SER A 32 -2.674 3.791 -7.494 1.00 0.79 H new ATOM 0 HA SER A 32 -5.429 4.021 -6.873 1.00 0.79 H new ATOM 0 HB2 SER A 32 -3.826 1.935 -7.301 1.00 0.83 H new ATOM 0 HB3 SER A 32 -3.611 1.992 -5.562 1.00 0.83 H new ATOM 0 HG SER A 32 -5.407 0.784 -5.719 1.00 1.20 H new ATOM 353 N LEU A 33 -3.325 4.523 -4.351 1.00 0.69 N ATOM 354 CA LEU A 33 -3.129 5.017 -2.979 1.00 0.73 C ATOM 355 C LEU A 33 -3.434 6.517 -2.800 1.00 0.61 C ATOM 356 O LEU A 33 -3.813 6.962 -1.714 1.00 0.70 O ATOM 357 CB LEU A 33 -1.665 4.755 -2.586 1.00 0.88 C ATOM 358 CG LEU A 33 -1.289 3.276 -2.394 1.00 0.60 C ATOM 359 CD1 LEU A 33 0.218 3.043 -2.520 1.00 0.85 C ATOM 360 CD2 LEU A 33 -1.679 2.822 -1.001 1.00 0.87 C ATOM 0 H LEU A 33 -2.442 4.314 -4.817 1.00 0.69 H new ATOM 0 HA LEU A 33 -3.835 4.485 -2.341 1.00 0.73 H new ATOM 0 HB2 LEU A 33 -1.019 5.180 -3.354 1.00 0.88 H new ATOM 0 HB3 LEU A 33 -1.454 5.289 -1.660 1.00 0.88 H new ATOM 0 HG LEU A 33 -1.816 2.720 -3.170 1.00 0.60 H new ATOM 0 HD11 LEU A 33 0.436 1.985 -2.377 1.00 0.85 H new ATOM 0 HD12 LEU A 33 0.552 3.352 -3.510 1.00 0.85 H new ATOM 0 HD13 LEU A 33 0.741 3.627 -1.762 1.00 0.85 H new ATOM 0 HD21 LEU A 33 -1.410 1.774 -0.871 1.00 0.87 H new ATOM 0 HD22 LEU A 33 -1.153 3.426 -0.261 1.00 0.87 H new ATOM 0 HD23 LEU A 33 -2.754 2.940 -0.868 1.00 0.87 H new ATOM 372 N GLN A 34 -3.261 7.308 -3.857 1.00 0.52 N ATOM 373 CA GLN A 34 -3.603 8.728 -3.893 1.00 0.55 C ATOM 374 C GLN A 34 -5.121 8.921 -3.911 1.00 0.56 C ATOM 375 O GLN A 34 -5.844 8.297 -4.691 1.00 0.65 O ATOM 376 CB GLN A 34 -2.884 9.380 -5.081 1.00 0.80 C ATOM 377 CG GLN A 34 -1.460 9.774 -4.663 1.00 0.76 C ATOM 378 CD GLN A 34 -0.537 10.021 -5.846 1.00 0.85 C ATOM 379 OE1 GLN A 34 -0.846 10.738 -6.787 1.00 1.49 O ATOM 380 NE2 GLN A 34 0.635 9.435 -5.830 1.00 1.03 N ATOM 0 H GLN A 34 -2.869 6.970 -4.736 1.00 0.52 H new ATOM 0 HA GLN A 34 -3.259 9.228 -2.988 1.00 0.55 H new ATOM 0 HB2 GLN A 34 -2.849 8.689 -5.923 1.00 0.80 H new ATOM 0 HB3 GLN A 34 -3.434 10.260 -5.414 1.00 0.80 H new ATOM 0 HG2 GLN A 34 -1.504 10.674 -4.050 1.00 0.76 H new ATOM 0 HG3 GLN A 34 -1.039 8.985 -4.040 1.00 0.76 H new ATOM 0 HE21 GLN A 34 0.895 8.836 -5.046 1.00 1.03 H new ATOM 0 HE22 GLN A 34 1.287 9.578 -6.601 1.00 1.03 H new ATOM 389 N GLY A 35 -5.590 9.780 -3.010 1.00 0.68 N ATOM 390 CA GLY A 35 -7.007 10.068 -2.768 1.00 0.87 C ATOM 391 C GLY A 35 -7.758 9.061 -1.883 1.00 0.83 C ATOM 392 O GLY A 35 -8.987 9.056 -1.903 1.00 1.15 O ATOM 0 H GLY A 35 -4.971 10.318 -2.403 1.00 0.68 H new ATOM 0 HA2 GLY A 35 -7.084 11.053 -2.308 1.00 0.87 H new ATOM 0 HA3 GLY A 35 -7.515 10.125 -3.731 1.00 0.87 H new ATOM 396 N VAL A 36 -7.082 8.192 -1.117 1.00 0.63 N ATOM 397 CA VAL A 36 -7.736 7.167 -0.296 1.00 0.84 C ATOM 398 C VAL A 36 -8.365 7.785 0.955 1.00 0.74 C ATOM 399 O VAL A 36 -7.747 8.536 1.712 1.00 0.55 O ATOM 400 CB VAL A 36 -6.784 5.995 0.020 1.00 1.00 C ATOM 401 CG1 VAL A 36 -7.291 5.061 1.128 1.00 1.29 C ATOM 402 CG2 VAL A 36 -6.585 5.140 -1.236 1.00 1.29 C ATOM 0 H VAL A 36 -6.064 8.182 -1.051 1.00 0.63 H new ATOM 0 HA VAL A 36 -8.553 6.738 -0.876 1.00 0.84 H new ATOM 0 HB VAL A 36 -5.858 6.456 0.363 1.00 1.00 H new ATOM 0 HG11 VAL A 36 -6.566 4.263 1.291 1.00 1.29 H new ATOM 0 HG12 VAL A 36 -7.421 5.627 2.050 1.00 1.29 H new ATOM 0 HG13 VAL A 36 -8.246 4.628 0.830 1.00 1.29 H new ATOM 0 HG21 VAL A 36 -5.912 4.313 -1.010 1.00 1.29 H new ATOM 0 HG22 VAL A 36 -7.547 4.746 -1.564 1.00 1.29 H new ATOM 0 HG23 VAL A 36 -6.154 5.752 -2.028 1.00 1.29 H new ATOM 412 N ALA A 37 -9.621 7.433 1.185 1.00 1.10 N ATOM 413 CA ALA A 37 -10.365 7.768 2.395 1.00 1.26 C ATOM 414 C ALA A 37 -9.741 7.063 3.616 1.00 1.10 C ATOM 415 O ALA A 37 -9.791 5.839 3.727 1.00 1.19 O ATOM 416 CB ALA A 37 -11.837 7.399 2.183 1.00 1.69 C ATOM 0 H ALA A 37 -10.169 6.891 0.517 1.00 1.10 H new ATOM 0 HA ALA A 37 -10.312 8.838 2.597 1.00 1.26 H new ATOM 0 HB1 ALA A 37 -12.406 7.644 3.080 1.00 1.69 H new ATOM 0 HB2 ALA A 37 -12.234 7.959 1.337 1.00 1.69 H new ATOM 0 HB3 ALA A 37 -11.919 6.331 1.982 1.00 1.69 H new ATOM 422 N GLY A 38 -9.128 7.844 4.511 1.00 0.96 N ATOM 423 CA GLY A 38 -8.403 7.377 5.698 1.00 0.79 C ATOM 424 C GLY A 38 -6.876 7.363 5.552 1.00 0.54 C ATOM 425 O GLY A 38 -6.189 6.927 6.475 1.00 0.44 O ATOM 0 H GLY A 38 -9.123 8.860 4.425 1.00 0.96 H new ATOM 0 HA2 GLY A 38 -8.668 8.013 6.542 1.00 0.79 H new ATOM 0 HA3 GLY A 38 -8.741 6.369 5.940 1.00 0.79 H new ATOM 429 N VAL A 39 -6.305 7.807 4.424 1.00 0.52 N ATOM 430 CA VAL A 39 -4.844 7.938 4.243 1.00 0.47 C ATOM 431 C VAL A 39 -4.359 9.331 4.662 1.00 0.65 C ATOM 432 O VAL A 39 -5.096 10.311 4.533 1.00 1.03 O ATOM 433 CB VAL A 39 -4.444 7.601 2.789 1.00 0.46 C ATOM 434 CG1 VAL A 39 -4.486 8.784 1.812 1.00 1.49 C ATOM 435 CG2 VAL A 39 -3.055 6.958 2.719 1.00 1.50 C ATOM 0 H VAL A 39 -6.843 8.088 3.604 1.00 0.52 H