USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 45 MET CE :methyl 173:sc= -0.468 (180deg=-0.153) USER MOD Set 1.2: A 80 MET CE :methyl 180:sc= -5.58! (180deg=-5.42!) USER MOD Set 2.1: A 69 SER OG : rot -145:sc= 0.0514 USER MOD Set 2.2: A 71 THR OG1 : rot -78:sc= 0.00538 USER MOD Set 3.1: A 50 GLN : amide:sc= 1.03 K(o=2.3,f=-1.8) USER MOD Set 3.2: A 84 SER OG : rot -178:sc= 1.26 USER MOD Set 4.1: A 16 GLN : amide:sc= -3.72! K(o=-4.7!,f=-6.6) USER MOD Set 4.2: A 85 MET CE :methyl -117:sc= -1.02 (180deg=-0.28) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -4.29! C(o=-4.3!,f=-8.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.7! USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.185 (180deg=-1.56!) USER MOD Single : A 18 ASN : amide:sc= 0.533 K(o=0.53,f=-0.07) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.309 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 161:sc= -3.36! (180deg=-5.52!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 53 THR OG1 : rot 151:sc= 0.258 USER MOD Single : A 58 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.025) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -132:sc= -0.969 (180deg=-5.27!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 71:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 68.914 21.667 2.014 1.00 4.98 N ATOM 2 CA ALA A 2 68.739 20.998 0.692 1.00 4.92 C ATOM 3 C ALA A 2 68.550 19.491 0.883 1.00 4.09 C ATOM 4 O ALA A 2 68.233 19.027 1.960 1.00 4.52 O ATOM 5 CB ALA A 2 70.033 21.285 -0.070 1.00 5.75 C ATOM 0 HA ALA A 2 67.862 21.362 0.157 1.00 4.92 H new ATOM 0 HB1 ALA A 2 69.984 20.825 -1.057 1.00 5.75 H new ATOM 0 HB2 ALA A 2 70.160 22.362 -0.178 1.00 5.75 H new ATOM 0 HB3 ALA A 2 70.879 20.873 0.481 1.00 5.75 H new ATOM 13 N ASP A 3 68.743 18.723 -0.155 1.00 3.31 N ATOM 14 CA ASP A 3 68.574 17.246 -0.032 1.00 2.98 C ATOM 15 C ASP A 3 69.864 16.610 0.492 1.00 2.31 C ATOM 16 O ASP A 3 70.941 17.151 0.341 1.00 2.93 O ATOM 17 CB ASP A 3 68.273 16.762 -1.451 1.00 3.17 C ATOM 18 CG ASP A 3 66.885 16.122 -1.488 1.00 3.95 C ATOM 19 OD1 ASP A 3 66.605 15.311 -0.622 1.00 4.32 O ATOM 20 OD2 ASP A 3 66.124 16.456 -2.382 1.00 4.60 O ATOM 0 H ASP A 3 69.010 19.054 -1.082 1.00 3.31 H new ATOM 0 HA ASP A 3 67.781 16.976 0.666 1.00 2.98 H new ATOM 0 HB2 ASP A 3 68.318 17.598 -2.149 1.00 3.17 H new ATOM 0 HB3 ASP A 3 69.026 16.041 -1.768 1.00 3.17 H new ATOM 25 N ILE A 4 69.762 15.464 1.108 1.00 1.43 N ATOM 26 CA ILE A 4 70.982 14.792 1.641 1.00 1.28 C ATOM 27 C ILE A 4 71.239 13.486 0.885 1.00 1.13 C ATOM 28 O ILE A 4 72.282 13.295 0.292 1.00 1.61 O ATOM 29 CB ILE A 4 70.667 14.508 3.110 1.00 1.66 C ATOM 30 CG1 ILE A 4 70.077 15.763 3.756 1.00 2.36 C ATOM 31 CG2 ILE A 4 71.952 14.115 3.841 1.00 1.86 C ATOM 32 CD1 ILE A 4 69.838 15.506 5.246 1.00 2.80 C ATOM 0 H ILE A 4 68.887 14.964 1.265 1.00 1.43 H new ATOM 0 HA ILE A 4 71.875 15.406 1.527 1.00 1.28 H new ATOM 0 HB ILE A 4 69.948 13.692 3.176 1.00 1.66 H new ATOM 0 HG12 ILE A 4 70.756 16.606 3.626 1.00 2.36 H new ATOM 0 HG13 ILE A 4 69.140 16.030 3.267 1.00 2.36 H new ATOM 0 HG21 ILE A 4 71.727 13.913 4.888 1.00 1.86 H new ATOM 0 HG22 ILE A 4 72.374 13.221 3.381 1.00 1.86 H new ATOM 0 HG23 ILE A 4 72.672 14.931 3.775 1.00 1.86 H new ATOM 0 HD11 ILE A 4 69.418 16.400 5.707 1.00 2.80 H new ATOM 0 HD12 ILE A 4 69.142 14.675 5.365 1.00 2.80 H new ATOM 0 HD13 ILE A 4 70.784 15.259 5.729 1.00 2.80 H new ATOM 44 N TYR A 5 70.293 12.586 0.902 1.00 0.88 N ATOM 45 CA TYR A 5 70.483 11.293 0.184 1.00 0.86 C ATOM 46 C TYR A 5 70.140 11.455 -1.299 1.00 0.78 C ATOM 47 O TYR A 5 70.903 11.082 -2.168 1.00 0.79 O ATOM 48 CB TYR A 5 69.511 10.321 0.854 1.00 1.02 C ATOM 49 CG TYR A 5 69.640 10.432 2.355 1.00 1.22 C ATOM 50 CD1 TYR A 5 70.656 9.740 3.024 1.00 1.94 C ATOM 51 CD2 TYR A 5 68.741 11.225 3.076 1.00 1.64 C ATOM 52 CE1 TYR A 5 70.774 9.841 4.415 1.00 2.20 C ATOM 53 CE2 TYR A 5 68.858 11.327 4.468 1.00 1.80 C ATOM 54 CZ TYR A 5 69.875 10.634 5.137 1.00 1.77 C ATOM 55 OH TYR A 5 69.990 10.734 6.508 1.00 2.07 O ATOM 0 H TYR A 5 69.399 12.690 1.381 1.00 0.88 H new ATOM 0 HA TYR A 5 71.513 10.941 0.235 1.00 0.86 H new ATOM 0 HB2 TYR A 5 68.489 10.545 0.549 1.00 1.02 H new ATOM 0 HB3 TYR A 5 69.723 9.301 0.535 1.00 1.02 H new ATOM 0 HD1 TYR A 5 71.349 9.128 2.467 1.00 1.94 H new ATOM 0 HD2 TYR A 5 67.957 11.758 2.559 1.00 1.64 H new ATOM 0 HE1 TYR A 5 71.558 9.307 4.931 1.00 2.20 H new ATOM 0 HE2 TYR A 5 68.165 11.940 5.025 1.00 1.80 H new ATOM 0 HH TYR A 5 69.288 11.325 6.853 1.00 2.07 H new ATOM 65 N LYS A 6 68.997 12.010 -1.595 1.00 0.89 N ATOM 66 CA LYS A 6 68.607 12.196 -3.023 1.00 1.01 C ATOM 67 C LYS A 6 69.775 12.783 -3.819 1.00 0.98 C ATOM 68 O LYS A 6 69.989 12.444 -4.966 1.00 1.00 O ATOM 69 CB LYS A 6 67.433 13.176 -2.989 1.00 1.28 C ATOM 70 CG LYS A 6 66.311 12.659 -3.891 1.00 1.60 C ATOM 71 CD LYS A 6 66.821 12.550 -5.329 1.00 2.04 C ATOM 72 CE LYS A 6 65.959 11.551 -6.104 1.00 2.60 C ATOM 73 NZ LYS A 6 66.305 11.776 -7.535 1.00 3.24 N ATOM 0 H LYS A 6 68.317 12.343 -0.912 1.00 0.89 H new ATOM 0 HA LYS A 6 68.338 11.255 -3.503 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.070 13.290 -1.968 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.758 14.161 -3.323 1.00 1.28 H new ATOM 0 HG2 LYS A 6 65.968 11.685 -3.541 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.455 13.333 -3.848 1.00 1.60 H new ATOM 0 HD2 LYS A 6 66.788 13.526 -5.812 1.00 2.04 H new ATOM 0 HD3 LYS A 6 67.862 12.227 -5.333 1.00 2.04 H new ATOM 0 HE2 LYS A 6 66.174 10.526 -5.802 1.00 2.60 H new ATOM 0 HE3 LYS A 6 64.898 11.721 -5.923 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 65.754 11.127 -8.132 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 66.083 12.758 -7.795 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 67.320 11.600 -7.679 1.00 3.24 H new ATOM 87 N ALA A 7 70.533 13.661 -3.221 1.00 1.07 N ATOM 88 CA ALA A 7 71.686 14.267 -3.946 1.00 1.20 C ATOM 89 C ALA A 7 72.705 13.185 -4.315 1.00 1.08 C ATOM 90 O ALA A 7 73.367 13.263 -5.331 1.00 1.19 O ATOM 91 CB ALA A 7 72.295 15.263 -2.960 1.00 1.36 C ATOM 0 H ALA A 7 70.404 13.985 -2.262 1.00 1.07 H new ATOM 0 HA ALA A 7 71.383 14.748 -4.876 1.00 1.20 H new ATOM 0 HB1 ALA A 7 73.153 15.753 -3.421 1.00 1.36 H new ATOM 0 HB2 ALA A 7 71.550 16.012 -2.693 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.617 14.735 -2.062 1.00 1.36 H new ATOM 97 N ALA A 8 72.837 12.179 -3.497 1.00 0.95 N ATOM 98 CA ALA A 8 73.812 11.093 -3.802 1.00 0.96 C ATOM 99 C ALA A 8 73.206 10.092 -4.792 1.00 0.90 C ATOM 100 O ALA A 8 73.894 9.532 -5.623 1.00 1.01 O ATOM 101 CB ALA A 8 74.082 10.417 -2.458 1.00 0.98 C ATOM 0 H ALA A 8 72.312 12.061 -2.630 1.00 0.95 H new ATOM 0 HA ALA A 8 74.724 11.476 -4.260 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.793 9.603 -2.597 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.496 11.146 -1.761 1.00 0.98 H new ATOM 0 HB3 ALA A 8 73.150 10.020 -2.057 1.00 0.98 H new ATOM 107 N VAL A 9 71.925 9.860 -4.706 1.00 0.83 N ATOM 108 CA VAL A 9 71.276 8.890 -5.637 1.00 0.82 C ATOM 109 C VAL A 9 71.028 9.534 -7.004 1.00 0.97 C ATOM 110 O VAL A 9 71.113 8.884 -8.029 1.00 1.02 O ATOM 111 CB VAL A 9 69.949 8.531 -4.969 1.00 0.84 C ATOM 112 CG1 VAL A 9 69.134 7.636 -5.903 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.222 7.787 -3.659 1.00 0.70 C ATOM 0 H VAL A 9 71.298 10.299 -4.032 1.00 0.83 H new ATOM 0 HA VAL A 9 71.900 8.014 -5.813 1.00 0.82 H new ATOM 0 HB VAL A 9 69.389 9.443 -4.759 1.00 0.84 H new ATOM 0 HG11 VAL A 9 68.188 7.380 -5.427 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.939 8.165 -6.836 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.693 6.724 -6.113 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.276 7.531 -3.182 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.782 6.875 -3.868 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.803 8.425 -2.993 1.00 0.70 H new ATOM 123 N GLU A 10 70.718 10.801 -7.035 1.00 1.12 N ATOM 124 CA GLU A 10 70.460 11.471 -8.343 1.00 1.32 C ATOM 125 C GLU A 10 71.670 11.309 -9.268 1.00 1.37 C ATOM 126 O GLU A 10 71.582 11.507 -10.465 1.00 1.56 O ATOM 127 CB GLU A 10 70.229 12.945 -8.000 1.00 1.51 C ATOM 128 CG GLU A 10 71.570 13.633 -7.735 1.00 1.80 C ATOM 129 CD GLU A 10 71.326 15.058 -7.235 1.00 2.02 C ATOM 130 OE1 GLU A 10 70.268 15.592 -7.522 1.00 2.61 O ATOM 131 OE2 GLU A 10 72.203 15.590 -6.572 1.00 2.28 O ATOM 0 H GLU A 10 70.632 11.401 -6.214 1.00 1.12 H new ATOM 0 HA GLU A 10 69.605 11.042 -8.866 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.711 13.442 -8.820 1.00 1.51 H new ATOM 0 HB3 GLU A 10 69.588 13.027 -7.122 1.00 1.51 H new ATOM 0 HG2 GLU A 10 72.139 13.070 -6.995 1.00 1.80 H new ATOM 0 HG3 GLU A 10 72.166 13.654 -8.647 1.00 1.80 H new ATOM 138 N GLN A 11 72.801 10.952 -8.723 1.00 1.29 N ATOM 139 CA GLN A 11 74.016 10.780 -9.571 1.00 1.45 C ATOM 140 C GLN A 11 74.216 9.302 -9.914 1.00 1.35 C ATOM 141 O GLN A 11 75.008 8.956 -10.768 1.00 1.53 O ATOM 142 CB GLN A 11 75.173 11.293 -8.712 1.00 1.61 C ATOM 143 CG GLN A 11 75.001 12.793 -8.466 1.00 2.13 C ATOM 144 CD GLN A 11 75.479 13.137 -7.054 1.00 2.44 C ATOM 145 OE1 GLN A 11 75.361 12.336 -6.148 1.00 2.96 O ATOM 146 NE2 GLN A 11 76.020 14.303 -6.828 1.00 2.71 N ATOM 0 H GLN A 11 72.937 10.772 -7.728 1.00 1.29 H new ATOM 0 HA GLN A 11 73.940 11.317 -10.516 1.00 1.45 H new ATOM 0 HB2 GLN A 11 75.199 10.759 -7.762 1.00 1.61 H new ATOM 0 HB3 GLN A 11 76.123 11.102 -9.211 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.570 13.361 -9.202 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.955 13.074 -8.586 1.00 2.13 H new ATOM 0 HE21 GLN A 11 76.119 14.975 -7.589 1.00 2.71 H new ATOM 0 HE22 GLN A 11 76.344 14.542 -5.891 1.00 2.71 H new ATOM 155 N LEU A 12 73.505 8.428 -9.258 1.00 1.18 N ATOM 156 CA LEU A 12 73.657 6.973 -9.549 1.00 1.21 C ATOM 157 C LEU A 12 73.718 6.741 -11.061 1.00 1.11 C ATOM 158 O LEU A 12 73.395 7.610 -11.846 1.00 1.25 O ATOM 159 CB LEU A 12 72.408 6.315 -8.958 1.00 1.32 C ATOM 160 CG LEU A 12 72.713 5.797 -7.551 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.513 5.005 -7.030 1.00 1.49 C ATOM 162 CD2 LEU A 12 73.941 4.885 -7.595 1.00 1.68 C ATOM 0 H LEU A 12 72.825 8.657 -8.533 1.00 1.18 H new ATOM 0 HA LEU A 12 74.573 6.562 -9.125 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.589 7.034 -8.922 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.082 5.493 -9.596 1.00 1.32 H new ATOM 0 HG LEU A 12 72.911 6.641 -6.890 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.729 4.635 -6.028 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.636 5.652 -6.997 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.317 4.162 -7.693 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.157 4.517 -6.592 1.00 1.68 H new ATOM 0 HD22 LEU A 12 73.744 4.041 -8.257 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.798 5.446 -7.968 1.00 1.68 H new ATOM 174 N THR A 13 74.128 5.574 -11.474 1.00 1.05 N ATOM 175 CA THR A 13 74.206 5.285 -12.935 1.00 1.13 C ATOM 176 C THR A 13 72.974 4.494 -13.382 1.00 0.94 C ATOM 177 O THR A 13 72.416 3.720 -12.629 1.00 0.87 O ATOM 178 CB THR A 13 75.475 4.448 -13.108 1.00 1.38 C ATOM 179 OG1 THR A 13 75.595 3.542 -12.019 1.00 1.89 O ATOM 180 CG2 THR A 13 76.695 5.370 -13.143 1.00 1.68 C ATOM 0 H THR A 13 74.413 4.808 -10.864 1.00 1.05 H new ATOM 0 HA THR A 13 74.235 6.194 -13.535 1.00 1.13 H new ATOM 0 HB THR A 13 75.418 3.889 -14.042 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.407 3.004 -12.129 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.599 4.773 -13.266 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.602 6.065 -13.978 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.755 5.930 -12.210 1.00 1.68 H new ATOM 188 N GLU A 14 72.543 4.684 -14.599 1.00 0.94 N ATOM 189 CA GLU A 14 71.345 3.942 -15.087 1.00 0.90 C ATOM 190 C GLU A 14 71.425 2.471 -14.672 1.00 0.82 C ATOM 191 O GLU A 14 70.434 1.858 -14.328 1.00 0.82 O ATOM 192 CB GLU A 14 71.393 4.073 -16.610 1.00 1.05 C ATOM 193 CG GLU A 14 69.973 3.979 -17.175 1.00 2.10 C ATOM 194 CD GLU A 14 69.599 5.306 -17.837 1.00 2.64 C ATOM 195 OE1 GLU A 14 70.263 5.677 -18.790 1.00 2.91 O ATOM 196 OE2 GLU A 14 68.655 5.928 -17.379 1.00 3.31 O ATOM 0 H GLU A 14 72.967 5.319 -15.275 1.00 0.94 H new ATOM 0 HA GLU A 14 70.418 4.337 -14.672 1.00 0.90 H new ATOM 0 HB2 GLU A 14 71.845 5.025 -16.890 1.00 1.05 H new ATOM 0 HB3 GLU A 14 72.017 3.287 -17.034 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.912 3.168 -17.901 1.00 2.10 H new ATOM 0 HG3 GLU A 14 69.267 3.747 -16.377 1.00 2.10 H new ATOM 203 N GLU A 15 72.597 1.899 -14.700 1.00 0.92 N ATOM 204 CA GLU A 15 72.738 0.468 -14.306 1.00 1.01 C ATOM 205 C GLU A 15 72.419 0.292 -12.819 1.00 0.90 C ATOM 206 O GLU A 15 72.144 -0.798 -12.358 1.00 0.89 O ATOM 207 CB GLU A 15 74.201 0.123 -14.586 1.00 1.23 C ATOM 208 CG GLU A 15 74.510 0.363 -16.065 1.00 1.92 C ATOM 209 CD GLU A 15 75.588 -0.617 -16.529 1.00 2.37 C ATOM 210 OE1 GLU A 15 76.170 -1.272 -15.680 1.00 2.90 O ATOM 211 OE2 GLU A 15 75.814 -0.696 -17.724 1.00 2.80 O ATOM 0 H GLU A 15 73.463 2.360 -14.979 1.00 0.92 H new ATOM 0 HA GLU A 15 72.054 -0.180 -14.854 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.855 0.734 -13.964 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.396 -0.918 -14.327 1.00 1.23 H new ATOM 0 HG2 GLU A 15 73.607 0.235 -16.661 1.00 1.92 H new ATOM 0 HG3 GLU A 15 74.848 1.389 -16.215 1.00 1.92 H new ATOM 218 N GLN A 16 72.452 1.357 -12.066 1.00 0.89 N ATOM 219 CA GLN A 16 72.151 1.251 -10.609 1.00 0.87 C ATOM 220 C GLN A 16 70.641 1.351 -10.372 1.00 0.68 C ATOM 221 O GLN A 16 70.045 0.504 -9.737 1.00 0.67 O ATOM 222 CB GLN A 16 72.873 2.437 -9.970 1.00 0.97 C ATOM 223 CG GLN A 16 74.373 2.142 -9.896 1.00 1.77 C ATOM 224 CD GLN A 16 74.697 1.484 -8.554 1.00 2.15 C ATOM 225 OE1 GLN A 16 75.257 2.110 -7.677 1.00 2.42 O ATOM 226 NE2 GLN A 16 74.367 0.237 -8.358 1.00 2.61 N ATOM 0 H GLN A 16 72.674 2.296 -12.396 1.00 0.89 H new ATOM 0 HA GLN A 16 72.476 0.300 -10.188 1.00 0.87 H new ATOM 0 HB2 GLN A 16 72.698 3.341 -10.554 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.478 2.621 -8.971 1.00 0.97 H new ATOM 0 HG2 GLN A 16 74.666 1.486 -10.715 1.00 1.77 H new ATOM 0 HG3 GLN A 16 74.942 3.065 -10.008 1.00 1.77 H new ATOM 0 HE21 GLN A 16 73.897 -0.288 -9.095 1.00 2.61 H new ATOM 0 HE22 GLN A 16 74.579 -0.213 -7.468 1.00 2.61 H new ATOM 235 N LYS A 17 70.018 2.380 -10.880 1.00 0.63 N ATOM 236 CA LYS A 17 68.548 2.534 -10.682 1.00 0.62 C ATOM 237 C LYS A 17 67.806 1.310 -11.231 1.00 0.60 C ATOM 238 O LYS A 17 66.969 0.734 -10.568 1.00 0.66 O ATOM 239 CB LYS A 17 68.173 3.787 -11.473 1.00 0.74 C ATOM 240 CG LYS A 17 68.898 4.999 -10.883 1.00 1.21 C ATOM 241 CD LYS A 17 67.952 5.754 -9.948 1.00 1.31 C ATOM 242 CE LYS A 17 68.682 6.954 -9.341 1.00 1.43 C ATOM 243 NZ LYS A 17 69.182 7.731 -10.509 1.00 2.06 N ATOM 0 H LYS A 17 70.463 3.120 -11.423 1.00 0.63 H new ATOM 0 HA LYS A 17 68.280 2.620 -9.629 1.00 0.62 H new ATOM 0 HB2 LYS A 17 68.444 3.663 -12.521 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.095 3.943 -11.439 1.00 0.74 H new ATOM 0 HG2 LYS A 17 69.784 4.676 -10.337 1.00 1.21 H new ATOM 0 HG3 LYS A 17 69.238 5.657 -11.682 1.00 1.21 H new ATOM 0 HD2 LYS A 17 67.073 6.090 -10.497 1.00 1.31 H new ATOM 0 HD3 LYS A 17 67.600 5.091 -9.157 1.00 1.31 H new ATOM 0 HE2 LYS A 17 68.012 7.554 -8.725 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.503 6.634 -8.699 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 69.273 8.733 -10.246 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 70.111 7.363 -10.799 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 68.512 7.640 -11.299 1.00 2.06 H new ATOM 257 N ASN A 18 68.109 0.911 -12.436 1.00 0.70 N ATOM 258 CA ASN A 18 67.420 -0.274 -13.023 1.00 0.85 C ATOM 259 C ASN A 18 67.628 -1.501 -12.131 1.00 0.70 C ATOM 260 O ASN A 18 66.702 -2.228 -11.832 1.00 0.66 O ATOM 261 CB ASN A 18 68.078 -0.484 -14.387 1.00 1.11 C ATOM 262 CG ASN A 18 67.483 0.496 -15.398 1.00 1.68 C ATOM 263 OD1 ASN A 18 66.289 0.498 -15.630 1.00 2.15 O ATOM 264 ND2 ASN A 18 68.268 1.338 -16.014 1.00 2.13 N ATOM 0 H ASN A 18 68.803 1.353 -13.039 1.00 0.70 H new ATOM 0 HA ASN A 18 66.344 -0.123 -13.111 1.00 0.85 H new ATOM 0 HB2 ASN A 18 69.155 -0.334 -14.310 1.00 1.11 H new ATOM 0 HB3 ASN A 18 67.922 -1.509 -14.723 1.00 1.11 H new ATOM 0 HD21 ASN A 18 67.880 1.997 -16.689 1.00 2.13 H new ATOM 0 HD22 ASN A 18 69.269 1.337 -15.820 1.00 2.13 H new ATOM 271 N GLU A 19 68.839 -1.736 -11.703 1.00 0.76 N ATOM 272 CA GLU A 19 69.104 -2.915 -10.830 1.00 0.79 C ATOM 273 C GLU A 19 68.421 -2.730 -9.473 1.00 0.65 C ATOM 274 O GLU A 19 67.893 -3.662 -8.900 1.00 0.66 O ATOM 275 CB GLU A 19 70.624 -2.954 -10.666 1.00 0.98 C ATOM 276 CG GLU A 19 71.191 -4.149 -11.434 1.00 1.21 C ATOM 277 CD GLU A 19 71.656 -5.218 -10.445 1.00 1.82 C ATOM 278 OE1 GLU A 19 72.601 -4.955 -9.719 1.00 2.44 O ATOM 279 OE2 GLU A 19 71.060 -6.283 -10.429 1.00 2.53 O ATOM 0 H GLU A 19 69.655 -1.163 -11.920 1.00 0.76 H new ATOM 0 HA GLU A 19 68.718 -3.841 -11.257 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.064 -2.028 -11.037 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.884 -3.030 -9.610 1.00 0.98 H new ATOM 0 HG2 GLU A 19 70.432 -4.560 -12.100 1.00 1.21 H new ATOM 0 HG3 GLU A 19 72.025 -3.830 -12.060 1.00 1.21 H new ATOM 286 N PHE A 20 68.429 -1.532 -8.955 1.00 0.67 N ATOM 287 CA PHE A 20 67.780 -1.287 -7.634 1.00 0.75 C ATOM 288 C PHE A 20 66.257 -1.298 -7.784 1.00 0.66 C ATOM 289 O PHE A 20 65.576 -2.141 -7.236 1.00 0.79 O ATOM 290 CB PHE A 20 68.269 0.096 -7.204 1.00 0.97 C ATOM 291 CG PHE A 20 69.714 0.008 -6.776 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.124 -1.004 -5.899 1.00 2.35 C ATOM 293 CD2 PHE A 20 70.646 0.936 -7.257 1.00 2.24 C ATOM 294 CE1 PHE A 20 71.464 -1.086 -5.502 1.00 3.36 C ATOM 295 CE2 PHE A 20 71.986 0.854 -6.860 1.00 3.29 C ATOM 296 CZ PHE A 20 72.394 -0.157 -5.982 1.00 3.69 C ATOM 0 H PHE A 20 68.856 -0.713 -9.388 1.00 0.67 H new ATOM 0 HA PHE A 20 68.031 -2.053 -6.900 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.165 0.803 -8.027 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.658 0.471 -6.383 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.406 -1.721 -5.529 1.00 2.35 H new ATOM 0 HD2 PHE A 20 70.331 1.716 -7.935 1.00 2.24 H new ATOM 0 HE1 PHE A 20 71.780 -1.866 -4.825 1.00 3.36 H new ATOM 0 HE2 PHE A 20 72.704 1.570 -7.231 1.00 3.29 H new ATOM 0 HZ PHE A 20 73.427 -0.220 -5.675 1.00 3.69 H new ATOM 306 N LYS A 21 65.716 -0.367 -8.523 1.00 0.60 N ATOM 307 CA LYS A 21 64.236 -0.331 -8.706 1.00 0.65 C ATOM 308 C LYS A 21 63.720 -1.722 -9.078 1.00 0.57 C ATOM 309 O LYS A 21 62.625 -2.106 -8.721 1.00 0.57 O ATOM 310 CB LYS A 21 64.000 0.655 -9.851 1.00 0.78 C ATOM 311 CG LYS A 21 64.075 2.086 -9.319 1.00 1.27 C ATOM 312 CD LYS A 21 65.052 2.897 -10.171 1.00 1.58 C ATOM 313 CE LYS A 21 64.624 4.367 -10.183 1.00 2.42 C ATOM 314 NZ LYS A 21 63.657 4.477 -11.311 1.00 2.88 N ATOM 0 H LYS A 21 66.233 0.368 -9.006 1.00 0.60 H new ATOM 0 HA LYS A 21 63.713 -0.029 -7.798 1.00 0.65 H new ATOM 0 HB2 LYS A 21 64.746 0.507 -10.632 1.00 0.78 H new ATOM 0 HB3 LYS A 21 63.025 0.475 -10.304 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.087 2.546 -9.342 1.00 1.27 H new ATOM 0 HG3 LYS A 21 64.400 2.082 -8.279 1.00 1.27 H new ATOM 0 HD2 LYS A 21 66.062 2.805 -9.771 1.00 1.58 H new ATOM 0 HD3 LYS A 21 65.075 2.506 -11.188 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.162 4.651 -9.238 1.00 2.42 H new ATOM 0 HE3 LYS A 21 65.479 5.026 -10.331 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 63.318 5.458 -11.383 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 64.127 4.207 -12.199 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 62.850 3.844 -11.140 1.00 2.88 H new ATOM 328 N ALA A 22 64.505 -2.480 -9.794 1.00 0.59 N ATOM 329 CA ALA A 22 64.063 -3.848 -10.188 1.00 0.62 C ATOM 330 C