USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 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 13 THR OG1 : rot -71:sc= 0.366 USER MOD Set 1.2: A 54 HIS : no HD1:sc= -0.184 X(o=0.18,f=-0.24) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 13:sc= 0.0629 USER MOD Single : A 19 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.71) USER MOD Single : A 20 MET CE :methyl 174:sc= -1.62 (180deg=-1.72!) USER MOD Single : A 21 THR OG1 : rot -40:sc= 0.207 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00281 K(o=-0.0028,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= -0.0191 K(o=-0.019,f=-0.75) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 49 GLN : amide:sc= 0.903 K(o=0.9,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 39:sc= 1.44 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -140:sc= 0.0115 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 63 GLN : amide:sc= 0.537 K(o=0.54,f=-0.14) USER MOD Single : A 69 THR OG1 : rot -58:sc= 1.28 USER MOD Single : A 72 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.078) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -10.657 4.053 13.937 1.00 1.63 N ATOM 2 CA GLY A 9 -9.398 4.192 13.223 1.00 0.82 C ATOM 3 C GLY A 9 -8.561 5.342 13.772 1.00 0.76 C ATOM 4 O GLY A 9 -9.052 6.455 13.956 1.00 1.36 O ATOM 0 HA2 GLY A 9 -8.833 3.263 13.298 1.00 0.82 H new ATOM 0 HA3 GLY A 9 -9.597 4.360 12.164 1.00 0.82 H new ATOM 8 N THR A 10 -7.280 5.076 13.993 1.00 0.65 N ATOM 9 CA THR A 10 -6.252 6.067 14.337 1.00 0.53 C ATOM 10 C THR A 10 -4.953 5.804 13.577 1.00 0.45 C ATOM 11 O THR A 10 -4.734 4.699 13.077 1.00 0.44 O ATOM 12 CB THR A 10 -6.042 6.143 15.850 1.00 0.66 C ATOM 13 OG1 THR A 10 -5.301 7.290 16.188 1.00 0.72 O ATOM 14 CG2 THR A 10 -5.340 4.917 16.433 1.00 0.72 C ATOM 0 H THR A 10 -6.907 4.128 13.937 1.00 0.65 H new ATOM 0 HA THR A 10 -6.606 7.048 14.020 1.00 0.53 H new ATOM 0 HB THR A 10 -7.041 6.186 16.283 1.00 0.66 H new ATOM 0 HG1 THR A 10 -5.177 7.325 17.159 1.00 0.72 H new ATOM 0 HG21 THR A 10 -5.225 5.041 17.510 1.00 0.72 H new ATOM 0 HG22 THR A 10 -5.936 4.027 16.232 1.00 0.72 H new ATOM 0 HG23 THR A 10 -4.358 4.808 15.974 1.00 0.72 H new ATOM 22 N LEU A 11 -4.130 6.835 13.409 1.00 0.48 N ATOM 23 CA LEU A 11 -3.071 6.864 12.392 1.00 0.45 C ATOM 24 C LEU A 11 -1.877 5.967 12.768 1.00 0.44 C ATOM 25 O LEU A 11 -1.238 6.110 13.815 1.00 0.51 O ATOM 26 CB LEU A 11 -2.639 8.318 12.131 1.00 0.50 C ATOM 27 CG LEU A 11 -2.171 8.731 10.719 1.00 0.79 C ATOM 28 CD1 LEU A 11 -0.912 8.033 10.221 1.00 2.03 C ATOM 29 CD2 LEU A 11 -3.248 8.549 9.649 1.00 1.15 C ATOM 0 H LEU A 11 -4.175 7.682 13.976 1.00 0.48 H new ATOM 0 HA LEU A 11 -3.475 6.451 11.467 1.00 0.45 H new ATOM 0 HB2 LEU A 11 -3.478 8.961 12.398 1.00 0.50 H new ATOM 0 HB3 LEU A 11 -1.829 8.547 12.823 1.00 0.50 H new ATOM 0 HG LEU A 11 -1.945 9.788 10.859 1.00 0.79 H new ATOM 0 HD11 LEU A 11 -0.668 8.393 9.221 1.00 2.03 H new ATOM 0 HD12 LEU A 11 -0.085 8.249 10.897 1.00 2.03 H new ATOM 0 HD13 LEU A 11 -1.081 6.957 10.188 1.00 2.03 H new ATOM 0 HD21 LEU A 11 -2.854 8.857 8.680 1.00 1.15 H new ATOM 0 HD22 LEU A 11 -3.543 7.501 9.604 1.00 1.15 H new ATOM 0 HD23 LEU A 11 -4.116 9.159 9.899 1.00 1.15 H new ATOM 41 N CYS A 12 -1.544 5.090 11.836 1.00 0.39 N ATOM 42 CA CYS A 12 -0.533 4.035 11.921 1.00 0.44 C ATOM 43 C CYS A 12 0.117 3.820 10.540 1.00 0.34 C ATOM 44 O CYS A 12 -0.498 4.111 9.512 1.00 0.34 O ATOM 45 CB CYS A 12 -1.215 2.744 12.403 1.00 0.59 C ATOM 46 SG CYS A 12 -1.643 2.816 14.168 1.00 1.80 S ATOM 0 H CYS A 12 -2.006 5.093 10.927 1.00 0.39 H new ATOM 0 HA CYS A 12 0.250 4.319 12.625 1.00 0.44 H new ATOM 0 HB2 CYS A 12 -2.118 2.571 11.818 1.00 0.59 H new ATOM 0 HB3 CYS A 12 -0.553 1.896 12.225 1.00 0.59 H new ATOM 0 HG CYS A 12 -1.538 4.041 14.590 1.00 1.80 H new ATOM 52 N THR A 13 1.338 3.284 10.497 1.00 0.39 N ATOM 53 CA THR A 13 2.020 2.914 9.243 1.00 0.27 C ATOM 54 C THR A 13 1.857 1.419 9.005 1.00 0.25 C ATOM 55 O THR A 13 2.330 0.614 9.801 1.00 0.45 O ATOM 56 CB THR A 13 3.519 3.253 9.282 1.00 0.31 C ATOM 57 OG1 THR A 13 3.759 4.598 9.641 1.00 0.50 O ATOM 58 CG2 THR A 13 4.161 3.016 7.912 1.00 0.40 C ATOM 0 H THR A 13 1.890 3.091 11.333 1.00 0.39 H new ATOM 0 HA THR A 13 1.565 3.487 8.435 1.00 0.27 H new ATOM 0 HB THR A 13 3.956 2.599 10.037 1.00 0.31 H new ATOM 0 HG1 THR A 13 3.495 5.186 8.903 1.00 0.50 H new ATOM 0 HG21 THR A 13 5.222 3.262 7.960 1.00 0.40 H new ATOM 0 HG22 THR A 13 4.043 1.969 7.631 1.00 0.40 H new ATOM 0 HG23 THR A 13 3.676 3.648 7.168 1.00 0.40 H new ATOM 66 N LEU A 14 1.249 1.025 7.888 1.00 0.21 N ATOM 67 CA LEU A 14 1.183 -0.373 7.443 1.00 0.21 C ATOM 68 C LEU A 14 2.282 -0.628 6.399 1.00 0.21 C ATOM 69 O LEU A 14 2.356 0.096 5.406 1.00 0.26 O ATOM 70 CB LEU A 14 -0.235 -0.659 6.918 1.00 0.29 C ATOM 71 CG LEU A 14 -1.288 -1.033 7.985 1.00 0.47 C ATOM 72 CD1 LEU A 14 -1.296 -0.184 9.253 1.00 0.87 C ATOM 73 CD2 LEU A 14 -2.691 -0.925 7.387 1.00 1.70 C ATOM 0 H LEU A 14 0.781 1.674 7.255 1.00 0.21 H new ATOM 0 HA LEU A 14 1.369 -1.062 8.267 1.00 0.21 H new ATOM 0 HB2 LEU A 14 -0.587 0.222 6.381 1.00 0.29 H new ATOM 0 HB3 LEU A 14 -0.176 -1.471 6.193 1.00 0.29 H new ATOM 0 HG LEU A 14 -1.007 -2.045 8.277 1.00 0.47 H new ATOM 0 HD11 LEU A 14 -2.076 -0.541 9.925 1.00 0.87 H new ATOM 0 HD12 LEU A 14 -0.328 -0.260 9.748 1.00 0.87 H new ATOM 0 HD13 LEU A 14 -1.490 0.857 8.993 1.00 0.87 H new ATOM 0 HD21 LEU A 14 -3.430 -1.190 8.143 1.00 1.70 H new ATOM 0 HD22 LEU A 14 -2.866 0.097 7.051 1.00 1.70 H new ATOM 0 HD23 LEU A 14 -2.779 -1.605 6.540 1.00 1.70 H new ATOM 85 N GLU A 15 3.128 -1.640 6.624 1.00 0.31 N ATOM 86 CA GLU A 15 4.258 -2.013 5.756 1.00 0.31 C ATOM 87 C GLU A 15 3.995 -3.351 5.036 1.00 0.29 C ATOM 88 O GLU A 15 4.320 -4.432 5.536 1.00 0.43 O ATOM 89 CB GLU A 15 5.578 -2.043 6.554 1.00 0.47 C ATOM 90 CG GLU A 15 5.933 -0.683 7.177 1.00 1.11 C ATOM 91 CD GLU A 15 7.384 -0.630 7.687 1.00 1.28 C ATOM 92 OE1 GLU A 15 7.883 -1.640 8.243 1.00 1.51 O ATOM 93 OE2 GLU A 15 8.063 0.415 7.547 1.00 2.46 O ATOM 0 H GLU A 15 3.045 -2.244 7.442 1.00 0.31 H new ATOM 0 HA GLU A 15 4.357 -1.249 4.985 1.00 0.31 H new ATOM 0 HB2 GLU A 15 5.502 -2.790 7.344 1.00 0.47 H new ATOM 0 HB3 GLU A 15 6.388 -2.357 5.895 1.00 0.47 H new ATOM 0 HG2 GLU A 15 5.782 0.103 6.437 1.00 1.11 H new ATOM 0 HG3 GLU A 15 5.253 -0.477 8.003 1.00 1.11 H new ATOM 100 N PHE A 16 3.403 -3.288 3.840 1.00 0.24 N ATOM 101 CA PHE A 16 2.923 -4.463 3.090 1.00 0.28 C ATOM 102 C PHE A 16 3.919 -4.931 2.031 1.00 0.26 C ATOM 103 O PHE A 16 4.546 -4.122 1.353 1.00 0.30 O ATOM 104 CB PHE A 16 1.620 -4.158 2.330 1.00 0.28 C ATOM 105 CG PHE A 16 0.329 -4.045 3.095 1.00 0.24 C ATOM 106 CD1 PHE A 16 -0.103 -2.804 3.591 1.00 2.06 C ATOM 107 CD2 PHE A 16 -0.500 -5.179 3.205 1.00 2.00 C ATOM 108 CE1 PHE A 16 -1.372 -2.696 4.182 1.00 2.08 C ATOM 109 CE2 PHE A 16 -1.764 -5.069 3.801 1.00 1.98 C ATOM 110 CZ PHE A 16 -2.202 -3.828 4.284 1.00 0.30 C ATOM 0 H PHE A 16 3.239 -2.407 3.354 1.00 0.24 H new ATOM 0 HA PHE A 16 2.777 -5.232 3.848 1.00 0.28 H new ATOM 0 HB2 PHE A 16 1.766 -3.220 1.794 1.00 0.28 H new ATOM 0 HB3 PHE A 16 1.489 -4.938 1.580 1.00 0.28 H new ATOM 0 HD1 PHE A 16 0.538 -1.937 3.518 1.00 2.06 H new ATOM 0 HD2 PHE A 16 -0.161 -6.133 2.830 1.00 2.00 H new ATOM 0 HE1 PHE A 16 -1.712 -1.743 4.559 1.00 