USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 631 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 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 61 TYR OH : rot 67:sc= 0.0807 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.637 USER MOD Set 2.2: A 19 GLN : amide:sc= 0.709 K(o=1.3,f=0.14) USER MOD Set 3.1: A 7 GLN : amide:sc= 0.805 K(o=0.5,f=-0.47) USER MOD Set 3.2: A 8 TYR OH : rot 100:sc= -0.187 USER MOD Set 3.3: A 82 HIS :FLIP no HD1:sc= -0.121 F(o=-0.85!,f=0.5) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0561 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 135:sc= 0.161 (180deg=-0.0261) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= 0.9 K(o=0.9,f=-4.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -131:sc= 0 (180deg=-0.0202) USER MOD Single : A 30 TYR OH : rot 77:sc= 0.817 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.41 K(o=-1.4,f=-4.7!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.22) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.308 X(o=-0.31,f=-0.31) USER MOD Single : A 52 SER OG : rot -84:sc= 0.105 USER MOD Single : A 53 HIS : no HE2:sc= -0.0112 K(o=-0.011,f=-3.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0894 USER MOD Single : A 57 MET CE :methyl 174:sc= -1.82 (180deg=-1.87) USER MOD Single : A 60 ASN : amide:sc= -3.16! C(o=-3.2!,f=-7.4!) USER MOD Single : A 65 THR OG1 : rot -150:sc= 0.0848 USER MOD Single : A 67 THR OG1 : rot -42:sc= 0.085 USER MOD Single : A 70 LYS NZ :NH3+ -138:sc= 1.07 (180deg=-0.629) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00789) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.482 -20.344 -7.290 1.00 0.00 N ATOM 2 CA GLY A 1 -13.697 -19.285 -6.646 1.00 0.00 C ATOM 3 C GLY A 1 -12.644 -18.711 -7.568 1.00 0.00 C ATOM 4 O GLY A 1 -12.734 -18.840 -8.792 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.495 -20.172 -7.128 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.290 -20.346 -8.312 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.218 -21.266 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.365 -18.488 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.216 -19.684 -5.753 1.00 0.00 H new ATOM 8 N ALA A 2 -11.625 -18.096 -6.968 1.00 0.00 N ATOM 9 CA ALA A 2 -10.354 -17.744 -7.589 1.00 0.00 C ATOM 10 C ALA A 2 -9.243 -18.298 -6.697 1.00 0.00 C ATOM 11 O ALA A 2 -9.529 -18.731 -5.578 1.00 0.00 O ATOM 12 CB ALA A 2 -10.262 -16.223 -7.763 1.00 0.00 C ATOM 0 H ALA A 2 -11.668 -17.817 -5.988 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.259 -18.175 -8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.310 -15.967 -8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.079 -15.879 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.332 -15.740 -6.788 1.00 0.00 H new ATOM 18 N ALA A 3 -7.999 -18.306 -7.172 1.00 0.00 N ATOM 19 CA ALA A 3 -6.854 -18.790 -6.409 1.00 0.00 C ATOM 20 C ALA A 3 -5.601 -18.109 -6.958 1.00 0.00 C ATOM 21 O ALA A 3 -4.820 -18.719 -7.691 1.00 0.00 O ATOM 22 CB ALA A 3 -6.778 -20.325 -6.479 1.00 0.00 C ATOM 0 H ALA A 3 -7.757 -17.974 -8.105 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.950 -18.539 -5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.919 -20.673 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.690 -20.754 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.671 -20.637 -7.518 1.00 0.00 H new ATOM 28 N GLY A 4 -5.449 -16.831 -6.641 1.00 0.00 N ATOM 29 CA GLY A 4 -4.344 -15.987 -7.039 1.00 0.00 C ATOM 30 C GLY A 4 -4.229 -14.852 -6.044 1.00 0.00 C ATOM 31 O GLY A 4 -3.847 -15.063 -4.895 1.00 0.00 O ATOM 0 H GLY A 4 -6.132 -16.334 -6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.418 -16.562 -7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.508 -15.596 -8.043 1.00 0.00 H new ATOM 35 N ILE A 5 -4.648 -13.660 -6.458 1.00 0.00 N ATOM 36 CA ILE A 5 -4.597 -12.471 -5.617 1.00 0.00 C ATOM 37 C ILE A 5 -5.962 -11.848 -5.394 1.00 0.00 C ATOM 38 O ILE A 5 -6.130 -11.073 -4.456 1.00 0.00 O ATOM 39 CB ILE A 5 -3.595 -11.434 -6.162 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.036 -10.781 -7.488 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.188 -12.038 -6.288 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.177 -9.563 -7.856 1.00 0.00 C ATOM 0 H ILE A 5 -5.033 -13.492 -7.388 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.242 -12.804 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.570 -10.630 -5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.979 -11.518 -8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.079 -10.476 -7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.502 -11.284 -6.675 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.846 -12.371 -5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.216 -12.887 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.529 -9.141 -8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.255 -8.812 -7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.137 -9.870 -7.963 1.00 0.00 H new ATOM 54 N ASP A 6 -6.945 -12.195 -6.221 1.00 0.00 N ATOM 55 CA ASP A 6 -8.273 -11.609 -6.158 1.00 0.00 C ATOM 56 C ASP A 6 -8.949 -11.902 -4.823 1.00 0.00 C ATOM 57 O ASP A 6 -9.706 -11.086 -4.307 1.00 0.00 O ATOM 58 CB ASP A 6 -9.099 -12.171 -7.302 1.00 0.00 C ATOM 59 CG ASP A 6 -10.298 -11.279 -7.562 1.00 0.00 C ATOM 60 OD1 ASP A 6 -10.145 -10.274 -8.289 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.426 -11.628 -7.157 1.00 0.00 O ATOM 0 H ASP A 6 -6.838 -12.894 -6.956 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.191 -10.526 -6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.488 -12.244 -8.201 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.432 -13.180 -7.060 1.00 0.00 H new ATOM 66 N GLN A 7 -8.623 -13.051 -4.231 1.00 0.00 N ATOM 67 CA GLN A 7 -9.059 -13.499 -2.919 1.00 0.00 C ATOM 68 C GLN A 7 -8.550 -12.600 -1.784 1.00 0.00 C ATOM 69 O GLN A 7 -9.162 -12.586 -0.718 1.00 0.00 O ATOM 70 CB GLN A 7 -8.633 -14.965 -2.756 1.00 0.00 C ATOM 71 CG GLN A 7 -7.118 -15.193 -2.657 1.00 0.00 C ATOM 72 CD GLN A 7 -6.738 -16.635 -2.998 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.507 -17.584 -2.833 1.00 0.00 O ATOM 74 NE2 GLN A 7 -5.558 -16.854 -3.548 1.00 0.00 N ATOM 0 H GLN A 7 -8.012 -13.730 -4.685 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.144 -13.426 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.105 -15.367 -1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.017 -15.535 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.603 -14.511 -3.334 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.780 -14.957 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.910 -16.079 -3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.294 -17.798 -3.830 1.00 0.00 H new ATOM 83 N TYR A 8 -7.489 -11.824 -2.013 1.00 0.00 N ATOM 84 CA TYR A 8 -6.959 -10.830 -1.087 1.00 0.00 C ATOM 85 C TYR A 8 -7.305 -9.412 -1.539 1.00 0.00 C ATOM 86 O TYR A 8 -6.823 -8.461 -0.927 1.00 0.00 O ATOM 87 CB TYR A 8 -5.437 -10.989 -0.952 1.00 0.00 C ATOM 88 CG TYR A 8 -4.977 -12.416 -0.750 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.383 -13.133 0.387 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.213 -13.047 -1.746 1.00 0.00 C ATOM 91 CE1 TYR A 8 -5.057 -14.495 0.508 1.00 0.00 C ATOM 92 CE2 TYR A 8 -3.880 -14.406 -1.629 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.327 -15.148 -0.514 1.00 0.00 C ATOM 94 OH TYR A 8 -4.163 -16.500 -0.490 1.00 0.00 O ATOM 0 H TYR A 8 -6.958 -11.875 -2.882 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.422 -10.995 -0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.961 -10.589 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.093 -10.386 -0.111 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.944 -12.639 1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.880 -12.484 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.365 -15.046 1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.282 -14.883 -2.391 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.805 -16.918 -1.101 1.00 0.00 H new ATOM 104 N ALA A 9 -8.049 -9.233 -2.638 1.00 0.00 N ATOM 105 CA ALA A 9 -8.410 -7.916 -3.135 1.00 0.00 C ATOM 106 C ALA A 9 -9.441 -7.316 -2.181 1.00 0.00 C ATOM 107 O ALA A 9 -10.639 -7.589 -2.305 1.00 0.00 O ATOM 108 CB ALA A 9 -8.919 -8.002 -4.581 1.00 0.00 C ATOM 0 H ALA A 9 -8.413 -10.002 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.539 -7.262 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.184 -7.005 -4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.137 -8.416 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.798 -8.646 -4.620 1.00 0.00 H new ATOM 114 N LEU A 10 -8.983 -6.494 -1.239 1.00 0.00 N ATOM 115 CA LEU A 10 -9.839 -5.744 -0.338 1.00 0.00 C ATOM 116 C LEU A 10 -10.316 -4.501 -1.081 1.00 0.00 C ATOM 117 O LEU A 10 -9.681 -4.049 -2.042 1.00 0.00 O ATOM 118 CB LEU A 10 -9.067 -5.334 0.930 1.00 0.00 C ATOM 119 CG LEU A 10 -8.624 -6.488 1.852 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.795 -5.915 3.010 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.810 -7.272 2.419 1.00 0.00 C ATOM 0 H LEU A 10 -7.988 -6.331 -1.082 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.685 -6.358 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.181 -4.776 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.692 -4.653 1.508 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.031 -7.180 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.478 -6.725 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.917 -5.406 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.400 -5.206 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.443 -8.073 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.444 -6.603 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.388 -7.700 1.600 1.00 0.00 H new ATOM 133 N LYS A 11 -11.439 -3.941 -0.637 1.00 0.00 N ATOM 134 CA LYS A 11 -12.102 -2.804 -1.274 1.00 0.00 C ATOM 135 C LYS A 11 -12.417 -1.699 -0.263 1.00 0.00 C ATOM 136 O LYS A 11 -13.026 -0.690 -0.613 1.00 0.00 O ATOM 137 CB LYS A 11 -13.387 -3.300 -1.964 1.00 0.00 C ATOM 138 CG LYS A 11 -13.216 -4.596 -2.770 1.00 0.00 C ATOM 139 CD LYS A 11 -12.331 -4.388 -4.008 1.00 0.00 C ATOM 140 CE LYS A 11 -11.590 -5.645 -4.475 1.00 0.00 C ATOM 141 NZ LYS A 11 -12.449 -6.846 -4.562 1.00 0.00 N ATOM 0 H LYS A 11 -11.925 -4.273 0.196 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.431 -2.372 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.154 -3.457 -1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.752 -2.518 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.776 -5.364 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.195 -4.962 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.952 -4.022 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.600 -3.610 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.149 -5.453 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.768 -5.847 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.258 -7.346 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.245 -7.477 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.449 -6.561 -4.533 1.00 0.00 H new ATOM 155 N GLU A 12 -12.046 -1.927 0.990 1.00 0.00 N ATOM 156 CA GLU A 12 -12.235 -1.092 2.165 1.00 0.00 C ATOM 157 C GLU A 12 -11.460 -1.760 3.300 1.00 0.00 C ATOM 158 O GLU A 12 -11.175 -2.961 3.208 1.00 0.00 O ATOM 159 CB GLU A 12 -13.726 -0.999 2.527 1.00 0.00 C ATOM 160 CG GLU A 12 -14.367 -2.375 2.769 1.00 0.00 C ATOM 161 CD GLU A 12 -15.885 -2.381 2.634 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.583 -1.913 3.561 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.365 -2.952 1.625 1.00 0.00 O ATOM 0 H GLU A 12 -11.556 -2.789 1.231 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.880 -0.078 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.840 -0.387 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.259 -0.491 1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.946 -3.090 2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.099 -2.719 3.768 1.00 0.00 H new ATOM 170 N PHE A 13 -11.155 -1.012 4.358 1.00 0.00 N ATOM 171 CA PHE A 13 -10.582 -1.512 5.609 1.00 0.00 C ATOM 172 C PHE A 13 -10.620 -0.399 6.666 1.00 0.00 C ATOM 173 O PHE A 13 -10.984 0.741 6.360 1.00 0.00 O ATOM 174 CB PHE A 13 -9.138 -2.034 5.410 1.00 0.00 C ATOM 175 CG PHE A 13 -8.081 -0.995 5.108 1.00 0.00 C ATOM 176 CD1 PHE A 13 -7.937 -0.485 3.804 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.213 -0.564 6.127 1.00 0.00 C ATOM 178 CE1 PHE A 13 -6.934 0.457 3.524 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.220 0.386 5.850 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.079 0.895 4.550 1.00 0.00 C ATOM 0 H PHE A 13 -11.305 -0.003 4.370 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.180 -2.357 5.950 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.842 -2.570 6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.146 -2.759 4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.599 -0.818 3.018 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.312 -0.966 7.125 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.820 0.844 2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.563 0.726 6.637 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.312 1.625 4.337 1.00 0.00 H new ATOM 190 N THR A 14 -10.178 -0.719 7.880 1.00 0.00 N ATOM 191 CA THR A 14 -9.842 0.231 8.931 1.00 0.00 C ATOM 192 C THR A 14 -8.481 -0.211 9.474 1.00 0.00 C ATOM 193 O THR A 14 -8.221 -1.415 9.601 1.00 0.00 O ATOM 194 CB THR A 14 -10.918 0.250 10.039 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.234 0.267 9.512 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.816 1.462 10.971 1.00 0.00 C ATOM 0 H THR A 14 -10.039 -1.688 8.167 1.00 0.00 H new ATOM 0 HA THR A 14 -9.800 1.250 8.547 1.00 0.00 H new ATOM 0 HB THR A 14 -10.727 -0.667 10.597 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.881 0.277 10.248 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.602 1.409 11.724 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.843 1.462 11.462 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.930 2.378 10.391 1.00 0.00 H new ATOM 204 N ALA A 15 -7.607 0.742 9.779 1.00 0.00 N ATOM 205 CA ALA A 15 -6.402 0.545 10.567 1.00 0.00 C ATOM 206 C ALA A 15 -6.166 1.847 11.321 1.00 0.00 C ATOM 207 O ALA A 15 -6.587 2.898 10.843 1.00 0.00 O ATOM 208 CB ALA A 15 -5.214 0.223 9.655 1.00 0.00 C ATOM 0 H ALA A 15 -7.725 1.707 9.472 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.511 -0.292 11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.319 0.078 10.260 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.423 -0.687 9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.053 1.049 8.962 1.00 0.00 H new ATOM 214 N ASP A 16 -5.457 1.809 12.452 1.00 0.00 N ATOM 215 CA ASP A 16 -5.073 3.014 13.209 1.00 0.00 C ATOM 216 C ASP A 16 -6.244 3.928 13.579 1.00 0.00 C ATOM 217 O ASP A 16 -6.088 5.134 13.788 1.00 0.00 O ATOM 218 CB ASP A 16 -4.045 3.782 12.386 1.00 0.00 C ATOM 219 CG ASP A 16 -3.232 4.775 13.204 1.00 0.00 C ATOM 220 OD1 ASP A 16 -2.786 4.419 14.315 1.00 0.00 O ATOM 221 OD2 ASP A 16 -3.078 5.934 12.761 1.00 0.00 O ATOM 0 H ASP A 16 -5.129 0.940 12.874 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.661 2.681 14.162 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.367 3.072 11.912 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.557 4.316 11.586 1.00 0.00 H new ATOM 226 N PHE A 17 -7.418 3.309 13.695 1.00 0.00 N ATOM 227 CA PHE A 17 -8.704 3.934 13.981 1.00 0.00 C ATOM 228 C PHE A 17 -9.100 4.941 12.893 1.00 0.00 C ATOM 229 O PHE A 17 -9.827 5.902 13.146 1.00 0.00 O ATOM 230 CB PHE A 17 -8.704 4.528 15.395 1.00 0.00 C ATOM 231 CG PHE A 17 -8.070 3.648 16.453 1.00 0.00 C ATOM 232 CD1 PHE A 17 -6.688 3.727 16.701 1.00 0.00 C ATOM 233 CD2 PHE A 17 -8.851 2.723 17.166 1.00 0.00 C ATOM 234 CE1 PHE A 17 -6.091 2.879 17.641 1.00 0.00 C ATOM 235 CE2 PHE A 17 -8.265 1.914 18.157 1.00 0.00 C ATOM 236 CZ PHE A 17 -6.877 1.984 18.378 1.00 0.00 C ATOM 0 H PHE A 17 -7.499 2.298 13.585 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.480 3.169 13.960 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.178 5.482 15.373 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.733 4.738 15.686 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.085 4.445 16.164 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.906 2.632 16.953 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.023 2.915 17.798 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.876 1.244 18.744 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.417 1.346 19.118 1.00 0.00 H new ATOM 246 N THR A 18 -8.645 4.707 11.667 1.00 0.00 N ATOM 247 CA THR A 18 -8.911 5.509 10.492 1.00 0.00 C ATOM 248 C THR A 18 -9.472 4.536 9.457 1.00 0.00 C ATOM 249 O THR A 18 -8.998 3.401 9.334 1.00 0.00 O ATOM 250 CB THR A 18 -7.611 6.199 10.043 1.00 0.00 C ATOM 251 OG1 THR A 18 -6.959 6.841 11.130 1.00 0.00 O ATOM 252 CG2 THR A 18 -7.867 7.257 8.967 1.00 0.00 C ATOM 0 H THR A 18 -8.048 3.906 11.462 1.00 0.00 H new ATOM 0 HA THR A 18 -9.627 6.313 10.663 1.00 0.00 H new ATOM 0 HB THR A 18 -6.980 5.407 9.640 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.136 7.268 10.812 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.923 7.719 8.679 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.322 6.787 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.539 8.020 9.360 1.00 0.00 H new ATOM 260 N GLN A 19 -10.532 4.944 8.771 1.00 0.00 N ATOM 261 CA GLN A 19 -11.297 4.089 7.887 1.00 0.00 C ATOM 262 C GLN A 19 -11.067 4.515 6.445 1.00 0.00 C ATOM 263 O GLN A 19 -10.778 5.683 6.170 1.00 0.00 O ATOM 264 CB GLN A 19 -12.763 4.161 8.317 1.00 0.00 C ATOM 265 CG GLN A 19 -13.581 3.143 7.536 1.00 0.00 C ATOM 266 CD GLN A 19 -14.791 2.686 8.321 1.00 0.00 C ATOM 267 OE1 GLN A 19 -15.773 3.406 8.459 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.720 1.499 8.882 1.00 0.00 N ATOM 0 H GLN A 19 -10.887 5.899 8.818 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.980 3.048 7.951 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.848 3.966 9.386 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.153 5.164 8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.903 3.581 6.591 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.957 2.283 7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.890 0.921 8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.495 1.156 9.449 1.00 0.00 H new ATOM 277 N PHE A 20 -11.157 3.552 5.531 1.00 0.00 N ATOM 278 CA PHE A 20 -10.580 3.667 4.206 1.00 0.00 C ATOM 279 C PHE A 20 -11.410 2.894 3.193 1.00 0.00 C ATOM 280 O PHE A 20 -11.951 1.825 3.499 1.00 0.00 O ATOM 281 CB PHE A 20 -9.163 3.085 4.267 1.00 0.00 C ATOM 282 CG PHE A 20 -8.208 3.794 5.214 1.00 0.00 C ATOM 283 CD1 PHE A 20 -7.811 5.116 4.950 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.721 3.146 6.365 1.00 0.00 C ATOM 285 CE1 PHE A 20 -6.877 5.756 5.777 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.774 3.782 7.194 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.338 5.082 6.885 1.00 0.00 C ATOM 0 H PHE A 20 -11.636 2.667 5.696 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.559 4.712 3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.231 2.038 4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.736 3.106 3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.228 5.643 4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.075 2.156 6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.571 6.769 5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.385 3.272 8.063 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.590 5.562 7.499 1.00 0.00 H new ATOM 297 N HIS A 21 -11.466 3.415 1.967 1.00 0.00 N ATOM 298 CA HIS A 21 -12.221 2.868 0.843 1.00 0.00 C ATOM 299 C HIS A 21 -11.416 3.111 -0.441 1.00 0.00 C ATOM 300 O HIS A 21 -10.454 3.884 -0.417 1.00 0.00 O ATOM 301 CB HIS A 21 -13.601 3.541 0.776 1.00 0.00 C ATOM 302 CG HIS A 21 -14.329 3.633 2.098 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.188 4.637 3.034 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.248 2.742 2.583 1.00 0.00 C ATOM 305 CE1 HIS A 21 -14.993 4.352 4.069 