ALA A 22 64.176 -4.801 -8.995 1.00 0.50 C ATOM 331 O ALA A 22 63.228 -5.466 -8.628 1.00 0.50 O ATOM 332 CB ALA A 22 65.022 -4.267 -11.304 1.00 0.76 C ATOM 0 H ALA A 22 65.432 -2.212 -10.123 1.00 0.59 H new ATOM 0 HA ALA A 22 63.024 -3.870 -10.515 1.00 0.62 H new ATOM 0 HB1 ALA A 22 64.763 -5.267 -11.650 1.00 0.76 H new ATOM 0 HB2 ALA A 22 64.944 -3.564 -12.134 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.044 -4.268 -10.924 1.00 0.76 H new ATOM 338 N ALA A 23 65.329 -4.869 -8.386 1.00 0.50 N ATOM 339 CA ALA A 23 65.497 -5.777 -7.215 1.00 0.53 C ATOM 340 C ALA A 23 64.340 -5.583 -6.233 1.00 0.46 C ATOM 341 O ALA A 23 63.687 -6.528 -5.834 1.00 0.52 O ATOM 342 CB ALA A 23 66.820 -5.358 -6.574 1.00 0.64 C ATOM 0 H ALA A 23 66.159 -4.337 -8.647 1.00 0.50 H new ATOM 0 HA ALA A 23 65.501 -6.828 -7.502 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.015 -5.982 -5.702 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.628 -5.479 -7.295 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.761 -4.314 -6.267 1.00 0.64 H new ATOM 348 N PHE A 24 64.076 -4.365 -5.845 1.00 0.47 N ATOM 349 CA PHE A 24 62.957 -4.113 -4.894 1.00 0.57 C ATOM 350 C PHE A 24 61.679 -4.782 -5.408 1.00 0.48 C ATOM 351 O PHE A 24 61.007 -5.493 -4.689 1.00 0.51 O ATOM 352 CB PHE A 24 62.798 -2.591 -4.863 1.00 0.77 C ATOM 353 CG PHE A 24 61.452 -2.232 -4.280 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.302 -2.301 -5.078 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.352 -1.831 -2.942 1.00 1.54 C ATOM 356 CE1 PHE A 24 59.055 -1.969 -4.537 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.103 -1.499 -2.403 1.00 1.62 C ATOM 358 CZ PHE A 24 58.954 -1.569 -3.200 1.00 1.25 C ATOM 0 H PHE A 24 64.586 -3.535 -6.145 1.00 0.47 H new ATOM 0 HA PHE A 24 63.152 -4.517 -3.901 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.594 -2.145 -4.267 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.889 -2.186 -5.871 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.378 -2.610 -6.110 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.238 -1.778 -2.326 1.00 1.54 H new ATOM 0 HE1 PHE A 24 58.169 -2.022 -5.152 1.00 1.72 H new ATOM 0 HE2 PHE A 24 60.026 -1.189 -1.371 1.00 1.62 H new ATOM 0 HZ PHE A 24 57.991 -1.315 -2.783 1.00 1.25 H new ATOM 368 N ASP A 25 61.343 -4.561 -6.649 1.00 0.45 N ATOM 369 CA ASP A 25 60.111 -5.187 -7.208 1.00 0.53 C ATOM 370 C ASP A 25 60.265 -6.710 -7.232 1.00 0.52 C ATOM 371 O ASP A 25 59.309 -7.438 -7.410 1.00 0.60 O ATOM 372 CB ASP A 25 59.997 -4.636 -8.630 1.00 0.66 C ATOM 373 CG ASP A 25 58.682 -3.868 -8.777 1.00 0.98 C ATOM 374 OD1 ASP A 25 58.530 -2.860 -8.108 1.00 1.52 O ATOM 375 OD2 ASP A 25 57.849 -4.303 -9.555 1.00 1.55 O ATOM 0 H ASP A 25 61.867 -3.975 -7.299 1.00 0.45 H new ATOM 0 HA ASP A 25 59.224 -4.964 -6.615 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.840 -3.979 -8.845 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.036 -5.452 -9.352 1.00 0.66 H new ATOM 380 N ILE A 26 61.463 -7.195 -7.052 1.00 0.50 N ATOM 381 CA ILE A 26 61.682 -8.669 -7.061 1.00 0.63 C ATOM 382 C ILE A 26 61.804 -9.193 -5.627 1.00 0.70 C ATOM 383 O ILE A 26 61.591 -10.359 -5.362 1.00 0.94 O ATOM 384 CB ILE A 26 62.994 -8.870 -7.819 1.00 0.68 C ATOM 385 CG1 ILE A 26 62.882 -8.241 -9.210 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.280 -10.366 -7.959 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.283 -7.949 -9.752 1.00 0.69 C ATOM 0 H ILE A 26 62.301 -6.633 -6.899 1.00 0.50 H new ATOM 0 HA ILE A 26 60.856 -9.207 -7.527 1.00 0.63 H new ATOM 0 HB ILE A 26 63.806 -8.395 -7.269 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.353 -8.915 -9.884 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.301 -7.320 -9.159 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.216 -10.509 -8.500 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.361 -10.815 -6.969 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.468 -10.842 -8.508 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.204 -7.501 -10.743 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.796 -7.259 -9.082 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.849 -8.878 -9.818 1.00 0.69 H new ATOM 399 N PHE A 27 62.144 -8.338 -4.701 1.00 0.61 N ATOM 400 CA PHE A 27 62.279 -8.787 -3.285 1.00 0.79 C ATOM 401 C PHE A 27 61.017 -8.431 -2.495 1.00 0.76 C ATOM 402 O PHE A 27 60.739 -9.005 -1.461 1.00 1.03 O ATOM 403 CB PHE A 27 63.486 -8.025 -2.739 1.00 0.91 C ATOM 404 CG PHE A 27 64.743 -8.526 -3.407 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.126 -9.864 -3.262 1.00 2.23 C ATOM 406 CD2 PHE A 27 65.523 -7.652 -4.171 1.00 2.07 C ATOM 407 CE1 PHE A 27 66.292 -10.329 -3.883 1.00 3.07 C ATOM 408 CE2 PHE A 27 66.688 -8.115 -4.792 1.00 2.83 C ATOM 409 CZ PHE A 27 67.073 -9.454 -4.648 1.00 3.21 C ATOM 0 H PHE A 27 62.334 -7.349 -4.863 1.00 0.61 H new ATOM 0 HA PHE A 27 62.410 -9.866 -3.206 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.367 -6.957 -2.919 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.557 -8.160 -1.660 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.523 -10.538 -2.672 1.00 2.23 H new ATOM 0 HD2 PHE A 27 65.226 -6.620 -4.282 1.00 2.07 H new ATOM 0 HE1 PHE A 27 66.589 -11.362 -3.772 1.00 3.07 H new ATOM 0 HE2 PHE A 27 67.290 -7.440 -5.382 1.00 2.83 H new ATOM 0 HZ PHE A 27 67.972 -9.812 -5.127 1.00 3.21 H new ATOM 419 N VAL A 28 60.252 -7.488 -2.973 1.00 0.63 N ATOM 420 CA VAL A 28 59.012 -7.098 -2.249 1.00 0.65 C ATOM 421 C VAL A 28 57.922 -8.151 -2.484 1.00 0.65 C ATOM 422 O VAL A 28 56.901 -8.160 -1.826 1.00 0.74 O ATOM 423 CB VAL A 28 58.631 -5.734 -2.844 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.109 -5.587 -2.941 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.185 -4.633 -1.941 1.00 1.47 C ATOM 0 H VAL A 28 60.433 -6.972 -3.834 1.00 0.63 H new ATOM 0 HA VAL A 28 59.144 -7.034 -1.169 1.00 0.65 H new ATOM 0 HB VAL A 28 59.051 -5.656 -3.847 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.864 -4.613 -3.365 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.708 -6.373 -3.581 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.671 -5.670 -1.946 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.922 -3.658 -2.352 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.759 -4.733 -0.943 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.270 -4.721 -1.883 1.00 1.47 H new ATOM 435 N LEU A 29 58.139 -9.042 -3.409 1.00 0.92 N ATOM 436 CA LEU A 29 57.123 -10.098 -3.677 1.00 0.99 C ATOM 437 C LEU A 29 56.727 -10.781 -2.368 1.00 0.99 C ATOM 438 O LEU A 29 55.614 -11.243 -2.207 1.00 1.10 O ATOM 439 CB LEU A 29 57.826 -11.089 -4.596 1.00 1.43 C ATOM 440 CG LEU A 29 57.438 -10.810 -6.048 1.00 1.74 C ATOM 441 CD1 LEU A 29 55.945 -11.081 -6.240 1.00 2.11 C ATOM 442 CD2 LEU A 29 57.737 -9.347 -6.382 1.00 2.45 C ATOM 0 H LEU A 29 58.975 -9.086 -3.991 1.00 0.92 H new ATOM 0 HA LEU A 29 56.212 -9.698 -4.123 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.906 -11.008 -4.476 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.551 -12.109 -4.326 1.00 1.43 H new ATOM 0 HG LEU A 29 58.012 -11.460 -6.708 1.00 1.74 H new ATOM 0 HD11 LEU A 29 55.669 -10.882 -7.276 1.00 2.11 H new ATOM 0 HD12 LEU A 29 55.731 -12.123 -6.001 1.00 2.11 H new ATOM 0 HD13 LEU A 29 55.370 -10.432 -5.580 1.00 2.11 H new ATOM 0 HD21 LEU A 29 57.461 -9.146 -7.417 1.00 2.45 H new ATOM 0 HD22 LEU A 29 57.163 -8.698 -5.721 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.801 -9.153 -6.246 1.00 2.45 H new ATOM 454 N GLY A 30 57.632 -10.847 -1.432 1.00 1.16 N ATOM 455 CA GLY A 30 57.313 -11.496 -0.131 1.00 1.58 C ATOM 456 C GLY A 30 56.966 -10.420 0.896 1.00 1.39 C ATOM 457 O GLY A 30 56.750 -10.701 2.059 1.00 1.89 O ATOM 0 H GLY A 30 58.580 -10.479 -1.512 1.00 1.16 H new ATOM 0 HA2 GLY A 30 56.477 -12.185 -0.250 1.00 1.58 H new ATOM 0 HA3 GLY A 30 58.164 -12.084 0.214 1.00 1.58 H new ATOM 461 N ALA A 31 56.910 -9.187 0.473 1.00 0.90 N ATOM 462 CA ALA A 31 56.577 -8.088 1.425 1.00 0.95 C ATOM 463 C ALA A 31 55.071 -8.067 1.701 1.00 1.15 C ATOM 464 O ALA A 31 54.378 -9.043 1.489 1.00 1.41 O ATOM 465 CB ALA A 31 57.009 -6.805 0.715 1.00 0.97 C ATOM 0 H ALA A 31 57.080 -8.893 -0.489 1.00 0.90 H new ATOM 0 HA ALA A 31 57.075 -8.209 2.387 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.797 -5.947 1.353 1.00 0.97 H new ATOM 0 HB2 ALA A 31 58.078 -6.847 0.507 1.00 0.97 H new ATOM 0 HB3 ALA A 31 56.461 -6.705 -0.222 1.00 0.97 H new ATOM 471 N GLU A 32 54.561 -6.964 2.173 1.00 1.35 N ATOM 472 CA GLU A 32 53.100 -6.882 2.462 1.00 1.90 C ATOM 473 C GLU A 32 52.586 -5.467 2.186 1.00 2.05 C ATOM 474 O GLU A 32 51.495 -5.279 1.685 1.00 2.79 O ATOM 475 CB GLU A 32 52.972 -7.221 3.948 1.00 2.37 C ATOM 476 CG GLU A 32 51.613 -7.877 4.206 1.00 2.44 C ATOM 477 CD GLU A 32 51.462 -8.162 5.702 1.00 2.83 C ATOM 478 OE1 GLU A 32 52.107 -9.081 6.178 1.00 3.29 O ATOM 479 OE2 GLU A 32 50.702 -7.457 6.346 1.00 3.24 O ATOM 0 H GLU A 32 55.091 -6.116 2.371 1.00 1.35 H new ATOM 0 HA GLU A 32 52.515 -7.558 1.838 1.00 1.90 H new ATOM 0 HB2 GLU A 32 53.775 -7.893 4.249 1.00 2.37 H new ATOM 0 HB3 GLU A 32 53.071 -6.317 4.548 1.00 2.37 H new ATOM 0 HG2 GLU A 32 50.810 -7.222 3.866 1.00 2.44 H new ATOM 0 HG3 GLU A 32 51.530 -8.804 3.638 1.00 2.44 H new ATOM 486 N ASP A 33 53.364 -4.470 2.506 1.00 1.80 N ATOM 487 CA ASP A 33 52.918 -3.067 2.261 1.00 2.11 C ATOM 488 C ASP A 33 53.632 -2.495 1.033 1.00 1.47 C ATOM 489 O ASP A 33 53.575 -1.311 0.765 1.00 1.80 O ATOM 490 CB ASP A 33 53.317 -2.298 3.521 1.00 3.12 C ATOM 491 CG ASP A 33 52.061 -1.886 4.294 1.00 3.68 C ATOM 492 OD1 ASP A 33 50.977 -2.223 3.848 1.00 4.12 O ATOM 493 OD2 ASP A 33 52.207 -1.240 5.318 1.00 4.09 O ATOM 0 H ASP A 33 54.289 -4.565 2.926 1.00 1.80 H new ATOM 0 HA ASP A 33 51.848 -3.001 2.067 1.00 2.11 H new ATOM 0 HB2 ASP A 33 53.956 -2.918 4.150 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.896 -1.415 3.251 1.00 3.12 H new ATOM 498 N GLY A 34 54.301 -3.327 0.283 1.00 1.10 