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 130:sc= 0.0928 USER MOD Set 1.2: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot -74:sc= 0.00568 USER MOD Set 2.2: A 54 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 29:sc= 0.468 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 149:sc= -0.955 (180deg=-2.58!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.2) 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 -160:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0191 K(o=-0.019,f=-1.6) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 45 HIS : no HE2:sc= -0.127 K(o=-0.13,f=-0.73) USER MOD Single : A 49 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.92) USER MOD Single : A 50 MET CE :methyl -124:sc= 0 (180deg=-0.06) USER MOD Single : A 55 THR OG1 : rot 40:sc= 1.53 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 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot -35:sc= 1.24 USER MOD Single : A 72 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -10.500 4.673 14.278 1.00 1.82 N ATOM 2 CA GLY A 9 -9.236 4.186 13.741 1.00 0.82 C ATOM 3 C GLY A 9 -8.211 5.317 13.803 1.00 0.76 C ATOM 4 O GLY A 9 -8.537 6.461 13.487 1.00 1.35 O ATOM 0 HA2 GLY A 9 -8.887 3.328 14.315 1.00 0.82 H new ATOM 0 HA3 GLY A 9 -9.367 3.850 12.712 1.00 0.82 H new ATOM 8 N THR A 10 -6.980 5.034 14.220 1.00 0.76 N ATOM 9 CA THR A 10 -5.901 6.022 14.350 1.00 0.60 C ATOM 10 C THR A 10 -4.755 5.749 13.388 1.00 0.45 C ATOM 11 O THR A 10 -4.539 4.625 12.929 1.00 0.46 O ATOM 12 CB THR A 10 -5.418 6.161 15.795 1.00 0.76 C ATOM 13 OG1 THR A 10 -4.637 7.323 15.939 1.00 0.68 O ATOM 14 CG2 THR A 10 -4.564 4.995 16.274 1.00 0.98 C ATOM 0 H THR A 10 -6.693 4.091 14.484 1.00 0.76 H new ATOM 0 HA THR A 10 -6.324 6.986 14.067 1.00 0.60 H new ATOM 0 HB THR A 10 -6.327 6.196 16.395 1.00 0.76 H new ATOM 0 HG1 THR A 10 -4.336 7.401 16.868 1.00 0.68 H new ATOM 0 HG21 THR A 10 -4.260 5.167 17.307 1.00 0.98 H new ATOM 0 HG22 THR A 10 -5.141 4.072 16.214 1.00 0.98 H new ATOM 0 HG23 THR A 10 -3.678 4.910 15.645 1.00 0.98 H new ATOM 22 N LEU A 11 -4.029 6.812 13.073 1.00 0.40 N ATOM 23 CA LEU A 11 -2.970 6.825 12.069 1.00 0.38 C ATOM 24 C LEU A 11 -1.790 5.955 12.525 1.00 0.39 C ATOM 25 O LEU A 11 -1.317 6.064 13.655 1.00 0.46 O ATOM 26 CB LEU A 11 -2.549 8.285 11.813 1.00 0.39 C ATOM 27 CG LEU A 11 -2.083 8.681 10.403 1.00 0.76 C ATOM 28 CD1 LEU A 11 -0.835 7.949 9.929 1.00 2.08 C ATOM 29 CD2 LEU A 11 -3.180 8.487 9.354 1.00 1.10 C ATOM 0 H LEU A 11 -4.163 7.718 13.522 1.00 0.40 H new ATOM 0 HA LEU A 11 -3.331 6.400 11.133 1.00 0.38 H new ATOM 0 HB2 LEU A 11 -3.393 8.923 12.074 1.00 0.39 H new ATOM 0 HB3 LEU A 11 -1.743 8.523 12.507 1.00 0.39 H new ATOM 0 HG LEU A 11 -1.838 9.739 10.500 1.00 0.76 H new ATOM 0 HD11 LEU A 11 -0.574 8.287 8.926 1.00 2.08 H new ATOM 0 HD12 LEU A 11 -0.009 8.159 10.609 1.00 2.08 H new ATOM 0 HD13 LEU A 11 -1.027 6.876 9.912 1.00 2.08 H new ATOM 0 HD21 LEU A 11 -2.803 8.780 8.374 1.00 1.10 H new ATOM 0 HD22 LEU A 11 -3.478 7.439 9.329 1.00 1.10 H new ATOM 0 HD23 LEU A 11 -4.042 9.103 9.610 1.00 1.10 H new ATOM 41 N CYS A 12 -1.342 5.093 11.625 1.00 0.37 N ATOM 42 CA CYS A 12 -0.222 4.158 11.754 1.00 0.41 C ATOM 43 C CYS A 12 0.366 3.871 10.364 1.00 0.32 C ATOM 44 O CYS A 12 -0.324 4.023 9.352 1.00 0.31 O ATOM 45 CB CYS A 12 -0.702 2.850 12.409 1.00 0.58 C ATOM 46 SG CYS A 12 -0.753 3.025 14.216 1.00 1.67 S ATOM 0 H CYS A 12 -1.785 5.019 10.709 1.00 0.37 H new ATOM 0 HA CYS A 12 0.549 4.600 12.385 1.00 0.41 H new ATOM 0 HB2 CYS A 12 -1.692 2.591 12.035 1.00 0.58 H new ATOM 0 HB3 CYS A 12 -0.034 2.033 12.136 1.00 0.58 H new ATOM 0 HG CYS A 12 -0.986 4.266 14.525 1.00 1.67 H new ATOM 52 N THR A 13 1.626 3.436 10.309 1.00 0.32 N ATOM 53 CA THR A 13 2.263 2.968 9.066 1.00 0.25 C ATOM 54 C THR A 13 2.070 1.461 8.918 1.00 0.30 C ATOM 55 O THR A 13 2.569 0.693 9.739 1.00 0.54 O ATOM 56 CB THR A 13 3.758 3.319 9.050 1.00 0.32 C ATOM 57 OG1 THR A 13 3.919 4.716 9.174 1.00 0.45 O ATOM 58 CG2 THR A 13 4.434 2.899 7.748 1.00 0.37 C ATOM 0 H THR A 13 2.239 3.396 11.124 1.00 0.32 H new ATOM 0 HA THR A 13 1.789 3.472 8.224 1.00 0.25 H new ATOM 0 HB THR A 13 4.217 2.784 9.882 1.00 0.32 H new ATOM 0 HG1 THR A 13 3.674 5.150 8.330 1.00 0.45 H new ATOM 0 HG21 THR A 13 5.490 3.168 7.783 1.00 0.37 H new ATOM 0 HG22 THR A 13 4.338 1.821 7.619 1.00 0.37 H new ATOM 0 HG23 THR A 13 3.958 3.408 6.910 1.00 0.37 H new ATOM 66 N LEU A 14 1.387 1.031 7.857 1.00 0.17 N ATOM 67 CA LEU A 14 1.287 -0.372 7.431 1.00 0.19 C ATOM 68 C LEU A 14 2.389 -0.675 6.403 1.00 0.23 C ATOM 69 O LEU A 14 2.509 0.050 5.419 1.00 0.27 O ATOM 70 CB LEU A 14 -0.125 -0.620 6.869 1.00 0.30 C ATOM 71 CG LEU A 14 -1.197 -1.033 7.900 1.00 0.47 C ATOM 72 CD1 LEU A 14 -1.206 -0.242 9.203 1.00 0.87 C ATOM 73 CD2 LEU A 14 -2.594 -0.875 7.298 1.00 1.70 C ATOM 0 H LEU A 14 0.871 1.667 7.249 1.00 0.17 H new ATOM 0 HA LEU A 14 1.437 -1.047 8.273 1.00 0.19 H new ATOM 0 HB2 LEU A 14 -0.461 0.288 6.368 1.00 0.30 H new ATOM 0 HB3 LEU A 14 -0.061 -1.398 6.108 1.00 0.30 H new ATOM 0 HG LEU A 14 -0.936 -2.064 8.140 1.00 0.47 H new ATOM 0 HD11 LEU A 14 -1.998 -0.617 9.851 1.00 0.87 H new ATOM 0 HD12 LEU A 14 -0.244 -0.354 9.703 1.00 0.87 H new ATOM 0 HD13 LEU A 14 -1.382 0.812 8.988 1.00 0.87 H new ATOM 0 HD21 LEU A 14 -3.343 -1.169 8.034 1.00 1.70 H new ATOM 0 HD22 LEU A 14 -2.753 0.166 7.015 1.00 1.70 H new ATOM 0 HD23 LEU A 14 -2.684 -1.509 6.416 1.00 1.70 H new ATOM 85 N GLU A 15 3.179 -1.730 6.627 1.00 0.31 N ATOM 86 CA GLU A 15 4.320 -2.139 5.786 1.00 0.31 C ATOM 87 C GLU A 15 4.016 -3.443 5.020 1.00 0.28 C ATOM 88 O GLU A 15 4.254 -4.547 5.514 1.00 0.36 O ATOM 89 CB GLU A 15 5.590 -2.276 6.656 1.00 0.41 C ATOM 90 CG GLU A 15 6.055 -0.932 7.234 1.00 1.00 C ATOM 91 CD GLU A 15 7.374 -1.056 8.019 1.00 1.08 C ATOM 92 OE1 GLU A 15 7.364 -1.527 9.180 1.00 1.93 O ATOM 93 OE2 GLU A 15 8.451 -0.657 7.508 1.00 1.90 O ATOM 0 H GLU A 15 3.041 -2.348 7.427 1.00 0.31 H new ATOM 0 HA GLU A 15 4.495 -1.366 5.037 1.00 0.31 H new ATOM 0 HB2 GLU A 15 5.394 -2.971 7.473 1.00 0.41 H new ATOM 0 HB3 GLU A 15 6.392 -2.707 6.057 1.00 0.41 H new ATOM 0 HG2 GLU A 15 6.184 -0.216 6.423 1.00 1.00 H new ATOM 0 HG3 GLU A 15 5.281 -0.534 7.890 1.00 1.00 H new ATOM 100 N PHE A 16 3.493 -3.336 3.796 1.00 0.25 N ATOM 101 CA PHE A 16 3.030 -4.490 3.002 1.00 0.25 C ATOM 102 C PHE A 16 4.055 -4.952 1.962 1.00 0.26 C ATOM 103 O PHE A 16 4.695 -4.142 1.302 1.00 0.31 O ATOM 104 CB PHE A 16 1.736 -4.173 2.237 1.00 0.27 C ATOM 105 CG PHE A 16 0.446 -4.110 3.013 1.00 0.24 C ATOM 106 CD1 PHE A 16 0.007 -2.888 3.548 1.00 1.53 C ATOM 107 CD2 PHE A 16 -0.369 -5.256 3.101 1.00 1.47 C ATOM 108 CE1 PHE A 16 -1.264 -2.804 4.139 1.00 1.53 C ATOM 109 CE2 PHE A 16 -1.644 -5.170 3.690 1.00 1.48 C ATOM 110 CZ PHE A 16 -2.093 -3.939 4.198 1.00 0.28 C ATOM 0 H PHE A 16 3.376 -2.442 3.319 1.00 0.25 H new ATOM 0 HA PHE A 16 2.868 -5.279 3.736 1.00 0.25 H new ATOM 0 HB2 PHE A 16 1.871 -3.213 1.738 1.00 0.27 H new ATOM 0 HB3 PHE A 16 1.618 -4.925 1.456 1.00 0.27 H new ATOM 0 HD1 PHE A 16 0.644 -2.017 3.505 1.00 1.53 H new ATOM 0 HD2 PHE A 16 -0.015 -6.201 2.716 1.00 1.47 H new ATOM 0 HE1 PHE A 16 -1.606 -1.865 4.549 1.00 1.53 H new ATOM 0 HE2 PHE A 16 -2.274 -6.045 3.751 1.00 1.48 H new ATOM 0 HZ PHE A 16 -3.078 -3.864 