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.651 3.198 3.846 1.00 0.00 N ATOM 0 H HIS A 21 -10.963 4.268 1.721 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.379 1.796 0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.479 4.547 0.374 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.224 2.990 0.072 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.580 5.452 2.953 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.599 1.851 2.084 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.098 4.961 4.955 1.00 0.00 H new ATOM 314 N ILE A 22 -11.774 2.474 -1.561 1.00 0.00 N ATOM 315 CA ILE A 22 -11.108 2.732 -2.838 1.00 0.00 C ATOM 316 C ILE A 22 -11.522 4.143 -3.264 1.00 0.00 C ATOM 317 O ILE A 22 -12.712 4.404 -3.450 1.00 0.00 O ATOM 318 CB ILE A 22 -11.462 1.654 -3.895 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.092 0.217 -3.464 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.819 1.964 -5.259 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.594 -0.055 -3.286 1.00 0.00 C ATOM 0 H ILE A 22 -12.519 1.779 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.024 2.675 -2.739 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.547 1.695 -3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.597 -0.003 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.484 -0.478 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.090 1.187 -5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.177 2.929 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.735 1.996 -5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.446 -1.092 -2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.077 0.125 -4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.192 0.608 -2.520 1.00 0.00 H new ATOM 333 N GLY A 23 -10.556 5.053 -3.390 1.00 0.00 N ATOM 334 CA GLY A 23 -10.790 6.433 -3.797 1.00 0.00 C ATOM 335 C GLY A 23 -10.773 7.426 -2.638 1.00 0.00 C ATOM 336 O GLY A 23 -10.701 8.623 -2.908 1.00 0.00 O ATOM 0 H GLY A 23 -9.574 4.846 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.030 6.722 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.754 6.495 -4.303 1.00 0.00 H new ATOM 340 N ASP A 24 -10.778 6.978 -1.380 1.00 0.00 N ATOM 341 CA ASP A 24 -10.467 7.843 -0.233 1.00 0.00 C ATOM 342 C ASP A 24 -8.957 8.169 -0.297 1.00 0.00 C ATOM 343 O ASP A 24 -8.261 7.688 -1.192 1.00 0.00 O ATOM 344 CB ASP A 24 -10.878 7.147 1.084 1.00 0.00 C ATOM 345 CG ASP A 24 -12.385 7.133 1.390 1.00 0.00 C ATOM 346 OD1 ASP A 24 -13.238 7.187 0.478 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.737 6.986 2.584 1.00 0.00 O ATOM 0 H ASP A 24 -10.995 6.014 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.029 8.776 -0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.522 6.117 1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.363 7.639 1.909 1.00 0.00 H new ATOM 352 N THR A 25 -8.385 8.945 0.633 1.00 0.00 N ATOM 353 CA THR A 25 -6.976 9.277 0.657 1.00 0.00 C ATOM 354 C THR A 25 -6.407 8.794 2.001 1.00 0.00 C ATOM 355 O THR A 25 -7.132 8.672 2.991 1.00 0.00 O ATOM 356 CB THR A 25 -6.796 10.799 0.533 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.889 11.573 0.989 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.469 11.303 -0.886 1.00 0.00 C ATOM 0 H THR A 25 -8.910 9.363 1.401 1.00 0.00 H new ATOM 0 HA THR A 25 -6.456 8.800 -0.174 1.00 0.00 H new ATOM 0 HB THR A 25 -5.938 10.946 1.189 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.686 12.525 0.874 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.361 12.388 -0.871 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.538 10.850 -1.227 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.276 11.028 -1.565 1.00 0.00 H new ATOM 366 N VAL A 26 -5.098 8.566 2.076 1.00 0.00 N ATOM 367 CA VAL A 26 -4.419 8.141 3.302 1.00 0.00 C ATOM 368 C VAL A 26 -4.051 9.343 4.186 1.00 0.00 C ATOM 369 O VAL A 26 -4.090 10.491 3.724 1.00 0.00 O ATOM 370 CB VAL A 26 -3.191 7.289 2.919 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.642 6.122 2.034 1.00 0.00 C ATOM 372 CG2 VAL A 26 -2.087 8.062 2.191 1.00 0.00 C ATOM 0 H VAL A 26 -4.470 8.672 1.279 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.092 7.529 3.902 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.759 6.944 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.777 5.517 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.357 5.507 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.113 6.511 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.263 7.388 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.485 8.480 1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.727 8.869 2.829 1.00 0.00 H new ATOM 382 N PRO A 27 -3.701 9.127 5.463 1.00 0.00 N ATOM 383 CA PRO A 27 -3.008 10.116 6.278 1.00 0.00 C ATOM 384 C PRO A 27 -1.552 10.294 5.826 1.00 0.00 C ATOM 385 O PRO A 27 -0.957 9.387 5.240 1.00 0.00 O ATOM 386 CB PRO A 27 -3.066 9.582 7.707 1.00 0.00 C ATOM 387 CG PRO A 27 -3.115 8.077 7.491 1.00 0.00 C ATOM 388 CD PRO A 27 -3.987 7.945 6.254 1.00 0.00 C ATOM 0 HA PRO A 27 -3.475 11.097 6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.194 9.881 8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.944 9.945 8.241 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.121 7.658 7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.546 7.559 8.348 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.753 7.035 5.702 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.043 7.894 6.519 1.00 0.00 H new ATOM 396 N ALA A 28 -0.951 11.440 6.170 1.00 0.00 N ATOM 397 CA ALA A 28 0.396 11.815 5.748 1.00 0.00 C ATOM 398 C ALA A 28 1.454 10.827 6.256 1.00 0.00 C ATOM 399 O ALA A 28 2.478 10.628 5.605 1.00 0.00 O ATOM 400 CB ALA A 28 0.693 13.236 6.232 1.00 0.00 C ATOM 0 H ALA A 28 -1.399 12.142 6.760 1.00 0.00 H new ATOM 0 HA ALA A 28 0.441 11.783 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.697 13.524 5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.032 13.926 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.626 13.272 7.319 1.00 0.00 H new ATOM 406 N MET A 29 1.166 10.141 7.364 1.00 0.00 N ATOM 407 CA MET A 29 2.011 9.133 7.995 1.00 0.00 C ATOM 408 C MET A 29 2.431 8.003 7.071 1.00 0.00 C ATOM 409 O MET A 29 3.415 7.333 7.376 1.00 0.00 O ATOM 410 CB MET A 29 1.308 8.533 9.222 1.00 0.00 C ATOM 411 CG MET A 29 -0.102 8.042 8.986 1.00 0.00 C ATOM 412 SD MET A 29 -0.962 7.520 10.490 1.00 0.00 S ATOM 413 CE MET A 29 -1.367 9.110 11.260 1.00 0.00 C ATOM 0 H MET A 29 0.291 10.283 7.869 1.00 0.00 H new ATOM 0 HA MET A 29 2.919 9.663 8.284 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.907 7.701 9.592 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.285 9.285 10.011 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.677 8.835 8.508 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.072 7.205 8.288 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.069 9.093 12.308 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.835 9.910 10.744 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.441 9.285 11.191 1.00 0.00 H new ATOM 423 N TYR A 30 1.712 7.784 5.971 1.00 0.00 N ATOM 424 CA TYR A 30 1.987 6.678 5.060 1.00 0.00 C ATOM 425 C TYR A 30 2.551 7.148 3.714 1.00 0.00 C ATOM 426 O TYR A 30 2.776 6.317 2.845 1.00 0.00 O ATOM 427 CB TYR A 30 0.720 5.823 4.937 1.00 0.00 C ATOM 428 CG TYR A 30 0.095 5.405 6.267 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.886 5.084 7.393 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.305 5.423 6.400 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.282 4.797 8.631 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.918 5.067 7.614 1.00 0.00 C ATOM 433 CZ TYR A 30 -1.126 4.752 8.737 1.00 0.00 C ATOM 434 OH TYR A 30 -1.728 4.502 9.933 1.00 0.00 O ATOM 0 H TYR A 30 0.925 8.368 5.688 1.00 0.00 H new ATOM 0 HA TYR A 30 2.782 6.055 5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.021 6.378 4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.959 4.926 4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.962 5.059 7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.917 5.714 5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.895 4.611 9.501 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.995 5.035 7.686 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.699 5.308 10.489 1.00 0.00 H new ATOM 444 N LEU A 31 2.806 8.449 3.521 1.00 0.00 N ATOM 445 CA LEU A 31 3.469 8.969 2.318 1.00 0.00 C ATOM 446 C LEU A 31 4.991 8.838 2.415 1.00 0.00 C ATOM 447 O LEU A 31 5.678 8.901 1.390 1.00 0.00 O ATOM 448 CB LEU A 31 3.118 10.458 2.112 1.00 0.00 C ATOM 449 CG LEU A 31 1.778 10.749 1.411 1.00 0.00 C ATOM 450 CD1 LEU A 31 1.824 10.426 -0.083 1.00 0.00 C ATOM 451 CD2 LEU A 31 0.580 10.040 2.039 1.00 0.00 C ATOM 0 H LEU A 31 2.558 9.172 4.196 1.00 0.00 H new ATOM 0 HA LEU A 31 3.114 8.378 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.108 10.946 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.916 10.921 1.532 1.00 0.00 H new ATOM 0 HG LEU A 31 1.634 11.821 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.856 10.648 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.594 11.030 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.054 9.369 -0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.325 10.297 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.734 8.962 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.474 10.355 3.077 1.00 0.00 H new ATOM 463 N THR A 32 5.526 8.753 3.634 1.00 0.00 N ATOM 464 CA THR A 32 6.959 8.675 3.897 1.00 0.00 C ATOM 465 C THR A 32 7.544 7.348 3.369 1.00 0.00 C ATOM 466 O THR A 32 6.905 6.294 3.472 1.00 0.00 O ATOM 467 CB THR A 32 7.232 8.917 5.398 1.00 0.00 C ATOM 468 OG1 THR A 32 8.582 8.723 5.763 1.00 0.00 O ATOM 469 CG2 THR A 32 6.405 8.019 6.309 1.00 0.00 C ATOM 0 H THR A 32 4.960 8.736 4.483 1.00 0.00 H new ATOM 0 HA THR A 32 7.477 9.464 3.351 1.00 0.00 H new ATOM 0 HB THR A 32 6.952 9.962 5.534 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.689 8.893 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.643 8.238 7.350 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.345 8.200 