USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1000 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 SER OG : rot -130:sc= -0.145 USER MOD Set 1.2: A 85 MET CE :methyl -145:sc= -0.258 (180deg=-0.616) USER MOD Set 2.1: A 7 LYS NZ :NH3+ 151:sc= -1.54 (180deg=-1.03) USER MOD Set 2.2: A 32 ASN : amide:sc= -1.94 K(o=-3.5,f=-19!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -73:sc= 0.0188 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -1.37 F(o=-3.8!,f=-1.4) USER MOD Single : A 44 ASN : amide:sc= 0.039 X(o=0.039,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.0312 (180deg=-0.207) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 MET CE :methyl 159:sc= -1.8 (180deg=-2.89!) USER MOD Single : A 62 ASN :FLIP amide:sc=-0.00499 F(o=-1.5,f=-0.005) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.347) USER MOD Single : A 71 THR OG1 : rot 99:sc= 0.807 USER MOD Single : A 78 MET CE :methyl 177:sc= 0 (180deg=-0.00622) USER MOD Single : A 79 SER OG : rot -64:sc= 1.25 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.397 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.0671 K(o=-0.067,f=-1) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 130:sc= -3.92! USER MOD Single : A 109 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0148) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 56:sc= -0.122! USER MOD Single : A 119 LYS NZ :NH3+ 152:sc= -0.0135 (180deg=-0.289) USER MOD Single : A 121 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.2) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.575) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.288 -0.524 8.376 1.00 0.00 N ATOM 2 CA ALA A 2 -12.954 -0.084 8.879 1.00 0.00 C ATOM 3 C ALA A 2 -12.763 1.393 8.547 1.00 0.00 C ATOM 4 O ALA A 2 -11.833 1.761 7.860 1.00 0.00 O ATOM 5 CB ALA A 2 -11.860 -0.895 8.185 1.00 0.00 C ATOM 0 HA ALA A 2 -12.897 -0.236 9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.884 -0.576 8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.000 -1.954 8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.915 -0.734 7.108 1.00 0.00 H new ATOM 11 N ASP A 3 -13.641 2.243 9.014 1.00 0.00 N ATOM 12 CA ASP A 3 -13.512 3.695 8.696 1.00 0.00 C ATOM 13 C ASP A 3 -13.605 3.856 7.181 1.00 0.00 C ATOM 14 O ASP A 3 -12.788 3.349 6.461 1.00 0.00 O ATOM 15 CB ASP A 3 -12.155 4.226 9.185 1.00 0.00 C ATOM 16 CG ASP A 3 -12.384 5.318 10.232 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.786 6.404 9.849 1.00 0.00 O ATOM 18 OD2 ASP A 3 -12.156 5.048 11.400 1.00 0.00 O ATOM 0 H ASP A 3 -14.439 1.995 9.600 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.303 4.257 9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.567 3.414 9.613 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.584 4.625 8.346 1.00 0.00 H new ATOM 23 N LYS A 4 -14.602 4.531 6.685 1.00 0.00 N ATOM 24 CA LYS A 4 -14.718 4.692 5.206 1.00 0.00 C ATOM 25 C LYS A 4 -13.987 5.959 4.750 1.00 0.00 C ATOM 26 O LYS A 4 -14.336 6.556 3.752 1.00 0.00 O ATOM 27 CB LYS A 4 -16.193 4.754 4.799 1.00 0.00 C ATOM 28 CG LYS A 4 -16.910 5.908 5.511 1.00 0.00 C ATOM 29 CD LYS A 4 -18.250 6.177 4.813 1.00 0.00 C ATOM 30 CE LYS A 4 -19.186 4.975 4.981 1.00 0.00 C ATOM 31 NZ LYS A 4 -20.559 5.460 5.305 1.00 0.00 N ATOM 0 H LYS A 4 -15.338 4.976 7.233 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.256 3.832 4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.271 4.883 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.682 3.811 5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.076 5.658 6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.290 6.804 5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.714 7.070 5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.084 6.372 3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.204 4.383 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.821 4.324 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -21.197 4.646 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.534 6.008 6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.905 6.065 4.533 1.00 0.00 H new ATOM 45 N GLU A 5 -12.985 6.381 5.475 1.00 0.00 N ATOM 46 CA GLU A 5 -12.250 7.617 5.076 1.00 0.00 C ATOM 47 C GLU A 5 -10.767 7.481 5.437 1.00 0.00 C ATOM 48 O GLU A 5 -10.122 8.433 5.829 1.00 0.00 O ATOM 49 CB GLU A 5 -12.856 8.823 5.801 1.00 0.00 C ATOM 50 CG GLU A 5 -14.074 9.325 5.022 1.00 0.00 C ATOM 51 CD GLU A 5 -14.691 10.519 5.753 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.541 10.591 6.962 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.303 11.343 5.092 1.00 0.00 O ATOM 0 H GLU A 5 -12.645 5.926 6.322 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.338 7.760 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.148 8.544 6.813 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.115 9.617 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.780 9.615 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.809 8.527 4.922 1.00 0.00 H new ATOM 60 N LEU A 6 -10.215 6.307 5.299 1.00 0.00 N ATOM 61 CA LEU A 6 -8.779 6.124 5.620 1.00 0.00 C ATOM 62 C LEU A 6 -7.958 6.623 4.424 1.00 0.00 C ATOM 63 O LEU