N ATOM 499 CA GLY A 34 55.015 -2.833 -0.929 1.00 1.40 C ATOM 500 C GLY A 34 56.353 -2.212 -0.521 1.00 1.17 C ATOM 501 O GLY A 34 56.762 -1.195 -1.044 1.00 1.39 O ATOM 0 H GLY A 34 54.384 -4.329 0.457 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.182 -3.655 -1.625 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.403 -2.095 -1.448 1.00 1.40 H new ATOM 505 N SER A 35 57.041 -2.819 0.409 1.00 0.84 N ATOM 506 CA SER A 35 58.355 -2.264 0.848 1.00 0.70 C ATOM 507 C SER A 35 59.250 -3.393 1.362 1.00 0.67 C ATOM 508 O SER A 35 58.828 -4.527 1.479 1.00 0.80 O ATOM 509 CB SER A 35 58.023 -1.287 1.976 1.00 0.75 C ATOM 510 OG SER A 35 56.618 -1.068 2.017 1.00 1.04 O ATOM 0 H SER A 35 56.751 -3.674 0.883 1.00 0.84 H new ATOM 0 HA SER A 35 58.890 -1.773 0.035 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.367 -1.686 2.930 1.00 0.75 H new ATOM 0 HB3 SER A 35 58.544 -0.343 1.819 1.00 0.75 H new ATOM 0 HG SER A 35 56.405 -0.443 2.741 1.00 1.04 H new ATOM 516 N ILE A 36 60.483 -3.098 1.670 1.00 0.69 N ATOM 517 CA ILE A 36 61.396 -4.166 2.176 1.00 0.78 C ATOM 518 C ILE A 36 62.149 -3.683 3.416 1.00 0.71 C ATOM 519 O ILE A 36 63.099 -2.933 3.326 1.00 0.98 O ATOM 520 CB ILE A 36 62.382 -4.469 1.038 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.592 -3.228 0.160 1.00 1.09 C ATOM 522 CG2 ILE A 36 61.834 -5.609 0.182 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.459 -3.599 -1.046 1.00 1.22 C ATOM 0 H ILE A 36 60.898 -2.169 1.594 1.00 0.69 H new ATOM 0 HA ILE A 36 60.837 -5.057 2.463 1.00 0.78 H new ATOM 0 HB ILE A 36 63.340 -4.757 1.472 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.630 -2.839 -0.175 1.00 1.09 H new ATOM 0 HG13 ILE A 36 63.072 -2.438 0.737 1.00 1.09 H new ATOM 0 HG21 ILE A 36 62.533 -5.825 -0.626 1.00 1.36 H new ATOM 0 HG22 ILE A 36 61.706 -6.498 0.799 1.00 1.36 H new ATOM 0 HG23 ILE A 36 60.871 -5.318 -0.239 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.609 -2.719 -1.671 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.425 -3.968 -0.700 1.00 1.22 H new ATOM 0 HD13 ILE A 36 62.961 -4.375 -1.627 1.00 1.22 H new ATOM 535 N SER A 37 61.734 -4.114 4.575 1.00 0.87 N ATOM 536 CA SER A 37 62.430 -3.688 5.822 1.00 0.87 C ATOM 537 C SER A 37 63.707 -4.508 6.012 1.00 0.76 C ATOM 538 O SER A 37 64.011 -5.391 5.232 1.00 0.87 O ATOM 539 CB SER A 37 61.435 -3.975 6.946 1.00 1.12 C ATOM 540 OG SER A 37 61.417 -5.371 7.211 1.00 1.52 O ATOM 0 H SER A 37 60.943 -4.743 4.713 1.00 0.87 H new ATOM 0 HA SER A 37 62.724 -2.639 5.798 1.00 0.87 H new ATOM 0 HB2 SER A 37 61.716 -3.426 7.845 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.439 -3.634 6.662 1.00 1.12 H new ATOM 0 HG SER A 37 60.781 -5.559 7.933 1.00 1.52 H new ATOM 546 N THR A 38 64.458 -4.228 7.040 1.00 0.71 N ATOM 547 CA THR A 38 65.714 -4.997 7.274 1.00 0.65 C ATOM 548 C THR A 38 65.468 -6.492 7.049 1.00 0.70 C ATOM 549 O THR A 38 66.371 -7.237 6.725 1.00 1.37 O ATOM 550 CB THR A 38 66.092 -4.724 8.731 1.00 0.76 C ATOM 551 OG1 THR A 38 67.001 -5.720 9.179 1.00 1.55 O ATOM 552 CG2 THR A 38 64.836 -4.750 9.598 1.00 1.00 C ATOM 0 H THR A 38 64.258 -3.502 7.728 1.00 0.71 H new ATOM 0 HA THR A 38 66.510 -4.700 6.591 1.00 0.65 H new ATOM 0 HB THR A 38 66.562 -3.744 8.807 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.245 -5.545 10.112 1.00 1.55 H new ATOM 0 HG21 THR A 38 65.106 -4.555 10.636 1.00 1.00 H new ATOM 0 HG22 THR A 38 64.141 -3.984 9.254 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.363 -5.729 9.524 1.00 1.00 H new ATOM 560 N LYS A 39 64.252 -6.936 7.215 1.00 0.60 N ATOM 561 CA LYS A 39 63.949 -8.382 7.004 1.00 0.66 C ATOM 562 C LYS A 39 63.862 -8.692 5.507 1.00 0.64 C ATOM 563 O LYS A 39 64.224 -9.763 5.064 1.00 0.87 O ATOM 564 CB LYS A 39 62.594 -8.604 7.677 1.00 0.81 C ATOM 565 CG LYS A 39 62.251 -10.096 7.656 1.00 1.42 C ATOM 566 CD LYS A 39 63.327 -10.878 8.411 1.00 1.58 C ATOM 567 CE LYS A 39 62.895 -12.340 8.550 1.00 2.15 C ATOM 568 NZ LYS A 39 63.104 -12.668 9.988 1.00 2.80 N ATOM 0 H LYS A 39 63.455 -6.361 7.488 1.00 0.60 H new ATOM 0 HA LYS A 39 64.721 -9.031 7.418 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.623 -8.241 8.704 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.822 -8.035 7.159 1.00 0.81 H new ATOM 0 HG2 LYS A 39 61.276 -10.262 8.115 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.184 -10.450 6.627 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.276 -10.818 7.878 1.00 1.58 H new ATOM 0 HD3 LYS A 39 63.486 -10.440 9.396 1.00 1.58 H new ATOM 0 HE2 LYS A 39 61.852 -12.473 8.262 1.00 2.15 H new ATOM 0 HE3 LYS A 39 63.488 -12.990 7.907 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 62.830 -13.656 10.162 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 64.107 -12.539 10.231 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 62.522 -12.038 10.576 1.00 2.80 H new ATOM 582 N GLU A 40 63.383 -7.763 4.724 1.00 0.63 N ATOM 583 CA GLU A 40 63.274 -8.008 3.258 1.00 0.68 C ATOM 584 C GLU A 40 64.480 -7.405 2.532 1.00 0.66 C ATOM 585 O GLU A 40 64.951 -7.934 1.545 1.00 0.83 O ATOM 586 CB GLU A 40 61.987 -7.300 2.833 1.00 0.86 C ATOM 587 CG GLU A 40 60.786 -7.964 3.510 1.00 1.05 C ATOM 588 CD GLU A 40 60.649 -9.403 3.012 1.00 1.54 C ATOM 589 OE1 GLU A 40 60.004 -9.599 1.994 1.00 2.32 O ATOM 590 OE2 GLU A 40 61.190 -10.287 3.656 1.00 1.92 O ATOM 0 H GLU A 40 63.063 -6.846 5.036 1.00 0.63 H new ATOM 0 HA GLU A 40 63.254 -9.071 3.017 1.00 0.68 H new ATOM 0 HB2 GLU A 40 62.033 -6.246 3.106 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.877 -7.345 1.750 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.914 -7.953 4.592 1.00 1.05 H new ATOM 0 HG3 GLU A 40 59.877 -7.404 3.291 1.00 1.05 H new ATOM 597 N LEU A 41 64.981 -6.301 3.015 1.00 0.73 N ATOM 598 CA LEU A 41 66.156 -5.663 2.353 1.00 0.80 C ATOM 599 C LEU A 41 67.427 -6.466 2.644 1.00 0.72 C ATOM 600 O LEU A 41 68.461 -6.246 2.044 1.00 0.81 O ATOM 601 CB LEU A 41 66.249 -4.268 2.975 1.00 1.10 C ATOM 602 CG LEU A 41 66.730 -3.269 1.920 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.156 -3.622 1.494 1.00 1.94 C ATOM 604 CD2 LEU A 41 65.805 -3.328 0.702 1.00 1.83 C ATOM 0 H LEU A 41 64.629 -5.813 3.838 1.00 0.73 H new ATOM 0 HA LEU A 41 66.048 -5.621 1.269 1.00 0.80 H new ATOM 0 HB2 LEU A 41 65.276 -3.965 3.361 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.937 -4.280 3.820 1.00 1.10 H new ATOM 0 HG LEU A 41 66.715 -2.263 2.340 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.498 -2.910 0.743 1.00 1.94 H new ATOM 0 HD12 LEU A 41 68.816 -3.580 2.361 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.172 -4.628 1.075 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.147 -2.617 -0.050 1.00 1.83 H new ATOM 0 HD22 LEU A 41 65.819 -4.334 0.283 1.00 1.83 H new ATOM 0 HD23 LEU A 41 64.789 -3.075 1.004 1.00 1.83 H new ATOM 616 N GLY A 42 67.358 -7.393 3.559 1.00 0.72 N ATOM 617 CA GLY A 42 68.562 -8.209 3.885 1.00 0.91 C ATOM 618 C GLY A 42 68.913 -9.105 2.697 1.00 0.78 C ATOM 619 O GLY A 42 70.066 -9.383 2.436 1.00 0.84 O ATOM 0 H GLY A 42 66.521 -7.621 4.095 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.402 -7.557 4.122 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.372 -8.818 4.769 1.00 0.91 H new ATOM 623 N LYS A 43 67.926 -9.561 1.975 1.00 0.77 N ATOM 624 CA LYS A 43 68.203 -10.440 0.804 1.00 0.86 C ATOM 625 C LYS A 43 68.606 -9.597 -0.410 1.00 0.79 C ATOM 626 O LYS A 43 69.164 -10.096 -1.367 1.00 0.99 O ATOM 627 CB LYS A 43 66.887 -11.168 0.535 1.00 0.95 C ATOM 628 CG LYS A 43 66.722 -12.314 1.535 1.00 1.34 C ATOM 629 CD LYS A 43 65.246 -12.710 1.616 1.00 2.13 C ATOM 630 CE LYS A 43 64.955 -13.808 0.592 1.00 2.65 C ATOM 631 NZ LYS A 43 64.451 -14.957 1.393 1.00 2.98 N ATOM 0 H LYS A 43 66.940 -9.363 2.145 1.00 0.77 H new ATOM 0 HA LYS A 43 69.022 -11.133 0.995 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.051 -10.474 0.621 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.876 -11.556 -0.484 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.323 -13.170 1.227 1.00 1.34 H new ATOM 0 HG3 LYS A 43 67.082 -12.009 2.517 1.00 1.34 H new ATOM 0 HD2 LYS A 43 65.008 -13.062 2.620 1.00 2.13 H new ATOM 0 HD3 LYS A 43 64.615 -11.842 1.424 1.00 2.13 H new ATOM 0 HE2 LYS A 43 64.215 -13.481 -0.138 1.00 2.65 H new ATOM 0 HE3 LYS A 43 65.853 -14.078 0.036 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 64.229 -15.751 0.759 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 65.179 -15.251 2.075 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 63.592 -14.673 1.905 1.00 2.98 H new ATOM 645 N VAL A 44 68.326 -8.323 -0.378 1.00 0.72 N ATOM 646 CA VAL A 44 68.690 -7.451 -1.531 1.00 0.93 C ATOM 647 C VAL A 44 70.135 -6.963 -1.394 1.00 0.89 C ATOM 648 O VAL A 44 70.798 -6.673 -2.369 1.00 1.06 O ATOM 649 CB VAL A 44 67.716 -6.275 -1.460 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.914 -5.371 -2.677 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.280 -6.805 -1.447 1.00 1.80 C ATOM 0 H VAL A 44 67.861 -7.848 0.396 1.00 0.72 H new ATOM 0 HA VAL A 44 68.625 -7.978 -2.483 1.00 0.93 H new ATOM 0 HB VAL A 44 67.903 -5.703 -0.551 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.219 -4.533 -2.625 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.937 -4.994 -2.688 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.728 -5.941 -3.587 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.584 -5.968 -1.396 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.095 -7.377 -2.356 1.00 1.80 H new ATOM 0 HG23 VAL A 44 66.138 -7.448 -0.579 1.00 1.80 H new ATOM 661 N MET A 45 70.628 -6.870 -0.190 1.00 0.86 N ATOM 662 CA MET A 45 72.030 -6.399 0.005 1.00 1.06 C ATOM 663 C MET A 45 73.019 -7.502 -0.379 1.00 1.08 C ATOM 664 O MET A 45 73.945 -7.284 -1.134 1.00 1.14 O ATOM 665 CB MET A 45 72.134 -6.084 1.497 1.00 1.34 C ATOM 666 CG MET A 45 71.453 -4.745 1.788 1.00 1.88 C ATOM 667 SD MET A 45 71.231 -4.557 3.575 1.00 2.45 S ATOM 668 CE MET A 45 71.971 -2.912 3.724 