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 110:sc= 0.00934 USER MOD Set 1.2: A 78 MET CE :methyl 180:sc=-0.00841 (180deg=0) USER MOD Set 2.1: A 13 THR OG1 : rot -55:sc= 0.516 USER MOD Set 2.2: A 54 HIS : no HD1:sc= 0.317 K(o=0.83,f=-0.14) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 76:sc= 0.0624 USER MOD Single : A 19 GLN : amide:sc= -0.0465 X(o=-0.046,f=-0.046) USER MOD Single : A 20 MET CE :methyl 147:sc= -0.702 (180deg=-2.16) USER MOD Single : A 21 THR OG1 : rot -36:sc= 0.14 USER MOD Single : A 23 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 1.05 (180deg=1.02) USER MOD Single : A 32 SER OG : rot -40:sc= 0.352 USER MOD Single : A 34 GLN : amide:sc= -0.255 K(o=-0.26,f=-1.2) USER MOD Single : A 40 GLN : amide:sc= -0.0493 X(o=-0.049,f=-0.1) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc=-0.00734 K(o=-0.0073,f=-0.78) USER MOD Single : A 50 MET CE :methyl 147:sc= -0.111 (180deg=-0.117) USER MOD Single : A 55 THR OG1 : rot 55:sc= 1.3 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.47! C(o=-1.5!,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= 0.751 K(o=0.75,f=-0.22) USER MOD Single : A 69 THR OG1 : rot -95:sc= 1.86 USER MOD Single : A 72 GLN : amide:sc= -1.06! K(o=-1.1!,f=-0.053) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -10.759 4.313 12.008 1.00 1.98 N ATOM 2 CA GLY A 9 -9.868 4.015 13.134 1.00 1.02 C ATOM 3 C GLY A 9 -8.901 5.157 13.477 1.00 0.96 C ATOM 4 O GLY A 9 -9.289 6.327 13.583 1.00 1.44 O ATOM 0 HA2 GLY A 9 -10.472 3.786 14.012 1.00 1.02 H new ATOM 0 HA3 GLY A 9 -9.291 3.120 12.902 1.00 1.02 H new ATOM 8 N THR A 10 -7.623 4.809 13.640 1.00 0.91 N ATOM 9 CA THR A 10 -6.530 5.738 13.956 1.00 0.80 C ATOM 10 C THR A 10 -5.274 5.496 13.119 1.00 0.71 C ATOM 11 O THR A 10 -4.986 4.369 12.703 1.00 0.67 O ATOM 12 CB THR A 10 -6.220 5.735 15.455 1.00 0.92 C ATOM 13 OG1 THR A 10 -5.293 6.748 15.768 1.00 0.90 O ATOM 14 CG2 THR A 10 -5.653 4.416 15.973 1.00 1.07 C ATOM 0 H THR A 10 -7.308 3.843 13.553 1.00 0.91 H new ATOM 0 HA THR A 10 -6.882 6.733 13.684 1.00 0.80 H new ATOM 0 HB THR A 10 -7.182 5.901 15.941 1.00 0.92 H new ATOM 0 HG1 THR A 10 -5.106 6.735 16.730 1.00 0.90 H new ATOM 0 HG21 THR A 10 -5.461 4.498 17.043 1.00 1.07 H new ATOM 0 HG22 THR A 10 -6.371 3.616 15.793 1.00 1.07 H new ATOM 0 HG23 THR A 10 -4.722 4.191 15.453 1.00 1.07 H new ATOM 22 N LEU A 11 -4.545 6.576 12.836 1.00 0.70 N ATOM 23 CA LEU A 11 -3.450 6.632 11.865 1.00 0.63 C ATOM 24 C LEU A 11 -2.255 5.793 12.320 1.00 0.60 C ATOM 25 O LEU A 11 -1.762 5.941 13.442 1.00 0.67 O ATOM 26 CB LEU A 11 -3.034 8.099 11.636 1.00 0.63 C ATOM 27 CG LEU A 11 -2.475 8.535 10.271 1.00 0.71 C ATOM 28 CD1 LEU A 11 -1.160 7.870 9.881 1.00 1.95 C ATOM 29 CD2 LEU A 11 -3.479 8.311 9.146 1.00 1.34 C ATOM 0 H LEU A 11 -4.707 7.472 13.295 1.00 0.70 H new ATOM 0 HA LEU A 11 -3.802 6.209 10.924 1.00 0.63 H new ATOM 0 HB2 LEU A 11 -3.906 8.719 11.842 1.00 0.63 H new ATOM 0 HB3 LEU A 11 -2.283 8.344 12.387 1.00 0.63 H new ATOM 0 HG LEU A 11 -2.279 9.599 10.402 1.00 0.71 H new ATOM 0 HD11 LEU A 11 -0.842 8.237 8.905 1.00 1.95 H new ATOM 0 HD12 LEU A 11 -0.398 8.107 10.624 1.00 1.95 H new ATOM 0 HD13 LEU A 11 -1.298 6.790 9.835 1.00 1.95 H new ATOM 0 HD21 LEU A 11 -3.043 8.632 8.200 1.00 1.34 H new ATOM 0 HD22 LEU A 11 -3.731 7.252 9.088 1.00 1.34 H new ATOM 0 HD23 LEU A 11 -4.382 8.888 9.344 1.00 1.34 H new ATOM 41 N CYS A 12 -1.792 4.944 11.415 1.00 0.52 N ATOM 42 CA CYS A 12 -0.747 3.939 11.608 1.00 0.55 C ATOM 43 C CYS A 12 0.033 3.698 10.298 1.00 0.38 C ATOM 44 O CYS A 12 -0.567 3.667 9.224 1.00 0.51 O ATOM 45 CB CYS A 12 -1.411 2.621 12.050 1.00 0.78 C ATOM 46 SG CYS A 12 -2.232 2.756 13.668 1.00 2.07 S ATOM 0 H CYS A 12 -2.157 4.935 10.463 1.00 0.52 H new ATOM 0 HA CYS A 12 -0.048 4.293 12.366 1.00 0.55 H new ATOM 0 HB2 CYS A 12 -2.142 2.318 11.300 1.00 0.78 H new ATOM 0 HB3 CYS A 12 -0.656 1.836 12.095 1.00 0.78 H new ATOM 0 HG CYS A 12 -3.356 3.395 13.532 1.00 2.07 H new ATOM 52 N THR A 13 1.345 3.466 10.380 1.00 0.30 N ATOM 53 CA THR A 13 2.176 2.946 9.272 1.00 0.27 C ATOM 54 C THR A 13 1.970 1.444 9.101 1.00 0.29 C ATOM 55 O THR A 13 2.347 0.666 9.976 1.00 0.47 O ATOM 56 CB THR A 13 3.671 3.173 9.553 1.00 0.50 C ATOM 57 OG1 THR A 13 3.916 4.518 9.867 1.00 0.67 O ATOM 58 CG2 THR A 13 4.555 2.802 8.359 1.00 0.66 C ATOM 0 H THR A 13 1.878 3.635 11.233 1.00 0.30 H new ATOM 0 HA THR A 13 1.873 3.480 8.371 1.00 0.27 H new ATOM 0 HB THR A 13 3.921 2.526 10.393 1.00 0.50 H new ATOM 0 HG1 THR A 13 3.573 5.089 9.149 1.00 0.67 H new ATOM 0 HG21 THR A 13 5.600 2.981 8.611 1.00 0.66 H new ATOM 0 HG22 THR A 13 4.416 1.748 8.117 1.00 0.66 H new ATOM 0 HG23 THR A 13 4.279 3.412 7.499 1.00 0.66 H new ATOM 66 N LEU A 14 1.449 1.020 7.952 1.00 0.23 N ATOM 67 CA LEU A 14 1.371 -0.387 7.546 1.00 0.25 C ATOM 68 C LEU A 14 2.433 -0.677 6.476 1.00 0.27 C ATOM 69 O LEU A 14 2.555 0.066 5.501 1.00 0.31 O ATOM 70 CB LEU A 14 -0.048 -0.697 7.043 1.00 0.30 C ATOM 71 CG LEU A 14 -1.114 -1.008 8.114 1.00 0.40 C ATOM 72 CD1 LEU A 14 -1.087 -0.106 9.343 1.00 0.99 C ATOM 73 CD2 LEU A 14 -2.499 -0.889 7.479 1.00 1.62 C ATOM 0 H LEU A 14 1.059 1.658 7.259 1.00 0.23 H new ATOM 0 HA LEU A 14 1.574 -1.036 8.398 1.00 0.25 H new ATOM 0 HB2 LEU A 14 -0.394 0.154 6.457 1.00 0.30 H new ATOM 0 HB3 LEU A 14 0.011 -1.548 6.365 1.00 0.30 H new ATOM 0 HG LEU A 14 -0.886 -2.014 8.465 1.00 0.40 H new ATOM 0 HD11 LEU A 14 -1.875 -0.408 10.033 1.00 0.99 H new ATOM 0 HD12 LEU A 14 -0.119 -0.193 9.837 1.00 0.99 H new ATOM 0 HD13 LEU A 14 -1.248 0.928 9.039 1.00 0.99 H new ATOM 0 HD21 LEU A 14 -3.262 -1.107 8.226 1.00 1.62 H new ATOM 0 HD22 LEU A 14 -2.640 0.123 7.101 1.00 1.62 H new ATOM 0 HD23 LEU A 14 -2.584 -1.599 6.656 1.00 1.62 H new ATOM 85 N GLU A 15 3.188 -1.761 6.658 1.00 0.33 N ATOM 86 CA GLU A 15 4.250 -2.219 5.753 1.00 0.27 C ATOM 87 C GLU A 15 3.791 -3.440 4.944 1.00 0.21 C ATOM 88 O GLU A 15 3.714 -4.550 5.468 1.00 0.44 O ATOM 89 CB GLU A 15 5.511 -2.562 6.566 1.00 0.44 C ATOM 90 CG GLU A 15 6.040 -1.357 7.350 1.00 0.94 C ATOM 91 CD GLU A 15 7.349 -1.678 8.084 1.00 1.05 C ATOM 92 OE1 GLU A 15 7.439 -2.707 8.801 1.00 2.11 O ATOM 93 OE2 GLU A 15 8.308 -0.880 7.965 1.00 1.69 O ATOM 0 H GLU A 15 3.075 -2.369 7.469 1.00 0.33 H new ATOM 0 HA GLU A 15 4.480 -1.417 5.052 1.00 0.27 H new ATOM 0 HB2 GLU A 15 5.285 -3.373 7.258 1.00 0.44 H new ATOM 0 HB3 GLU A 15 6.288 -2.925 5.893 1.00 0.44 H new ATOM 0 HG2 GLU A 15 6.202 -0.523 6.667 1.00 0.94 H new ATOM 0 HG3 GLU A 15 5.289 -1.036 8.072 1.00 0.94 H new ATOM 100 N PHE A 16 3.486 -3.264 3.660 1.00 0.24 N ATOM 101 CA PHE A 16 2.988 -4.344 2.794 1.00 0.25 C ATOM 102 C PHE A 16 4.036 -4.848 1.802 1.00 0.22 C ATOM 103 O PHE A 16 4.724 -4.057 1.161 1.00 0.30 O ATOM 104 CB PHE A 16 1.741 -3.891 2.027 1.00 0.37 C ATOM 105 CG PHE A 16 0.475 -3.797 2.849 1.00 0.40 C ATOM 106 CD1 PHE A 16 -0.374 -4.915 2.963 1.00 1.31 C ATOM 107 CD2 PHE A 16 0.109 -2.576 3.445 1.00 1.73 C ATOM 108 CE1 PHE A 16 -1.606 -4.795 3.623 1.00 1.29 C ATOM 109 CE2 PHE A 16 -1.109 -2.471 4.139 1.00 1.77 C ATOM 110 CZ PHE A 16 -1.957 -3.587 4.241 1.00 0.49 C ATOM 0 H PHE A 16 3.576 -2.366 3.184 1.00 0.24 H new ATOM 0 HA PHE A 16 2.739 -5.172 3.458 1.00 0.25 H new ATOM 0 HB2 PHE A 16 1.941 -2.915 1.585 1.00 0.37 H new ATOM 0 HB3 PHE A 16 1.569 -4.584 1.204 1.00 0.37 H new ATOM 0 