A 6 -8.349 6.456 3.289 1.00 0.00 O ATOM 64 CB LEU A 6 -8.527 4.638 5.902 1.00 0.00 C ATOM 65 CG LEU A 6 -7.082 4.390 6.342 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.778 5.168 7.615 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.906 2.898 6.618 1.00 0.00 C ATOM 0 H LEU A 6 -10.699 5.469 4.978 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.486 6.690 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.210 4.293 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.741 4.055 5.006 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.403 4.718 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.747 4.983 7.917 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.917 6.234 7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.452 4.845 8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.881 2.705 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.592 2.591 7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.120 2.333 5.711 1.00 0.00 H new ATOM 79 N LYS A 7 -6.850 7.276 4.664 1.00 0.00 N ATOM 80 CA LYS A 7 -6.047 7.826 3.526 1.00 0.00 C ATOM 81 C LYS A 7 -5.190 6.739 2.872 1.00 0.00 C ATOM 82 O LYS A 7 -4.461 6.026 3.535 1.00 0.00 O ATOM 83 CB LYS A 7 -5.130 8.936 4.043 1.00 0.00 C ATOM 84 CG LYS A 7 -5.837 10.285 3.910 1.00 0.00 C ATOM 85 CD LYS A 7 -5.045 11.354 4.665 1.00 0.00 C ATOM 86 CE LYS A 7 -4.977 12.629 3.824 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.339 12.968 3.324 1.00 0.00 N ATOM 0 H LYS A 7 -6.467 7.452 5.593 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.739 8.217 2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.870 8.751 5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.198 8.945 3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.926 10.558 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.849 10.218 4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.519 11.563 5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.039 10.993 4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.582 13.451 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.295 12.488 2.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.416 13.997 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.502 12.495 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.051 12.649 4.012 1.00 0.00 H new ATOM 101 N PHE A 8 -5.261 6.631 1.563 1.00 0.00 N ATOM 102 CA PHE A 8 -4.451 5.623 0.836 1.00 0.00 C ATOM 103 C PHE A 8 -3.509 6.325 -0.133 1.00 0.00 C ATOM 104 O PHE A 8 -3.815 7.386 -0.642 1.00 0.00 O ATOM 105 CB PHE A 8 -5.359 4.728 -0.001 1.00 0.00 C ATOM 106 CG PHE A 8 -6.198 3.853 0.881 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.319 4.388 1.503 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.860 2.511 1.069 1.00 0.00 C ATOM 109 CE1 PHE A 8 -8.110 3.585 2.319 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.654 1.701 1.892 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.781 2.241 2.518 1.00 0.00 C ATOM 0 H PHE A 8 -5.856 7.210 0.970 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.898 5.038 1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.003 5.342 -0.631 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.756 4.111 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.576 5.426 1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.989 2.099 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.982 4.002 2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.396 0.663 2.042 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.396 1.621 3.154 1.00 0.00 H new ATOM 121 N LEU A 9 -2.386 5.723 -0.419 1.00 0.00 N ATOM 122 CA LEU A 9 -1.439 6.332 -1.401 1.00 0.00 C ATOM 123 C LEU A 9 -1.102 5.294 -2.474 1.00 0.00 C ATOM 124 O LEU A 9 -0.415 4.325 -2.219 1.00 0.00 O ATOM 125 CB LEU A 9 -0.154 6.779 -0.697 1.00 0.00 C ATOM 126 CG LEU A 9 0.844 7.325 -1.729 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.207 8.465 -2.527 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.076 7.853 -1.001 1.00 0.00 C ATOM 0 H LEU A 9 -2.082 4.836 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.906 7.204 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.382 7.546 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.288 5.940 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 9 1.125 6.524 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.924 8.844 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.677 8.096 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.080 9.268 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.789 8.242 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.782 8.650 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.539 7.044 -0.436 1.00 0.00 H new ATOM 140 N VAL A 10 -1.579 5.493 -3.676 1.00 0.00 N ATOM 141 CA VAL A 10 -1.287 4.524 -4.770 1.00 0.00 C ATOM 142 C VAL A 10 -0.135 5.056 -5.624 1.00 0.00 C ATOM 143 O VAL A 10 -0.256 6.071 -6.279 1.00 0.00 O ATOM 144 CB VAL A 10 -2.532 4.363 -5.639 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.454 3.309 -5.022 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.272 5.698 -5.718 1.00 0.00 C ATOM 0 H VAL A 10 -2.159 6.287 