4.635 1.00 0.28 H new ATOM 120 N ALA A 17 4.113 -6.259 1.733 1.00 0.29 N ATOM 121 CA ALA A 17 4.812 -6.900 0.611 1.00 0.31 C ATOM 122 C ALA A 17 3.863 -7.156 -0.580 1.00 0.32 C ATOM 123 O ALA A 17 2.761 -7.673 -0.387 1.00 0.42 O ATOM 124 CB ALA A 17 5.436 -8.206 1.116 1.00 0.35 C ATOM 0 H ALA A 17 3.657 -6.934 2.346 1.00 0.29 H new ATOM 0 HA ALA A 17 5.593 -6.235 0.243 1.00 0.31 H new ATOM 0 HB1 ALA A 17 5.961 -8.699 0.298 1.00 0.35 H new ATOM 0 HB2 ALA A 17 6.140 -7.986 1.918 1.00 0.35 H new ATOM 0 HB3 ALA A 17 4.651 -8.863 1.492 1.00 0.35 H new ATOM 130 N VAL A 18 4.272 -6.847 -1.817 1.00 0.33 N ATOM 131 CA VAL A 18 3.410 -6.909 -3.023 1.00 0.36 C ATOM 132 C VAL A 18 4.109 -7.474 -4.264 1.00 0.42 C ATOM 133 O VAL A 18 5.336 -7.551 -4.347 1.00 0.67 O ATOM 134 CB VAL A 18 2.799 -5.533 -3.354 1.00 0.40 C ATOM 135 CG1 VAL A 18 1.774 -5.055 -2.320 1.00 0.42 C ATOM 136 CG2 VAL A 18 3.880 -4.474 -3.489 1.00 0.46 C ATOM 0 H VAL A 18 5.224 -6.541 -2.020 1.00 0.33 H new ATOM 0 HA VAL A 18 2.617 -7.609 -2.761 1.00 0.36 H new ATOM 0 HB VAL A 18 2.279 -5.671 -4.302 1.00 0.40 H new ATOM 0 HG11 VAL A 18 1.385 -4.081 -2.616 1.00 0.42 H new ATOM 0 HG12 VAL A 18 0.954 -5.771 -2.263 1.00 0.42 H new ATOM 0 HG13 VAL A 18 2.253 -4.973 -1.344 1.00 0.42 H new ATOM 0 HG21 VAL A 18 3.421 -3.513 -3.723 1.00 0.46 H new ATOM 0 HG22 VAL A 18 4.431 -4.395 -2.552 1.00 0.46 H new ATOM 0 HG23 VAL A 18 4.565 -4.753 -4.290 1.00 0.46 H new ATOM 146 N GLN A 19 3.304 -7.845 -5.260 1.00 0.31 N ATOM 147 CA GLN A 19 3.735 -8.383 -6.551 1.00 0.40 C ATOM 148 C GLN A 19 3.855 -7.269 -7.621 1.00 0.36 C ATOM 149 O GLN A 19 2.879 -6.915 -8.290 1.00 0.46 O ATOM 150 CB GLN A 19 2.707 -9.480 -6.887 1.00 0.70 C ATOM 151 CG GLN A 19 2.821 -10.160 -8.256 1.00 1.77 C ATOM 152 CD GLN A 19 1.527 -10.913 -8.542 1.00 2.75 C ATOM 153 OE1 GLN A 19 0.575 -10.351 -9.071 1.00 3.89 O ATOM 154 NE2 GLN A 19 1.410 -12.160 -8.146 1.00 3.13 N ATOM 0 H GLN A 19 2.289 -7.776 -5.186 1.00 0.31 H new ATOM 0 HA GLN A 19 4.738 -8.808 -6.521 1.00 0.40 H new ATOM 0 HB2 GLN A 19 2.776 -10.252 -6.121 1.00 0.70 H new ATOM 0 HB3 GLN A 19 1.711 -9.043 -6.810 1.00 0.70 H new ATOM 0 HG2 GLN A 19 3.004 -9.417 -9.032 1.00 1.77 H new ATOM 0 HG3 GLN A 19 3.667 -10.847 -8.266 1.00 1.77 H new ATOM 0 HE21 GLN A 19 2.200 -12.631 -7.705 1.00 3.13 H new ATOM 0 HE22 GLN A 19 0.529 -12.657 -8.279 1.00 3.13 H new ATOM 163 N MET A 20 5.059 -6.711 -7.799 1.00 0.38 N ATOM 164 CA MET A 20 5.451 -5.888 -8.961 1.00 0.44 C ATOM 165 C MET A 20 6.969 -5.947 -9.254 1.00 0.63 C ATOM 166 O MET A 20 7.765 -6.320 -8.385 1.00 0.88 O ATOM 167 CB MET A 20 4.976 -4.437 -8.771 1.00 0.40 C ATOM 168 CG MET A 20 5.164 -3.908 -7.345 1.00 0.40 C ATOM 169 SD MET A 20 5.051 -2.105 -7.259 1.00 0.62 S ATOM 170 CE MET A 20 4.895 -1.921 -5.474 1.00 0.39 C ATOM 0 H MET A 20 5.813 -6.820 -7.121 1.00 0.38 H new ATOM 0 HA MET A 20 4.957 -6.310 -9.836 1.00 0.44 H new ATOM 0 HB2 MET A 20 5.519 -3.793 -9.462 1.00 0.40 H new ATOM 0 HB3 MET A 20 3.921 -4.372 -9.037 1.00 0.40 H new ATOM 0 HG2 MET A 20 4.408 -4.348 -6.694 1.00 0.40 H new ATOM 0 HG3 MET A 20 6.135 -4.227 -6.967 1.00 0.40 H new ATOM 0 HE1 MET A 20 5.346 -0.978 -5.165 1.00 0.39 H new ATOM 0 HE2 MET A 20 3.840 -1.926 -5.198 1.00 0.39 H new ATOM 0 HE3 MET A 20 5.404 -2.747 -4.977 1.00 0.39 H new ATOM 180 N THR A 21 7.366 -5.583 -10.482 1.00 0.63 N ATOM 181 CA THR A 21 8.739 -5.697 -11.027 1.00 0.86 C ATOM 182 C THR A 21 9.238 -4.523 -11.884 1.00 0.64 C ATOM 183 O THR A 21 10.456 -4.400 -12.056 1.00 0.72 O ATOM 184 CB THR A 21 8.889 -6.953 -11.901 1.00 1.42 C ATOM 185 OG1 THR A 21 7.892 -7.050 -12.889 1.00 3.09 O ATOM 186 CG2 THR A 21 8.814 -8.235 -11.096 1.00 1.20 C ATOM 0 H THR A 21 6.715 -5.183 -11.157 1.00 0.63 H new ATOM 0 HA THR A 21 9.343 -5.726 -10.120 1.00 0.86 H new ATOM 0 HB THR A 21 9.872 -6.841 -12.358 1.00 1.42 H new ATOM 0 HG1 THR A 21 8.033 -7.863 -13.417 1.00 3.09 H new ATOM 0 HG21 THR A 21 8.926 -9.090 -11.763 1.00 1.20 H new ATOM 0 HG22 THR A 21 9.613 -8.246 -10.354 1.00 1.20 H new ATOM 0 HG23 THR A 21 7.850 -8.292 -10.591 1.00 1.20 H new ATOM 194 N CYS A 22 8.358 -3.668 -12.423 1.00 0.52 N ATOM 195 CA CYS A 22 8.730 -2.520 -13.252 1.00 0.52 C ATOM 196 C CYS A 22 8.039 -1.201 -12.817 1.00 0.50 C ATOM 197 O CYS A 22 6.982 -1.203 -12.177 1.00 0.50 O ATOM 198 CB CYS A 22 8.546 -2.916 -14.736 1.00 0.72 C ATOM 199 SG CYS A 22 7.180 -2.103 -15.622 1.00 1.12 S ATOM 0 H CYS A 22 7.351 -3.759 -12.291 1.00 0.52 H new ATOM 0 HA CYS A 22 9.782 -2.276 -13.107 1.00 0.52 H new ATOM 0 HB2 CYS A 22 9.474 -2.700 -15.266 1.00 0.72 H new ATOM 0 HB3 CYS A 22 8.393 -3.994 -14.786 1.00 0.72 H new ATOM 204 N GLN A 23 8.664 -0.072 -13.174 1.00 0.57 N ATOM 205 CA GLN A 23 8.356 1.270 -12.656 1.00 0.64 C ATOM 206 C GLN A 23 6.912 1.757 -12.893 1.00 0.64 C ATOM 207 O GLN A 23 6.390 2.522 -12.078 1.00 0.75 O ATOM 208 CB GLN A 23 9.381 2.281 -13.208 1.00 0.78 C ATOM 209 CG GLN A 23 10.758 2.177 -12.521 1.00 1.33 C ATOM 210 CD GLN A 23 10.735 2.531 -11.031 1.00 1.31 C ATOM 211 OE1 GLN A 23 9.746 3.002 -10.483 1.00 2.09 O ATOM 212 NE2 GLN A 23 11.811 2.321 -10.310 1.00 1.57 N ATOM 0 H GLN A 23 9.424 -0.066 -13.854 1.00 0.57 H new ATOM 0 HA GLN A 23 8.434 1.196 -11.571 1.00 0.64 H new ATOM 0 HB2 GLN A 23 9.502 2.120 -14.279 1.00 0.78 H new ATOM 0 HB3 GLN A 23 8.992 3.291 -13.080 1.00 0.78 H new ATOM 0 HG2 GLN A 23 11.136 1.161 -12.638 1.00 1.33 H new ATOM 0 HG3 GLN A 23 11.459 2.838 -13.031 1.00 1.33 H new ATOM 0 HE21 GLN A 23 12.647 1.930 -10.744 1.00 1.57 H new ATOM 0 HE22 GLN A 23 11.811 2.549 -9.316 1.00 1.57 H new ATOM 221 N SER A 24 6.232 1.277 -13.939 1.00 0.59 N ATOM 222 CA SER A 24 4.841 1.666 -14.229 1.00 0.63 C ATOM 223 C SER A 24 3.824 1.132 -13.211 1.00 0.55 C ATOM 224 O SER A 24 2.812 1.789 -12.964 1.00 0.64 O ATOM 225 CB SER A 24 4.438 1.199 -15.631 1.00 0.75 C ATOM 226 OG SER A 24 5.285 1.783 -16.605 1.00 1.20 O ATOM 0 H SER A 24 6.623 0.612 -14.606 1.00 0.59 H new ATOM 0 HA SER A 24 4.819 2.754 -14.163 1.00 0.63 H new ATOM 0 HB2 SER A 24 4.498 0.112 -15.691 1.00 0.75 H new ATOM 0 HB3 SER A 24 3.402 1.472 -15.829 1.00 0.75 H new ATOM 0 HG SER A 24 5.019 1.476 -17.497 1.00 1.20 H new ATOM 232 N CYS A 25 4.088 -0.024 -12.595 1.00 0.46 N ATOM 233 CA CYS A 25 3.167 -0.684 -11.681 1.00 0.43 C ATOM 234 C CYS A 25 3.237 -0.041 -10.276 1.00 0.39 C ATOM 235 O CYS A 25 2.205 0.238 -9.682 1.00 0.39 O ATOM 236 CB CYS A 25 3.490 -2.184 -11.750 1.00 0.61 C ATOM 237 SG CYS A 25 3.418 -2.883 -13.427 1.00 0.87 S ATOM 0 H CYS A 25 4.964 -0.531 -12.723 1.00 0.46 H new ATOM 0 HA CYS A 25 2.121 -0.557 -11.959 1.00 0.43 H new ATOM 0 HB2 CYS A 25 4.487 -2.349 -11.342 1.00 0.61 H new ATOM 0 HB3 CYS A 25 2.791 -2.725 -11.112 1.00 0.61 H new ATOM 242 N VAL A 26 4.444 0.294 -9.808 1.00 0.50 N ATOM 243 CA VAL A 26 4.759 1.128 -8.625 1.00 0.56 C ATOM 244 C VAL A 26 3.911 2.394 -8.626 1.00 0.49 C ATOM 245 O VAL A 26 3.181 2.662 -7.674 1.00 0.47 O ATOM 246 CB VAL A 26 6.253 1.543 -8.650 1.00 0.68 C ATOM 247 CG1 VAL A 26 6.859 1.679 -7.261 1.00 0.88 C ATOM 248 CG2 VAL A 26 7.150 0.560 -9.375 1.00 0.79 C ATOM 0 H VAL A 26 5.292 -0.029 -10.273 1.00 0.50 H new ATOM 0 HA VAL A 26 4.546 0.541 -7.731 1.00 0.56 H new ATOM 0 HB VAL A 26 6.222 2.500 -9.171 1.00 0.68 H new ATOM 0 HG11 VAL A 26 7.906 1.971 -7.348 1.00 0.88 H new