new ATOM 0 HA VAL A 39 -4.350 7.218 4.895 1.00 0.47 H new ATOM 0 HB VAL A 39 -5.212 6.897 2.469 1.00 0.46 H new ATOM 0 HG11 VAL A 39 -4.189 8.447 0.819 1.00 1.49 H new ATOM 0 HG12 VAL A 39 -5.498 9.186 1.771 1.00 1.49 H new ATOM 0 HG13 VAL A 39 -3.800 9.561 2.151 1.00 1.49 H new ATOM 0 HG21 VAL A 39 -2.809 6.735 1.681 1.00 1.50 H new ATOM 0 HG22 VAL A 39 -2.315 7.646 3.128 1.00 1.50 H new ATOM 0 HG23 VAL A 39 -3.052 6.035 3.298 1.00 1.50 H new ATOM 445 N GLN A 40 -3.118 9.443 5.128 1.00 0.45 N ATOM 446 CA GLN A 40 -2.367 10.698 5.155 1.00 0.43 C ATOM 447 C GLN A 40 -1.237 10.722 4.119 1.00 0.46 C ATOM 448 O GLN A 40 -1.100 11.700 3.384 1.00 0.62 O ATOM 449 CB GLN A 40 -1.810 10.915 6.562 1.00 0.45 C ATOM 450 CG GLN A 40 -2.846 11.536 7.499 1.00 0.62 C ATOM 451 CD GLN A 40 -2.269 11.956 8.852 1.00 1.86 C ATOM 452 OE1 GLN A 40 -1.070 11.920 9.111 1.00 3.16 O ATOM 453 NE2 GLN A 40 -3.107 12.359 9.779 1.00 2.08 N ATOM 0 H GLN A 40 -2.596 8.652 5.504 1.00 0.45 H new ATOM 0 HA GLN A 40 -3.047 11.508 4.893 1.00 0.43 H new ATOM 0 HB2 GLN A 40 -1.477 9.961 6.971 1.00 0.45 H new ATOM 0 HB3 GLN A 40 -0.935 11.562 6.509 1.00 0.45 H new ATOM 0 HG2 GLN A 40 -3.287 12.407 7.014 1.00 0.62 H new ATOM 0 HG3 GLN A 40 -3.652 10.820 7.663 1.00 0.62 H new ATOM 0 HE21 GLN A 40 -4.107 12.395 9.582 1.00 2.08 H new ATOM 0 HE22 GLN A 40 -2.758 12.636 10.697 1.00 2.08 H new ATOM 462 N ASP A 41 -0.431 9.659 4.057 1.00 0.38 N ATOM 463 CA ASP A 41 0.830 9.604 3.318 1.00 0.38 C ATOM 464 C ASP A 41 1.174 8.156 2.925 1.00 0.29 C ATOM 465 O ASP A 41 0.603 7.189 3.432 1.00 0.26 O ATOM 466 CB ASP A 41 1.957 10.185 4.195 1.00 0.50 C ATOM 467 CG ASP A 41 1.890 11.710 4.320 1.00 0.88 C ATOM 468 OD1 ASP A 41 2.316 12.401 3.360 1.00 1.51 O ATOM 469 OD2 ASP A 41 1.423 12.231 5.363 1.00 2.04 O ATOM 0 H ASP A 41 -0.647 8.785 4.536 1.00 0.38 H new ATOM 0 HA ASP A 41 0.727 10.191 2.405 1.00 0.38 H new ATOM 0 HB2 ASP A 41 1.902 9.741 5.189 1.00 0.50 H new ATOM 0 HB3 ASP A 41 2.921 9.902 3.773 1.00 0.50 H new ATOM 474 N VAL A 42 2.151 8.015 2.033 1.00 0.34 N ATOM 475 CA VAL A 42 2.707 6.742 1.547 1.00 0.41 C ATOM 476 C VAL A 42 4.219 6.821 1.319 1.00 0.53 C ATOM 477 O VAL A 42 4.806 7.904 1.281 1.00 0.76 O ATOM 478 CB VAL A 42 2.021 6.283 0.242 1.00 0.50 C ATOM 479 CG1 VAL A 42 0.568 5.885 0.493 1.00 0.83 C ATOM 480 CG2 VAL A 42 2.055 7.300 -0.911 1.00 0.63 C ATOM 0 H VAL A 42 2.603 8.822 1.604 1.00 0.34 H new ATOM 0 HA VAL A 42 2.512 6.010 2.331 1.00 0.41 H new ATOM 0 HB VAL A 42 2.616 5.427 -0.077 1.00 0.50 H new ATOM 0 HG11 VAL A 42 0.111 5.566 -0.444 1.00 0.83 H new ATOM 0 HG12 VAL A 42 0.534 5.065 1.211 1.00 0.83 H new ATOM 0 HG13 VAL A 42 0.021 6.739 0.892 1.00 0.83 H new ATOM 0 HG21 VAL A 42 1.547 6.882 -1.780 1.00 0.63 H new ATOM 0 HG22 VAL A 42 1.551 8.216 -0.603 1.00 0.63 H new ATOM 0 HG23 VAL A 42 3.090 7.524 -1.168 1.00 0.63 H new ATOM 490 N GLU A 43 4.861 5.673 1.125 1.00 0.42 N ATOM 491 CA GLU A 43 6.088 5.496 0.368 1.00 0.38 C ATOM 492 C GLU A 43 6.000 4.174 -0.409 1.00 0.45 C ATOM 493 O GLU A 43 5.407 3.212 0.079 1.00 0.77 O ATOM 494 CB GLU A 43 7.244 5.520 1.342 1.00 0.49 C ATOM 495 CG GLU A 43 8.568 5.253 0.656 1.00 0.74 C ATOM 496 CD GLU A 43 9.051 6.413 -0.220 1.00 2.01 C ATOM 497 OE1 GLU A 43 8.639 6.520 -1.401 1.00 3.56 O ATOM 498 OE2 GLU A 43 9.846 7.254 0.261 1.00 2.44 O ATOM 0 H GLU A 43 4.517 4.795 1.515 1.00 0.42 H new ATOM 0 HA GLU A 43 6.240 6.293 -0.359 1.00 0.38 H new ATOM 0 HB2 GLU A 43 7.281 6.490 1.837 1.00 0.49 H new ATOM 0 HB3 GLU A 43 7.080 4.772 2.118 1.00 0.49 H new ATOM 0 HG2 GLU A 43 9.323 5.042 1.413 1.00 0.74 H new ATOM 0 HG3 GLU A 43 8.475 4.358 0.040 1.00 0.74 H new ATOM 505 N VAL A 44 6.594 4.092 -1.603 1.00 0.34 N ATOM 506 CA VAL A 44 6.590 2.855 -2.404 1.00 0.38 C ATOM 507 C VAL A 44 7.997 2.442 -2.776 1.00 0.48 C ATOM 508 O VAL A 44 8.785 3.224 -3.305 1.00 0.59 O ATOM 509 CB VAL A 44 5.664 2.955 -3.623 1.00 0.57 C ATOM 510 CG1 VAL A 44 5.611 1.666 -4.441 1.00 1.40 C ATOM 511 CG2 VAL A 44 4.254 3.245 -3.115 1.00 2.11 C ATOM 0 H VAL A 44 7.087 4.870 -2.042 1.00 0.34 H new ATOM 0 HA VAL A 44 6.177 2.062 -1.780 1.00 0.38 H new ATOM 0 HB VAL A 44 6.052 3.741 -4.270 1.00 0.57 H new ATOM 0 HG11 VAL A 44 4.940 1.801 -5.289 1.00 1.40 H new ATOM 0 HG12 VAL A 44 6.610 1.424 -4.804 1.00 1.40 H new ATOM 0 HG13 VAL A 44 5.246 0.852 -3.815 1.00 1.40 H new ATOM 0 HG21 VAL A 44 3.571 3.322 -3.961 1.00 2.11 H new ATOM 0 HG22 VAL A 44 3.930 2.437 -2.459 1.00 2.11 H new ATOM 0 HG23 VAL A 44 4.253 4.184 -2.561 1.00 2.11 H new ATOM 521 N HIS A 45 8.287 1.178 -2.495 1.00 0.55 N ATOM 522 CA HIS A 45 9.611 0.587 -2.618 1.00 0.53 C ATOM 523 C HIS A 45 9.634 -0.452 -3.742 1.00 0.61 C ATOM 524 O HIS A 45 9.321 -1.626 -3.537 1.00 0.88 O ATOM 525 CB HIS A 45 9.993 -0.038 -1.279 1.00 0.75 C ATOM 526 CG HIS A 45 10.455 0.929 -0.219 1.00 