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.008 3.560 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.237 4.048 -6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.343 3.195 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.928 2.356 -4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.749 3.625 -4.021 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.161 5.585 -6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.566 6.011 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.617 6.451 -6.156 1.00 0.00 H new ATOM 156 N VAL A 11 0.983 4.378 -5.614 1.00 0.00 N ATOM 157 CA VAL A 11 2.149 4.834 -6.409 1.00 0.00 C ATOM 158 C VAL A 11 2.393 3.870 -7.573 1.00 0.00 C ATOM 159 O VAL A 11 2.833 2.754 -7.387 1.00 0.00 O ATOM 160 CB VAL A 11 3.381 4.881 -5.508 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.582 5.412 -6.295 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.102 5.808 -4.324 1.00 0.00 C ATOM 0 H VAL A 11 1.134 3.521 -5.082 1.00 0.00 H new ATOM 0 HA VAL A 11 1.952 5.828 -6.810 1.00 0.00 H new ATOM 0 HB VAL A 11 3.604 3.876 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.457 5.443 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.781 4.755 -7.142 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.364 6.416 -6.658 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.978 5.846 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.879 6.810 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.250 5.430 -3.759 1.00 0.00 H new ATOM 172 N ASP A 12 2.112 4.297 -8.774 1.00 0.00 N ATOM 173 CA ASP A 12 2.327 3.410 -9.952 1.00 0.00 C ATOM 174 C ASP A 12 2.459 4.266 -11.213 1.00 0.00 C ATOM 175 O ASP A 12 1.593 5.058 -11.530 1.00 0.00 O ATOM 176 CB ASP A 12 1.138 2.459 -10.100 1.00 0.00 C ATOM 177 CG ASP A 12 1.642 1.066 -10.482 1.00 0.00 C ATOM 178 OD1 ASP A 12 1.909 0.287 -9.582 1.00 0.00 O ATOM 179 OD2 ASP A 12 1.751 0.802 -11.669 1.00 0.00 O ATOM 0 H ASP A 12 1.742 5.223 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 12 3.238 2.829 -9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.579 2.411 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.454 2.831 -10.862 1.00 0.00 H new ATOM 184 N ASP A 13 3.535 4.116 -11.934 1.00 0.00 N ATOM 185 CA ASP A 13 3.722 4.924 -13.172 1.00 0.00 C ATOM 186 C ASP A 13 2.621 4.585 -14.180 1.00 0.00 C ATOM 187 O ASP A 13 2.230 5.407 -14.985 1.00 0.00 O ATOM 188 CB ASP A 13 5.087 4.608 -13.785 1.00 0.00 C ATOM 189 CG ASP A 13 4.908 3.642 -14.959 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.727 2.462 -14.706 1.00 0.00 O ATOM 191 OD2 ASP A 13 4.955 4.099 -16.089 1.00 0.00 O ATOM 0 H ASP A 13 4.293 3.469 -11.720 1.00 0.00 H new ATOM 0 HA ASP A 13 3.670 5.984 -12.922 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.566 5.526 -14.125 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.742 4.167 -13.034 1.00 0.00 H new ATOM 196 N PHE A 14 2.117 3.382 -14.144 1.00 0.00 N ATOM 197 CA PHE A 14 1.044 2.996 -15.104 1.00 0.00 C ATOM 198 C PHE A 14 -0.046 4.070 -15.110 1.00 0.00 C ATOM 199 O PHE A 14 -0.419 4.595 -14.079 1.00 0.00 O ATOM 200 CB PHE A 14 0.438 1.657 -14.680 1.00 0.00 C ATOM 201 CG PHE A 14 0.444 0.709 -15.857 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.155 1.089 -17.064 1.00 0.00 C ATOM 203 CD2 PHE A 14 1.049 -0.550 -15.743 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.151 0.213 -18.156 1.00 0.00 C ATOM 205 CE2 PHE A 14 1.053 -1.426 -16.835 1.00 0.00 C ATOM 206 CZ PHE A 14 0.454 -1.045 -18.041 1.00 0.00 C ATOM 0 H PHE A 14 2.401 2.650 -13.492 1.00 0.00 H new ATOM 0 HA PHE A 14 1.468 2.903 -16.104 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.008 1.232 -13.854 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.581 1.803 -14.322 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.621 2.059 -17.153 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.512 -0.844 -14.813 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.614 0.507 -19.086 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.519 -2.396 -16.747 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.458 -1.721 -18.883 1.00 0.00 H new ATOM 216 N SER A 15 -0.559 4.400 -16.263 1.00 0.00 N ATOM 217 CA SER A 15 -1.624 5.441 -16.337 1.00 0.00 C ATOM 218 C SER A 15 -2.999 4.770 -16.295 1.00 0.00 C ATOM 219 O SER A 15 -3.986 5.328 -16.730 1.00 0.00 O ATOM 220 CB SER A 15 -1.479 6.225 -17.642 1.00 0.00 C ATOM 221 OG SER A 15 -1.467 5.319 -18.737 1.00 0.00 O ATOM 0 H SER A 15 -0.287 3.994 -17.158 1.00 0.00 H new ATOM 0 HA SER A 15 -1.527 6.121 -15.491 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.303 6.931 -17.749 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.559 6.809 -17.628 1.00 0.00 H new ATOM 0 HG SER A 15 -1.376 5.819 -19.575 1.00 0.00 H new ATOM 227 N THR A 16 -3.071 3.574 -15.774 1.00 0.00 N ATOM 228 CA THR A 16 -4.381 2.866 -15.703 1.00 0.00 C ATOM 229 C THR A 16 -4.434 2.016 -14.432 1.00 0.00 C ATOM 230 O THR A 16 -5.485 1.578 -14.009 1.00 0.00 O ATOM 231 CB THR A 16 -4.538 1.959 -16.925 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.775 0.775 -16.736 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.047 