ATOM 0 HG12 VAL A 26 6.315 2.439 -6.700 1.00 0.88 H new ATOM 0 HG13 VAL A 26 6.791 0.724 -6.739 1.00 0.88 H new ATOM 0 HG21 VAL A 26 8.179 0.919 -9.350 1.00 0.79 H new ATOM 0 HG22 VAL A 26 7.093 -0.413 -8.887 1.00 0.79 H new ATOM 0 HG23 VAL A 26 6.824 0.465 -10.411 1.00 0.79 H new ATOM 258 N ASP A 27 3.952 3.129 -9.737 1.00 0.48 N ATOM 259 CA ASP A 27 3.184 4.354 -9.948 1.00 0.50 C ATOM 260 C ASP A 27 1.673 4.097 -10.028 1.00 0.37 C ATOM 261 O ASP A 27 0.882 4.891 -9.522 1.00 0.44 O ATOM 262 CB ASP A 27 3.730 5.043 -11.203 1.00 0.79 C ATOM 263 CG ASP A 27 5.087 5.724 -10.951 1.00 2.49 C ATOM 264 OD1 ASP A 27 5.342 6.201 -9.817 1.00 3.53 O ATOM 265 OD2 ASP A 27 5.924 5.804 -11.882 1.00 3.66 O ATOM 0 H ASP A 27 4.536 2.882 -10.536 1.00 0.48 H new ATOM 0 HA ASP A 27 3.305 5.012 -9.088 1.00 0.50 H new ATOM 0 HB2 ASP A 27 3.837 4.308 -12.001 1.00 0.79 H new ATOM 0 HB3 ASP A 27 3.011 5.786 -11.549 1.00 0.79 H new ATOM 270 N ALA A 28 1.264 2.941 -10.546 1.00 0.31 N ATOM 271 CA ALA A 28 -0.145 2.553 -10.565 1.00 0.36 C ATOM 272 C ALA A 28 -0.667 2.233 -9.156 1.00 0.37 C ATOM 273 O ALA A 28 -1.785 2.635 -8.820 1.00 0.45 O ATOM 274 CB ALA A 28 -0.363 1.381 -11.523 1.00 0.39 C ATOM 0 H ALA A 28 1.892 2.253 -10.961 1.00 0.31 H new ATOM 0 HA ALA A 28 -0.722 3.403 -10.929 1.00 0.36 H new ATOM 0 HB1 ALA A 28 -1.417 1.104 -11.525 1.00 0.39 H new ATOM 0 HB2 ALA A 28 -0.062 1.673 -12.529 1.00 0.39 H new ATOM 0 HB3 ALA A 28 0.235 0.529 -11.198 1.00 0.39 H new ATOM 280 N VAL A 29 0.132 1.585 -8.290 1.00 0.35 N ATOM 281 CA VAL A 29 -0.247 1.405 -6.898 1.00 0.51 C ATOM 282 C VAL A 29 -0.288 2.756 -6.180 1.00 0.63 C ATOM 283 O VAL A 29 -1.289 3.056 -5.532 1.00 0.86 O ATOM 284 CB VAL A 29 0.656 0.395 -6.163 1.00 0.69 C ATOM 285 CG1 VAL A 29 -0.085 -0.072 -4.914 1.00 0.84 C ATOM 286 CG2 VAL A 29 0.970 -0.893 -6.934 1.00 0.73 C ATOM 0 H VAL A 29 1.036 1.184 -8.538 1.00 0.35 H new ATOM 0 HA VAL A 29 -1.249 0.976 -6.884 1.00 0.51 H new ATOM 0 HB VAL A 29 1.592 0.925 -5.989 1.00 0.69 H new ATOM 0 HG11 VAL A 29 0.531 -0.789 -4.372 1.00 0.84 H new ATOM 0 HG12 VAL A 29 -0.293 0.785 -4.273 1.00 0.84 H new ATOM 0 HG13 VAL A 29 -1.023 -0.545 -5.203 1.00 0.84 H new ATOM 0 HG21 VAL A 29 1.611 -1.533 -6.328 1.00 0.73 H new ATOM 0 HG22 VAL A 29 0.042 -1.418 -7.159 1.00 0.73 H new ATOM 0 HG23 VAL A 29 1.481 -0.645 -7.864 1.00 0.73 H new ATOM 296 N ARG A 30 0.728 3.619 -6.359 1.00 0.50 N ATOM 297 CA ARG A 30 0.788 4.962 -5.747 1.00 0.55 C ATOM 298 C ARG A 30 -0.440 5.793 -6.116 1.00 0.71 C ATOM 299 O ARG A 30 -0.967 6.493 -5.259 1.00 0.85 O ATOM 300 CB ARG A 30 2.046 5.714 -6.251 1.00 0.48 C ATOM 301 CG ARG A 30 3.378 5.197 -5.671 1.00 0.37 C ATOM 302 CD ARG A 30 4.564 5.460 -6.614 1.00 0.46 C ATOM 303 NE ARG A 30 5.867 5.298 -5.956 1.00 1.27 N ATOM 304 CZ ARG A 30 7.018 5.143 -6.575 1.00 2.66 C ATOM 305 NH1 ARG A 30 7.142 5.265 -7.863 1.00 3.77 N ATOM 306 NH2 ARG A 30 8.087 4.823 -5.911 1.00 3.44 N ATOM 0 H ARG A 30 1.539 3.403 -6.938 1.00 0.50 H new ATOM 0 HA ARG A 30 0.824 4.830 -4.666 1.00 0.55 H new ATOM 0 HB2 ARG A 30 2.086 5.641 -7.338 1.00 0.48 H new ATOM 0 HB3 ARG A 30 1.944 6.771 -6.006 1.00 0.48 H new ATOM 0 HG2 ARG A 30 3.566 5.679 -4.711 1.00 0.37 H new ATOM 0 HG3 ARG A 30 3.298 4.127 -5.480 1.00 0.37 H new ATOM 0 HD2 ARG A 30 4.504 4.778 -7.463 1.00 0.46 H new ATOM 0 HD3 ARG A 30 4.487 6.472 -7.012 1.00 0.46 H new ATOM 0 HE ARG A 30 5.881 5.306 -4.936 1.00 1.27 H new ATOM 0 HH11 ARG A 30 6.328 5.489 -8.435 1.00 3.77 H new ATOM 0 HH12 ARG A 30 8.054 5.136 -8.302 1.00 3.77 H new ATOM 0 HH21 ARG A 30 8.039 4.690 -4.901 1.00 3.44 H new ATOM 0 HH22 ARG A 30 8.975 4.705 -6.400 1.00 3.44 H new ATOM 320 N LYS A 31 -0.929 5.708 -7.358 1.00 0.73 N ATOM 321 CA LYS A 31 -2.075 6.509 -7.825 1.00 0.82 C ATOM 322 C LYS A 31 -3.446 5.883 -7.571 1.00 0.90 C ATOM 323 O LYS A 31 -4.410 6.634 -7.426 1.00 0.94 O ATOM 324 CB LYS A 31 -1.803 7.034 -9.241 1.00 1.00 C ATOM 325 CG LYS A 31 -0.563 7.943 -9.132 1.00 0.94 C ATOM 326 CD LYS A 31 -0.338 8.895 -10.306 1.00 1.22 C ATOM 327 CE LYS A 31 0.636 9.958 -9.787 1.00 1.23 C ATOM 328 NZ LYS A 31 0.886 11.025 -10.787 1.00 1.73 N ATOM 0 H LYS A 31 -0.546 5.085 -8.069 1.00 0.73 H new ATOM 0 HA LYS A 31 -2.158 7.391 -7.190 1.00 0.82 H new ATOM 0 HB2 LYS A 31 -1.623 6.211 -9.933 1.00 1.00 H new ATOM 0 HB3 LYS A 31 -2.660 7.589 -9.622 1.00 1.00 H new ATOM 0 HG2 LYS A 31 -0.646 8.533 -8.219 1.00 0.94 H new ATOM 0 HG3 LYS A 31 0.319 7.312 -9.024 1.00 0.94 H new ATOM 0 HD2 LYS A 31 0.077 8.368 -11.165 1.00 1.22 H new ATOM 0 HD3 LYS A 31 -1.275 9.346 -10.631 1.00 1.22 H new ATOM 0 HE2 LYS A 31 0.234 10.403 -8.876 1.00 1.23 H new ATOM 0 HE3 LYS A 31 1.581 9.484 -9.520 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 1.550 11.722 -10.393 1.00 1.73 H new ATOM 0 HZ2 LYS A 31 1.294 10.606 -11.647 1.00 1.73 H new ATOM 0 HZ3 LYS A 31 -0.010 11.496 -11.023 1.00 1.73 H new ATOM 342 N SER A 32 -3.527 4.565 -7.363 1.00 0.94 N ATOM 343 CA SER A 32 -4.687 3.948 -6.697 1.00 1.01 C ATOM 344 C SER A 32 -4.769 4.327 -5.203 1.00 0.88 C ATOM 345 O SER A 32 -5.868 4.539 -4.685 1.00 1.06 O ATOM 346 CB SER A 32 -4.666 2.429 -6.862 1.00 1.16 C ATOM 347 OG SER A 32 -5.885 1.891 -6.381 1.00 1.42 O ATOM 0 H SER A 32 -2.805 3.902 -7.645 1.00 0.94 H new ATOM 0 HA SER A 32 -5.580 4.341 -7.184 1.00 1.01 H new ATOM 0 HB2 SER A 32 -4.528 2.167 -7.911 1.00 1.16 H new ATOM 0 HB3 SER A 32 -3.825 2.003 -6.314 1.00 1.16 H new ATOM 0 HG SER A 32 -5.767 0.938 -6.185 1.00 1.42 H new ATOM 353 N LEU A 33 -3.622 4.472 -4.523 1.00 0.70 N ATOM 354 CA LEU A 33 -3.505 4.908 -3.120 1.00 0.66 C ATOM 355 C LEU A 33 -3.770 6.410 -2.913 1.00 0.53 C ATOM 356 O LEU A 33 -4.370 6.804 -1.913 1.00 0.55 O ATOM 357 CB LEU A 33 -2.068 4.606 -2.640 1.00 0.75 C ATOM 358 CG LEU A 33 -1.717 3.129 -2.391 1.00 0.46 C ATOM 359 CD1 LEU A 33 -0.204 2.880 -2.427 1.00 0.72 C ATOM 360 CD2 LEU A 33 -2.160 2.729 -0.995 1.00 0.59 C ATOM 0 H LEU A 33 -2.715 4.282 -4.950 1.00 0.70 H new ATOM 0 HA LEU A 33 -4.263 4.367 -2.554 1.00 0.66 H new ATOM 0 HB2 LEU A 33 -1.372 5.001 -3.381 1.00 0.75 H new ATOM 0 HB3 LEU A 33 -1.896 5.157 -1.715 1.00 0.75 H new ATOM 0 HG LEU A 33 -2.215 2.559 -3.175 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -0.005 1.824 -2.246 1.00 0.72 H new ATOM 0 HD12 LEU A 33 0.188 3.161 -3.405 1.00 0.72 H new ATOM 0 HD13 LEU A 33 0.282 3.478 -1.656 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -1.911 1.682 -0.820 1.00 0.59 H new ATOM 0 HD22 LEU A 33 -1.650 3.351 -0.259 1.00 0.59 H new ATOM 0 HD23 LEU A 33 -3.237 2.866 -0.902 1.00 0.59 H new ATOM 372 N GLN A 34 -3.322 7.252 -3.844 1.00 0.48 N ATOM 373 CA GLN A 34 -3.402 8.705 -3.726 1.00 0.47 C ATOM 374 C GLN A 34 -4.854 9.191 -3.742 1.00 0.48 C ATOM 375 O GLN A 34 -5.678 8.789 -4.570 1.00 0.53 O ATOM 376 CB GLN A 34 -2.536 9.368 -4.812 1.00 0.66 C ATOM 377 CG GLN A 34 -1.127 9.674 -4.279 1.00 0.91 C ATOM 378 CD GLN A 34 -0.171 10.224 -5.335 1.00 0.99 C ATOM 379 OE1 GLN A 34 -0.530 10.519 -6.471 1.00 1.41 O ATOM 380 NE2 GLN A 34 1.080 10.413 -4.987 1.00 1.32 N ATOM 0 H GLN A 34 -2.888 6.938 -4.712 1.00 0.48 H new ATOM 0 HA GLN A 34 -3.000 9.005 -2.758 1.00 0.47 H new ATOM 0 HB2 GLN A 34 -2.466 8.711 -5.679 1.00 0.66 H new ATOM 0 HB3 GLN A 34 -3.010 10.290 -5.148 1.00 0.66 H new ATOM 0 HG2 GLN A 34 -1.206 10.394 -3.464 