HD1 PHE A 16 -0.077 -5.864 2.542 1.00 1.31 H new ATOM 0 HD2 PHE A 16 0.763 -1.720 3.369 1.00 1.73 H new ATOM 0 HE1 PHE A 16 -2.285 -5.634 3.655 1.00 1.29 H new ATOM 0 HE2 PHE A 16 -1.393 -1.533 4.593 1.00 1.77 H new ATOM 0 HZ PHE A 16 -2.880 -3.514 4.796 1.00 0.49 H new ATOM 120 N ALA A 17 4.077 -6.164 1.604 1.00 0.23 N ATOM 121 CA ALA A 17 4.756 -6.830 0.500 1.00 0.23 C ATOM 122 C ALA A 17 3.749 -7.103 -0.631 1.00 0.25 C ATOM 123 O ALA A 17 2.724 -7.762 -0.425 1.00 0.45 O ATOM 124 CB ALA A 17 5.393 -8.110 1.045 1.00 0.29 C ATOM 0 H ALA A 17 3.618 -6.820 2.236 1.00 0.23 H new ATOM 0 HA ALA A 17 5.544 -6.207 0.076 1.00 0.23 H new ATOM 0 HB1 ALA A 17 5.910 -8.631 0.239 1.00 0.29 H new ATOM 0 HB2 ALA A 17 6.106 -7.856 1.829 1.00 0.29 H new ATOM 0 HB3 ALA A 17 4.617 -8.756 1.456 1.00 0.29 H new ATOM 130 N VAL A 18 4.020 -6.582 -1.827 1.00 0.33 N ATOM 131 CA VAL A 18 3.120 -6.611 -2.995 1.00 0.37 C ATOM 132 C VAL A 18 3.890 -6.977 -4.260 1.00 0.49 C ATOM 133 O VAL A 18 5.028 -6.553 -4.448 1.00 0.89 O ATOM 134 CB VAL A 18 2.399 -5.262 -3.191 1.00 0.53 C ATOM 135 CG1 VAL A 18 1.429 -4.926 -2.054 1.00 0.57 C ATOM 136 CG2 VAL A 18 3.378 -4.103 -3.262 1.00 0.65 C ATOM 0 H VAL A 18 4.902 -6.110 -2.023 1.00 0.33 H new ATOM 0 HA VAL A 18 2.365 -7.374 -2.803 1.00 0.37 H new ATOM 0 HB VAL A 18 1.854 -5.385 -4.127 1.00 0.53 H new ATOM 0 HG11 VAL A 18 0.955 -3.965 -2.253 1.00 0.57 H new ATOM 0 HG12 VAL A 18 0.665 -5.701 -1.987 1.00 0.57 H new ATOM 0 HG13 VAL A 18 1.976 -4.873 -1.113 1.00 0.57 H new ATOM 0 HG21 VAL A 18 2.829 -3.171 -3.400 1.00 0.65 H new ATOM 0 HG22 VAL A 18 3.950 -4.053 -2.336 1.00 0.65 H new ATOM 0 HG23 VAL A 18 4.058 -4.252 -4.101 1.00 0.65 H new ATOM 146 N GLN A 19 3.276 -7.745 -5.157 1.00 0.37 N ATOM 147 CA GLN A 19 3.979 -8.260 -6.336 1.00 0.45 C ATOM 148 C GLN A 19 4.054 -7.203 -7.455 1.00 0.41 C ATOM 149 O GLN A 19 3.156 -7.121 -8.292 1.00 0.43 O ATOM 150 CB GLN A 19 3.282 -9.557 -6.790 1.00 0.60 C ATOM 151 CG GLN A 19 3.508 -10.734 -5.823 1.00 1.72 C ATOM 152 CD GLN A 19 4.950 -11.230 -5.855 1.00 2.98 C ATOM 153 OE1 GLN A 19 5.764 -10.931 -4.986 1.00 4.70 O ATOM 154 NE2 GLN A 19 5.320 -11.968 -6.875 1.00 3.21 N ATOM 0 H GLN A 19 2.297 -8.025 -5.093 1.00 0.37 H new ATOM 0 HA GLN A 19 5.014 -8.489 -6.082 1.00 0.45 H new ATOM 0 HB2 GLN A 19 2.212 -9.373 -6.885 1.00 0.60 H new ATOM 0 HB3 GLN A 19 3.648 -9.832 -7.779 1.00 0.60 H new ATOM 0 HG2 GLN A 19 3.253 -10.425 -4.809 1.00 1.72 H new ATOM 0 HG3 GLN A 19 2.837 -11.552 -6.085 1.00 1.72 H new ATOM 0 HE21 GLN A 19 4.643 -12.216 -7.597 1.00 3.21 H new ATOM 0 HE22 GLN A 19 6.284 -12.293 -6.946 1.00 3.21 H new ATOM 163 N MET A 20 5.139 -6.419 -7.510 1.00 0.43 N ATOM 164 CA MET A 20 5.488 -5.524 -8.631 1.00 0.44 C ATOM 165 C MET A 20 7.009 -5.379 -8.822 1.00 0.54 C ATOM 166 O MET A 20 7.755 -5.421 -7.845 1.00 0.71 O ATOM 167 CB MET A 20 4.854 -4.136 -8.446 1.00 0.41 C ATOM 168 CG MET A 20 5.077 -3.525 -7.059 1.00 0.41 C ATOM 169 SD MET A 20 4.723 -1.747 -6.971 1.00 0.54 S ATOM 170 CE MET A 20 4.737 -1.578 -5.171 1.00 0.46 C ATOM 0 H MET A 20 5.822 -6.386 -6.753 1.00 0.43 H new ATOM 0 HA MET A 20 5.085 -5.989 -9.530 1.00 0.44 H new ATOM 0 HB2 MET A 20 5.260 -3.460 -9.198 1.00 0.41 H new ATOM 0 HB3 MET A 20 3.782 -4.211 -8.630 1.00 0.41 H new ATOM 0 HG2 MET A 20 4.448 -4.047 -6.338 1.00 0.41 H new ATOM 0 HG3 MET A 20 6.112 -3.694 -6.761 1.00 0.41 H new ATOM 0 HE1 MET A 20 5.118 -0.593 -4.901 1.00 0.46 H new ATOM 0 HE2 MET A 20 3.723 -1.693 -4.787 1.00 0.46 H new ATOM 0 HE3 MET A 20 5.378 -2.346 -4.738 1.00 0.46 H new ATOM 180 N THR A 21 7.466 -5.189 -10.068 1.00 0.57 N ATOM 181 CA THR A 21 8.898 -5.107 -10.423 1.00 0.77 C ATOM 182 C THR A 21 9.249 -4.238 -11.658 1.00 0.55 C ATOM 183 O THR A 21 10.435 -4.062 -11.948 1.00 0.65 O ATOM 184 CB THR A 21 9.460 -6.537 -10.527 1.00 1.34 C ATOM 185 OG1 THR A 21 10.866 -6.560 -10.398 1.00 2.99 O ATOM 186 CG2 THR A 21 9.072 -7.260 -11.815 1.00 1.11 C ATOM 0 H THR A 21 6.846 -5.086 -10.872 1.00 0.57 H new ATOM 0 HA THR A 21 9.386 -4.560 -9.617 1.00 0.77 H new ATOM 0 HB THR A 21 9.002 -7.071 -9.694 1.00 1.34 H new ATOM 0 HG1 THR A 21 11.247 -5.767 -10.830 1.00 2.99 H new ATOM 0 HG21 THR A 21 9.505 -8.260 -11.815 1.00 1.11 H new ATOM 0 HG22 THR A 21 7.986 -7.334 -11.878 1.00 1.11 H new ATOM 0 HG23 THR A 21 9.448 -6.702 -12.673 1.00 1.11 H new ATOM 194 N CYS A 22 8.278 -3.638 -12.369 1.00 0.53 N ATOM 195 CA CYS A 22 8.520 -2.603 -13.392 1.00 0.67 C ATOM 196 C CYS A 22 7.785 -1.256 -13.124 1.00 0.67 C ATOM 197 O CYS A 22 6.837 -1.190 -12.335 1.00 0.58 O ATOM 198 CB CYS A 22 8.343 -3.232 -14.794 1.00 0.88 C ATOM 199 SG CYS A 22 6.688 -3.197 -15.541 1.00 1.20 S ATOM 0 H CYS A 22 7.290 -3.861 -12.248 1.00 0.53 H new ATOM 0 HA CYS A 22 9.555 -2.267 -13.336 1.00 0.67 H new ATOM 0 HB2 CYS A 22 9.028 -2.727 -15.475 1.00 0.88 H new ATOM 0 HB3 CYS A 22 8.661 -4.273 -14.736 1.00 0.88 H new ATOM 204 N GLN A 23 8.254 -0.166 -13.757 1.00 0.82 N ATOM 205 CA GLN A 23 7.956 1.233 -13.378 1.00 0.85 C ATOM 206 C GLN A 23 6.472 1.644 -13.488 1.00 0.81 C ATOM 207 O GLN A 23 6.028 2.563 -12.791 1.00 0.82 O ATOM 208 CB GLN A 23 8.832 2.204 -14.192 1.00 1.06 C ATOM 209 CG GLN A 23 10.344 2.001 -13.982 1.00 1.63 C ATOM 210 CD GLN A 23 10.724 2.021 -12.506 1.00 1.67 C ATOM 211 OE1 GLN A 23 10.656 3.040 -11.831 1.00 1.89 O ATOM 212 NE2 GLN A 23 11.081 0.907 -11.915 1.00 2.30 N ATOM 0 H GLN A 23 8.868 -0.232 -14.569 1.00 0.82 H new ATOM 0 HA GLN A 23 8.193 1.294 -12.316 1.00 0.85 H new ATOM 0 HB2 GLN A 23 8.602 2.085 -15.251 1.00 1.06 H new ATOM 0 HB3 GLN A 23 8.571 3.227 -13.922 1.00 1.06 H new ATOM 0 HG2 GLN A 23 10.646 1.050 -14.421 1.00 1.63 H new ATOM 0 HG3 GLN A 23 10.891 2.783 -14.508 1.00 1.63 H new ATOM 0 HE21 GLN A 23 11.146 0.043 -12.453 1.00 2.30 H new ATOM 0 HE22 GLN A 23 11.294 0.904 -10.917 1.00 2.30 H new ATOM 221 N SER A 24 5.698 0.943 -14.314 1.00 0.84 N ATOM 222 CA SER A 24 4.260 1.166 -14.530 1.00 0.90 C ATOM 223 C SER A 24 3.358 0.571 -13.444 1.00 0.83 C ATOM 224 O SER A 24 2.193 0.968 -13.342 1.00 1.06 O ATOM 225 CB SER A 24 3.854 0.587 -15.885 1.00 1.00 C ATOM 226 OG SER A 24 4.662 1.146 -16.908 1.00 1.23 O ATOM 0 H SER A 24 6.064 0.174 -14.875 1.00 0.84 H new ATOM 0 HA SER A 24 4.115 2.246 -14.494 1.00 0.90 H new ATOM 0 HB2 SER A 24 3.963 -0.497 -15.875 1.00 1.00 H new ATOM 0 HB3 SER A 24 2.803 0.800 -16.082 1.00 1.00 H new ATOM 0 HG SER A 24 4.399 0.771 -17.774 1.00 1.23 H new ATOM 232 N CYS A 25 3.863 -0.364 -12.636 1.00 0.61 N ATOM 233 CA CYS A 25 3.161 -0.894 -11.479 1.00 0.49 C ATOM 234 C CYS A 25 3.310 0.065 -10.274 1.00 0.33 C ATOM 235 O CYS A 25 2.326 0.419 -9.641 1.00 0.34 O ATOM 236 CB CYS A 25 3.698 -2.308 -11.241 1.00 0.56 C ATOM 237 SG CYS A 25 3.402 -3.463 -12.607 1.00 0.90 S ATOM 0 H CYS A 25 4.786 -0.776 -12.775 1.00 0.61 H new ATOM 0 HA CYS A 25 2.085 -0.965 -11.639 1.00 0.49 H new ATOM 0 HB2 CYS A 25 4.771 -2.250 -11.057 1.00 0.56 H new ATOM 0 HB3 CYS A 25 3.241 -2.709 -10.337 1.00 0.56 H new ATOM 242 N VAL A 26 4.526 0.561 -10.026 1.00 0.34 N ATOM 243 CA VAL A 26 4.902 1.564 -9.006 1.00 0.37 C ATOM 244 C VAL A 26 3.919 2.730 -8.999 1.00 0.36 C ATOM 245 O VAL A 26 3.278 2.991 -7.985 1.00 0.36 O ATOM 246 CB VAL A 26 6.332 2.105 -9.266 1.00 0.55 C ATOM 247 CG1 VAL A 26 7.064 2.492 -7.989 1.00 0.59 C ATOM 248 CG2 VAL A 26 7.208 1.071 -9.933 1.00 0.79 C