2.692 -18.175 1.00 0.00 C ATOM 0 H THR A 16 -2.278 3.057 -15.394 1.00 0.00 H new ATOM 0 HA THR A 16 -5.188 3.599 -15.686 1.00 0.00 H new ATOM 0 HB THR A 16 -5.589 1.698 -17.051 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.822 0.981 -16.833 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.160 2.044 -19.044 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.635 3.599 -18.319 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.997 2.956 -18.053 1.00 0.00 H new ATOM 241 N MET A 17 -3.306 1.779 -13.819 1.00 0.00 N ATOM 242 CA MET A 17 -3.291 0.957 -12.577 1.00 0.00 C ATOM 243 C MET A 17 -3.922 1.748 -11.429 1.00 0.00 C ATOM 244 O MET A 17 -4.647 1.209 -10.617 1.00 0.00 O ATOM 245 CB MET A 17 -1.845 0.605 -12.219 1.00 0.00 C ATOM 246 CG MET A 17 -1.819 -0.158 -10.893 1.00 0.00 C ATOM 247 SD MET A 17 -0.380 -1.254 -10.855 1.00 0.00 S ATOM 248 CE MET A 17 -0.464 -1.677 -9.098 1.00 0.00 C ATOM 0 H MET A 17 -2.395 2.119 -14.125 1.00 0.00 H new ATOM 0 HA MET A 17 -3.861 0.042 -12.741 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.401 -0.001 -13.008 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.247 1.513 -12.140 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.778 0.543 -10.059 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.734 -0.738 -10.777 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.349 -2.359 -8.849 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.373 -0.770 -8.501 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.419 -2.157 -8.885 1.00 0.00 H new ATOM 258 N ARG A 18 -3.655 3.023 -11.356 1.00 0.00 N ATOM 259 CA ARG A 18 -4.241 3.844 -10.260 1.00 0.00 C ATOM 260 C ARG A 18 -5.749 3.893 -10.415 1.00 0.00 C ATOM 261 O ARG A 18 -6.485 3.943 -9.449 1.00 0.00 O ATOM 262 CB ARG A 18 -3.665 5.269 -10.325 1.00 0.00 C ATOM 263 CG ARG A 18 -4.730 6.315 -10.704 1.00 0.00 C ATOM 264 CD ARG A 18 -4.066 7.690 -10.818 1.00 0.00 C ATOM 265 NE ARG A 18 -4.326 8.256 -12.172 1.00 0.00 N ATOM 266 CZ ARG A 18 -4.973 9.382 -12.295 1.00 0.00 C ATOM 267 NH1 ARG A 18 -4.467 10.482 -11.806 1.00 0.00 N ATOM 268 NH2 ARG A 18 -6.125 9.409 -12.905 1.00 0.00 N ATOM 0 H ARG A 18 -3.057 3.531 -12.007 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.993 3.398 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.233 5.528 -9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.855 5.298 -11.054 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.201 6.046 -11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.517 6.339 -9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.457 8.359 -10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.993 7.603 -10.648 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.998 7.763 -13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.566 10.461 -11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.973 11.363 -11.902 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.521 8.550 -13.286 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.631 10.290 -13.001 1.00 0.00 H new ATOM 282 N ARG A 19 -6.216 3.919 -11.623 1.00 0.00 N ATOM 283 CA ARG A 19 -7.674 4.011 -11.828 1.00 0.00 C ATOM 284 C ARG A 19 -8.350 2.711 -11.385 1.00 0.00 C ATOM 285 O ARG A 19 -9.533 2.678 -11.111 1.00 0.00 O ATOM 286 CB ARG A 19 -7.970 4.270 -13.306 1.00 0.00 C ATOM 287 CG ARG A 19 -9.424 4.717 -13.468 1.00 0.00 C ATOM 288 CD ARG A 19 -9.769 4.798 -14.956 1.00 0.00 C ATOM 289 NE ARG A 19 -10.549 3.591 -15.351 1.00 0.00 N ATOM 290 CZ ARG A 19 -11.835 3.681 -15.548 1.00 0.00 C ATOM 291 NH1 ARG A 19 -12.330 4.713 -16.175 1.00 0.00 N ATOM 292 NH2 ARG A 19 -12.628 2.739 -15.115 1.00 0.00 N ATOM 0 H ARG A 19 -5.653 3.881 -12.473 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.066 4.835 -11.231 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.298 5.036 -13.693 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.790 3.366 -13.887 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.090 4.014 -12.967 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.572 5.688 -12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.347 5.700 -15.158 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.857 4.865 -15.549 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.077 2.694 -15.467 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.711 5.450 -16.512 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.336 4.782 -16.328 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.242 1.933 -14.623 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.634 2.809 -15.269 1.00 0.00 H new ATOM 306 N ILE A 20 -7.610 1.641 -11.320 1.00 0.00 N ATOM 307 CA ILE A 20 -8.210 0.342 -10.903 1.00 0.00 C ATOM 308 C ILE A 20 -8.448 0.344 -9.390 1.00 0.00 C ATOM 309 O ILE A 20 -9.491 -0.064 -8.915 1.00 0.00 O ATOM 310 CB ILE A 20 -7.251 -0.794 -11.275 1.00 0.00 C ATOM 311 CG1 ILE A 20 -7.539 -1.248 -12.708 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.438 -1.977 -10.321 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.383 -2.111 -13.214 1.00 0.00 C ATOM 0 H ILE A 20 -6.614 1.609 -11.538 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.163 0.198 -11.411 