6.133 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.635 6.975 6.096 1.00 0.00 H new ATOM 477 N PRO A 33 8.797 7.360 2.876 1.00 0.00 N ATOM 478 CA PRO A 33 9.488 6.190 2.345 1.00 0.00 C ATOM 479 C PRO A 33 9.768 5.098 3.381 1.00 0.00 C ATOM 480 O PRO A 33 10.209 4.017 2.994 1.00 0.00 O ATOM 481 CB PRO A 33 10.790 6.718 1.738 1.00 0.00 C ATOM 482 CG PRO A 33 11.054 8.007 2.507 1.00 0.00 C ATOM 483 CD PRO A 33 9.649 8.530 2.755 1.00 0.00 C ATOM 0 HA PRO A 33 8.850 5.696 1.612 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.606 6.005 1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.686 6.904 0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.589 7.822 3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.653 8.710 1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.613 9.134 3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.320 9.168 1.934 1.00 0.00 H new ATOM 491 N GLU A 34 9.499 5.342 4.667 1.00 0.00 N ATOM 492 CA GLU A 34 9.616 4.353 5.739 1.00 0.00 C ATOM 493 C GLU A 34 8.860 3.071 5.386 1.00 0.00 C ATOM 494 O GLU A 34 9.384 1.975 5.592 1.00 0.00 O ATOM 495 CB GLU A 34 9.086 4.946 7.063 1.00 0.00 C ATOM 496 CG GLU A 34 10.195 5.498 7.971 1.00 0.00 C ATOM 497 CD GLU A 34 11.096 4.433 8.610 1.00 0.00 C ATOM 498 OE1 GLU A 34 10.747 3.234 8.598 1.00 0.00 O ATOM 499 OE2 GLU A 34 12.180 4.808 9.121 1.00 0.00 O ATOM 0 H GLU A 34 9.187 6.255 4.998 1.00 0.00 H new ATOM 0 HA GLU A 34 10.669 4.099 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.380 5.745 6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.535 4.176 7.602 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.817 6.177 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.735 6.088 8.764 1.00 0.00 H new ATOM 506 N TYR A 35 7.656 3.199 4.824 1.00 0.00 N ATOM 507 CA TYR A 35 6.758 2.073 4.574 1.00 0.00 C ATOM 508 C TYR A 35 6.803 1.609 3.114 1.00 0.00 C ATOM 509 O TYR A 35 6.285 0.539 2.803 1.00 0.00 O ATOM 510 CB TYR A 35 5.337 2.485 4.987 1.00 0.00 C ATOM 511 CG TYR A 35 5.257 3.003 6.408 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.191 2.103 7.489 1.00 0.00 C ATOM 513 CD2 TYR A 35 5.340 4.385 6.650 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.208 2.585 8.810 1.00 0.00 C ATOM 515 CE2 TYR A 35 5.385 4.867 7.967 1.00 0.00 C ATOM 516 CZ TYR A 35 5.307 3.973 9.053 1.00 0.00 C ATOM 517 OH TYR A 35 5.327 4.453 10.324 1.00 0.00 O ATOM 0 H TYR A 35 7.275 4.097 4.527 1.00 0.00 H new ATOM 0 HA TYR A 35 7.084 1.220 5.169 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.976 3.255 4.305 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.672 1.628 4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.127 1.041 7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.369 5.077 5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.145 1.894 9.638 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.480 5.927 8.149 1.00 0.00 H new ATOM 0 HH TYR A 35 5.400 5.430 10.304 1.00 0.00 H new ATOM 527 N ASN A 36 7.419 2.399 2.231 1.00 0.00 N ATOM 528 CA ASN A 36 7.438 2.273 0.767 1.00 0.00 C ATOM 529 C ASN A 36 8.060 0.952 0.308 1.00 0.00 C ATOM 530 O ASN A 36 9.287 0.812 0.262 1.00 0.00 O ATOM 531 CB ASN A 36 8.158 3.479 0.136 1.00 0.00 C ATOM 532 CG ASN A 36 8.153 3.466 -1.395 1.00 0.00 C ATOM 533 OD1 ASN A 36 7.815 2.485 -2.047 1.00 0.00 O ATOM 534 ND2 ASN A 36 8.526 4.571 -2.022 1.00 0.00 N ATOM 0 H ASN A 36 7.960 3.206 2.542 1.00 0.00 H new ATOM 0 HA ASN A 36 6.404 2.266 0.423 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.684 4.397 0.484 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.190 3.500 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.531 4.602 -3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.809 5.391 -1.485 1.00 0.00 H new ATOM 541 N ILE A 37 7.211 -0.017 -0.037 1.00 0.00 N ATOM 542 CA ILE A 37 7.566 -1.298 -0.628 1.00 0.00 C ATOM 543 C ILE A 37 7.841 -1.030 -2.103 1.00 0.00 C ATOM 544 O ILE A 37 7.025 -1.300 -2.989 1.00 0.00 O ATOM 545 CB ILE A 37 6.468 -2.368 -0.422 1.00 0.00 C ATOM 546 CG1 ILE A 37 6.012 -2.449 1.047 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.977 -3.754 -0.876 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.734 -3.254 1.184 1.00 0.00 C ATOM 0 H ILE A 37 6.205 0.081 0.098 1.00 0.00 H new ATOM 0 HA ILE A 37 8.447 -1.714 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 37 5.612 -2.071 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.798 -2.905 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.854 -1.443 1.437 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.194 -4.497 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.242 -3.716 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.855 -4.029 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.439 -3.292 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.943 -2.782 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.901 -4.267 0.817 1.00 0.00 H new ATOM 560 N LYS A 38 9.032 -0.514 -2.382 1.00 0.00 N ATOM 561 CA LYS A 38 9.504 -0.402 -3.762 1.00 0.00 C ATOM 562 C LYS A 38 9.631 -1.798 -4.376 1.00 0.00 C ATOM 563 O LYS A 38 9.446 -1.942 -5.584 1.00 0.00 O ATOM 564 CB LYS A 38 10.823 0.381 -3.849 1.00 0.00 C ATOM 565 CG LYS A 38 10.651 1.841 -3.396 1.00 0.00 C ATOM 566 CD LYS A 38 11.945 2.638 -3.573 1.00 0.00 C ATOM 567 CE LYS A 38 11.823 4.062 -3.018 1.00 0.00 C ATOM 568 NZ LYS A 38 11.334 5.046 -4.010 1.00 0.00 N ATOM 0 H LYS A 38 9.686 -0.168 -1.680 1.00 0.00 H new ATOM 0 HA LYS A 38 8.772 0.165 -4.337 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.576 -0.106 -3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.192 0.360 -4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.852 2.310 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.348 1.865 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.761 2.121 -3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.202 2.682 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.146 4.053 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.797 4.384 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.276 5.985 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.991 5.083 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.391 4.762 -4.345 1.00 0.00 H new ATOM 582 N GLN A 39 9.906 -2.825 -3.566 1.00 0.00 N ATOM 583 CA GLN A 39 10.050 -4.203 -4.012 1.00 0.00 C ATOM 584 C GLN A 39 8.690 -4.846 -4.310 1.00 0.00 C ATOM 585 O GLN A 39 8.203 -5.649 -3.515 1.00 0.00 O ATOM 586 CB GLN A 39 10.834 -5.032 -2.971 1.00 0.00 C ATOM 587 CG GLN A 39 12.235 -4.496 -2.647 1.00 0.00 C ATOM 588 CD GLN A 39 13.068 -4.233 -3.898 1.00 0.00 C ATOM 589 OE1 GLN A 39 13.095 -5.031 -4.831 1.00 0.00 O ATOM 590 NE2 GLN A 39 13.726 -3.091 -3.973 1.00 0.00 N ATOM 0 H GLN A 39 10.036 -2.713 -2.561 1.00 0.00 H new ATOM 0 HA GLN A 39 10.616 -4.192 -4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.254 -5.074 -2.049 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.927 -6.055 -3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.143 -3.572 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.756 -5.213 -2.012 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.698 -2.434 -3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.262 -2.866 -4.811 1.00 0.00 H new ATOM 599 N TRP A 40 8.068 -4.523 -5.449 1.00 0.00 N ATOM 600 CA TRP A 40 6.904 -5.272 -5.925 1.00 0.00 C ATOM 601 C TRP A 40 7.300 -6.306 -6.992 1.00 0.00 C ATOM 602 O TRP A 40 6.586 -7.289 -7.177 1.00 0.00 O ATOM 603 CB TRP A 40 5.773 -4.326 -6.365 1.00 0.00 C ATOM 604 CG TRP A 40 6.070 -3.528 -7.593 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.642 -2.305 -7.638 1.00 0.00 C ATOM 606 CD2 TRP A 40 5.886 -3.941 -8.979 1.00 0.00 C ATOM 607 NE1 TRP A 40 6.816 -1.936 -8.957 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.374 -2.906 -9.827 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.368 -5.092 -9.604 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.356 -3.005 -11.227 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.397 -5.228 -11.007 1.00 0.00 C ATOM 612 CH2 TRP A 40 5.898 -4.193 -11.817 1.00 0.00 C ATOM 0 H TRP A 40 8.350 -3.752 -6.054 1.00 0.00 H new ATOM 0 HA TRP A 40 6.500 -5.849 -5.093 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.872 -4.915 -6.540 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.552 -3.640 -5.547 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.919 -1.711 -6.780 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.224 -1.049 -9.252 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.943 -5.881 -9.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.689 -2.181 -11.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.031 -6.135 -11.464 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.930 -4.312 -12.890 1.00 0.00 H new ATOM 623 N GLN A 41 8.461 -6.178 -7.640 1.00 0.00 N ATOM 624 CA GLN A 41 8.918 -7.117 -8.670 1.00 0.00 C ATOM 625 C GLN A 41 9.358 -8.477 -8.092 1.00 0.00 C ATOM 626 O GLN A 41 9.772 -9.357 -8.846 1.00 0.00 O ATOM 627 CB GLN A 41 10.056 -6.463 -9.481 1.00 0.00 C ATOM 628 CG GLN A 41 9.760 -6.356 -10.980 1.00 0.00 C ATOM 629 CD GLN A 41 9.660 -7.721 -11.657 1.00 0.00 C ATOM 630 OE1 GLN A 41 8.564 -8.193 -11.948 1.00 0.00 O ATOM 631 NE2 GLN A 41 10.782 -8.359 -11.951 1.00 0.00 N ATOM 0 H GLN A 41 9.115 -5.415 -7.464 1.00 0.00 H new ATOM 0 HA GLN A 41 8.074 -7.333 -9.325 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.246 -5.465 -9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.969 -7.041 -9.340 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.826 -5.814 -11.124 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.545 -5.772 -11.461 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.682 -7.950 -11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.746 -9.260 -12.428 1.00 0.00 H new ATOM 640 N GLN A 42 9.301 -8.655 -6.769 1.00 0.00 N ATOM 641 CA GLN A 42 9.530 -9.908 -6.068 1.00 0.00 C ATOM 642 C GLN A 42 8.384 -10.236 -5.097 1.00 0.00 C ATOM 643 O GLN A 42 8.515 -11.109 -4.237 1.00 0.00 O ATOM 644 CB GLN A 42 10.869 -9.810 -5.335 1.00 0.00 C ATOM 645 CG GLN A 42 12.066 -9.805 -6.280 1.00 0.00 C ATOM 646 CD GLN A 42 13.328 -10.286 -5.575 1.00 0.00 C ATOM 647 OE1 GLN A 42 13.792 -9.681 -4.604 1.00 0.00 O ATOM 648 NE2 GLN A 42 13.896 -11.395 -6.020 1.00 0.00 N ATOM 0 H GLN A 42 9.083 -7.888 -6.133 1.00 0.00 H new ATOM 0 HA GLN A 42 9.562 -10.725 -6.789 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.883 -8.900 -4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.961 -10.648 -4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.859 -10.446 -7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.224 -8.798 -6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.501 -11.884 -6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.729 -11.761 -5.560 1.00 0.00 H new ATOM 657 N ARG A 43 7.257 -9.530 -5.188 1.00 0.00 N ATOM 658 CA ARG A 43 6.090 -9.727 -4.334 1.00 0.00 C ATOM 659 C ARG A 43 4.902 -10.074 -5.232 1.00 0.00 C ATOM 660 O ARG A 43 5.016 -10.035 -6.456 1.00 0.00 O ATOM 661 CB ARG A 43 5.876 -8.472 -3.468 1.00 0.00 C ATOM 662 CG ARG A 43 6.845 -8.285 -2.284 1.00 0.00 C ATOM 663 CD ARG A 43 6.759 -9.343 -1.175 1.00 0.00 C ATOM 664 NE ARG A 43 5.385 -9.794 -0.915 1.00 0.00 N ATOM 665 CZ ARG A 43 4.348 -9.082 -0.466 1.00 0.00 C ATOM 666 NH1 ARG A 43 4.516 -7.848 -0.016 1.00 0.00 N ATOM 667 NH2 ARG A 43 3.137 -9.624 -0.519 1.00 0.00 N ATOM 0 H ARG A 43 7.129 -8.787 -5.875 1.00 0.00 H new ATOM 0 HA ARG A 43 6.223 -10.554 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.950 -7.596 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.859 -8.496 -3.077 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.864 -8.274 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.662 -7.306 -1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.371 -10.202 -1.452 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.181 -8.934 -0.257 1.00 0.00 H new ATOM 0 HE ARG A 43 5.199 -10.779 -1.102 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.446 -7.430 -0.009 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.715 -7.316 0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.015 -10.564 -0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.329 -9.101 -0.182 1.00 0.00 H new ATOM 681 N ASN A 44 3.763 -10.422 -4.637 1.00 0.00 N ATOM 682 CA ASN A 44 2.618 -10.978 -5.365 1.00 0.00 C ATOM 683 C ASN A 44 1.715 -9.885 -5.937 1.00 0.00 C ATOM 684 O ASN A 44 0.821 -10.186 -6.728 1.00 0.00 O ATOM 685 CB ASN A 44 1.795 -11.886 -4.431 1.00 0.00 C ATOM 686 CG ASN A 44 2.336 -13.305 -4.381 1.00 0.00 C ATOM 687 OD1 ASN A 44 3.536 -13.493 -4.210 1.00 0.00 O ATOM 688 ND2 ASN A 44 1.484 -14.303 -4.494 1.00 0.00 N ATOM 0 H ASN A 44 3.605 -10.327 -3.634 1.00 0.00 H new ATOM 0 HA ASN A 44 3.012 -11.557 -6.200 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.795 -11.464 -3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.759 -11.906 -4.768 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.816 -15.266 -4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.492 -14.113 -4.636 1.00 0.00 H new ATOM 695 N LEU A 45 1.902 -8.634 -5.510 1.00 0.00 N ATOM 696 CA LEU A 45 1.057 -7.499 -5.854 1.00 0.00 C ATOM 697 C LEU A 45 1.256 -7.128 -7.328 1.00 0.00 C ATOM 698 O LEU A 45 2.364 -7.288 -7.855 1.00 0.00 O ATOM 699 CB LEU A 45 1.411 -6.255 -5.006 1.00 0.00 C ATOM 700 CG LEU A 45 1.085 -6.284 -3.500 1.00 0.00 C ATOM 701 CD1 LEU A 45 -0.406 -6.420 -3.234 1.00 0.00 C ATOM 702 CD2 LEU A 45 1.883 -7.331 -2.720 1.00 0.00 C ATOM 0 H LEU A 45 2.674 -8.380 -4.894 1.00 0.00 H new ATOM 0 HA LEU A 45 0.025 -7.792 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.481 -6.073 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.897 -5.398 -5.442 1.00 0.00 H new ATOM 0 HG LEU A 45 1.404 -5.312 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.584 -6.436 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.933 -5.575 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.771 -7.347 -3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.601 -7.294 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.669 -8.323 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.949 -7.123 -2.818 1.00 0.00 H new ATOM 714 N PRO A 46 0.237 -6.537 -7.968 1.00 0.00 N ATOM 715 CA PRO A 46 0.360 -5.952 -9.295 1.00 0.00 C ATOM 716 C PRO A 46 1.285 -4.729 -9.290 1.00 0.00 C ATOM 717 O PRO A 46 1.607 -4.163 -8.241 1.00 0.00 O ATOM 718 CB PRO A 46 -1.061 -5.568 -9.713 1.00 0.00 C ATOM 719 CG PRO A 46 -1.807 -5.428 -8.396 1.00 0.00 C ATOM 720 CD PRO A 46 -1.103 -6.368 -7.438 1.00 0.00 C ATOM 0 HA PRO A 46 0.807 -6.657 -9.995 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.073 -4.637 -10.279 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.511 -6.332 -10.347 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.776 -4.401 -8.033 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.858 -5.695 -8.508 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.076 -5.953 -6.431 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.623 -7.324 -7.375 1.00 0.00 H new ATOM 728 N ALA A 47 1.671 -4.288 -10.485 1.00 0.00 N ATOM 729 CA ALA A 47 2.472 -3.084 -10.662 1.00 0.00 C ATOM 730 C ALA A 47 1.690 -1.860 -10.170 1.00 0.00 C ATOM 731 O ALA A 47 0.482 -1.810 -10.416 1.00 0.00 O ATOM 732 CB ALA A 47 2.802 -2.905 -12.145 1.00 0.00 C ATOM 0 H ALA A 47 1.435 -4.758 -11.359 1.00 0.00 H new ATOM 0 HA ALA A 47 3.393 -3.181 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.401 -2.004 -12.278 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.363 -3.770 -12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.877 -2.813 -12.715 1.00 0.00 H new ATOM 738 N PRO A 48 2.343 -0.853 -9.566 1.00 0.00 N ATOM 739 CA PRO A 48 1.699 0.389 -9.166 1.00 0.00 C ATOM 740 C PRO A 48 1.339 1.239 -10.395 1.00 0.00 C ATOM 741 O PRO A 48 1.690 0.912 -11.538 1.00 0.00 O ATOM 742 CB PRO A 48 2.708 1.073 -8.236 1.00 0.00 C ATOM 743 CG PRO A 48 4.063 0.583 -8.729 1.00 0.00 C ATOM 744 CD PRO A 48 3.759 -0.824 -9.239 1.00 0.00 C ATOM 0 HA PRO A 48 0.750 0.230 -8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.632 2.159 -8.295 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.540 0.798 -7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.459 1.221 -9.519 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.803 0.570 -7.928 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.363 -1.057 -10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.996 -1.570 -8.481 1.00 0.00 H new ATOM 752 N ASP A 49 0.622 2.337 -10.165 1.00 0.00 N ATOM 753 CA ASP A 49 0.337 3.353 -11.175 1.00 0.00 C ATOM 754 C ASP A 49 1.516 4.320 -11.295 1.00 0.00 C ATOM 755 O ASP A 49 2.494 4.251 -10.548 1.00 0.00 O ATOM 756 CB ASP A 49 -0.976 4.102 -10.860 1.00 0.00 C ATOM 757 CG ASP A 49 -2.058 3.742 -11.869 1.00 0.00 C ATOM 758 OD1 ASP A 49 -1.870 4.063 -13.066 1.00 0.00 O ATOM 759 OD2 ASP A 49 -3.044 3.065 -11.495 1.00 0.00 O ATOM 0 H ASP A 49 0.215 2.549 -9.254 1.00 0.00 H new ATOM 0 HA ASP A 49 0.201 2.857 -12.136 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.312 3.850 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.800 5.178 -10.877 1.00 0.00 H new ATOM 764 N ALA A 50 1.415 5.241 -12.249 1.00 0.00 N ATOM 765 CA ALA A 50 2.426 6.233 -12.578 1.00 0.00 C ATOM 766 C ALA A 50 2.700 7.167 -11.394 1.00 0.00 C ATOM 767 O ALA A 50 1.919 8.090 -11.152 1.00 0.00 O ATOM 768 CB ALA A 50 1.886 7.014 -13.774 1.00 0.00 C ATOM 0 H ALA A 50 0.587 5.317 -12.839 1.00 0.00 H new ATOM 0 HA ALA A 50 3.376 5.754 -12.813 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.608 7.777 -14.066 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.720 6.333 -14.609 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.944 7.491 -13.502 1.00 0.00 H new ATOM 774 N GLY A 51 3.766 6.948 -10.628 1.00 0.00 N ATOM 775 CA GLY A 51 4.031 7.727 -9.428 1.00 0.00 C ATOM 776 C GLY A 51 3.060 7.360 -8.311 1.00 0.00 C ATOM 777 O GLY A 51 2.450 8.244 -7.700 1.00 0.00 O ATOM 0 H GLY A 51 4.464 6.230 -10.822 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.055 7.553 -9.096 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.945 8.790 -9.654 1.00 0.00 H new ATOM 781 N SER A 52 2.903 6.067 -8.045 1.00 0.00 N ATOM 782 CA SER A 52 2.387 5.556 -6.786 1.00 0.00 C ATOM 783 C SER A 52 3.315 4.443 -6.316 1.00 0.00 C ATOM 784 O SER A 52 4.213 4.029 -7.057 1.00 0.00 O ATOM 785 CB SER A 52 0.930 5.095 -6.932 1.00 0.00 C ATOM 786 OG SER A 52 0.722 4.323 -8.081 1.00 0.00 O ATOM 0 H SER A 52 3.136 5.333 -8.714 1.00 0.00 H new ATOM 0 HA SER A 52 2.370 6.342 -6.031 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.646 4.516 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.278 5.968 -6.962 1.00 0.00 H new ATOM 0 HG SER A 52 0.572 4.913 -8.849 1.00 0.00 H new ATOM 792 N HIS A 53 3.120 3.966 -5.090 1.00 0.00 N ATOM 793 CA HIS A 53 3.874 2.847 -4.570 1.00 0.00 C ATOM 794 C HIS A 53 3.083 2.101 -3.501 1.00 0.00 C ATOM 795 O HIS A 53 2.191 2.665 -2.860 1.00 0.00 O ATOM 796 CB HIS A 53 5.209 3.343 -4.022 1.00 0.00 C ATOM 797 CG HIS A 53 5.119 4.315 -2.867 1.00 0.00 C ATOM 798 ND1 HIS A 53 5.203 5.694 -2.911 1.00 0.00 N ATOM 799 CD2 HIS A 53 5.052 3.957 -1.551 1.00 0.00 C ATOM 800 CE1 HIS A 53 5.204 6.137 -1.643 1.00 0.00 C ATOM 801 NE2 HIS A 53 5.145 5.114 -0.780 1.00 0.00 N ATOM 0 H HIS A 53 2.436 4.348 -4.437 1.00 0.00 H new ATOM 0 HA HIS A 53 4.065 2.143 -5.380 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.794 2.480 -3.703 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.760 3.820 -4.833 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.255 6.269 -3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.945 2.951 -1.173 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.247 7.178 -1.358 1.00 0.00 H new ATOM 809 N TRP A 54 3.403 0.818 -3.338 1.00 0.00 N ATOM 810 CA TRP A 54 2.823 -0.025 -2.311 1.00 0.00 C ATOM 811 C TRP A 54 3.445 0.321 -0.952 1.00 0.00 C ATOM 812 O TRP A 54 4.648 0.565 -0.886 1.00 0.00 O ATOM 813 CB TRP A 54 3.033 -1.501 -2.687 1.00 0.00 C ATOM 814 CG TRP A 54 2.227 -1.972 -3.866 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.658 -2.123 -5.144 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.807 -2.303 -3.890 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.601 -2.532 -5.942 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.424 -2.564 -5.235 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.205 -2.375 -2.912 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.903 -2.803 -5.607 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.545 -2.627 -3.264 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.895 -2.813 -4.615 1.00 0.00 C ATOM 0 H TRP A 54 4.082 0.335 -3.927 1.00 0.00 H new ATOM 0 HA TRP A 54 1.750 0.149 -2.235 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.090 -1.660 -2.900 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.785 -2.120 -1.825 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.668 -1.951 -5.486 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.686 -2.778 -6.928 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.052 -2.234 -1.