ATOM 0 H VAL A 26 5.335 0.256 -10.567 1.00 0.34 H new ATOM 0 HA VAL A 26 4.875 1.069 -8.035 1.00 0.37 H new ATOM 0 HB VAL A 26 6.176 2.978 -9.899 1.00 0.55 H new ATOM 0 HG11 VAL A 26 8.058 2.863 -8.238 1.00 0.59 H new ATOM 0 HG12 VAL A 26 6.505 3.271 -7.471 1.00 0.59 H new ATOM 0 HG13 VAL A 26 7.154 1.619 -7.342 1.00 0.59 H new ATOM 0 HG21 VAL A 26 8.201 1.488 -10.098 1.00 0.79 H new ATOM 0 HG22 VAL A 26 7.285 0.192 -9.293 1.00 0.79 H new ATOM 0 HG23 VAL A 26 6.770 0.786 -10.890 1.00 0.79 H new ATOM 258 N ASP A 27 3.733 3.372 -10.155 1.00 0.43 N ATOM 259 CA ASP A 27 2.803 4.492 -10.326 1.00 0.46 C ATOM 260 C ASP A 27 1.349 4.083 -10.081 1.00 0.40 C ATOM 261 O ASP A 27 0.578 4.843 -9.501 1.00 0.44 O ATOM 262 CB ASP A 27 2.946 5.032 -11.756 1.00 0.63 C ATOM 263 CG ASP A 27 2.593 6.516 -11.860 1.00 1.18 C ATOM 264 OD1 ASP A 27 3.120 7.331 -11.063 1.00 1.85 O ATOM 265 OD2 ASP A 27 1.852 6.905 -12.793 1.00 2.38 O ATOM 0 H ASP A 27 4.231 3.125 -11.010 1.00 0.43 H new ATOM 0 HA ASP A 27 3.053 5.256 -9.590 1.00 0.46 H new ATOM 0 HB2 ASP A 27 3.970 4.881 -12.097 1.00 0.63 H new ATOM 0 HB3 ASP A 27 2.300 4.461 -12.423 1.00 0.63 H new ATOM 270 N ALA A 28 0.988 2.861 -10.473 1.00 0.39 N ATOM 271 CA ALA A 28 -0.389 2.377 -10.369 1.00 0.43 C ATOM 272 C ALA A 28 -0.772 2.068 -8.917 1.00 0.40 C ATOM 273 O ALA A 28 -1.814 2.521 -8.435 1.00 0.51 O ATOM 274 CB ALA A 28 -0.572 1.170 -11.289 1.00 0.48 C ATOM 0 H ALA A 28 1.638 2.182 -10.869 1.00 0.39 H new ATOM 0 HA ALA A 28 -1.070 3.163 -10.695 1.00 0.43 H new ATOM 0 HB1 ALA A 28 -1.597 0.807 -11.214 1.00 0.48 H new ATOM 0 HB2 ALA A 28 -0.365 1.463 -12.318 1.00 0.48 H new ATOM 0 HB3 ALA A 28 0.116 0.378 -10.992 1.00 0.48 H new ATOM 280 N VAL A 29 0.095 1.368 -8.172 1.00 0.33 N ATOM 281 CA VAL A 29 -0.139 1.102 -6.764 1.00 0.38 C ATOM 282 C VAL A 29 -0.056 2.393 -5.944 1.00 0.41 C ATOM 283 O VAL A 29 -0.895 2.569 -5.070 1.00 0.57 O ATOM 284 CB VAL A 29 0.775 -0.012 -6.219 1.00 0.46 C ATOM 285 CG1 VAL A 29 0.136 -0.562 -4.948 1.00 0.54 C ATOM 286 CG2 VAL A 29 0.893 -1.252 -7.116 1.00 0.48 C ATOM 0 H VAL A 29 0.966 0.978 -8.532 1.00 0.33 H new ATOM 0 HA VAL A 29 -1.155 0.721 -6.663 1.00 0.38 H new ATOM 0 HB VAL A 29 1.754 0.454 -6.109 1.00 0.46 H new ATOM 0 HG11 VAL A 29 0.763 -1.354 -4.539 1.00 0.54 H new ATOM 0 HG12 VAL A 29 0.038 0.238 -4.214 1.00 0.54 H new ATOM 0 HG13 VAL A 29 -0.850 -0.963 -5.181 1.00 0.54 H new ATOM 0 HG21 VAL A 29 1.557 -1.978 -6.647 1.00 0.48 H new ATOM 0 HG22 VAL A 29 -0.093 -1.697 -7.253 1.00 0.48 H new ATOM 0 HG23 VAL A 29 1.299 -0.963 -8.085 1.00 0.48 H new ATOM 296 N ARG A 30 0.829 3.353 -6.274 1.00 0.34 N ATOM 297 CA ARG A 30 0.857 4.694 -5.646 1.00 0.40 C ATOM 298 C ARG A 30 -0.475 5.422 -5.843 1.00 0.45 C ATOM 299 O ARG A 30 -1.001 6.024 -4.908 1.00 0.54 O ATOM 300 CB ARG A 30 1.983 5.537 -6.290 1.00 0.39 C ATOM 301 CG ARG A 30 3.385 5.185 -5.774 1.00 0.40 C ATOM 302 CD ARG A 30 4.511 5.705 -6.685 1.00 0.45 C ATOM 303 NE ARG A 30 5.774 5.837 -5.939 1.00 0.96 N ATOM 304 CZ ARG A 30 6.972 6.056 -6.441 1.00 2.08 C ATOM 305 NH1 ARG A 30 7.185 6.184 -7.718 1.00 3.28 N ATOM 306 NH2 ARG A 30 7.975 6.144 -5.625 1.00 2.54 N ATOM 0 H ARG A 30 1.548 3.223 -6.986 1.00 0.34 H new ATOM 0 HA ARG A 30 1.035 4.567 -4.578 1.00 0.40 H new ATOM 0 HB2 ARG A 30 1.957 5.398 -7.371 1.00 0.39 H new ATOM 0 HB3 ARG A 30 1.789 6.593 -6.100 1.00 0.39 H new ATOM 0 HG2 ARG A 30 3.513 5.601 -4.775 1.00 0.40 H new ATOM 0 HG3 ARG A 30 3.471 4.102 -5.682 1.00 0.40 H new ATOM 0 HD2 ARG A 30 4.649 5.023 -7.524 1.00 0.45 H new ATOM 0 HD3 ARG A 30 4.229 6.671 -7.103 1.00 0.45 H new ATOM 0 HE ARG A 30 5.715 5.749 -4.925 1.00 0.96 H new ATOM 0 HH11 ARG A 30 6.407 6.115 -8.374 1.00 3.28 H new ATOM 0 HH12 ARG A 30 8.130 6.353 -8.063 1.00 3.28 H new ATOM 0 HH21 ARG A 30 7.826 6.044 -4.621 1.00 2.54 H new ATOM 0 HH22 ARG A 30 8.914 6.313 -5.987 1.00 2.54 H new ATOM 320 N LYS A 31 -1.064 5.336 -7.038 1.00 0.45 N ATOM 321 CA LYS A 31 -2.297 6.059 -7.400 1.00 0.49 C ATOM 322 C LYS A 31 -3.567 5.448 -6.827 1.00 0.59 C ATOM 323 O LYS A 31 -4.530 6.171 -6.581 1.00 0.68 O ATOM 324 CB LYS A 31 -2.335 6.260 -8.916 1.00 0.59 C ATOM 325 CG LYS A 31 -1.310 7.364 -9.180 1.00 0.62 C ATOM 326 CD LYS A 31 -1.010 7.688 -10.633 1.00 0.84 C ATOM 327 CE LYS A 31 -0.032 8.857 -10.521 1.00 0.94 C ATOM 328 NZ LYS A 31 0.498 9.247 -11.847 1.00 1.27 N ATOM 0 H LYS A 31 -0.698 4.757 -7.794 1.00 0.45 H new ATOM 0 HA LYS A 31 -2.267 7.039 -6.925 1.00 0.49 H new ATOM 0 HB2 LYS A 31 -2.076 5.343 -9.445 1.00 0.59 H new ATOM 0 HB3 LYS A 31 -3.329 6.552 -9.253 1.00 0.59 H new ATOM 0 HG2 LYS A 31 -1.660 8.275 -8.694 1.00 0.62 H new ATOM 0 HG3 LYS A 31 -0.375 7.083 -8.695 1.00 0.62 H new ATOM 0 HD2 LYS A 31 -0.568 6.839 -11.154 1.00 0.84 H new ATOM 0 HD3 LYS A 31 -1.911 7.965 -11.181 1.00 0.84 H new ATOM 0 HE2 LYS A 31 -0.533 9.710 -10.063 1.00 0.94 H new ATOM 0 HE3 LYS A 31 0.793 8.581 -9.864 1.00 0.94 H new ATOM 0 HZ1 LYS A 31 1.184 10.020 -11.733 1.00 1.27 H new ATOM 0 HZ2 LYS A 31 0.967 8.430 -12.287 1.00 1.27 H new ATOM 0 HZ3 LYS A 31 -0.284 9.565 -12.454 1.00 1.27 H new ATOM 342 N SER A 32 -3.524 4.168 -6.466 1.00 0.63 N ATOM 343 CA SER A 32 -4.528 3.535 -5.603 1.00 0.72 C ATOM 344 C SER A 32 -4.411 3.914 -4.111 1.00 0.80 C ATOM 345 O SER A 32 -5.173 3.386 -3.301 1.00 1.40 O ATOM 346 CB SER A 32 -4.480 2.023 -5.795 1.00 0.66 C ATOM 347 OG SER A 32 -5.684 1.446 -5.327 1.00 0.90 O ATOM 0 H SER A 32 -2.785 3.531 -6.765 1.00 0.63 H new ATOM 0 HA SER A 32 -5.499 3.921 -5.913 1.00 0.72 H new ATOM 0 HB2 SER A 32 -4.336 1.785 -6.849 1.00 0.66 H new ATOM 0 HB3 SER A 32 -3.631 1.605 -5.255 1.00 0.66 H new ATOM 0 HG SER A 32 -5.958 1.888 -4.496 1.00 0.90 H new ATOM 353 N LEU A 33 -3.473 4.797 -3.739 1.00 0.72 N ATOM 354 CA LEU A 33 -3.324 5.395 -2.400 1.00 0.77 C ATOM 355 C LEU A 33 -3.492 6.926 -2.438 1.00 0.76 C ATOM 356 O LEU A 33 -4.029 7.522 -1.505 1.00 0.84 O ATOM 357 CB LEU A 33 -1.929 5.080 -1.818 1.00 0.79 C ATOM 358 CG LEU A 33 -1.412 3.638 -1.952 1.00 0.70 C ATOM 359 CD1 LEU A 33 0.092 3.543 -1.686 1.00 0.82 C ATOM 360 CD2 LEU A 33 -2.112 2.675 -1.011 1.00 0.57 C ATOM 0 H LEU A 33 -2.764 5.130 -4.392 1.00 0.72 H new ATOM 0 HA LEU A 33 -4.105 4.963 -1.774 1.00 0.77 H new ATOM 0 HB2 LEU A 33 -1.208 5.742 -2.297 1.00 0.79 H new ATOM 0 HB3 LEU A 33 -1.941 5.336 -0.758 1.00 0.79 H new ATOM 0 HG LEU A 33 -1.629 3.356 -2.982 1.00 0.70 H new ATOM 0 HD11 LEU A 33 0.415 2.507 -1.791 1.00 0.82 H new ATOM 0 HD12 LEU A 33 0.628 4.165 -2.403 1.00 0.82 H new ATOM 0 HD13 LEU A 33 0.305 3.889 -0.674 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -1.707 1.672 -1.149 1.00 0.57 H new ATOM 0 HD22 LEU A 33 -1.952 2.992 0.019 1.00 0.57 H new ATOM 0 HD23 LEU A 33 -3.180 2.668 -1.227 1.00 0.57 H new ATOM 372 N GLN A 34 -3.025 7.569 -3.515 1.00 0.71 N ATOM 373 CA GLN A 34 -3.043 9.023 -3.691 1.00 0.77 C ATOM 374 C GLN A 34 -4.471 9.572 -3.678 1.00 0.82 C ATOM 375 O GLN A 34 -5.353 9.117 -4.410 1.00 0.79 O ATOM 376 CB GLN A 34 -2.281 9.380 -4.982 1.00 0.75 C ATOM 377 CG GLN A 34 -0.770 9.494 -4.733 1.00 1.12 C ATOM 378 CD GLN A 34 0.046 9.460 -6.025 1.00 1.20 C ATOM 379 OE1 GLN A 34 -0.460 9.663 -7.119 1.00 1.62 O ATOM 380 NE2 GLN A 34 1.331 9.207 -5.963 1.00 1.41 N ATOM 0 H GLN A 34 -2.613 7.078 -4.308 1.00 0.71 H new ATOM 0 HA GLN A 34 -2.538 9.499 -2.851 1.00 0.77 H new ATOM 0 