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.225 -0.435 -11.198 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.470 -1.814 -12.741 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.670 -0.381 -13.356 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.751 -2.778 -10.595 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.232 -1.657 -9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.464 -2.340 -10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.589 -2.434 -14.234 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.461 -1.530 -13.196 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.274 -2.985 -12.572 1.00 0.00 H new ATOM 325 N VAL A 21 -7.488 0.791 -8.631 1.00 0.00 N ATOM 326 CA VAL A 21 -7.658 0.806 -7.149 1.00 0.00 C ATOM 327 C VAL A 21 -8.580 1.957 -6.739 1.00 0.00 C ATOM 328 O VAL A 21 -9.365 1.833 -5.819 1.00 0.00 O ATOM 329 CB VAL A 21 -6.293 0.979 -6.481 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.880 -0.340 -5.829 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.258 1.366 -7.537 1.00 0.00 C ATOM 0 H VAL A 21 -6.594 1.146 -8.970 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.103 -0.137 -6.831 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.352 1.760 -5.723 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.907 -0.221 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.620 -0.623 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.818 -1.118 -6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.284 1.490 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.197 0.582 -8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.553 2.303 -8.010 1.00 0.00 H new ATOM 341 N ARG A 22 -8.495 3.071 -7.410 1.00 0.00 N ATOM 342 CA ARG A 22 -9.373 4.223 -7.053 1.00 0.00 C ATOM 343 C ARG A 22 -10.811 3.734 -6.896 1.00 0.00 C ATOM 344 O ARG A 22 -11.456 3.963 -5.891 1.00 0.00 O ATOM 345 CB ARG A 22 -9.320 5.259 -8.174 1.00 0.00 C ATOM 346 CG ARG A 22 -8.497 6.465 -7.719 1.00 0.00 C ATOM 347 CD ARG A 22 -8.343 7.450 -8.879 1.00 0.00 C ATOM 348 NE ARG A 22 -7.241 8.407 -8.574 1.00 0.00 N ATOM 349 CZ ARG A 22 -7.509 9.669 -8.375 1.00 0.00 C ATOM 350 NH1 ARG A 22 -8.041 10.382 -9.329 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.244 10.218 -7.220 1.00 0.00 N ATOM 0 H ARG A 22 -7.857 3.235 -8.189 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.031 4.668 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.877 4.820 -9.068 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.329 5.574 -8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.986 6.954 -6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.516 6.139 -7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.127 6.911 -9.802 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.276 7.991 -9.037 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.278 8.076 -8.521 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.248 9.953 -10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.250 11.368 -9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.828 9.661 -6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.453 11.204 -7.064 1.00 0.00 H new ATOM 365 N ASN A 23 -11.312 3.058 -7.888 1.00 0.00 N ATOM 366 CA ASN A 23 -12.693 2.538 -7.838 1.00 0.00 C ATOM 367 C ASN A 23 -12.792 1.472 -6.757 1.00 0.00 C ATOM 368 O ASN A 23 -13.587 1.558 -5.845 1.00 0.00 O ATOM 369 CB ASN A 23 -12.969 1.892 -9.180 1.00 0.00 C ATOM 370 CG ASN A 23 -14.338 2.330 -9.704 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.247 1.530 -9.808 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.525 3.577 -10.042 1.00 0.00 N ATOM 0 H ASN A 23 -10.807 2.842 -8.748 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.402 3.337 -7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.192 2.170 -9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.939 0.807 -9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.434 3.879 -10.393 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.762 4.249 -9.955 1.00 0.00 H new ATOM 379 N LEU A 24 -11.982 0.461 -6.884 1.00 0.00 N ATOM 380 CA LEU A 24 -11.982 -0.657 -5.900 1.00 0.00 C ATOM 381 C LEU A 24 -12.146 -0.100 -4.480 1.00 0.00 C ATOM 382 O LEU A 24 -13.100 -0.404 -3.791 1.00 0.00 O ATOM 383 CB LEU A 24 -10.643 -1.388 -6.020 1.00 0.00 C ATOM 384 CG LEU A 24 -10.718 -2.800 -5.395 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.485 -3.854 -6.484 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.651 -2.981 -4.302 1.00 0.00 C ATOM 0 H LEU A 24 -11.307 0.360 -7.642 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.807 -1.340 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.362 -1.467 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.864 -0.809 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.705 -2.920 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.538 -4.850 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.250 -3.757 -7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.501 -3.706 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.728 -3.983 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.660 -2.845 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.808 -2.244 -3.515 1.00 0.00 H new ATOM 398 N LEU A 25 -11.230 0.722 -4.043 1.00 0.00 N ATOM 399 CA LEU A 25 -11.340 1.307 -2.675 1.00 0.00 C ATOM 400 C LEU A 25 -12.680 2.034 -2.547 1.00 0.00 C ATOM 401 O LEU A 25 -13.390 1.879 -1.573 1.00 0.00 O ATOM 402 CB LEU A 25 -10.193 2.297 -2.454 1.00 0.00 C ATOM 403 CG LEU A 25 -9.001 1.575 -1.821 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.706 2.296 -2.203 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.152 1.578 -0.298 1.00 0.00 C ATOM 0 H LEU A 25 -10.410 1.014 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.282 0.516 -1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.897 2.743 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.522 3.111 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.967 0.547 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.857 1.782 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.596 2.296 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.742 3.324 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.303 1.064 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.186 2.606 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.074 1.066 -0.023 1.00 0.00 H new ATOM 417 N LYS A 26 -13.036 2.823 -3.524 1.00 0.00 N ATOM 418 CA LYS A 26 -14.329 3.550 -3.456 1.00 0.00 C ATOM 419 C LYS A 26 -15.463 2.546 -3.243 1.00 0.00 C ATOM 420 O LYS A 26 -16.433 2.823 -2.566 1.00 0.00 O ATOM 421 CB LYS A 26 -14.558 4.314 -4.762 1.00 0.00 C ATOM 422 CG LYS A 26 -15.752 5.257 -4.599 1.00 0.00 C ATOM 423 CD LYS A 26 -15.980 6.026 -5.902 1.00 0.00 C ATOM 424 CE LYS A 26 -15.620 7.498 -5.697 1.00 0.00 C ATOM 425 NZ LYS A 26 -15.770 8.230 -6.986 1.00 0.00 N ATOM 0 H LYS A 26 -12.485 2.994 -4.365 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.307 4.256 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.666 4.882 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.742 3.615 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.645 4.688 -4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.569 5.954 -3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.371 5.600 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.021 5.935 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -16.266 7.939 -4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.596 7.586 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.525 9.231 -6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.136 7.814 -7.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -16.754 8.157 -7.314 1.00 0.00 H new ATOM 439 N GLU A 27 -15.348 1.383 -3.822 1.00 0.00 N ATOM 440 CA GLU A 27 -16.412 0.359 -3.661 1.00 0.00 C ATOM 441 C GLU A 27 -16.674 0.114 -2.174 1.00 0.00 C ATOM 442 O GLU A 27 -17.761 -0.258 -1.779 1.00 0.00 O ATOM 443 CB GLU A 27 -15.964 -0.947 -4.322 1.00 0.00 C ATOM 444 CG GLU A 27 -17.185 -1.686 -4.877 1.00 0.00 C ATOM 445 CD GLU A 27 -18.185 -1.942 -3.749 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.796 -2.552 -2.765 1.00 0.00 O ATOM 447 OE2 GLU A 27 -19.323 -1.526 -3.887 1.00 0.00 O ATOM 0 H GLU A 27 -14.558 1.099 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.328 0.713 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.258 -0.736 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.445 -1.574 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.653 -1.096 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.878 -2.631 -5.326 1.00 0.00 H new ATOM 454 N LEU A 28 -15.685 0.313 -1.346 1.00 0.00 N ATOM 455 CA LEU A 28 -15.880 0.082 0.113 1.00 0.00 C ATOM 456 C LEU A 28 -16.475 1.333 0.765 1.00 0.00 C ATOM 457 O LEU A 28 -17.242 1.244 1.703 1.00 0.00 O ATOM 458 CB LEU A 28 -14.531 -0.236 0.761 1.00 0.00 C ATOM 459 CG LEU A 28 -14.319 -1.752 0.801 1.00 0.00 C ATOM 460 CD1 LEU A 28 -14.333 -2.308 -0.624 1.00 0.00 C ATOM 461 CD2 LEU A 28 -12.970 -2.061 1.455 1.00 0.00 C ATOM 0 H LEU A 28 -14.752 0.625 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.563 -0.755 0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.726 0.238 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.497 0.172 1.771 1.00 0.00 H new ATOM 0 HG LEU A 28 -15.119 -2.215 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.182 -3.387 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -15.293 -2.088 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.534 -1.845 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.818 -3.140 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.171 -1.598 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.959 -1.666 2.471 1.00 0.00 H new ATOM 473 N GLY A 29 -16.119 2.496 0.278 1.00 0.00 N ATOM 474 CA GLY A 29 -16.646 3.757 0.864 1.00 0.00 C ATOM 475 C GLY A 29 -15.495 4.737 1.093 1.00 0.00 C ATOM 476 O GLY A 29 -15.651 5.755 1.733 1.00 0.00 O ATOM 0 H GLY A 29 -15.480 2.622 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.386 4.199 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.152 3.548 1.807 1.00 0.00 H new ATOM 480 N PHE A 30 -14.335 4.447 0.575 1.00 0.00 N ATOM 481 CA PHE A 30 -13.191 5.370 0.794 1.00 0.00 C ATOM 482 C PHE A 30 -13.158 6.414 -0.325 1.00 0.00 C ATOM 483 O PHE A 30 -13.421 