0.76 C ATOM 527 ND1 HIS A 45 11.764 1.162 0.136 1.00 0.88 N ATOM 528 CD2 HIS A 45 9.677 1.693 0.610 1.00 0.79 C ATOM 529 CE1 HIS A 45 11.778 2.062 1.130 1.00 1.00 C ATOM 530 NE2 HIS A 45 10.525 2.408 1.469 1.00 0.96 N ATOM 0 H HIS A 45 7.584 0.516 -2.165 1.00 0.55 H new ATOM 0 HA HIS A 45 10.339 1.357 -2.875 1.00 0.53 H new ATOM 0 HB2 HIS A 45 9.133 -0.587 -0.895 1.00 0.75 H new ATOM 0 HB3 HIS A 45 10.785 -0.767 -1.451 1.00 0.75 H new ATOM 0 HD2 HIS A 45 8.598 1.737 0.603 1.00 0.79 H new ATOM 0 HE1 HIS A 45 12.672 2.454 1.593 1.00 1.00 H new ATOM 0 HE2 HIS A 45 10.246 3.059 2.203 1.00 0.96 H new ATOM 538 N LEU A 46 10.049 -0.022 -4.930 1.00 0.53 N ATOM 539 CA LEU A 46 10.251 -0.881 -6.099 1.00 0.70 C ATOM 540 C LEU A 46 11.323 -1.948 -5.823 1.00 0.57 C ATOM 541 O LEU A 46 11.165 -3.119 -6.173 1.00 0.74 O ATOM 542 CB LEU A 46 10.636 0.068 -7.253 1.00 0.87 C ATOM 543 CG LEU A 46 10.681 -0.472 -8.698 1.00 1.21 C ATOM 544 CD1 LEU A 46 12.068 -1.001 -9.031 1.00 2.12 C ATOM 545 CD2 LEU A 46 9.649 -1.545 -9.053 1.00 1.06 C ATOM 0 H LEU A 46 10.260 0.959 -5.114 1.00 0.53 H new ATOM 0 HA LEU A 46 9.353 -1.444 -6.354 1.00 0.70 H new ATOM 0 HB2 LEU A 46 9.935 0.902 -7.238 1.00 0.87 H new ATOM 0 HB3 LEU A 46 11.621 0.476 -7.026 1.00 0.87 H new ATOM 0 HG LEU A 46 10.422 0.398 -9.302 1.00 1.21 H new ATOM 0 HD11 LEU A 46 12.078 -1.377 -10.054 1.00 2.12 H new ATOM 0 HD12 LEU A 46 12.797 -0.197 -8.933 1.00 2.12 H new ATOM 0 HD13 LEU A 46 12.324 -1.809 -8.345 1.00 2.12 H new ATOM 0 HD21 LEU A 46 9.779 -1.845 -10.093 1.00 1.06 H new ATOM 0 HD22 LEU A 46 9.787 -2.411 -8.405 1.00 1.06 H new ATOM 0 HD23 LEU A 46 8.645 -1.144 -8.914 1.00 1.06 H new ATOM 557 N GLU A 47 12.381 -1.558 -5.110 1.00 0.39 N ATOM 558 CA GLU A 47 13.559 -2.417 -4.893 1.00 0.53 C ATOM 559 C GLU A 47 13.391 -3.429 -3.739 1.00 0.57 C ATOM 560 O GLU A 47 14.185 -4.366 -3.622 1.00 0.79 O ATOM 561 CB GLU A 47 14.840 -1.571 -4.768 1.00 0.70 C ATOM 562 CG GLU A 47 15.102 -0.752 -6.046 1.00 1.01 C ATOM 563 CD GLU A 47 16.531 -0.203 -6.102 1.00 1.93 C ATOM 564 OE1 GLU A 47 16.808 0.873 -5.516 1.00 2.03 O ATOM 565 OE2 GLU A 47 17.398 -0.822 -6.766 1.00 3.47 O ATOM 0 H GLU A 47 12.451 -0.642 -4.666 1.00 0.39 H new ATOM 0 HA GLU A 47 13.659 -3.039 -5.782 1.00 0.53 H new ATOM 0 HB2 GLU A 47 14.751 -0.898 -3.915 1.00 0.70 H new ATOM 0 HB3 GLU A 47 15.691 -2.224 -4.572 1.00 0.70 H new ATOM 0 HG2 GLU A 47 14.921 -1.378 -6.920 1.00 1.01 H new ATOM 0 HG3 GLU A 47 14.395 0.076 -6.096 1.00 1.01 H new ATOM 572 N ASP A 48 12.331 -3.299 -2.930 1.00 0.45 N ATOM 573 CA ASP A 48 11.885 -4.277 -1.935 1.00 0.43 C ATOM 574 C ASP A 48 10.537 -4.940 -2.294 1.00 0.40 C ATOM 575 O ASP A 48 10.054 -5.782 -1.532 1.00 0.45 O ATOM 576 CB ASP A 48 11.805 -3.569 -0.571 1.00 0.52 C ATOM 577 CG ASP A 48 13.014 -3.890 0.303 1.00 1.11 C ATOM 578 OD1 ASP A 48 13.139 -5.051 0.750 1.00 1.49 O ATOM 579 OD2 ASP A 48 13.859 -2.993 0.540 1.00 2.13 O ATOM 0 H ASP A 48 11.736 -2.471 -2.954 1.00 0.45 H new ATOM 0 HA ASP A 48 12.608 -5.092 -1.905 1.00 0.43 H new ATOM 0 HB2 ASP A 48 11.742 -2.492 -0.723 1.00 0.52 H new ATOM 0 HB3 ASP A 48 10.893 -3.872 -0.056 1.00 0.52 H new ATOM 584 N GLN A 49 9.915 -4.554 -3.418 1.00 0.38 N ATOM 585 CA GLN A 49 8.531 -4.893 -3.800 1.00 0.39 C ATOM 586 C GLN A 49 7.542 -4.653 -2.648 1.00 0.42 C ATOM 587 O GLN A 49 6.750 -5.524 -2.276 1.00 0.41 O ATOM 588 CB GLN A 49 8.418 -6.303 -4.397 1.00 0.41 C ATOM 589 CG GLN A 49 9.396 -6.576 -5.557 1.00 0.45 C ATOM 590 CD GLN A 49 10.827 -6.863 -5.120 1.00 1.47 C ATOM 591 OE1 GLN A 49 11.116 -7.787 -4.366 1.00 1.79 O ATOM 592 NE2 GLN A 49 11.783 -6.079 -5.566 1.00 2.66 N ATOM 0 H GLN A 49 10.379 -3.973 -4.116 1.00 0.38 H new ATOM 0 HA GLN A 49 8.246 -4.207 -4.598 1.00 0.39 H new ATOM 0 HB2 GLN A 49 8.593 -7.035 -3.608 1.00 0.41 H new ATOM 0 HB3 GLN A 49 7.399 -6.455 -4.752 1.00 0.41 H new ATOM 0 HG2 GLN A 49 9.028 -7.424 -6.134 1.00 0.45 H new ATOM 0 HG3 GLN A 49 9.399 -5.714 -6.224 1.00 0.45 H new ATOM 0 HE21 GLN A 49 11.558 -5.307 -6.193 1.00 2.66 H new ATOM 0 HE22 GLN A 49 12.750 -6.243 -5.285 1.00 2.66 H new ATOM 601 N MET A 50 7.655 -3.477 -2.033 1.00 0.60 N ATOM 602 CA MET A 50 7.004 -3.134 -0.773 1.00 0.53 C ATOM 603 C MET A 50 6.256 -1.797 -0.856 1.00 0.45 C ATOM 604 O MET A 50 6.576 -0.928 -1.669 1.00 0.55 O ATOM 605 CB MET A 50 8.052 -3.158 0.356 1.00 0.57 C ATOM 606 CG MET A 50 7.549 -2.636 1.714 1.00 0.55 C ATOM 607 SD MET A 50 8.423 -3.255 3.167 1.00 0.93 S ATOM 608 CE MET A 50 7.724 -4.929 3.179 1.00 0.66 C ATOM 0 H MET A 50 8.219 -2.715 -2.410 1.00 0.60 H new ATOM 0 HA MET A 50 6.239 -3.878 -0.552 1.00 0.53 H new ATOM 0 HB2 MET A 50 8.405 -4.181 0.484 1.00 0.57 H new ATOM 0 HB3 MET A 50 8.911 -2.561 0.048 1.00 0.57 H new ATOM 0 HG2 MET A 50 7.614 -1.548 1.710 1.00 0.55 H new ATOM 0 HG3 MET A 50 6.494 -2.892 1.812 1.00 