HB2 GLN A 34 -2.469 8.618 -5.739 1.00 0.75 H new ATOM 0 HB3 GLN A 34 -2.657 10.323 -5.378 1.00 0.75 H new ATOM 0 HG2 GLN A 34 -0.563 10.423 -4.202 1.00 1.12 H new ATOM 0 HG3 GLN A 34 -0.450 8.678 -4.085 1.00 1.12 H new ATOM 0 HE21 GLN A 34 1.774 9.035 -5.060 1.00 1.41 H new ATOM 0 HE22 GLN A 34 1.888 9.183 -6.817 1.00 1.41 H new ATOM 389 N GLY A 35 -4.676 10.546 -2.798 1.00 0.99 N ATOM 390 CA GLY A 35 -5.963 11.211 -2.551 1.00 1.15 C ATOM 391 C GLY A 35 -7.048 10.351 -1.883 1.00 1.10 C ATOM 392 O GLY A 35 -8.197 10.791 -1.800 1.00 1.33 O ATOM 0 H GLY A 35 -3.926 10.912 -2.212 1.00 0.99 H new ATOM 0 HA2 GLY A 35 -5.784 12.085 -1.925 1.00 1.15 H new ATOM 0 HA3 GLY A 35 -6.350 11.575 -3.503 1.00 1.15 H new ATOM 396 N VAL A 36 -6.738 9.140 -1.402 1.00 0.89 N ATOM 397 CA VAL A 36 -7.722 8.210 -0.838 1.00 0.90 C ATOM 398 C VAL A 36 -8.084 8.633 0.581 1.00 0.69 C ATOM 399 O VAL A 36 -7.219 8.876 1.427 1.00 0.55 O ATOM 400 CB VAL A 36 -7.229 6.750 -0.898 1.00 0.99 C ATOM 401 CG1 VAL A 36 -8.192 5.772 -0.210 1.00 1.25 C ATOM 402 CG2 VAL A 36 -7.083 6.298 -2.358 1.00 1.41 C ATOM 0 H VAL A 36 -5.785 8.775 -1.394 1.00 0.89 H new ATOM 0 HA VAL A 36 -8.625 8.252 -1.447 1.00 0.90 H new ATOM 0 HB VAL A 36 -6.272 6.733 -0.377 1.00 0.99 H new ATOM 0 HG11 VAL A 36 -7.795 4.759 -0.282 1.00 1.25 H new ATOM 0 HG12 VAL A 36 -8.300 6.045 0.840 1.00 1.25 H new ATOM 0 HG13 VAL A 36 -9.166 5.816 -0.698 1.00 1.25 H new ATOM 0 HG21 VAL A 36 -6.734 5.266 -2.386 1.00 1.41 H new ATOM 0 HG22 VAL A 36 -8.048 6.369 -2.859 1.00 1.41 H new ATOM 0 HG23 VAL A 36 -6.362 6.938 -2.867 1.00 1.41 H new ATOM 412 N ALA A 37 -9.380 8.721 0.841 1.00 0.86 N ATOM 413 CA ALA A 37 -9.940 9.057 2.148 1.00 0.80 C ATOM 414 C ALA A 37 -9.513 8.027 3.215 1.00 0.71 C ATOM 415 O ALA A 37 -9.825 6.837 3.112 1.00 0.91 O ATOM 416 CB ALA A 37 -11.463 9.175 2.022 1.00 1.04 C ATOM 0 H ALA A 37 -10.094 8.557 0.131 1.00 0.86 H new ATOM 0 HA ALA A 37 -9.549 10.018 2.482 1.00 0.80 H new ATOM 0 HB1 ALA A 37 -11.890 9.426 2.993 1.00 1.04 H new ATOM 0 HB2 ALA A 37 -11.709 9.958 1.304 1.00 1.04 H new ATOM 0 HB3 ALA A 37 -11.874 8.226 1.679 1.00 1.04 H new ATOM 422 N GLY A 38 -8.789 8.499 4.233 1.00 0.57 N ATOM 423 CA GLY A 38 -8.172 7.691 5.292 1.00 0.63 C ATOM 424 C GLY A 38 -6.668 7.442 5.105 1.00 0.53 C ATOM 425 O GLY A 38 -6.056 6.802 5.961 1.00 0.57 O ATOM 0 H GLY A 38 -8.608 9.496 4.348 1.00 0.57 H new ATOM 0 HA2 GLY A 38 -8.329 8.188 6.249 1.00 0.63 H new ATOM 0 HA3 GLY A 38 -8.683 6.730 5.344 1.00 0.63 H new ATOM 429 N VAL A 39 -6.046 7.928 4.022 1.00 0.46 N ATOM 430 CA VAL A 39 -4.588 7.894 3.794 1.00 0.46 C ATOM 431 C VAL A 39 -3.991 9.290 4.005 1.00 0.54 C ATOM 432 O VAL A 39 -4.493 10.273 3.455 1.00 0.81 O ATOM 433 CB VAL A 39 -4.276 7.364 2.380 1.00 0.52 C ATOM 434 CG1 VAL A 39 -2.768 7.345 2.088 1.00 1.85 C ATOM 435 CG2 VAL A 39 -4.799 5.932 2.191 1.00 1.77 C ATOM 0 H VAL A 39 -6.555 8.369 3.256 1.00 0.46 H new ATOM 0 HA VAL A 39 -4.132 7.214 4.514 1.00 0.46 H new ATOM 0 HB VAL A 39 -4.775 8.047 1.693 1.00 0.52 H new ATOM 0 HG11 VAL A 39 -2.597 6.964 1.081 1.00 1.85 H new ATOM 0 HG12 VAL A 39 -2.370 8.357 2.166 1.00 1.85 H new ATOM 0 HG13 VAL A 39 -2.266 6.701 2.810 1.00 1.85 H new ATOM 0 HG21 VAL A 39 -4.563 5.588 1.184 1.00 1.77 H new ATOM 0 HG22 VAL A 39 -4.327 5.273 2.919 1.00 1.77 H new ATOM 0 HG23 VAL A 39 -5.879 5.917 2.335 1.00 1.77 H new ATOM 445 N GLN A 40 -2.912 9.383 4.791 1.00 0.40 N ATOM 446 CA GLN A 40 -2.197 10.630 5.075 1.00 0.40 C ATOM 447 C GLN A 40 -0.847 10.738 4.361 1.00 0.47 C ATOM 448 O GLN A 40 -0.534 11.800 3.824 1.00 0.65 O ATOM 449 CB GLN A 40 -2.004 10.753 6.589 1.00 0.55 C ATOM 450 CG GLN A 40 -3.306 11.080 7.337 1.00 0.91 C ATOM 451 CD GLN A 40 -3.872 12.449 6.990 1.00 2.10 C ATOM 452 OE1 GLN A 40 -4.704 12.598 6.100 1.00 3.87 O ATOM 453 NE2 GLN A 40 -3.445 13.487 7.669 1.00 1.92 N ATOM 0 H GLN A 40 -2.503 8.573 5.258 1.00 0.40 H new ATOM 0 HA GLN A 40 -2.805 11.449 4.691 1.00 0.40 H new ATOM 0 HB2 GLN A 40 -1.595 9.819 6.974 1.00 0.55 H new ATOM 0 HB3 GLN A 40 -1.269 11.531 6.794 1.00 0.55 H new ATOM 0 HG2 GLN A 40 -4.050 10.318 7.107 1.00 0.91 H new ATOM 0 HG3 GLN A 40 -3.122 11.032 8.410 1.00 0.91 H new ATOM 0 HE21 GLN A 40 -2.754 13.363 8.409 1.00 1.92 H new ATOM 0 HE22 GLN A 40 -3.804 14.418 7.457 1.00 1.92 H new ATOM 462 N ASP A 41 -0.052 9.667 4.343 1.00 0.49 N ATOM 463 CA ASP A 41 1.263 9.604 3.696 1.00 0.64 C ATOM 464 C ASP A 41 1.512 8.191 3.136 1.00 0.52 C ATOM 465 O ASP A 41 0.900 7.212 3.569 1.00 0.42 O ATOM 466 CB ASP A 41 2.397 9.958 4.683 1.00 0.80 C ATOM 467 CG ASP A 41 2.386 11.385 5.243 1.00 1.37 C ATOM 468 OD1 ASP A 41 2.734 12.339 4.501 1.00 1.48 O ATOM 469 OD2 ASP A 41 2.137 11.564 6.459 1.00 3.01 O ATOM 0 H ASP A 41 -0.313 8.790 4.793 1.00 0.49 H new ATOM 0 HA ASP A 41 1.264 10.333 2.886 1.00 0.64 H new ATOM 0 HB2 ASP A 41 2.353 9.261 5.520 1.00 0.80 H new ATOM 0 HB3 ASP A 41 3.351 9.794 4.182 1.00 0.80 H new ATOM 474 N VAL A 42 2.443 8.073 2.194 1.00 0.57 N ATOM 475 CA VAL A 42 2.902 6.819 1.574 1.00 0.54 C ATOM 476 C VAL A 42 4.395 6.853 1.221 1.00 0.55 C ATOM 477 O VAL A 42 4.980 7.923 1.031 1.00 0.65 O ATOM 478 CB VAL A 42 2.091 6.476 0.306 1.00 0.59 C ATOM 479 CG1 VAL A 42 0.592 6.357 0.584 1.00 0.91 C ATOM 480 CG2 VAL A 42 2.265 7.436 -0.881 1.00 0.79 C ATOM 0 H VAL A 42 2.927 8.888 1.818 1.00 0.57 H new ATOM 0 HA VAL A 42 2.741 6.044 2.323 1.00 0.54 H new ATOM 0 HB VAL A 42 2.518 5.515 0.018 1.00 0.59 H new ATOM 0 HG11 VAL A 42 0.069 6.115 -0.341 1.00 0.91 H new ATOM 0 HG12 VAL A 42 0.419 5.568 1.316 1.00 0.91 H new ATOM 0 HG13 VAL A 42 0.218 7.303 0.975 1.00 0.91 H new ATOM 0 HG21 VAL A 42 1.650 7.098 -1.715 1.00 0.79 H new ATOM 0 HG22 VAL A 42 1.957 8.439 -0.586 1.00 0.79 H new ATOM 0 HG23 VAL A 42 3.312 7.452 -1.185 1.00 0.79 H new ATOM 490 N GLU A 43 5.017 5.682 1.072 1.00 0.48 N ATOM 491 CA GLU A 43 6.340 5.526 0.448 1.00 0.51 C ATOM 492 C GLU A 43 6.451 4.156 -0.245 1.00 0.51 C ATOM 493 O GLU A 43 6.297 3.116 0.393 1.00 0.69 O ATOM 494 CB GLU A 43 7.454 5.744 1.496 1.00 0.57 C ATOM 495 CG GLU A 43 8.863 5.689 0.886 1.00 0.66 C ATOM 496 CD GLU A 43 9.942 6.236 1.837 1.00 1.64 C ATOM 497 OE1 GLU A 43 9.995 5.844 3.025 1.00 2.74 O ATOM 498 OE2 GLU A 43 10.755 7.089 1.390 1.00 2.41 O ATOM 0 H GLU A 43 4.613 4.799 1.385 1.00 0.48 H new ATOM 0 HA GLU A 43 6.466 6.286 -0.323 1.00 0.51 H new ATOM 0 HB2 GLU A 43 7.309 6.711 1.978 1.00 0.57 H new ATOM 0 HB3 GLU A 43 7.369 4.984 2.273 1.00 0.57 H new ATOM 0 HG2 GLU A 43 9.102 4.658 0.626 1.00 0.66 H new ATOM 0 HG3 GLU A 43 8.876 6.263 -0.041 1.00 0.66 H new ATOM 505 N VAL A 44 6.712 4.130 -1.556 1.00 0.38 N ATOM 506 CA VAL A 44 6.901 2.885 -2.324 1.00 0.37 C ATOM 507 C VAL A 44 8.377 2.546 -2.495 1.00 0.37 C ATOM 508 O VAL A 44 9.194 3.403 -2.829 1.00 0.50 O ATOM 509 CB VAL A 44 6.132 2.913 -3.663 1.00 0.53 C ATOM 510 CG1 VAL A 44 6.587 1.848 -4.664 1.00 1.26 C ATOM 511 CG2 VAL A 44 4.668 2.613 -3.374 1.00 1.59 C ATOM 0 H VAL A 44 6.799 4.974 -2.122 1.00 0.38 H new ATOM 0 HA VAL A 44 6.466 2.073 -1.742 1.00 0.37 H new ATOM 0 HB VAL A 44 6.312 3.896 -4.098 1.00 0.53 H new ATOM 0 HG11 VAL A 44 5.999 1.933 -5.578 1.00 1.26 H new ATOM 0 HG12 VAL A 44 7.642 1.994 -4.896 1.00 1.26 H new ATOM 0 HG13 VAL A 44 6.444 0.858 -4.232 1.00 1.26 H new ATOM 0 HG21 VAL A 44 4.103 2.627 -4.306 1.00 1.59 H new ATOM 0 HG22 