2.08 H new ATOM 0 HE2 PHE A 16 -2.399 -5.938 3.888 1.00 1.98 H new ATOM 0 HZ PHE A 16 -3.179 -3.740 4.736 1.00 0.30 H new ATOM 120 N ALA A 17 3.953 -6.241 1.811 1.00 0.31 N ATOM 121 CA ALA A 17 4.539 -6.853 0.613 1.00 0.32 C ATOM 122 C ALA A 17 3.509 -6.934 -0.536 1.00 0.39 C ATOM 123 O ALA A 17 2.339 -7.232 -0.291 1.00 0.56 O ATOM 124 CB ALA A 17 5.068 -8.238 0.992 1.00 0.42 C ATOM 0 H ALA A 17 3.570 -6.922 2.467 1.00 0.31 H new ATOM 0 HA ALA A 17 5.360 -6.237 0.247 1.00 0.32 H new ATOM 0 HB1 ALA A 17 5.509 -8.712 0.115 1.00 0.42 H new ATOM 0 HB2 ALA A 17 5.825 -8.138 1.769 1.00 0.42 H new ATOM 0 HB3 ALA A 17 4.247 -8.852 1.362 1.00 0.42 H new ATOM 130 N VAL A 18 3.920 -6.687 -1.786 1.00 0.37 N ATOM 131 CA VAL A 18 3.042 -6.690 -2.977 1.00 0.40 C ATOM 132 C VAL A 18 3.748 -7.225 -4.226 1.00 0.46 C ATOM 133 O VAL A 18 4.975 -7.191 -4.321 1.00 0.61 O ATOM 134 CB VAL A 18 2.470 -5.290 -3.268 1.00 0.45 C ATOM 135 CG1 VAL A 18 1.491 -4.781 -2.203 1.00 0.48 C ATOM 136 CG2 VAL A 18 3.566 -4.251 -3.419 1.00 0.47 C ATOM 0 H VAL A 18 4.892 -6.474 -2.009 1.00 0.37 H new ATOM 0 HA VAL A 18 2.221 -7.365 -2.737 1.00 0.40 H new ATOM 0 HB VAL A 18 1.927 -5.418 -4.204 1.00 0.45 H new ATOM 0 HG11 VAL A 18 1.134 -3.790 -2.481 1.00 0.48 H new ATOM 0 HG12 VAL A 18 0.645 -5.464 -2.130 1.00 0.48 H new ATOM 0 HG13 VAL A 18 1.998 -4.727 -1.239 1.00 0.48 H new ATOM 0 HG21 VAL A 18 3.119 -3.278 -3.623 1.00 0.47 H new ATOM 0 HG22 VAL A 18 4.146 -4.198 -2.498 1.00 0.47 H new ATOM 0 HG23 VAL A 18 4.221 -4.530 -4.244 1.00 0.47 H new ATOM 146 N GLN A 19 2.991 -7.699 -5.220 1.00 0.46 N ATOM 147 CA GLN A 19 3.561 -8.178 -6.489 1.00 0.52 C ATOM 148 C GLN A 19 3.574 -7.075 -7.564 1.00 0.56 C ATOM 149 O GLN A 19 2.630 -6.920 -8.337 1.00 0.59 O ATOM 150 CB GLN A 19 2.811 -9.446 -6.943 1.00 0.63 C ATOM 151 CG GLN A 19 3.178 -10.688 -6.106 1.00 1.50 C ATOM 152 CD GLN A 19 4.624 -11.151 -6.288 1.00 2.58 C ATOM 153 OE1 GLN A 19 5.296 -10.833 -7.263 1.00 3.47 O ATOM 154 NE2 GLN A 19 5.154 -11.932 -5.378 1.00 3.64 N ATOM 0 H GLN A 19 1.974 -7.763 -5.172 1.00 0.46 H new ATOM 0 HA GLN A 19 4.607 -8.443 -6.332 1.00 0.52 H new ATOM 0 HB2 GLN A 19 1.737 -9.272 -6.875 1.00 0.63 H new ATOM 0 HB3 GLN A 19 3.036 -9.640 -7.992 1.00 0.63 H new ATOM 0 HG2 GLN A 19 3.007 -10.468 -5.052 1.00 1.50 H new ATOM 0 HG3 GLN A 19 2.508 -11.505 -6.373 1.00 1.50 H new ATOM 0 HE21 GLN A 19 4.609 -12.206 -4.561 1.00 3.64 H new ATOM 0 HE22 GLN A 19 6.112 -12.266 -5.487 1.00 3.64 H new ATOM 163 N MET A 20 4.683 -6.336 -7.637 1.00 0.59 N ATOM 164 CA MET A 20 5.110 -5.474 -8.754 1.00 0.55 C ATOM 165 C MET A 20 6.646 -5.375 -8.755 1.00 0.68 C ATOM 166 O MET A 20 7.241 -5.471 -7.682 1.00 0.92 O ATOM 167 CB MET A 20 4.490 -4.070 -8.632 1.00 0.54 C ATOM 168 CG MET A 20 4.609 -3.484 -7.218 1.00 0.64 C ATOM 169 SD MET A 20 4.499 -1.677 -7.154 1.00 0.58 S ATOM 170 CE MET A 20 4.570 -1.505 -5.359 1.00 0.52 C ATOM 0 H MET A 20 5.355 -6.319 -6.869 1.00 0.59 H new ATOM 0 HA MET A 20 4.768 -5.913 -9.691 1.00 0.55 H new ATOM 0 HB2 MET A 20 4.979 -3.400 -9.340 1.00 0.54 H new ATOM 0 HB3 MET A 20 3.438 -4.118 -8.913 1.00 0.54 H new ATOM 0 HG2 MET A 20 3.822 -3.907 -6.594 1.00 0.64 H new ATOM 0 HG3 MET A 20 5.560 -3.795 -6.786 1.00 0.64 H new ATOM 0 HE1 MET A 20 4.624 -0.448 -5.097 1.00 0.52 H new ATOM 0 HE2 MET A 20 3.676 -1.944 -4.916 1.00 0.52 H new ATOM 0 HE3 MET A 20 5.453 -2.019 -4.979 1.00 0.52 H new ATOM 180 N THR A 21 7.311 -5.221 -9.907 1.00 0.67 N ATOM 181 CA THR A 21 8.796 -5.193 -9.984 1.00 1.00 C ATOM 182 C THR A 21 9.405 -4.383 -11.150 1.00 0.76 C ATOM 183 O THR A 21 10.628 -4.382 -11.333 1.00 0.82 O ATOM 184 CB THR A 21 9.338 -6.626 -9.864 1.00 1.75 C ATOM 185 OG1 THR A 21 10.705 -6.689 -9.537 1.00 3.37 O ATOM 186 CG2 THR A 21 9.121 -7.520 -11.069 1.00 1.04 C ATOM 0 H THR A 21 6.849 -5.112 -10.810 1.00 0.67 H new ATOM 0 HA THR A 21 9.140 -4.609 -9.130 1.00 1.00 H new ATOM 0 HB THR A 21 8.729 -7.007 -9.044 1.00 1.75 H new ATOM 0 HG1 THR A 21 11.190 -5.989 -10.022 1.00 3.37 H new ATOM 0 HG21 THR A 21 9.543 -8.505 -10.872 1.00 1.04 H new ATOM 0 HG22 THR A 21 8.053 -7.615 -11.264 1.00 1.04 H new ATOM 0 HG23 THR A 21 9.611 -7.083 -11.939 1.00 1.04 H new ATOM 194 N CYS A 22 8.578 -3.649 -11.906 1.00 0.64 N ATOM 195 CA CYS A 22 9.001 -2.704 -12.952 1.00 0.62 C ATOM 196 C CYS A 22 8.240 -1.334 -12.920 1.00 0.53 C ATOM 197 O CYS A 22 7.175 -1.204 -12.309 1.00 0.49 O ATOM 198 CB CYS A 22 8.998 -3.487 -14.285 1.00 0.97 C ATOM 199 SG CYS A 22 7.760 -3.016 -15.527 1.00 1.07 S ATOM 0 H CYS A 22 7.564 -3.697 -11.805 1.00 0.64 H new ATOM 0 HA CYS A 22 10.016 -2.344 -12.780 1.00 0.62 H new ATOM 0 HB2 CYS A 22 9.985 -3.386 -14.737 1.00 0.97 H new ATOM 0 HB3 CYS A 22 8.860 -4.543 -14.055 1.00 0.97 H new ATOM 204 N GLN A 23 8.827 -0.299 -13.544 1.00 0.65 N ATOM 205 CA GLN A 23 8.603 1.145 -13.294 1.00 0.74 C ATOM 206 C GLN A 23 7.178 1.682 -13.557 1.00 0.74 C ATOM 207 O GLN A 23 6.712 2.529 -12.788 1.00 0.76 O ATOM 208 CB GLN A 23 9.600 1.955 -14.142 1.00 0.98 C ATOM 209 CG GLN A 23 11.051 1.903 -13.628 1.00 1.60 C ATOM 210 CD GLN A 23 11.272 2.791 -12.406 1.00 1.54 C ATOM 211 OE1 GLN A 23 11.127 4.008 -12.457 1.00 2.36 O ATOM 212 NE2 GLN A 23 11.661 2.247 -11.276 1.00 1.53 N ATOM 0 H GLN A 23 9.514 -0.452 -14.283 1.00 0.65 H new ATOM 0 HA GLN A 23 8.752 1.266 -12.221 1.00 0.74 H new ATOM 0 HB2 GLN A 23 9.575 1.583 -15.166 1.00 0.98 H new ATOM 0 HB3 GLN A 23 9.274 2.995 -14.172 1.00 0.98 H new ATOM 0 HG2 GLN A 23 11.307 0.874 -13.376 1.00 1.60 H new ATOM 0 HG3 GLN A 23 11.727 2.213 -14.425 1.00 1.60 H new ATOM 0 HE21 GLN A 23 11.787 1.237 -11.213 1.00 1.53 H new ATOM 0 HE22 GLN A 23 11.837 2.835 -10.461 1.00 1.53 H new ATOM 221 N SER A 24 6.463 1.221 -14.588 1.00 0.78 N ATOM 222 CA SER A 24 5.089 1.696 -14.862 1.00 0.84 C ATOM 223 C SER A 24 4.040 1.164 -13.879 1.00 0.80 C ATOM 224 O SER A 24 2.974 1.771 -13.738 1.00 0.90 O ATOM 225 CB SER A 24 4.679 1.357 -16.299 1.00 1.02 C ATOM 226 OG SER A 24 5.412 2.137 -17.227 1.00 1.51 O ATOM 0 H SER A 24 6.805 0.522 -15.248 1.00 0.78 H new ATOM 0 HA SER A 24 5.117 2.777 -14.727 1.00 0.84 H new ATOM 0 HB2 SER A 24 4.851 0.298 -16.491 1.00 1.02 H new ATOM 0 HB3 SER A 24 3.612 1.536 -16.429 1.00 1.02 H new ATOM 0 HG SER A 24 5.137 1.905 -18.139 1.00 1.51 H new ATOM 232 N CYS A 25 4.338 0.077 -13.159 1.00 0.71 N ATOM 233 CA CYS A 25 3.458 -0.499 -12.156 1.00 0.69 C ATOM 234 C CYS A 25 3.589 0.232 -10.795 1.00 0.61 C ATOM 235 O CYS A 25 2.612 0.392 -10.076 1.00 0.55 O ATOM 236 CB CYS A 25 3.779 -2.000 -12.104 1.00 0.76 C ATOM 237 SG CYS A 25 3.722 -2.868 -13.701 1.00 1.00 S ATOM 0 H CYS A 25 5.216 -0.431 -13.265 1.00 0.71 H new ATOM 0 HA CYS A 25 2.407 -0.371 -12.415 1.00 0.69 H new ATOM 0 HB2 CYS A 25 4.774 -2.127 -11.677 1.00 0.76 H new ATOM 0 HB3 CYS A 25 3.076 -2.481 -11.424 1.00 0.76 H new ATOM 242 N VAL A 26 4.780 0.742 -10.478 1.00 0.64 N ATOM 243 CA VAL A 26 5.087 1.590 -9.318 1.00 0.60 C ATOM 244 C VAL A 26 4.181 2.814 -9.303 1.00 0.60 C ATOM 245 O VAL A 26 3.458 3.033 -8.335 1.00 0.61 O ATOM 246 CB VAL A 26 6.556 2.057 -9.374 1.00 0.63 C ATOM 247 CG1 VAL A 26 7.140 2.343 -8.002 1.00 0.57 C ATOM 248 CG2 VAL A 26 7.465 0.998 -9.960 1.00 0.82 C ATOM 0 H VAL A 26 5.604 0.567 -11.053 1.00 0.64 H new ATOM 0 HA VAL A 26 4.922 1.004 -8.414 1.00 0.60 H new ATOM 0 HB VAL A 26 6.520 2.958 -9.986 1.00 0.63 H new ATOM 0 HG11 VAL A 26 8.175 2.667 -8.108 1.00 0.57 H new ATOM 0 HG12 VAL A 26 6.561 3.129 -7.517 1.00 0.57 H new ATOM 0 HG13 VAL A 26 7.103 1.438 -7.395 1.00 0.57 H new ATOM 0 HG21 VAL A 26 8.490 1.369 -9.981 1.00 0.82 H new ATOM 0 HG22 VAL A 26 7.417 0.098 -9.347 1.00 0.82 H new ATOM 0 HG23 VAL A 26 7.144 0.764 -10.975 1.00 0.82 H new ATOM 258 N ASP A 27 4.151 3.549 -10.418 1.00 0.63 N ATOM 259 CA ASP A 27 3.230 4.664 -10.646 1.00 0.66 C ATOM 260 C ASP A 27 1.769 4.206 -10.530 1.00 0.63 C ATOM 261 O ASP A 27 0.960 4.899 -9.914 1.00 0.62 O ATOM 262 CB ASP A 27 3.493 5.272 -12.039 1.00 0.76 C ATOM 263 CG ASP A 27 4.425 6.487 -12.003 1.00 1.74 C ATOM 264 OD1 ASP A 27 5.517 6.414 -11.390 1.00 3.05 O ATOM 265 OD2 ASP A 27 4.065 7.535 -12.593 1.00 2.33 O ATOM 0 H ASP A 27 4.780 3.381 -11.203 1.00 0.63 H new ATOM 0 HA ASP A 27 3.403 5.422 -9.882 1.00 0.66 H new ATOM 0 HB2 ASP A 27 3.927 4.509 -12.685 1.00 0.76 H new ATOM 0 HB3 ASP A 27 2.543 5.565 -12.485 1.00 0.76 H new ATOM 270 N ALA A 28 1.427 3.015 -11.036 1.00 0.64 N ATOM 271 CA ALA A 28 0.036 2.554 -11.005 1.00 0.63 C ATOM 272 C ALA A 28 -0.444 2.243 -9.585 1.00 0.63 C ATOM 273 O ALA A 28 -1.585 2.551 -9.224 1.00 0.66 O ATOM 274 CB ALA A 28 -0.134 1.309 -11.873 1.00 0.55 C ATOM 0 H ALA A 28 2.083 2.363 -11.465 1.00 0.64 H new ATOM 0 HA ALA A 28 -0.572 3.370 -11.397 1.00 0.63 H new ATOM 0 HB1 ALA A 28 -1.173 0.980 -11.838 1.00 0.55 H new ATOM 0 HB2 ALA A 28 0.138 1.543 -12.902 1.00 0.55 H new ATOM 0 HB3 ALA A 28 0.511 0.514 -11.499 1.00 0.55 H new ATOM 280 N VAL A 29 0.406 1.621 -8.760 1.00 0.61 N ATOM 281 CA VAL A 29 0.049 1.258 -7.405 1.00 0.63 C ATOM 282 C VAL A 29 0.063 2.511 -6.523 1.00 0.65 C ATOM 283 O VAL A 29 -0.902 2.735 -5.792 1.00 0.77 O ATOM 284 CB VAL A 29 0.939 0.100 -6.916 1.00 0.68 C ATOM 285 CG1 VAL A 29 0.510 -0.356 -5.528 1.00 0.74 C ATOM 286 CG2 VAL A 29 0.806 -1.158 -7.794 1.00 0.64 C ATOM 0 H VAL A 29 1.356 1.360 -9.023 1.00 0.61 H new ATOM 0 HA VAL A 29 -0.969 0.871 -7.352 1.00 0.63 H new ATOM 0 HB VAL A 29 1.956 0.492 -6.942 1.00 0.68 H new ATOM 0 HG11 VAL A 29 1.151 -1.175 -5.200 1.00 0.74 H new ATOM 0 HG12 VAL A 29 0.597 0.476 -4.829 1.00 0.74 H new ATOM 0 HG13 VAL A 29 -0.525 -0.696 -5.560 1.00 0.74 H new ATOM 0 HG21 VAL A 29 1.454 -1.943 -7.405 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -0.228 -1.502 -7.782 1.00 0.64 H new ATOM 0 HG23 VAL A 29 1.098 -0.920 -8.817 1.00 0.64 H new ATOM 296 N ARG A 30 1.054 3.409 -6.680 1.00 0.60 N ATOM 297 CA ARG A 30 1.109 4.730 -6.018 1.00 0.66 C ATOM 298 C ARG A 30 -0.128 5.574 -6.317 1.00 0.80 C ATOM 299 O ARG A 30 -0.606 6.273 -5.431 1.00 0.94 O ATOM 300 CB ARG A 30 2.346 5.507 -6.531 1.00 0.67 C ATOM 301 CG ARG A 30 3.685 5.038 -5.930 1.00 0.61 C ATOM 302 CD ARG A 30 4.879 5.600 -6.729 1.00 0.65 C ATOM 303 NE ARG A 30 6.175 5.523 -6.028 1.00 1.30 N ATOM 304 CZ ARG A 30 6.539 6.066 -4.880 1.00 1.90 C ATOM 305 NH1 ARG A 30 5.792 6.865 -4.178 1.00 2.91 N ATOM 306 NH2 ARG A 30 7.700 5.758 -4.399 1.00 2.64 N ATOM 0 H ARG A 30 1.857 3.234 -7.284 1.00 0.60 H new ATOM 0 HA ARG A 30 1.162 4.552 -4.944 1.00 0.66 H new ATOM 0 HB2 ARG A 30 2.395 5.412 -7.616 1.00 0.67 H new ATOM 0 HB3 ARG A 30 2.213 6.566 -6.309 1.00 0.67 H new ATOM 0 HG2 ARG A 30 3.754 5.361 -4.891 1.00 0.61 H new ATOM 0 HG3 ARG A 30 3.725 3.949 -5.928 1.00 0.61 H new ATOM 0 HD2 ARG A 30 4.957 5.057 -7.671 1.00 0.65 H new ATOM 0 HD3 ARG A 30 4.676 6.642 -6.977 1.00 0.65 H new ATOM 0 HE ARG A 30 6.893 4.971 -6.497 1.00 1.30 H new ATOM 0 HH11 ARG A 30 4.858 7.110 -4.506 1.00 2.91 H new ATOM 0 HH12 ARG A 30 6.140 7.247 -3.299 1.00 2.91 H new ATOM 0 HH21 ARG A 30 8.306 5.112 -4.904 1.00 2.64 H new ATOM 0 HH22 ARG A 30 8.009 6.161 -3.515 1.00 2.64 H new ATOM 320 N LYS A 31 -0.660 5.533 -7.542 1.00 0.82 N ATOM 321 CA LYS A 31 -1.809 6.367 -7.943 1.00 0.91 C ATOM 322 C LYS A 31 -3.186 5.751 -7.706 1.00 1.00 C ATOM 323 O LYS A 31 -4.153 6.502 -7.578 1.00 1.05 O ATOM 324 CB LYS A 31 -1.533 7.008 -9.306 1.00 1.13 C ATOM 325 CG LYS A 31 -0.286 7.901 -9.105 1.00 1.10 C ATOM 326 CD LYS A 31 -0.188 9.050 -10.097 1.00 1.42 C ATOM 327 CE LYS A 31 0.859 10.032 -9.564 1.00 1.44 C ATOM 328 NZ LYS A 31 0.886 11.269 -10.378 1.00 2.07 N ATOM 0 H LYS A 31 -0.312 4.926 -8.284 1.00 0.82 H new ATOM 0 HA LYS A 31 -1.896 7.198 -7.243 1.00 0.91 H new ATOM 0 HB2 LYS A 31 -1.352 6.248 -10.066 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -2.386 7.597 -9.641 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -0.300 8.307 -8.093 1.00 1.10 H new ATOM 0 HG3 LYS A 31 0.609 7.284 -9.188 1.00 1.10 H new ATOM 0 HD2 LYS A 31 0.098 8.682 -11.082 1.00 1.42 H new ATOM 0 HD3 LYS A 31 -1.154 9.543 -10.209 1.00 1.42 H new ATOM 0 HE2 LYS A 31 0.636 10.280 -8.526 1.00 1.44 H new ATOM 0 HE3 LYS A 31 1.843 9.563 -9.576 1.00 1.44 H new ATOM 0 HZ1 LYS A 31 1.603 11.919 -9.998 1.00 2.07 H new ATOM 0 HZ2 LYS A 31 1.121 11.031 -11.363 1.00 2.07 H new ATOM 0 HZ3 LYS A 31 -0.048 11.726 -10.346 1.00 2.07 H new ATOM 342 N SER A 32 -3.273 4.431 -7.525 1.00 1.05 N ATOM 343 CA SER A 32 -4.407 3.812 -6.819 1.00 1.09 C ATOM 344 C SER A 32 -4.385 4.114 -5.306 1.00 0.99 C ATOM 345 O SER A 32 -5.435 4.319 -4.703 1.00 1.08 O ATOM 346 CB SER A 32 -4.429 2.308 -7.068 1.00 1.28 C ATOM 347 OG SER A 32 -5.702 1.775 -6.743 1.00 1.64 O ATOM 0 H SER A 32 -2.574 3.767 -7.856 1.00 1.05 H new ATOM 0 HA SER A 32 -5.321 4.251 -7.220 1.00 1.09 H new ATOM 0 HB2 SER A 32 -4.197 2.102 -8.113 1.00 1.28 H new ATOM 0 HB3 SER A 32 -3.660 1.822 -6.468 1.00 1.28 H new ATOM 0 HG SER A 32 -5.704 0.809 -6.908 1.00 1.64 H new ATOM 353 N LEU A 33 -3.194 4.203 -4.694 1.00 0.97 N ATOM 354 CA LEU A 33 -2.983 4.572 -3.282 1.00 1.04 C ATOM 355 C LEU A 33 -3.263 6.056 -2.979 1.00 0.87 C ATOM 356 O LEU A 33 -3.778 6.389 -1.912 1.00 0.95 O ATOM 357 CB LEU A 33 -1.516 4.262 -2.925 1.00 1.23 C ATOM 358 CG LEU A 33 -1.237 2.795 -2.578 1.00 0.82 C ATOM 359 CD1 LEU A 33 0.251 2.476 -2.712 1.00 1.16 C ATOM 360 CD2 LEU A 33 -1.616 2.537 -1.126 1.00 0.80 C ATOM 0 H LEU A 33 -2.320 4.014 -5.184 1.00 0.97 H new ATOM 0 HA LEU A 33 -3.690 3.995 -2.686 1.00 1.04 H new ATOM 0 HB2 LEU A 33 -0.884 4.549 -3.765 1.00 1.23 H new ATOM 0 HB3 LEU A 33 -1.223 4.883 -2.079 1.00 1.23 H new ATOM 0 HG LEU A 33 -1.818 2.176 -3.262 1.00 0.82 H new ATOM 0 HD11 LEU A 33 0.423 1.429 -2.460 1.00 1.16 H new ATOM 0 HD12 LEU A 33 0.572 2.660 -3.737 1.00 1.16 H new ATOM 0 HD13 LEU A 33 0.822 3.111 -2.034 1.00 1.16 H new ATOM 0 HD21 LEU A 33 -1.418 1.494 -0.878 1.00 0.80 H new ATOM 0 HD22 LEU A 33 -1.026 3.183 -0.476 1.00 0.80 H new ATOM 0 HD23 LEU A 33 -2.676 2.749 -0.983 1.00 0.80 H new ATOM 372 N GLN A 34 -2.918 6.949 -3.904 1.00 0.72 N ATOM 373 CA GLN A 34 -3.087 8.390 -3.743 1.00 0.61 C ATOM 374 C GLN A 34 -4.562 8.787 -3.708 1.00 0.63 C ATOM 375 O GLN A 34 -5.351 8.465 -4.602 1.00 0.61 O ATOM 376 CB GLN A 34 -2.336 9.131 -4.855 1.00 0.62 C ATOM 377 CG GLN A 34 -0.926 9.537 -4.412 1.00 1.01 C ATOM 378 CD GLN A 34 -0.131 10.224 -5.520 1.00 0.96 C ATOM 379 OE1 GLN A 34 -0.675 10.858 -6.421 1.00 1.52 O ATOM 380 NE2 GLN A 34 1.180 10.149 -5.493 1.00 1.12 N ATOM 0 H GLN A 34 -2.507 6.687 -4.800 1.00 0.72 H new ATOM 0 HA GLN A 34 -2.662 8.678 -2.782 1.00 0.61 H new ATOM 0 HB2 GLN A 34 -2.271 8.494 -5.737 1.00 0.62 H new ATOM 0 HB3 GLN A 34 -2.897 10.020 -5.144 1.00 0.62 H new ATOM 0 HG2 GLN A 34 -0.998 10.206 -3.555 1.00 1.01 H new ATOM 0 HG3 GLN A 34 -0.386 8.651 -4.080 1.00 1.01 H new ATOM 0 HE21 GLN A 34 1.646 9.626 -4.751 1.00 1.12 H new ATOM 0 HE22 GLN A 34 1.732 10.614 -6.214 1.00 1.12 H new ATOM 389 N GLY A 35 -4.907 9.536 -2.670 1.00 0.77 N ATOM 390 CA GLY A 35 -6.267 9.988 -2.384 1.00 0.91 C ATOM 391 C GLY A 35 -7.203 8.922 -1.792 1.00 1.01 C ATOM 392 O GLY A 35 -8.422 9.061 -1.925 1.00 1.18 O ATOM 0 H GLY A 35 -4.228 9.858 -1.980 1.00 0.77 H new ATOM 0 HA2 GLY A 35 -6.215 10.827 -1.691 1.00 0.91 H new ATOM 0 HA3 GLY A 35 -6.709 10.364 -3.307 1.00 0.91 H new ATOM 396 N VAL A 36 -6.687 7.863 -1.154 1.00 1.00 N ATOM 397 CA VAL A 36 -7.472 6.887 -0.390 1.00 1.15 C ATOM 398 C VAL A 36 -8.112 7.560 0.823 1.00 0.97 C ATOM 399 O VAL A 36 -7.490 8.326 1.562 1.00 0.65 O ATOM 400 CB VAL A 36 -6.601 5.671 0.005 1.00 1.27 C ATOM 401 CG1 VAL A 36 -7.187 4.801 1.127 1.00 1.47 C ATOM 402 CG2 VAL A 36 -6.425 4.749 -1.208 1.00 1.58 C ATOM 0 H VAL A 36 -5.688 7.657 -1.156 1.00 1.00 H new ATOM 0 HA VAL A 36 -8.278 6.507 -1.018 1.00 1.15 H new ATOM 0 HB VAL A 36 -5.665 6.101 0.361 1.00 1.27 H new ATOM 0 HG11 VAL A 36 -6.510 3.973 1.337 1.00 1.47 H new ATOM 0 HG12 VAL A 36 -7.313 5.404 2.026 1.00 1.47 H new ATOM 0 HG13 VAL A 36 -8.154 4.408 0.815 1.00 1.47 H new ATOM 0 HG21 VAL A 36 -5.811 3.893 -0.928 1.00 1.58 H new ATOM 0 HG22 VAL A 36 -7.401 4.401 -1.545 1.00 1.58 H new ATOM 0 HG23 VAL A 36 -5.937 5.297 -2.014 1.00 1.58 H new ATOM 412 N ALA A 37 -9.382 7.249 1.032 1.00 1.30 N ATOM 413 CA ALA A 37 -10.146 7.693 2.196 1.00 1.34 C ATOM 414 C ALA A 37 -9.547 7.100 3.483 1.00 1.08 C ATOM 415 O ALA A 37 -9.573 5.883 3.672 1.00 1.21 O ATOM 416 CB ALA A 37 -11.619 7.312 2.001 1.00 1.80 C ATOM 0 H ALA A 37 -9.923 6.671 0.389 1.00 1.30 H new ATOM 0 HA ALA A 37 -10.090 8.777 2.297 1.00 1.34 H new ATOM 0 HB1 ALA A 37 -12.197 7.640 2.865 1.00 1.80 H new ATOM 0 HB2 ALA A 37 -12.004 7.795 1.103 1.00 1.80 H new ATOM 0 HB3 ALA A 37 -11.704 6.230 1.896 1.00 1.80 H new ATOM 422 N GLY A 38 -8.983 7.951 4.346 1.00 0.85 N ATOM 423 CA GLY A 38 -8.290 7.557 5.576 1.00 0.63 C ATOM 424 C GLY A 38 -6.759 7.541 5.476 1.00 0.39 C ATOM 425 O GLY A 38 -6.105 7.088 6.418 1.00 0.33 O ATOM 0 H GLY A 38 -8.997 8.961 4.204 1.00 0.85 H new ATOM 0 HA2 GLY A 38 -8.581 8.240 6.374 1.00 0.63 H new ATOM 0 HA3 GLY A 38 -8.631 6.563 5.866 1.00 0.63 H new ATOM 429 N VAL A 39 -6.150 8.001 4.373 1.00 0.38 N ATOM 430 CA VAL A 39 -4.685 8.128 4.237 1.00 0.42 C ATOM 431 C VAL A 39 -4.189 9.537 4.602 1.00 0.55 C ATOM 432 O VAL A 39 -4.881 10.531 4.352 1.00 0.83 O ATOM 433 CB VAL A 39 -4.228 7.679 2.831 1.00 0.52 C ATOM 434 CG1 VAL A 39 -4.258 8.778 1.760 1.00 1.39 C ATOM 435 CG2 VAL A 39 -2.824 7.071 2.864 1.00 1.69 C ATOM 0 H VAL A 39 -6.661 8.299 3.542 1.00 0.38 H new ATOM 0 HA VAL A 39 -4.220 7.457 4.959 1.00 0.42 H new ATOM 0 HB VAL A 39 -4.967 6.931 2.544 1.00 0.52 H new ATOM 0 HG11 VAL A 39 -3.921 8.368 0.808 1.00 1.39 H new ATOM 0 HG12 VAL A 39 -5.275 9.154 1.653 1.00 1.39 H new ATOM 0 HG13 VAL A 39 -3.599 9.594 2.057 1.00 1.39 H new ATOM 0 HG21 VAL A 39 -2.536 6.767 1.858 1.00 1.69 H new ATOM 0 HG22 VAL A 39 -2.116 7.811 3.236 1.00 1.69 H new ATOM 0 HG23 VAL A 39 -2.819 6.202 3.521 1.00 1.69 H new ATOM 445 N GLN A 40 -2.986 9.617 5.179 1.00 0.44 N ATOM 446 CA GLN A 40 -2.182 10.839 5.336 1.00 0.46 C ATOM 447 C GLN A 40 -0.996 10.895 4.363 1.00 0.45 C ATOM 448 O GLN A 40 -0.761 11.927 3.735 1.00 0.56 O ATOM 449 CB GLN A 40 -1.631 10.909 6.771 1.00 0.51 C ATOM 450 CG GLN A 40 -2.604 11.578 7.743 1.00 0.72 C ATOM 451 CD GLN A 40 -1.933 11.970 9.062 1.00 2.08 C ATOM 452 OE1 GLN A 40 -0.776 11.659 9.327 1.00 3.46 O ATOM 453 NE2 GLN A 40 -2.630 12.664 9.933 1.00 2.17 N ATOM 0 H GLN A 40 -2.523 8.796 5.568 1.00 0.44 H new ATOM 0 HA GLN A 40 -2.839 11.681 5.120 1.00 0.46 H new ATOM 0 HB2 GLN A 40 -1.410 9.901 7.121 1.00 0.51 H new ATOM 0 HB3 GLN A 40 -0.690 11.459 6.768 1.00 0.51 H new ATOM 0 HG2 GLN A 40 -3.027 12.467 7.275 1.00 0.72 H new ATOM 0 HG3 GLN A 40 -3.433 10.900 7.947 1.00 0.72 H new ATOM 0 HE21 GLN A 40 -3.593 12.927 9.722 1.00 2.17 H new ATOM 0 HE22 GLN A 40 -2.209 12.939 10.820 1.00 2.17 H new ATOM 462 N ASP A 41 -0.247 9.793 4.255 1.00 0.39 N ATOM 463 CA ASP A 41 0.997 9.690 3.486 1.00 0.42 C ATOM 464 C ASP A 41 1.163 8.261 2.943 1.00 0.32 C ATOM 465 O ASP A 41 0.650 7.296 3.513 1.00 0.30 O ATOM 466 CB ASP A 41 2.231 9.980 4.366 1.00 0.52 C ATOM 467 CG ASP A 41 2.333 11.371 4.994 1.00 1.16 C ATOM 468 OD1 ASP A 41 2.969 12.272 4.390 1.00 1.53 O ATOM 469 OD2 ASP A 41 1.914 11.540 6.166 1.00 2.48 O ATOM 0 H ASP A 41 -0.499 8.919 4.716 1.00 0.39 H new ATOM 0 HA ASP A 41 0.933 10.420 2.679 1.00 0.42 H new ATOM 0 HB2 ASP A 41 2.252 9.244 5.170 1.00 0.52 H new ATOM 0 HB3 ASP A 41 3.123 9.817 3.761 1.00 0.52 H new ATOM 474 N VAL A 42 1.964 8.118 1.892 1.00 0.34 N ATOM 475 CA VAL A 42 2.403 6.840 1.313 1.00 0.35 C ATOM 476 C VAL A 42 3.848 6.908 0.806 1.00 0.40 C ATOM 477 O VAL A 42 4.354 7.973 0.439 1.00 0.50 O ATOM 478 CB VAL A 42 1.483 6.385 0.158 1.00 0.50 C ATOM 479 CG1 VAL A 42 0.048 6.136 0.631 1.00 0.93 C ATOM 480 CG2 VAL A 42 1.429 7.336 -1.049 1.00 0.61 C ATOM 0 H VAL A 42 2.345 8.922 1.394 1.00 0.34 H new ATOM 0 HA VAL A 42 2.346 6.110 2.120 1.00 0.35 H new ATOM 0 HB VAL A 42 1.948 5.458 -0.177 1.00 0.50 H new ATOM 0 HG11 VAL A 42 -0.563 5.818 -0.213 1.00 0.93 H new ATOM 0 HG12 VAL A 42 0.046 5.357 1.394 1.00 0.93 H new ATOM 0 HG13 VAL A 42 -0.362 7.055 1.050 1.00 0.93 H new ATOM 0 HG21 VAL A 42 0.757 6.928 -1.804 1.00 0.61 H new ATOM 0 HG22 VAL A 42 1.064 8.311 -0.728 1.00 0.61 H new ATOM 0 HG23 VAL A 42 2.428 7.444 -1.472 1.00 0.61 H new ATOM 490 N GLU A 43 4.523 5.765 0.732 1.00 0.41 N ATOM 491 CA GLU A 43 5.760 5.562 0.001 1.00 0.56 C ATOM 492 C GLU A 43 5.785 4.151 -0.609 1.00 0.63 C ATOM 493 O GLU A 43 5.349 3.184 0.014 1.00 0.82 O ATOM 494 CB GLU A 43 6.905 5.798 0.969 1.00 0.61 C ATOM 495 CG GLU A 43 8.267 5.625 0.323 1.00 0.79 C ATOM 496 CD GLU A 43 8.622 6.690 -0.726 1.00 2.50 C ATOM 497 OE1 GLU A 43 8.062 6.650 -1.844 1.00 4.09 O ATOM 498 OE2 GLU A 43 9.456 7.588 -0.452 1.00 2.96 O ATOM 0 H GLU A 43 4.204 4.919 1.203 1.00 0.41 H new ATOM 0 HA GLU A 43 5.852 6.259 -0.832 1.00 0.56 H new ATOM 0 HB2 GLU A 43 6.827 6.805 1.378 1.00 0.61 H new ATOM 0 HB3 GLU A 43 6.815 5.106 1.807 1.00 0.61 H new ATOM 0 HG2 GLU A 43 9.028 5.636 1.103 1.00 0.79 H new ATOM 0 HG3 GLU A 43 8.308 4.643 -0.148 1.00 0.79 H new ATOM 505 N VAL A 44 6.329 4.014 -1.818 1.00 0.47 N ATOM 506 CA VAL A 44 6.587 2.712 -2.454 1.00 0.36 C ATOM 507 C VAL A 44 8.074 2.416 -2.505 1.00 0.32 C ATOM 508 O VAL A 44 8.892 3.263 -2.863 1.00 0.41 O ATOM 509 CB VAL A 44 5.898 2.599 -3.826 1.00 0.47 C ATOM 510 CG1 VAL A 44 6.475 1.527 -4.753 1.00 1.41 C ATOM 511 CG2 VAL A 44 4.439 2.199 -3.615 1.00 1.56 C ATOM 0 H VAL A 44 6.608 4.809 -2.393 1.00 0.47 H new ATOM 0 HA VAL A 44 6.137 1.937 -1.834 1.00 0.36 H new ATOM 0 HB VAL A 44 6.041 3.574 -4.291 1.00 0.47 H new ATOM 0 HG11 VAL A 44 5.924 1.524 -5.694 1.00 1.41 H new ATOM 0 HG12 VAL A 44 7.526 1.742 -4.948 1.00 1.41 H new ATOM 0 HG13 VAL A 44 6.387 0.550 -4.278 1.00 1.41 H new ATOM 0 HG21 VAL A 44 3.941 2.116 -4.581 1.00 1.56 H new ATOM 0 HG22 VAL A 44 4.396 1.239 -3.101 1.00 1.56 H new ATOM 0 HG23 VAL A 44 3.938 