0.55 H new ATOM 0 HE1 MET A 50 7.137 -5.072 4.086 1.00 0.66 H new ATOM 0 HE2 MET A 50 7.083 -5.062 2.308 1.00 0.66 H new ATOM 0 HE3 MET A 50 8.531 -5.661 3.150 1.00 0.66 H new ATOM 618 N VAL A 51 5.270 -1.616 0.018 1.00 0.31 N ATOM 619 CA VAL A 51 4.470 -0.399 0.152 1.00 0.28 C ATOM 620 C VAL A 51 4.381 -0.005 1.627 1.00 0.24 C ATOM 621 O VAL A 51 4.115 -0.861 2.470 1.00 0.45 O ATOM 622 CB VAL A 51 3.049 -0.611 -0.408 1.00 0.44 C ATOM 623 CG1 VAL A 51 2.512 0.724 -0.898 1.00 0.65 C ATOM 624 CG2 VAL A 51 2.959 -1.568 -1.598 1.00 0.82 C ATOM 0 H VAL A 51 4.994 -2.342 0.680 1.00 0.31 H new ATOM 0 HA VAL A 51 4.953 0.396 -0.417 1.00 0.28 H new ATOM 0 HB VAL A 51 2.481 -1.046 0.414 1.00 0.44 H new ATOM 0 HG11 VAL A 51 1.507 0.588 -1.297 1.00 0.65 H new ATOM 0 HG12 VAL A 51 2.480 1.430 -0.068 1.00 0.65 H new ATOM 0 HG13 VAL A 51 3.163 1.113 -1.681 1.00 0.65 H new ATOM 0 HG21 VAL A 51 1.921 -1.652 -1.920 1.00 0.82 H new ATOM 0 HG22 VAL A 51 3.564 -1.185 -2.420 1.00 0.82 H new ATOM 0 HG23 VAL A 51 3.328 -2.551 -1.303 1.00 0.82 H new ATOM 634 N LEU A 52 4.564 1.280 1.935 1.00 0.27 N ATOM 635 CA LEU A 52 4.209 1.890 3.217 1.00 0.25 C ATOM 636 C LEU A 52 2.955 2.730 3.031 1.00 0.22 C ATOM 637 O LEU A 52 2.873 3.541 2.106 1.00 0.25 O ATOM 638 CB LEU A 52 5.326 2.792 3.769 1.00 0.29 C ATOM 639 CG LEU A 52 6.544 2.063 4.364 1.00 0.36 C ATOM 640 CD1 LEU A 52 7.489 1.500 3.304 1.00 0.86 C ATOM 641 CD2 LEU A 52 7.355 3.037 5.219 1.00 0.93 C ATOM 0 H LEU A 52 4.976 1.945 1.280 1.00 0.27 H new ATOM 0 HA LEU A 52 4.048 1.083 3.932 1.00 0.25 H new ATOM 0 HB2 LEU A 52 5.672 3.442 2.966 1.00 0.29 H new ATOM 0 HB3 LEU A 52 4.900 3.436 4.539 1.00 0.29 H new ATOM 0 HG LEU A 52 6.144 1.233 4.947 1.00 0.36 H new ATOM 0 HD11 LEU A 52 8.326 0.999 3.791 1.00 0.86 H new ATOM 0 HD12 LEU A 52 6.952 0.785 2.680 1.00 0.86 H new ATOM 0 HD13 LEU A 52 7.865 2.313 2.683 1.00 0.86 H new ATOM 0 HD21 LEU A 52 8.217 2.520 5.640 1.00 0.93 H new ATOM 0 HD22 LEU A 52 7.696 3.867 4.600 1.00 0.93 H new ATOM 0 HD23 LEU A 52 6.731 3.419 6.027 1.00 0.93 H new ATOM 653 N VAL A 53 1.997 2.563 3.936 1.00 0.20 N ATOM 654 CA VAL A 53 0.720 3.271 3.908 1.00 0.20 C ATOM 655 C VAL A 53 0.438 3.824 5.301 1.00 0.19 C ATOM 656 O VAL A 53 0.200 3.065 6.237 1.00 0.19 O ATOM 657 CB VAL A 53 -0.402 2.346 3.397 1.00 0.20 C ATOM 658 CG1 VAL A 53 -1.694 3.146 3.192 1.00 0.21 C ATOM 659 CG2 VAL A 53 -0.055 1.669 2.061 1.00 0.23 C ATOM 0 H VAL A 53 2.086 1.921 4.724 1.00 0.20 H new ATOM 0 HA VAL A 53 0.765 4.108 3.211 1.00 0.20 H new ATOM 0 HB VAL A 53 -0.528 1.575 4.157 1.00 0.20 H new ATOM 0 HG11 VAL A 53 -2.480 2.482 2.831 1.00 0.21 H new ATOM 0 HG12 VAL A 53 -2.001 3.590 4.139 1.00 0.21 H new ATOM 0 HG13 VAL A 53 -1.521 3.935 2.460 1.00 0.21 H new ATOM 0 HG21 VAL A 53 -0.882 1.030 1.751 1.00 0.23 H new ATOM 0 HG22 VAL A 53 0.119 2.431 1.301 1.00 0.23 H new ATOM 0 HG23 VAL A 53 0.844 1.065 2.182 1.00 0.23 H new ATOM 669 N HIS A 54 0.499 5.146 5.437 1.00 0.21 N ATOM 670 CA HIS A 54 0.233 5.892 6.667 1.00 0.21 C ATOM 671 C HIS A 54 -1.282 6.181 6.745 1.00 0.25 C ATOM 672 O HIS A 54 -1.778 7.081 6.059 1.00 0.28 O ATOM 673 CB HIS A 54 1.081 7.187 6.667 1.00 0.23 C ATOM 674 CG HIS A 54 2.574 7.044 6.417 1.00 0.26 C ATOM 675 ND1 HIS A 54 3.572 7.515 7.239 1.00 0.53 N ATOM 676 CD2 HIS A 54 3.204 6.541 5.306 1.00 0.29 C ATOM 677 CE1 HIS A 54 4.759 7.283 6.661 1.00 0.65 C ATOM 678 NE2 HIS A 54 4.586 6.702 5.460 1.00 0.45 N ATOM 0 H HIS A 54 0.746 5.756 4.658 1.00 0.21 H new ATOM 0 HA HIS A 54 0.514 5.318 7.550 1.00 0.21 H new ATOM 0 HB2 HIS A 54 0.675 7.856 5.908 1.00 0.23 H new ATOM 0 HB3 HIS A 54 0.946 7.678 7.631 1.00 0.23 H new ATOM 0 HD2 HIS A 54 2.714 6.094 4.453 1.00 0.29 H new ATOM 0 HE1 HIS A 54 5.716 7.527 7.097 1.00 0.65 H new ATOM 0 HE2 HIS A 54 5.313 6.434 4.797 1.00 0.45 H new ATOM 686 N THR A 55 -2.048 5.391 7.509 1.00 0.26 N ATOM 687 CA THR A 55 -3.526 5.390 7.432 1.00 0.28 C ATOM 688 C THR A 55 -4.270 4.997 8.724 1.00 0.31 C ATOM 689 O THR A 55 -3.747 4.261 9.560 1.00 0.35 O ATOM 690 CB THR A 55 -3.961 4.455 6.285 1.00 0.27 C ATOM 691 OG1 THR A 55 -5.354 4.431 6.125 1.00 0.34 O ATOM 692 CG2 THR A 55 -3.549 2.992 6.471 1.00 0.27 C ATOM 0 H THR A 55 -1.670 4.737 8.195 1.00 0.26 H new ATOM 0 HA THR A 55 -3.808 6.428 7.255 1.00 0.28 H new ATOM 0 HB THR A 55 -3.451 4.877 5.419 1.00 0.27 H new ATOM 0 HG1 THR A 55 -5.723 5.313 6.341 1.00 0.34 H new ATOM 0 HG21 THR A 55 -3.895 2.406 5.620 1.00 0.27 H new ATOM 0 HG22 THR A 55 -2.463 2.926 6.540 1.00 0.27 H new ATOM 0 HG23 THR A 55 -3.995 2.602 7.386 1.00 0.27 H new ATOM 700 N THR A 56 -5.517 5.462 8.889 1.00 0.32 N ATOM 701 CA THR A 56 -6.424 5.108 10.008 1.00 0.32 C ATOM 702 C THR A 56 -7.238 3.823 9.787 1.00 0.38 C ATOM 703 O THR A 56 -7.971 3.395 10.682 1.00 0.46 O ATOM 704 CB THR A 56 -7.395 6.256 10.348 1.00 0.37 C