VAL A 44 4.582 1.629 -2.913 1.00 1.59 H new ATOM 0 HG23 VAL A 44 4.269 3.368 -2.696 1.00 1.59 H new ATOM 521 N HIS A 45 8.706 1.270 -2.301 1.00 0.36 N ATOM 522 CA HIS A 45 10.005 0.678 -2.605 1.00 0.41 C ATOM 523 C HIS A 45 9.846 -0.471 -3.614 1.00 0.43 C ATOM 524 O HIS A 45 9.589 -1.616 -3.241 1.00 0.52 O ATOM 525 CB HIS A 45 10.634 0.163 -1.309 1.00 0.53 C ATOM 526 CG HIS A 45 11.100 1.208 -0.327 1.00 0.56 C ATOM 527 ND1 HIS A 45 12.416 1.499 -0.045 1.00 0.69 N ATOM 528 CD2 HIS A 45 10.330 1.977 0.506 1.00 0.58 C ATOM 529 CE1 HIS A 45 12.448 2.431 0.918 1.00 0.79 C ATOM 530 NE2 HIS A 45 11.196 2.772 1.272 1.00 0.74 N ATOM 0 H HIS A 45 8.048 0.595 -1.912 1.00 0.36 H new ATOM 0 HA HIS A 45 10.653 1.433 -3.049 1.00 0.41 H new ATOM 0 HB2 HIS A 45 9.908 -0.477 -0.808 1.00 0.53 H new ATOM 0 HB3 HIS A 45 11.486 -0.465 -1.569 1.00 0.53 H new ATOM 0 HD2 HIS A 45 9.251 1.972 0.563 1.00 0.58 H new ATOM 0 HE1 HIS A 45 13.348 2.847 1.347 1.00 0.79 H new ATOM 0 HE2 HIS A 45 10.928 3.473 1.963 1.00 0.74 H new ATOM 538 N LEU A 46 10.035 -0.187 -4.902 1.00 0.44 N ATOM 539 CA LEU A 46 9.966 -1.180 -5.982 1.00 0.51 C ATOM 540 C LEU A 46 11.093 -2.221 -5.873 1.00 0.60 C ATOM 541 O LEU A 46 10.902 -3.408 -6.132 1.00 0.73 O ATOM 542 CB LEU A 46 10.030 -0.389 -7.300 1.00 0.60 C ATOM 543 CG LEU A 46 9.702 -1.125 -8.611 1.00 0.85 C ATOM 544 CD1 LEU A 46 10.892 -1.881 -9.179 1.00 1.42 C ATOM 545 CD2 LEU A 46 8.506 -2.071 -8.493 1.00 1.03 C ATOM 0 H LEU A 46 10.244 0.755 -5.234 1.00 0.44 H new ATOM 0 HA LEU A 46 9.043 -1.757 -5.925 1.00 0.51 H new ATOM 0 HB2 LEU A 46 9.347 0.456 -7.214 1.00 0.60 H new ATOM 0 HB3 LEU A 46 11.035 0.022 -7.392 1.00 0.60 H new ATOM 0 HG LEU A 46 9.434 -0.328 -9.305 1.00 0.85 H new ATOM 0 HD11 LEU A 46 10.599 -2.379 -10.103 1.00 1.42 H new ATOM 0 HD12 LEU A 46 11.702 -1.182 -9.385 1.00 1.42 H new ATOM 0 HD13 LEU A 46 11.229 -2.625 -8.457 1.00 1.42 H new ATOM 0 HD21 LEU A 46 8.330 -2.557 -9.453 1.00 1.03 H new ATOM 0 HD22 LEU A 46 8.714 -2.827 -7.736 1.00 1.03 H new ATOM 0 HD23 LEU A 46 7.621 -1.504 -8.206 1.00 1.03 H new ATOM 557 N GLU A 47 12.257 -1.777 -5.406 1.00 0.64 N ATOM 558 CA GLU A 47 13.432 -2.615 -5.138 1.00 0.77 C ATOM 559 C GLU A 47 13.236 -3.605 -3.981 1.00 0.81 C ATOM 560 O GLU A 47 13.776 -4.713 -4.035 1.00 1.28 O ATOM 561 CB GLU A 47 14.649 -1.701 -4.908 1.00 0.84 C ATOM 562 CG GLU A 47 15.477 -1.486 -6.181 1.00 1.41 C ATOM 563 CD GLU A 47 14.713 -0.888 -7.370 1.00 3.01 C ATOM 564 OE1 GLU A 47 14.218 0.262 -7.291 1.00 3.54 O ATOM 565 OE2 GLU A 47 14.700 -1.528 -8.452 1.00 4.60 O ATOM 0 H GLU A 47 12.418 -0.792 -5.195 1.00 0.64 H new ATOM 0 HA GLU A 47 13.599 -3.245 -6.012 1.00 0.77 H new ATOM 0 HB2 GLU A 47 14.308 -0.736 -4.534 1.00 0.84 H new ATOM 0 HB3 GLU A 47 15.284 -2.136 -4.136 1.00 0.84 H new ATOM 0 HG2 GLU A 47 16.315 -0.831 -5.943 1.00 1.41 H new ATOM 0 HG3 GLU A 47 15.898 -2.444 -6.486 1.00 1.41 H new ATOM 572 N ASP A 48 12.417 -3.278 -2.977 1.00 0.47 N ATOM 573 CA ASP A 48 12.002 -4.192 -1.932 1.00 0.44 C ATOM 574 C ASP A 48 10.706 -4.956 -2.280 1.00 0.36 C ATOM 575 O ASP A 48 10.312 -5.858 -1.536 1.00 0.40 O ATOM 576 CB ASP A 48 11.809 -3.356 -0.666 1.00 0.68 C ATOM 577 CG ASP A 48 13.121 -2.970 0.015 1.00 1.78 C ATOM 578 OD1 ASP A 48 13.791 -3.861 0.587 1.00 1.81 O ATOM 579 OD2 ASP A 48 13.498 -1.778 0.003 1.00 3.70 O ATOM 0 H ASP A 48 12.019 -2.344 -2.874 1.00 0.47 H new ATOM 0 HA ASP A 48 12.765 -4.959 -1.799 1.00 0.44 H new ATOM 0 HB2 ASP A 48 11.260 -2.449 -0.919 1.00 0.68 H new ATOM 0 HB3 ASP A 48 11.194 -3.915 0.039 1.00 0.68 H new ATOM 584 N GLN A 49 10.029 -4.584 -3.376 1.00 0.31 N ATOM 585 CA GLN A 49 8.632 -4.934 -3.678 1.00 0.28 C ATOM 586 C GLN A 49 7.686 -4.637 -2.495 1.00 0.28 C ATOM 587 O GLN A 49 6.790 -5.421 -2.170 1.00 0.34 O ATOM 588 CB GLN A 49 8.528 -6.378 -4.195 1.00 0.32 C ATOM 589 CG GLN A 49 9.462 -6.704 -5.383 1.00 0.35 C ATOM 590 CD GLN A 49 10.824 -7.321 -5.052 1.00 1.34 C ATOM 591 OE1 GLN A 49 11.130 -7.750 -3.944 1.00 1.90 O ATOM 592 NE2 GLN A 49 11.700 -7.430 -6.024 1.00 2.31 N ATOM 0 H GLN A 49 10.454 -4.010 -4.104 1.00 0.31 H new ATOM 0 HA GLN A 49 8.290 -4.287 -4.486 1.00 0.28 H new ATOM 0 HB2 GLN A 49 8.752 -7.061 -3.375 1.00 0.32 H new ATOM 0 HB3 GLN A 49 7.498 -6.569 -4.496 1.00 0.32 H new ATOM 0 HG2 GLN A 49 8.935 -7.386 -6.050 1.00 0.35 H new ATOM 0 HG3 GLN A 49 9.634 -5.783 -5.940 1.00 0.35 H new ATOM 0 HE21 GLN A 49 11.474 -7.082 -6.956 1.00 2.31 H new ATOM 0 HE22 GLN A 49 12.607 -7.862 -5.847 1.00 2.31 H new ATOM 601 N MET A 50 7.931 -3.510 -1.820 1.00 0.33 N ATOM 602 CA MET A 50 7.310 -3.130 -0.552 1.00 0.30 C ATOM 603 C MET A 50 6.645 -1.750 -0.628 1.00 0.29 C ATOM 604 O MET A 50 7.088 -0.872 -1.371 1.00 0.34 O ATOM 605 CB MET A 50 8.362 -3.174 0.568 1.00 0.40 C ATOM 606 CG MET A 50 7.834 -2.702 1.934 1.00 0.45 C ATOM 607 SD MET A 50 8.674 -3.402 3.372 1.00 1.00 S ATOM 608 CE MET A 50 7.848 -5.015 3.376 1.00 0.62 C ATOM 0 H MET A 50 8.594 -2.812 -2.157 1.00 0.33 H new ATOM 0 HA MET A 50 6.518 -3.846 -0.331 1.00 0.30 H new ATOM 0 HB2 MET A 50 8.733 -4.194 0.665 1.00 0.40 H new ATOM 0 HB3 MET A 50 9.210 -2.552 0.282 1.00 0.40 H new ATOM 0 HG2 MET A 50 7.914 -1.616 1.980 1.00 0.45 H new ATOM 0 HG3 MET A 50 6.774 -2.946 1.999 1.00 0.45 H new ATOM 0 HE1 MET A 50 8.540 -5.777 3.735 1.00 0.62 H new ATOM 0 HE2 MET A 50 6.978 -4.977 4.031 1.00 0.62 H new ATOM 0 HE3 MET A 50 7.529 -5.263 2.364 1.00 0.62 H new ATOM 618 N VAL A 51 5.598 -1.534 0.171 1.00 0.30 N ATOM 619 CA VAL A 51 4.860 -0.272 0.243 1.00 0.40 C ATOM 620 C VAL A 51 4.541 0.103 1.689 1.00 0.35 C ATOM 621 O VAL A 51 3.982 -0.700 2.434 1.00 0.35 O ATOM 622 CB VAL A 51 3.567 -0.350 -0.594 1.00 0.51 C ATOM 623 CG1 VAL A 51 3.002 1.052 -0.795 1.00 0.76 C ATOM 624 CG2 VAL A 51 3.814 -0.949 -1.979 1.00 0.94 C ATOM 0 H VAL A 51 5.232 -2.248 0.800 1.00 0.30 H new ATOM 0 HA VAL A 51 5.496 0.510 -0.173 1.00 0.40 H new ATOM 0 HB VAL A 51 2.872 -0.988 -0.048 1.00 0.51 H new ATOM 0 HG11 VAL A 51 2.088 0.995 -1.387 1.00 0.76 H new ATOM 0 HG12 VAL A 51 2.779 1.497 0.175 1.00 0.76 H new ATOM 0 HG13 VAL A 51 3.734 1.668 -1.317 1.00 0.76 H new ATOM 0 HG21 VAL A 51 2.876 -0.984 -2.533 1.00 0.94 H new ATOM 0 HG22 VAL A 51 4.531 -0.332 -2.520 1.00 0.94 H new ATOM 0 HG23 VAL A 51 4.211 -1.959 -1.873 1.00 0.94 H new ATOM 634 N LEU A 52 4.881 1.335 2.066 1.00 0.41 N ATOM 635 CA LEU A 52 4.467 1.989 3.303 1.00 0.37 C ATOM 636 C LEU A 52 3.183 2.771 3.053 1.00 0.31 C ATOM 637 O LEU A 52 3.098 3.551 2.100 1.00 0.32 O ATOM 638 CB LEU A 52 5.548 2.961 3.807 1.00 0.38 C ATOM 639 CG LEU A 52 6.871 2.332 4.291 1.00 0.49 C ATOM 640 CD1 LEU A 52 7.851 1.966 3.172 1.00 1.04 C ATOM 641 CD2 LEU A 52 7.576 3.330 5.210 1.00 1.02 C ATOM 0 H LEU A 52 5.479 1.929 1.491 1.00 0.41 H new ATOM 0 HA LEU A 52 4.308 1.220 4.059 1.00 0.37 H new ATOM 0 HB2 LEU A 52 5.777 3.661 3.004 1.00 0.38 H new ATOM 0 HB3 LEU A 52 5.127 3.543 4.627 1.00 0.38 H new ATOM 0 HG LEU A 52 6.596 1.404 4.792 1.00 0.49 H new ATOM 0 HD11 LEU A 52 8.752 1.531 3.605 1.00 1.04 H new ATOM 0 HD12 LEU A 52 7.385 1.244 2.502 1.00 1.04 H new ATOM 0 HD13 LEU A 52 8.115 2.863 2.612 1.00 1.04 H new ATOM 0 HD21 LEU A 52 8.514 2.901 5.562 1.00 1.02 H new ATOM 0 HD22 LEU A 52 7.781 4.249 4.660 1.00 1.02 H new ATOM 0 HD23 LEU A 52 6.936 3.553 6.064 1.00 1.02 H new ATOM 653 N VAL A 53 2.201 2.583 3.932 1.00 