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.160 -2.977 -6.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.304 -2.678 -2.498 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.929 -2.964 -4.888 1.00 0.00 H new ATOM 833 N THR A 55 2.677 0.285 0.135 1.00 0.00 N ATOM 834 CA THR A 55 3.159 0.357 1.509 1.00 0.00 C ATOM 835 C THR A 55 2.543 -0.791 2.315 1.00 0.00 C ATOM 836 O THR A 55 1.670 -1.514 1.817 1.00 0.00 O ATOM 837 CB THR A 55 2.885 1.732 2.158 1.00 0.00 C ATOM 838 OG1 THR A 55 1.537 1.906 2.521 1.00 0.00 O ATOM 839 CG2 THR A 55 3.284 2.935 1.312 1.00 0.00 C ATOM 0 H THR A 55 1.662 0.202 0.078 1.00 0.00 H new ATOM 0 HA THR A 55 4.244 0.248 1.505 1.00 0.00 H new ATOM 0 HB THR A 55 3.524 1.704 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.419 2.790 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.053 3.853 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.353 2.896 1.105 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.732 2.918 0.372 1.00 0.00 H new ATOM 847 N TYR A 56 2.994 -0.963 3.561 1.00 0.00 N ATOM 848 CA TYR A 56 2.471 -1.954 4.497 1.00 0.00 C ATOM 849 C TYR A 56 1.698 -1.209 5.587 1.00 0.00 C ATOM 850 O TYR A 56 2.315 -0.418 6.313 1.00 0.00 O ATOM 851 CB TYR A 56 3.662 -2.737 5.072 1.00 0.00 C ATOM 852 CG TYR A 56 3.456 -4.191 5.452 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.184 -4.733 5.712 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.595 -5.011 5.556 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.060 -6.081 6.096 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.480 -6.355 5.953 1.00 0.00 C ATOM 857 CZ TYR A 56 3.205 -6.894 6.239 1.00 0.00 C ATOM 858 OH TYR A 56 3.067 -8.189 6.633 1.00 0.00 O ATOM 0 H TYR A 56 3.751 -0.402 3.953 1.00 0.00 H new ATOM 0 HA TYR A 56 1.794 -2.661 4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.469 -2.697 4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.009 -2.208 5.960 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.303 -4.115 5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.569 -4.603 5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.081 -6.497 6.283 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.362 -6.973 6.039 1.00 0.00 H new ATOM 0 HH TYR A 56 3.950 -8.612 6.682 1.00 0.00 H new ATOM 868 N MET A 57 0.377 -1.387 5.691 1.00 0.00 N ATOM 869 CA MET A 57 -0.442 -0.797 6.740 1.00 0.00 C ATOM 870 C MET A 57 -0.504 -1.740 7.952 1.00 0.00 C ATOM 871 O MET A 57 0.383 -2.577 8.126 1.00 0.00 O ATOM 872 CB MET A 57 -1.838 -0.566 6.158 1.00 0.00 C ATOM 873 CG MET A 57 -2.576 0.573 6.850 1.00 0.00 C ATOM 874 SD MET A 57 -2.831 2.031 5.832 1.00 0.00 S ATOM 875 CE MET A 57 -1.118 2.426 5.406 1.00 0.00 C ATOM 0 H MET A 57 -0.157 -1.956 5.034 1.00 0.00 H new ATOM 0 HA MET A 57 -0.017 0.148 7.080 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.753 -0.346 5.094 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.422 -1.482 6.249 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.546 0.208 7.187 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.018 0.862 7.740 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.101 3.246 4.688 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.578 2.721 6.306 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.641 1.550 4.967 1.00 0.00 H new ATOM 885 N GLY A 58 -1.583 -1.625 8.740 1.00 0.00 N ATOM 886 CA GLY A 58 -2.093 -2.435 9.849 1.00 0.00 C ATOM 887 C GLY A 58 -2.143 -3.953 9.662 1.00 0.00 C ATOM 888 O GLY A 58 -2.704 -4.654 10.503 1.00 0.00 O ATOM 0 H GLY A 58 -2.212 -0.837 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.480 -2.226 10.726 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.102 -2.093 10.077 1.00 0.00 H new ATOM 892 N GLY A 59 -1.579 -4.451 8.571 1.00 0.00 N ATOM 893 CA GLY A 59 -1.494 -5.838 8.190 1.00 0.00 C ATOM 894 C GLY A 59 -1.763 -6.009 6.705 1.00 0.00 C ATOM 895 O GLY A 59 -1.344 -7.008 6.133 1.00 0.00 O ATOM 0 H GLY A 59 -1.138 -3.842 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.504 -6.226 8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.214 -6.422 8.764 1.00 0.00 H new ATOM 899 N ASN A 60 -2.403 -5.022 6.076 1.00 0.00 N ATOM 900 CA ASN A 60 -2.732 -5.001 4.660 1.00 0.00 C ATOM 901 C ASN A 60 -1.630 -4.306 3.864 1.00 0.00 C ATOM 902 O ASN A 60 -0.800 -3.590 4.428 1.00 0.00 O ATOM 903 CB ASN A 60 -4.094 -4.315 4.478 1.00 0.00 C ATOM 904 CG ASN A 60 -4.155 -2.882 4.955 1.00 0.00 C ATOM 905 OD1 ASN A 60 -3.625 -2.013 4.293 1.00 0.00 O ATOM 906 ND2 ASN A 60 -4.740 -2.593 6.111 1.00 0.00 N ATOM 0 H ASN A 60 -2.717 -4.183 6.564 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.802 -6.019 4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.360 -4.342 3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.849 -4.892 5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.748 -1.632 6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.182 -3.332 6.658 1.00 0.00 H new ATOM 913 N TYR A 61 -1.621 -4.519 2.551 1.00 0.00 N ATOM 914 CA TYR A 61 -0.732 -3.876 1.602 1.00 0.00 C ATOM 915 C TYR A 61 -1.564 -2.912 0.779 1.00 0.00 C ATOM 916 O TYR A 61 -2.547 -3.306 0.149 1.00 0.00 O ATOM 917 CB TYR A 61 -0.103 -4.903 0.657 1.00 0.00 C ATOM 918 CG TYR A 61 0.887 -5.828 1.319 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.109 -5.320 1.788 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.586 -7.189 1.462 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.053 -6.172 2.385 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.520 -8.049 2.061 1.00 0.00 C ATOM 923 CZ TYR A 61 2.750 -7.543 2.545 1.00 0.00 C ATOM 924 OH TYR A 61 3.659 -8.389 3.097 1.00 0.00 O ATOM 0 H TYR A 61 -2.263 -5.174 2.105 1.00 0.00 H new ATOM 0 HA TYR A 61 0.067 -3.367 2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.896 -5.500 0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.397 -4.375 -0.155 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.325 -4.266 1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.360 -7.575 1.113 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.003 -5.782 2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.299 -9.102 2.153 1.00 0.00 H new ATOM 0 HH TYR A 61 3.787 -8.161 4.041 1.00 0.00 H new ATOM 934 N VAL A 62 -1.166 -1.654 0.724 1.00 0.00 N ATOM 935 CA VAL A 62 -1.984 -0.609 0.128 1.00 0.00 C ATOM 936 C VAL A 62 -1.135 0.155 -0.858 1.00 0.00 C ATOM 937 O VAL A 62 0.086 0.146 -0.779 1.00 0.00 O ATOM 938 CB VAL A 62 -2.576 0.288 1.223 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.786 -0.373 1.851 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.577 0.590 2.321 1.00 0.00 C ATOM 0 H VAL A 62 -0.271 -1.327 1.089 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.830 -1.036 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.857 1.223 0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.194 0.276 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.544 -0.546 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.492 -1.325 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.043 1.228 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.255 -0.342 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.713 1.102 1.896 1.00 0.00 H new ATOM 950 N LEU A 63 -1.796 0.785 -1.811 1.00 0.00 N ATOM 951 CA LEU A 63 -1.174 1.497 -2.927 1.00 0.00 C ATOM 952 C LEU A 63 -1.567 2.956 -2.812 1.00 0.00 C ATOM 953 O LEU A 63 -2.766 3.239 -2.734 1.00 0.00 O ATOM 954 CB LEU A 63 -1.619 0.889 -4.270 1.00 0.00 C ATOM 955 CG LEU A 63 -1.077 1.623 -5.511 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.450 1.626 -5.589 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.645 1.009 -6.793 1.00 0.00 C ATOM 0 H LEU A 63 -2.815 0.820 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.088 1.406 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.297 -0.151 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.708 0.887 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.403 2.658 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.767 2.158 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.858 2.122 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.814 0.599 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.250 1.542 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.358 -0.041 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.732 1.088 -6.784 1.00 0.00 H new ATOM 969 N ILE A 64 -0.583 3.857 -2.787 1.00 0.00 N ATOM 970 CA ILE A 64 -0.781 5.287 -2.588 1.00 0.00 C ATOM 971 C ILE A 64 -0.034 6.091 -3.647 1.00 0.00 C ATOM 972 O ILE A 64 1.111 5.792 -3.984 1.00 0.00 O ATOM 973 CB ILE A 64 -0.346 5.709 -1.172 1.00 0.00 C ATOM 974 CG1 ILE A 64 1.121 5.370 -0.827 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.280 5.086 -0.131 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.863 6.599 -0.312 1.00 0.00 C ATOM 0 H ILE A 64 0.397 3.602 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.845 5.498 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.415 6.797 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.148 4.583 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.625 4.981 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.966 5.389 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.301 5.425 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.240 4.000 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.893 