ATOM 705 OG1 THR A 56 -8.312 6.406 9.290 1.00 0.48 O ATOM 706 CG2 THR A 56 -6.722 7.609 10.542 1.00 0.36 C ATOM 0 H THR A 56 -5.942 6.115 8.231 1.00 0.32 H new ATOM 0 HA THR A 56 -5.748 4.926 10.844 1.00 0.32 H new ATOM 0 HB THR A 56 -7.865 5.977 11.291 1.00 0.37 H new ATOM 0 HG1 THR A 56 -8.935 7.133 9.498 1.00 0.48 H new ATOM 0 HG21 THR A 56 -7.476 8.360 10.778 1.00 0.36 H new ATOM 0 HG22 THR A 56 -6.005 7.545 11.361 1.00 0.36 H new ATOM 0 HG23 THR A 56 -6.203 7.892 9.626 1.00 0.36 H new ATOM 714 N LEU A 57 -7.125 3.196 8.611 1.00 0.45 N ATOM 715 CA LEU A 57 -7.890 2.010 8.206 1.00 0.51 C ATOM 716 C LEU A 57 -7.408 0.710 8.888 1.00 0.57 C ATOM 717 O LEU A 57 -6.261 0.655 9.346 1.00 0.67 O ATOM 718 CB LEU A 57 -7.806 1.886 6.670 1.00 0.55 C ATOM 719 CG LEU A 57 -8.441 3.048 5.880 1.00 0.54 C ATOM 720 CD1 LEU A 57 -8.399 2.692 4.393 1.00 0.72 C ATOM 721 CD2 LEU A 57 -9.880 3.346 6.304 1.00 0.60 C ATOM 0 H LEU A 57 -6.476 3.511 7.890 1.00 0.45 H new ATOM 0 HA LEU A 57 -8.922 2.143 8.530 1.00 0.51 H new ATOM 0 HB2 LEU A 57 -6.757 1.805 6.385 1.00 0.55 H new ATOM 0 HB3 LEU A 57 -8.290 0.957 6.370 1.00 0.55 H new ATOM 0 HG LEU A 57 -7.868 3.952 6.088 1.00 0.54 H new ATOM 0 HD11 LEU A 57 -8.844 3.500 3.813 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -7.364 2.549 4.082 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -8.959 1.773 4.223 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -10.270 4.173 5.711 1.00 0.60 H new ATOM 0 HD22 LEU A 57 -10.497 2.462 6.144 1.00 0.60 H new ATOM 0 HD23 LEU A 57 -9.900 3.615 7.360 1.00 0.60 H new ATOM 733 N PRO A 58 -8.229 -0.364 8.921 1.00 0.52 N ATOM 734 CA PRO A 58 -7.788 -1.704 9.317 1.00 0.50 C ATOM 735 C PRO A 58 -6.944 -2.302 8.184 1.00 0.40 C ATOM 736 O PRO A 58 -7.286 -2.124 7.012 1.00 0.36 O ATOM 737 CB PRO A 58 -9.074 -2.529 9.533 1.00 0.54 C ATOM 738 CG PRO A 58 -10.208 -1.499 9.448 1.00 0.58 C ATOM 739 CD PRO A 58 -9.616 -0.473 8.491 1.00 0.51 C ATOM 0 HA PRO A 58 -7.180 -1.694 10.221 1.00 0.50 H new ATOM 0 HB2 PRO A 58 -9.182 -3.302 8.773 1.00 0.54 H new ATOM 0 HB3 PRO A 58 -9.066 -3.032 10.500 1.00 0.54 H new ATOM 0 HG2 PRO A 58 -11.130 -1.935 9.063 1.00 0.58 H new ATOM 0 HG3 PRO A 58 -10.442 -1.066 10.420 1.00 0.58 H new ATOM 0 HD2 PRO A 58 -9.690 -0.802 7.455 1.00 0.51 H new ATOM 0 HD3 PRO A 58 -10.133 0.484 8.559 1.00 0.51 H new ATOM 747 N SER A 59 -5.889 -3.070 8.478 1.00 0.39 N ATOM 748 CA SER A 59 -5.028 -3.644 7.423 1.00 0.35 C ATOM 749 C SER A 59 -5.789 -4.536 6.429 1.00 0.27 C ATOM 750 O SER A 59 -5.447 -4.577 5.250 1.00 0.35 O ATOM 751 CB SER A 59 -3.831 -4.419 7.990 1.00 0.44 C ATOM 752 OG SER A 59 -3.504 -4.049 9.320 1.00 0.72 O ATOM 0 H SER A 59 -5.607 -3.311 9.428 1.00 0.39 H new ATOM 0 HA SER A 59 -4.657 -2.776 6.879 1.00 0.35 H new ATOM 0 HB2 SER A 59 -4.051 -5.486 7.960 1.00 0.44 H new ATOM 0 HB3 SER A 59 -2.964 -4.254 7.350 1.00 0.44 H new ATOM 0 HG SER A 59 -2.737 -4.576 9.627 1.00 0.72 H new ATOM 758 N GLN A 60 -6.875 -5.164 6.887 1.00 0.31 N ATOM 759 CA GLN A 60 -7.858 -5.905 6.095 1.00 0.35 C ATOM 760 C GLN A 60 -8.446 -5.061 4.943 1.00 0.35 C ATOM 761 O GLN A 60 -8.634 -5.563 3.834 1.00 0.48 O ATOM 762 CB GLN A 60 -9.013 -6.353 7.018 1.00 0.45 C ATOM 763 CG GLN A 60 -8.648 -7.258 8.215 1.00 0.66 C ATOM 764 CD GLN A 60 -8.283 -6.529 9.508 1.00 1.36 C ATOM 765 OE1 GLN A 60 -7.549 -5.550 9.549 1.00 2.66 O ATOM 766 NE2 GLN A 60 -8.716 -7.016 10.642 1.00 1.74 N ATOM 0 H GLN A 60 -7.105 -5.168 7.881 1.00 0.31 H new ATOM 0 HA GLN A 60 -7.346 -6.760 5.655 1.00 0.35 H new ATOM 0 HB2 GLN A 60 -9.501 -5.459 7.406 1.00 0.45 H new ATOM 0 HB3 GLN A 60 -9.748 -6.879 6.409 1.00 0.45 H new ATOM 0 HG2 GLN A 60 -9.491 -7.919 8.417 1.00 0.66 H new ATOM 0 HG3 GLN A 60 -7.809 -7.890 7.926 1.00 0.66 H new ATOM 0 HE21 GLN A 60 -9.329 -7.831 10.646 1.00 1.74 H new ATOM 0 HE22 GLN A 60 -8.440 -6.581 11.522 1.00 1.74 H new ATOM 775 N GLU A 61 -8.701 -3.771 5.184 1.00 0.31 N ATOM 776 CA GLU A 61 -9.293 -2.830 4.226 1.00 0.36 C ATOM 777 C GLU A 61 -8.251 -2.332 3.220 1.00 0.37 C ATOM 778 O GLU A 61 -8.534 -2.254 2.023 1.00 0.50 O ATOM 779 CB GLU A 61 -9.914 -1.661 5.013 1.00 0.49 C ATOM 780 CG GLU A 61 -10.858 -0.820 4.154 1.00 0.73 C ATOM 781 CD GLU A 61 -11.582 0.314 4.894 1.00 1.38 C ATOM 782 OE1 GLU A 61 -12.010 0.103 6.053 1.00 2.20 O ATOM 783 OE2 GLU A 61 -11.806 1.385 4.270 1.00 2.40 O ATOM 0 H GLU A 61 -8.494 -3.337 6.084 1.00 0.31 H new ATOM 0 HA GLU A 61 -10.068 -3.334 3.649 1.00 0.36 H new ATOM 0 HB2 GLU A 61 -10.460 -2.053 5.871 1.00 0.49 H new ATOM 0 HB3 GLU A 61 -9.119 -1.026 5.404 1.00 0.49 H new ATOM 0 HG2 GLU A 61 -10.287 -0.389 3.331 1.00 0.73 H new ATOM 0 HG3 GLU A 61 -11.605 -1.479 3.712 1.00 0.73 H new ATOM 790 N VAL A 62 -7.028 -2.055 3.687 1.00 0.28 N ATOM 791 CA VAL A 62 -5.903 -1.631 2.858 1.00 0.26 C ATOM 792 C VAL A 62 -5.428 -2.768 1.953 1.00 0.26 C ATOM 793 O VAL A 62 -5.140 -2.524 0.789 1.00 0.28 O ATOM 794 CB VAL A 62 -4.720 -1.142 3.717 1.00 0.22 C ATOM 795 CG1 VAL A 62 -3.814 -0.241 2.879 1.00 0.27 C ATOM 796 CG2 VAL A 62 -5.100 -0.366 4.979 1.00 0.37 C ATOM 0 H VAL A 62 -6.792 -2.122 4.677 1.00 0.28 H new ATOM 0 HA VAL A 62 -6.258 -0.804 2.243 1.00 0.26 H new ATOM 0 HB VAL A 62 -4.225 -2.056 4.046 1.00 0.22 H new ATOM 0 HG11 VAL A 62 -2.979 0.103 3.489 1.00 0.27 H new ATOM 0 HG12 VAL A 62 -3.433 -0.801 2.025 1.00 0.27 H new ATOM 0 HG13 VAL A 62 -4.383 0.619 2.525 1.00 0.27 H new ATOM 0 HG21 VAL A 62 -4.195 -0.069 5.510 1.00 0.37 H new ATOM 0 HG22 VAL A 62 -5.667 0.523 4.703 1.00 0.37 H new ATOM 0 HG23 VAL A 62 -5.709 -0.998 5.626 1.00 0.37 H new ATOM 806 N GLN A 63 -5.424 -4.015 2.434 1.00 0.25 N ATOM 807 CA GLN A 63 -5.166 -5.203 1.613 1.00 0.30 C ATOM 808 C GLN A 63 -6.115 -5.238 0.413 1.00 0.37 C ATOM 809 O GLN A 63 -5.637 -5.417 -0.698 1.00 0.42 O ATOM 810 CB GLN A 63 -5.283 -6.469 2.480 1.00 0.30 C ATOM 811 CG GLN A 63 -5.102 -7.765 1.668 1.00 0.44 C ATOM 812 CD GLN A 63 -5.528 -9.030 2.409 1.00 0.70 C ATOM 813 OE1 GLN A 63 -5.699 -9.064 3.624 1.00 1.12 O ATOM 814 NE2 GLN A 63 -5.740 -10.108 1.690 1.00 1.38 N ATOM 0 H GLN A 63 -5.602 -4.231 3.415 1.00 0.25 H new ATOM 0 HA GLN A 63 -4.151 -5.161 1.218 1.00 0.30 H new ATOM 0 HB2 GLN A 63 -4.534 -6.433 3.271 1.00 0.30 H new ATOM 0 HB3 GLN A 63 -6.259 -6.483 2.966 1.00 0.30 H new ATOM 0 HG2 GLN A 63 -5.677 -7.686 0.745 1.00 0.44 H new ATOM 0 HG3 GLN A 63 -4.054 -7.859 1.383 1.00 0.44 H new ATOM 0 HE21 GLN A 63 -5.599 -10.083 0.680 1.00 1.38 H new ATOM 0 HE22 GLN A 63 -6.046 -10.970 2.141 1.00 1.38 H new ATOM 823 N ALA A 64 -7.419 -5.003 0.582 1.00 0.40 N ATOM 824 CA ALA A 64 -8.358 -5.056 -0.536 1.00 0.47 C ATOM 825 C ALA A 64 -8.226 -3.817 -1.447 1.00 0.45 C ATOM 826 O ALA A 64 -8.467 -3.915 -2.654 1.00 0.49 O ATOM 827 CB ALA A 64 -9.772 -5.204 0.035 1.00 0.54 C ATOM 0 H ALA A 64 -7.845 -4.775 1.480 1.00 0.40 H new ATOM 0 HA ALA A 64 -8.133 -5.914 -1.169 1.00 0.47 H new ATOM 0 HB1 ALA A 64 -10.492 -5.246 -0.782 1.00 0.54 H new ATOM 0 HB2 ALA A 64 -9.834 -6.121 0.620 1.00 0.54 H new ATOM 0 HB3 ALA A 64 -9.998 -4.350 0.674 1.00 0.54 H new ATOM 833 N LEU A 65 -7.783 -2.674 -0.896 1.00 0.41 N ATOM 834 CA LEU A 65 -7.437 -1.481 -1.666 1.00 0.41 C ATOM 835 C LEU A 65 -6.232 -1.730 -2.593 1.00 0.36 C ATOM 836 O LEU A 65 -6.280 -1.425 -3.787 1.00 0.44 O ATOM 837 CB LEU A 65 -7.206 -0.289 -0.724 1.00 0.41 C ATOM 838 CG LEU A 65 -8.505 0.311 -0.156 1.00 0.53 C ATOM 839 CD1 LEU A 65 -8.196 1.255 1.002 1.00 0.58 C ATOM 840 CD2 LEU A 65 -9.268 1.119 -1.209 1.00 0.67 C ATOM 0 H LEU A 65 -7.656 -2.558 0.109 1.00 0.41 H new ATOM 0 HA LEU A 65 -8.277 -1.237 -2.316 1.00 0.41 H new ATOM 0 HB2 LEU A 65 -6.572 -0.608 0.103 1.00 0.41 H new ATOM 0 HB3 LEU A 65 -6.662 0.488 -1.262 1.00 0.41 H new ATOM 0 HG LEU A 65 -9.114 -0.530 0.175 1.00 0.53 H new ATOM 0 HD11 LEU A 65 -9.126 1.670 1.391 1.00 0.58 H new ATOM 0 HD12 LEU A 65 -7.685 0.706 1.793 1.00 0.58 H new ATOM 0 HD13 LEU A 65 -7.556 2.065 0.651 1.00 0.58 H new ATOM 0 HD21 LEU A 65 -10.178 1.525 -0.767 1.00 0.67 H new ATOM 0 HD22 LEU A 65 -8.641 1.937 -1.565 1.00 0.67 H new ATOM 0 HD23 LEU A 65 -9.529 0.471 -2.046 1.00 0.67 H new ATOM 852 N LEU A 66 -5.181 -2.349 -2.046 1.00 0.30 N ATOM 853 CA LEU A 66 -3.951 -2.755 -2.734 1.00 0.31 C ATOM 854 C LEU A 66 -4.210 -3.879 -3.749 1.00 0.34 C ATOM 855 O LEU A 66 -3.773 -3.792 -4.892 1.00 0.41 O ATOM 856 CB LEU A 66 -2.930 -3.203 -1.666 1.00 0.30 C ATOM 857 CG LEU A 66 -2.384 -2.058 -0.786 1.00 0.30 C ATOM 858 CD1 LEU A 66 -1.844 -2.607 0.536 1.00 0.26 C ATOM 859 CD2 LEU A 66 -1.254 -1.313 -1.500 1.00 0.36 C ATOM 0 H LEU A 66 -5.165 -2.594 -1.056 1.00 0.30 H new ATOM 0 HA LEU A 66 -3.559 -1.911 -3.301 1.00 0.31 H new ATOM 0 HB2 LEU A 66 -3.399 -3.948 -1.023 1.00 0.30 H new ATOM 0 HB3 LEU A 66 -2.093 -3.693 -2.164 1.00 0.30 H new ATOM 0 HG LEU A 66 -3.209 -1.372 -0.593 1.00 0.30 H new ATOM 0 HD11 LEU A 66 -1.463 -1.785 1.143 1.00 0.26 H new ATOM 0 HD12 LEU A 66 -2.645 -3.114 1.074 1.00 0.26 H new ATOM 0 HD13 LEU A 66 -1.038 -3.313 0.335 1.00 0.26 H new ATOM 0 HD21 LEU A 66 -0.886 -0.511 -0.860 1.00 0.36 H new ATOM 0 HD22 LEU A 66 -0.441 -2.006 -1.717 1.00 0.36 H new ATOM 0 HD23 LEU A 66 -1.629 -0.890 -2.432 1.00 0.36 H new ATOM 871 N GLU A 67 -4.975 -4.903 -3.376 1.00 0.33 N ATOM 872 CA GLU A 67 -5.419 -6.002 -4.248 1.00 0.42 C ATOM 873 C GLU A 67 -6.190 -5.498 -5.481 1.00 0.40 C ATOM 874 O GLU A 67 -6.027 -6.033 -6.582 1.00 0.47 O ATOM 875 CB GLU A 67 -6.297 -6.941 -3.405 1.00 0.63 C ATOM 876 CG GLU A 67 -5.471 -7.918 -2.555 1.00 0.54 C ATOM 877 CD GLU A 67 -6.312 -8.898 -1.719 1.00 1.50 C ATOM 878 OE1 GLU A 67 -7.562 -8.782 -1.644 1.00 2.89 O ATOM 879 OE2 GLU A 67 -5.695 -9.811 -1.114 1.00 