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 -130:sc= 0.0657 USER MOD Set 1.2: A 78 MET CE :methyl 176:sc= 0 (180deg=-0.0109) USER MOD Set 2.1: A 13 THR OG1 : rot -80:sc= 0.325 USER MOD Set 2.2: A 54 HIS : no HD1:sc= 0.213 K(o=0.54,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 78:sc= 0.00741 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 20 MET CE :methyl -137:sc= -2 (180deg=-6.96!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.0533 X(o=0.053,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= 0.964 (180deg=0.962) USER MOD Single : A 32 SER OG : rot 164:sc= 1.11 USER MOD Single : A 34 GLN : amide:sc=-0.00493 K(o=-0.0049,f=-0.52) USER MOD Single : A 40 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.94) USER MOD Single : A 45 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 49 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0044) USER MOD Single : A 50 MET CE :methyl 177:sc= -0.447 (180deg=-0.522) USER MOD Single : A 55 THR OG1 : rot 52:sc= 1.33 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : A 69 THR OG1 : rot -59:sc= 1.25 USER MOD Single : A 72 GLN : amide:sc= 0.314 X(o=0.31,f=-0.16) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -10.377 4.205 12.444 1.00 1.66 N ATOM 2 CA GLY A 9 -9.434 3.922 13.532 1.00 0.82 C ATOM 3 C GLY A 9 -8.454 5.073 13.783 1.00 0.78 C ATOM 4 O GLY A 9 -8.843 6.239 13.847 1.00 1.29 O ATOM 0 HA2 GLY A 9 -9.992 3.720 14.446 1.00 0.82 H new ATOM 0 HA3 GLY A 9 -8.873 3.018 13.294 1.00 0.82 H new ATOM 8 N THR A 10 -7.161 4.762 13.899 1.00 0.78 N ATOM 9 CA THR A 10 -6.106 5.741 14.199 1.00 0.66 C ATOM 10 C THR A 10 -4.839 5.514 13.379 1.00 0.54 C ATOM 11 O THR A 10 -4.596 4.417 12.871 1.00 0.54 O ATOM 12 CB THR A 10 -5.813 5.789 15.698 1.00 0.77 C ATOM 13 OG1 THR A 10 -5.024 6.917 15.982 1.00 0.72 O ATOM 14 CG2 THR A 10 -5.094 4.552 16.236 1.00 0.86 C ATOM 0 H THR A 10 -6.809 3.811 13.786 1.00 0.78 H new ATOM 0 HA THR A 10 -6.486 6.718 13.900 1.00 0.66 H new ATOM 0 HB THR A 10 -6.784 5.833 16.191 1.00 0.77 H new ATOM 0 HG1 THR A 10 -4.836 6.951 16.943 1.00 0.72 H new ATOM 0 HG21 THR A 10 -4.924 4.667 17.307 1.00 0.86 H new ATOM 0 HG22 THR A 10 -5.707 3.669 16.059 1.00 0.86 H new ATOM 0 HG23 THR A 10 -4.137 4.437 15.727 1.00 0.86 H new ATOM 22 N LEU A 11 -4.056 6.577 13.209 1.00 0.50 N ATOM 23 CA LEU A 11 -2.998 6.661 12.205 1.00 0.43 C ATOM 24 C LEU A 11 -1.823 5.742 12.556 1.00 0.46 C ATOM 25 O LEU A 11 -1.218 5.823 13.629 1.00 0.56 O ATOM 26 CB LEU A 11 -2.540 8.119 12.039 1.00 0.50 C ATOM 27 CG LEU A 11 -2.059 8.575 10.651 1.00 0.81 C ATOM 28 CD1 LEU A 11 -0.884 7.783 10.089 1.00 2.12 C ATOM 29 CD2 LEU A 11 -3.177 8.557 9.608 1.00 1.11 C ATOM 0 H LEU A 11 -4.141 7.420 13.776 1.00 0.50 H new ATOM 0 HA LEU A 11 -3.400 6.317 11.252 1.00 0.43 H new ATOM 0 HB2 LEU A 11 -3.368 8.764 12.333 1.00 0.50 H new ATOM 0 HB3 LEU A 11 -1.731 8.297 12.747 1.00 0.50 H new ATOM 0 HG LEU A 11 -1.722 9.595 10.834 1.00 0.81 H new ATOM 0 HD11 LEU A 11 -0.616 8.176 9.108 1.00 2.12 H new ATOM 0 HD12 LEU A 11 -0.031 7.872 10.761 1.00 2.12 H new ATOM 0 HD13 LEU A 11 -1.164 6.734 9.995 1.00 2.12 H new ATOM 0 HD21 LEU A 11 -2.783 8.888 8.647 1.00 1.11 H new ATOM 0 HD22 LEU A 11 -3.568 7.544 9.511 1.00 1.11 H new ATOM 0 HD23 LEU A 11 -3.978 9.226 9.922 1.00 1.11 H new ATOM 41 N CYS A 12 -1.513 4.879 11.605 1.00 0.41 N ATOM 42 CA CYS A 12 -0.521 3.809 11.660 1.00 0.52 C ATOM 43 C CYS A 12 0.124 3.626 10.276 1.00 0.40 C ATOM 44 O CYS A 12 -0.527 3.865 9.255 1.00 0.35 O ATOM 45 CB CYS A 12 -1.221 2.506 12.085 1.00 0.72 C ATOM 46 SG CYS A 12 -1.883 2.605 13.773 1.00 1.86 S ATOM 0 H CYS A 12 -1.984 4.907 10.700 1.00 0.41 H new ATOM 0 HA CYS A 12 0.257 4.062 12.380 1.00 0.52 H new ATOM 0 HB2 CYS A 12 -2.032 2.288 11.390 1.00 0.72 H new ATOM 0 HB3 CYS A 12 -0.515 1.678 12.021 1.00 0.72 H new ATOM 0 HG CYS A 12 -2.992 3.283 13.765 1.00 1.86 H new ATOM 52 N THR A 13 1.370 3.154 10.234 1.00 0.43 N ATOM 53 CA THR A 13 2.077 2.809 8.990 1.00 0.29 C ATOM 54 C THR A 13 1.933 1.319 8.717 1.00 0.38 C ATOM 55 O THR A 13 2.483 0.498 9.445 1.00 0.66 O ATOM 56 CB THR A 13 3.568 3.164 9.060 1.00 0.29 C ATOM 57 OG1 THR A 13 3.735 4.512 9.442 1.00 0.43 O ATOM 58 CG2 THR A 13 4.243 2.968 7.698 1.00 0.38 C ATOM 0 H THR A 13 1.929 2.997 11.073 1.00 0.43 H new ATOM 0 HA THR A 13 1.628 3.390 8.185 1.00 0.29 H new ATOM 0 HB THR A 13 4.026 2.503 9.796 1.00 0.29 H new ATOM 0 HG1 THR A 13 3.594 5.092 8.665 1.00 0.43 H new ATOM 0 HG21 THR A 13 5.299 3.226 7.775 1.00 0.38 H new ATOM 0 HG22 THR A 13 4.146 1.927 7.390 1.00 0.38 H new ATOM 0 HG23 THR A 13 3.765 3.611 6.959 1.00 0.38 H new ATOM 66 N LEU A 14 1.228 0.953 7.653 1.00 0.29 N ATOM 67 CA LEU A 14 1.122 -0.434 7.199 1.00 0.35 C ATOM 68 C LEU A 14 2.210 -0.704 6.151 1.00 0.30 C ATOM 69 O LEU A 14 2.267 -0.016 5.132 1.00 0.40 O ATOM 70 CB LEU A 14 -0.307 -0.681 6.692 1.00 0.43 C ATOM 71 CG LEU A 14 -1.357 -1.010 7.779 1.00 0.60 C ATOM 72 CD1 LEU A 14 -1.218 -0.275 9.112 1.00 0.84 C ATOM 73 CD2 LEU A 14 -2.751 -0.693 7.236 1.00 1.85 C ATOM 0 H LEU A 14 0.709 1.613 7.075 1.00 0.29 H new ATOM 0 HA LEU A 14 1.294 -1.140 8.011 1.00 0.35 H new ATOM 0 HB2 LEU A 14 -0.638 0.204 6.149 1.00 0.43 H new ATOM 0 HB3 LEU A 14 -0.282 -1.503 5.977 1.00 0.43 H new ATOM 0 HG LEU A 14 -1.191 -2.065 7.997 1.00 0.60 H new ATOM 0 HD11 LEU A 14 -2.012 -0.593 9.787 1.00 0.84 H new ATOM 0 HD12 LEU A 14 -0.250 -0.507 9.556 1.00 0.84 H new ATOM 0 HD13 LEU A 14 -1.292 0.799 8.945 1.00 0.84 H new ATOM 0 HD21 LEU A 14 -3.498 -0.922 7.996 1.00 1.85 H new ATOM 0 HD22 LEU A 14 -2.809 0.364 6.977 1.00 1.85 H new ATOM 0 HD23 LEU A 14 -2.941 -1.295 6.347 1.00 1.85 H new ATOM 85 N GLU A 15 3.067 -1.691 6.421 1.00 0.29 N ATOM 86 CA GLU A 15 4.198 -2.090 5.569 1.00 0.28 C ATOM 87 C GLU A 15 3.881 -3.395 4.812 1.00 0.24 C ATOM 88 O GLU A 15 4.108 -4.498 5.317 1.00 0.31 O ATOM 89 CB GLU A 15 5.485 -2.222 6.412 1.00 0.38 C ATOM 90 CG GLU A 15 6.014 -0.873 6.934 1.00 1.01 C ATOM 91 CD GLU A 15 7.414 -0.967 7.573 1.00 1.10 C ATOM 92 OE1 GLU A 15 8.185 -1.913 7.261 1.00 1.65 O ATOM 93 OE2 GLU A 15 7.778 -0.064 8.369 1.00 2.03 O ATOM 0 H GLU A 15 2.993 -2.256 7.267 1.00 0.29 H new ATOM 0 HA GLU A 15 4.364 -1.313 4.823 1.00 0.28 H new ATOM 0 HB2 GLU A 15 5.290 -2.880 7.259 1.00 0.38 H new ATOM 0 HB3 GLU A 15 6.258 -2.699 5.809 1.00 0.38 H new ATOM 0 HG2 GLU A 15 6.047 -0.161 6.109 1.00 1.01 H new ATOM 0 HG3 GLU A 15 5.314 -0.477 7.669 1.00 1.01 H new ATOM 100 N PHE A 16 3.342 -3.288 3.594 1.00 0.22 N ATOM 101 CA PHE A 16 2.915 -4.440 2.789 1.00 0.20 C ATOM 102 C PHE A 16 3.935 -4.827 1.715 1.00 0.23 C ATOM 103 O PHE A 16 4.379 -4.001 0.922 1.00 0.44 O ATOM 104 CB PHE A 16 1.597 -4.149 2.062 1.00 0.23 C ATOM 105 CG PHE A 16 0.323 -4.159 2.868 1.00 0.24 C ATOM 106 CD1 PHE A 16 -0.166 -2.967 3.427 1.00 1.46 C ATOM 107 CD2 PHE A 16 -0.438 -5.341 2.942 1.00 1.55 C ATOM 108 CE1 PHE A 16 -1.449 -2.941 4.001 1.00 1.44 C ATOM 109 CE2 PHE A 16 -1.726 -5.313 3.511 1.00 1.60 C ATOM 110 CZ PHE A 16 -2.235 -4.106 4.021 1.00 0.40 C ATOM 0 H PHE A 16 3.188 -2.391 3.133 1.00 0.22 H new ATOM 0 HA PHE A 16 2.805 -5.258 3.501 1.00 0.20 H new ATOM 0 HB2 PHE A 16 1.685 -3.170 1.591 1.00 0.23 H new ATOM 0 HB3 PHE A 16 1.490 -4.880 1.261 1.00 0.23 H new ATOM 0 HD1 PHE A 16 0.441 -2.074 3.416 1.00 1.46 H new ATOM 0 HD2 PHE A 16 -0.035 -6.268 2.563 1.00 1.55 H new ATOM 0 HE1 PHE A 16 -1.831 -2.025 4.427 1.00 1.44 H new ATOM 0 HE2 PHE A 16 -2.320 -6.214 3.555 1.00 1.60 H new ATOM 0 HZ PHE A 16 -3.234 -4.074 4.430 1.00 0.40 H new ATOM 120 N ALA A 17 4.193 -6.124 1.616 1.00 0.30 N ATOM 121 CA ALA A 17 4.930 -6.738 0.508 1.00 0.34 C ATOM 122 C ALA A 17 3.990 -7.078 -0.673 1.00 0.36 C ATOM 123 O ALA A 17 2.897 -7.607 -0.464 1.00 0.45 O ATOM 124 CB ALA A 17 5.643 -7.988 1.036 1.00 0.43 C ATOM 0 H ALA A 17 3.890 -6.799 2.318 1.00 0.30 H new ATOM 0 HA ALA A 17 5.667 -6.034 0.123 1.00 0.34 H new ATOM 0 HB1 ALA A 17 6.198 -8.460 0.225 1.00 0.43 H new ATOM 0 HB2 ALA A 17 6.333 -7.705 1.831 1.00 0.43 H new ATOM 0 HB3 ALA A 17 4.906 -8.689 1.428 1.00 0.43 H new ATOM 130 N VAL A 18 4.382 -6.806 -1.922 1.00 0.36 N ATOM 131 CA VAL A 18 3.489 -6.876 -3.110 1.00 0.36 C ATOM 132 C VAL A 18 4.154 -7.488 -4.349 1.00 0.42 C ATOM 133 O VAL A 18 5.375 -7.439 -4.504 1.00 0.62 O ATOM 134 CB VAL A 18 2.922 -5.482 -3.459 1.00 0.43 C ATOM 135 CG1 VAL A 18 1.872 -4.984 -2.454 1.00 0.43 C ATOM 136 CG2 VAL A 18 4.017 -4.439 -3.522 1.00 0.51 C ATOM 0 H VAL A 18 5.336 -6.527 -2.151 1.00 0.36 H new ATOM 0 HA VAL A 18 2.678 -7.545 -2.824 1.00 0.36 H new ATOM 0 HB VAL A 18 2.449 -5.611 -4.433 1.00 0.43 H new ATOM 0 HG11 VAL A 18 1.515 -4.000 -2.758 1.00 0.43 H new ATOM 0 HG12 VAL A 18 1.035 -5.681 -2.427 1.00 0.43 H new ATOM 0 HG13 VAL A 18 2.320 -4.917 -1.463 1.00 0.43 H new ATOM 0 HG21 VAL A 18 3.583 -3.470 -3.770 1.00 0.51 H new ATOM 0 HG22 VAL A 18 4.516 -4.376 -2.555 1.00 0.51 H new ATOM 0 HG23 VAL A 18 4.742 -4.718 -4.287 1.00 0.51 H new ATOM 146 N GLN A 19 3.369 -8.045 -5.276 1.00 0.40 N ATOM 147 CA GLN A 19 3.895 -8.540 -6.562 1.00 0.42 C ATOM 148 C GLN A 19 3.951 -7.424 -7.625 1.00 0.39 C ATOM 149 O GLN A 19 2.963 -7.144 -8.309 1.00 0.43 O ATOM 150 CB GLN A 19 3.086 -9.765 -7.029 1.00 0.56 C ATOM 151 CG GLN A 19 3.354 -10.994 -6.139 1.00 1.54 C ATOM 152 CD GLN A 19 2.617 -12.259 -6.579 1.00 2.17 C ATOM 153 OE1 GLN A 19 1.851 -12.301 -7.535 1.00 2.83 O ATOM 154 NE2 GLN A 19 2.813 -13.350 -5.875 1.00 2.99 N ATOM 0 H GLN A 19 2.363 -8.167 -5.164 1.00 0.40 H new ATOM 0 HA GLN A 19 4.926 -8.862 -6.415 1.00 0.42 H new ATOM 0 HB2 GLN A 19 2.022 -9.527 -7.012 1.00 0.56 H new ATOM 0 HB3 GLN A 19 3.344 -10.000 -8.062 1.00 0.56 H new ATOM 0 HG2 GLN A 19 4.425 -11.196 -6.130 1.00 1.54 H new ATOM 0 HG3 GLN A 19 3.066 -10.757 -5.115 1.00 1.54 H new ATOM 0 HE21 GLN A 19 3.447 -13.334 -5.076 1.00 2.99 H new ATOM 0 HE22 GLN A 19 2.331 -14.213 -6.127 1.00 2.99 H new ATOM 163 N MET A 20 5.109 -6.770 -7.775 1.00 0.41 N ATOM 164 CA MET A 20 5.435 -5.910 -8.927 1.00 0.45 C ATOM 165 C MET A 20 6.944 -5.848 -9.218 1.00 0.56 C ATOM 166 O MET A 20 7.743 -5.768 -8.285 1.00 0.59 O ATOM 167 CB MET A 20 4.892 -4.493 -8.714 1.00 0.41 C ATOM 168 CG MET A 20 5.235 -3.870 -7.360 1.00 0.39 C ATOM 169 SD MET A 20 4.662 -2.159 -7.224 1.00 0.53 S ATOM 170 CE MET A 20 5.176 -1.848 -5.524 1.00 0.44 C ATOM 0 H MET A 20 5.862 -6.822 -7.089 1.00 0.41 H new ATOM 0 HA MET A 20 4.954 -6.363 -9.794 1.00 0.45 H new ATOM 0 HB2 MET A 20 5.280 -3.848 -9.503 1.00 0.41 H new ATOM 0 HB3 MET A 20 3.808 -4.515 -8.824 1.00 0.41 H new ATOM 0 HG2 MET A 20 4.786 -4.465 -6.565 1.00 0.39 H new ATOM 0 HG3 MET A 20 6.314 -3.902 -7.211 1.00 0.39 H new ATOM 0 HE1 MET A 20 4.386 -1.313 -4.997 1.00 0.44 H new ATOM 0 HE2 MET A 20 5.368 -2.797 -5.023 1.00 0.44 H new ATOM 0 HE3 MET A 20 6.085 -1.246 -5.523 1.00 0.44 H new ATOM 180 N THR A 21 7.337 -5.862 -10.497 1.00 0.81 N ATOM 181 CA THR A 21 8.748 -5.988 -10.936 1.00 1.00 C ATOM 182 C THR A 21 9.216 -4.966 -11.987 1.00 0.94 C ATOM 183 O THR A 21 10.413 -4.958 -12.298 1.00 1.15 O ATOM 184 CB THR A 21 9.061 -7.414 -11.442 1.00 1.40 C ATOM 185 OG1 THR A 21 8.219 -7.771 -12.517 1.00 2.96 O ATOM 186 CG2 THR A 21 8.881 -8.480 -10.363 1.00 1.69 C ATOM 0 H THR A 21 6.681 -5.785 -11.274 1.00 0.81 H new ATOM 0 HA THR A 21 9.312 -5.768 -10.030 1.00 1.00 H new ATOM 0 HB THR A 21 10.105 -7.382 -11.752 1.00 1.40 H new ATOM 0 HG1 THR A 21 8.440 -8.677 -12.819 1.00 2.96 H new ATOM 0 HG21 THR A 21 9.115 -9.461 -10.778 1.00 1.69 H new ATOM 0 HG22 THR A 21 9.550 -8.270 -9.529 1.00 1.69 H new ATOM 0 HG23 THR A 21 7.849 -8.472 -10.012 1.00 1.69 H new ATOM 194 N CYS A 22 8.334 -4.099 -12.513 1.00 0.79 N ATOM 195 CA CYS A 22 8.679 -3.023 -13.446 1.00 0.84 C ATOM 196 C CYS A 22 7.980 -1.674 -13.092 1.00 0.79 C ATOM 197 O CYS A 22 6.994 -1.636 -12.348 1.00 0.75 O ATOM 198 CB CYS A 22 8.483 -3.559 -14.886 1.00 1.01 C ATOM 199 SG CYS A 22 6.813 -3.481 -15.611 1.00 1.30 S ATOM 0 H CYS A 22 7.338 -4.131 -12.293 1.00 0.79 H new ATOM 0 HA CYS A 22 9.729 -2.744 -13.360 1.00 0.84 H new ATOM 0 HB2 CYS A 22 9.157 -3.008 -15.542 1.00 1.01 H new ATOM 0 HB3 CYS A 22 8.805 -4.600 -14.901 1.00 1.01 H new ATOM 204 N GLN A 23 8.531 -0.560 -13.593 1.00 0.83 N ATOM 205 CA GLN A 23 8.282 0.821 -13.133 1.00 0.82 C ATOM 206 C GLN A 23 6.813 1.290 -13.244 1.00 0.79 C ATOM 207 O GLN A 23 6.404 2.160 -12.473 1.00 0.81 O ATOM 208 CB GLN A 23 9.233 1.744 -13.928 1.00 0.97 C ATOM 209 CG GLN A 23 9.255 3.236 -13.547 1.00 1.88 C ATOM 210 CD GLN A 23 9.841 3.513 -12.164 1.00 1.69 C ATOM 211 OE1 GLN A 23 11.007 3.872 -12.012 1.00 2.08 O ATOM 212 NE2 GLN A 23 9.060 3.357 -11.118 1.00 2.59 N ATOM 0 H GLN A 23 9.195 -0.594 -14.367 1.00 0.83 H new ATOM 0 HA GLN A 23 8.480 0.862 -12.062 1.00 0.82 H new ATOM 0 HB2 GLN A 23 10.246 1.355 -13.823 1.00 0.97 H new ATOM 0 HB3 GLN A 23 8.970 1.670 -14.983 1.00 0.97 H new ATOM 0 HG2 GLN A 23 9.833 3.783 -14.292 1.00 1.88 H new ATOM 0 HG3 GLN A 23 8.238 3.626 -13.584 1.00 1.88 H new ATOM 0 HE21 GLN A 23 8.093 3.059 -11.244 1.00 2.59 H new ATOM 0 HE22 GLN A 23 9.421 3.534 -10.181 1.00 2.59 H new ATOM 221 N SER A 24 6.007 0.714 -14.141 1.00 0.78 N ATOM 222 CA SER A 24 4.596 1.097 -14.349 1.00 0.76 C ATOM 223 C SER A 24 3.631 0.558 -13.290 1.00 0.70 C ATOM 224 O SER A 24 2.590 1.177 -13.061 1.00 0.73 O ATOM 225 CB SER A 24 4.111 0.627 -15.727 1.00 0.86 C ATOM 226 OG SER A 24 5.095 0.804 -16.728 1.00 1.19 O ATOM 0 H SER A 24 6.314 -0.041 -14.754 1.00 0.78 H new ATOM 0 HA SER A 24 4.585 2.184 -14.272 1.00 0.76 H new ATOM 0 HB2 SER A 24 3.835 -0.426 -15.673 1.00 0.86 H new ATOM 0 HB3 SER A 24 3.212 1.179 -16.002 1.00 0.86 H new ATOM 0 HG SER A 24 4.746 0.491 -17.589 1.00 1.19 H new ATOM 232 N CYS A 25 3.964 -0.552 -12.623 1.00 0.67 N ATOM 233 CA CYS A 25 3.161 -1.091 -11.537 1.00 0.58 C ATOM 234 C CYS A 25 3.227 -0.164 -10.300 1.00 0.45 C ATOM 235 O CYS A 25 2.219 0.112 -9.667 1.00 0.42 O ATOM 236 CB CYS A 25 3.701 -2.494 -11.240 1.00 0.64 C ATOM 237 SG CYS A 25 3.589 -3.764 -12.531 1.00 1.05 S ATOM 0 H CYS A 25 4.801 -1.098 -12.827 1.00 0.67 H new ATOM 0 HA CYS A 25 2.108 -1.151 -11.811 1.00 0.58 H new ATOM 0 HB2 CYS A 25 4.751 -2.393 -10.967 1.00 0.64 H new ATOM 0 HB3 CYS A 25 3.178 -2.870 -10.361 1.00 0.64 H new ATOM 242 N VAL A 26 4.420 0.348 -10.004 1.00 0.45 N ATOM 243 CA VAL A 26 4.785 1.267 -8.912 1.00 0.41 C ATOM 244 C VAL A 26 3.846 2.468 -8.852 1.00 0.41 C ATOM 245 O VAL A 26 3.178 2.683 -7.841 1.00 0.41 O ATOM 246 CB VAL A 26 6.242 1.739 -9.126 1.00 0.52 C ATOM 247 CG1 VAL A 26 6.943 2.150 -7.842 1.00 0.50 C ATOM 248 CG2 VAL A 26 7.116 0.624 -9.671 1.00 0.76 C ATOM 0 H VAL A 26 5.235 0.112 -10.571 1.00 0.45 H new ATOM 0 HA