2.956 -3.012 1.00 1.56 H new ATOM 521 N HIS A 45 8.408 1.173 -2.171 1.00 0.35 N ATOM 522 CA HIS A 45 9.735 0.605 -2.340 1.00 0.35 C ATOM 523 C HIS A 45 9.670 -0.572 -3.313 1.00 0.36 C ATOM 524 O HIS A 45 9.609 -1.731 -2.909 1.00 0.36 O ATOM 525 CB HIS A 45 10.288 0.174 -0.975 1.00 0.43 C ATOM 526 CG HIS A 45 10.667 1.293 -0.039 1.00 0.49 C ATOM 527 ND1 HIS A 45 11.942 1.550 0.401 1.00 0.65 N ATOM 528 CD2 HIS A 45 9.845 2.202 0.574 1.00 0.54 C ATOM 529 CE1 HIS A 45 11.903 2.589 1.244 1.00 0.73 C ATOM 530 NE2 HIS A 45 10.642 3.033 1.378 1.00 0.66 N ATOM 0 H HIS A 45 7.741 0.517 -1.764 1.00 0.35 H new ATOM 0 HA HIS A 45 10.409 1.353 -2.758 1.00 0.35 H new ATOM 0 HB2 HIS A 45 9.542 -0.450 -0.482 1.00 0.43 H new ATOM 0 HB3 HIS A 45 11.167 -0.450 -1.140 1.00 0.43 H new ATOM 0 HD2 HIS A 45 8.773 2.268 0.459 1.00 0.54 H new ATOM 0 HE1 HIS A 45 12.762 3.010 1.745 1.00 0.73 H new ATOM 0 HE2 HIS A 45 10.327 3.817 1.949 1.00 0.66 H new ATOM 538 N LEU A 46 9.727 -0.276 -4.611 1.00 0.42 N ATOM 539 CA LEU A 46 9.873 -1.271 -5.675 1.00 0.42 C ATOM 540 C LEU A 46 11.138 -2.124 -5.458 1.00 0.37 C ATOM 541 O LEU A 46 11.127 -3.338 -5.662 1.00 0.42 O ATOM 542 CB LEU A 46 9.926 -0.486 -7.000 1.00 0.54 C ATOM 543 CG LEU A 46 9.733 -1.271 -8.307 1.00 0.74 C ATOM 544 CD1 LEU A 46 10.936 -2.123 -8.701 1.00 1.27 C ATOM 545 CD2 LEU A 46 8.469 -2.134 -8.265 1.00 1.12 C ATOM 0 H LEU A 46 9.672 0.681 -4.960 1.00 0.42 H new ATOM 0 HA LEU A 46 9.039 -1.973 -5.684 1.00 0.42 H new ATOM 0 HB2 LEU A 46 9.162 0.290 -6.960 1.00 0.54 H new ATOM 0 HB3 LEU A 46 10.891 0.019 -7.052 1.00 0.54 H new ATOM 0 HG LEU A 46 9.623 -0.510 -9.079 1.00 0.74 H new ATOM 0 HD11 LEU A 46 10.722 -2.646 -9.633 1.00 1.27 H new ATOM 0 HD12 LEU A 46 11.807 -1.482 -8.836 1.00 1.27 H new ATOM 0 HD13 LEU A 46 11.139 -2.851 -7.915 1.00 1.27 H new ATOM 0 HD21 LEU A 46 8.366 -2.674 -9.206 1.00 1.12 H new ATOM 0 HD22 LEU A 46 8.542 -2.847 -7.444 1.00 1.12 H new ATOM 0 HD23 LEU A 46 7.598 -1.496 -8.115 1.00 1.12 H new ATOM 557 N GLU A 47 12.190 -1.500 -4.925 1.00 0.41 N ATOM 558 CA GLU A 47 13.451 -2.135 -4.508 1.00 0.51 C ATOM 559 C GLU A 47 13.264 -3.278 -3.496 1.00 0.52 C ATOM 560 O GLU A 47 14.037 -4.241 -3.506 1.00 0.77 O ATOM 561 CB GLU A 47 14.368 -1.051 -3.914 1.00 0.86 C ATOM 562 CG GLU A 47 14.890 -0.066 -4.972 1.00 1.21 C ATOM 563 CD GLU A 47 15.307 1.262 -4.335 1.00 2.29 C ATOM 564 OE1 GLU A 47 14.429 2.130 -4.114 1.00 3.73 O ATOM 565 OE2 GLU A 47 16.514 1.467 -4.059 1.00 2.47 O ATOM 0 H GLU A 47 12.191 -0.493 -4.763 1.00 0.41 H new ATOM 0 HA GLU A 47 13.896 -2.591 -5.392 1.00 0.51 H new ATOM 0 HB2 GLU A 47 13.822 -0.499 -3.149 1.00 0.86 H new ATOM 0 HB3 GLU A 47 15.214 -1.528 -3.420 1.00 0.86 H new ATOM 0 HG2 GLU A 47 15.741 -0.505 -5.493 1.00 1.21 H new ATOM 0 HG3 GLU A 47 14.117 0.113 -5.719 1.00 1.21 H new ATOM 572 N ASP A 48 12.229 -3.218 -2.657 1.00 0.39 N ATOM 573 CA ASP A 48 11.836 -4.270 -1.724 1.00 0.37 C ATOM 574 C ASP A 48 10.564 -5.031 -2.177 1.00 0.31 C ATOM 575 O ASP A 48 10.191 -6.030 -1.561 1.00 0.39 O ATOM 576 CB ASP A 48 11.626 -3.600 -0.350 1.00 0.50 C ATOM 577 CG ASP A 48 12.815 -3.720 0.609 1.00 1.10 C ATOM 578 OD1 ASP A 48 13.364 -4.838 0.773 1.00 1.53 O ATOM 579 OD2 ASP A 48 13.189 -2.702 1.240 1.00 2.25 O ATOM 0 H ASP A 48 11.619 -2.402 -2.608 1.00 0.39 H new ATOM 0 HA ASP A 48 12.620 -5.026 -1.677 1.00 0.37 H new ATOM 0 HB2 ASP A 48 11.407 -2.544 -0.506 1.00 0.50 H new ATOM 0 HB3 ASP A 48 10.749 -4.041 0.124 1.00 0.50 H new ATOM 584 N GLN A 49 9.873 -4.553 -3.221 1.00 0.31 N ATOM 585 CA GLN A 49 8.452 -4.820 -3.509 1.00 0.31 C ATOM 586 C GLN A 49 7.530 -4.564 -2.297 1.00 0.29 C ATOM 587 O GLN A 49 6.573 -5.301 -2.046 1.00 0.36 O ATOM 588 CB GLN A 49 8.254 -6.216 -4.107 1.00 0.35 C ATOM 589 CG GLN A 49 9.132 -6.608 -5.276 1.00 0.41 C ATOM 590 CD GLN A 49 8.761 -7.995 -5.761 1.00 2.04 C ATOM 591 OE1 GLN A 49 9.172 -9.003 -5.198 1.00 2.20 O ATOM 592 NE2 GLN A 49 7.904 -8.091 -6.746 1.00 3.76 N ATOM 0 H GLN A 49 10.304 -3.945 -3.918 1.00 0.31 H new ATOM 0 HA GLN A 49 8.148 -4.096 -4.265 1.00 0.31 H new ATOM 0 HB2 GLN A 49 8.406 -6.947 -3.313 1.00 0.35 H new ATOM 0 HB3 GLN A 49 7.215 -6.302 -4.424 1.00 0.35 H new ATOM 0 HG2 GLN A 49 9.016 -5.888 -6.086 1.00 0.41 H new ATOM 0 HG3 GLN A 49 10.180 -6.586 -4.977 1.00 0.41 H new ATOM 0 HE21 GLN A 49 7.565 -7.249 -7.211 1.00 3.76 H new ATOM 0 HE22 GLN A 49 7.575 -9.008 -7.048 1.00 3.76 H new ATOM 601 N MET A 50 7.842 -3.519 -1.528 1.00 0.29 N ATOM 602 CA MET A 50 7.151 -3.137 -0.297 1.00 0.28 C ATOM 603 C MET A 50 6.414 -1.801 -0.449 1.00 0.27 C ATOM 604 O MET A 50 6.785 -0.951 -1.262 1.00 0.31 O ATOM 605 CB MET A 50 8.153 -3.125 0.869 1.00 0.34 C ATOM 606 CG MET A 50 7.546 -2.731 2.225 1.00 0.43 C ATOM 607 SD MET A 50 8.428 -3.351 3.679 1.00 0.91 S ATOM 608 CE MET A 50 7.823 -5.064 3.677 1.00 0.67 C ATOM 0 H MET A 50 8.613 -2.892 -1.756 1.00 0.29 H new ATOM 0 HA MET A 50 6.381 -3.877 -0.079 1.00 0.28 H new ATOM 0 HB2 MET A 50 8.599 -4.115 0.959 1.00 0.34 H new ATOM 0 HB3 MET A 50 8.960 -2.432 0.631 1.00 0.34 H new ATOM 0 HG2 MET A 50 7.504 -1.643 2.283 1.00 0.43 H new ATOM 0 HG3 MET A 50 6.518 -3.092 2.263 1.00 0.43 H new ATOM 0 HE1 MET A 50 8.264 -5.607 4.513 1.00 0.67 H new ATOM 0 HE2 MET A 50 6.737 -5.067 3.775 1.00 0.67 H new ATOM 0 HE3 MET A 50 8.104 -5.548 2.741 1.00 0.67 H new ATOM 618 N VAL A 51 5.378 -1.598 0.362 1.00 0.29 N ATOM 619 CA VAL A 51 4.556 -0.386 0.395 1.00 0.32 C ATOM 620 C VAL A 51 4.374 0.099 1.829 1.00 0.33 C ATOM 621 O VAL A 51 4.044 -0.699 2.703 1.00 0.50 O ATOM 622 CB VAL A 51 3.172 -0.632 -0.231 1.00 0.49 C ATOM 623 CG1 VAL A 51 2.607 0.703 -0.690 1.00 0.70 C ATOM 624 CG2 VAL A 51 3.191 -1.543 -1.460 1.00 0.75 C ATOM 0 H VAL A 51 5.075 -2.297 1.040 1.00 0.29 H new ATOM 0 HA VAL A 51 5.076 0.375 -0.186 1.00 0.32 H new ATOM 0 HB VAL A 51 2.576 -1.120 0.540 1.00 0.49 H new ATOM 0 HG11 VAL A 51 1.625 0.548 -1.137 1.00 0.70 H new ATOM 0 HG12 VAL A 51 2.515 1.372 0.165 1.00 0.70 H new ATOM 0 HG13 VAL A 51 3.276 1.147 -1.428 1.00 0.70 H new ATOM 0 HG21 VAL A 51 2.176 -1.664 -1.839 1.00 0.75 H new ATOM 0 HG22 VAL A 51 3.816 -1.097 -2.234 1.00 0.75 H new ATOM 0 HG23 VAL A 51 3.594 -2.517 -1.184 1.00 0.75 H new ATOM 634 N LEU A 52 4.548 1.401 2.054 1.00 0.33 N ATOM 635 CA LEU A 52 4.224 2.099 3.294 1.00 0.32 C ATOM 636 C LEU A 52 2.964 2.931 3.090 1.00 0.31 C ATOM 637 O LEU A 52 2.876 3.718 2.147 1.00 0.34 O ATOM 638 CB LEU A 52 5.383 3.005 3.740 1.00 0.34 C ATOM 639 CG LEU A 52 6.615 2.225 4.242 1.00 0.35 C ATOM 640 CD1 LEU A 52 7.608 1.908 3.123 1.00 0.96 C ATOM 641 CD2 LEU A 52 7.372 3.025 5.301 1.00 0.95 C ATOM 0 H LEU A 52 4.936 2.024 1.345 1.00 0.33 H new ATOM 0 HA LEU A 52 4.056 1.358 4.076 1.00 0.32 H new ATOM 0 HB2 LEU A 52 5.680 3.639 2.905 1.00 0.34 H new ATOM 0 HB3 LEU A 52 5.033 3.666 4.533 1.00 0.34 H new ATOM 0 HG LEU A 52 6.224 1.295 4.654 1.00 0.35 H new ATOM 0 HD11 LEU A 52 8.455 1.358 3.533 1.00 0.96 H new ATOM 0 HD12 LEU A 52 7.117 1.302 2.362 1.00 0.96 H new ATOM 0 HD13 LEU A 52 7.961 2.837 2.676 1.00 0.96 H new ATOM 0 HD21 LEU A 52 8.237 2.454 5.639 1.00 0.95 H new ATOM 0 HD22 LEU A 52 7.706 3.970 4.873 1.00 0.95 H new ATOM 0 HD23 LEU A 52 6.714 3.223 6.147 1.00 0.95 H new ATOM 653 N VAL A 53 1.996 2.758 3.984 1.00 0.25 N ATOM 654 CA VAL A 53 0.699 3.429 3.944 1.00 0.23 C ATOM 655 