2.14 O ATOM 0 H GLU A 67 -5.319 -4.999 -2.421 1.00 0.33 H new ATOM 0 HA GLU A 67 -4.545 -6.528 -4.633 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -6.935 -6.346 -2.751 1.00 0.63 H new ATOM 0 HB3 GLU A 67 -6.955 -7.506 -4.065 1.00 0.63 H new ATOM 0 HG2 GLU A 67 -4.816 -8.489 -3.213 1.00 0.54 H new ATOM 0 HG3 GLU A 67 -4.829 -7.346 -1.885 1.00 0.54 H new ATOM 886 N GLY A 68 -6.949 -4.408 -5.333 1.00 0.38 N ATOM 887 CA GLY A 68 -7.635 -3.707 -6.425 1.00 0.44 C ATOM 888 C GLY A 68 -6.716 -3.049 -7.471 1.00 0.42 C ATOM 889 O GLY A 68 -7.211 -2.600 -8.509 1.00 0.55 O ATOM 0 H GLY A 68 -7.108 -3.975 -4.423 1.00 0.38 H new ATOM 0 HA2 GLY A 68 -8.288 -4.416 -6.935 1.00 0.44 H new ATOM 0 HA3 GLY A 68 -8.275 -2.937 -5.994 1.00 0.44 H new ATOM 893 N THR A 69 -5.390 -3.047 -7.261 1.00 0.36 N ATOM 894 CA THR A 69 -4.374 -2.699 -8.286 1.00 0.37 C ATOM 895 C THR A 69 -4.049 -3.870 -9.234 1.00 0.42 C ATOM 896 O THR A 69 -3.161 -3.770 -10.079 1.00 0.55 O ATOM 897 CB THR A 69 -3.105 -2.068 -7.681 1.00 0.40 C ATOM 898 OG1 THR A 69 -2.348 -2.952 -6.892 1.00 0.64 O ATOM 899 CG2 THR A 69 -3.504 -0.864 -6.844 1.00 0.66 C ATOM 0 H THR A 69 -4.979 -3.291 -6.360 1.00 0.36 H new ATOM 0 HA THR A 69 -4.836 -1.928 -8.903 1.00 0.37 H new ATOM 0 HB THR A 69 -2.468 -1.782 -8.518 1.00 0.40 H new ATOM 0 HG1 THR A 69 -2.950 -3.534 -6.383 1.00 0.64 H new ATOM 0 HG21 THR A 69 -2.612 -0.410 -6.411 1.00 0.66 H new ATOM 0 HG22 THR A 69 -4.013 -0.135 -7.475 1.00 0.66 H new ATOM 0 HG23 THR A 69 -4.174 -1.182 -6.045 1.00 0.66 H new ATOM 907 N GLY A 70 -4.775 -4.993 -9.124 1.00 0.43 N ATOM 908 CA GLY A 70 -4.722 -6.121 -10.068 1.00 0.51 C ATOM 909 C GLY A 70 -3.586 -7.113 -9.806 1.00 0.49 C ATOM 910 O GLY A 70 -3.125 -7.781 -10.730 1.00 0.64 O ATOM 0 H GLY A 70 -5.431 -5.146 -8.358 1.00 0.43 H new ATOM 0 HA2 GLY A 70 -5.671 -6.656 -10.029 1.00 0.51 H new ATOM 0 HA3 GLY A 70 -4.618 -5.728 -11.079 1.00 0.51 H new ATOM 914 N ARG A 71 -3.091 -7.160 -8.566 1.00 0.38 N ATOM 915 CA ARG A 71 -1.915 -7.921 -8.126 1.00 0.39 C ATOM 916 C ARG A 71 -2.066 -8.401 -6.676 1.00 0.37 C ATOM 917 O ARG A 71 -3.069 -8.107 -6.021 1.00 0.54 O ATOM 918 CB ARG A 71 -0.659 -7.064 -8.388 1.00 0.65 C ATOM 919 CG ARG A 71 -0.715 -5.640 -7.797 1.00 0.94 C ATOM 920 CD ARG A 71 0.380 -4.707 -8.332 1.00 0.66 C ATOM 921 NE ARG A 71 0.225 -4.398 -9.772 1.00 0.85 N ATOM 922 CZ ARG A 71 0.864 -4.929 -10.802 1.00 1.08 C ATOM 923 NH1 ARG A 71 1.756 -5.871 -10.684 1.00 2.47 N ATOM 924 NH2 ARG A 71 0.601 -4.491 -11.994 1.00 1.11 N ATOM 0 H ARG A 71 -3.522 -6.641 -7.801 1.00 0.38 H new ATOM 0 HA ARG A 71 -1.812 -8.841 -8.701 1.00 0.39 H new ATOM 0 HB2 ARG A 71 0.208 -7.580 -7.976 1.00 0.65 H new ATOM 0 HB3 ARG A 71 -0.504 -6.990 -9.464 1.00 0.65 H new ATOM 0 HG2 ARG A 71 -1.690 -5.204 -8.015 1.00 0.94 H new ATOM 0 HG3 ARG A 71 -0.629 -5.703 -6.712 1.00 0.94 H new ATOM 0 HD2 ARG A 71 0.367 -3.777 -7.763 1.00 0.66 H new ATOM 0 HD3 ARG A 71 1.354 -5.168 -8.168 1.00 0.66 H new ATOM 0 HE ARG A 71 -0.465 -3.682 -10.000 1.00 0.85 H new ATOM 0 HH11 ARG A 71 1.993 -6.236 -9.762 1.00 2.47 H new ATOM 0 HH12 ARG A 71 2.217 -6.243 -11.514 1.00 2.47 H new ATOM 0 HH21 ARG A 71 -0.088 -3.750 -12.125 1.00 1.11 H new ATOM 0 HH22 ARG A 71 1.083 -4.887 -12.801 1.00 1.11 H new ATOM 938 N GLN A 72 -1.090 -9.159 -6.183 1.00 0.36 N ATOM 939 CA GLN A 72 -1.041 -9.664 -4.808 1.00 0.38 C ATOM 940 C GLN A 72 -0.542 -8.591 -3.833 1.00 0.34 C ATOM 941 O GLN A 72 0.254 -7.717 -4.185 1.00 0.44 O ATOM 942 CB GLN A 72 -0.141 -10.907 -4.738 1.00 0.53 C ATOM 943 CG GLN A 72 -0.446 -11.903 -3.606 1.00 1.16 C ATOM 944 CD GLN A 72 -1.558 -12.877 -3.986 1.00 2.06 C ATOM 945 OE1 GLN A 72 -1.331 -13.863 -4.677 1.00 2.99 O ATOM 946 NE2 GLN A 72 -2.781 -12.647 -3.569 1.00 2.95 N ATOM 0 H GLN A 72 -0.288 -9.449 -6.742 1.00 0.36 H new ATOM 0 HA GLN A 72 -2.054 -9.936 -4.512 1.00 0.38 H new ATOM 0 HB2 GLN A 72 -0.213 -11.436 -5.688 1.00 0.53 H new ATOM 0 HB3 GLN A 72 0.892 -10.576 -4.634 1.00 0.53 H new ATOM 0 HG2 GLN A 72 0.457 -12.462 -3.361 1.00 1.16 H new ATOM 0 HG3 GLN A 72 -0.735 -11.355 -2.709 1.00 1.16 H new ATOM 0 HE21 GLN A 72 -2.978 -11.828 -2.993 1.00 2.95 H new ATOM 0 HE22 GLN A 72 -3.534 -13.287 -3.821 1.00 2.95 H new ATOM 955 N ALA A 73 -0.997 -8.724 -2.593 1.00 0.32 N ATOM 956 CA ALA A 73 -0.643 -7.885 -1.443 1.00 0.30 C ATOM 957 C ALA A 73 -0.758 -8.645 -0.108 1.00 0.38 C ATOM 958 O ALA A 73 -1.806 -9.219 0.192 1.00 0.52 O ATOM 959 CB ALA A 73 -1.558 -6.651 -1.436 1.00 0.40 C ATOM 0 H ALA A 73 -1.659 -9.459 -2.344 1.00 0.32 H new ATOM 0 HA ALA A 73 0.400 -7.585 -1.543 1.00 0.30 H new ATOM 0 HB1 ALA A 73 -1.307 -6.017 -0.586 1.00 0.40 H new ATOM 0 HB2 ALA A 73 -1.420 -6.090 -2.360 1.00 0.40 H new ATOM 0 HB3 ALA A 73 -2.597 -6.969 -1.357 1.00 0.40 H new ATOM 965 N VAL A 74 0.299 -8.614 0.706 1.00 0.38 N ATOM 966 