VAL A 26 4.696 0.738 -7.963 1.00 0.41 H new ATOM 0 HB VAL A 26 6.138 2.581 -9.810 1.00 0.52 H new ATOM 0 HG11 VAL A 26 7.960 2.469 -8.069 1.00 0.50 H new ATOM 0 HG12 VAL A 26 6.399 2.973 -7.378 1.00 0.50 H new ATOM 0 HG13 VAL A 26 6.973 1.303 -7.157 1.00 0.50 H new ATOM 0 HG21 VAL A 26 8.132 0.993 -9.809 1.00 0.76 H new ATOM 0 HG22 VAL A 26 7.124 -0.209 -8.968 1.00 0.76 H new ATOM 0 HG23 VAL A 26 6.720 0.286 -10.629 1.00 0.76 H new ATOM 258 N ASP A 27 3.707 3.183 -9.971 1.00 0.44 N ATOM 259 CA ASP A 27 2.750 4.282 -10.130 1.00 0.51 C ATOM 260 C ASP A 27 1.306 3.826 -9.922 1.00 0.52 C ATOM 261 O ASP A 27 0.496 4.526 -9.316 1.00 0.60 O ATOM 262 CB ASP A 27 2.870 4.826 -11.553 1.00 0.69 C ATOM 263 CG ASP A 27 2.205 6.194 -11.704 1.00 1.40 C ATOM 264 OD1 ASP A 27 2.511 7.113 -10.908 1.00 2.00 O ATOM 265 OD2 ASP A 27 1.414 6.373 -12.660 1.00 2.67 O ATOM 0 H ASP A 27 4.266 3.012 -10.807 1.00 0.44 H new ATOM 0 HA ASP A 27 2.983 5.038 -9.380 1.00 0.51 H new ATOM 0 HB2 ASP A 27 3.923 4.904 -11.823 1.00 0.69 H new ATOM 0 HB3 ASP A 27 2.413 4.123 -12.249 1.00 0.69 H new ATOM 270 N ALA A 28 1.000 2.622 -10.402 1.00 0.48 N ATOM 271 CA ALA A 28 -0.359 2.093 -10.328 1.00 0.53 C ATOM 272 C ALA A 28 -0.757 1.753 -8.884 1.00 0.51 C ATOM 273 O ALA A 28 -1.892 2.024 -8.480 1.00 0.64 O ATOM 274 CB ALA A 28 -0.495 0.909 -11.284 1.00 0.53 C ATOM 0 H ALA A 28 1.673 1.997 -10.845 1.00 0.48 H new ATOM 0 HA ALA A 28 -1.064 2.860 -10.647 1.00 0.53 H new ATOM 0 HB1 ALA A 28 -1.509 0.513 -11.230 1.00 0.53 H new ATOM 0 HB2 ALA A 28 -0.287 1.238 -12.302 1.00 0.53 H new ATOM 0 HB3 ALA A 28 0.214 0.131 -11.002 1.00 0.53 H new ATOM 280 N VAL A 29 0.173 1.248 -8.061 1.00 0.41 N ATOM 281 CA VAL A 29 -0.072 1.049 -6.641 1.00 0.46 C ATOM 282 C VAL A 29 -0.239 2.383 -5.924 1.00 0.42 C ATOM 283 O VAL A 29 -1.225 2.552 -5.209 1.00 0.53 O ATOM 284 CB VAL A 29 0.993 0.159 -5.979 1.00 0.69 C ATOM 285 CG1 VAL A 29 0.445 -0.321 -4.643 1.00 0.79 C ATOM 286 CG2 VAL A 29 1.284 -1.125 -6.759 1.00 0.87 C ATOM 0 H VAL A 29 1.106 0.971 -8.366 1.00 0.41 H new ATOM 0 HA VAL A 29 -1.013 0.506 -6.547 1.00 0.46 H new ATOM 0 HB VAL A 29 1.898 0.763 -5.914 1.00 0.69 H new ATOM 0 HG11 VAL A 29 1.184 -0.955 -4.153 1.00 0.79 H new ATOM 0 HG12 VAL A 29 0.228 0.539 -4.009 1.00 0.79 H new ATOM 0 HG13 VAL A 29 -0.470 -0.890 -4.808 1.00 0.79 H new ATOM 0 HG21 VAL A 29 2.044 -1.705 -6.235 1.00 0.87 H new ATOM 0 HG22 VAL A 29 0.371 -1.715 -6.842 1.00 0.87 H new ATOM 0 HG23 VAL A 29 1.644 -0.871 -7.756 1.00 0.87 H new ATOM 296 N ARG A 30 0.634 3.367 -6.188 1.00 0.39 N ATOM 297 CA ARG A 30 0.552 4.723 -5.611 1.00 0.45 C ATOM 298 C ARG A 30 -0.812 5.365 -5.884 1.00 0.50 C ATOM 299 O ARG A 30 -1.354 6.047 -5.018 1.00 0.58 O ATOM 300 CB ARG A 30 1.684 5.594 -6.209 1.00 0.46 C ATOM 301 CG ARG A 30 3.097 5.131 -5.802 1.00 0.44 C ATOM 302 CD ARG A 30 4.215 5.626 -6.747 1.00 0.53 C ATOM 303 NE ARG A 30 5.119 6.572 -6.062 1.00 1.05 N ATOM 304 CZ ARG A 30 5.057 7.891 -5.987 1.00 2.06 C ATOM 305 NH1 ARG A 30 4.158 8.614 -6.591 1.00 3.04 N ATOM 306 NH2 ARG A 30 5.934 8.519 -5.265 1.00 2.59 N ATOM 0 H ARG A 30 1.428 3.244 -6.816 1.00 0.39 H new ATOM 0 HA ARG A 30 0.669 4.652 -4.530 1.00 0.45 H new ATOM 0 HB2 ARG A 30 1.605 5.582 -7.296 1.00 0.46 H new ATOM 0 HB3 ARG A 30 1.543 6.627 -5.891 1.00 0.46 H new ATOM 0 HG2 ARG A 30 3.307 5.482 -4.792 1.00 0.44 H new ATOM 0 HG3 ARG A 30 3.117 4.042 -5.771 1.00 0.44 H new ATOM 0 HD2 ARG A 30 4.787 4.774 -7.114 1.00 0.53 H new ATOM 0 HD3 ARG A 30 3.771 6.110 -7.617 1.00 0.53 H new ATOM 0 HE ARG A 30 5.907 6.145 -5.575 1.00 1.05 H new ATOM 0 HH11 ARG A 30 3.444 8.165 -7.165 1.00 3.04 H new ATOM 0 HH12 ARG A 30 4.168 9.629 -6.490 1.00 3.04 H new ATOM 0 HH21 ARG A 30 6.655 7.995 -4.768 1.00 2.59 H new ATOM 0 HH22 ARG A 30 5.903 9.536 -5.195 1.00 2.59 H new ATOM 320 N LYS A 31 -1.418 5.088 -7.042 1.00 0.55 N ATOM 321 CA LYS A 31 -2.683 5.702 -7.481 1.00 0.67 C ATOM 322 C LYS A 31 -3.953 5.057 -6.940 1.00 0.69 C ATOM 323 O LYS A 31 -4.977 5.744 -6.882 1.00 0.73 O ATOM 324 CB LYS A 31 -2.672 5.863 -8.998 1.00 0.91 C ATOM 325 CG LYS A 31 -1.691 7.007 -9.254 1.00 0.96 C ATOM 326 CD LYS A 31 -1.455 7.315 -10.717 1.00 1.27 C ATOM 327 CE LYS A 31 -0.532 8.525 -10.668 1.00 1.37 C ATOM 328 NZ LYS A 31 0.017 8.806 -12.013 1.00 1.73 N ATOM 0 H LYS A 31 -1.041 4.421 -7.715 1.00 0.55 H new ATOM 0 HA LYS A 31 -2.727 6.690 -7.022 1.00 0.67 H new ATOM 0 HB2 LYS A 31 -2.350 4.946 -9.492 1.00 0.91 H new ATOM 0 HB3 LYS A 31 -3.665 6.099 -9.379 1.00 0.91 H new ATOM 0 HG2 LYS A 31 -2.064 7.905 -8.762 1.00 0.96 H new ATOM 0 HG3 LYS A 31 -0.736 6.761 -8.789 1.00 0.96 H new ATOM 0 HD2 LYS A 31 -0.993 6.476 -11.237 1.00 1.27 H new ATOM 0 HD3 LYS A 31 -2.386 7.539 -11.238 1.00 1.27 H new ATOM 0 HE2 LYS A 31 -1.079 9.394 -10.302 1.00 1.37 H new ATOM 0 HE3 LYS A 31 0.282 8.342 -9.966 1.00 1.37 H new ATOM 0 HZ1 LYS A 31 0.734 9.556 -11.945 1.00 1.73 H new ATOM 0 HZ2 LYS A 31 0.453 7.944 -12.397 1.00 1.73 H new ATOM 0 HZ3 LYS A 31 -0.750 9.116 -12.643 1.00 1.73 H new ATOM 342 N SER A 32 -3.897 3.814 -6.454 1.00 0.71 N ATOM 343 CA SER A 32 -4.953 3.304 -5.562 1.00 0.76 C ATOM 344 C SER A 32 -5.005 4.090 -4.240 1.00 0.66 C ATOM 345 O SER A 32 -6.093 4.366 -3.735 1.00 0.83 O ATOM 346 CB SER A 32 -4.750 1.808 -5.310 1.00 0.97 C ATOM 347 OG SER A 32 -5.630 1.332 -4.309 1.00 1.48 O ATOM 0 H SER A 32 -3.149 3.150 -6.655 1.00 0.71 H new ATOM 0 HA SER A 32 -5.915 3.446 -6.055 1.00 0.76 H new ATOM 0 HB2 SER A 32 -4.915 1.255 -6.235 1.00 0.97 H new ATOM 0 HB3 SER A 32 -3.719 1.624 -5.008 1.00 0.97 H new ATOM 0 HG SER A 32 -5.662 0.353 -4.341 1.00 1.48 H new ATOM 353 N LEU A 33 -3.843 4.510 -3.721 1.00 0.57 N ATOM 354 CA LEU A 33 -3.701 5.209 -2.435 1.00 0.61 C ATOM 355 C LEU A 33 -3.942 6.729 -2.530 1.00 0.55 C ATOM 356 O LEU A 33 -4.450 7.340 -1.591 1.00 0.64 O ATOM 357 CB LEU A 33 -2.286 4.971 -1.872 1.00 0.69 C ATOM 358 CG LEU A 33 -1.692 3.557 -1.967 1.00 0.59 C ATOM 359 CD1 LEU A 33 -0.204 3.564 -1.616 1.00 0.83 C ATOM 360 CD2 LEU A 33 -2.400 2.569 -1.055 1.00 0.52 C ATOM 0 H LEU A 33 -2.952 4.369 -4.196 1.00 0.57 H new ATOM 0 HA LEU A 33 -4.467 4.799 -1.777 1.00 0.61 H new ATOM 0 HB2 LEU A 33 -1.606 5.652 -2.383 1.00 0.69 H new ATOM 0 HB3 LEU A 33 -2.294 5.258 -0.821 1.00 0.69 H new ATOM 0 HG LEU A 33 -1.832 3.239 -3.000 1.00 0.59 H new ATOM 0 HD11 LEU A 33 0.192 2.551 -1.691 1.00 0.83 H new ATOM 0 HD12 LEU A 33 0.330 4.215 -2.308 1.00 0.83 H new ATOM 0 HD13 LEU A 33 -0.072 3.931 -0.598 1.00 0.83 H new ATOM 0 HD21 LEU A 33 -1.943 1.585 -1.160 1.00 0.52 H new ATOM 0 HD22 LEU A 33 -2.313 2.902 -0.021 1.00 0.52 H new ATOM 0 HD23 LEU A 33 -3.453 2.511 -1.330 1.00 0.52 H new ATOM 372 N GLN A 34 -3.551 7.348 -3.648 1.00 0.47 N ATOM 373 CA GLN A 34 -3.630 8.796 -3.859 1.00 0.57 C ATOM 374 C GLN A 34 -5.087 9.274 -3.879 1.00 0.57 C ATOM 375 O GLN A 34 -5.912 8.789 -4.658 1.00 0.60 O ATOM 376 CB GLN A 34 -2.870 9.155 -5.149 1.00 0.75 C ATOM 377 CG GLN A 34 -1.388 9.467 -4.911 1.00 0.88 C ATOM 378 CD GLN A 34 -0.609 9.474 -6.227 1.00 1.13 C ATOM 379 OE1 GLN A 34 -1.131 9.781 -7.293 1.00 1.69 O ATOM 380 NE2 GLN A 34 0.661 9.154 -6.229 1.00 1.32 N ATOM 0 H GLN A 34 -3.163 6.847 -4.447 1.00 0.47 H new ATOM 0 HA GLN A 34 -3.156 9.318 -3.027 1.00 0.57 H new ATOM 0 HB2 GLN A 34 -2.952 8.327 -5.853 1.00 0.75 H new ATOM 0 HB3 GLN A 34 -3.346 10.018 -5.615 1.00 0.75 H new ATOM 0 HG2 GLN A 34 -1.291 10.436 -4.422 1.00 0.88 H new ATOM 0 HG3 GLN A 34 -0.961 8.726 -4.236 1.00 0.88 H new ATOM 0 HE21 GLN A 34 1.123 8.894 -5.357 1.00 1.32 H new ATOM 0 HE22 GLN A 34 1.188 9.165 -7.102 1.00 1.32 H new ATOM 389 N GLY A 35 -5.366 10.239 -3.006 1.00 0.64 N ATOM 390 CA GLY A 35 -6.681 10.844 -2.754 1.00 0.71 C ATOM 391 C GLY A 35 -7.611 10.101 -1.774 1.00 0.78 C ATOM 392 O GLY A 35 -8.784 10.472 -1.671 1.00 1.00 O ATOM 0 H GLY A 35 -4.640 10.647 -2.418 1.00 0.64 H new ATOM 0 HA2 GLY A 35 -6.523 11.853 -2.374 1.00 0.71 H new ATOM 0 HA3 GLY A 35 -7.199 10.940 -3.708 1.00 0.71 H new ATOM 396 N VAL A 36 -7.155 9.065 -1.052 1.00 0.73 N ATOM 397 CA VAL A 36 -8.024 8.232 -0.202 1.00 0.81 C ATOM 398 C VAL A 36 -8.329 8.934 1.120 1.00 0.81 C ATOM 399 O VAL A 36 -7.438 9.213 1.919 1.00 0.67 O ATOM 400 CB VAL A 36 -7.420 6.830 0.023 1.00 0.86 C ATOM 401 CG1 VAL A 36 -8.196 5.999 1.057 1.00 1.01 C ATOM 402 CG2 VAL A 36 -7.441 6.035 -1.287 1.00 0.96 C ATOM 0 H VAL A 36 -6.175 8.781 -1.040 1.00 0.73 H new ATOM 0 HA VAL A 36 -8.969 8.091 -0.727 1.00 0.81 H new ATOM 0 HB VAL A 36 -6.407 6.998 0.388 1.00 0.86 H new ATOM 0 HG11 VAL A 36 -7.722 5.024 1.170 1.00 1.01 H new ATOM 0 HG12 VAL A 36 -8.194 6.517 2.016 1.00 1.01 H new ATOM 0 HG13 VAL A 36 -9.224 5.865 0.719 1.00 1.01 H new ATOM 0 HG21 VAL A 36 -7.013 5.047 -1.120 1.00 0.96 H new ATOM 0 HG22 VAL A 36 -8.469 5.931 -1.633 1.00 0.96 H new ATOM 0 HG23 VAL A 36 -6.856 6.561 -2.041 1.00 0.96 H new ATOM 412 N ALA A 37 -9.611 9.173 1.379 1.00 1.08 N ATOM 413 CA ALA A 37 -10.087 9.707 2.655 1.00 1.15 C ATOM 414 C ALA A 37 -9.689 8.783 3.829 1.00 1.02 C ATOM 415 O ALA A 37 -10.164 7.646 3.931 1.00 1.11 O ATOM 416 CB ALA A 37 -11.605 9.915 2.563 1.00 1.45 C ATOM 0 H ALA A 37 -10.357 9.001 0.705 1.00 1.08 H new ATOM 0 HA ALA A 37 -9.615 10.669 2.856 1.00 1.15 H new ATOM 0 HB1 ALA A 37 -11.976 10.313 3.508 1.00 1.45 H new ATOM 0 HB2 ALA A 37 -11.828 10.618 1.760 1.00 1.45 H new ATOM 0 HB3 ALA A 37 -12.091 8.962 2.356 1.00 1.45 H new ATOM 422 N GLY A 38 -8.826 9.279 4.720 1.00 0.87 N ATOM 423 CA GLY A 38 -8.188 8.520 5.805 1.00 0.72 C ATOM 424 C GLY A 38 -6.725 8.132 5.545 1.00 0.56 C ATOM 425 O GLY A 38 -6.135 7.420 6.362 1.00 0.41 O ATOM 0 H GLY A 38 -8.540 10.258 4.707 1.00 0.87 H new ATOM 0 HA2 GLY A 38 -8.236 9.111 6.720 1.00 0.72 H new ATOM 0 HA3 GLY A 38 -8.764 7.612 5.982 1.00 0.72 H new ATOM 429 N VAL A 39 -6.105 8.585 4.445 1.00 0.64 N ATOM 430 CA VAL A 39 -4.649 8.524 4.234 1.00 0.61 C ATOM 431 C VAL A 39 -3.995 9.852 4.651 1.00 0.71 C ATOM 432 O VAL A 39 -4.513 10.933 4.350 1.00 0.95 O ATOM 433 CB VAL A 39 -4.324 8.123 2.775 1.00 0.72 C ATOM 434 CG1 VAL A 39 -4.197 9.274 1.770 1.00 1.64 C ATOM 435 CG2 VAL A 39 -3.044 7.284 2.713 1.00 1.63 C ATOM 0 H VAL A 39 -6.607 9.010 3.666 1.00 0.64 H new ATOM 0 HA VAL A 39 -4.224 7.747 4.869 1.00 0.61 H new ATOM 0 HB VAL A 39 -5.200 7.551 2.470 1.00 0.72 H new ATOM 0 HG11 VAL A 39 -3.968 8.872 0.783 1.00 1.64 H new ATOM 0 HG12 VAL A 39 -5.136 9.826 1.728 1.00 1.64 H new ATOM 0 HG13 VAL A 39 -3.396 9.944 2.083 1.00 1.64 H new ATOM 0 HG21 VAL A 39 -2.836 7.014 1.678 1.00 1.63 H new ATOM 0 HG22 VAL A 39 -2.210 7.862 3.112 1.00 1.63 H new ATOM 0 HG23 VAL A 39 -3.174 6.378 3.305 1.00 1.63 H new ATOM 445 N GLN A 40 -2.849 9.792 5.329 1.00 0.61 N ATOM 446 CA GLN A 40 -1.951 10.937 5.520 1.00 0.66 C ATOM 447 C GLN A 40 -0.853 10.957 4.457 1.00 0.54 C ATOM 448 O GLN A 40 -0.654 11.968 3.782 1.00 0.61 O ATOM 449 CB GLN A 40 -1.298 10.885 6.909 1.00 0.73 C ATOM 450 CG GLN A 40 -2.134 11.574 7.994 1.00 1.07 C ATOM 451 CD GLN A 40 -1.324 11.815 9.271 1.00 2.54 C ATOM 452 OE1 GLN A 40 -0.169 11.423 9.412 1.00 3.88 O ATOM 453 NE2 GLN A 40 -1.878 12.482 10.253 1.00 2.72 N ATOM 0 H GLN A 40 -2.511 8.936 5.768 1.00 0.61 H new ATOM 0 HA GLN A 40 -2.552 11.842 5.431 1.00 0.66 H new ATOM 0 HB2 GLN A 40 -1.137 9.844 7.189 1.00 0.73 H new ATOM 0 HB3 GLN A 40 -0.317 11.357 6.860 1.00 0.73 H new ATOM 0 HG2 GLN A 40 -2.507 12.526 7.615 1.00 1.07 H new ATOM 0 HG3 GLN A 40 -3.004 10.960 8.226 1.00 1.07 H new ATOM 0 HE21 GLN A 40 -2.836 12.820 10.163 1.00 2.72 H new ATOM 0 HE22 GLN A 40 -1.351 12.664 11.107 1.00 2.72 H new ATOM 462 N ASP A 41 -0.148 9.837 4.302 1.00 0.44 N ATOM 463 CA ASP A 41 1.073 9.714 3.511 1.00 0.45 C ATOM 464 C ASP A 41 1.211 8.290 2.964 1.00 0.34 C ATOM 465 O ASP A 41 0.600 7.337 3.447 1.00 0.29 O ATOM 466 CB ASP A 41 2.310 10.043 4.369 1.00 0.52 C ATOM 467 CG ASP A 41 2.475 11.531 4.674 1.00 0.92 C ATOM 468 OD1 ASP A 41 1.957 12.011 5.707 1.00 2.34 O ATOM 469 OD2 ASP A 41 3.173 12.226 3.896 1.00 1.68 O ATOM 0 H ASP A 41 -0.423 8.958 4.741 1.00 0.44 H new ATOM 0 HA ASP A 41 1.010 10.420 2.683 1.00 0.45 H new ATOM 0 HB2 ASP A 41 2.244 9.495 5.309 1.00 0.52 H new ATOM 0 HB3 ASP A 41 3.202 9.687 3.854 1.00 0.52 H new ATOM 474 N VAL A 42 2.058 8.155 1.953 1.00 0.34 N ATOM 475 CA VAL A 42 2.373 6.912 1.246 1.00 0.39 C ATOM 476 C VAL A 42 3.828 6.926 0.785 1.00 0.42 C ATOM 477 O VAL A 42 4.403 8.002 0.577 1.00 0.44 O ATOM 478 CB VAL A 42 1.460 6.718 0.017 1.00 0.63 C ATOM 479 CG1 VAL A 42 -0.023 6.707 0.394 1.00 1.14 C ATOM 480 CG2 VAL A 42 1.637 7.752 -1.106 1.00 0.71 C ATOM 0 H VAL A 42 2.575 8.951 1.580 1.00 0.34 H new ATOM 0 HA VAL A 42 2.208 6.087 1.939 1.00 0.39 H new ATOM 0 HB VAL A 42 1.781 5.749 -0.365 1.00 0.63 H new ATOM 0 HG11 VAL A 42 -0.626 6.568 -0.504 1.00 1.14 H new ATOM 0 HG12 VAL A 42 -0.215 5.891 1.090 1.00 1.14 H new ATOM 0 HG13 VAL A 42 -0.286 7.655 0.864 1.00 1.14 H new ATOM 0 HG21 VAL A 42 0.950 7.525 -1.921 1.00 0.71 H new ATOM 0 HG22 VAL A 42 1.425 8.749 -0.719 1.00 0.71 H new ATOM 0 HG23 VAL A 42 2.662 7.716 -1.475 1.00 0.71 H new ATOM 490 N GLU A 43 4.434 5.756 0.596 1.00 0.52 N ATOM 491 CA GLU A 43 5.697 5.597 -0.113 1.00 0.67 C ATOM 492 C GLU A 43 5.816 4.172 -0.683 1.00 0.65 C ATOM 493 O GLU A 43 5.341 3.229 -0.056 1.00 0.86 O ATOM 494 CB GLU A 43 6.816 5.922 0.880 1.00 0.73 C ATOM 495 CG GLU A 43 8.138 6.148 0.160 1.00 1.04 C ATOM 496 CD GLU A 43 8.922 7.285 0.823 1.00 1.60 C ATOM 497 OE1 GLU A 43 8.547 8.472 0.662 1.00 2.81 O ATOM 498 OE2 GLU A 43 9.931 7.013 1.517 1.00 2.03 O ATOM 0 H GLU A 43 4.051 4.875 0.939 1.00 0.52 H new ATOM 0 HA GLU A 43 5.762 6.271 -0.967 1.00 0.67 H new ATOM 0 HB2 GLU A 43 6.552 6.812 1.451 1.00 0.73 H new ATOM 0 HB3 GLU A 43 6.922 5.105 1.594 1.00 0.73 H new ATOM 0 HG2 GLU A 43 8.729 5.232 0.177 1.00 1.04 H new ATOM 0 HG3 GLU A 43 7.952 6.388 -0.887 1.00 1.04 H new ATOM 505 N VAL A 44 6.451 3.959 -1.839 1.00 0.43 N ATOM 506 CA VAL A 44 6.708 2.617 -2.376 1.00 0.30 C ATOM 507 C VAL A 44 8.202 2.392 -2.593 1.00 0.31 C ATOM 508 O VAL A 44 8.891 3.202 -3.213 1.00 0.50 O ATOM 509 CB VAL A 44 5.837 2.352 -3.611 1.00 0.48 C ATOM 510 CG1 VAL A 44 5.980 3.342 -4.752 1.00 1.54 C ATOM 511 CG2 VAL A 44 6.095 0.967 -4.180 1.00 2.11 C ATOM 0 H VAL A 44 6.802 4.712 -2.431 1.00 0.43 H new ATOM 0 HA VAL A 44 6.410 1.868 -1.643 1.00 0.30 H new ATOM 0 HB VAL A 44 4.825 2.457 -3.220 1.00 0.48 H new ATOM 0 HG11 VAL A 44 5.318 3.054 -5.569 1.00 1.54 H new ATOM 0 HG12 VAL A 44 5.714 4.340 -4.403 1.00 1.54 H new ATOM 0 HG13 VAL A 44 7.011 3.344 -5.105 1.00 1.54 H new ATOM 0 HG21 VAL A 44 5.463 0.809 -5.054 1.00 2.11 H new ATOM 0 HG22 VAL A 44 7.142 0.882 -4.469 1.00 2.11 H new