1.00 0.91 H new ATOM 0 HG3 GLN A 34 -0.703 8.762 -3.859 1.00 0.91 H new ATOM 0 HE21 GLN A 34 1.390 10.172 -4.046 1.00 1.32 H new ATOM 0 HE22 GLN A 34 1.743 10.801 -5.658 1.00 1.32 H new ATOM 389 N GLY A 35 -5.150 10.087 -2.807 1.00 0.54 N ATOM 390 CA GLY A 35 -6.459 10.710 -2.610 1.00 0.65 C ATOM 391 C GLY A 35 -7.510 9.848 -1.895 1.00 0.62 C ATOM 392 O GLY A 35 -8.673 10.262 -1.855 1.00 0.84 O ATOM 0 H GLY A 35 -4.456 10.415 -2.135 1.00 0.54 H new ATOM 0 HA2 GLY A 35 -6.321 11.628 -2.039 1.00 0.65 H new ATOM 0 HA3 GLY A 35 -6.854 10.997 -3.585 1.00 0.65 H new ATOM 396 N VAL A 36 -7.160 8.682 -1.329 1.00 0.49 N ATOM 397 CA VAL A 36 -8.089 7.799 -0.621 1.00 0.56 C ATOM 398 C VAL A 36 -8.394 8.364 0.765 1.00 0.47 C ATOM 399 O VAL A 36 -7.513 8.833 1.493 1.00 0.40 O ATOM 400 CB VAL A 36 -7.551 6.353 -0.560 1.00 0.67 C ATOM 401 CG1 VAL A 36 -8.413 5.423 0.305 1.00 0.92 C ATOM 402 CG2 VAL A 36 -7.507 5.746 -1.969 1.00 0.91 C ATOM 0 H VAL A 36 -6.205 8.324 -1.353 1.00 0.49 H new ATOM 0 HA VAL A 36 -9.026 7.755 -1.176 1.00 0.56 H new ATOM 0 HB VAL A 36 -6.558 6.426 -0.116 1.00 0.67 H new ATOM 0 HG11 VAL A 36 -7.980 4.422 0.306 1.00 0.92 H new ATOM 0 HG12 VAL A 36 -8.448 5.804 1.326 1.00 0.92 H new ATOM 0 HG13 VAL A 36 -9.423 5.381 -0.101 1.00 0.92 H new ATOM 0 HG21 VAL A 36 -7.126 4.726 -1.914 1.00 0.91 H new ATOM 0 HG22 VAL A 36 -8.511 5.736 -2.392 1.00 0.91 H new ATOM 0 HG23 VAL A 36 -6.852 6.344 -2.603 1.00 0.91 H new ATOM 412 N ALA A 37 -9.673 8.310 1.116 1.00 0.60 N ATOM 413 CA ALA A 37 -10.200 8.751 2.405 1.00 0.65 C ATOM 414 C ALA A 37 -9.670 7.865 3.550 1.00 0.58 C ATOM 415 O ALA A 37 -9.941 6.663 3.603 1.00 0.67 O ATOM 416 CB ALA A 37 -11.733 8.760 2.339 1.00 0.86 C ATOM 0 H ALA A 37 -10.395 7.947 0.494 1.00 0.60 H new ATOM 0 HA ALA A 37 -9.857 9.764 2.618 1.00 0.65 H new ATOM 0 HB1 ALA A 37 -12.137 9.088 3.297 1.00 0.86 H new ATOM 0 HB2 ALA A 37 -12.059 9.443 1.555 1.00 0.86 H new ATOM 0 HB3 ALA A 37 -12.094 7.755 2.118 1.00 0.86 H new ATOM 422 N GLY A 38 -8.913 8.465 4.471 1.00 0.51 N ATOM 423 CA GLY A 38 -8.230 7.787 5.578 1.00 0.48 C ATOM 424 C GLY A 38 -6.738 7.531 5.339 1.00 0.38 C ATOM 425 O GLY A 38 -6.082 6.967 6.217 1.00 0.36 O ATOM 0 H GLY A 38 -8.752 9.472 4.468 1.00 0.51 H new ATOM 0 HA2 GLY A 38 -8.343 8.387 6.481 1.00 0.48 H new ATOM 0 HA3 GLY A 38 -8.724 6.834 5.765 1.00 0.48 H new ATOM 429 N VAL A 39 -6.173 7.923 4.189 1.00 0.40 N ATOM 430 CA VAL A 39 -4.726 7.893 3.917 1.00 0.40 C ATOM 431 C VAL A 39 -4.134 9.295 4.096 1.00 0.49 C ATOM 432 O VAL A 39 -4.544 10.239 3.416 1.00 0.83 O ATOM 433 CB VAL A 39 -4.453 7.336 2.505 1.00 0.49 C ATOM 434 CG1 VAL A 39 -2.958 7.343 2.156 1.00 1.76 C ATOM 435 CG2 VAL A 39 -4.948 5.887 2.380 1.00 1.86 C ATOM 0 H VAL A 39 -6.719 8.278 3.404 1.00 0.40 H new ATOM 0 HA VAL A 39 -4.240 7.227 4.629 1.00 0.40 H new ATOM 0 HB VAL A 39 -4.990 7.990 1.818 1.00 0.49 H new ATOM 0 HG11 VAL A 39 -2.817 6.942 1.152 1.00 1.76 H new ATOM 0 HG12 VAL A 39 -2.580 8.365 2.195 1.00 1.76 H new ATOM 0 HG13 VAL A 39 -2.414 6.728 2.873 1.00 1.76 H new ATOM 0 HG21 VAL A 39 -4.743 5.518 1.375 1.00 1.86 H new ATOM 0 HG22 VAL A 39 -4.431 5.262 3.108 1.00 1.86 H new ATOM 0 HG23 VAL A 39 -6.021 5.852 2.568 1.00 1.86 H new ATOM 445 N GLN A 40 -3.142 9.424 4.982 1.00 0.41 N ATOM 446 CA GLN A 40 -2.305 10.624 5.095 1.00 0.42 C ATOM 447 C GLN A 40 -1.302 10.685 3.946 1.00 0.54 C ATOM 448 O GLN A 40 -1.258 11.678 3.222 1.00 0.77 O ATOM 449 CB GLN A 40 -1.533 10.625 6.429 1.00 0.54 C ATOM 450 CG GLN A 40 -2.323 11.265 7.574 1.00 0.79 C ATOM 451 CD GLN A 40 -2.345 12.788 7.559 1.00 1.58 C ATOM 452 OE1 GLN A 40 -1.603 13.465 6.854 1.00 2.76 O ATOM 453 NE2 GLN A 40 -3.189 13.367 8.375 1.00 1.62 N ATOM 0 H GLN A 40 -2.894 8.692 5.648 1.00 0.41 H new ATOM 0 HA GLN A 40 -2.962 11.493 5.055 1.00 0.42 H new ATOM 0 HB2 GLN A 40 -1.280 9.599 6.698 1.00 0.54 H new ATOM 0 HB3 GLN A 40 -0.593 11.161 6.299 1.00 0.54 H new ATOM 0 HG2 GLN A 40 -3.349 10.900 7.538 1.00 0.79 H new ATOM 0 HG3 GLN A 40 -1.899 10.931 8.521 1.00 0.79 H new ATOM 0 HE21 GLN A 40 -3.804 12.800 8.959 1.00 1.62 H new ATOM 0 HE22 GLN A 40 -3.232 14.385 8.427 1.00 1.62 H new ATOM 462 N ASP A 41 -0.496 9.629 3.808 1.00 0.48 N ATOM 463 CA ASP A 41 0.712 9.559 2.988 1.00 0.51 C ATOM 464 C ASP A 41 1.056 8.099 2.649 1.00 0.35 C ATOM 465 O ASP A 41 0.544 7.147 3.242 1.00 0.28 O ATOM 466 CB ASP A 41 1.892 10.184 3.761 1.00 0.59 C ATOM 467 CG ASP A 41 1.897 11.713 3.713 1.00 0.94 C ATOM 468 OD1 ASP A 41 2.032 12.267 2.595 1.00 1.99 O ATOM 469 OD2 ASP A 41 1.784 12.367 4.779 1.00 1.64 O ATOM 0 H ASP A 41 -0.681 8.751 4.294 1.00 0.48 H new ATOM 0 HA ASP A 41 0.534 10.105 2.062 1.00 0.51 H new ATOM 0 HB2 ASP A 41 1.851 9.859 4.801 1.00 0.59 H new ATOM 0 HB3 ASP A 41 2.829 9.810 3.347 1.00 0.59 H new ATOM 474 N VAL A 42 1.982 7.929 1.713 1.00 0.34 N ATOM 475 CA VAL A 42 2.502 6.639 1.239 1.00 0.30 C ATOM 476 C VAL A 42 3.991 6.729 0.907 1.00 0.31 C ATOM 477 O VAL A 42 4.515 7.815 0.669 1.00 0.36 O ATOM 478 CB VAL A 42 1.733 6.142 0.001 1.00 0.42 C ATOM 479 CG1 VAL A 42 0.291 5.781 0.359 1.00 0.84 C ATOM 480 CG2 VAL A 42 1.709 7.133 -1.171 1.00 0.55 C ATOM 0 H VAL A 42 2.415 8.720 1.237 1.00 0.34 H new ATOM 0 HA VAL A 42 2.361 5.925 2.051 1.00 0.30 H new ATOM 0 HB VAL A 42 2.285 5.262 -0.329 1.00 0.42 H new ATOM 0 HG11 VAL A 42 -0.229 5.433 -0.533 1.00 0.84 H new ATOM 0 HG12 VAL A 42 0.289 4.992 1.111 1.00 0.84 H new ATOM 0 HG13 VAL A 42 -0.217 6.660 0.755 1.00 0.84 H new ATOM 0 HG21 VAL A 42 1.147 6.703 -2.000 1.00 0.55 H new ATOM 0 HG22 VAL A 42 1.233 8.061 -0.853 1.00 0.55 H new ATOM 0 HG23 VAL A 42 2.729 7.340 -1.493 1.00 0.55 H new ATOM 490 N GLU A 43 4.682 5.594 0.874 1.00 0.31 N ATOM 491 CA GLU A 43 6.064 5.486 0.392 1.00 0.38 C ATOM 492 C GLU A 43 6.252 4.087 -0.223 1.00 0.42 C ATOM 493 O GLU A 43 6.040 3.077 0.441 1.00 0.57 O ATOM 494 CB GLU A 43 7.020 5.794 1.564 1.00 0.47 C ATOM 495 CG GLU A 43 8.505 5.791 1.195 1.00 0.67 C ATOM 496 CD GLU A 43 9.399 6.093 2.411 1.00 1.84 C ATOM 497 OE1 GLU A 43 9.181 5.526 3.512 1.00 3.41 O ATOM 498 OE2 GLU A 43 10.321 6.933 2.290 1.00 2.26 O ATOM 0 H GLU A 43 4.294 4.704 1.186 1.00 0.31 H new ATOM 0 HA GLU A 43 6.292 6.209 -0.391 1.00 0.38 H new ATOM 0 HB2 GLU A 43 6.764 6.770 1.977 1.00 0.47 H new ATOM 0 HB3 GLU A 43 6.854 5.060 2.353 1.00 0.47 H new ATOM 0 HG2 GLU A 43 8.774 4.820 0.779 1.00 0.67 H new ATOM 0 HG3 GLU A 43 8.687 6.533 0.417 1.00 0.67 H new ATOM 505 N VAL A 44 6.573 3.997 -1.515 1.00 0.32 N ATOM 506 CA VAL A 44 6.544 2.738 -2.283 1.00 0.34 C ATOM 507 C VAL A 44 7.935 2.371 -2.765 1.00 0.50 C ATOM 508 O VAL A 44 8.613 3.147 -3.435 1.00 0.75 O ATOM 509 CB VAL A 44 5.530 2.794 -3.430 1.00 0.58 C ATOM 510 CG1 VAL A 44 5.405 1.439 -4.126 1.00 1.67 C ATOM 511 CG2 VAL A 44 4.153 3.162 -2.887 1.00 2.18 C ATOM 0 H VAL A 44 6.865 4.802 -2.069 1.00 0.32 H new ATOM 0 HA VAL A 44 6.208 1.945 -1.615 1.00 0.34 H new ATOM 0 HB VAL A 44 5.883 3.541 -4.141 1.00 0.58 H new ATOM 0 HG11 VAL A 44 4.678 1.511 -4.935 1.00 1.67 H new ATOM 0 HG12 VAL A 44 6.373 1.148 -4.533 1.00 1.67 H new ATOM 0 HG13 VAL A 44 5.074 0.690 -3.407 1.00 1.67 H new ATOM 0 HG21 VAL A 44 3.437 3.200 -3.708 1.00 2.18 H new ATOM 0 HG22 VAL A 44 3.835 2.412 -2.162 1.00 2.18 H new ATOM 0 HG23 VAL A 44 4.202 4.137 -2.402 1.00 2.18 H new ATOM 521 