1.00 3.35 C ATOM 0 H MET A 45 70.123 -7.099 0.666 1.00 0.86 H new ATOM 0 HA MET A 45 72.265 -5.534 -0.615 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.664 -6.876 2.080 1.00 1.34 H new ATOM 0 HB3 MET A 45 73.181 -6.044 1.798 1.00 1.34 H new ATOM 0 HG2 MET A 45 72.056 -3.925 1.397 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.488 -4.699 1.284 1.00 1.88 H new ATOM 0 HE1 MET A 45 71.829 -2.540 4.739 1.00 3.35 H new ATOM 0 HE2 MET A 45 73.037 -2.971 3.505 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.493 -2.233 3.018 1.00 3.35 H new ATOM 678 N ARG A 46 72.831 -8.685 0.139 1.00 1.20 N ATOM 679 CA ARG A 46 73.761 -9.802 -0.191 1.00 1.46 C ATOM 680 C ARG A 46 73.720 -10.107 -1.692 1.00 1.52 C ATOM 681 O ARG A 46 74.682 -10.582 -2.263 1.00 1.73 O ATOM 682 CB ARG A 46 73.244 -10.996 0.612 1.00 1.74 C ATOM 683 CG ARG A 46 74.414 -11.682 1.318 1.00 1.93 C ATOM 684 CD ARG A 46 74.282 -13.199 1.165 1.00 2.48 C ATOM 685 NE ARG A 46 75.403 -13.766 1.963 1.00 2.64 N ATOM 686 CZ ARG A 46 75.928 -14.913 1.628 1.00 3.08 C ATOM 687 NH1 ARG A 46 76.204 -15.163 0.379 1.00 3.41 N ATOM 688 NH2 ARG A 46 76.174 -15.809 2.544 1.00 3.64 N ATOM 0 H ARG A 46 72.073 -8.926 0.777 1.00 1.20 H new ATOM 0 HA ARG A 46 74.796 -9.561 0.053 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.508 -10.664 1.344 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.740 -11.701 -0.049 1.00 1.74 H new ATOM 0 HG2 ARG A 46 75.359 -11.343 0.892 1.00 1.93 H new ATOM 0 HG3 ARG A 46 74.425 -11.412 2.374 1.00 1.93 H new ATOM 0 HD2 ARG A 46 73.318 -13.550 1.533 1.00 2.48 H new ATOM 0 HD3 ARG A 46 74.352 -13.498 0.119 1.00 2.48 H new ATOM 0 HE ARG A 46 75.761 -13.258 2.772 1.00 2.64 H new ATOM 0 HH11 ARG A 46 76.010 -14.462 -0.336 1.00 3.41 H new ATOM 0 HH12 ARG A 46 76.614 -16.059 0.117 1.00 3.41 H new ATOM 0 HH21 ARG A 46 75.956 -15.613 3.521 1.00 3.64 H new ATOM 0 HH22 ARG A 46 76.584 -16.706 2.283 1.00 3.64 H new ATOM 702 N MET A 47 72.616 -9.842 -2.334 1.00 1.46 N ATOM 703 CA MET A 47 72.524 -10.124 -3.796 1.00 1.73 C ATOM 704 C MET A 47 73.200 -9.002 -4.597 1.00 1.75 C ATOM 705 O MET A 47 73.784 -9.234 -5.635 1.00 2.01 O ATOM 706 CB MET A 47 71.016 -10.209 -4.094 1.00 1.70 C ATOM 707 CG MET A 47 70.463 -8.838 -4.508 1.00 1.96 C ATOM 708 SD MET A 47 70.782 -8.568 -6.270 1.00 1.94 S ATOM 709 CE MET A 47 69.178 -7.843 -6.685 1.00 1.52 C ATOM 0 H MET A 47 71.777 -9.444 -1.913 1.00 1.46 H new ATOM 0 HA MET A 47 73.033 -11.046 -4.078 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.838 -10.933 -4.889 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.486 -10.568 -3.212 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.392 -8.790 -4.310 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.932 -8.051 -3.917 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.258 -7.296 -7.625 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.436 -8.635 -6.788 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.872 -7.160 -5.893 1.00 1.52 H new ATOM 719 N LEU A 48 73.119 -7.789 -4.120 1.00 1.60 N ATOM 720 CA LEU A 48 73.753 -6.656 -4.853 1.00 1.69 C ATOM 721 C LEU A 48 75.267 -6.660 -4.627 1.00 1.68 C ATOM 722 O LEU A 48 76.025 -7.150 -5.442 1.00 1.99 O ATOM 723 CB LEU A 48 73.121 -5.397 -4.255 1.00 1.73 C ATOM 724 CG LEU A 48 71.678 -5.269 -4.748 1.00 1.75 C ATOM 725 CD1 LEU A 48 70.936 -4.237 -3.898 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.679 -4.816 -6.209 1.00 2.15 C ATOM 0 H LEU A 48 72.642 -7.534 -3.255 1.00 1.60 H new ATOM 0 HA LEU A 48 73.595 -6.719 -5.930 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.142 -5.448 -3.166 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.695 -4.516 -4.544 1.00 1.73 H new ATOM 0 HG LEU A 48 71.179 -6.235 -4.664 1.00 1.75 H new ATOM 0 HD11 LEU A 48 69.908 -4.147 -4.250 1.00 1.86 H new ATOM 0 HD12 LEU A 48 70.936 -4.556 -2.856 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.434 -3.271 -3.981 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.652 -4.724 -6.562 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.178 -3.850 -6.290 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.208 -5.550 -6.817 1.00 2.15 H new ATOM 738 N GLY A 49 75.716 -6.116 -3.529 1.00 1.63 N ATOM 739 CA GLY A 49 77.181 -6.090 -3.255 1.00 1.87 C ATOM 740 C GLY A 49 77.430 -5.525 -1.856 1.00 1.54 C ATOM 741 O GLY A 49 78.171 -4.578 -1.682 1.00 1.53 O ATOM 0 H GLY A 49 75.132 -5.689 -2.810 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.594 -7.096 -3.331 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.690 -5.480 -4.001 1.00 1.87 H new ATOM 745 N GLN A 50 76.819 -6.099 -0.856 1.00 1.37 N ATOM 746 CA GLN A 50 77.023 -5.594 0.532 1.00 1.17 C ATOM 747 C GLN A 50 77.097 -6.767 1.514 1.00 1.24 C ATOM 748 O GLN A 50 76.475 -7.791 1.320 1.00 1.75 O ATOM 749 CB GLN A 50 75.798 -4.726 0.821 1.00 1.29 C ATOM 750 CG GLN A 50 75.819 -3.494 -0.086 1.00 1.28 C ATOM 751 CD GLN A 50 75.169 -2.314 0.641 1.00 1.41 C ATOM 752 OE1 GLN A 50 75.820 -1.613 1.388 1.00 1.89 O ATOM 753 NE2 GLN A 50 73.902 -2.065 0.453 1.00 1.85 N ATOM 0 H GLN A 50 76.187 -6.896 -0.940 1.00 1.37 H new ATOM 0 HA GLN A 50 77.952 -5.034 0.637 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.886 -5.299 0.653 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.795 -4.420 1.867 1.00 1.29 H new ATOM 0 HG2 GLN A 50 76.845 -3.247 -0.358 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.285 -3.703 -1.013 1.00 1.28 H new ATOM 0 HE21 GLN A 50 73.354 -2.654 -0.175 1.00 1.85 H new ATOM 0 HE22 GLN A 50 73.459 -1.282 0.934 1.00 1.85 H new ATOM 762 N ASN A 51 77.855 -6.624 2.567 1.00 1.18 N ATOM 763 CA ASN A 51 77.970 -7.733 3.558 1.00 1.29 C ATOM 764 C ASN A 51 77.673 -7.217 4.969 1.00 1.07 C ATOM 765 O ASN A 51 78.435 -7.447 5.887 1.00 1.45 O ATOM 766 CB ASN A 51 79.419 -8.209 3.453 1.00 1.96 C ATOM 767 CG ASN A 51 79.452 -9.735 3.348 1.00 2.61 C ATOM 768 OD1 ASN A 51 78.846 -10.424 4.144 1.00 3.07 O ATOM 769 ND2 ASN A 51 80.139 -10.295 2.391 1.00 3.29 N ATOM 0 H ASN A 51 78.399 -5.789 2.784 1.00 1.18 H new ATOM 0 HA ASN A 51 77.262 -8.538 3.361 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.896 -7.764 2.580 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.984 -7.882 4.326 1.00 1.96 H new ATOM 0 HD21 ASN A 51 80.167 -11.311 2.311 1.00 3.29 H new ATOM 0 HD22 ASN A 51 80.648 -9.716 1.723 1.00 3.29 H new ATOM 776 N PRO A 52 76.569 -6.533 5.092 1.00 1.47 N ATOM 777 CA PRO A 52 76.159 -5.974 6.403 1.00 2.11 C ATOM 778 C PRO A 52 75.684 -7.091 7.337 1.00 1.79 C ATOM 779 O PRO A 52 75.364 -8.181 6.904 1.00 2.07 O ATOM 780 CB PRO A 52 75.010 -5.035 6.049 1.00 2.97 C ATOM 781 CG PRO A 52 74.463 -5.564 4.762 1.00 2.97 C ATOM 782 CD PRO A 52 75.608 -6.217 4.032 1.00 2.03 C ATOM 0 HA PRO A 52 76.971 -5.468 6.925 1.00 2.11 H new ATOM 0 HB2 PRO A 52 74.249 -5.030 6.829 1.00 2.97 H new ATOM 0 HB3 PRO A 52 75.359 -4.008 5.938 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.665 -6.282 4.949 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.034 -4.759 4.165 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.285 -7.115 3.505 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.040 -5.548 3.288 1.00 2.03 H new ATOM 790 N THR A 53 75.633 -6.829 8.614 1.00 1.42 N ATOM 791 CA THR A 53 75.176 -7.876 9.573 1.00 1.16 C ATOM 792 C THR A 53 73.732 -7.601 10.006 1.00 0.98 C ATOM 793 O THR A 53 73.186 -6.556 9.713 1.00 0.92 O ATOM 794 CB THR A 53 76.125 -7.761 10.769 1.00 1.19 C ATOM 795 OG1 THR A 53 76.766 -6.493 10.740 1.00 1.40 O ATOM 796 CG2 THR A 53 77.177 -8.869 10.697 1.00 1.36 C ATOM 0 H THR A 53 75.888 -5.936 9.035 1.00 1.42 H new ATOM 0 HA THR A 53 75.193 -8.874 9.134 1.00 1.16 H new ATOM 0 HB THR A 53 75.559 -7.862 11.695 1.00 1.19 H new ATOM 0 HG1 THR A 53 76.979 -6.213 11.655 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.852 -8.786 11.549 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.684 -9.841 10.718 1.00 1.36 H new ATOM 0 HG23 THR A 53 77.746 -8.771 9.773 1.00 1.36 H new ATOM 804 N PRO A 54 73.164 -8.555 10.692 1.00 0.99 N ATOM 805 CA PRO A 54 71.768 -8.421 11.174 1.00 1.04 C ATOM 806 C PRO A 54 71.698 -7.427 12.336 1.00 0.93 C ATOM 807 O PRO A 54 70.751 -6.677 12.469 1.00 0.94 O ATOM 808 CB PRO A 54 71.414 -9.830 11.640 1.00 1.19 C ATOM 809 CG PRO A 54 72.725 -10.471 11.969 1.00 1.18 C ATOM 810 CD PRO A 54 73.763 -9.837 11.079 1.00 1.10 C ATOM 0 HA PRO A 54 71.085 -8.046 10.412 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.758 -9.805 12.510 1.00 1.19 H new ATOM 0 HB3 PRO A 54 70.889 -10.383 10.861 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.974 -10.321 13.019 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.680 -11.547 11.803 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.707 -9.694 11.606 1.00 1.10 H new ATOM 0 HD3 PRO A 54 73.975 -10.458 10.208 1.00 1.10 H new ATOM 818 N GLU A 55 72.695 -7.413 13.179 1.00 0.98 N ATOM 819 CA GLU A 55 72.686 -6.466 14.330 1.00 1.08 C ATOM 820 C GLU A 55 72.849 -5.029 13.833 1.00 0.97 C ATOM 821 O GLU A 55 72.172 -4.125 14.282 1.00 1.01 O ATOM 822 CB GLU A 55 73.883 -6.877 15.190 1.00 1.28 C ATOM 823 CG GLU A 55 73.386 -7.572 16.459 1.00 2.15 C ATOM 824 CD GLU A 55 74.421 -8.602 16.914 1.00 2.57 C ATOM 825 OE1 GLU A 55 75.562 -8.219 17.114 1.00 2.81 O ATOM 826 OE2 GLU A 55 74.055 -9.758 17.053 1.00 3.14 O ATOM 0 H GLU A 55 73.515 -8.017 13.120 1.00 0.98 H new ATOM 0 HA GLU A 55 71.751 -6.503 14.889 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.535 -7.546 14.628 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.475 -6.000 15.451 1.00 1.28 H new ATOM 0 HG2 GLU A 55 73.217 -6.838 17.247 1.00 2.15 H new ATOM 0 HG3 GLU A 55 72.430 -8.060 16.269 1.00 2.15 H new ATOM 833 N GLU A 56 73.745 -4.809 12.909 1.00 0.92 N ATOM 834 CA GLU A 56 73.950 -3.430 12.384 1.00 0.94 C ATOM 835 C GLU A 56 72.827 -3.063 11.410 1.00 0.84 C ATOM 836 O GLU A 56 72.397 -1.929 11.343 1.00 0.94 O ATOM 837 CB GLU A 56 75.296 -3.479 11.658 1.00 1.06 C ATOM 838 CG GLU A 56 76.270 -2.505 12.326 1.00 1.60 C ATOM 839 CD GLU A 56 77.571 -3.234 12.670 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.569 -4.454 12.644 1.00 2.08 O ATOM 841 OE2 GLU A 56 78.547 -2.561 12.953 1.00 2.50 O ATOM 0 H GLU A 56 74.343 -5.524 12.496 1.00 0.92 H new ATOM 0 HA GLU A 56 73.941 -2.681 13.175 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.700 -4.491 11.686 1.00 1.06 H new ATOM 0 HB3 GLU A 56 75.165 -3.217 10.608 1.00 1.06 H new ATOM 0 HG2 GLU A 56 76.476 -1.667 11.660 1.00 1.60 H new ATOM 0 HG3 GLU A 56 75.823 -2.091 13.230 1.00 1.60 H new ATOM 848 N LEU A 57 72.349 -4.014 10.654 1.00 0.73 N ATOM 849 CA LEU A 57 71.253 -3.717 9.687 1.00 0.78 C ATOM 850 C LEU A 57 70.176 -2.861 10.359 1.00 0.80 C ATOM 851 O LEU A 57 69.947 -1.728 9.983 1.00 0.89 O ATOM 852 CB LEU A 57 70.689 -5.083 9.296 1.00 0.85 C ATOM 853 CG LEU A 57 70.892 -5.310 7.797 1.00 0.84 C ATOM 854 CD1 LEU A 57 71.189 -6.788 7.539 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.621 -4.908 7.045 1.00 1.10 C ATOM 0 H LEU A 57 72.669 -4.982 10.664 1.00 0.73 H new ATOM 0 HA LEU A 57 71.605 -3.160 8.819 1.00 0.78 H new ATOM 0 HB2 LEU A 57 71.186 -5.869 9.864 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.628 -5.134 9.542 1.00 0.85 H new ATOM 0 HG LEU A 57 71.729 -4.705 7.449 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.334 -6.949 6.471 1.00 1.30 H new ATOM 0 HD12 LEU A 57 72.093 -7.076 8.075 1.00 1.30 H new ATOM 0 HD13 LEU A 57 70.352 -7.393 7.887 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.764 -5.069 5.977 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.785 -5.513 7.395 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.408 -3.855 7.228 1.00 1.10 H new ATOM 867 N GLN A 58 69.512 -3.392 11.349 1.00 0.81 N ATOM 868 CA GLN A 58 68.451 -2.607 12.043 1.00 0.95 C ATOM 869 C GLN A 58 68.964 -1.202 12.372 1.00 0.99 C ATOM 870 O GLN A 58 68.242 -0.229 12.285 1.00 1.13 O ATOM 871 CB GLN A 58 68.156 -3.385 13.326 1.00 1.09 C ATOM 872 CG GLN A 58 67.366 -2.500 14.292 1.00 1.25 C ATOM 873 CD GLN A 58 66.000 -2.175 13.687 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.142 -3.030 13.600 1.00 1.97 O ATOM 875 NE2 GLN A 58 65.760 -0.964 13.263 1.00 1.74 N ATOM 0 H GLN A 58 69.658 -4.336 11.708 1.00 0.81 H new ATOM 0 HA GLN A 58 67.559 -2.484 11.428 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.588 -4.286 13.095 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.088 -3.707 13.791 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.240 -3.009 15.248 1.00 1.25 H new ATOM 0 HG3 GLN A 58 67.916 -1.580 14.491 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.481 -0.246 13.336 1.00 1.74 H new ATOM 0 HE22 GLN A 58 64.852 -0.736 12.859 1.00 1.74 H new ATOM 884 N GLU A 59 70.208 -1.090 12.751 1.00 0.97 N ATOM 885 CA GLU A 59 70.769 0.251 13.085 1.00 1.14 C ATOM 886 C GLU A 59 70.887 1.104 11.820 1.00 1.11 C ATOM 887 O GLU A 59 70.582 2.281 11.823 1.00 1.18 O ATOM 888 CB GLU A 59 72.152 -0.035 13.669 1.00 1.23 C ATOM 889 CG GLU A 59 72.857 1.286 13.985 1.00 1.60 C ATOM 890 CD GLU A 59 74.246 1.290 13.343 1.00 2.19 C ATOM 891 OE1 GLU A 59 75.105 0.576 13.831 1.00 2.77 O ATOM 892 OE2 GLU A 59 74.425 2.008 12.372 1.00 2.75 O ATOM 0 H GLU A 59 70.860 -1.869 12.844 1.00 0.97 H new ATOM 0 HA GLU A 59 70.137 0.802 13.782 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.059 -0.635 14.574 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.744 -0.615 12.961 1.00 1.23 H new ATOM 0 HG2 GLU A 59 72.269 2.123 13.609 1.00 1.60 H new ATOM 0 HG3 GLU A 59 72.943 1.415 15.064 1.00 1.60 H new ATOM 899 N MET A 60 71.328 0.521 10.740 1.00 1.11 N ATOM 900 CA MET A 60 71.467 1.299 9.475 1.00 1.18 C ATOM 901 C MET A 60 70.148 2.000 9.135 1.00 1.13 C ATOM 902 O MET A 60 70.112 3.192 8.901 1.00 1.25 O ATOM 903 CB MET A 60 71.817 0.262 8.407 1.00 1.22 C ATOM 904 CG MET A 60 73.329 0.266 8.170 1.00 1.62 C ATOM 905 SD MET A 60 73.662 0.372 6.395 1.00 1.82 S ATOM 906 CE MET A 60 75.468 0.360 6.499 1.00 2.02 C ATOM 0 H MET A 60 71.598 -0.461 10.678 1.00 1.11 H new ATOM 0 HA MET A 60 72.227 2.077 9.551 1.00 1.18 H new ATOM 0 HB2 MET A 60 71.490 -0.728 8.725 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.292 0.488 7.479 1.00 1.22 H new ATOM 0 HG2 MET A 60 73.787 1.109 8.688 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.775 -0.640 8.581 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.891 0.419 5.496 1.00 2.02 H new ATOM 0 HE2 MET A 60 75.804 1.215 7.086 1.00 2.02 H new ATOM 0 HE3 MET A 60 75.799 -0.561 6.978 1.00 2.02 H new ATOM 916 N ILE A 61 69.065 1.273 9.107 1.00 1.04 N ATOM 917 CA ILE A 61 67.753 1.906 8.783 1.00 1.11 C ATOM 918 C ILE A 61 67.350 2.877 9.896 1.00 1.23 C ATOM 919 O ILE A 61 67.154 4.054 9.666 1.00 1.40 O ATOM 920 CB ILE A 61 66.761 0.743 8.687 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.879 0.095 7.307 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.331 1.257 8.882 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.343 -1.353 7.461 1.00 1.14 C ATOM 0 H ILE A 61 69.030 0.271 9.294 1.00 1.04 H new ATOM 0 HA ILE A 61 67.786 2.482 7.858 1.00 1.11 H new ATOM 0 HB ILE A 61 66.988 0.012 9.463 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.917 0.127 6.795 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.586 0.651 6.692 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.632 0.423 8.812 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.243 1.723 9.863 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.099 1.990 8.110 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.427 -1.815 6.477 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.314 -1.373 7.955 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.619 -1.905 8.060 1.00 1.14 H new ATOM 935 N ASP A 62 67.222 2.393 11.101 1.00 1.23 N ATOM 936 CA ASP A 62 66.829 3.288 12.227 1.00 1.43 C ATOM 937 C ASP A 62 67.584 4.619 12.138 1.00 1.48 C ATOM 938 O ASP A 62 67.121 5.637 12.610 1.00 1.67 O ATOM 939 CB ASP A 62 67.228 2.530 13.493 1.00 1.51 C ATOM 940 CG ASP A 62 66.965 3.408 14.718 1.00 1.54 C ATOM 941 OD1 ASP A 62 67.478 4.515 14.749 1.00 1.79 O ATOM 942 OD2 ASP A 62 66.257 2.959 15.604 1.00 2.13 O ATOM 0 H ASP A 62 67.372 1.417 11.355 1.00 1.23 H new ATOM 0 HA ASP A 62 65.765 3.526 12.211 1.00 1.43 H new ATOM 0 HB2 ASP A 62 66.660 1.603 13.568 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.282 2.256 13.448 1.00 1.51 H new ATOM 947 N GLU A 63 68.742 4.616 11.538 1.00 1.41 N ATOM 948 CA GLU A 63 69.524 5.881 11.422 1.00 1.52 C ATOM 949 C GLU A 63 69.074 6.676 10.192 1.00 1.47 C ATOM 950 O GLU A 63 68.828 7.863 10.265 1.00 1.80 O ATOM 951 CB GLU A 63 70.978 5.437 11.272 1.00 1.55 C ATOM 952 CG GLU A 63 71.726 5.679 12.585 1.00 2.11 C ATOM 953 CD GLU A 63 72.235 7.121 12.623 1.00 2.26 C ATOM 954 OE1 GLU A 63 71.921 7.864 11.709 1.00 2.93 O ATOM 955 OE2 GLU A 63 72.932 7.457 13.567 1.00 2.32 O ATOM 0 H GLU A 63 69.181 3.794 11.123 1.00 1.41 H new ATOM 0 HA GLU A 63 69.384 6.531 12.286 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.021 4.381 11.007 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.456 5.989 10.462 1.00 1.55 H new ATOM 0 HG2 GLU A 63 71.066 5.493 13.432 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.562 4.985 12.673 1.00 2.11 H new ATOM 962 N VAL A 64 68.966 6.032 9.062 1.00 1.33 N ATOM 963 CA VAL A 64 68.533 6.755 7.830 1.00 1.29 C ATOM 964 C VAL A 64 67.007 6.871 7.793 1.00 1.21 C ATOM 965 O VAL A 64 66.456 7.753 7.166 1.00 1.50 O ATOM 966 CB VAL A 64 69.033 5.897 6.669 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.526 5.616 6.844 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.264 4.573 6.648 1.00 1.31 C ATOM 0 H VAL A 64 69.158 5.038 8.938 1.00 1.33 H new ATOM 0 HA VAL A 64 68.930 7.769 7.787 1.00 1.29 H new ATOM 0 HB VAL A 64 68.873 6.428 5.731 1.00 1.40 H new ATOM 0 HG11 VAL A 64 70.881 5.004 6.015 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.074 6.558 6.860 1.00 1.69 H new ATOM 0 HG13 VAL A 64 70.689 5.086 7.782 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.619 3.959 5.820 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.425 4.044 7.587 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.200 4.772 6.521 1.00 1.31 H new ATOM 978 N ASP A 65 66.320 5.983 8.460 1.00 1.27 N ATOM 979 CA ASP A 65 64.830 6.038 8.463 1.00 1.38 C ATOM 980 C ASP A 65 64.349 7.305 9.176 1.00 2.07 C ATOM 981 O ASP A 65 64.771 7.609 10.274 1.00 2.61 O ATOM 982 CB ASP A 65 64.392 4.790 9.231 1.00 1.38 C ATOM 983 CG ASP A 65 63.015 4.342 8.736 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.480 5.000 7.858 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.519 3.350 9.244 1.00 2.59 O ATOM 0 H ASP A 65 66.727 5.221 9.003 1.00 1.27 H new ATOM 0 HA ASP A 65 64.414 6.065 7.456 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.119 3.990 9.090 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.355 5.002 10.299 1.00 1.38 H new ATOM 990 N GLU A 66 63.468 8.045 8.560 1.00 2.65 N ATOM 991 CA GLU A 66 62.960 9.290 9.204 1.00 3.74 C ATOM 992 C GLU A 66 62.001 8.941 10.346 1.00 4.00 C ATOM 993 O GLU A 66 61.578 9.797 11.097 1.00 4.93 O ATOM 994 CB GLU A 66 62.221 10.036 8.093 1.00 4.58 C ATOM 995 CG GLU A 66 61.020 9.209 7.631 1.00 5.25 C ATOM 996 CD GLU A 66 60.360 9.891 6.431 1.00 6.17 C ATOM 997 OE1 GLU A 66 61.070 10.529 5.672 1.00 6.61 O ATOM 998 OE2 GLU A 66 59.154 9.762 6.292 1.00 6.67 O ATOM 0 H GLU A 66 63.078 7.842 7.640 1.00 2.65 H new ATOM 0 HA GLU A 66 63.762 9.890 9.635 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.888 11.009 8.454 1.00 4.58 H new ATOM 0 HB3 GLU A 66 62.893 10.219 7.255 1.00 4.58 H new ATOM 0 HG2 GLU A 66 61.341 8.203 7.360 1.00 5.25 H new ATOM 0 HG3 GLU A 66 60.302 9.106 8.444 1.00 5.25 H new ATOM 1005 N ASP A 67 61.656 7.690 10.481 1.00 3.32 N ATOM 1006 CA ASP A 67 60.726 7.286 11.575 1.00 3.69 C ATOM 1007 C ASP A 67 61.357 6.183 12.427 1.00 3.25 C ATOM 1008 O ASP A 67 60.848 5.823 13.471 1.00 3.49 O ATOM 1009 CB ASP A 67 