ATOM 0 HG23 VAL A 44 5.865 0.215 -3.425 1.00 2.11 H new ATOM 521 N HIS A 45 8.694 1.262 -2.088 1.00 0.34 N ATOM 522 CA HIS A 45 10.045 0.759 -2.319 1.00 0.35 C ATOM 523 C HIS A 45 9.984 -0.490 -3.193 1.00 0.31 C ATOM 524 O HIS A 45 10.041 -1.626 -2.719 1.00 0.44 O ATOM 525 CB HIS A 45 10.784 0.528 -0.996 1.00 0.59 C ATOM 526 CG HIS A 45 11.273 1.798 -0.347 1.00 0.80 C ATOM 527 ND1 HIS A 45 12.555 2.299 -0.419 1.00 1.14 N ATOM 528 CD2 HIS A 45 10.546 2.658 0.430 1.00 0.87 C ATOM 529 CE1 HIS A 45 12.605 3.436 0.286 1.00 1.39 C ATOM 530 NE2 HIS A 45 11.406 3.686 0.848 1.00 1.19 N ATOM 0 H HIS A 45 8.143 0.651 -1.486 1.00 0.34 H new ATOM 0 HA HIS A 45 10.625 1.509 -2.857 1.00 0.35 H new ATOM 0 HB2 HIS A 45 10.120 0.009 -0.305 1.00 0.59 H new ATOM 0 HB3 HIS A 45 11.635 -0.129 -1.175 1.00 0.59 H new ATOM 0 HD1 HIS A 45 13.334 1.875 -0.924 1.00 1.14 H new ATOM 0 HD2 HIS A 45 9.499 2.563 0.677 1.00 0.87 H new ATOM 0 HE1 HIS A 45 13.479 4.062 0.389 1.00 1.39 H new ATOM 538 N LEU A 46 9.921 -0.257 -4.501 1.00 0.32 N ATOM 539 CA LEU A 46 10.045 -1.254 -5.565 1.00 0.34 C ATOM 540 C LEU A 46 11.314 -2.106 -5.389 1.00 0.32 C ATOM 541 O LEU A 46 11.294 -3.325 -5.548 1.00 0.41 O ATOM 542 CB LEU A 46 10.052 -0.412 -6.855 1.00 0.49 C ATOM 543 CG LEU A 46 10.157 -1.116 -8.214 1.00 0.61 C ATOM 544 CD1 LEU A 46 11.585 -1.574 -8.490 1.00 1.54 C ATOM 545 CD2 LEU A 46 9.163 -2.269 -8.346 1.00 0.91 C ATOM 0 H LEU A 46 9.774 0.683 -4.869 1.00 0.32 H new ATOM 0 HA LEU A 46 9.237 -1.986 -5.569 1.00 0.34 H new ATOM 0 HB2 LEU A 46 9.137 0.181 -6.864 1.00 0.49 H new ATOM 0 HB3 LEU A 46 10.885 0.288 -6.784 1.00 0.49 H new ATOM 0 HG LEU A 46 9.889 -0.383 -8.975 1.00 0.61 H new ATOM 0 HD11 LEU A 46 11.627 -2.069 -9.460 1.00 1.54 H new ATOM 0 HD12 LEU A 46 12.250 -0.710 -8.494 1.00 1.54 H new ATOM 0 HD13 LEU A 46 11.900 -2.270 -7.713 1.00 1.54 H new ATOM 0 HD21 LEU A 46 9.275 -2.736 -9.324 1.00 0.91 H new ATOM 0 HD22 LEU A 46 9.356 -3.007 -7.567 1.00 0.91 H new ATOM 0 HD23 LEU A 46 8.147 -1.888 -8.241 1.00 0.91 H new ATOM 557 N GLU A 47 12.384 -1.458 -4.941 1.00 0.37 N ATOM 558 CA GLU A 47 13.676 -2.038 -4.531 1.00 0.54 C ATOM 559 C GLU A 47 13.600 -3.087 -3.394 1.00 0.56 C ATOM 560 O GLU A 47 14.522 -3.893 -3.263 1.00 0.78 O ATOM 561 CB GLU A 47 14.694 -0.924 -4.178 1.00 0.73 C ATOM 562 CG GLU A 47 14.066 0.412 -3.749 1.00 2.53 C ATOM 563 CD GLU A 47 14.976 1.224 -2.819 1.00 3.40 C ATOM 564 OE1 GLU A 47 15.776 2.054 -3.318 1.00 3.18 O ATOM 565 OE2 GLU A 47 14.845 1.088 -1.578 1.00 4.94 O ATOM 0 H GLU A 47 12.380 -0.443 -4.845 1.00 0.37 H new ATOM 0 HA GLU A 47 14.019 -2.593 -5.404 1.00 0.54 H new ATOM 0 HB2 GLU A 47 15.338 -1.281 -3.374 1.00 0.73 H new ATOM 0 HB3 GLU A 47 15.333 -0.748 -5.043 1.00 0.73 H new ATOM 0 HG2 GLU A 47 13.840 1.004 -4.636 1.00 2.53 H new ATOM 0 HG3 GLU A 47 13.119 0.218 -3.245 1.00 2.53 H new ATOM 572 N ASP A 48 12.518 -3.140 -2.606 1.00 0.40 N ATOM 573 CA ASP A 48 12.204 -4.240 -1.666 1.00 0.39 C ATOM 574 C ASP A 48 10.879 -4.950 -2.006 1.00 0.36 C ATOM 575 O ASP A 48 10.439 -5.836 -1.274 1.00 0.43 O ATOM 576 CB ASP A 48 12.150 -3.716 -0.215 1.00 0.49 C ATOM 577 CG ASP A 48 12.511 -4.761 0.858 1.00 1.14 C ATOM 578 OD1 ASP A 48 13.273 -5.720 0.570 1.00 2.44 O ATOM 579 OD2 ASP A 48 12.085 -4.594 2.028 1.00 1.91 O ATOM 0 H ASP A 48 11.814 -2.402 -2.600 1.00 0.40 H new ATOM 0 HA ASP A 48 13.007 -4.971 -1.765 1.00 0.39 H new ATOM 0 HB2 ASP A 48 12.831 -2.870 -0.123 1.00 0.49 H new ATOM 0 HB3 ASP A 48 11.146 -3.341 -0.015 1.00 0.49 H new ATOM 584 N GLN A 49 10.207 -4.552 -3.090 1.00 0.31 N ATOM 585 CA GLN A 49 8.785 -4.817 -3.351 1.00 0.33 C ATOM 586 C GLN A 49 7.856 -4.454 -2.169 1.00 0.38 C ATOM 587 O GLN A 49 6.815 -5.083 -1.980 1.00 0.43 O ATOM 588 CB GLN A 49 8.563 -6.253 -3.849 1.00 0.41 C ATOM 589 CG GLN A 49 9.375 -6.664 -5.060 1.00 0.37 C ATOM 590 CD GLN A 49 8.910 -8.009 -5.611 1.00 1.89 C ATOM 591 OE1 GLN A 49 9.102 -9.071 -5.024 1.00 2.22 O ATOM 592 NE2 GLN A 49 8.227 -8.021 -6.730 1.00 3.50 N ATOM 0 H GLN A 49 10.651 -4.018 -3.837 1.00 0.31 H new ATOM 0 HA GLN A 49 8.496 -4.140 -4.155 1.00 0.33 H new ATOM 0 HB2 GLN A 49 8.790 -6.939 -3.033 1.00 0.41 H new ATOM 0 HB3 GLN A 49 7.506 -6.376 -4.085 1.00 0.41 H new ATOM 0 HG2 GLN A 49 9.288 -5.902 -5.834 1.00 0.37 H new ATOM 0 HG3 GLN A 49 10.429 -6.724 -4.790 1.00 0.37 H new ATOM 0 HE21 GLN A 49 8.056 -7.150 -7.233 1.00 3.50 H new ATOM 0 HE22 GLN A 49 7.866 -8.901 -7.098 1.00 3.50 H new ATOM 601 N MET A 50 8.236 -3.460 -1.359 1.00 0.46 N ATOM 602 CA MET A 50 7.483 -3.009 -0.185 1.00 0.42 C ATOM 603 C MET A 50 6.660 -1.741 -0.472 1.00 0.31 C ATOM 604 O MET A 50 7.063 -0.896 -1.273 1.00 0.33 O ATOM 605 CB MET A 50 8.468 -2.773 0.972 1.00 0.53 C ATOM 606 CG MET A 50 7.792 -2.457 2.314 1.00 0.47 C ATOM 607 SD MET A 50 6.770 -3.740 3.079 1.00 1.77 S ATOM 608 CE MET A 50 7.699 -5.258 2.760 1.00 0.97 C ATOM 0 H MET A 50 9.097 -2.934 -1.506 1.00 0.46 H new ATOM 0 HA MET A 50 6.766 -3.784 0.087 1.00 0.42 H new ATOM 0 HB2 MET A 50 9.092 -3.659 1.091 1.00 0.53 H new ATOM 0 HB3 MET A 50 9.131 -1.949 0.708 1.00 0.53 H new ATOM 0 HG2 MET A 50 8.573 -2.185 3.024 1.00 0.47 H new ATOM 0 HG3 MET A 50 7.168 -1.574 2.173 1.00 0.47 H new ATOM 0 HE1 MET A 50 7.192 -6.100 3.231 1.00 0.97 H new ATOM 0 HE2 MET A 50 7.762 -5.427 1.685 1.00 0.97 H new ATOM 0 HE3 MET A 50 8.704 -5.163 3.172 1.00 0.97 H new ATOM 618 N VAL A 51 5.543 -1.562 0.234 1.00 0.26 N ATOM 619 CA VAL A 51 4.678 -0.378 0.179 1.00 0.26 C ATOM 620 C VAL A 51 4.335 0.095 1.592 1.00 0.25 C ATOM 621 O VAL A 51 3.941 -0.705 2.438 1.00 0.33 O ATOM 622 CB VAL A 51 3.378 -0.640 -0.612 1.00 0.33 C ATOM 623 CG1 VAL A 51 2.875 0.689 -1.171 1.00 0.58 C ATOM 624 CG2 VAL A 51 3.542 -1.586 -1.800 1.00 0.65 C ATOM 0 H VAL A 51 5.200 -2.266 0.888 1.00 0.26 H new ATOM 0 HA VAL A 51 5.234 0.400 -0.345 1.00 0.26 H new ATOM 0 HB VAL A 51 2.688 -1.108 0.091 1.00 0.33 H new ATOM 0 HG11 VAL A 51 1.956 0.523 -1.733 1.00 0.58 H new ATOM 0 HG12 VAL A 51 2.678 1.378 -0.350 1.00 0.58 H new ATOM 0 HG13 VAL A 51 3.631 1.116 -1.830 1.00 0.58 H new ATOM 0 HG21 VAL A 51 2.581 -1.714 -2.298 1.00 0.65 H new ATOM 0 HG22 VAL A 51 4.262 -1.166 -2.503 1.00 0.65 H new ATOM 0 HG23 VAL A 51 3.900 -2.553 -1.448 1.00 0.65 H new ATOM 634 N LEU A 52 4.471 1.399 1.828 1.00 0.36 N ATOM 635 CA LEU A 52 4.133 2.108 3.058 1.00 0.36 C ATOM 636 C LEU A 52 2.846 2.901 2.851 1.00 0.31 C ATOM 637 O LEU A 52 2.724 3.682 1.903 1.00 0.35 O ATOM 638 CB LEU A 52 5.268 3.074 3.457 1.00 0.47 C ATOM 639 CG LEU A 52 6.592 2.422 3.907 1.00 0.58 C ATOM 640 CD1 LEU A 52 7.510 2.042 2.740 1.00 1.15 C ATOM 641 CD2 LEU A 52 7.363 3.399 4.795 1.00 1.02 C ATOM 0 H LEU A 52 4.845 2.028 1.117 1.00 0.36 H new ATOM 0 HA LEU A 52 3.996 1.377 3.855 1.00 0.36 H new ATOM 0 HB2 LEU A 52 5.478 3.725 2.608 1.00 0.47 H new ATOM 0 HB3 LEU A 52 4.908 3.710 4.265 1.00 0.47 H new ATOM 0 HG LEU A 52 6.317 1.510 4.436 1.00 0.58 H new ATOM 0 HD11 LEU A 52 8.422 1.589 3.127 1.00 1.15 H new ATOM 0 HD12 LEU A 52 6.999 1.331 2.092 1.00 1.15 H new ATOM 0 HD13 LEU A 52 7.763 2.936 2.170 1.00 1.15 H new ATOM 0 HD21 LEU A 52 8.299 2.940 5.114 1.00 1.02 H new ATOM 0 HD22 LEU A 52 7.578 4.309 4.234 1.00 1.02 H new ATOM 0 HD23 LEU A 52 6.763 3.646 5.671 1.00 1.02 H new ATOM 653 N VAL A 53 1.901 2.723 3.768 1.00 0.26 N ATOM 654 CA VAL A 53 0.600 