C VAL A 53 0.401 3.959 5.342 1.00 0.21 C ATOM 656 O VAL A 53 0.112 3.191 6.259 1.00 0.20 O ATOM 657 CB VAL A 53 -0.392 2.477 3.409 1.00 0.21 C ATOM 658 CG1 VAL A 53 -1.719 3.223 3.225 1.00 0.22 C ATOM 659 CG2 VAL A 53 -0.017 1.853 2.057 1.00 0.28 C ATOM 0 H VAL A 53 2.094 2.129 4.781 1.00 0.25 H new ATOM 0 HA VAL A 53 0.716 4.271 3.253 1.00 0.23 H new ATOM 0 HB VAL A 53 -0.489 1.685 4.152 1.00 0.21 H new ATOM 0 HG11 VAL A 53 -2.474 2.534 2.847 1.00 0.22 H new ATOM 0 HG12 VAL A 53 -2.044 3.628 4.183 1.00 0.22 H new ATOM 0 HG13 VAL A 53 -1.583 4.038 2.514 1.00 0.22 H new ATOM 0 HG21 VAL A 53 -0.818 1.192 1.726 1.00 0.28 H new ATOM 0 HG22 VAL A 53 0.130 2.643 1.320 1.00 0.28 H new ATOM 0 HG23 VAL A 53 0.904 1.281 2.164 1.00 0.28 H new ATOM 669 N HIS A 54 0.515 5.274 5.509 1.00 0.24 N ATOM 670 CA HIS A 54 0.255 5.996 6.756 1.00 0.24 C ATOM 671 C HIS A 54 -1.253 6.314 6.837 1.00 0.27 C ATOM 672 O HIS A 54 -1.735 7.235 6.169 1.00 0.32 O ATOM 673 CB HIS A 54 1.143 7.253 6.791 1.00 0.27 C ATOM 674 CG HIS A 54 2.626 6.976 6.618 1.00 0.28 C ATOM 675 ND1 HIS A 54 3.575 6.983 7.614 1.00 0.48 N ATOM 676 CD2 HIS A 54 3.282 6.630 5.465 1.00 0.28 C ATOM 677 CE1 HIS A 54 4.752 6.614 7.087 1.00 0.58 C ATOM 678 NE2 HIS A 54 4.638 6.431 5.760 1.00 0.40 N ATOM 0 H HIS A 54 0.802 5.892 4.750 1.00 0.24 H new ATOM 0 HA HIS A 54 0.506 5.398 7.632 1.00 0.24 H new ATOM 0 HB2 HIS A 54 0.819 7.935 6.005 1.00 0.27 H new ATOM 0 HB3 HIS A 54 0.989 7.766 7.741 1.00 0.27 H new ATOM 0 HD2 HIS A 54 2.829 6.528 4.490 1.00 0.28 H new ATOM 0 HE1 HIS A 54 5.664 6.482 7.650 1.00 0.58 H new ATOM 0 HE2 HIS A 54 5.383 6.196 5.104 1.00 0.40 H new ATOM 686 N THR A 55 -2.028 5.517 7.581 1.00 0.26 N ATOM 687 CA THR A 55 -3.500 5.481 7.480 1.00 0.27 C ATOM 688 C THR A 55 -4.218 5.086 8.782 1.00 0.29 C ATOM 689 O THR A 55 -3.680 4.358 9.619 1.00 0.31 O ATOM 690 CB THR A 55 -3.923 4.525 6.350 1.00 0.28 C ATOM 691 OG1 THR A 55 -5.318 4.525 6.179 1.00 0.32 O ATOM 692 CG2 THR A 55 -3.529 3.063 6.571 1.00 0.29 C ATOM 0 H THR A 55 -1.653 4.872 8.277 1.00 0.26 H new ATOM 0 HA THR A 55 -3.807 6.504 7.263 1.00 0.27 H new ATOM 0 HB THR A 55 -3.393 4.910 5.479 1.00 0.28 H new ATOM 0 HG1 THR A 55 -5.661 5.436 6.291 1.00 0.32 H new ATOM 0 HG21 THR A 55 -3.867 2.463 5.726 1.00 0.29 H new ATOM 0 HG22 THR A 55 -2.445 2.988 6.659 1.00 0.29 H new ATOM 0 HG23 THR A 55 -3.994 2.695 7.486 1.00 0.29 H new ATOM 700 N THR A 56 -5.470 5.534 8.939 1.00 0.30 N ATOM 701 CA THR A 56 -6.390 5.123 10.020 1.00 0.32 C ATOM 702 C THR A 56 -7.150 3.818 9.730 1.00 0.34 C ATOM 703 O THR A 56 -7.869 3.317 10.596 1.00 0.39 O ATOM 704 CB THR A 56 -7.418 6.227 10.324 1.00 0.37 C ATOM 705 OG1 THR A 56 -8.240 6.407 9.192 1.00 0.45 O ATOM 706 CG2 THR A 56 -6.778 7.577 10.636 1.00 0.39 C ATOM 0 H THR A 56 -5.888 6.212 8.302 1.00 0.30 H new ATOM 0 HA THR A 56 -5.746 4.948 10.882 1.00 0.32 H new ATOM 0 HB THR A 56 -7.975 5.902 11.203 1.00 0.37 H new ATOM 0 HG1 THR A 56 -8.900 7.108 9.375 1.00 0.45 H new ATOM 0 HG21 THR A 56 -7.558 8.311 10.841 1.00 0.39 H new ATOM 0 HG22 THR A 56 -6.132 7.480 11.509 1.00 0.39 H new ATOM 0 HG23 THR A 56 -6.187 7.905 9.781 1.00 0.39 H new ATOM 714 N LEU A 57 -7.023 3.258 8.521 1.00 0.37 N ATOM 715 CA LEU A 57 -7.729 2.046 8.088 1.00 0.43 C ATOM 716 C LEU A 57 -7.162 0.768 8.737 1.00 0.47 C ATOM 717 O LEU A 57 -5.949 0.702 8.971 1.00 0.47 O ATOM 718 CB LEU A 57 -7.628 1.927 6.558 1.00 0.47 C ATOM 719 CG LEU A 57 -8.305 3.049 5.751 1.00 0.48 C ATOM 720 CD1 LEU A 57 -8.004 2.814 4.271 1.00 0.60 C ATOM 721 CD2 LEU A 57 -9.822 3.068 5.957 1.00 0.61 C ATOM 0 H LEU A 57 -6.413 3.644 7.800 1.00 0.37 H new ATOM 0 HA LEU A 57 -8.768 2.138 8.405 1.00 0.43 H new ATOM 0 HB2 LEU A 57 -6.573 1.894 6.284 1.00 0.47 H new ATOM 0 HB3 LEU A 57 -8.065 0.975 6.257 1.00 0.47 H new ATOM 0 HG LEU A 57 -7.915 4.008 6.092 1.00 0.48 H new ATOM 0 HD11 LEU A 57 -8.473 3.597 3.675 1.00 0.60 H new ATOM 0 HD12 LEU A 57 -6.926 2.834 4.111 1.00 0.60 H new ATOM 0 HD13 LEU A 57 -8.398 1.843 3.969 1.00 0.60 H new ATOM 0 HD21 LEU A 57 -10.259 3.875 5.369 1.00 0.61 H new ATOM 0 HD22 LEU A 57 -10.245 2.116 5.636 1.00 0.61 H new ATOM 0 HD23 LEU A 57 -10.044 3.227 7.012 1.00 0.61 H new ATOM 733 N PRO A 58 -7.972 -0.292 8.951 1.00 0.55 N ATOM 734 CA PRO A 58 -7.468 -1.618 9.287 1.00 0.52 C ATOM 735 C PRO A 58 -6.835 -2.221 8.033 1.00 0.32 C ATOM 736 O PRO A 58 -7.384 -2.092 6.933 1.00 0.31 O ATOM 737 CB PRO A 58 -8.685 -2.448 9.744 1.00 0.68 C ATOM 738 CG PRO A 58 -9.829 -1.433 9.816 1.00 0.84 C ATOM 739 CD PRO A 58 -9.408 -0.406 8.768 1.00 0.70 C ATOM 0 HA PRO A 58 -6.715 -1.594 10.075 1.00 0.52 H new ATOM 0 HB2 PRO A 58 -8.908 -3.249 9.039 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -8.507 -2.916 10.712 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.792 -1.886 9.580 1.00 0.84 H new ATOM 0 HG3 PRO A 58 -9.920 -0.990 10.808 1.00 0.84 H new ATOM 0 HD2 PRO A 58 -9.658 -0.738 7.760 1.00 0.70 H new ATOM 0 HD3 PRO A 58 -9.908 0.550 8.922 1.00 0.70 H new ATOM 747 N SER A 59 -5.738 -2.964 8.171 1.00 0.34 N ATOM 748 CA SER A 59 -5.101 -3.647 7.030 1.00 0.36 C ATOM 749 C SER A 59 -6.025 -4.626 6.300 1.00 0.32 C ATOM 750 O SER A 59 -5.777 -4.917 5.136 1.00 0.46 O ATOM 751 CB SER A 59 -3.812 -4.361 7.440 1.00 0.52 C ATOM 752 OG SER A 59 -3.964 -5.000 8.693 1.00 1.12 O ATOM 0 H SER A 59 -5.265 -3.113 9.062 1.00 0.34 H new ATOM 0 HA SER A 59 -4.862 -2.848 6.328 1.00 0.36 H new ATOM 0 HB2 SER A 59 -3.543 -5.097 6.682 1.00 0.52 H new ATOM 0 HB3 SER A 59 -2.994 -3.642 7.491 1.00 0.52 H new ATOM 0 HG SER A 59 -3.145 -4.888 9.219 1.00 1.12 H new ATOM 758 N GLN A 60 -7.129 -5.052 6.920 1.00 0.30 N ATOM 759 CA GLN A 60 -8.206 -5.803 6.268 1.00 0.44 C ATOM 760 C GLN A 60 -8.835 -5.056 5.074 1.00 0.46 C ATOM 761 O GLN A 60 -9.202 -5.701 4.086 1.00 0.63 O ATOM 762 CB GLN A 60 -9.316 -6.090 7.288 1.00 0.59 C ATOM 763 CG GLN A 60 -8.883 -6.843 8.558 1.00 0.76 C ATOM 764 CD GLN A 60 -10.047 -7.022 9.533 1.00 1.69 C ATOM 765 OE1 GLN A 60 -11.211 -6.802 9.210 1.00 3.05 O ATOM 766 NE2 GLN A 60 -9.790 -7.387 10.771 1.00 2.09 N ATOM 0 H GLN A 60 -7.303 -4.881 7.910 1.00 0.30 H new ATOM 0 HA GLN A 60 -7.757 -6.720 5.888 1.00 0.44 H new ATOM 0 HB2 GLN A 60 -9.763 -5.142 7.586 1.00 0.59 H new ATOM 0 HB3 GLN A 60 -10.096 -6.669 6.794 1.00 0.59 H new ATOM 0 HG2 GLN A 60 -8.484 -7.820 8.284 1.00 0.76 H new ATOM 0 HG3 GLN A 60 -8.078 -6.296 9.049 1.00 0.76 H new ATOM 0 HE21 GLN A 60 -8.829 -7.574 11.059 1.00 2.09 H new ATOM 0 HE22 GLN A 60 -10.551 -7.483 11.443 1.00 2.09 H new ATOM 775 N GLU A 61 -8.946 -3.718 5.127 1.00 0.34 N ATOM 776 CA GLU A 61 -9.357 -2.928 3.957 1.00 0.34 C ATOM 777 C GLU A 61 -8.177 -2.626 3.056 1.00 0.35 C ATOM 778 O GLU A 61 -8.283 -2.780 1.847 1.00 0.47 O ATOM 779 CB GLU A 61 -10.006 -1.607 4.320 1.00 0.57 C ATOM 780 CG GLU A 61 -11.186 -1.800 5.247 1.00 1.66 C ATOM 781 CD GLU A 61 -12.197 -2.881 4.837 1.00 3.12 C ATOM 782 OE1 GLU A 61 -12.990 -2.642 3.898 1.00 3.60 O ATOM 783 OE2 GLU A 61 -12.197 -3.992 5.427 1.00 4.81 O ATOM 0 H GLU A 61 -8.758 -3.165 5.963 1.00 0.34 H new ATOM 0 HA GLU A 61 -10.091 -3.549 3.444 1.00 0.34 H new ATOM 0 HB2 GLU A 61 -9.271 -0.959 4.797 1.00 0.57 H new ATOM 0 HB3 GLU A 61 -10.335 -1.101 3.412 1.00 0.57 H new ATOM 0 HG2 GLU A 61 -10.807 -2.044 6.239 1.00 1.66 H new ATOM 0 HG3 GLU A 61 -11.714 -0.850 