0.27 N ATOM 654 CA VAL A 53 0.900 3.243 3.859 1.00 0.26 C ATOM 655 C VAL A 53 0.560 3.769 5.249 1.00 0.23 C ATOM 656 O VAL A 53 0.274 2.994 6.158 1.00 0.24 O ATOM 657 CB VAL A 53 -0.173 2.277 3.318 1.00 0.31 C ATOM 658 CG1 VAL A 53 -1.492 3.028 3.094 1.00 0.33 C ATOM 659 CG2 VAL A 53 0.214 1.628 1.982 1.00 0.36 C ATOM 0 H VAL A 53 2.290 1.955 4.731 1.00 0.27 H new ATOM 0 HA VAL A 53 0.932 4.080 3.162 1.00 0.26 H new ATOM 0 HB VAL A 53 -0.273 1.494 4.070 1.00 0.31 H new ATOM 0 HG11 VAL A 53 -2.244 2.337 2.712 1.00 0.33 H new ATOM 0 HG12 VAL A 53 -1.835 3.451 4.038 1.00 0.33 H new ATOM 0 HG13 VAL A 53 -1.336 3.830 2.373 1.00 0.33 H new ATOM 0 HG21 VAL A 53 -0.584 0.960 1.657 1.00 0.36 H new ATOM 0 HG22 VAL A 53 0.366 2.404 1.231 1.00 0.36 H new ATOM 0 HG23 VAL A 53 1.135 1.059 2.107 1.00 0.36 H new ATOM 669 N HIS A 54 0.615 5.087 5.424 1.00 0.23 N ATOM 670 CA HIS A 54 0.264 5.769 6.670 1.00 0.29 C ATOM 671 C HIS A 54 -1.247 6.083 6.650 1.00 0.28 C ATOM 672 O HIS A 54 -1.685 7.036 5.998 1.00 0.27 O ATOM 673 CB HIS A 54 1.147 7.017 6.826 1.00 0.38 C ATOM 674 CG HIS A 54 2.634 6.745 6.782 1.00 0.48 C ATOM 675 ND1 HIS A 54 3.491 6.738 7.855 1.00 0.76 N ATOM 676 CD2 HIS A 54 3.389 6.470 5.673 1.00 0.43 C ATOM 677 CE1 HIS A 54 4.726 6.460 7.405 1.00 0.82 C ATOM 678 NE2 HIS A 54 4.722 6.301 6.069 1.00 0.62 N ATOM 0 H HIS A 54 0.912 5.727 4.687 1.00 0.23 H new ATOM 0 HA HIS A 54 0.452 5.142 7.541 1.00 0.29 H new ATOM 0 HB2 HIS A 54 0.897 7.724 6.035 1.00 0.38 H new ATOM 0 HB3 HIS A 54 0.907 7.500 7.773 1.00 0.38 H new ATOM 0 HD2 HIS A 54 3.018 6.396 4.661 1.00 0.43 H new ATOM 0 HE1 HIS A 54 5.602 6.376 8.030 1.00 0.82 H new ATOM 0 HE2 HIS A 54 5.522 6.099 5.470 1.00 0.62 H new ATOM 686 N THR A 55 -2.063 5.248 7.306 1.00 0.36 N ATOM 687 CA THR A 55 -3.530 5.224 7.122 1.00 0.42 C ATOM 688 C THR A 55 -4.317 4.845 8.386 1.00 0.48 C ATOM 689 O THR A 55 -3.822 4.128 9.257 1.00 0.50 O ATOM 690 CB THR A 55 -3.906 4.277 5.966 1.00 0.44 C ATOM 691 OG1 THR A 55 -5.297 4.260 5.739 1.00 0.53 O ATOM 692 CG2 THR A 55 -3.499 2.821 6.193 1.00 0.44 C ATOM 0 H THR A 55 -1.728 4.564 7.984 1.00 0.36 H new ATOM 0 HA THR A 55 -3.816 6.248 6.883 1.00 0.42 H new ATOM 0 HB THR A 55 -3.356 4.680 5.116 1.00 0.44 H new ATOM 0 HG1 THR A 55 -5.615 5.174 5.585 1.00 0.53 H new ATOM 0 HG21 THR A 55 -3.799 2.221 5.334 1.00 0.44 H new ATOM 0 HG22 THR A 55 -2.418 2.761 6.317 1.00 0.44 H new ATOM 0 HG23 THR A 55 -3.989 2.442 7.090 1.00 0.44 H new ATOM 700 N THR A 56 -5.561 5.329 8.491 1.00 0.50 N ATOM 701 CA THR A 56 -6.497 5.032 9.593 1.00 0.44 C ATOM 702 C THR A 56 -7.301 3.743 9.388 1.00 0.41 C ATOM 703 O THR A 56 -7.886 3.229 10.344 1.00 0.41 O ATOM 704 CB THR A 56 -7.480 6.193 9.813 1.00 0.56 C ATOM 705 OG1 THR A 56 -8.292 6.344 8.672 1.00 0.67 O ATOM 706 CG2 THR A 56 -6.782 7.531 10.023 1.00 0.64 C ATOM 0 H THR A 56 -5.960 5.957 7.793 1.00 0.50 H new ATOM 0 HA THR A 56 -5.866 4.894 10.471 1.00 0.44 H new ATOM 0 HB THR A 56 -8.051 5.941 10.707 1.00 0.56 H new ATOM 0 HG1 THR A 56 -8.920 7.083 8.813 1.00 0.67 H new ATOM 0 HG21 THR A 56 -7.528 8.311 10.173 1.00 0.64 H new ATOM 0 HG22 THR A 56 -6.138 7.472 10.900 1.00 0.64 H new ATOM 0 HG23 THR A 56 -6.180 7.769 9.146 1.00 0.64 H new ATOM 714 N LEU A 57 -7.322 3.209 8.162 1.00 0.44 N ATOM 715 CA LEU A 57 -8.101 2.032 7.754 1.00 0.46 C ATOM 716 C LEU A 57 -7.552 0.728 8.375 1.00 0.45 C ATOM 717 O LEU A 57 -6.352 0.663 8.665 1.00 0.50 O ATOM 718 CB LEU A 57 -8.094 1.963 6.211 1.00 0.51 C ATOM 719 CG LEU A 57 -8.677 3.199 5.494 1.00 0.46 C ATOM 720 CD1 LEU A 57 -8.672 2.956 3.983 1.00 0.64 C ATOM 721 CD2 LEU A 57 -10.105 3.530 5.930 1.00 0.44 C ATOM 0 H LEU A 57 -6.775 3.600 7.395 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.123 2.132 8.121 1.00 0.46 H new ATOM 0 HB2 LEU A 57 -7.067 1.819 5.875 1.00 0.51 H new ATOM 0 HB3 LEU A 57 -8.658 1.083 5.900 1.00 0.51 H new ATOM 0 HG LEU A 57 -8.047 4.046 5.765 1.00 0.46 H new ATOM 0 HD11 LEU A 57 -9.083 3.827 3.473 1.00 0.64 H new ATOM 0 HD12 LEU A 57 -7.650 2.787 3.645 1.00 0.64 H new ATOM 0 HD13 LEU A 57 -9.280 2.081 3.753 1.00 0.64 H new ATOM 0 HD21 LEU A 57 -10.456 4.409 5.389 1.00 0.44 H new ATOM 0 HD22 LEU A 57 -10.757 2.685 5.711 1.00 0.44 H new ATOM 0 HD23 LEU A 57 -10.121 3.733 7.001 1.00 0.44 H new ATOM 733 N PRO A 58 -8.367 -0.332 8.558 1.00 0.43 N ATOM 734 CA PRO A 58 -7.899 -1.620 9.067 1.00 0.42 C ATOM 735 C PRO A 58 -7.038 -2.297 8.009 1.00 0.34 C ATOM 736 O PRO A 58 -7.359 -2.222 6.823 1.00 0.33 O ATOM 737 CB PRO A 58 -9.154 -2.466 9.332 1.00 0.50 C ATOM 738 CG PRO A 58 -10.301 -1.458 9.268 1.00 0.53 C ATOM 739 CD PRO A 58 -9.771 -0.487 8.221 1.00 0.48 C ATOM 0 HA PRO A 58 -7.304 -1.501 9.973 1.00 0.42 H new ATOM 0 HB2 PRO A 58 -9.271 -3.251 8.585 1.00 0.50 H new ATOM 0 HB3 PRO A 58 -9.107 -2.956 10.305 1.00 0.50 H new ATOM 0 HG2 PRO A 58 -11.241 -1.920 8.965 1.00 0.53 H new ATOM 0 HG3 PRO A 58 -10.479 -0.974 10.228 1.00 0.53 H new ATOM 0 HD2 PRO A 58 -9.897 -0.881 7.212 1.00 0.48 H new ATOM 0 HD3 PRO A 58 -10.298 0.467 8.259 1.00 0.48 H new ATOM 747 N SER A 59 -5.992 -3.026 8.397 1.00 0.35 N ATOM 748 CA SER A 59 -5.044 -3.576 7.415 1.00 0.33 C ATOM 749 C SER A 59 -5.689 -4.560 6.427 1.00 0.32 C ATOM 750 O SER A 59 -5.233 -4.663 5.291 1.00 0.45 O ATOM 751 CB SER A 59 -3.818 -4.192 8.095 1.00 0.44 C ATOM 752 OG SER A 59 -3.528 -3.525 9.313 1.00 0.99 O ATOM 0 H SER A 59 -5.777 -3.250 9.369 1.00 0.35 H new ATOM 0 HA SER A 59 -4.709 -2.726 6.820 1.00 0.33 H new ATOM 0 HB2 SER A 59 -3.997 -5.250 8.288 1.00 0.44 H new ATOM 0 HB3 SER A 59 -2.958 -4.131 7.428 1.00 0.44 H new ATOM 0 HG SER A 59 -3.731 -4.117 10.067 1.00 0.99 H new ATOM 758 N GLN A 60 -6.809 -5.190 6.806 1.00 0.36 N ATOM 759 CA GLN A 60 -7.627 -6.030 5.918 1.00 0.55 C ATOM 760 C GLN A 60 -8.329 -5.223 4.808 1.00 0.46 C ATOM 761 O GLN A 60 -8.500 -5.732 3.700 1.00 0.58 O ATOM 762 CB GLN A 60 -8.683 -6.824 6.708 1.00 0.89 C ATOM 763 CG GLN A 60 -8.176 -7.413 8.035 1.00 0.97 C ATOM 764 CD GLN A 60 -8.309 -6.446 9.207 1.00 1.33 C ATOM 765 OE1 GLN A 60 -9.273 -5.710 9.351 1.00 2.11 O ATOM 766 NE2 GLN A 60 -7.341 -6.364 10.079 1.00 2.30 N ATOM 0 H GLN A 60 -7.179 -5.130 7.755 1.00 0.36 H new ATOM 0 HA GLN A 60 -6.929 -6.720 5.445 1.00 0.55 H new ATOM 0 HB2 GLN A 60 -9.531 -6.171 6.915 1.00 0.89 H new ATOM 0 HB3 GLN A 60 -9.052 -7.636 6.082 1.00 0.89 H new ATOM 0 HG2 GLN A 60 -8.732 -8.324 8.258 1.00 0.97 H new ATOM 0 HG3 GLN A 60 -7.130 -7.698 7.923 1.00 0.97 H new ATOM 0 HE21 GLN A 60 -6.521 -6.964 9.989 1.00 2.30 H new ATOM 0 HE22 GLN A 60 -7.405 -5.700 10.851 1.00 2.30 H new ATOM 775 N GLU A 61 -8.710 -3.965 5.076 1.00 0.37 N ATOM 776 CA GLU A 61 -9.320 -3.060 4.097 1.00 0.38 C ATOM 777 C GLU A 61 -8.266 -2.581 3.094 1.00 0.35 C ATOM 778 O GLU A 61 -8.506 -2.587 1.886 1.00 0.40 O ATOM 779 CB GLU A 61 -9.959 -1.875 4.847 1.00 0.48 C ATOM 780 CG GLU A 61 -10.893 -1.015 3.986 1.00 0.72 C ATOM 781 CD GLU A 61 -11.648 0.100 4.741 1.00 1.29 C ATOM 782 OE1 GLU A 61 -11.955 -0.053 5.949 1.00 2.39 O ATOM 783 OE2 GLU A 61 -12.041 1.100 4.081 1.00 2.25 O ATOM 0 H GLU A 61 -8.600 -3.543 5.998 1.00 0.37 H new ATOM 0 HA GLU A 61 -10.095 -3.582 3.536 1.00 0.38 H new ATOM 0 HB2 GLU A 61 -10.520 -2.259 5.699 1.00 0.48 H new ATOM 0 HB3 GLU A 61 -9.166 -1.242 5.246 1.00 0.48 H new ATOM 0 HG2 GLU A 61 -10.307 -0.558 3.189 1.00 0.72 H new ATOM 0 