3.392 3.772 1.00 0.23 C ATOM 655 C VAL A 53 0.335 3.923 5.180 1.00 0.20 C ATOM 656 O VAL A 53 0.060 3.152 6.098 1.00 0.21 O ATOM 657 CB VAL A 53 -0.503 2.422 3.299 1.00 0.22 C ATOM 658 CG1 VAL A 53 -1.828 3.177 3.134 1.00 0.24 C ATOM 659 CG2 VAL A 53 -0.180 1.750 1.956 1.00 0.27 C ATOM 0 H VAL A 53 2.022 2.088 4.557 1.00 0.26 H new ATOM 0 HA VAL A 53 0.599 4.231 3.076 1.00 0.23 H new ATOM 0 HB VAL A 53 -0.572 1.648 4.064 1.00 0.22 H new ATOM 0 HG11 VAL A 53 -2.602 2.486 2.800 1.00 0.24 H new ATOM 0 HG12 VAL A 53 -2.119 3.614 4.089 1.00 0.24 H new ATOM 0 HG13 VAL A 53 -1.706 3.969 2.395 1.00 0.24 H new ATOM 0 HG21 VAL A 53 -0.994 1.080 1.679 1.00 0.27 H new ATOM 0 HG22 VAL A 53 -0.060 2.513 1.187 1.00 0.27 H new ATOM 0 HG23 VAL A 53 0.744 1.179 2.048 1.00 0.27 H new ATOM 669 N HIS A 54 0.442 5.238 5.359 1.00 0.20 N ATOM 670 CA HIS A 54 0.196 5.936 6.623 1.00 0.20 C ATOM 671 C HIS A 54 -1.297 6.317 6.709 1.00 0.21 C ATOM 672 O HIS A 54 -1.732 7.279 6.069 1.00 0.26 O ATOM 673 CB HIS A 54 1.115 7.168 6.713 1.00 0.24 C ATOM 674 CG HIS A 54 2.596 6.906 6.557 1.00 0.28 C ATOM 675 ND1 HIS A 54 3.543 7.033 7.543 1.00 0.44 N ATOM 676 CD2 HIS A 54 3.269 6.600 5.404 1.00 0.26 C ATOM 677 CE1 HIS A 54 4.752 6.806 7.004 1.00 0.47 C ATOM 678 NE2 HIS A 54 4.642 6.556 5.687 1.00 0.36 N ATOM 0 H HIS A 54 0.711 5.869 4.604 1.00 0.20 H new ATOM 0 HA HIS A 54 0.425 5.290 7.471 1.00 0.20 H new ATOM 0 HB2 HIS A 54 0.810 7.880 5.946 1.00 0.24 H new ATOM 0 HB3 HIS A 54 0.951 7.648 7.678 1.00 0.24 H new ATOM 0 HD2 HIS A 54 2.818 6.422 4.439 1.00 0.26 H new ATOM 0 HE1 HIS A 54 5.683 6.822 7.552 1.00 0.47 H new ATOM 0 HE2 HIS A 54 5.400 6.372 5.030 1.00 0.36 H new ATOM 686 N THR A 55 -2.117 5.544 7.433 1.00 0.22 N ATOM 687 CA THR A 55 -3.595 5.617 7.350 1.00 0.25 C ATOM 688 C THR A 55 -4.315 5.206 8.647 1.00 0.26 C ATOM 689 O THR A 55 -3.741 4.527 9.499 1.00 0.27 O ATOM 690 CB THR A 55 -4.075 4.731 6.183 1.00 0.30 C ATOM 691 OG1 THR A 55 -5.465 4.836 5.995 1.00 0.37 O ATOM 692 CG2 THR A 55 -3.786 3.239 6.366 1.00 0.35 C ATOM 0 H THR A 55 -1.780 4.846 8.097 1.00 0.22 H new ATOM 0 HA THR A 55 -3.851 6.663 7.184 1.00 0.25 H new ATOM 0 HB THR A 55 -3.513 5.106 5.328 1.00 0.30 H new ATOM 0 HG1 THR A 55 -5.714 5.781 5.917 1.00 0.37 H new ATOM 0 HG21 THR A 55 -4.156 2.688 5.501 1.00 0.35 H new ATOM 0 HG22 THR A 55 -2.711 3.086 6.462 1.00 0.35 H new ATOM 0 HG23 THR A 55 -4.285 2.879 7.266 1.00 0.35 H new ATOM 700 N THR A 56 -5.587 5.603 8.796 1.00 0.28 N ATOM 701 CA THR A 56 -6.505 5.195 9.886 1.00 0.30 C ATOM 702 C THR A 56 -7.343 3.937 9.574 1.00 0.34 C ATOM 703 O THR A 56 -8.027 3.411 10.459 1.00 0.42 O ATOM 704 CB THR A 56 -7.445 6.357 10.263 1.00 0.35 C ATOM 705 OG1 THR A 56 -8.234 6.718 9.151 1.00 0.45 O ATOM 706 CG2 THR A 56 -6.685 7.610 10.692 1.00 0.40 C ATOM 0 H THR A 56 -6.029 6.244 8.137 1.00 0.28 H new ATOM 0 HA THR A 56 -5.859 4.936 10.725 1.00 0.30 H new ATOM 0 HB THR A 56 -8.052 6.000 11.095 1.00 0.35 H new ATOM 0 HG1 THR A 56 -8.830 7.456 9.398 1.00 0.45 H new ATOM 0 HG21 THR A 56 -7.395 8.397 10.946 1.00 0.40 H new ATOM 0 HG22 THR A 56 -6.069 7.382 11.562 1.00 0.40 H new ATOM 0 HG23 THR A 56 -6.048 7.947 9.874 1.00 0.40 H new ATOM 714 N LEU A 57 -7.291 3.439 8.332 1.00 0.32 N ATOM 715 CA LEU A 57 -8.046 2.278 7.826 1.00 0.35 C ATOM 716 C LEU A 57 -7.588 0.939 8.444 1.00 0.40 C ATOM 717 O LEU A 57 -6.444 0.843 8.903 1.00 0.47 O ATOM 718 CB LEU A 57 -7.894 2.245 6.289 1.00 0.31 C ATOM 719 CG LEU A 57 -8.489 3.464 5.559 1.00 0.31 C ATOM 720 CD1 LEU A 57 -8.202 3.338 4.063 1.00 0.40 C ATOM 721 CD2 LEU A 57 -9.998 3.587 5.774 1.00 0.41 C ATOM 0 H LEU A 57 -6.694 3.852 7.616 1.00 0.32 H new ATOM 0 HA LEU A 57 -9.090 2.394 8.116 1.00 0.35 H new ATOM 0 HB2 LEU A 57 -6.835 2.173 6.043 1.00 0.31 H new ATOM 0 HB3 LEU A 57 -8.372 1.342 5.909 1.00 0.31 H new ATOM 0 HG LEU A 57 -8.023 4.360 5.970 1.00 0.31 H new ATOM 0 HD11 LEU A 57 -8.620 4.197 3.539 1.00 0.40 H new ATOM 0 HD12 LEU A 57 -7.125 3.303 3.901 1.00 0.40 H new ATOM 0 HD13 LEU A 57 -8.656 2.424 3.681 1.00 0.40 H new ATOM 0 HD21 LEU A 57 -10.372 4.461 5.240 1.00 0.41 H new ATOM 0 HD22 LEU A 57 -10.493 2.692 5.397 1.00 0.41 H new ATOM 0 HD23 LEU A 57 -10.206 3.696 6.838 1.00 0.41 H new ATOM 733 N PRO A 58 -8.421 -0.124 8.433 1.00 0.43 N ATOM 734 CA PRO A 58 -8.020 -1.454 8.891 1.00 0.47 C ATOM 735 C PRO A 58 -7.104 -2.090 7.842 1.00 0.33 C ATOM 736 O PRO A 58 -7.405 -2.003 6.654 1.00 0.31 O ATOM 737 CB PRO A 58 -9.323 -2.265 9.056 1.00 0.61 C ATOM 738 CG PRO A 58 -10.442 -1.237 8.865 1.00 0.64 C ATOM 739 CD PRO A 58 -9.779 -0.239 7.924 1.00 0.50 C ATOM 0 HA PRO A 58 -7.471 -1.421 9.832 1.00 0.47 H new ATOM 0 HB2 PRO A 58 -9.389 -3.065 8.318 1.00 0.61 H new ATOM 0 HB3 PRO A 58 -9.377 -2.733 10.039 1.00 0.61 H new ATOM 0 HG2 PRO A 58 -11.337 -1.681 8.428 1.00 0.64 H new ATOM 0 HG3 PRO A 58 -10.741 -0.777 9.807 1.00 0.64 H new ATOM 0 HD2 PRO A 58 -9.790 -0.594 6.893 1.00 0.50 H new ATOM 0 HD3 PRO A 58 -10.292 0.722 7.936 1.00 0.50 H new ATOM 747 N SER A 59 -6.023 -2.778 8.214 1.00 0.32 N ATOM 748 CA SER A 59 -5.114 -3.387 7.217 1.00 0.31 C ATOM 749 C SER A 59 -5.816 -4.445 6.349 1.00 0.27 C ATOM 750 O SER A 59 -5.541 -4.540 5.154 1.00 0.37 O ATOM 751 CB SER A 59 -3.819 -3.940 7.839 1.00 0.43 C ATOM 752 OG SER A 59 -3.659 -3.568 9.202 1.00 0.92 O ATOM 0 H SER A 59 -5.750 -2.931 9.185 1.00 0.32 H new ATOM 0 HA SER A 59 -4.820 -2.570 6.558 1.00 0.31 H new ATOM 0 HB2 SER A 59 -3.820 -5.027 7.762 1.00 0.43 H new ATOM 0 HB3 SER A 59 -2.964 -3.580 7.266 1.00 0.43 H new ATOM 0 HG SER A 59 -2.762 -3.197 9.337 1.00 0.92 H new ATOM 758 N GLN A 60 -6.813 -5.132 6.912 1.00 0.33 N ATOM 759 CA GLN A 60 -7.792 -5.982 6.236 1.00 0.42 C ATOM 760 C GLN A 60 -8.553 -5.278 5.087 1.00 0.43 C ATOM 761 O GLN A 60 -8.931 -5.928 4.112 1.00 0.60 O ATOM 762 CB GLN A 60 -8.736 -6.449 7.357 1.00 0.69 C ATOM 763 CG GLN A 60 -9.897 -7.310 6.876 1.00 1.89 C ATOM 764 CD GLN A 60 -10.551 -8.070 8.000 1.00 2.84 C ATOM 765 OE1 GLN A 60 -10.264 -9.236 8.239 1.00 4.05 O ATOM 766 NE2 GLN A 60 -11.508 -7.509 8.677 1.00 3.56 N ATOM 0 H GLN A 60 -6.967 -5.106 7.920 1.00 0.33 H new ATOM 0 HA GLN A 60 -7.299 -6.811 5.728 1.00 0.42 H new ATOM 0 HB2 GLN A 60 -8.160 -7.013 8.091 1.00 0.69 H new ATOM 0 HB3 GLN A 60 -9.135 -5.573 7.869 1.00 0.69 H new ATOM 0 HG2 GLN A 60 -10.639 -6.677 6.389 1.00 1.89 H new ATOM 0 HG3 GLN A 60 -9.537 -8.014 6.126 1.00 1.89 H new ATOM 0 HE21 GLN A 60 -11.762 -6.538 8.493 1.00 3.56 H new ATOM 0 HE22 GLN A 60 -12.005 -8.039 9.393 1.00 3.56 H new ATOM 775 N GLU A 61 -8.750 -3.957 5.162 1.00 0.36 N ATOM 776 CA GLU A 61 -9.305 -3.136 4.082 1.00 0.42 C ATOM 777 C GLU A 61 -8.223 -2.722 3.070 1.00 0.42 C ATOM 778 O GLU A 61 -8.410 -2.849 1.859 1.00 0.52 O ATOM 779 CB GLU A 61 -9.979 -1.911 4.723 1.00 0.49 C ATOM 780 CG GLU A 61 -10.944 -1.191 3.789 1.00 0.82 C ATOM 781 CD GLU A 61 -11.774 -0.098 4.475 1.00 1.27 C ATOM 782 OE1 GLU A 61 -12.424 -0.384 5.511 1.00 2.29 O ATOM 783 OE2 GLU A 61 -11.893 1.017 3.907 1.00 2.29 O ATOM 0 H GLU A 61 -8.522 -3.417 5.996 1.00 0.36 H new ATOM 0 HA GLU A 61 -10.038 -3.712 3.517 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -10.518 -2.228 5.616 1.00 0.49 H new ATOM 0 HB3 GLU A 61 -9.209 -1.211 5.048 1.00 0.49 H new ATOM 0 HG2 GLU A 61 -10.378 -0.744 2.972 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -11.620 -1.923 3.346 1.00 0.82 H new ATOM 790 N VAL A 62 -7.052 -2.276 3.546 1.00 0.31 N ATOM 791 CA VAL A 62 -5.964 -1.777 2.704 1.00 0.29 C ATOM 792 C VAL A 62 -5.396 -2.883 1.816 1.00 0.26 C ATOM 793 O VAL A 62 -5.082 -2.608 0.665 1.00 0.25 O ATOM 794 CB VAL A 62 -4.843 -1.132 3.544 1.00 0.27 C ATOM 795 CG1 VAL A 62 -3.933 -0.282 2.659 1.00 0.34 C ATOM 796 CG2 VAL A 62 -5.356 -0.194 4.640 1.00 0.36 C ATOM 0 H VAL A 62 -6.834 -2.253 4.542 1.00 0.31 H new ATOM 0 HA VAL A 62 -6.388 -1.006 2.061 1.00 0.29 H new ATOM 0 HB VAL A 62 -4.321 -1.973 4.001 1.00 0.27 H new ATOM 0 HG11 VAL A 62 -3.148 0.166 3.268 1.00 0.34 H new ATOM 0 HG12 VAL A 62 -3.483 -0.910 1.891 1.00 0.34 H new ATOM 0 HG13 VAL A 62 -4.519 0.506 2.186 1.00 0.34 H new ATOM 0 HG21 VAL A 62 -4.511 0.222 5.188 1.00 0.36 H new ATOM 0 HG22 VAL A 62 -5.928 0.616 4.187 1.00 0.36 H new ATOM 0 HG23 VAL A 62 -5.995 -0.751 5.326 1.00 0.36 H new ATOM 806 N GLN A 63 -5.348 -4.139 2.281 1.00 0.28 N ATOM 807 CA GLN A 63 -4.999 -5.289 1.437 1.00 0.32 C ATOM 808 C GLN A 63 -5.896 -5.342 0.198 1.00 0.36 C ATOM 809 O GLN A 63 -5.372 -5.466 -0.902 1.00 0.41 O ATOM 810 CB GLN A 63 -5.098 -6.604 2.235 1.00 0.40 C ATOM 811 CG GLN A 63 -4.775 -7.849 1.373 1.00 0.52 C ATOM 812 CD GLN A 63 -5.422 -9.126 1.898 1.00 0.89 C ATOM 813 OE1 GLN A 63 -5.262 -9.503 3.050 1.00 1.00 O ATOM 814 NE2 GLN A 63 -6.171 -9.845 1.086 1.00 1.87 N ATOM 0 H GLN A 63 -5.549 -4.385 3.250 1.00 0.28 H new ATOM 0 HA GLN A 63 -3.967 -5.167 1.108 1.00 0.32 H new ATOM 0 HB2 GLN A 63 -4.411 -6.564 3.081 1.00 0.40 H new ATOM 0 HB3 GLN A 63 -6.103 -6.701 2.645 1.00 0.40 H new ATOM 0 HG2 GLN A 63 -5.111 -7.673 0.351 1.00 0.52 H new ATOM 0 HG3 GLN A 63 -3.694 -7.986 1.334 1.00 0.52 H new ATOM 0 HE21 GLN A 63 -6.314 -9.543 0.122 1.00 1.87 H new ATOM 0 HE22 GLN A 63 -6.608 -10.703 1.421 1.00 1.87 H new ATOM 823 N ALA A 64 -7.217 -5.211 0.332 1.00 0.40 N ATOM 824 CA ALA A 64 -8.110 -5.296 -0.818 1.00 0.46 C ATOM 825 C ALA A 64 -7.979 -4.048 -1.708 1.00 0.43 C ATOM 826 O ALA A 64 -8.083 -4.146 -2.934 1.00 0.55 O ATOM 827 CB ALA A 64 -9.543 -5.482 -0.309 1.00 0.55 C ATOM 0 H ALA A 64 -7.687 -5.047 1.222 1.00 0.40 H new ATOM 0 HA ALA A 64 -7.838 -6.151 -1.437 1.00 0.46 H new ATOM 0 HB1 ALA A 64 -10.225 -5.547 -1.157 1.00 0.55 H new ATOM 0 HB2 ALA A 64 -9.605 -6.399 0.278 1.00 0.55 H new ATOM 0 HB3 ALA A 64 -9.821 -4.632 0.315 1.00 0.55 H new ATOM 833 N LEU A 65 -7.680 -2.886 -1.112 1.00 0.36 N ATOM 834 CA LEU A 65 -7.420 -1.649 -1.844 1.00 0.36 C ATOM 835 C LEU A 65 -6.150 -1.743 -2.713 1.00 0.34 C ATOM 836 O LEU A 65 -6.151 -1.338 -3.880 1.00 0.42 O ATOM 837 CB LEU A 65 -7.355 -0.479 -0.858 1.00 0.40 C ATOM 838 CG LEU A 65 -8.720 -0.089 -0.255 1.00 0.52 C ATOM 839 CD1 LEU A 65 -8.517 0.983 0.812 1.00 0.56 C ATOM 840 CD2 LEU A 65 -9.697 0.478 -1.288 1.00 0.73 C ATOM 0 H LEU A 65 -7.612 -2.782 -0.100 1.00 0.36 H new ATOM 0 HA LEU A 65 -8.242 -1.477 -2.539 1.00 0.36 H new ATOM 0 HB2 LEU A 65 -6.672 -0.737 -0.048 1.00 0.40 H new ATOM 0 HB3 LEU A 65 -6.933 0.388 -1.366 1.00 0.40 H new ATOM 0 HG LEU A 65 -9.144 -1.006 0.155 1.00 0.52 H new ATOM 0 HD11 LEU A 65 -9.481 1.259 1.239 1.00 0.56 H new ATOM 0 HD12 LEU A 65 -7.870 0.595 1.599 1.00 0.56 H new ATOM 0 HD13 LEU A 65 -8.055 1.861 0.362 1.00 0.56 H new ATOM 0 HD21 LEU A 65 -10.637 0.732 -0.798 1.00 0.73 H new ATOM 0 HD22 LEU A 65 -9.270 1.373 -1.740 1.00 0.73 H new ATOM 0 HD23 LEU A 65 -9.881 -0.267 -2.062 1.00 0.73 H new ATOM 852 N LEU A 66 -5.092 -2.326 -2.148 1.00 0.30 N ATOM 853 CA LEU A 66 -3.838 -2.707 -2.807 1.00 0.32 C ATOM 854 C LEU A 66 -4.046 -3.824 -3.845 1.00 0.36 C ATOM 855 O LEU A 66 -3.484 -3.760 -4.931 1.00 0.42 O ATOM 856 CB LEU A 66 -2.835 -3.162 -1.725 1.00 0.30 C ATOM 857 CG LEU A 66 -2.305 -2.025 -0.827 1.00 0.29 C ATOM 858 CD1 LEU A 66 -1.789 -2.587 0.499 1.00 0.27 C ATOM 859 CD2 LEU A 66 -1.163 -1.272 -1.511 1.00 0.35 C ATOM 0 H LEU A 66 -5.086 -2.560 -1.155 1.00 0.30 H new ATOM 0 HA LEU A 66 -3.451 -1.843 -3.347 1.00 0.32 H new ATOM 0 HB2 LEU A 66 -3.314 -3.912 -1.096 1.00 0.30 H new ATOM 0 HB3 LEU A 66 -1.989 -3.648 -2.212 1.00 0.30 H new ATOM 0 HG LEU A 66 -3.133 -1.340 -0.645 1.00 0.29 H new ATOM 0 HD11 LEU A 66 -1.419 -1.772 1.120 1.00 0.27 H new ATOM 0 HD12 LEU A 66 -2.600 -3.099 1.017 1.00 0.27 H new ATOM 0 HD13 LEU A 66 -0.980 -3.292 0.305 1.00 0.27 H new ATOM 0 HD21 LEU A 66 -0.808 -0.476 -0.856 1.00 0.35 H new ATOM 0 HD22 LEU A 66 -0.345 -1.962 -1.719 1.00 0.35 H new ATOM 0 HD23 LEU A 66 -1.520 -0.840 -2.446 1.00 0.35 H new ATOM 871 N GLU A 67 -4.886 -4.820 -3.572 1.00 0.40 N ATOM 872 CA GLU A 67 -5.204 -5.915 -4.502 1.00 0.50 C ATOM 873 C GLU A 67 -5.866 -5.419 -5.804 1.00 0.61 C ATOM 874 O GLU A 67 -5.575 -5.942 -6.885 1.00 0.76 O ATOM 875 CB GLU A 67 -6.093 -6.939 -3.774 1.00 0.68 C ATOM 876 CG GLU A 67 -5.294 -8.005 -3.005 1.00 0.51 C ATOM 877 CD GLU A 67 -6.111 -9.291 -2.867 1.00 1.01 C ATOM 878 OE1 GLU A 67 -6.193 -10.041 -3.873 1.00 2.24 O ATOM 879 OE2 GLU A 67 -6.687 -9.558 -1.782 1.00 2.08 O ATOM 0 H GLU A 67 -5.378 -4.895 -2.681 1.00 0.40 H new ATOM 0 HA GLU A 67 -4.271 -6.387 -4.810 1.00 0.50 H new ATOM 0 HB2 GLU A 67 -6.746 -6.412 -3.078 1.00 0.68 H new ATOM 0 HB3 GLU A 67 -6.736 -7.433 -4.502 1.00 0.68 H new ATOM 0 HG2 GLU A 67 -4.360 -8.215 -3.527 1.00 0.51 H new ATOM 0 HG3 GLU A 67 -5.029 -7.627 -2.017 1.00 0.51 H new ATOM 886 N GLY A 68 -6.663 -4.346 -5.741 1.00 0.62 N ATOM 887 CA GLY A 68 -7.230 -3.658 -6.916 1.00 0.79 C ATOM 888 C GLY A 68 -6.195 -3.000 -7.847 1.00 0.78 C ATOM 889 O GLY A 68 -6.536 -2.539 -8.940 1.00 0.99 O ATOM 0 H GLY A 68 -6.940 -3.920 -4.856 1.00 0.62 H new ATOM 0 HA2 GLY A 68 -7.811 -4.377 -7.494 1.00 0.79 H new ATOM 0 HA3 GLY A 68 -7.924 -2.892 -6.570 1.00 0.79 H new ATOM 893 N THR A 69 -4.915 -2.987 -7.460 1.00 0.63 N ATOM 894 CA THR A 69 -3.786 -2.514 -8.288 1.00 0.77 C ATOM 895 C THR A 69 -3.277 -3.595 -9.257 1.00 0.97 C ATOM 896 O THR A 69 -2.321 -3.358 -9.993 1.00 1.18 O ATOM 897 CB THR A 69 -2.649 -1.913 -7.435 1.00 0.72 C ATOM 898 OG1 THR A 69 -1.911 -2.912 -6.782 1.00 0.84 O ATOM 899 CG2 THR A 69 -3.160 -0.912 -6.398 1.00 0.81 C ATOM 0 H THR A 69 -4.621 -3.313 -6.539 1.00 0.63 H new ATOM 0 HA THR A 69 -4.174 -1.704 -8.906 1.00 0.77 H new ATOM 0 HB THR A 69 -2.003 -1.383 -8.135 1.00 0.72 H new ATOM 0 HG1 THR A 69 -2.505 -3.429 -6.198 1.00 0.84 H new ATOM 0 HG21 THR A 69 -2.319 -0.520 -5.826 1.00 0.81 H new ATOM 0 HG22 THR A 69 -3.669 -0.091 -6.904 1.00 0.81 H new ATOM 0 HG23 THR A 69 -3.857 -1.410 -5.724 1.00 0.81 H new ATOM 907 N GLY A 70 -3.918 -4.775 -9.269 1.00 0.95 N ATOM 908 CA GLY A 70 -3.756 -5.832 -10.281 1.00 1.08 C ATOM 909 C GLY A 70 -2.771 -6.935 -9.883 1.00 0.89 C ATOM 910 O GLY A 70 -2.108 -7.512 -10.748 1.00 1.18 O ATOM 0 H GLY A 70 -4.590 -5.029 -8.545 1.00 0.95 H new ATOM 0 HA2 GLY A 70 -4.729 -6.283 -10.479 1.00 1.08 H new ATOM 0 HA3 GLY A 70 -3.419 -5.379 -11.213 1.00 1.08 H new ATOM 914 N ARG A 71 -2.579 -7.134 -8.574 1.00 0.54 N ATOM 915 CA ARG A 71 -1.536 -7.978 -7.977 1.00 0.44 C ATOM 916 C ARG A 71 -1.932 -8.555 -6.622 1.00 0.37 C ATOM 917 O ARG A 71 -2.949 -8.175 -6.038 1.00 0.54 O ATOM 918 CB ARG A 71 -0.244 -7.155 -7.887 1.00 0.68 C ATOM 919 CG ARG A 71 -0.383 -5.852 -7.074 1.00 1.38 C ATOM 920 CD ARG A 71 0.662 -4.806 -7.481 1.00 1.04 C ATOM 921 NE ARG A 71 0.312 -4.212 -8.785 1.00 1.20 N ATOM 922 CZ ARG A 71 0.742 -4.550 -9.988 1.00 1.08 C ATOM 923 NH1 ARG A 71 1.684 -5.425 -10.199 1.00 2.24 N ATOM 924 NH2 ARG A 71 0.172 -4.021 -11.026 1.00 1.34 N ATOM 0 H ARG A 71 -3.172 -6.692 -7.871 1.00 0.54 H new ATOM 0 HA ARG A 71 -1.384 -8.847 -8.618 1.00 0.44 H new ATOM 0 HB2 ARG A 71 0.535 -7.770 -7.437 1.00 0.68 H new ATOM 0 HB3 ARG A 71 0.088 -6.908 -8.895 1.00 0.68 H new ATOM 0 HG2 ARG A 71 -1.382 -5.441 -7.217 1.00 1.38 H new ATOM 0 HG3 ARG A 71 -0.279 -6.074 -6.012 1.00 1.38 H new ATOM 0 HD2 ARG A 71 0.720 -4.026 -6.722 1.00 1.04 H new ATOM 0 HD3 ARG A 71 1.647 -5.269 -7.538 1.00 1.04 H new ATOM 0 HE ARG A 71 -0.350 -3.437 -8.754 1.00 1.20 H new ATOM 0 HH11 ARG A 71 2.133 -5.891 -9.411 1.00 2.24 H new ATOM 0 HH12 ARG A 71 1.973 -5.644 -11.153 1.00 2.24 H new ATOM 0 HH21 ARG A 71 -0.593 -3.357 -10.905 1.00 1.34 H new ATOM 0 HH22 ARG A 71 0.489 -4.269 -11.963 1.00 1.34 H new ATOM 938 N GLN A 72 -1.072 -9.414 -6.090 1.00 0.31 N ATOM 939 CA GLN A 72 -1.093 -9.868 -4.706 1.00 0.34 C ATOM 940 C GLN A 72 -0.387 -8.876 -3.768 1.00 0.34 C ATOM 941 O GLN A 72 0.544 -8.163 -4.154 1.00 0.38 O ATOM 942 CB GLN A 72 -0.488 -11.277 -4.640 1.00 0.47 C ATOM 943 CG GLN A 72 -0.762 -12.039 -3.337 1.00 1.21 C ATOM 944 CD GLN A 72 -2.243 -12.142 -2.987 1.00 2.26 C ATOM 945 OE1 GLN A 72 -3.068 -12.653 -3.738 1.00 3.48 O ATOM 946 NE2 GLN A 72 -2.646 -11.609 -1.858 1.00 2.80 N ATOM 0 H GLN A 72 -0.313 -9.829 -6.631 1.00 0.31 H new ATOM 0 HA GLN A 72 -2.123 -9.914 -4.354 1.00 0.34 H new ATOM 0 HB2 GLN A 72 -0.876 -11.862 -5.474 1.00 0.47 H new ATOM 0 HB3 GLN A 72 0.590 -11.200 -4.779 1.00 0.47 H new ATOM 0 HG2 GLN A 72 -0.347 -13.043 -3.420 1.00 1.21 H new ATOM 0 HG3 GLN A 72 -0.238 -11.543 -2.520 1.00 1.21 H new ATOM 0 HE21 GLN A 72 -1.969 -11.181 -1.226 1.00 2.80 H new ATOM 0 HE22 GLN A 72 -3.636 -11.622 -1.612 1.00 2.80 H new ATOM 955 N ALA A 73 -0.856 -8.883 -2.526 1.00 0.36 N ATOM 956 CA ALA A 73 -0.349 -8.141 -1.370 1.00 0.44 C ATOM 957 C ALA A 73 -0.293 -9.070 -0.140 1.00 0.56 C ATOM 958 O ALA A 73 -1.173 -9.920 0.040 1.00 0.82 O ATOM 959 CB ALA A 73 -1.268 -6.935 -1.121 1.00 0.54 C ATOM 0 H ALA A 73 -1.665 -9.452 -2.278 1.00 0.36 H new ATOM 0 HA ALA A 73 0.662 -7.780 -1.559 1.00 0.44 H new ATOM 0 HB1 ALA A 73 -0.904 -6.371 -0.262 1.00 0.54 H new ATOM 0 HB2 ALA A 73 -1.272 -6.293 -2.002 1.00 0.54 H new ATOM 0 HB3 ALA A 73 -2.281 -7.284 -0.922 1.00 0.54 H new ATOM 965 N VAL A 74 0.723 -8.894 0.703 1.00 0.46 N ATOM 966 CA VAL A 74 0.959 -9.614 1.963 1.00 0.54 C ATOM 967 C VAL A 74 1.538 -8.638 2.976 1.00 0.49 C ATOM 968 O VAL A 74 2.592 -8.047 2.763 1.00 0.51 O ATOM 969 CB VAL A 74 1.939 -10.786 1.780 1.00 0.64 C ATOM 970 CG1 VAL A 74 2.334 -11.448 3.109 1.00 0.70 C ATOM 971 CG2 VAL A 74 1.310 -11.876 0.914 1.00 0.74 C ATOM 0 H VAL A 74 1.451 -8.204 0.517 1.00 0.46 H new ATOM 0 HA VAL A 74 0.009 -10.024 2.307 1.00 0.54 H new ATOM 0 HB VAL A 74 2.826 -10.357 1.313 1.00 0.64 H new ATOM 0 HG11 VAL A 74 3.026 -12.267 2.916 1.00 0.70 H new ATOM 0 HG12 VAL A 74 2.814 -10.712 3.754 1.00 0.70 H new ATOM 0 HG13 VAL A 74 1.442 -11.835 3.602 1.00 0.70 H new ATOM 0 HG21 VAL A 74 2.016 -12.698 0.794 1.00 0.74 H new ATOM 0 HG22 VAL A 74 0.403 -12.244 1.394 1.00 0.74 H new ATOM 0 HG23 VAL A 74 1.062 -11.465 -0.065 1.00 0.74 H new ATOM 981 N LEU A 75 0.854 -8.441 4.090 1.00 0.46 N ATOM 982 CA LEU A 75 1.300 -7.535 5.141 1.00 0.40 C ATOM 983 C LEU A 75 2.444 -8.108 5.974 1.00 0.45 C ATOM 984 O LEU A 75 2.402 -9.254 6.431 1.00 0.57 O ATOM 985 CB LEU A 75 0.109 -7.136 5.994 1.00 0.41 C ATOM 986 CG LEU A 75 0.409 -6.002 6.996 1.00 0.42 C ATOM 987 CD1 LEU A 75 1.278 -4.849 6.498 1.00 1.18 C ATOM 988 CD2 LEU A 75 -0.887 -5.285 7.184 1.00 0.82 C ATOM 0 H LEU A 75 -0.031 -8.906 4.294 1.00 0.46 H new ATOM 0 HA LEU A 75 1.715 -6.643 4.672 1.00 0.40 H new ATOM 0 HB2 LEU A 75 -0.705 -6.824 5.340 1.00 0.41 H new ATOM 0 HB3 LEU A 75 -0.241 -8.010 6.544 1.00 0.41 H new ATOM 0 HG LEU A 75 0.897 -6.496 7.836 1.00 0.42 H new ATOM 0 HD11 LEU A 75 1.412 -4.122 7.299 1.00 1.18 H new ATOM 0 HD12 LEU A 75 2.251 -5.233 6.191 1.00 1.18 H new ATOM 0 HD13 LEU A 75 0.793 -4.368 5.649 1.00 1.18 H new ATOM 0 HD21 LEU A 75 -0.749 -4.463 7.886 1.00 0.82 H new ATOM 0 HD22 LEU A 75 -1.227 -4.891 6.226 1.00 0.82 H new ATOM 0 HD23 LEU A 75 -1.632 -5.977 7.577 1.00 0.82 H new ATOM 1000 N LYS A 76 3.437 -7.255 6.219 1.00 0.41 N ATOM 1001 CA LYS A 76 4.645 -7.584 6.998 1.00 0.46 C ATOM 1002 C LYS A 76 4.684 -6.982 8.407 1.00 0.55 C ATOM 1003 O LYS A 76 5.365 -7.523 9.284 1.00 0.81 O ATOM 1004 CB LYS A 76 5.907 -7.242 6.195 1.00 0.43 C ATOM 1005 CG LYS A 76 6.078 -8.016 4.873 1.00 0.48 C ATOM 1006 CD LYS A 76 5.839 -9.535 4.918 1.00 0.51 C ATOM 1007 CE LYS A 76 6.669 -10.255 5.990 1.00 1.65 C ATOM 1008 NZ LYS A 76 6.305 -11.688 6.058 1.00 2.26 N ATOM 0 H LYS A 76 3.431 -6.294 5.877 1.00 0.41 H new ATOM 0 HA LYS A 76 4.608 -8.660 7.168 1.00 0.46 H new ATOM 0 HB2 LYS A 76 5.898 -6.175 5.973 1.00 0.43 H new ATOM 0 HB3 LYS A 76 6.778 -7.430 6.822 1.00 0.43 H new ATOM 0 HG2 LYS A 76 5.396 -7.587 4.139 1.00 0.48 H new ATOM 0 HG3 LYS A 76 7.090 -7.843 4.507 1.00 0.48 H new ATOM 0 HD2 LYS A 76 4.781 -9.723 5.102 1.00 0.51 H new ATOM 0 HD3 LYS A 76 6.073 -9.961 3.942 1.00 0.51 H new ATOM 0 HE2 LYS A 76 7.730 -10.155 5.764 1.00 1.65 H new ATOM 0 HE3 LYS A 76 6.504 -9.786 6.960 1.00 1.65 H new ATOM 0 HZ1 LYS A 76 6.877 -12.157 6.789 1.00 2.26 H new ATOM 0 HZ2 LYS A 76 5.297 -11.779 6.296 1.00 2.26 H new ATOM 0 HZ3 LYS A 76 6.485 -12.136 5.137 1.00 2.26 H new ATOM 1022 N GLY A 77 3.919 -5.917 8.634 1.00 0.41 N ATOM 1023 CA GLY A 77 3.441 -5.472 9.934 1.00 0.36 C ATOM 1024 C GLY A 77 3.098 -3.983 9.965 1.00 0.42 C ATOM 1025 O GLY A 77 2.990 -3.319 8.931 1.00 0.48 O ATOM 0 H GLY A 77 3.602 -5.313 7.876 1.00 0.41 H new ATOM 0 HA2 GLY A 77 2.557 -6.049 10.207 1.00 0.36 H new ATOM 0 HA3 GLY A 77 4.202 -5.680 10.686 1.00 0.36 H new ATOM 1029 N MET A 78 2.909 -3.482 11.179 1.00 0.61 N ATOM 1030 CA MET A 78 2.607 -2.097 11.505 1.00 0.73 C ATOM 1031 C MET A 78 3.886 -1.397 11.985 1.00 0.92 C ATOM 1032 O MET A 78 4.359 -1.649 13.095 1.00 1.57 O ATOM 1033 CB MET A 78 1.500 -2.059 12.566 1.00 0.87 C ATOM 1034 CG MET A 78 0.184 -2.661 12.056 1.00 0.89 C ATOM 1035 SD MET A 78 0.048 -4.458 12.272 1.00 1.19 S ATOM 1036 CE MET A 78 -1.355 -4.751 11.177 1.00 1.19 C ATOM 0 H MET A 78 2.966 -4.069 12.012 1.00 0.61 H new ATOM 0 HA MET A 78 2.247 -1.565 10.624 1.00 0.73 H new ATOM 0 HB2 MET A 78 1.828 -2.605 13.450 1.00 0.87 H new ATOM 0 HB3 MET A 78 1.330 -1.027 12.874 1.00 0.87 H new ATOM 0 HG2 MET A 78 -0.646 -2.181 12.575 1.00 0.89 H new ATOM 0 HG3 MET A 78 0.077 -2.425 10.997 1.00 0.89 H new ATOM 0 HE1 MET A 78 -1.552 -5.821 11.117 1.00 1.19 H new ATOM 0 HE2 MET A 78 -2.235 -4.241 11.569 1.00 1.19 H new ATOM 0 HE3 MET A 78 -1.127 -4.368 10.182 1.00 1.19 H new ATOM 1046 N GLY A 79 4.467 -0.542 11.146 1.00 0.69 N ATOM 1047 CA GLY A 79 5.789 0.052 11.361 1.00 0.96 C ATOM 1048 C GLY A 79 6.950 -0.949 11.239 1.00 2.43 C ATOM 1049 O GLY A 79 6.749 -2.139 10.981 1.00 4.06 O ATOM 0 H GLY A 79 4.025 -0.235 10.280 1.00 0.69 H new ATOM 0 HA2 GLY A 79 5.937 0.855 10.639 1.00 0.96 H new ATOM 0 HA3 GLY A 79 5.816 0.505 12.352 1.00 0.96 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 5.090 -3.638 -14.180 1.00 1.05 CU