6.115 -1.473 1.00 0.00 O ATOM 484 CB PHE A 30 -11.880 4.576 0.768 1.00 0.00 C ATOM 485 CG PHE A 30 -11.776 3.697 1.986 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.418 4.253 3.213 1.00 0.00 C ATOM 487 CD2 PHE A 30 -12.016 2.321 1.882 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.294 3.437 4.339 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.895 1.502 3.012 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.532 2.061 4.241 1.00 0.00 C ATOM 0 H PHE A 30 -14.132 3.619 0.015 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.306 5.863 1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.835 3.966 -0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.033 5.261 0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.237 5.315 3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.294 1.892 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.014 3.869 5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.082 0.441 2.934 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.435 1.432 5.114 1.00 0.00 H new ATOM 500 N ASN A 31 -12.841 7.638 0.006 1.00 0.00 N ATOM 501 CA ASN A 31 -12.794 8.708 -1.032 1.00 0.00 C ATOM 502 C ASN A 31 -11.649 9.677 -0.724 1.00 0.00 C ATOM 503 O ASN A 31 -11.699 10.840 -1.074 1.00 0.00 O ATOM 504 CB ASN A 31 -14.121 9.470 -1.036 1.00 0.00 C ATOM 505 CG ASN A 31 -14.120 10.493 -2.173 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.170 10.454 -3.068 1.00 0.00 O flip ATOM 507 ND2 ASN A 31 -14.991 11.337 -2.248 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.612 7.943 0.952 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.629 8.256 -2.010 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.951 8.775 -1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.266 9.973 -0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.733 11.368 -1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.980 12.015 -3.010 1.00 0.00 H new ATOM 514 N ASN A 32 -10.617 9.200 -0.077 1.00 0.00 N ATOM 515 CA ASN A 32 -9.453 10.074 0.257 1.00 0.00 C ATOM 516 C ASN A 32 -8.170 9.349 -0.150 1.00 0.00 C ATOM 517 O ASN A 32 -7.582 8.625 0.630 1.00 0.00 O ATOM 518 CB ASN A 32 -9.439 10.351 1.762 1.00 0.00 C ATOM 519 CG ASN A 32 -8.618 11.611 2.044 1.00 0.00 C ATOM 520 OD1 ASN A 32 -7.570 11.811 1.463 1.00 0.00 O ATOM 521 ND2 ASN A 32 -9.054 12.476 2.919 1.00 0.00 N ATOM 0 H ASN A 32 -10.530 8.233 0.237 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.527 11.022 -0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.458 10.479 2.128 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.013 9.501 2.295 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.515 13.319 3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.934 12.308 3.407 1.00 0.00 H new ATOM 528 N VAL A 33 -7.749 9.522 -1.375 1.00 0.00 N ATOM 529 CA VAL A 33 -6.521 8.826 -1.859 1.00 0.00 C ATOM 530 C VAL A 33 -5.663 9.786 -2.683 1.00 0.00 C ATOM 531 O VAL A 33 -6.169 10.708 -3.293 1.00 0.00 O ATOM 532 CB VAL A 33 -6.949 7.661 -2.756 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.718 6.894 -3.236 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.869 6.722 -1.974 1.00 0.00 C ATOM 0 H VAL A 33 -8.206 10.119 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.944 8.470 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.484 8.053 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.030 6.067 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.070 7.563 -3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.174 6.504 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.173 5.894 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.338 6.333 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.753 7.269 -1.645 1.00 0.00 H new ATOM 544 N GLU A 34 -4.370 9.557 -2.729 1.00 0.00 N ATOM 545 CA GLU A 34 -3.478 10.431 -3.540 1.00 0.00 C ATOM 546 C GLU A 34 -2.689 9.539 -4.493 1.00 0.00 C ATOM 547 O GLU A 34 -2.940 8.351 -4.585 1.00 0.00 O ATOM 548 CB GLU A 34 -2.530 11.202 -2.623 1.00 0.00 C ATOM 549 CG GLU A 34 -3.260 12.429 -2.066 1.00 0.00 C ATOM 550 CD GLU A 34 -2.944 13.650 -2.932 1.00 0.00 C ATOM 551 OE1 GLU A 34 -3.629 13.840 -3.924 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.026 14.375 -2.588 1.00 0.00 O ATOM 0 H GLU A 34 -3.898 8.799 -2.236 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.064 11.156 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.193 10.563 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.642 11.511 -3.174 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.335 12.250 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.953 12.611 -1.036 1.00 0.00 H new ATOM 559 N GLU A 35 -1.752 10.083 -5.212 1.00 0.00 N ATOM 560 CA GLU A 35 -0.981 9.238 -6.160 1.00 0.00 C ATOM 561 C GLU A 35 0.431 9.787 -6.329 1.00 0.00 C ATOM 562 O GLU A 35 0.657 10.979 -6.267 1.00 0.00 O ATOM 563 CB GLU A 35 -1.689 9.226 -7.518 1.00 0.00 C ATOM 564 CG GLU A 35 -1.030 8.195 -8.438 1.00 0.00 C ATOM 565 CD GLU A 35 -0.538 8.885 -9.711 1.00 0.00 C ATOM 566 OE1 GLU A 35 0.068 9.938 -9.594 1.00 0.00 O ATOM 567 OE2 GLU A 35 -0.774 8.350 -10.782 1.00 0.00 O ATOM 0 H GLU A 35 -1.488 11.068 