HG3 GLU A 61 -11.625 -1.668 3.510 1.00 0.72 H new ATOM 790 N VAL A 62 -7.068 -2.236 3.585 1.00 0.29 N ATOM 791 CA VAL A 62 -5.941 -1.797 2.769 1.00 0.27 C ATOM 792 C VAL A 62 -5.398 -2.945 1.924 1.00 0.25 C ATOM 793 O VAL A 62 -5.118 -2.734 0.752 1.00 0.27 O ATOM 794 CB VAL A 62 -4.793 -1.241 3.638 1.00 0.25 C ATOM 795 CG1 VAL A 62 -3.898 -0.339 2.790 1.00 0.29 C ATOM 796 CG2 VAL A 62 -5.219 -0.437 4.864 1.00 0.36 C ATOM 0 H VAL A 62 -6.857 -2.257 4.583 1.00 0.29 H new ATOM 0 HA VAL A 62 -6.315 -1.005 2.120 1.00 0.27 H new ATOM 0 HB VAL A 62 -4.280 -2.129 4.008 1.00 0.25 H new ATOM 0 HG11 VAL A 62 -3.088 0.052 3.406 1.00 0.29 H new ATOM 0 HG12 VAL A 62 -3.480 -0.914 1.964 1.00 0.29 H new ATOM 0 HG13 VAL A 62 -4.486 0.489 2.395 1.00 0.29 H new ATOM 0 HG21 VAL A 62 -4.334 -0.095 5.401 1.00 0.36 H new ATOM 0 HG22 VAL A 62 -5.807 0.425 4.548 1.00 0.36 H new ATOM 0 HG23 VAL A 62 -5.821 -1.066 5.520 1.00 0.36 H new ATOM 806 N GLN A 63 -5.307 -4.165 2.467 1.00 0.24 N ATOM 807 CA GLN A 63 -4.880 -5.352 1.719 1.00 0.30 C ATOM 808 C GLN A 63 -5.742 -5.551 0.473 1.00 0.39 C ATOM 809 O GLN A 63 -5.203 -5.746 -0.611 1.00 0.42 O ATOM 810 CB GLN A 63 -4.934 -6.592 2.629 1.00 0.37 C ATOM 811 CG GLN A 63 -4.539 -7.879 1.881 1.00 0.52 C ATOM 812 CD GLN A 63 -4.338 -9.080 2.810 1.00 0.97 C ATOM 813 OE1 GLN A 63 -4.829 -9.141 3.933 1.00 1.05 O ATOM 814 NE2 GLN A 63 -3.585 -10.069 2.390 1.00 2.13 N ATOM 0 H GLN A 63 -5.529 -4.357 3.444 1.00 0.24 H new ATOM 0 HA GLN A 63 -3.852 -5.206 1.389 1.00 0.30 H new ATOM 0 HB2 GLN A 63 -4.266 -6.447 3.478 1.00 0.37 H new ATOM 0 HB3 GLN A 63 -5.941 -6.702 3.031 1.00 0.37 H new ATOM 0 HG2 GLN A 63 -5.312 -8.118 1.150 1.00 0.52 H new ATOM 0 HG3 GLN A 63 -3.619 -7.700 1.325 1.00 0.52 H new ATOM 0 HE21 GLN A 63 -3.169 -10.034 1.459 1.00 2.13 H new ATOM 0 HE22 GLN A 63 -3.415 -10.873 2.994 1.00 2.13 H new ATOM 823 N ALA A 64 -7.064 -5.436 0.597 1.00 0.47 N ATOM 824 CA ALA A 64 -7.967 -5.629 -0.526 1.00 0.58 C ATOM 825 C ALA A 64 -7.998 -4.390 -1.448 1.00 0.54 C ATOM 826 O ALA A 64 -8.204 -4.530 -2.657 1.00 0.60 O ATOM 827 CB ALA A 64 -9.340 -5.981 0.039 1.00 0.76 C ATOM 0 H ALA A 64 -7.532 -5.208 1.474 1.00 0.47 H new ATOM 0 HA ALA A 64 -7.620 -6.446 -1.159 1.00 0.58 H new ATOM 0 HB1 ALA A 64 -10.043 -6.133 -0.780 1.00 0.76 H new ATOM 0 HB2 ALA A 64 -9.267 -6.895 0.629 1.00 0.76 H new ATOM 0 HB3 ALA A 64 -9.692 -5.167 0.673 1.00 0.76 H new ATOM 833 N LEU A 65 -7.720 -3.187 -0.917 1.00 0.48 N ATOM 834 CA LEU A 65 -7.508 -1.984 -1.720 1.00 0.51 C ATOM 835 C LEU A 65 -6.266 -2.104 -2.621 1.00 0.45 C ATOM 836 O LEU A 65 -6.339 -1.813 -3.816 1.00 0.59 O ATOM 837 CB LEU A 65 -7.443 -0.741 -0.819 1.00 0.52 C ATOM 838 CG LEU A 65 -8.820 -0.238 -0.350 1.00 0.63 C ATOM 839 CD1 LEU A 65 -8.647 0.818 0.740 1.00 0.68 C ATOM 840 CD2 LEU A 65 -9.618 0.393 -1.491 1.00 0.74 C ATOM 0 H LEU A 65 -7.637 -3.028 0.087 1.00 0.48 H new ATOM 0 HA LEU A 65 -8.362 -1.872 -2.388 1.00 0.51 H new ATOM 0 HB2 LEU A 65 -6.834 -0.970 0.055 1.00 0.52 H new ATOM 0 HB3 LEU A 65 -6.939 0.061 -1.358 1.00 0.52 H new ATOM 0 HG LEU A 65 -9.362 -1.105 0.027 1.00 0.63 H new ATOM 0 HD11 LEU A 65 -9.626 1.168 1.066 1.00 0.68 H new ATOM 0 HD12 LEU A 65 -8.117 0.383 1.587 1.00 0.68 H new ATOM 0 HD13 LEU A 65 -8.074 1.657 0.346 1.00 0.68 H new ATOM 0 HD21 LEU A 65 -10.583 0.734 -1.115 1.00 0.74 H new ATOM 0 HD22 LEU A 65 -9.066 1.241 -1.896 1.00 0.74 H new ATOM 0 HD23 LEU A 65 -9.775 -0.346 -2.277 1.00 0.74 H new ATOM 852 N LEU A 66 -5.159 -2.592 -2.055 1.00 0.29 N ATOM 853 CA LEU A 66 -3.898 -2.912 -2.730 1.00 0.27 C ATOM 854 C LEU A 66 -4.077 -4.063 -3.731 1.00 0.29 C ATOM 855 O LEU A 66 -3.572 -3.995 -4.848 1.00 0.36 O ATOM 856 CB LEU A 66 -2.852 -3.283 -1.660 1.00 0.25 C ATOM 857 CG LEU A 66 -2.372 -2.096 -0.801 1.00 0.28 C ATOM 858 CD1 LEU A 66 -1.811 -2.594 0.532 1.00 0.26 C ATOM 859 CD2 LEU A 66 -1.278 -1.305 -1.522 1.00 0.38 C ATOM 0 H LEU A 66 -5.116 -2.786 -1.054 1.00 0.29 H new ATOM 0 HA LEU A 66 -3.562 -2.043 -3.296 1.00 0.27 H new ATOM 0 HB2 LEU A 66 -3.275 -4.043 -1.004 1.00 0.25 H new ATOM 0 HB3 LEU A 66 -1.989 -3.732 -2.153 1.00 0.25 H new ATOM 0 HG LEU A 66 -3.232 -1.450 -0.626 1.00 0.28 H new ATOM 0 HD11 LEU A 66 -1.477 -1.744 1.126 1.00 0.26 H new ATOM 0 HD12 LEU A 66 -2.587 -3.133 1.075 1.00 0.26 H new ATOM 0 HD13 LEU A 66 -0.969 -3.260 0.346 1.00 0.26 H new ATOM 0 HD21 LEU A 66 -0.957 -0.473 -0.895 1.00 0.38 H new ATOM 0 HD22 LEU A 66 -0.428 -1.958 -1.722 1.00 0.38 H new ATOM 0 HD23 LEU A 66 -1.668 -0.919 -2.464 1.00 0.38 H new ATOM 871 N GLU A 67 -4.845 -5.093 -3.379 1.00 0.30 N ATOM 872 CA GLU A 67 -5.184 -6.198 -4.282 1.00 0.41 C ATOM 873 C GLU A 67 -6.008 -5.750 -5.500 1.00 0.42 C ATOM 874 O GLU A 67 -5.794 -6.252 -6.607 1.00 0.52 O ATOM 875 CB GLU A 67 -5.916 -7.289 -3.489 1.00 0.60 C ATOM 876 CG GLU A 67 -4.954 -8.243 -2.764 1.00 0.55 C ATOM 877 CD GLU A 67 -5.493 -9.669 -2.767 1.00 1.00 C ATOM 878 OE1 GLU A 67 -6.502 -9.946 -2.074 1.00 1.73 O ATOM 879 OE2 GLU A 67 -4.886 -10.543 -3.430 1.00 2.06 O ATOM 0 H GLU A 67 -5.255 -5.187 -2.450 1.00 0.30 H new ATOM 0 HA GLU A 67 -4.253 -6.595 -4.687 1.00 0.41 H new ATOM 0 HB2 GLU A 67 -6.575 -6.821 -2.758 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -6.548 -7.863 -4.167 1.00 0.60 H new ATOM 0 HG2 GLU A 67 -3.978 -8.218 -3.249 1.00 0.55 H new ATOM 0 HG3 GLU A 67 -4.809 -7.908 -1.737 1.00 0.55 H new ATOM 886 N GLY A 68 -6.876 -4.744 -5.334 1.00 0.42 N ATOM 887 CA GLY A 68 -7.637 -4.103 -6.415 1.00 0.51 C ATOM 888 C GLY A 68 -6.791 -3.307 -7.424 1.00 0.42 C ATOM 889 O GLY A 68 -7.320 -2.836 -8.434 1.00 0.55 O ATOM 0 H GLY A 68 -7.074 -4.342 -4.418 1.00 0.42 H new ATOM 0 HA2 GLY A 68 -8.190 -4.872 -6.955 1.00 0.51 H new ATOM 0 HA3 GLY A 68 -8.373 -3.432 -5.972 1.00 0.51 H new ATOM 893 N THR A 69 -5.475 -3.203 -7.207 1.00 0.33 N ATOM 894 CA THR A 69 -4.506 -2.703 -8.205 1.00 0.40 C ATOM 895 C THR A 69 -4.146 -3.774 -9.253 1.00 0.46 C ATOM 896 O THR A 69 -3.499 -3.458 -10.250 1.00 0.68 O ATOM 897 CB THR A 69 -3.253 -2.097 -7.534 1.00 0.44 C ATOM 898 OG1 THR A 69 -2.405 -3.079 -6.987 1.00 0.60 O ATOM 899 CG2 THR A 69 -3.657 -1.105 -6.451 1.00 0.73 C ATOM 0 H THR A 69 -5.041 -3.466 -6.322 1.00 0.33 H new ATOM 0 HA THR A 69 -4.997 -1.894 -8.747 1.00 0.40 H new ATOM 0 HB THR A 69 -2.696 -1.582 -8.316 1.00 0.44 H new ATOM 0 HG1 THR A 69 -2.610 -3.195 -6.036 1.00 0.60 H new ATOM 0 HG21 THR A 69 -2.763 -0.687 -5.988 1.00 0.73 H new ATOM 0 HG22 THR A 69 -4.245 -0.302 -6.895 1.00 0.73 H new ATOM 0 HG23 THR A 69 -4.253 -1.615 -5.694 1.00 0.73 H new ATOM 907 N GLY A 70 -4.594 -5.026 -9.067 1.00 0.42 N ATOM 908 CA GLY A 70 -4.435 -6.133 -10.022 1.00 0.51 C ATOM 909 C GLY A 70 -3.272 -7.087 -9.716 1.00 0.50 C ATOM 910 O GLY A 70 -2.692 -7.657 -10.641 1.00 0.73 O ATOM 0 H GLY A 70 -5.092 -5.304 -8.221 1.00 0.42 H new ATOM 0 HA2 GLY A 70 -5.361 -6.708 -10.047 1.00 0.51 H new ATOM 0 HA3 GLY A 70 -4.291 -5.716 -11.019 1.00 0.51 H new ATOM 914 N ARG A 71 -2.875 -7.223 -8.445 1.00 0.36 N ATOM 915 CA ARG A 71 -1.770 -8.069 -7.950 1.00 0.37 C ATOM 916 C ARG A 71 -2.063 -8.595 -6.544 1.00 0.37 C ATOM 917 O ARG A 71 -3.008 -8.145 -5.904 1.00 0.52 O ATOM 918 CB ARG A 71 -0.458 -7.263 -7.976 1.00 0.61 C ATOM 919 CG ARG A 71 -0.568 -5.920 -7.224 1.00 1.25 C ATOM 920 CD ARG A 71 0.675 -5.038 -7.366 1.00 1.14 C ATOM 921 NE ARG A 71 1.009 -4.734 -8.771 1.00 1.21 N ATOM 922 CZ ARG A 71 0.343 -4.005 -9.644 1.00 1.43 C ATOM 923 NH1 ARG A 71 -0.724 -3.324 -9.362 1.00 3.12 N ATOM 924 NH2 ARG A 71 0.746 -3.949 -10.868 1.00 1.24 N ATOM 0 H ARG A 71 -3.339 -6.720 -7.688 1.00 0.36 H new ATOM 0 HA ARG A 71 -1.669 -8.936 -8.603 1.00 0.37 H new ATOM 0 HB2 ARG A 71 0.339 -7.859 -7.531 1.00 0.61 H new ATOM 0 HB3 ARG A 71 -0.174 -7.073 -9.011 1.00 0.61 H new ATOM 0 HG2 ARG A 71 -1.435 -5.374 -7.596 1.00 1.25 H new ATOM 0 HG3 ARG A 71 -0.745 -6.118 -6.167 1.00 1.25 H new ATOM 0 HD2 ARG A 71 0.515 -4.105 -6.826 1.00 1.14 H new ATOM 0 HD3 ARG A 71 1.523 -5.536 -6.896 1.00 1.14 H new ATOM 0 HE ARG A 71 1.877 -5.146 -9.115 1.00 1.21 H new ATOM 0 HH11 ARG A 71 -1.098 -3.332 -8.413 1.00 3.12 H new ATOM 0 HH12 ARG A 71 -1.189 -2.781 -10.089 1.00 3.12 H new ATOM 0 HH21 ARG A 71 1.576 -4.467 -11.156 1.00 1.24 H new ATOM 0 HH22 ARG A 71 0.235 -3.387 -11.548 1.00 1.24 H new ATOM 938 N GLN A 72 -1.218 -9.491 -6.047 1.00 0.35 N ATOM 939 CA GLN A 72 -1.230 -9.935 -4.651 1.00 0.39 C ATOM 940 C GLN A 72 -0.569 -8.911 -3.712 1.00 0.35 C ATOM 941 O GLN A 72 0.289 -8.112 -4.103 1.00 0.34 O ATOM 942 CB GLN A 72 -0.599 -11.335 -4.510 1.00 0.56 C ATOM 943 CG GLN A 72 -1.525 -12.390 -3.879 1.00 1.42 C ATOM 944 CD GLN A 72 -1.668 -12.204 -2.375 1.00 2.14 C ATOM 945 OE1 GLN A 72 -0.851 -12.669 -1.592 1.00 3.24 O ATOM 946 NE2 GLN A 72 -2.654 -11.464 -1.923 1.00 2.84 N ATOM 0 H GLN A 72 -0.493 -9.938 -6.608 1.00 0.35 H new ATOM 0 HA GLN A 72 -2.273 -10.010 -4.342 1.00 0.39 H new ATOM 0 HB2 GLN A 72 -0.292 -11.683 -5.496 1.00 0.56 H new ATOM 0 HB3 GLN A 72 0.304 -11.254 -3.905 1.00 0.56 H new ATOM 0 HG2 GLN A 72 -2.508 -12.333 -4.345 1.00 1.42 H new ATOM 0 HG3 GLN A 72 -1.132 -13.386 -4.084 1.00 1.42 H new ATOM 0 HE21 GLN A 72 -3.338 -11.074 -2.572 1.00 2.84 H new ATOM 0 HE22 GLN A 72 -2.736 -11.279 -0.923 1.00 2.84 H new ATOM 955 N ALA A 73 -0.994 -8.993 -2.457 1.00 0.39 N ATOM 956 CA ALA A 73 -0.650 -8.127 -1.328 1.00 0.33 C ATOM 957 C ALA A 73 -0.736 -8.890 0.005 1.00 0.36 C ATOM 958 O ALA A 73 -1.730 -9.568 0.276 1.00 0.46 O ATOM 959 CB ALA A 73 -1.619 -6.932 -1.316 1.00 0.38 C ATOM 0 H ALA A 73 -1.643 -9.728 -2.176 1.00 0.39 H new ATOM 0 HA ALA A 73 0.377 -7.780 -1.443 1.00 0.33 H new ATOM 0 HB1 ALA A 73 -1.377 -6.276 -0.480 1.00 0.38 H new ATOM 0 HB2 ALA A 73 -1.526 -6.379 -2.251 1.00 0.38 H new ATOM 0 HB3 ALA A 73 -2.642 -7.294 -1.209 1.00 0.38 H new ATOM 965 N VAL A 74 0.286 -8.731 0.850 1.00 0.40 N ATOM 966 CA VAL A 74 0.402 -9.317 2.197 1.00 0.55 C ATOM 967 C VAL A 74 1.006 -8.276 3.137 1.00 0.56 C ATOM 968 O VAL A 74 2.014 -7.649 2.813 1.00 0.58 O ATOM 969 CB VAL A 74 1.290 -10.580 2.169 1.00 0.69 C ATOM 970 CG1 VAL A 74 1.562 -11.147 3.570 1.00 0.86 C ATOM 971 CG2 VAL A 74 0.638 -11.697 1.351 1.00 0.74 C ATOM 0 H VAL A 74 1.097 -8.163 0.606 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.588 -9.607 2.549 1.00 0.55 H new ATOM 0 HB VAL A 74 2.229 -10.260 1.718 1.00 0.69 H new ATOM 0 HG11 VAL A 74 2.191 -12.034 3.488 1.00 0.86 H new ATOM 0 HG12 VAL A 74 2.071 -10.396 4.174 1.00 0.86 H new ATOM 0 HG13 VAL A 74 0.618 -11.415 4.044 1.00 0.86 H new ATOM 0 HG21 VAL A 74 1.287 -12.573 1.350 1.00 0.74 H new ATOM 0 HG22 VAL A 74 -0.323 -11.958 1.793 1.00 0.74 H new ATOM 0 HG23 VAL A 74 0.486 -11.357 0.327 1.00 0.74 H new ATOM 981 N LEU A 75 0.408 -8.072 4.309 1.00 0.60 N ATOM 982 CA LEU A 75 0.940 -7.172 5.337 1.00 0.61 C ATOM 983 C LEU A 75 2.046 -7.869 6.129 1.00 0.62 C ATOM 984 O LEU A 75 1.914 -9.011 6.578 1.00 0.77 O ATOM 985 CB LEU A 75 -0.226 -6.673 6.201 1.00 0.68 C ATOM 986 CG LEU A 75 0.046 -5.707 7.371 1.00 0.70 C ATOM 987 CD1 LEU A 75 0.391 -6.417 8.671 1.00 2.58 C ATOM 988 CD2 LEU A 75 0.972 -4.531 7.093 1.00 2.01 C ATOM 0 H LEU A 75 -0.464 -8.528 4.576 1.00 0.60 H new ATOM 0 HA LEU A 75 1.410 -6.296 4.890 1.00 0.61 H new ATOM 0 HB2 LEU A 75 -0.938 -6.185 5.536 1.00 0.68 H new ATOM 0 HB3 LEU A 75 -0.724 -7.551 6.613 1.00 0.68 H new ATOM 0 HG LEU A 75 -0.927 -5.233 7.499 1.00 0.70 H new ATOM 0 HD11 LEU A 75 0.570 -5.679 9.452 1.00 2.58 H new ATOM 0 HD12 LEU A 75 -0.437 -7.062 8.964 1.00 2.58 H new ATOM 0 HD13 LEU A 75 1.288 -7.020 8.529 1.00 2.58 H new ATOM 0 HD21 LEU A 75 1.079 -3.931 7.997 1.00 2.01 H new ATOM 0 HD22 LEU A 75 1.950 -4.902 6.786 1.00 2.01 H new ATOM 0 HD23 LEU A 75 0.551 -3.917 6.297 1.00 2.01 H new ATOM 1000 N LYS A 76 3.145 -7.148 6.306 1.00 0.46 N ATOM 1001 CA LYS A 76 4.371 -7.614 6.979 1.00 0.40 C ATOM 1002 C LYS A 76 4.488 -7.119 8.424 1.00 0.41 C ATOM 1003 O LYS A 76 5.153 -7.763 9.236 1.00 0.55 O ATOM 1004 CB LYS A 76 5.604 -7.205 6.162 1.00 0.40 C ATOM 1005 CG LYS A 76 5.670 -7.773 4.733 1.00 0.45 C ATOM 1006 CD LYS A 76 5.880 -9.294 4.619 1.00 0.50 C ATOM 1007 CE LYS A 76 7.196 -9.833 5.203 1.00 1.25 C ATOM 1008 NZ LYS A 76 8.398 -9.134 4.686 1.00 2.79 N ATOM 0 H LYS A 76 3.220 -6.186 5.976 1.00 0.46 H new ATOM 0 HA LYS A 76 4.313 -8.701 7.034 1.00 0.40 H new ATOM 0 HB2 LYS A 76 5.635 -6.117 6.104 1.00 0.40 H new ATOM 0 HB3 LYS A 76 6.497 -7.521 6.701 1.00 0.40 H new ATOM 0 HG2 LYS A 76 4.745 -7.515 4.218 1.00 0.45 H new ATOM 0 HG3 LYS A 76 6.481 -7.274 4.202 1.00 0.45 H new ATOM 0 HD2 LYS A 76 5.051 -9.795 5.119 1.00 0.50 H new ATOM 0 HD3 LYS A 76 5.832 -9.571 3.566 1.00 0.50 H new ATOM 0 HE2 LYS A 76 7.169 -9.739 6.289 1.00 1.25 H new ATOM 0 HE3 LYS A 76 7.277 -10.896 4.977 1.00 1.25 H new ATOM 0 HZ1 LYS A 76 9.251 -9.544 5.118 1.00 2.79 H new ATOM 0 HZ2 LYS A 76 8.446 -9.244 3.653 1.00 2.79 H new ATOM 0 HZ3 LYS A 76 8.341 -8.123 4.924 1.00 2.79 H new ATOM 1022 N GLY A 77 3.820 -6.014 8.751 1.00 0.38 N ATOM 1023 CA GLY A 77 3.587 -5.524 10.102 1.00 0.39 C ATOM 1024 C GLY A 77 3.421 -4.008 10.156 1.00 0.49 C ATOM 1025 O GLY A 77 3.297 -3.333 9.131 1.00 0.60 O ATOM 0 H GLY A 77 3.407 -5.408 8.042 1.00 0.38 H new ATOM 0 HA2 GLY A 77 2.693 -5.998 10.507 1.00 0.39 H new ATOM 0 HA3 GLY A 77 4.421 -5.817 10.740 1.00 0.39 H new ATOM 1029 N MET A 78 3.396 -3.484 11.376 1.00 0.59 N ATOM 1030 CA MET A 78 3.132 -2.080 11.672 1.00 0.66 C ATOM 1031 C MET A 78 4.423 -1.332 12.019 1.00 0.81 C ATOM 1032 O MET A 78 5.133 -1.685 12.967 1.00 1.22 O ATOM 1033 CB MET A 78 2.079 -1.973 12.780 1.00 0.69 C ATOM 1034 CG MET A 78 0.684 -2.373 12.286 1.00 0.70 C ATOM 1035 SD MET A 78 0.411 -4.153 12.078 1.00 1.10 S ATOM 1036 CE MET A 78 -1.157 -4.078 11.188 1.00 1.05 C ATOM 0 H MET A 78 3.564 -4.042 12.213 1.00 0.59 H new ATOM 0 HA MET A 78 2.730 -1.598 10.781 1.00 0.66 H new ATOM 0 HB2 MET A 78 2.365 -2.612 13.615 1.00 0.69 H new ATOM 0 HB3 MET A 78 2.051 -0.950 13.156 1.00 0.69 H new ATOM 0 HG2 MET A 78 -0.055 -1.989 12.989 1.00 0.70 H new ATOM 0 HG3 MET A 78 0.501 -1.881 11.331 1.00 0.70 H new ATOM 0 HE1 MET A 78 -1.497 -5.089 10.964 1.00 1.05 H new ATOM 0 HE2 MET A 78 -1.901 -3.573 11.804 1.00 1.05 H new ATOM 0 HE3 MET A 78 -1.021 -3.527 10.257 1.00 1.05 H new ATOM 1046 N GLY A 79 4.732 -0.302 11.234 1.00 0.70 N ATOM 1047 CA GLY A 79 5.980 0.456 11.312 1.00 0.88 C ATOM 1048 C GLY A 79 6.069 1.400 12.516 1.00 1.57 C ATOM 1049 O GLY A 79 5.057 1.771 13.122 1.00 2.52 O ATOM 0 H GLY A 79 4.104 0.038 10.506 1.00 0.70 H new ATOM 0 HA2 GLY A 79 6.815 -0.244 11.351 1.00 0.88 H new ATOM 0 HA3 GLY A 79 6.095 1.039 10.398 1.00 0.88 H new TER 1053 GLY A 79 HETATM 1054 CU CU1 A 101 5.020 -3.450 -14.118 1.00 0.98 CU