59.478 6.765 10.859 1.00 3.68 C ATOM 1010 CG ASP A 67 59.799 5.434 10.177 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.656 5.427 9.307 1.00 2.33 O ATOM 1012 OD2 ASP A 67 59.183 4.444 10.534 1.00 3.83 O ATOM 0 H ASP A 67 61.977 6.930 9.882 1.00 3.32 H new ATOM 0 HA ASP A 67 60.496 8.112 12.248 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.665 6.633 11.573 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.139 7.492 10.121 1.00 3.68 H new ATOM 1017 N GLY A 68 62.462 5.643 11.992 1.00 2.98 N ATOM 1018 CA GLY A 68 63.124 4.563 12.779 1.00 3.17 C ATOM 1019 C GLY A 68 62.166 3.382 12.931 1.00 2.42 C ATOM 1020 O GLY A 68 61.651 3.121 14.000 1.00 3.05 O ATOM 0 H GLY A 68 62.935 5.902 11.126 1.00 2.98 H new ATOM 0 HA2 GLY A 68 64.038 4.242 12.279 1.00 3.17 H new ATOM 0 HA3 GLY A 68 63.413 4.939 13.760 1.00 3.17 H new ATOM 1024 N SER A 69 61.919 2.665 11.869 1.00 1.46 N ATOM 1025 CA SER A 69 60.990 1.502 11.955 1.00 1.52 C ATOM 1026 C SER A 69 61.665 0.239 11.414 1.00 1.64 C ATOM 1027 O SER A 69 61.341 -0.865 11.805 1.00 2.49 O ATOM 1028 CB SER A 69 59.797 1.887 11.082 1.00 2.44 C ATOM 1029 OG SER A 69 60.268 2.428 9.855 1.00 2.71 O ATOM 0 H SER A 69 62.320 2.834 10.946 1.00 1.46 H new ATOM 0 HA SER A 69 60.694 1.286 12.982 1.00 1.52 H new ATOM 0 HB2 SER A 69 59.174 1.013 10.892 1.00 2.44 H new ATOM 0 HB3 SER A 69 59.174 2.617 11.599 1.00 2.44 H new ATOM 0 HG SER A 69 59.661 3.136 9.555 1.00 2.71 H new ATOM 1035 N GLY A 70 62.600 0.390 10.515 1.00 1.28 N ATOM 1036 CA GLY A 70 63.288 -0.805 9.951 1.00 1.43 C ATOM 1037 C GLY A 70 62.748 -1.092 8.548 1.00 1.29 C ATOM 1038 O GLY A 70 63.225 -1.970 7.858 1.00 1.59 O ATOM 0 H GLY A 70 62.916 1.288 10.148 1.00 1.28 H new ATOM 0 HA2 GLY A 70 64.363 -0.633 9.910 1.00 1.43 H new ATOM 0 HA3 GLY A 70 63.128 -1.668 10.597 1.00 1.43 H new ATOM 1042 N THR A 71 61.755 -0.359 8.122 1.00 0.89 N ATOM 1043 CA THR A 71 61.185 -0.595 6.765 1.00 0.79 C ATOM 1044 C THR A 71 61.902 0.272 5.726 1.00 0.76 C ATOM 1045 O THR A 71 62.466 1.301 6.045 1.00 0.83 O ATOM 1046 CB THR A 71 59.714 -0.192 6.876 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.626 1.157 7.314 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.007 -1.103 7.881 1.00 1.08 C ATOM 0 H THR A 71 61.315 0.392 8.654 1.00 0.89 H new ATOM 0 HA THR A 71 61.302 -1.631 6.446 1.00 0.79 H new ATOM 0 HB THR A 71 59.236 -0.290 5.901 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.791 1.199 8.279 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.959 -0.814 7.959 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.075 -2.138 7.544 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.483 -1.007 8.857 1.00 1.08 H new ATOM 1056 N VAL A 72 61.884 -0.135 4.486 1.00 0.73 N ATOM 1057 CA VAL A 72 62.563 0.662 3.424 1.00 0.77 C ATOM 1058 C VAL A 72 61.829 0.497 2.091 1.00 0.80 C ATOM 1059 O VAL A 72 61.641 -0.602 1.608 1.00 1.00 O ATOM 1060 CB VAL A 72 63.975 0.081 3.337 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.678 0.616 2.087 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.767 0.489 4.580 1.00 1.13 C ATOM 0 H VAL A 72 61.427 -0.987 4.162 1.00 0.73 H new ATOM 0 HA VAL A 72 62.575 1.728 3.649 1.00 0.77 H new ATOM 0 HB VAL A 72 63.916 -1.006 3.279 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.684 0.200 2.029 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.114 0.327 1.200 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.738 1.703 2.140 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.774 0.076 4.521 1.00 1.13 H new ATOM 0 HG22 VAL A 72 64.823 1.576 4.635 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.269 0.106 5.471 1.00 1.13 H new ATOM 1072 N ASP A 73 61.411 1.580 1.493 1.00 0.77 N ATOM 1073 CA ASP A 73 60.688 1.481 0.191 1.00 0.83 C ATOM 1074 C ASP A 73 61.583 1.970 -0.950 1.00 0.87 C ATOM 1075 O ASP A 73 62.782 2.098 -0.802 1.00 0.87 O ATOM 1076 CB ASP A 73 59.470 2.392 0.343 1.00 0.85 C ATOM 1077 CG ASP A 73 59.922 3.778 0.805 1.00 1.80 C ATOM 1078 OD1 ASP A 73 60.962 4.223 0.348 1.00 2.57 O ATOM 1079 OD2 ASP A 73 59.222 4.371 1.609 1.00 2.47 O ATOM 0 H ASP A 73 61.538 2.528 1.848 1.00 0.77 H new ATOM 0 HA ASP A 73 60.404 0.456 -0.045 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.940 2.469 -0.606 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.772 1.966 1.064 1.00 0.85 H new ATOM 1084 N PHE A 74 61.007 2.244 -2.090 1.00 0.94 N ATOM 1085 CA PHE A 74 61.822 2.725 -3.243 1.00 0.98 C ATOM 1086 C PHE A 74 62.709 3.896 -2.810 1.00 0.86 C ATOM 1087 O PHE A 74 63.769 4.120 -3.360 1.00 0.83 O ATOM 1088 CB PHE A 74 60.797 3.180 -4.285 1.00 1.12 C ATOM 1089 CG PHE A 74 61.475 4.046 -5.321 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.630 3.592 -5.968 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.946 5.305 -5.633 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.256 4.396 -6.928 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.573 6.109 -6.592 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.728 5.655 -7.241 1.00 3.18 C ATOM 0 H PHE A 74 60.007 2.156 -2.273 1.00 0.94 H new ATOM 0 HA PHE A 74 62.486 1.954 -3.634 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.341 2.313 -4.763 1.00 1.12 H new ATOM 0 HB3 PHE A 74 59.994 3.736 -3.801 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.038 2.622 -5.727 1.00 1.97 H new ATOM 0 HD2 PHE A 74 60.055 5.655 -5.134 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.147 4.045 -7.428 1.00 2.84 H new ATOM 0 HE2 PHE A 74 61.166 7.080 -6.832 1.00 3.01 H new ATOM 0 HZ PHE A 74 63.211 6.275 -7.982 1.00 3.18 H new ATOM 1104 N ASP A 75 62.286 4.643 -1.829 1.00 0.83 N ATOM 1105 CA ASP A 75 63.107 5.798 -1.363 1.00 0.76 C ATOM 1106 C ASP A 75 64.153 5.329 -0.349 1.00 0.69 C ATOM 1107 O ASP A 75 65.340 5.380 -0.599 1.00 0.65 O ATOM 1108 CB ASP A 75 62.110 6.753 -0.705 1.00 0.81 C ATOM 1109 CG ASP A 75 62.478 8.196 -1.056 1.00 0.99 C ATOM 1110 OD1 ASP A 75 62.752 8.450 -2.217 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.478 9.021 -0.158 1.00 1.57 O ATOM 0 H ASP A 75 61.408 4.505 -1.329 1.00 0.83 H new ATOM 0 HA ASP A 75 63.650 6.275 -2.179 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.099 6.531 -1.046 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.119 6.617 0.376 1.00 0.81 H new ATOM 1116 N GLU A 76 63.721 4.870 0.796 1.00 0.77 N ATOM 1117 CA GLU A 76 64.692 4.398 1.823 1.00 0.78 C ATOM 1118 C GLU A 76 65.736 3.481 1.182 1.00 0.70 C ATOM 1119 O GLU A 76 66.867 3.410 1.619 1.00 0.70 O ATOM 1120 CB GLU A 76 63.847 3.628 2.839 1.00 0.95 C ATOM 1121 CG GLU A 76 62.697 4.514 3.321 1.00 1.51 C ATOM 1122 CD GLU A 76 62.283 4.092 4.733 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.138 3.620 5.463 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.118 4.248 5.059 1.00 1.72 O ATOM 0 H GLU A 76 62.739 4.802 1.063 1.00 0.77 H new ATOM 0 HA GLU A 76 65.238 5.220 2.287 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.454 2.718 2.386 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.464 3.323 3.684 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.004 5.560 3.318 1.00 1.51 H new ATOM 0 HG3 GLU A 76 61.849 4.429 2.641 1.00 1.51 H new ATOM 1131 N PHE A 77 65.367 2.779 0.144 1.00 0.72 N ATOM 1132 CA PHE A 77 66.343 1.870 -0.524 1.00 0.73 C ATOM 1133 C PHE A 77 67.479 2.687 -1.145 1.00 0.67 C ATOM 1134 O PHE A 77 68.623 2.578 -0.750 1.00 0.69 O ATOM 1135 CB PHE A 77 65.541 1.155 -1.611 1.00 0.84 C ATOM 1136 CG PHE A 77 66.349 0.004 -2.158 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.922 -0.927 -1.283 1.00 1.83 C ATOM 1138 CD2 PHE A 77 66.529 -0.132 -3.540 1.00 1.32 C ATOM 1139 CE1 PHE A 77 67.673 -1.993 -1.788 1.00 2.03 C ATOM 1140 CE2 PHE A 77 67.281 -1.200 -4.045 1.00 1.48 C ATOM 1141 CZ PHE A 77 67.853 -2.131 -3.169 1.00 1.46 C ATOM 0 H PHE A 77 64.435 2.795 -0.269 1.00 0.72 H new ATOM 0 HA PHE A 77 66.798 1.166 0.173 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.599 0.790 -1.202 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.292 1.851 -2.412 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.784 -0.822 -0.217 1.00 1.83 H new ATOM 0 HD2 PHE A 77 66.088 0.586 -4.216 1.00 1.32 H new ATOM 0 HE1 PHE A 77 68.114 -2.710 -1.112 1.00 2.03 H new ATOM 0 HE2 PHE A 77 67.420 -1.306 -5.111 1.00 1.48 H new ATOM 0 HZ PHE A 77 68.433 -2.955 -3.559 1.00 1.46 H new ATOM 1151 N LEU A 78 67.172 3.511 -2.111 1.00 0.66 N ATOM 1152 CA LEU A 78 68.236 4.338 -2.749 1.00 0.68 C ATOM 1153 C LEU A 78 68.985 5.137 -1.681 1.00 0.62 C ATOM 1154 O LEU A 78 70.085 5.604 -1.897 1.00 0.64 O ATOM 1155 CB LEU A 78 67.496 5.276 -3.705 1.00 0.77 C ATOM 1156 CG LEU A 78 66.627 4.458 -4.665 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.169 5.348 -5.823 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.437 3.285 -5.218 1.00 1.41 C ATOM 0 H LEU A 78 66.233 3.647 -2.485 1.00 0.66 H new ATOM 0 HA LEU A 78 68.975 3.732 -3.273 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.875 5.970 -3.139 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.212 5.875 -4.268 1.00 0.77 H new ATOM 0 HG LEU A 78 65.757 4.078 -4.129 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.551 4.766 -6.506 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.590 6.184 -5.432 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.040 5.728 -6.356 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.817 2.704 -5.901 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.308 3.664 -5.752 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.764 2.649 -4.396 1.00 1.41 H new ATOM 1170 N VAL A 79 68.396 5.289 -0.526 1.00 0.59 N ATOM 1171 CA VAL A 79 69.071 6.051 0.562 1.00 0.61 C ATOM 1172 C VAL A 79 70.022 5.131 1.332 1.00 0.63 C ATOM 1173 O VAL A 79 70.951 5.577 1.974 1.00 0.68 O ATOM 1174 CB VAL A 79 67.939 6.531 1.468 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.523 7.303 2.653 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.008 7.447 0.672 1.00 0.70 C ATOM 0 H VAL A 79 67.476 4.918 -0.289 1.00 