6.330 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.856 7.375 -1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.371 6.971 0.587 1.00 0.00 H new ATOM 988 N THR A 65 -0.687 7.113 -4.189 1.00 0.00 N ATOM 989 CA THR A 65 -0.075 8.076 -5.089 1.00 0.00 C ATOM 990 C THR A 65 0.927 8.927 -4.323 1.00 0.00 C ATOM 991 O THR A 65 0.608 9.478 -3.278 1.00 0.00 O ATOM 992 CB THR A 65 -1.154 8.933 -5.789 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.439 8.792 -5.218 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.276 8.531 -7.252 1.00 0.00 C ATOM 0 H THR A 65 -1.674 7.296 -4.010 1.00 0.00 H new ATOM 0 HA THR A 65 0.465 7.547 -5.874 1.00 0.00 H new ATOM 0 HB THR A 65 -0.826 9.966 -5.672 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.121 8.930 -5.908 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.039 9.142 -7.735 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.320 8.683 -7.752 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.557 7.480 -7.318 1.00 0.00 H new ATOM 1002 N ASP A 66 2.102 9.145 -4.898 1.00 0.00 N ATOM 1003 CA ASP A 66 3.082 10.095 -4.367 1.00 0.00 C ATOM 1004 C ASP A 66 2.575 11.546 -4.423 1.00 0.00 C ATOM 1005 O ASP A 66 3.231 12.460 -3.928 1.00 0.00 O ATOM 1006 CB ASP A 66 4.380 9.972 -5.177 1.00 0.00 C ATOM 1007 CG ASP A 66 5.464 9.213 -4.420 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.487 7.964 -4.495 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.359 9.874 -3.843 1.00 0.00 O ATOM 0 H ASP A 66 2.407 8.670 -5.747 1.00 0.00 H new ATOM 0 HA ASP A 66 3.255 9.852 -3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.172 9.462 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.745 10.968 -5.428 1.00 0.00 H new ATOM 1014 N THR A 67 1.416 11.790 -5.037 1.00 0.00 N ATOM 1015 CA THR A 67 0.992 13.076 -5.569 1.00 0.00 C ATOM 1016 C THR A 67 -0.478 13.348 -5.192 1.00 0.00 C ATOM 1017 O THR A 67 -1.142 14.222 -5.754 1.00 0.00 O ATOM 1018 CB THR A 67 1.311 13.028 -7.076 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.175 14.295 -7.668 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.523 11.965 -7.854 1.00 0.00 C ATOM 0 H THR A 67 0.719 11.059 -5.181 1.00 0.00 H new ATOM 0 HA THR A 67 1.518 13.930 -5.144 1.00 0.00 H new ATOM 0 HB THR A 67 2.355 12.721 -7.139 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.367 14.731 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.807 11.999 -8.906 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.746 10.978 -7.449 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.545 12.163 -7.760 1.00 0.00 H new ATOM 1028 N GLU A 68 -1.019 12.549 -4.265 1.00 0.00 N ATOM 1029 CA GLU A 68 -2.392 12.613 -3.777 1.00 0.00 C ATOM 1030 C GLU A 68 -2.557 11.689 -2.572 1.00 0.00 C ATOM 1031 O GLU A 68 -3.368 11.953 -1.693 1.00 0.00 O ATOM 1032 CB GLU A 68 -3.340 12.159 -4.899 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.818 12.416 -4.648 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.534 12.528 -6.004 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -5.979 11.492 -6.553 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.578 13.653 -6.561 1.00 0.00 O ATOM 0 H GLU A 68 -0.482 11.807 -3.817 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.627 13.635 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.052 12.664 -5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.197 11.091 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.248 11.606 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.950 13.333 -4.074 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.805 10.585 -2.537 1.00 0.00 N ATOM 1044 CA GLY A 69 -2.016 9.455 -1.651 1.00 0.00 C ATOM 1045 C GLY A 69 -3.463 8.985 -1.675 1.00 0.00 C ATOM 1046 O GLY A 69 -4.001 8.594 -0.638 1.00 0.00 O ATOM 0 H GLY A 69 -1.002 10.457 -3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.362 8.634 -1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.740 9.733 -0.634 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.114 9.050 -2.841 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.414 8.428 -2.994 1.00 0.00 C ATOM 1052 C LYS A 70 -5.214 6.934 -2.841 1.00 0.00 C ATOM 1053 O LYS A 70 -4.134 6.402 -3.102 1.00 0.00 O ATOM 1054 CB LYS A 70 -6.103 8.810 -4.315 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.589 9.100 -4.043 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.391 9.845 -5.116 1.00 0.00 C ATOM 1057 CE LYS A 70 -8.514 9.132 -6.465 1.00 0.00 C ATOM 1058 NZ LYS A 70 -7.245 9.136 -7.209 1.00 0.00 N ATOM 0 H LYS A 70 -3.762 9.521 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.098 8.791 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.622 9.686 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.004 8.001 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.085 8.147 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.652 9.677 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.394 10.031 -4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.927 10.818 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.836 8.103 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.286 9.617 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.431 9.337 -8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.617 9.868 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.788 8.206 -7.121 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.251 6.255 -2.395 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.233 4.841 -2.122 1.00 0.00 C ATOM 1074 C ILE A 71 -6.570 4.204 -3.456 1.00 0.00 C ATOM 1075 O ILE A 71 -7.742 4.011 -3.791 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.181 4.539 -0.942 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.605 5.270 0.298 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.306 3.024 -0.684 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.416 5.130 1.578 1.00 0.00 C ATOM 0 H ILE A 71 -7.155 6.689 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.282 4.431 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.188 4.890 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.599 4.895 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.512 6.330 0.062 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.982 2.852 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.701 2.535 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.324 2.613 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.925 5.679 2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.416 5.534 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.489 4.077 1.849 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.538 3.987 -4.276 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.685 3.411 -5.597 1.00 0.00 C ATOM 1093 C LEU A 72 -6.201 1.988 -5.447 1.00 0.00 C ATOM 1094 O LEU A 72 -7.157 1.604 -6.118 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.346 3.413 -6.359 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.684 4.779 -6.626 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -4.667 5.898 -6.984 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -2.712 5.184 -5.544 1.00 0.00 C ATOM 0 H LEU A 72 -4.573 4.211 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.390 4.010 -6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.639 2.800 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.504 2.922 -7.319 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.095 4.624 -7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.118 6.824 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.213 5.627 -7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.371 6.040 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.279 6.154 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.236 5.251 -4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.919 4.440 -5.471 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.535 1.180 -4.616 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.857 -0.229 -4.420 1.00 0.00 C ATOM 1112 C LYS A 73 -5.491 -0.638 -2.998 1.00 0.00 C ATOM 1113 O LYS A 73 -4.662 0.013 -2.356 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.086 -1.098 -5.431 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.444 -0.816 -6.903 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.655 -1.716 -7.854 1.00 0.00 C ATOM 1117 CE LYS A 73 -5.172 -3.154 -7.898 1.00 0.00 C ATOM 1118 NZ LYS A 73 -6.458 -3.281 -8.610 1.00 0.00 N ATOM 0 H LYS A 73 -4.745 1.496 -4.054 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.925 -0.377 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.017 -0.938 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.282 -2.148 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.512 -0.972 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.238 0.229 -7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.693 -1.293 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.608 -1.723 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.429 -3.787 -8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.288 -3.524 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.726 -4.284 -8.