5.332 1.00 1.66 H new ATOM 790 N VAL A 62 -7.040 -2.212 3.622 1.00 0.28 N ATOM 791 CA VAL A 62 -5.897 -1.764 2.831 1.00 0.25 C ATOM 792 C VAL A 62 -5.362 -2.904 1.969 1.00 0.23 C ATOM 793 O VAL A 62 -5.079 -2.669 0.803 1.00 0.24 O ATOM 794 CB VAL A 62 -4.792 -1.161 3.715 1.00 0.23 C ATOM 795 CG1 VAL A 62 -3.840 -0.324 2.864 1.00 0.27 C ATOM 796 CG2 VAL A 62 -5.309 -0.245 4.825 1.00 0.30 C ATOM 0 H VAL A 62 -6.889 -2.179 4.630 1.00 0.28 H new ATOM 0 HA VAL A 62 -6.241 -0.969 2.169 1.00 0.25 H new ATOM 0 HB VAL A 62 -4.301 -2.018 4.176 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -3.061 0.099 3.498 1.00 0.27 H new ATOM 0 HG12 VAL A 62 -3.384 -0.955 2.101 1.00 0.27 H new ATOM 0 HG13 VAL A 62 -4.394 0.482 2.384 1.00 0.27 H new ATOM 0 HG21 VAL A 62 -4.467 0.138 5.402 1.00 0.30 H new ATOM 0 HG22 VAL A 62 -5.856 0.588 4.384 1.00 0.30 H new ATOM 0 HG23 VAL A 62 -5.973 -0.808 5.482 1.00 0.30 H new ATOM 806 N GLN A 63 -5.344 -4.146 2.462 1.00 0.23 N ATOM 807 CA GLN A 63 -5.048 -5.331 1.653 1.00 0.25 C ATOM 808 C GLN A 63 -5.996 -5.465 0.458 1.00 0.31 C ATOM 809 O GLN A 63 -5.537 -5.745 -0.644 1.00 0.37 O ATOM 810 CB GLN A 63 -5.128 -6.579 2.548 1.00 0.27 C ATOM 811 CG GLN A 63 -4.849 -7.878 1.778 1.00 0.37 C ATOM 812 CD GLN A 63 -4.749 -9.090 2.706 1.00 0.65 C ATOM 813 OE1 GLN A 63 -5.391 -9.180 3.751 1.00 0.98 O ATOM 814 NE2 GLN A 63 -3.914 -10.053 2.392 1.00 1.86 N ATOM 0 H GLN A 63 -5.536 -4.358 3.441 1.00 0.23 H new ATOM 0 HA GLN A 63 -4.042 -5.227 1.246 1.00 0.25 H new ATOM 0 HB2 GLN A 63 -4.411 -6.483 3.363 1.00 0.27 H new ATOM 0 HB3 GLN A 63 -6.118 -6.635 3.000 1.00 0.27 H new ATOM 0 HG2 GLN A 63 -5.643 -8.044 1.050 1.00 0.37 H new ATOM 0 HG3 GLN A 63 -3.920 -7.774 1.218 1.00 0.37 H new ATOM 0 HE21 GLN A 63 -3.372 -9.997 1.530 1.00 1.86 H new ATOM 0 HE22 GLN A 63 -3.807 -10.857 3.010 1.00 1.86 H new ATOM 823 N ALA A 64 -7.294 -5.219 0.648 1.00 0.35 N ATOM 824 CA ALA A 64 -8.290 -5.326 -0.409 1.00 0.44 C ATOM 825 C ALA A 64 -8.221 -4.124 -1.383 1.00 0.43 C ATOM 826 O ALA A 64 -8.529 -4.246 -2.573 1.00 0.50 O ATOM 827 CB ALA A 64 -9.672 -5.429 0.264 1.00 0.52 C ATOM 0 H ALA A 64 -7.682 -4.938 1.549 1.00 0.35 H new ATOM 0 HA ALA A 64 -8.099 -6.213 -1.014 1.00 0.44 H new ATOM 0 HB1 ALA A 64 -10.444 -5.511 -0.501 1.00 0.52 H new ATOM 0 HB2 ALA A 64 -9.700 -6.311 0.904 1.00 0.52 H new ATOM 0 HB3 ALA A 64 -9.851 -4.538 0.866 1.00 0.52 H new ATOM 833 N LEU A 65 -7.787 -2.960 -0.889 1.00 0.38 N ATOM 834 CA LEU A 65 -7.546 -1.734 -1.648 1.00 0.42 C ATOM 835 C LEU A 65 -6.296 -1.858 -2.537 1.00 0.39 C ATOM 836 O LEU A 65 -6.332 -1.525 -3.721 1.00 0.48 O ATOM 837 CB LEU A 65 -7.477 -0.554 -0.668 1.00 0.49 C ATOM 838 CG LEU A 65 -8.864 -0.174 -0.104 1.00 0.64 C ATOM 839 CD1 LEU A 65 -8.734 0.648 1.175 1.00 0.87 C ATOM 840 CD2 LEU A 65 -9.673 0.638 -1.117 1.00 0.71 C ATOM 0 H LEU A 65 -7.584 -2.844 0.104 1.00 0.38 H new ATOM 0 HA LEU A 65 -8.370 -1.555 -2.338 1.00 0.42 H new ATOM 0 HB2 LEU A 65 -6.810 -0.808 0.156 1.00 0.49 H new ATOM 0 HB3 LEU A 65 -7.044 0.309 -1.173 1.00 0.49 H new ATOM 0 HG LEU A 65 -9.380 -1.110 0.111 1.00 0.64 H new ATOM 0 HD11 LEU A 65 -9.727 0.900 1.548 1.00 0.87 H new ATOM 0 HD12 LEU A 65 -8.200 0.068 1.928 1.00 0.87 H new ATOM 0 HD13 LEU A 65 -8.182 1.564 0.964 1.00 0.87 H new ATOM 0 HD21 LEU A 65 -10.644 0.890 -0.690 1.00 0.71 H new ATOM 0 HD22 LEU A 65 -9.136 1.554 -1.361 1.00 0.71 H new ATOM 0 HD23 LEU A 65 -9.817 0.050 -2.023 1.00 0.71 H new ATOM 852 N LEU A 66 -5.224 -2.421 -1.979 1.00 0.31 N ATOM 853 CA LEU A 66 -3.999 -2.842 -2.667 1.00 0.32 C ATOM 854 C LEU A 66 -4.294 -3.941 -3.705 1.00 0.37 C ATOM 855 O LEU A 66 -3.883 -3.815 -4.854 1.00 0.46 O ATOM 856 CB LEU A 66 -2.980 -3.324 -1.612 1.00 0.30 C ATOM 857 CG LEU A 66 -2.390 -2.202 -0.731 1.00 0.28 C ATOM 858 CD1 LEU A 66 -1.868 -2.759 0.597 1.00 0.26 C ATOM 859 CD2 LEU A 66 -1.233 -1.499 -1.444 1.00 0.32 C ATOM 0 H LEU A 66 -5.183 -2.607 -0.977 1.00 0.31 H new ATOM 0 HA LEU A 66 -3.580 -1.998 -3.214 1.00 0.32 H new ATOM 0 HB2 LEU A 66 -3.463 -4.058 -0.967 1.00 0.30 H new ATOM 0 HB3 LEU A 66 -2.163 -3.836 -2.121 1.00 0.30 H new ATOM 0 HG LEU A 66 -3.194 -1.492 -0.540 1.00 0.28 H new ATOM 0 HD11 LEU A 66 -1.458 -1.946 1.197 1.00 0.26 H new ATOM 0 HD12 LEU A 66 -2.686 -3.233 1.139 1.00 0.26 H new ATOM 0 HD13 LEU A 66 -1.088 -3.494 0.401 1.00 0.26 H new ATOM 0 HD21 LEU A 66 -0.834 -0.713 -0.803 1.00 0.32 H new ATOM 0 HD22 LEU A 66 -0.447 -2.222 -1.663 1.00 0.32 H new ATOM 0 HD23 LEU A 66 -1.592 -1.061 -2.375 1.00 0.32 H new ATOM 871 N GLU A 67 -5.081 -4.964 -3.360 1.00 0.36 N ATOM 872 CA GLU A 67 -5.563 -6.001 -4.293 1.00 0.48 C ATOM 873 C GLU A 67 -6.386 -5.429 -5.469 1.00 0.49 C ATOM 874 O GLU A 67 -6.386 -6.005 -6.564 1.00 0.61 O ATOM 875 CB GLU A 67 -6.373 -7.046 -3.497 1.00 0.64 C ATOM 876 CG GLU A 67 -5.527 -8.226 -2.979 1.00 0.55 C ATOM 877 CD GLU A 67 -6.015 -9.564 -3.548 1.00 1.36 C ATOM 878 OE1 GLU A 67 -5.980 -9.746 -4.790 1.00 2.66 O ATOM 879 OE2 GLU A 67 -6.440 -10.451 -2.765 1.00 1.84 O ATOM 0 H GLU A 67 -5.411 -5.102 -2.405 1.00 0.36 H new ATOM 0 HA GLU A 67 -4.694 -6.471 -4.753 1.00 0.48 H new ATOM 0 HB2 GLU A 67 -6.850 -6.554 -2.650 1.00 0.64 H new ATOM 0 HB3 GLU A 67 -7.171 -7.434 -4.131 1.00 0.64 H new ATOM 0 HG2 GLU A 67 -4.483 -8.073 -3.252 1.00 0.55 H new ATOM 0 HG3 GLU A 67 -5.571 -8.255 -1.890 1.00 0.55 H new ATOM 886 N GLY A 68 -6.996 -4.249 -5.295 1.00 0.47 N ATOM 887 CA GLY A 68 -7.647 -3.462 -6.352 1.00 0.56 C ATOM 888 C GLY A 68 -6.701 -2.945 -7.446 1.00 0.48 C ATOM 889 O GLY A 68 -7.163 -2.539 -8.512 1.00 0.58 O ATOM 0 H GLY A 68 -7.052 -3.799 -4.381 1.00 0.47 H new ATOM 0 HA2 GLY A 68 -8.419 -4.074 -6.818 1.00 0.56 H new ATOM 0 HA3 GLY A 68 -8.150 -2.610 -5.894 1.00 0.56 H new ATOM 893 N THR A 69 -5.381 -3.016 -7.237 1.00 0.38 N ATOM 894 CA THR A 69 -4.353 -2.736 -8.263 1.00 0.36 C ATOM 895 C THR A 69 -4.061 -3.944 -9.169 1.00 0.42 C ATOM 896 O THR A 69 -3.177 -3.865 -10.021 1.00 0.57 O ATOM 897 CB THR A 69 -3.062 -2.150 -7.653 1.00 0.38 C ATOM 898 OG1 THR A 69 -2.372 -3.076 -6.847 1.00 0.61 O ATOM 899 CG2 THR A 69 -3.374 -0.884 -6.861 1.00 0.65 C ATOM 0 H THR A 69 -4.983 -3.274 -6.334 1.00 0.38 H new ATOM 0 HA THR A 69 -4.780 -1.968 -8.908 1.00 0.36 H new ATOM 0 HB THR A 69 -2.403 -1.902 -8.485 1.00 0.38 H new ATOM 0 HG1 THR A 69 -2.960 -3.385 -6.127 1.00 0.61 H new ATOM 0 HG21 THR A 69 -2.453 -0.484 -6.437 1.00 0.65 H new ATOM 0 HG22 THR A 69 -3.822 -0.142 -7.522 1.00 0.65 H new ATOM 0 HG23 THR A 69 -4.070 -1.120 -6.057 1.00 0.65 H new ATOM 907 N GLY A 70 -4.799 -5.053 -9.017 1.00 0.44 N ATOM 908 CA GLY A 70 -4.709 -6.249 -9.870 1.00 0.53 C ATOM 909 C GLY A 70 -3.557 -7.199 -9.528 1.00 0.50 C ATOM 910 O GLY A 70 -3.044 -7.894 -10.411 1.00 0.62 O ATOM 0 H GLY A 70 -5.495 -5.146 -8.277 1.00 0.44 H new ATOM 0 HA2 GLY A 70 -5.647 -6.799 -9.800 1.00 0.53 H new ATOM 0 HA3 GLY A 70 -4.603 -5.931 -10.907 1.00 0.53 H new ATOM 914 N ARG A 71 -3.101 -7.173 -8.270 1.00 0.44 N ATOM 915 CA ARG A 71 -1.866 -7.776 -7.758 1.00 0.47 C ATOM 916 C ARG A 71 -2.115 -8.427 -6.399 1.00 0.42 C ATOM 917 O ARG A 71 -3.038 -8.038 -5.684 1.00 0.58 O ATOM 918 CB ARG A 71 -0.826 -6.652 -7.607 1.00 0.83 C ATOM 919 CG ARG A 71 -0.497 -6.011 -8.960 1.00 1.12 C ATOM 920 CD ARG A 71 0.346 -4.744 -8.822 1.00 0.86 C ATOM 921 NE ARG A 71 0.655 -4.198 -10.156 