N HIS A 45 8.321 1.150 -2.416 1.00 0.48 N ATOM 522 CA HIS A 45 9.673 0.616 -2.501 1.00 0.42 C ATOM 523 C HIS A 45 9.704 -0.574 -3.453 1.00 0.37 C ATOM 524 O HIS A 45 9.619 -1.728 -3.032 1.00 0.38 O ATOM 525 CB HIS A 45 10.113 0.216 -1.088 1.00 0.55 C ATOM 526 CG HIS A 45 10.672 1.358 -0.292 1.00 0.54 C ATOM 527 ND1 HIS A 45 12.007 1.593 -0.063 1.00 0.66 N ATOM 528 CD2 HIS A 45 9.969 2.356 0.324 1.00 0.62 C ATOM 529 CE1 HIS A 45 12.118 2.721 0.652 1.00 0.80 C ATOM 530 NE2 HIS A 45 10.898 3.233 0.900 1.00 0.81 N ATOM 0 H HIS A 45 7.660 0.467 -2.045 1.00 0.48 H new ATOM 0 HA HIS A 45 10.361 1.364 -2.895 1.00 0.42 H new ATOM 0 HB2 HIS A 45 9.260 -0.205 -0.556 1.00 0.55 H new ATOM 0 HB3 HIS A 45 10.865 -0.570 -1.159 1.00 0.55 H new ATOM 0 HD1 HIS A 45 12.780 1.009 -0.382 1.00 0.66 H new ATOM 0 HD2 HIS A 45 8.894 2.451 0.360 1.00 0.62 H new ATOM 0 HE1 HIS A 45 13.050 3.156 0.981 1.00 0.80 H new ATOM 538 N LEU A 46 9.857 -0.306 -4.748 1.00 0.37 N ATOM 539 CA LEU A 46 10.011 -1.354 -5.763 1.00 0.37 C ATOM 540 C LEU A 46 11.239 -2.237 -5.477 1.00 0.32 C ATOM 541 O LEU A 46 11.228 -3.444 -5.716 1.00 0.40 O ATOM 542 CB LEU A 46 10.108 -0.642 -7.122 1.00 0.50 C ATOM 543 CG LEU A 46 9.944 -1.482 -8.406 1.00 0.69 C ATOM 544 CD1 LEU A 46 11.281 -2.013 -8.897 1.00 1.37 C ATOM 545 CD2 LEU A 46 8.950 -2.642 -8.291 1.00 1.18 C ATOM 0 H LEU A 46 9.878 0.641 -5.126 1.00 0.37 H new ATOM 0 HA LEU A 46 9.159 -2.034 -5.756 1.00 0.37 H new ATOM 0 HB2 LEU A 46 9.351 0.142 -7.140 1.00 0.50 H new ATOM 0 HB3 LEU A 46 11.079 -0.149 -7.170 1.00 0.50 H new ATOM 0 HG LEU A 46 9.526 -0.784 -9.131 1.00 0.69 H new ATOM 0 HD11 LEU A 46 11.129 -2.600 -9.803 1.00 1.37 H new ATOM 0 HD12 LEU A 46 11.947 -1.178 -9.114 1.00 1.37 H new ATOM 0 HD13 LEU A 46 11.727 -2.643 -8.127 1.00 1.37 H new ATOM 0 HD21 LEU A 46 8.901 -3.175 -9.241 1.00 1.18 H new ATOM 0 HD22 LEU A 46 9.278 -3.326 -7.508 1.00 1.18 H new ATOM 0 HD23 LEU A 46 7.963 -2.252 -8.042 1.00 1.18 H new ATOM 557 N GLU A 47 12.260 -1.638 -4.866 1.00 0.34 N ATOM 558 CA GLU A 47 13.528 -2.293 -4.501 1.00 0.43 C ATOM 559 C GLU A 47 13.384 -3.340 -3.377 1.00 0.46 C ATOM 560 O GLU A 47 14.128 -4.320 -3.378 1.00 0.71 O ATOM 561 CB GLU A 47 14.565 -1.215 -4.138 1.00 0.61 C ATOM 562 CG GLU A 47 15.009 -0.395 -5.363 1.00 0.91 C ATOM 563 CD GLU A 47 15.775 0.879 -4.980 1.00 1.80 C ATOM 564 OE1 GLU A 47 15.223 1.739 -4.249 1.00 3.24 O ATOM 565 OE2 GLU A 47 16.951 1.056 -5.375 1.00 2.09 O ATOM 0 H GLU A 47 12.233 -0.654 -4.601 1.00 0.34 H new ATOM 0 HA GLU A 47 13.868 -2.858 -5.369 1.00 0.43 H new ATOM 0 HB2 GLU A 47 14.142 -0.545 -3.389 1.00 0.61 H new ATOM 0 HB3 GLU A 47 15.436 -1.690 -3.686 1.00 0.61 H new ATOM 0 HG2 GLU A 47 15.640 -1.015 -6.000 1.00 0.91 H new ATOM 0 HG3 GLU A 47 14.132 -0.123 -5.950 1.00 0.91 H new ATOM 572 N ASP A 48 12.409 -3.201 -2.468 1.00 0.39 N ATOM 573 CA ASP A 48 12.020 -4.252 -1.500 1.00 0.38 C ATOM 574 C ASP A 48 10.726 -4.987 -1.907 1.00 0.33 C ATOM 575 O ASP A 48 10.245 -5.861 -1.179 1.00 0.39 O ATOM 576 CB ASP A 48 11.851 -3.656 -0.083 1.00 0.46 C ATOM 577 CG ASP A 48 12.475 -4.519 1.023 1.00 1.11 C ATOM 578 OD1 ASP A 48 13.650 -4.933 0.891 1.00 1.96 O ATOM 579 OD2 ASP A 48 11.805 -4.782 2.053 1.00 2.05 O ATOM 0 H ASP A 48 11.858 -2.347 -2.378 1.00 0.39 H new ATOM 0 HA ASP A 48 12.829 -4.982 -1.499 1.00 0.38 H new ATOM 0 HB2 ASP A 48 12.303 -2.665 -0.058 1.00 0.46 H new ATOM 0 HB3 ASP A 48 10.789 -3.527 0.124 1.00 0.46 H new ATOM 584 N GLN A 49 10.114 -4.572 -3.023 1.00 0.29 N ATOM 585 CA GLN A 49 8.724 -4.839 -3.414 1.00 0.27 C ATOM 586 C GLN A 49 7.739 -4.574 -2.260 1.00 0.26 C ATOM 587 O GLN A 49 6.835 -5.372 -1.992 1.00 0.34 O ATOM 588 CB GLN A 49 8.560 -6.224 -4.053 1.00 0.32 C ATOM 589 CG GLN A 49 9.570 -6.551 -5.166 1.00 0.40 C ATOM 590 CD GLN A 49 10.971 -6.878 -4.652 1.00 1.61 C ATOM 591 OE1 GLN A 49 11.166 -7.789 -3.854 1.00 1.94 O ATOM 592 NE2 GLN A 49 11.981 -6.137 -5.051 1.00 2.79 N ATOM 0 H GLN A 49 10.604 -4.008 -3.718 1.00 0.29 H new ATOM 0 HA GLN A 49 8.463 -4.124 -4.194 1.00 0.27 H new ATOM 0 HB2 GLN A 49 8.645 -6.980 -3.272 1.00 0.32 H new ATOM 0 HB3 GLN A 49 7.553 -6.301 -4.463 1.00 0.32 H new ATOM 0 HG2 GLN A 49 9.198 -7.398 -5.743 1.00 0.40 H new ATOM 0 HG3 GLN A 49 9.632 -5.703 -5.848 1.00 0.40 H new ATOM 0 HE21 GLN A 49 11.826 -5.378 -5.714 1.00 2.79 H new ATOM 0 HE22 GLN A 49 12.920 -6.321 -4.697 1.00 2.79 H new ATOM 601 N MET A 50 7.973 -3.484 -1.526 1.00 0.27 N ATOM 602 CA MET A 50 7.224 -3.094 -0.334 1.00 0.25 C ATOM 603 C MET A 50 6.401 -1.818 -0.565 1.00 0.25 C ATOM 604 O MET A 50 6.744 -0.972 -1.392 1.00 0.33 O ATOM 605 CB MET A 50 8.186 -2.974 0.861 1.00 0.35 C ATOM 606 CG MET A 50 7.530 -2.503 2.169 1.00 0.41 C ATOM 607 SD MET A 50 8.416 -2.944 3.681 1.00 0.97 S ATOM 608 CE MET A 50 7.965 -4.700 3.769 1.00 0.77 C ATOM 0 H MET A 50 8.717 -2.826 -1.756 1.00 0.27 H new ATOM 0 HA MET A 50 6.495 -3.871 -0.104 1.00 0.25 H new ATOM 0 HB2 MET A 50 8.653 -3.944 1.033 1.00 0.35 H new ATOM 0 HB3 MET A 50 8.984 -2.279 0.600 1.00 0.35 H new ATOM 0 HG2 MET A 50 7.424 -1.419 2.133 1.00 0.41 H new ATOM 0 HG3 MET A 50 6.524 -2.920 2.222 1.00 0.41 H new ATOM 0 HE1 MET A 50 7.494 -4.907 4.730 1.00 0.77 H new ATOM 0 HE2 MET A 50 7.268 -4.937 2.965 1.00 0.77 H new ATOM 0 HE3 MET A 50 8.861 -5.312 3.665 1.00 0.77 H new ATOM 618 N VAL A 51 5.322 -1.659 0.197 1.00 0.24 N ATOM 619 CA VAL A 51 4.441 -0.491 0.182 1.00 0.30 C ATOM 620 C VAL A 51 4.208 -0.036 1.620 1.00 0.24 C ATOM 621 O VAL A 51 3.697 -0.807 2.433 1.00 0.29 O ATOM 622 CB VAL A 51 3.088 -0.809 -0.491 1.00 0.43 C ATOM 623 CG1 VAL A 51 2.523 0.468 -1.095 1.00 0.66 C ATOM 624 CG2 VAL A 51 3.165 -1.825 -1.630 1.00 0.78 C ATOM 0 H VAL A 51 5.025 -2.367 0.868 1.00 0.24 H new ATOM 0 HA VAL A 51 4.919 0.300 -0.397 1.00 0.30 H new ATOM 0 HB VAL A 51 2.468 -1.234 0.298 1.00 0.43 H new ATOM 0 HG11 VAL A 51 1.567 0.253 -1.573 1.00 0.66 H new ATOM 0 HG12 VAL A 51 2.377 1.209 -0.309 1.00 0.66 H new ATOM 0 HG13 VAL A 51 3.219 0.859 -1.837 1.00 0.66 H new ATOM 0 HG21 VAL A 51 2.169 -1.986 -2.042 1.00 0.78 H new ATOM 0 HG22 VAL A 51 3.824 -1.446 -2.411 1.00 0.78 H new ATOM 0 HG23 VAL A 51 3.557 -2.768 -1.250 1.00 0.78 H new ATOM 634 N LEU A 52 4.569 1.207 1.933 1.00 0.27 N ATOM 635 CA LEU A 52 4.214 1.870 3.182 1.00 0.25 C ATOM 636 C LEU A 52 2.965 2.714 2.963 1.00 0.22 C ATOM 637 O LEU A 52 2.887 3.492 2.010 1.00 0.23 O ATOM 638 CB LEU A 52 5.348 2.753 3.723 1.00 0.29 C ATOM 639 CG LEU A 52 6.652 2.006 4.082 1.00 0.40 C ATOM 640 CD1 LEU A 52 7.602 1.819 2.897 1.00 1.01 C ATOM 641 CD2 LEU A 52 7.425 2.788 5.143 1.00 0.92 C ATOM 0 H LEU A 52 5.128 1.792 1.311 1.00 0.27 H new ATOM 0 HA LEU A 52 4.028 1.096 3.926 1.00 0.25 H new ATOM 0 HB2 LEU A 52 5.579 3.516 2.979 1.00 0.29 H new ATOM 0 HB3 LEU A 52 4.990 3.272 4.612 1.00 0.29 H new ATOM 0 HG LEU A 52 6.334 1.024 4.433 1.00 0.40 H new ATOM 0 HD11 LEU A 52 8.494 1.287 3.227 1.00 1.01 H new ATOM 0 HD12 LEU A 52 7.103 1.243 2.118 1.00 1.01 H new ATOM 0 HD13 LEU A 52 7.886 2.794 2.501 1.00 1.01 H new ATOM 0 HD21 LEU A 52 8.343 2.255 5.391 1.00 0.92 H new ATOM 0 HD22 LEU A 52 7.672 3.777 4.758 1.00 0.92 H new ATOM 0 HD23 LEU A 52 6.812 2.890 6.038 1.00 0.92 H new ATOM 653 N VAL A 53 2.002 2.572 3.867 1.00 0.19 N ATOM 654 CA VAL A 53 0.722 3.273 3.825 1.00 0.18 C ATOM 655 C VAL A 53 