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.193 -2.755 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.363 -2.893 -9.570 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.055 -1.758 -2.551 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.766 -2.422 -1.287 1.00 0.00 C ATOM 1134 C VAL A 74 -5.642 -3.910 -1.629 1.00 0.00 C ATOM 1135 O VAL A 74 -6.392 -4.406 -2.477 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.913 -2.169 -0.274 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.575 -2.694 1.131 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -7.321 -0.689 -0.165 1.00 0.00 C ATOM 0 H VAL A 74 -6.764 -2.252 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.855 -2.047 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.759 -2.726 -0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.408 -2.494 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.396 -3.768 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.681 -2.193 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.128 -0.586 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.464 -0.098 0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.661 -0.333 -1.137 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.718 -4.618 -0.989 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.709 -6.072 -0.892 1.00 0.00 C ATOM 1150 C TYR A 75 -4.461 -6.438 0.565 1.00 0.00 C ATOM 1151 O TYR A 75 -3.830 -5.674 1.292 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.631 -6.681 -1.794 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.030 -6.748 -3.252 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -4.764 -7.842 -3.748 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.689 -5.692 -4.108 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.173 -7.865 -5.092 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.077 -5.711 -5.457 1.00 0.00 C ATOM 1158 CZ TYR A 75 -4.846 -6.789 -5.947 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.303 -6.764 -7.227 1.00 0.00 O ATOM 0 H TYR A 75 -3.931 -4.182 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.666 -6.472 -1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.718 -6.093 -1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.400 -7.686 -1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.013 -8.665 -3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.122 -4.856 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.737 -8.705 -5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.789 -4.906 -6.116 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.984 -5.952 -7.673 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.945 -7.589 1.011 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.689 -8.038 2.370 1.00 0.00 C ATOM 1171 C ASP A 76 -3.269 -8.606 2.504 1.00 0.00 C ATOM 1172 O ASP A 76 -2.659 -8.994 1.508 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.727 -9.090 2.775 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.647 -9.342 4.273 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -5.204 -8.445 5.029 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -5.997 -10.463 4.683 1.00 0.00 O ATOM 0 H ASP A 76 -5.515 -8.226 0.453 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.771 -7.181 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.727 -8.749 2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.550 -10.018 2.231 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.735 -8.699 3.722 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.404 -9.230 4.002 1.00 0.00 C ATOM 1183 C GLY A 77 -1.282 -10.716 3.706 1.00 0.00 C ATOM 1184 O GLY A 77 -0.180 -11.201 3.456 1.00 0.00 O ATOM 0 H GLY A 77 -3.230 -8.399 4.562 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.670 -8.686 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.161 -9.053 5.050 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.399 -11.444 3.683 1.00 0.00 N ATOM 1189 CA GLU A 78 -2.440 -12.878 3.415 1.00 0.00 C ATOM 1190 C GLU A 78 -1.869 -13.230 2.028 1.00 0.00 C ATOM 1191 O GLU A 78 -1.443 -14.366 1.800 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.884 -13.367 3.586 1.00 0.00 C ATOM 1193 CG GLU A 78 -4.332 -13.338 5.061 1.00 0.00 C ATOM 1194 CD GLU A 78 -5.840 -13.576 5.242 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -6.495 -14.109 4.314 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -6.370 -13.262 6.337 1.00 0.00 O ATOM 0 H GLU A 78 -3.320 -11.042 3.854 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.799 -13.393 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.551 -12.742 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.971 -14.383 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.782 -14.098 5.616 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.069 -12.373 5.495 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.777 -12.249 1.126 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.112 -12.349 -0.164 1.00 0.00 C ATOM 1205 C ILE A 79 0.401 -12.610 -0.041 1.00 0.00 C ATOM 1206 O ILE A 79 1.016 -13.039 -1.015 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.438 -11.059 -0.951 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.255 -11.251 -2.463 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.598 -9.854 -0.486 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -1.949 -10.158 -3.277 1.00 0.00 C ATOM 0 H ILE A 79 -2.183 -11.327 1.287 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.484 -13.218 -0.706 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.487 -10.846 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.191 -11.257 -2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.651 -12.224 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.867 -8.975 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.792 -9.661 0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.461 -10.073 -0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.790 -10.339 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.018 -10.168 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.535 -9.186 -3.009 1.00 0.00 H new ATOM 1222 N PHE A 80 1.027 -12.331 1.109 1.00 0.00 N ATOM 1223 CA PHE A 80 2.462 -12.514 1.314 1.00 0.00 C ATOM 1224 C PHE A 80 2.835 -13.991 1.416 1.00 0.00 C ATOM 1225 O PHE A 80 3.908 -14.389 0.949 1.00 0.00 O ATOM 1226 CB PHE A 80 2.907 -11.766 2.579 1.00 0.00 C ATOM 1227 CG PHE A 80 4.388 -11.877 2.914 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.374 -11.823 1.907 1.00 0.00 C ATOM 1229 CD2 PHE A 80 4.780 -12.076 4.251 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.726 -12.017 2.225 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.136 -12.250 4.570 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.108 -12.238 3.556 1.00 0.00 C ATOM 0 H PHE A 80 0.543 -11.968 1.930 1.00 0.00 H new ATOM 0 HA PHE A 80 2.980 -12.104 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.655 -10.712 2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.331 -12.142 3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.086 -11.631 0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.036 -12.095 5.033 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.473 -11.996 1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.433 -12.394 5.598 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.147 -12.399 3.801 1.00 0.00 H new ATOM 1242 N TYR A 81 1.961 -14.805 2.010 1.00 0.00 N ATOM 1243 CA TYR A 81 2.174 -16.243 2.082 1.00 0.00 C ATOM 1244 C TYR A 81 1.864 -16.906 0.737 1.00 0.00 C ATOM 1245 O TYR A 81 2.286 -18.041 0.511 1.00 0.00 O ATOM 1246 CB TYR A 81 1.317 -16.856 3.200 1.00 0.00 C ATOM 1247 CG TYR A 81 1.291 -16.065 4.499 1.00 0.00 C ATOM 1248 CD1 TYR A 81 2.366 -16.131 5.407 1.00 0.00 C ATOM 1249 CD2 TYR A 81 0.171 -15.269 4.802 1.00 0.00 C ATOM 1250 CE1 TYR A 81 2.321 -15.404 6.613 1.00 0.00 C ATOM 1251 CE2 TYR A 81 0.129 -14.524 5.994 1.00 0.00 C ATOM 1252 CZ TYR A 81 1.203 -14.590 6.910 1.00 0.00 C ATOM 1253 OH TYR A 81 1.146 -13.875 8.068 1.00 0.00 O ATOM 0 H TYR A 81 1.097 -14.487 2.449 1.00 0.00 H new ATOM 0 HA TYR A 81 3.224 -16.424 2.314 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.295 -16.962 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.686 -17.860 3.411 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.227 -16.741 5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.661 -15.230 4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.142 -15.468 7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.726 -13.900 6.210 1.00 0.00 H new ATOM 0 HH TYR A 81 0.305 -13.373 8.102 1.00 0.00 H new ATOM 1263 N HIS A 82 1.154 -16.209 -0.160 1.00 0.00 N ATOM 1264 CA HIS A 82 0.718 -16.752 -1.431 1.00 0.00 C ATOM 1265 C HIS A 82 1.911 -16.890 -2.392 1.00 0.00 C ATOM 1266 O HIS A 82 3.046 -16.520 -2.084 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.454 -15.915 -1.982 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.299 -16.698 -2.954 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -1.148 -16.748 -4.313 1.00 0.00 N flip ATOM 1270 CD2 HIS A 82 -2.281 -17.597 -2.611 1.00 0.00 C flip ATOM 1271 CE1 HIS A 82 -1.984 -17.754 -4.799 1.00 0.00 C flip ATOM 1272 NE2 HIS A 82 -2.663 -18.222 -3.739 1.00 0.00 N flip ATOM 0 H HIS A 82 0.868 -15.241 -0.011 1.00 0.00 H new ATOM 0 HA HIS A 82 0.332 -17.763 -1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.076 -15.573 -1.155 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.063 -15.025 -2.476 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -2.673 -17.769 -1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.068 -18.089 -5.822 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.373 -18.953 -3.783 1.00 0.00 H new ATOM 1280 N ARG A 83 1.657 -17.484 -3.555 1.00 0.00 N ATOM 1281 CA ARG A 83 2.638 -18.071 -4.457 1.00 0.00 C ATOM 1282 C ARG A 83 2.397 -17.604 -5.883 1.00 0.00 C ATOM 1283 O ARG A 83 2.901 -18.259 -6.816 1.00 0.00 O ATOM 1284 CB ARG A 83 2.587 -19.608 -4.294 1.00 0.00 C ATOM 1285 CG ARG A 83 1.189 -20.233 -4.499 1.00 0.00 C ATOM 1286 CD ARG A 83 1.139 -21.684 -4.003 1.00 0.00 C ATOM 1287 NE ARG A 83 1.737 -22.624 -4.957 1.00 0.00 N ATOM 1288 CZ ARG A 83 2.218 -23.842 -4.699 1.00 0.00 C ATOM 1289 NH1 ARG A 83 2.315 -24.315 -3.461 1.00 0.00 N ATOM 1290 NH2 ARG A 83 2.590 -24.597 -5.721 1.00 0.00 N ATOM 0 H ARG A 83 0.705 -17.572 -3.912 1.00 0.00 H new ATOM 0 HA ARG A 83 3.646 -17.741 -4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.279 -20.058 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.943 -19.866 -3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.444 -19.641 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.927 -20.200 -5.557 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.662 -21.757 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.102 -21.967 -3.820 1.00 0.00 H new ATOM 0 HE ARG A 83 1.791 -22.312 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.017 -23.742 -2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.688 -25.251 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.505 -24.243 -6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.961 -25.532 -5.555 1.00 0.00 H new TER 1304 ARG A 83