CA VAL A 74 0.408 -9.303 2.005 1.00 0.48 C ATOM 967 C VAL A 74 1.019 -8.357 3.032 1.00 0.47 C ATOM 968 O VAL A 74 2.065 -7.759 2.788 1.00 0.48 O ATOM 969 CB VAL A 74 1.270 -10.576 1.875 1.00 0.54 C ATOM 970 CG1 VAL A 74 1.528 -11.253 3.228 1.00 0.66 C ATOM 971 CG2 VAL A 74 0.581 -11.592 0.958 1.00 0.59 C ATOM 0 H VAL A 74 1.141 -8.087 0.473 1.00 0.38 H new ATOM 0 HA VAL A 74 -0.589 -9.599 2.333 1.00 0.48 H new ATOM 0 HB VAL A 74 2.225 -10.259 1.457 1.00 0.54 H new ATOM 0 HG11 VAL A 74 2.139 -12.143 3.079 1.00 0.66 H new ATOM 0 HG12 VAL A 74 2.051 -10.560 3.888 1.00 0.66 H new ATOM 0 HG13 VAL A 74 0.578 -11.537 3.680 1.00 0.66 H new ATOM 0 HG21 VAL A 74 1.200 -12.485 0.875 1.00 0.59 H new ATOM 0 HG22 VAL A 74 -0.389 -11.860 1.376 1.00 0.59 H new ATOM 0 HG23 VAL A 74 0.442 -11.154 -0.030 1.00 0.59 H new ATOM 981 N LEU A 75 0.379 -8.198 4.187 1.00 0.49 N ATOM 982 CA LEU A 75 0.876 -7.342 5.265 1.00 0.50 C ATOM 983 C LEU A 75 1.963 -8.052 6.075 1.00 0.53 C ATOM 984 O LEU A 75 1.808 -9.187 6.541 1.00 0.71 O ATOM 985 CB LEU A 75 -0.319 -6.889 6.114 1.00 0.55 C ATOM 986 CG LEU A 75 -0.077 -5.906 7.276 1.00 0.62 C ATOM 987 CD1 LEU A 75 0.291 -6.596 8.582 1.00 2.64 C ATOM 988 CD2 LEU A 75 0.809 -4.703 6.985 1.00 1.82 C ATOM 0 H LEU A 75 -0.504 -8.661 4.405 1.00 0.49 H new ATOM 0 HA LEU A 75 1.357 -6.453 4.857 1.00 0.50 H new ATOM 0 HB2 LEU A 75 -1.046 -6.433 5.442 1.00 0.55 H new ATOM 0 HB3 LEU A 75 -0.785 -7.782 6.530 1.00 0.55 H new ATOM 0 HG LEU A 75 -1.064 -5.461 7.405 1.00 0.62 H new ATOM 0 HD11 LEU A 75 0.448 -5.847 9.358 1.00 2.64 H new ATOM 0 HD12 LEU A 75 -0.517 -7.264 8.881 1.00 2.64 H new ATOM 0 HD13 LEU A 75 1.206 -7.172 8.444 1.00 2.64 H new ATOM 0 HD21 LEU A 75 0.899 -4.092 7.883 1.00 1.82 H new ATOM 0 HD22 LEU A 75 1.797 -5.045 6.678 1.00 1.82 H new ATOM 0 HD23 LEU A 75 0.366 -4.110 6.185 1.00 1.82 H new ATOM 1000 N LYS A 76 3.058 -7.322 6.261 1.00 0.38 N ATOM 1001 CA LYS A 76 4.265 -7.746 6.998 1.00 0.38 C ATOM 1002 C LYS A 76 4.290 -7.229 8.439 1.00 0.40 C ATOM 1003 O LYS A 76 4.842 -7.892 9.317 1.00 0.45 O ATOM 1004 CB LYS A 76 5.526 -7.291 6.241 1.00 0.40 C ATOM 1005 CG LYS A 76 5.658 -7.868 4.821 1.00 0.42 C ATOM 1006 CD LYS A 76 5.862 -9.389 4.748 1.00 0.47 C ATOM 1007 CE LYS A 76 7.145 -9.847 5.458 1.00 1.35 C ATOM 1008 NZ LYS A 76 7.499 -11.227 5.060 1.00 1.43 N ATOM 0 H LYS A 76 3.142 -6.376 5.890 1.00 0.38 H new ATOM 0 HA LYS A 76 4.244 -8.834 7.057 1.00 0.38 H new ATOM 0 HB2 LYS A 76 5.525 -6.203 6.179 1.00 0.40 H new ATOM 0 HB3 LYS A 76 6.405 -7.577 6.819 1.00 0.40 H new ATOM 0 HG2 LYS A 76 4.762 -7.611 4.257 1.00 0.42 H new ATOM 0 HG3 LYS A 76 6.498 -7.381 4.325 1.00 0.42 H new ATOM 0 HD2 LYS A 76 5.004 -9.889 5.197 1.00 0.47 H new ATOM 0 HD3 LYS A 76 5.899 -9.697 3.703 1.00 0.47 H new ATOM 0 HE2 LYS A 76 7.964 -9.171 5.212 1.00 1.35 H new ATOM 0 HE3 LYS A 76 7.006 -9.799 6.538 1.00 1.35 H new ATOM 0 HZ1 LYS A 76 8.369 -11.518 5.551 1.00 1.43 H new ATOM 0 HZ2 LYS A 76 6.725 -11.872 5.317 1.00 1.43 H new ATOM 0 HZ3 LYS A 76 7.653 -11.263 4.032 1.00 1.43 H new ATOM 1022 N GLY A 77 3.647 -6.092 8.686 1.00 0.39 N ATOM 1023 CA GLY A 77 3.491 -5.476 9.994 1.00 0.36 C ATOM 1024 C GLY A 77 3.498 -3.957 9.871 1.00 0.48 C ATOM 1025 O GLY A 77 2.991 -3.404 8.894 1.00 0.44 O ATOM 0 H GLY A 77 3.201 -5.552 7.944 1.00 0.39 H new ATOM 0 HA2 GLY A 77 2.557 -5.806 10.449 1.00 0.36 H new ATOM 0 HA3 GLY A 77 4.298 -5.797 10.653 1.00 0.36 H new ATOM 1029 N MET A 78 4.045 -3.272 10.869 1.00 1.01 N ATOM 1030 CA MET A 78 3.909 -1.838 11.040 1.00 1.12 C ATOM 1031 C MET A 78 5.259 -1.118 11.187 1.00 1.23 C ATOM 1032 O MET A 78 6.309 -1.729 11.410 1.00 1.70 O ATOM 1033 CB MET A 78 2.995 -1.584 12.247 1.00 1.21 C ATOM 1034 CG MET A 78 1.520 -1.902 11.967 1.00 1.21 C ATOM 1035 SD MET A 78 1.026 -3.644 12.118 1.00 1.36 S ATOM 1036 CE MET A 78 -0.654 -3.513 11.457 1.00 1.33 C ATOM 0 H MET A 78 4.608 -3.713 11.597 1.00 1.01 H new ATOM 0 HA MET A 78 3.464 -1.419 10.138 1.00 1.12 H new ATOM 0 HB2 MET A 78 3.337 -2.189 13.087 1.00 1.21 H new ATOM 0 HB3 MET A 78 3.084 -0.540 12.548 1.00 1.21 H new ATOM 0 HG2 MET A 78 0.908 -1.313 12.650 1.00 1.21 H new ATOM 0 HG3 MET A 78 1.284 -1.566 10.957 1.00 1.21 H new ATOM 0 HE1 MET A 78 -1.236 -4.380 11.769 1.00 1.33 H new ATOM 0 HE2 MET A 78 -1.124 -2.605 11.835 1.00 1.33 H new ATOM 0 HE3 MET A 78 -0.615 -3.474 10.368 1.00 1.33 H new ATOM 1046 N GLY A 79 5.220 0.216 11.119 1.00 1.08 N ATOM 1047 CA GLY A 79 6.377 1.103 11.339 1.00 1.26 C ATOM 1048 C GLY A 79 7.035 1.031 12.715 1.00 1.76 C ATOM 1049 O GLY A 79 8.182 1.429 12.914 1.00 3.35 O ATOM 0 H GLY A 79 4.363 0.726 10.904 1.00 1.08 H new ATOM 0 HA2 GLY A 79 7.132 0.873 10.587 1.00 1.26 H new ATOM 0 HA3 GLY A 79 6.057 2.131 11.166 1.00 1.26 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 5.223 -3.075 -14.403 1.00 0.74 CU