0.443 3.850 5.211 1.00 0.16 C ATOM 656 O VAL A 53 0.151 3.120 6.156 1.00 0.16 O ATOM 657 CB VAL A 53 -0.399 2.342 3.317 1.00 0.19 C ATOM 658 CG1 VAL A 53 -1.701 3.128 3.127 1.00 0.20 C ATOM 659 CG2 VAL A 53 -0.062 1.684 1.969 1.00 0.23 C ATOM 0 H VAL A 53 2.091 1.950 4.671 1.00 0.19 H new ATOM 0 HA VAL A 53 0.760 4.099 3.114 1.00 0.18 H new ATOM 0 HB VAL A 53 -0.507 1.566 4.075 1.00 0.19 H new ATOM 0 HG11 VAL A 53 -2.482 2.457 2.768 1.00 0.20 H new ATOM 0 HG12 VAL A 53 -2.005 3.563 4.079 1.00 0.20 H new ATOM 0 HG13 VAL A 53 -1.543 3.923 2.398 1.00 0.20 H new ATOM 0 HG21 VAL A 53 -0.887 1.041 1.662 1.00 0.23 H new ATOM 0 HG22 VAL A 53 0.095 2.457 1.216 1.00 0.23 H new ATOM 0 HG23 VAL A 53 0.845 1.088 2.072 1.00 0.23 H new ATOM 669 N HIS A 54 0.573 5.168 5.328 1.00 0.17 N ATOM 670 CA HIS A 54 0.269 5.954 6.525 1.00 0.17 C ATOM 671 C HIS A 54 -1.252 6.207 6.588 1.00 0.21 C ATOM 672 O HIS A 54 -1.771 7.076 5.882 1.00 0.26 O ATOM 673 CB HIS A 54 1.076 7.267 6.460 1.00 0.27 C ATOM 674 CG HIS A 54 2.573 7.103 6.343 1.00 0.30 C ATOM 675 ND1 HIS A 54 3.486 7.437 7.312 1.00 0.47 N ATOM 676 CD2 HIS A 54 3.289 6.662 5.260 1.00 0.28 C ATOM 677 CE1 HIS A 54 4.716 7.188 6.842 1.00 0.54 C ATOM 678 NE2 HIS A 54 4.652 6.727 5.578 1.00 0.41 N ATOM 0 H HIS A 54 0.908 5.746 4.557 1.00 0.17 H new ATOM 0 HA HIS A 54 0.552 5.423 7.434 1.00 0.17 H new ATOM 0 HB2 HIS A 54 0.724 7.848 5.608 1.00 0.27 H new ATOM 0 HB3 HIS A 54 0.860 7.851 7.355 1.00 0.27 H new ATOM 0 HD2 HIS A 54 2.874 6.323 4.323 1.00 0.28 H new ATOM 0 HE1 HIS A 54 5.630 7.336 7.398 1.00 0.54 H new ATOM 0 HE2 HIS A 54 5.436 6.476 4.975 1.00 0.41 H new ATOM 686 N THR A 55 -1.998 5.422 7.375 1.00 0.21 N ATOM 687 CA THR A 55 -3.474 5.378 7.284 1.00 0.26 C ATOM 688 C THR A 55 -4.193 5.007 8.588 1.00 0.28 C ATOM 689 O THR A 55 -3.655 4.284 9.429 1.00 0.31 O ATOM 690 CB THR A 55 -3.893 4.411 6.164 1.00 0.28 C ATOM 691 OG1 THR A 55 -5.285 4.426 5.983 1.00 0.33 O ATOM 692 CG2 THR A 55 -3.514 2.950 6.406 1.00 0.29 C ATOM 0 H THR A 55 -1.608 4.804 8.087 1.00 0.21 H new ATOM 0 HA THR A 55 -3.786 6.399 7.062 1.00 0.26 H new ATOM 0 HB THR A 55 -3.350 4.775 5.292 1.00 0.28 H new ATOM 0 HG1 THR A 55 -5.616 5.345 6.064 1.00 0.33 H new ATOM 0 HG21 THR A 55 -3.849 2.343 5.565 1.00 0.29 H new ATOM 0 HG22 THR A 55 -2.432 2.866 6.505 1.00 0.29 H new ATOM 0 HG23 THR A 55 -3.990 2.597 7.321 1.00 0.29 H new ATOM 700 N THR A 56 -5.441 5.469 8.739 1.00 0.29 N ATOM 701 CA THR A 56 -6.362 5.078 9.829 1.00 0.29 C ATOM 702 C THR A 56 -7.236 3.858 9.495 1.00 0.30 C ATOM 703 O THR A 56 -7.985 3.383 10.350 1.00 0.41 O ATOM 704 CB THR A 56 -7.256 6.249 10.281 1.00 0.36 C ATOM 705 OG1 THR A 56 -8.288 6.513 9.357 1.00 0.49 O ATOM 706 CG2 THR A 56 -6.497 7.560 10.471 1.00 0.42 C ATOM 0 H THR A 56 -5.854 6.142 8.094 1.00 0.29 H new ATOM 0 HA THR A 56 -5.707 4.791 10.652 1.00 0.29 H new ATOM 0 HB THR A 56 -7.657 5.917 11.238 1.00 0.36 H new ATOM 0 HG1 THR A 56 -8.833 7.260 9.680 1.00 0.49 H new ATOM 0 HG21 THR A 56 -7.190 8.339 10.789 1.00 0.42 H new ATOM 0 HG22 THR A 56 -5.726 7.428 11.230 1.00 0.42 H new ATOM 0 HG23 THR A 56 -6.032 7.851 9.529 1.00 0.42 H new ATOM 714 N LEU A 57 -7.151 3.338 8.263 1.00 0.28 N ATOM 715 CA LEU A 57 -7.915 2.184 7.770 1.00 0.31 C ATOM 716 C LEU A 57 -7.450 0.860 8.416 1.00 0.34 C ATOM 717 O LEU A 57 -6.283 0.770 8.819 1.00 0.40 O ATOM 718 CB LEU A 57 -7.780 2.123 6.233 1.00 0.30 C ATOM 719 CG LEU A 57 -8.337 3.349 5.481 1.00 0.31 C ATOM 720 CD1 LEU A 57 -8.092 3.194 3.980 1.00 0.40 C ATOM 721 CD2 LEU A 57 -9.833 3.529 5.706 1.00 0.41 C ATOM 0 H LEU A 57 -6.525 3.724 7.556 1.00 0.28 H new ATOM 0 HA LEU A 57 -8.961 2.312 8.048 1.00 0.31 H new ATOM 0 HB2 LEU A 57 -6.726 2.008 5.980 1.00 0.30 H new ATOM 0 HB3 LEU A 57 -8.293 1.231 5.873 1.00 0.30 H new ATOM 0 HG LEU A 57 -7.819 4.225 5.871 1.00 0.31 H new ATOM 0 HD11 LEU A 57 -8.488 4.063 3.455 1.00 0.40 H new ATOM 0 HD12 LEU A 57 -7.021 3.113 3.793 1.00 0.40 H new ATOM 0 HD13 LEU A 57 -8.592 2.295 3.621 1.00 0.40 H new ATOM 0 HD21 LEU A 57 -10.181 4.404 5.157 1.00 0.41 H new ATOM 0 HD22 LEU A 57 -10.363 2.645 5.352 1.00 0.41 H new ATOM 0 HD23 LEU A 57 -10.027 3.667 6.770 1.00 0.41 H new ATOM 733 N PRO A 58 -8.301 -0.186 8.487 1.00 0.36 N ATOM 734 CA PRO A 58 -7.902 -1.513 8.957 1.00 0.39 C ATOM 735 C PRO A 58 -7.035 -2.171 7.877 1.00 0.30 C ATOM 736 O PRO A 58 -7.340 -2.045 6.690 1.00 0.28 O ATOM 737 CB PRO A 58 -9.212 -2.297 9.183 1.00 0.50 C ATOM 738 CG PRO A 58 -10.332 -1.272 8.972 1.00 0.54 C ATOM 739 CD PRO A 58 -9.669 -0.299 8.005 1.00 0.42 C ATOM 0 HA PRO A 58 -7.320 -1.481 9.878 1.00 0.39 H new ATOM 0 HB2 PRO A 58 -9.300 -3.127 8.482 1.00 0.50 H new ATOM 0 HB3 PRO A 58 -9.250 -2.721 10.186 1.00 0.50 H new ATOM 0 HG2 PRO A 58 -11.229 -1.725 8.549 1.00 0.54 H new ATOM 0 HG3 PRO A 58 -10.628 -0.789 9.903 1.00 0.54 H new ATOM 0 HD2 PRO A 58 -9.700 -0.673 6.982 1.00 0.42 H new ATOM 0 HD3 PRO A 58 -10.172 0.668 8.007 1.00 0.42 H new ATOM 747 N SER A 59 -5.981 -2.908 8.225 1.00 0.29 N ATOM 748 CA SER A 59 -5.090 -3.511 7.216 1.00 0.27 C ATOM 749 C SER A 59 -5.797 -4.556 6.342 1.00 0.27 C ATOM 750 O SER A 59 -5.424 -4.708 5.181 1.00 0.33 O ATOM 751 CB SER A 59 -3.803 -4.089 7.824 1.00 0.35 C ATOM 752 OG SER A 59 -3.716 -3.864 9.220 1.00 0.72 O ATOM 0 H SER A 59 -5.718 -3.105 9.191 1.00 0.29 H new ATOM 0 HA SER A 59 -4.801 -2.685 6.566 1.00 0.27 H new ATOM 0 HB2 SER A 59 -3.761 -5.160 7.628 1.00 0.35 H new ATOM 0 HB3 SER A 59 -2.939 -3.641 7.332 1.00 0.35 H new ATOM 0 HG SER A 59 -3.506 -4.706 9.675 1.00 0.72 H new ATOM 758 N GLN A 60 -6.876 -5.179 6.835 1.00 0.32 N ATOM 759 CA GLN A 60 -7.804 -5.981 6.019 1.00 0.41 C ATOM 760 C GLN A 60 -8.381 -5.177 4.838 1.00 0.41 C ATOM 761 O GLN A 60 -8.512 -5.698 3.730 1.00 0.56 O ATOM 762 CB GLN A 60 -8.977 -6.456 6.895 1.00 0.50 C ATOM 763 CG GLN A 60 -8.578 -7.455 7.989 1.00 0.80 C ATOM 764 CD GLN A 60 -9.703 -7.688 8.983 1.00 1.81 C ATOM 765 OE1 GLN A 60 -10.850 -7.947 8.636 1.00 3.33 O ATOM 766 NE2 GLN A 60 -9.422 -7.597 10.260 1.00 1.97 N ATOM 0 H GLN A 60 -7.134 -5.141 7.821 1.00 0.32 H new ATOM 0 HA GLN A 60 -7.240 -6.825 5.622 1.00 0.41 H new ATOM 0 HB2 GLN A 60 -9.442 -5.588 7.363 1.00 0.50 H new ATOM 0 HB3 GLN A 60 -9.731 -6.916 6.256 1.00 0.50 H new ATOM 0 HG2 GLN A 60 -8.298 -8.403 7.530 1.00 0.80 H new ATOM 0 HG3 GLN A 60 -7.699 -7.084 8.516 1.00 0.80 H new ATOM 0 HE21 GLN A 60 -8.471 -7.382 10.559 1.00 1.97 H new ATOM 0 HE22 GLN A 60 -10.155 -7.741 10.955 1.00 1.97 H new ATOM 775 N GLU A 61 -8.704 -3.899 5.055 1.00 0.33 N ATOM 776 CA GLU A 61 -9.247 -3.009 4.028 1.00 0.35 C ATOM 777 C GLU A 61 -8.152 -2.594 3.041 1.00 0.34 C ATOM 778 O GLU A 61 -8.340 -2.680 1.831 1.00 0.42 O ATOM 779 CB GLU A 61 -9.898 -1.786 4.704 1.00 0.41 C ATOM 780 CG GLU A 61 -10.822 -1.043 3.745 1.00 0.80 C ATOM 781 CD GLU A 61 -11.682 0.067 4.363 1.00 1.30 C ATOM 782 OE1 GLU A 61 -12.274 -0.118 5.458 1.00 2.19 O ATOM 783 OE2 GLU A 61 -11.872 1.111 3.699 1.00 2.43 O ATOM 0 H GLU A 61 -8.593 -3.448 5.963 1.00 0.33 H new ATOM 0 HA GLU A 61 -10.012 -3.535 3.457 1.00 0.35 H new ATOM 0 HB2 GLU A 61 -10.463 -2.110 5.578 1.00 0.41 H new ATOM 0 HB3 GLU A 61 -9.121 -1.109 5.060 1.00 0.41 H new ATOM 0 HG2 GLU A 61 -10.215 -0.606 2.952 1.00 0.80 H new ATOM 0 HG3 GLU A 61 -11.485 -1.769 3.275 1.00 0.80 H new ATOM 790 