0.59 H new ATOM 0 HA VAL A 79 69.667 6.881 0.182 1.00 0.61 H new ATOM 0 HB VAL A 79 67.379 5.672 1.837 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.714 7.645 3.299 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.189 6.651 3.219 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.083 8.163 2.286 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.199 7.791 1.316 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.570 8.306 0.304 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.591 6.897 -0.172 1.00 0.70 H new ATOM 1186 N MET A 80 69.795 3.847 1.268 1.00 0.65 N ATOM 1187 CA MET A 80 70.684 2.895 1.994 1.00 0.72 C ATOM 1188 C MET A 80 72.012 2.736 1.249 1.00 0.71 C ATOM 1189 O MET A 80 72.950 2.148 1.752 1.00 0.76 O ATOM 1190 CB MET A 80 69.919 1.573 2.015 1.00 0.80 C ATOM 1191 CG MET A 80 69.885 1.025 3.443 1.00 1.12 C ATOM 1192 SD MET A 80 68.279 0.249 3.754 1.00 2.17 S ATOM 1193 CE MET A 80 68.827 -1.468 3.601 1.00 2.77 C ATOM 0 H MET A 80 69.033 3.416 0.745 1.00 0.65 H new ATOM 0 HA MET A 80 70.924 3.242 2.999 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.904 1.722 1.647 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.396 0.854 1.350 1.00 0.80 H new ATOM 0 HG2 MET A 80 70.685 0.299 3.584 1.00 1.12 H new ATOM 0 HG3 MET A 80 70.056 1.831 4.157 1.00 1.12 H new ATOM 0 HE1 MET A 80 67.980 -2.136 3.759 1.00 2.77 H new ATOM 0 HE2 MET A 80 69.237 -1.632 2.604 1.00 2.77 H new ATOM 0 HE3 MET A 80 69.595 -1.673 4.347 1.00 2.77 H new ATOM 1203 N MET A 81 72.106 3.265 0.059 1.00 0.69 N ATOM 1204 CA MET A 81 73.387 3.150 -0.704 1.00 0.74 C ATOM 1205 C MET A 81 74.129 4.486 -0.653 1.00 0.75 C ATOM 1206 O MET A 81 75.308 4.564 -0.940 1.00 0.82 O ATOM 1207 CB MET A 81 73.039 2.783 -2.166 1.00 0.73 C ATOM 1208 CG MET A 81 71.524 2.646 -2.385 1.00 0.89 C ATOM 1209 SD MET A 81 70.900 1.218 -1.460 1.00 1.41 S ATOM 1210 CE MET A 81 71.827 -0.056 -2.352 1.00 1.21 C ATOM 0 H MET A 81 71.358 3.769 -0.417 1.00 0.69 H new ATOM 0 HA MET A 81 74.029 2.382 -0.272 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.433 3.548 -2.835 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.529 1.846 -2.430 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.016 3.553 -2.058 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.310 2.526 -3.447 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.154 -0.867 -2.631 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.267 0.376 -3.251 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.618 -0.445 -1.712 1.00 1.21 H new ATOM 1220 N VAL A 82 73.451 5.535 -0.280 1.00 0.72 N ATOM 1221 CA VAL A 82 74.118 6.864 -0.197 1.00 0.78 C ATOM 1222 C VAL A 82 75.020 6.909 1.039 1.00 0.81 C ATOM 1223 O VAL A 82 76.039 7.570 1.056 1.00 0.93 O ATOM 1224 CB VAL A 82 72.977 7.873 -0.064 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.532 9.212 0.425 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.306 8.066 -1.426 1.00 1.36 C ATOM 0 H VAL A 82 72.462 5.529 -0.029 1.00 0.72 H new ATOM 0 HA VAL A 82 74.744 7.074 -1.064 1.00 0.78 H new ATOM 0 HB VAL A 82 72.245 7.500 0.653 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.718 9.931 0.519 1.00 1.08 H new ATOM 0 HG12 VAL A 82 74.010 9.075 1.395 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.264 9.585 -0.291 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.492 8.785 -1.332 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.038 8.438 -2.143 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.909 7.113 -1.774 1.00 1.36 H new ATOM 1236 N ARG A 83 74.648 6.203 2.073 1.00 0.79 N ATOM 1237 CA ARG A 83 75.477 6.192 3.310 1.00 0.85 C ATOM 1238 C ARG A 83 76.493 5.049 3.253 1.00 0.90 C ATOM 1239 O ARG A 83 77.499 5.062 3.933 1.00 1.00 O ATOM 1240 CB ARG A 83 74.482 5.968 4.449 1.00 0.87 C ATOM 1241 CG ARG A 83 74.683 7.038 5.523 1.00 1.07 C ATOM 1242 CD ARG A 83 73.358 7.299 6.242 1.00 0.92 C ATOM 1243 NE ARG A 83 73.409 8.736 6.631 1.00 1.62 N ATOM 1244 CZ ARG A 83 73.882 9.078 7.798 1.00 1.83 C ATOM 1245 NH1 ARG A 83 75.172 9.088 8.002 1.00 2.49 N ATOM 1246 NH2 ARG A 83 73.067 9.410 8.761 1.00 2.14 N ATOM 0 H ARG A 83 73.803 5.632 2.113 1.00 0.79 H new ATOM 0 HA ARG A 83 76.043 7.115 3.438 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.462 6.008 4.067 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.623 4.976 4.879 1.00 0.87 H new ATOM 0 HG2 ARG A 83 75.438 6.712 6.238 1.00 1.07 H new ATOM 0 HG3 ARG A 83 75.050 7.959 5.069 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.508 7.096 5.590 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.250 6.657 7.116 1.00 0.92 H new ATOM 0 HE ARG A 83 73.075 9.452 5.986 1.00 1.62 H new ATOM 0 HH11 ARG A 83 75.809 8.829 7.249 1.00 2.49 H new ATOM 0 HH12 ARG A 83 75.542 9.355 8.914 1.00 2.49 H new ATOM 0 HH21 ARG A 83 72.060 9.402 8.602 1.00 2.14 H new ATOM 0 HH22 ARG A 83 73.437 9.677 9.673 1.00 2.14 H new ATOM 1260 N SER A 84 76.235 4.058 2.442 1.00 0.92 N ATOM 1261 CA SER A 84 77.182 2.911 2.337 1.00 1.01 C ATOM 1262 C SER A 84 78.172 3.145 1.192 1.00 1.06 C ATOM 1263 O SER A 84 79.105 2.390 1.003 1.00 1.38 O ATOM 1264 CB SER A 84 76.302 1.698 2.044 1.00 1.04 C ATOM 1265 OG SER A 84 77.023 0.511 2.345 1.00 1.52 O ATOM 0 H SER A 84 75.409 3.994 1.847 1.00 0.92 H new ATOM 0 HA SER A 84 77.772 2.778 3.244 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.390 1.744 2.639 1.00 1.04 H new ATOM 0 HB3 SER A 84 76.000 1.698 0.997 1.00 1.04 H new ATOM 0 HG SER A 84 76.470 -0.270 2.134 1.00 1.52 H new ATOM 1271 N MET A 85 77.977 4.184 0.428 1.00 0.00 N ATOM 1272 CA MET A 85 78.907 4.463 -0.703 1.00 0.00 C ATOM 1273 C MET A 85 79.838 5.625 -0.347 1.00 0.00 C ATOM 1274 O MET A 85 81.039 5.463 -0.244 1.00 0.00 O ATOM 1275 CB MET A 85 78.002 4.844 -1.876 1.00 0.00 C ATOM 1276 CG MET A 85 77.513 3.575 -2.576 1.00 0.00 C ATOM 1277 SD MET A 85 77.456 3.857 -4.363 1.00 0.00 S ATOM 1278 CE MET A 85 75.971 2.881 -4.700 1.00 0.00 C ATOM 0 H MET A 85 77.214 4.852 0.538 1.00 0.00 H new ATOM 0 HA MET A 85 79.540 3.607 -0.937 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.152 5.426 -1.519 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.547 5.474 -2.580 1.00 0.00 H new ATOM 0 HG2 MET A 85 78.179 2.742 -2.349 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.524 3.302 -2.208 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.224 2.047 -5.355 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.568 2.497 -3.763 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.225 3.510 -5.186 1.00 0.00 H new ATOM 1288 N LYS A 86 79.295 6.796 -0.157 1.00 0.00 N ATOM 1289 CA LYS A 86 80.150 7.967 0.192 1.00 0.00 C ATOM 1290 C LYS A 86 79.585 8.685 1.422 1.00 0.00 C ATOM 1291 O LYS A 86 78.639 8.232 2.037 1.00 0.00 O ATOM 1292 CB LYS A 86 80.093 8.879 -1.033 1.00 0.00 C ATOM 1293 CG LYS A 86 78.720 9.550 -1.110 1.00 0.00 C ATOM 1294 CD LYS A 86 78.551 10.213 -2.477 1.00 0.00 C ATOM 1295 CE LYS A 86 78.370 11.722 -2.296 1.00 0.00 C ATOM 1296 NZ LYS A 86 79.616 12.327 -2.845 1.00 0.00 N ATOM 0 H LYS A 86 78.297 6.993 -0.228 1.00 0.00 H new ATOM 0 HA LYS A 86 81.172 7.675 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 86 80.876 9.635 -0.973 1.00 0.00 H new ATOM 0 HB3 LYS A 86 80.278 8.301 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 86 77.934 8.812 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 86 78.622 10.294 -0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 86 79.423 10.013 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 86 77.688 9.792 -2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 86 77.489 12.081 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 86 78.235 11.980 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 79.568 13.362 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 80.437 11.972 -2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 79.714 12.070 -3.848 1.00 0.00 H new ATOM 1310 N ASP A 87 80.158 9.799 1.783 1.00 0.00 N ATOM 1311 CA ASP A 87 79.655 10.545 2.973 1.00 0.00 C ATOM 1312 C ASP A 87 79.545 9.607 4.178 1.00 0.00 C ATOM 1313 O ASP A 87 78.602 8.852 4.306 1.00 0.00 O ATOM 1314 CB ASP A 87 78.273 11.056 2.563 1.00 0.00 C ATOM 1315 CG ASP A 87 78.218 12.575 2.739 1.00 0.00 C ATOM 1316 OD1 ASP A 87 79.272 13.191 2.727 1.00 0.00 O ATOM 1317 OD2 ASP A 87 77.126 13.097 2.882 1.00 0.00 O ATOM 0 H ASP A 87 80.952 10.226 1.307 1.00 0.00 H new ATOM 0 HA ASP A 87 80.321 11.357 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 87 78.069 10.792 1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 87 77.503 10.581 3.170 1.00 0.00 H new ATOM 1322 N ASP A 88 80.503 9.650 5.064 1.00 0.00 N ATOM 1323 CA ASP A 88 80.453 8.761 6.261 1.00 0.00 C ATOM 1324 C ASP A 88 80.365 7.295 5.829 1.00 0.00 C ATOM 1325 O ASP A 88 79.510 6.557 6.276 1.00 0.00 O ATOM 1326 CB ASP A 88 79.184 9.175 7.007 1.00 0.00 C ATOM 1327 CG ASP A 88 79.564 9.882 8.310 1.00 0.00 C ATOM 1328 OD1 ASP A 88 80.187 10.927 8.234 1.00 0.00 O ATOM 1329 OD2 ASP A 88 79.227 9.363 9.362 1.00 0.00 O ATOM 0 H ASP A 88 81.318 10.262 5.011 1.00 0.00 H new ATOM 0 HA ASP A 88 81.343 8.856 6.883 1.00 0.00 H new ATOM 0 HB2 ASP A 88 78.583 9.837 6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 88 78.573 8.298 7.222 1.00 0.00 H new ATOM 1334 N SER A 89 81.243 6.868 4.962 1.00 0.00 N ATOM 1335 CA SER A 89 81.208 5.450 4.503 1.00 0.00 C ATOM 1336 C SER A 89 81.615 4.513 5.644 1.00 0.00 C ATOM 1337 O SER A 89 82.331 3.562 5.376 1.00 0.00 O ATOM 1338 CB SER A 89 82.221 5.378 3.363 1.00 0.00 C ATOM 1339 OG SER A 89 83.481 4.971 3.879 1.00 0.00 O ATOM 1340 OXT SER A 89 81.202 4.761 6.764 1.00 0.00 O ATOM 0 H SER A 89 81.982 7.439 4.552 1.00 0.00 H new ATOM 0 HA SER A 89 80.212 5.145 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 89 81.882 4.674 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 89 82.310 6.350 2.879 1.00 0.00 H new ATOM 0 HG SER A 89 83.440 4.026 4.134 1.00 0.00 H new TER 1346 SER A 89 HETATM 1347 CA CA A 90 61.235 3.378 7.477 1.00 1.15 CA