1.00 0.91 N ATOM 922 CZ ARG A 71 1.344 -4.811 -11.103 1.00 1.24 C ATOM 923 NH1 ARG A 71 2.095 -5.853 -10.895 1.00 2.63 N ATOM 924 NH2 ARG A 71 1.286 -4.399 -12.324 1.00 1.24 N ATOM 0 H ARG A 71 -3.621 -6.697 -7.533 1.00 0.44 H new ATOM 0 HA ARG A 71 -1.512 -8.545 -8.445 1.00 0.47 H new ATOM 0 HB2 ARG A 71 -1.206 -5.891 -6.925 1.00 0.83 H new ATOM 0 HB3 ARG A 71 0.084 -7.053 -7.162 1.00 0.83 H new ATOM 0 HG2 ARG A 71 0.037 -6.732 -9.579 1.00 1.12 H new ATOM 0 HG3 ARG A 71 -1.425 -5.771 -9.479 1.00 1.12 H new ATOM 0 HD2 ARG A 71 -0.191 -4.002 -8.232 1.00 0.86 H new ATOM 0 HD3 ARG A 71 1.270 -4.968 -8.288 1.00 0.86 H new ATOM 0 HE ARG A 71 0.306 -3.263 -10.367 1.00 0.91 H new ATOM 0 HH11 ARG A 71 2.177 -6.243 -9.956 1.00 2.63 H new ATOM 0 HH12 ARG A 71 2.601 -6.280 -11.671 1.00 2.63 H new ATOM 0 HH21 ARG A 71 0.706 -3.595 -12.564 1.00 1.24 H new ATOM 0 HH22 ARG A 71 1.820 -4.877 -13.049 1.00 1.24 H new ATOM 938 N GLN A 72 -1.243 -9.352 -6.004 1.00 0.34 N ATOM 939 CA GLN A 72 -1.164 -9.800 -4.613 1.00 0.37 C ATOM 940 C GLN A 72 -0.642 -8.693 -3.690 1.00 0.35 C ATOM 941 O GLN A 72 0.183 -7.857 -4.070 1.00 0.41 O ATOM 942 CB GLN A 72 -0.299 -11.066 -4.458 1.00 0.48 C ATOM 943 CG GLN A 72 -1.080 -12.389 -4.512 1.00 1.41 C ATOM 944 CD GLN A 72 -1.899 -12.591 -3.240 1.00 2.02 C ATOM 945 OE1 GLN A 72 -1.438 -13.128 -2.240 1.00 2.94 O ATOM 946 NE2 GLN A 72 -3.115 -12.103 -3.209 1.00 3.01 N ATOM 0 H GLN A 72 -0.578 -9.808 -6.629 1.00 0.34 H new ATOM 0 HA GLN A 72 -2.183 -10.048 -4.315 1.00 0.37 H new ATOM 0 HB2 GLN A 72 0.455 -11.073 -5.245 1.00 0.48 H new ATOM 0 HB3 GLN A 72 0.232 -11.012 -3.508 1.00 0.48 H new ATOM 0 HG2 GLN A 72 -1.741 -12.391 -5.379 1.00 1.41 H new ATOM 0 HG3 GLN A 72 -0.386 -13.220 -4.639 1.00 1.41 H new ATOM 0 HE21 GLN A 72 -3.506 -11.654 -4.038 1.00 3.01 H new ATOM 0 HE22 GLN A 72 -3.671 -12.172 -2.356 1.00 3.01 H new ATOM 955 N ALA A 73 -1.123 -8.771 -2.455 1.00 0.35 N ATOM 956 CA ALA A 73 -0.843 -7.888 -1.322 1.00 0.38 C ATOM 957 C ALA A 73 -0.946 -8.685 -0.010 1.00 0.47 C ATOM 958 O ALA A 73 -1.984 -9.282 0.289 1.00 0.59 O ATOM 959 CB ALA A 73 -1.852 -6.730 -1.349 1.00 0.45 C ATOM 0 H ALA A 73 -1.773 -9.513 -2.196 1.00 0.35 H new ATOM 0 HA ALA A 73 0.167 -7.483 -1.389 1.00 0.38 H new ATOM 0 HB1 ALA A 73 -1.659 -6.060 -0.511 1.00 0.45 H new ATOM 0 HB2 ALA A 73 -1.750 -6.180 -2.284 1.00 0.45 H new ATOM 0 HB3 ALA A 73 -2.864 -7.127 -1.271 1.00 0.45 H new ATOM 965 N VAL A 74 0.134 -8.697 0.772 1.00 0.44 N ATOM 966 CA VAL A 74 0.278 -9.467 2.016 1.00 0.48 C ATOM 967 C VAL A 74 1.006 -8.613 3.043 1.00 0.41 C ATOM 968 O VAL A 74 2.101 -8.111 2.796 1.00 0.40 O ATOM 969 CB VAL A 74 1.053 -10.775 1.770 1.00 0.60 C ATOM 970 CG1 VAL A 74 1.347 -11.536 3.070 1.00 0.72 C ATOM 971 CG2 VAL A 74 0.259 -11.713 0.856 1.00 0.72 C ATOM 0 H VAL A 74 0.967 -8.151 0.551 1.00 0.44 H new ATOM 0 HA VAL A 74 -0.712 -9.731 2.387 1.00 0.48 H new ATOM 0 HB VAL A 74 1.994 -10.481 1.305 1.00 0.60 H new ATOM 0 HG11 VAL A 74 1.895 -12.450 2.841 1.00 0.72 H new ATOM 0 HG12 VAL A 74 1.947 -10.910 3.731 1.00 0.72 H new ATOM 0 HG13 VAL A 74 0.409 -11.790 3.563 1.00 0.72 H new ATOM 0 HG21 VAL A 74 0.825 -12.630 0.696 1.00 0.72 H new ATOM 0 HG22 VAL A 74 -0.696 -11.953 1.323 1.00 0.72 H new ATOM 0 HG23 VAL A 74 0.082 -11.224 -0.102 1.00 0.72 H new ATOM 981 N LEU A 75 0.403 -8.420 4.208 1.00 0.41 N ATOM 982 CA LEU A 75 0.997 -7.607 5.261 1.00 0.37 C ATOM 983 C LEU A 75 2.130 -8.330 5.987 1.00 0.39 C ATOM 984 O LEU A 75 2.044 -9.527 6.279 1.00 0.47 O ATOM 985 CB LEU A 75 -0.077 -7.101 6.200 1.00 0.42 C ATOM 986 CG LEU A 75 0.429 -5.983 7.136 1.00 0.44 C ATOM 987 CD1 LEU A 75 1.232 -4.861 6.483 1.00 1.18 C ATOM 988 CD2 LEU A 75 -0.791 -5.224 7.541 1.00 0.86 C ATOM 0 H LEU A 75 -0.504 -8.819 4.449 1.00 0.41 H new ATOM 0 HA LEU A 75 1.465 -6.739 4.797 1.00 0.37 H new ATOM 0 HB2 LEU A 75 -0.918 -6.727 5.616 1.00 0.42 H new ATOM 0 HB3 LEU A 75 -0.450 -7.931 6.800 1.00 0.42 H new ATOM 0 HG LEU A 75 1.036 -6.492 7.884 1.00 0.44 H new ATOM 0 HD11 LEU A 75 1.531 -4.138 7.242 1.00 1.18 H new ATOM 0 HD12 LEU A 75 2.121 -5.278 6.009 1.00 1.18 H new ATOM 0 HD13 LEU A 75 0.619 -4.365 5.731 1.00 1.18 H new ATOM 0 HD21 LEU A 75 -0.508 -4.411 8.209 1.00 0.86 H new ATOM 0 HD22 LEU A 75 -1.275 -4.814 6.655 1.00 0.86 H new ATOM 0 HD23 LEU A 75 -1.482 -5.893 8.055 1.00 0.86 H new ATOM 1000 N LYS A 76 3.174 -7.558 6.297 1.00 0.35 N ATOM 1001 CA LYS A 76 4.366 -8.009 7.019 1.00 0.37 C ATOM 1002 C LYS A 76 4.468 -7.449 8.441 1.00 0.36 C ATOM 1003 O LYS A 76 4.933 -8.161 9.333 1.00 0.44 O ATOM 1004 CB LYS A 76 5.618 -7.747 6.161 1.00 0.46 C ATOM 1005 CG LYS A 76 5.643 -8.511 4.823 1.00 0.64 C ATOM 1006 CD LYS A 76 5.486 -10.027 5.004 1.00 0.85 C ATOM 1007 CE LYS A 76 5.613 -10.778 3.681 1.00 2.11 C ATOM 1008 NZ LYS A 76 5.469 -12.235 3.902 1.00 2.57 N ATOM 0 H LYS A 76 3.214 -6.571 6.044 1.00 0.35 H new ATOM 0 HA LYS A 76 4.282 -9.085 7.174 1.00 0.37 H new ATOM 0 HB2 LYS A 76 5.687 -6.679 5.957 1.00 0.46 H new ATOM 0 HB3 LYS A 76 6.502 -8.019 6.737 1.00 0.46 H new ATOM 0 HG2 LYS A 76 4.842 -8.141 4.183 1.00 0.64 H new ATOM 0 HG3 LYS A 76 6.582 -8.306 4.310 1.00 0.64 H new ATOM 0 HD2 LYS A 76 6.242 -10.389 5.700 1.00 0.85 H new ATOM 0 HD3 LYS A 76 4.514 -10.240 5.450 1.00 0.85 H new ATOM 0 HE2 LYS A 76 4.850 -10.432 2.984 1.00 2.11 H new ATOM 0 HE3 LYS A 76 6.581 -10.566 3.226 1.00 2.11 H new ATOM 0 HZ1 LYS A 76 5.557 -12.734 2.994 1.00 2.57 H new ATOM 0 HZ2 LYS A 76 6.212 -12.563 4.551 1.00 2.57 H new ATOM 0 HZ3 LYS A 76 4.536 -12.433 4.316 1.00 2.57 H new ATOM 1022 N GLY A 77 3.959 -6.238 8.662 1.00 0.33 N ATOM 1023 CA GLY A 77 3.688 -5.651 9.970 1.00 0.36 C ATOM 1024 C GLY A 77 3.533 -4.133 9.884 1.00 0.45 C ATOM 1025 O GLY A 77 3.339 -3.572 8.803 1.00 0.51 O ATOM 0 H GLY A 77 3.713 -5.611 7.896 1.00 0.33 H new ATOM 0 HA2 GLY A 77 2.779 -6.087 10.384 1.00 0.36 H new ATOM 0 HA3 GLY A 77 4.500 -5.896 10.655 1.00 0.36 H new ATOM 1029 N MET A 78 3.619 -3.465 11.027 1.00 0.61 N ATOM 1030 CA MET A 78 3.466 -2.026 11.171 1.00 0.71 C ATOM 1031 C MET A 78 4.820 -1.314 11.309 1.00 0.84 C ATOM 1032 O MET A 78 5.801 -1.866 11.819 1.00 1.18 O ATOM 1033 CB MET A 78 2.503 -1.714 12.324 1.00 0.81 C ATOM 1034 CG MET A 78 1.046 -2.017 11.941 1.00 0.87 C ATOM 1035 SD MET A 78 0.556 -3.766 11.940 1.00 1.18 S ATOM 1036 CE MET A 78 -1.140 -3.593 11.330 1.00 1.19 C ATOM 0 H MET A 78 3.805 -3.932 11.915 1.00 0.61 H new ATOM 0 HA MET A 78 3.024 -1.629 10.257 1.00 0.71 H new ATOM 0 HB2 MET A 78 2.780 -2.302 13.199 1.00 0.81 H new ATOM 0 HB3 MET A 78 2.596 -0.664 12.603 1.00 0.81 H new ATOM 0 HG2 MET A 78 0.393 -1.480 12.630 1.00 0.87 H new ATOM 0 HG3 MET A 78 0.863 -1.611 10.946 1.00 0.87 H new ATOM 0 HE1 MET A 78 -1.605 -4.577 11.263 1.00 1.19 H new ATOM 0 HE2 MET A 78 -1.711 -2.967 12.016 1.00 1.19 H new ATOM 0 HE3 MET A 78 -1.126 -3.131 10.343 1.00 1.19 H new ATOM 1046 N GLY A 79 4.872 -0.086 10.800 1.00 0.78 N ATOM 1047 CA GLY A 79 6.071 0.741 10.649 1.00 1.01 C ATOM 1048 C GLY A 79 6.488 1.518 11.901 1.00 1.42 C ATOM 1049 O GLY A 79 5.875 1.425 12.965 1.00 2.25 O ATOM 0 H GLY A 79 4.034 0.387 10.463 1.00 0.78 H new ATOM 0 HA2 GLY A 79 6.899 0.100 10.346 1.00 1.01 H new ATOM 0 HA3 GLY A 79 5.904 1.451 9.839 1.00 1.01 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 5.698 -2.911 -14.747 1.00 0.85 CU