N VAL A 62 -6.966 -2.223 3.536 1.00 0.28 N ATOM 791 CA VAL A 62 -5.839 -1.802 2.710 1.00 0.27 C ATOM 792 C VAL A 62 -5.325 -2.957 1.851 1.00 0.26 C ATOM 793 O VAL A 62 -5.046 -2.734 0.681 1.00 0.26 O ATOM 794 CB VAL A 62 -4.707 -1.219 3.574 1.00 0.24 C ATOM 795 CG1 VAL A 62 -3.719 -0.455 2.697 1.00 0.30 C ATOM 796 CG2 VAL A 62 -5.182 -0.238 4.650 1.00 0.30 C ATOM 0 H VAL A 62 -6.764 -2.208 4.536 1.00 0.28 H new ATOM 0 HA VAL A 62 -6.193 -1.016 2.042 1.00 0.27 H new ATOM 0 HB VAL A 62 -4.256 -2.082 4.065 1.00 0.24 H new ATOM 0 HG11 VAL A 62 -2.922 -0.046 3.318 1.00 0.30 H new ATOM 0 HG12 VAL A 62 -3.292 -1.131 1.956 1.00 0.30 H new ATOM 0 HG13 VAL A 62 -4.237 0.359 2.189 1.00 0.30 H new ATOM 0 HG21 VAL A 62 -4.324 0.127 5.214 1.00 0.30 H new ATOM 0 HG22 VAL A 62 -5.689 0.603 4.177 1.00 0.30 H new ATOM 0 HG23 VAL A 62 -5.872 -0.745 5.325 1.00 0.30 H new ATOM 806 N GLN A 63 -5.289 -4.195 2.357 1.00 0.26 N ATOM 807 CA GLN A 63 -5.043 -5.395 1.548 1.00 0.29 C ATOM 808 C GLN A 63 -6.027 -5.482 0.375 1.00 0.33 C ATOM 809 O GLN A 63 -5.582 -5.635 -0.756 1.00 0.36 O ATOM 810 CB GLN A 63 -5.103 -6.635 2.459 1.00 0.29 C ATOM 811 CG GLN A 63 -4.902 -7.959 1.705 1.00 0.39 C ATOM 812 CD GLN A 63 -5.222 -9.162 2.589 1.00 0.55 C ATOM 813 OE1 GLN A 63 -4.446 -9.564 3.445 1.00 1.12 O ATOM 814 NE2 GLN A 63 -6.373 -9.770 2.444 1.00 1.68 N ATOM 0 H GLN A 63 -5.431 -4.394 3.347 1.00 0.26 H new ATOM 0 HA GLN A 63 -4.048 -5.343 1.105 1.00 0.29 H new ATOM 0 HB2 GLN A 63 -4.339 -6.546 3.231 1.00 0.29 H new ATOM 0 HB3 GLN A 63 -6.068 -6.657 2.966 1.00 0.29 H new ATOM 0 HG2 GLN A 63 -5.540 -7.976 0.821 1.00 0.39 H new ATOM 0 HG3 GLN A 63 -3.872 -8.027 1.356 1.00 0.39 H new ATOM 0 HE21 GLN A 63 -7.033 -9.450 1.736 1.00 1.68 H new ATOM 0 HE22 GLN A 63 -6.609 -10.564 3.039 1.00 1.68 H new ATOM 823 N ALA A 64 -7.333 -5.309 0.587 1.00 0.38 N ATOM 824 CA ALA A 64 -8.315 -5.425 -0.490 1.00 0.46 C ATOM 825 C ALA A 64 -8.283 -4.202 -1.433 1.00 0.47 C ATOM 826 O ALA A 64 -8.669 -4.307 -2.603 1.00 0.59 O ATOM 827 CB ALA A 64 -9.699 -5.629 0.137 1.00 0.52 C ATOM 0 H ALA A 64 -7.735 -5.087 1.498 1.00 0.38 H new ATOM 0 HA ALA A 64 -8.070 -6.285 -1.113 1.00 0.46 H new ATOM 0 HB1 ALA A 64 -10.446 -5.718 -0.652 1.00 0.52 H new ATOM 0 HB2 ALA A 64 -9.696 -6.538 0.738 1.00 0.52 H new ATOM 0 HB3 ALA A 64 -9.940 -4.776 0.771 1.00 0.52 H new ATOM 833 N LEU A 65 -7.786 -3.055 -0.952 1.00 0.41 N ATOM 834 CA LEU A 65 -7.513 -1.862 -1.746 1.00 0.44 C ATOM 835 C LEU A 65 -6.275 -2.034 -2.647 1.00 0.42 C ATOM 836 O LEU A 65 -6.331 -1.745 -3.842 1.00 0.55 O ATOM 837 CB LEU A 65 -7.390 -0.641 -0.826 1.00 0.45 C ATOM 838 CG LEU A 65 -8.737 -0.136 -0.270 1.00 0.54 C ATOM 839 CD1 LEU A 65 -8.483 0.885 0.835 1.00 0.57 C ATOM 840 CD2 LEU A 65 -9.581 0.550 -1.345 1.00 0.64 C ATOM 0 H LEU A 65 -7.557 -2.934 0.035 1.00 0.41 H new ATOM 0 HA LEU A 65 -8.354 -1.701 -2.421 1.00 0.44 H new ATOM 0 HB2 LEU A 65 -6.735 -0.892 0.009 1.00 0.45 H new ATOM 0 HB3 LEU A 65 -6.909 0.168 -1.376 1.00 0.45 H new ATOM 0 HG LEU A 65 -9.275 -1.007 0.104 1.00 0.54 H new ATOM 0 HD11 LEU A 65 -9.436 1.241 1.227 1.00 0.57 H new ATOM 0 HD12 LEU A 65 -7.912 0.418 1.638 1.00 0.57 H new ATOM 0 HD13 LEU A 65 -7.920 1.726 0.431 1.00 0.57 H new ATOM 0 HD21 LEU A 65 -10.520 0.889 -0.908 1.00 0.64 H new ATOM 0 HD22 LEU A 65 -9.036 1.406 -1.744 1.00 0.64 H new ATOM 0 HD23 LEU A 65 -9.789 -0.155 -2.150 1.00 0.64 H new ATOM 852 N LEU A 66 -5.180 -2.561 -2.094 1.00 0.29 N ATOM 853 CA LEU A 66 -3.946 -2.931 -2.799 1.00 0.30 C ATOM 854 C LEU A 66 -4.216 -4.028 -3.841 1.00 0.33 C ATOM 855 O LEU A 66 -3.781 -3.918 -4.985 1.00 0.40 O ATOM 856 CB LEU A 66 -2.906 -3.400 -1.758 1.00 0.29 C ATOM 857 CG LEU A 66 -2.342 -2.277 -0.862 1.00 0.28 C ATOM 858 CD1 LEU A 66 -1.783 -2.853 0.443 1.00 0.29 C ATOM 859 CD2 LEU A 66 -1.225 -1.510 -1.573 1.00 0.32 C ATOM 0 H LEU A 66 -5.125 -2.751 -1.093 1.00 0.29 H new ATOM 0 HA LEU A 66 -3.559 -2.066 -3.337 1.00 0.30 H new ATOM 0 HB2 LEU A 66 -3.364 -4.158 -1.123 1.00 0.29 H new ATOM 0 HB3 LEU A 66 -2.079 -3.880 -2.281 1.00 0.29 H new ATOM 0 HG LEU A 66 -3.165 -1.597 -0.644 1.00 0.28 H new ATOM 0 HD11 LEU A 66 -1.391 -2.044 1.059 1.00 0.29 H new ATOM 0 HD12 LEU A 66 -2.577 -3.368 0.983 1.00 0.29 H new ATOM 0 HD13 LEU A 66 -0.983 -3.557 0.216 1.00 0.29 H new ATOM 0 HD21 LEU A 66 -0.848 -0.726 -0.917 1.00 0.32 H new ATOM 0 HD22 LEU A 66 -0.415 -2.195 -1.823 1.00 0.32 H new ATOM 0 HD23 LEU A 66 -1.616 -1.062 -2.487 1.00 0.32 H new ATOM 871 N GLU A 67 -5.021 -5.031 -3.490 1.00 0.34 N ATOM 872 CA GLU A 67 -5.538 -6.064 -4.400 1.00 0.47 C ATOM 873 C GLU A 67 -6.309 -5.482 -5.605 1.00 0.46 C ATOM 874 O GLU A 67 -6.268 -6.039 -6.705 1.00 0.55 O ATOM 875 CB GLU A 67 -6.427 -7.014 -3.575 1.00 0.69 C ATOM 876 CG GLU A 67 -5.630 -8.099 -2.820 1.00 0.55 C ATOM 877 CD GLU A 67 -6.515 -9.267 -2.351 1.00 1.23 C ATOM 878 OE1 GLU A 67 -7.465 -9.646 -3.080 1.00 2.28 O ATOM 879 OE2 GLU A 67 -6.310 -9.799 -1.233 1.00 2.24 O ATOM 0 H GLU A 67 -5.345 -5.155 -2.531 1.00 0.34 H new ATOM 0 HA GLU A 67 -4.696 -6.602 -4.835 1.00 0.47 H new ATOM 0 HB2 GLU A 67 -7.001 -6.429 -2.856 1.00 0.69 H new ATOM 0 HB3 GLU A 67 -7.144 -7.497 -4.239 1.00 0.69 H new ATOM 0 HG2 GLU A 67 -4.842 -8.483 -3.468 1.00 0.55 H new ATOM 0 HG3 GLU A 67 -5.141 -7.649 -1.956 1.00 0.55 H new ATOM 886 N GLY A 68 -6.932 -4.310 -5.437 1.00 0.43 N ATOM 887 CA GLY A 68 -7.579 -3.520 -6.498 1.00 0.53 C ATOM 888 C GLY A 68 -6.629 -2.903 -7.543 1.00 0.51 C ATOM 889 O GLY A 68 -7.096 -2.248 -8.481 1.00 0.76 O ATOM 0 H GLY A 68 -7.004 -3.865 -4.522 1.00 0.43 H new ATOM 0 HA2 GLY A 68 -8.295 -4.158 -7.016 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -8.148 -2.716 -6.032 1.00 0.53 H new ATOM 893 N THR A 69 -5.311 -3.099 -7.395 1.00 0.35 N ATOM 894 CA THR A 69 -4.251 -2.654 -8.331 1.00 0.41 C ATOM 895 C THR A 69 -3.729 -3.788 -9.239 1.00 0.55 C ATOM 896 O THR A 69 -2.714 -3.628 -9.920 1.00 0.82 O ATOM 897 CB THR A 69 -3.117 -1.897 -7.609 1.00 0.51 C ATOM 898 OG1 THR A 69 -2.316 -2.734 -6.811 1.00 0.76 O ATOM 899 CG2 THR A 69 -3.689 -0.781 -6.738 1.00 0.74 C ATOM 0 H THR A 69 -4.931 -3.593 -6.587 1.00 0.35 H new ATOM 0 HA THR A 69 -4.722 -1.938 -9.004 1.00 0.41 H new ATOM 0 HB THR A 69 -2.484 -1.482 -8.393 1.00 0.51 H new ATOM 0 HG1 THR A 69 -2.872 -3.434 -6.411 1.00 0.76 H new ATOM 0 HG21 THR A 69 -2.875 -0.258 -6.236 1.00 0.74 H new ATOM 0 HG22 THR A 69 -4.241 -0.079 -7.363 1.00 0.74 H new ATOM 0 HG23 THR A 69 -4.359 -1.209 -5.993 1.00 0.74 H new ATOM 907 N GLY A 70 -4.415 -4.944 -9.253 1.00 0.52 N ATOM 908 CA GLY A 70 -4.244 -6.029 -10.242 1.00 0.65 C ATOM 909 C GLY A 70 -3.256 -7.133 -9.837 1.00 0.50 C ATOM 910 O GLY A 70 -2.790 -7.910 -10.678 1.00 0.62 O ATOM 0 H GLY A 70 -5.127 -5.158 -8.555 1.00 0.52 H new ATOM 0 HA2 GLY A 70 -5.216 -6.485 -10.430 1.00 0.65 H new ATOM 0 HA3 GLY A 70 -3.910 -5.592 -11.183 1.00 0.65 H new ATOM 914 N ARG A 71 -2.890 -7.159 -8.554 1.00 0.36 N ATOM 915 CA ARG A 71 -1.770 -7.904 -7.969 1.00 0.35 C ATOM 916 C ARG A 71 -2.058 -8.332 -6.539 1.00 0.39 C ATOM 917 O ARG A 71 -2.903 -7.747 -5.869 1.00 0.62 O ATOM 918 CB ARG A 71 -0.509 -7.030 -8.033 1.00 0.55 C ATOM 919 CG ARG A 71 -0.675 -5.621 -7.416 1.00 1.15 C ATOM 920 CD ARG A 71 0.360 -4.613 -7.936 1.00 0.79 C ATOM 921 NE ARG A 71 0.045 -4.221 -9.323 1.00 1.03 N ATOM 922 CZ ARG A 71 0.530 -4.716 -10.444 1.00 1.01 C ATOM 923 NH1 ARG A 71 1.560 -5.516 -10.491 1.00 2.23 N ATOM 924 NH2 ARG A 71 -0.064 -4.409 -11.556 1.00 1.40 N ATOM 0 H ARG A 71 -3.400 -6.626 -7.849 1.00 0.36 H new ATOM 0 HA ARG A 71 -1.619 -8.818 -8.544 1.00 0.35 H new ATOM 0 HB2 ARG A 71 0.302 -7.545 -7.518 1.00 0.55 H new ATOM 0 HB3 ARG A 71 -0.208 -6.924 -9.075 1.00 0.55 H new ATOM 0 HG2 ARG A 71 -1.677 -5.250 -7.634 1.00 1.15 H new ATOM 0 HG3 ARG A 71 -0.591 -5.693 -6.332 1.00 1.15 H new ATOM 0 HD2 ARG A 71 0.371 -3.731 -7.296 1.00 0.79 H new ATOM 0 HD3 ARG A 71 1.357 -5.051 -7.893 1.00 0.79 H new ATOM 0 HE ARG A 71 -0.637 -3.469 -9.428 1.00 1.03 H new ATOM 0 HH11 ARG A 71 2.034 -5.789 -9.630 1.00 2.23 H new ATOM 0 HH12 ARG A 71 1.891 -5.868 -11.389 1.00 2.23 H new ATOM 0 HH21 ARG A 71 -0.882 -3.800 -11.546 1.00 1.40 H new ATOM 0 HH22 ARG A 71 0.287 -4.776 -12.440 1.00 1.40 H new ATOM 938 N GLN A 72 -1.296 -9.306 -6.061 1.00 0.34 N ATOM 939 CA GLN A 72 -1.356 -9.757 -4.674 1.00 0.43 C ATOM 940 C GLN A 72 -0.553 -8.849 -3.725 1.00 0.32 C ATOM 941 O GLN A 72 0.408 -8.172 -4.106 1.00 0.35 O ATOM 942 CB GLN A 72 -0.958 -11.239 -4.563 1.00 0.77 C ATOM 943 CG GLN A 72 -2.017 -12.197 -5.145 1.00 2.19 C ATOM 944 CD GLN A 72 -3.358 -12.141 -4.410 1.00 3.27 C ATOM 945 OE1 GLN A 72 -4.366 -11.666 -4.920 1.00 4.87 O ATOM 946 NE2 GLN A 72 -3.430 -12.601 -3.179 1.00 3.21 N ATOM 0 H GLN A 72 -0.614 -9.810 -6.627 1.00 0.34 H new ATOM 0 HA GLN A 72 -2.392 -9.676 -4.344 1.00 0.43 H new ATOM 0 HB2 GLN A 72 -0.012 -11.394 -5.082 1.00 0.77 H new ATOM 0 HB3 GLN A 72 -0.791 -11.486 -3.515 1.00 0.77 H new ATOM 0 HG2 GLN A 72 -2.177 -11.955 -6.196 1.00 2.19 H new ATOM 0 HG3 GLN A 72 -1.633 -13.217 -5.108 1.00 2.19 H new ATOM 0 HE21 GLN A 72 -2.603 -13.001 -2.735 1.00 3.21 H new ATOM 0 HE22 GLN A 72 -4.312 -12.558 -2.669 1.00 3.21 H new ATOM 955 N ALA A 73 -1.008 -8.860 -2.474 1.00 0.33 N ATOM 956 CA ALA A 73 -0.581 -8.045 -1.338 1.00 0.30 C ATOM 957 C ALA A 73 -0.652 -8.891 -0.054 1.00 0.34 C ATOM 958 O ALA A 73 -1.678 -9.524 0.214 1.00 0.44 O ATOM 959 CB ALA A 73 -1.528 -6.842 -1.249 1.00 0.37 C ATOM 0 H ALA A 73 -1.755 -9.500 -2.205 1.00 0.33 H new ATOM 0 HA ALA A 73 0.445 -7.699 -1.462 1.00 0.30 H new ATOM 0 HB1 ALA A 73 -1.237 -6.211 -0.409 1.00 0.37 H new ATOM 0 HB2 ALA A 73 -1.472 -6.266 -2.172 1.00 0.37 H new ATOM 0 HB3 ALA A 73 -2.549 -7.193 -1.102 1.00 0.37 H new ATOM 965 N VAL A 74 0.429 -8.874 0.729 1.00 0.32 N ATOM 966 CA VAL A 74 0.608 -9.583 2.006 1.00 0.37 C ATOM 967 C VAL A 74 1.258 -8.631 2.997 1.00 0.35 C ATOM 968 O VAL A 74 2.310 -8.063 2.727 1.00 0.35 O ATOM 969 CB VAL A 74 1.509 -10.823 1.836 1.00 0.44 C ATOM 970 CG1 VAL A 74 1.932 -11.457 3.170 1.00 0.52 C ATOM 971 CG2 VAL A 74 0.800 -11.890 0.999 1.00 0.52 C ATOM 0 H VAL A 74 1.256 -8.333 0.476 1.00 0.32 H new ATOM 0 HA VAL A 74 -0.367 -9.916 2.363 1.00 0.37 H new ATOM 0 HB VAL A 74 2.408 -10.467 1.333 1.00 0.44 H new ATOM 0 HG11 VAL A 74 2.564 -12.324 2.977 1.00 0.52 H new ATOM 0 HG12 VAL A 74 2.487 -10.728 3.760 1.00 0.52 H new ATOM 0 HG13 VAL A 74 1.045 -11.770 3.721 1.00 0.52 H new ATOM 0 HG21 VAL A 74 1.450 -12.758 0.889 1.00 0.52 H new ATOM 0 HG22 VAL A 74 -0.123 -12.189 1.496 1.00 0.52 H new ATOM 0 HG23 VAL A 74 0.567 -11.485 0.014 1.00 0.52 H new ATOM 981 N LEU A 75 0.650 -8.435 4.156 1.00 0.37 N ATOM 982 CA LEU A 75 1.211 -7.595 5.209 1.00 0.37 C ATOM 983 C LEU A 75 2.380 -8.265 5.936 1.00 0.39 C ATOM 984 O LEU A 75 2.408 -9.478 6.149 1.00 0.51 O ATOM 985 CB LEU A 75 0.084 -7.154 6.129 1.00 0.42 C ATOM 986 CG LEU A 75 0.439 -6.032 7.130 1.00 0.43 C ATOM 987 CD1 LEU A 75 1.321 -4.901 6.605 1.00 1.15 C ATOM 988 CD2 LEU A 75 -0.838 -5.286 7.366 1.00 0.82 C ATOM 0 H LEU A 75 -0.249 -8.854 4.396 1.00 0.37 H new ATOM 0 HA LEU A 75 1.657 -6.704 4.767 1.00 0.37 H new ATOM 0 HB2 LEU A 75 -0.751 -6.817 5.515 1.00 0.42 H new ATOM 0 HB3 LEU A 75 -0.263 -8.021 6.691 1.00 0.42 H new ATOM 0 HG LEU A 75 0.939 -6.539 7.955 1.00 0.43 H new ATOM 0 HD11 LEU A 75 1.498 -4.178 7.401 1.00 1.15 H new ATOM 0 HD12 LEU A 75 2.274 -5.309 6.267 1.00 1.15 H new ATOM 0 HD13 LEU A 75 0.822 -4.407 5.771 1.00 1.15 H new ATOM 0 HD21 LEU A 75 -0.660 -4.473 8.069 1.00 0.82 H new ATOM 0 HD22 LEU A 75 -1.200 -4.877 6.423 1.00 0.82 H new ATOM 0 HD23 LEU A 75 -1.585 -5.965 7.778 1.00 0.82 H new ATOM 1000 N LYS A 76 3.347 -7.433 6.325 1.00 0.35 N ATOM 1001 CA LYS A 76 4.514 -7.829 7.129 1.00 0.39 C ATOM 1002 C LYS A 76 4.419 -7.357 8.586 1.00 0.41 C ATOM 1003 O LYS A 76 4.761 -8.109 9.502 1.00 0.52 O ATOM 1004 CB LYS A 76 5.806 -7.377 6.429 1.00 0.46 C ATOM 1005 CG LYS A 76 6.021 -7.967 5.018 1.00 0.52 C ATOM 1006 CD LYS A 76 6.308 -9.477 4.963 1.00 0.70 C ATOM 1007 CE LYS A 76 7.608 -9.858 5.684 1.00 1.65 C ATOM 1008 NZ LYS A 76 7.942 -11.287 5.480 1.00 1.76 N ATOM 0 H LYS A 76 3.345 -6.441 6.087 1.00 0.35 H new ATOM 0 HA LYS A 76 4.532 -8.917 7.194 1.00 0.39 H new ATOM 0 HB2 LYS A 76 5.801 -6.289 6.355 1.00 0.46 H new ATOM 0 HB3 LYS A 76 6.656 -7.650 7.055 1.00 0.46 H new ATOM 0 HG2 LYS A 76 5.133 -7.763 4.420 1.00 0.52 H new ATOM 0 HG3 LYS A 76 6.851 -7.441 4.547 1.00 0.52 H new ATOM 0 HD2 LYS A 76 5.476 -10.018 5.413 1.00 0.70 H new ATOM 0 HD3 LYS A 76 6.368 -9.794 3.922 1.00 0.70 H new ATOM 0 HE2 LYS A 76 8.425 -9.236 5.317 1.00 1.65 H new ATOM 0 HE3 LYS A 76 7.507 -9.655 6.750 1.00 1.65 H new ATOM 0 HZ1 LYS A 76 8.826 -11.512 5.980 1.00 1.76 H new ATOM 0 HZ2 LYS A 76 7.173 -11.880 5.852 1.00 1.76 H new ATOM 0 HZ3 LYS A 76 8.062 -11.474 4.464 1.00 1.76 H new ATOM 1022 N GLY A 77 3.892 -6.153 8.803 1.00 0.37 N ATOM 1023 CA GLY A 77 3.497 -5.608 10.100 1.00 0.35 C ATOM 1024 C GLY A 77 3.333 -4.087 10.055 1.00 0.39 C ATOM 1025 O GLY A 77 3.115 -3.501 8.992 1.00 0.43 O ATOM 0 H GLY A 77 3.720 -5.498 8.040 1.00 0.37 H new ATOM 0 HA2 GLY A 77 2.559 -6.065 10.415 1.00 0.35 H new ATOM 0 HA3 GLY A 77 4.246 -5.870 10.847 1.00 0.35 H new ATOM 1029 N MET A 78 3.433 -3.450 11.220 1.00 0.55 N ATOM 1030 CA MET A 78 3.275 -2.015 11.415 1.00 0.61 C ATOM 1031 C MET A 78 4.612 -1.353 11.771 1.00 0.73 C ATOM 1032 O MET A 78 5.480 -1.977 12.392 1.00 0.97 O ATOM 1033 CB MET A 78 2.213 -1.763 12.491 1.00 0.67 C ATOM 1034 CG MET A 78 0.801 -2.082 11.984 1.00 0.76 C ATOM 1035 SD MET A 78 0.351 -3.837 11.950 1.00 1.13 S ATOM 1036 CE MET A 78 -1.253 -3.712 11.131 1.00 1.19 C ATOM 0 H MET A 78 3.635 -3.943 12.090 1.00 0.55 H new ATOM 0 HA MET A 78 2.940 -1.562 10.482 1.00 0.61 H new ATOM 0 HB2 MET A 78 2.431 -2.374 13.367 1.00 0.67 H new ATOM 0 HB3 MET A 78 2.258 -0.721 12.809 1.00 0.67 H new ATOM 0 HG2 MET A 78 0.083 -1.555 12.612 1.00 0.76 H new ATOM 0 HG3 MET A 78 0.698 -1.681 10.976 1.00 0.76 H new ATOM 0 HE1 MET A 78 -1.685 -4.707 11.023 1.00 1.19 H new ATOM 0 HE2 MET A 78 -1.919 -3.090 11.729 1.00 1.19 H new ATOM 0 HE3 MET A 78 -1.125 -3.263 10.146 1.00 1.19 H new ATOM 1046 N GLY A 79 4.794 -0.098 11.363 1.00 0.80 N ATOM 1047 CA GLY A 79 6.068 0.616 11.502 1.00 1.00 C ATOM 1048 C GLY A 79 6.398 1.045 12.928 1.00 1.73 C ATOM 1049 O GLY A 79 5.564 1.583 13.662 1.00 2.63 O ATOM 0 H GLY A 79 4.060 0.457 10.924 1.00 0.80 H new ATOM 0 HA2 GLY A 79 6.870 -0.023 11.133 1.00 1.00 H new ATOM 0 HA3 GLY A 79 6.046 1.501 10.865 1.00 1.00 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 5.265 -2.558 -14.622 1.00 0.87 CU