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.921 8.224 -5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.744 8.987 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.641 10.216 -7.972 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.195 7.716 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.742 7.409 -8.690 1.00 0.00 H new ATOM 574 N ALA A 36 1.375 8.916 -6.560 1.00 0.00 N ATOM 575 CA ALA A 36 2.784 9.355 -6.761 1.00 0.00 C ATOM 576 C ALA A 36 3.303 8.740 -8.061 1.00 0.00 C ATOM 577 O ALA A 36 2.683 7.861 -8.626 1.00 0.00 O ATOM 578 CB ALA A 36 3.636 8.891 -5.579 1.00 0.00 C ATOM 0 H ALA A 36 1.228 7.908 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 36 2.838 10.442 -6.824 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.667 9.212 -5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.248 9.326 -4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.601 7.804 -5.510 1.00 0.00 H new ATOM 584 N GLU A 37 4.417 9.204 -8.558 1.00 0.00 N ATOM 585 CA GLU A 37 4.945 8.652 -9.839 1.00 0.00 C ATOM 586 C GLU A 37 5.960 7.537 -9.575 1.00 0.00 C ATOM 587 O GLU A 37 6.460 6.927 -10.498 1.00 0.00 O ATOM 588 CB GLU A 37 5.622 9.774 -10.630 1.00 0.00 C ATOM 589 CG GLU A 37 4.642 10.935 -10.811 1.00 0.00 C ATOM 590 CD GLU A 37 3.465 10.481 -11.676 1.00 0.00 C ATOM 591 OE1 GLU A 37 3.586 10.548 -12.888 1.00 0.00 O ATOM 592 OE2 GLU A 37 2.462 10.076 -11.111 1.00 0.00 O ATOM 0 H GLU A 37 4.983 9.939 -8.134 1.00 0.00 H new ATOM 0 HA GLU A 37 4.113 8.237 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.514 10.116 -10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.946 9.403 -11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.283 11.276 -9.840 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.146 11.780 -11.279 1.00 0.00 H new ATOM 599 N ASP A 38 6.275 7.258 -8.335 1.00 0.00 N ATOM 600 CA ASP A 38 7.264 6.173 -8.046 1.00 0.00 C ATOM 601 C ASP A 38 7.654 6.212 -6.570 1.00 0.00 C ATOM 602 O ASP A 38 7.273 7.102 -5.837 1.00 0.00 O ATOM 603 CB ASP A 38 8.527 6.368 -8.895 1.00 0.00 C ATOM 604 CG ASP A 38 8.762 7.861 -9.142 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.018 8.568 -8.182 1.00 0.00 O ATOM 606 OD2 ASP A 38 8.680 8.270 -10.289 1.00 0.00 O ATOM 0 H ASP A 38 5.894 7.730 -7.515 1.00 0.00 H new ATOM 0 HA ASP A 38 6.807 5.213 -8.287 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.388 5.934 -8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.421 5.845 -9.846 1.00 0.00 H new ATOM 611 N GLY A 39 8.418 5.250 -6.129 1.00 0.00 N ATOM 612 CA GLY A 39 8.842 5.224 -4.702 1.00 0.00 C ATOM 613 C GLY A 39 9.466 6.570 -4.325 1.00 0.00 C ATOM 614 O GLY A 39 9.129 7.159 -3.318 1.00 0.00 O ATOM 0 H GLY A 39 8.767 4.479 -6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.985 5.018 -4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.561 4.421 -4.541 1.00 0.00 H new ATOM 618 N VAL A 40 10.371 7.067 -5.123 1.00 0.00 N ATOM 619 CA VAL A 40 11.003 8.376 -4.799 1.00 0.00 C ATOM 620 C VAL A 40 9.904 9.412 -4.591 1.00 0.00 C ATOM 621 O VAL A 40 9.941 10.210 -3.674 1.00 0.00 O ATOM 622 CB VAL A 40 11.905 8.810 -5.955 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.178 10.311 -5.853 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.228 8.045 -5.885 1.00 0.00 C ATOM 0 H VAL A 40 10.699 6.625 -5.982 1.00 0.00 H new ATOM 0 HA VAL A 40 11.603 8.285 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 40 11.410 8.594 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.821 10.621 -6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.236 10.856 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.672 10.527 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.871 8.354 -6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.723 8.260 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.034 6.975 -5.958 1.00 0.00 H new ATOM 634 N ASP A 41 8.918 9.393 -5.437 1.00 0.00 N ATOM 635 CA ASP A 41 7.797 10.359 -5.302 1.00 0.00 C ATOM 636 C ASP A 41 7.068 10.089 -3.988 1.00 0.00 C ATOM 637 O ASP A 41 6.835 10.979 -3.196 1.00 0.00 O ATOM 638 CB ASP A 41 6.831 10.171 -6.470 1.00 0.00 C ATOM 639 CG ASP A 41 5.890 11.374 -6.560 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.517 11.889 -5.519 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.559 11.760 -7.668 1.00 0.00 O ATOM 0 H ASP A 41 8.839 8.746 -6.222 1.00 0.00 H new ATOM 0 HA ASP A 41 8.179 11.380 -5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.388 10.062 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.255 9.256 -6.334 1.00 0.00 H new ATOM 646 N ALA A 42 6.710 8.857 -3.753 1.00 0.00 N ATOM 647 CA ALA A 42 6.001 8.515 -2.489 1.00 0.00 C ATOM 648 C ALA A 42 6.813 9.027 -1.301 1.00 0.00 C ATOM 649 O ALA A 42 6.295 9.673 -0.418 1.00 0.00 O ATOM 650 CB ALA A 42 5.853 6.996 -2.378 1.00 0.00 C ATOM 0 H ALA A 42 6.878 8.072 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 42 5.014 8.978 -2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.334 6.748 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.280 6.623 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.840 6.533 -2.376 1.00 0.00 H new ATOM 656 N LEU A 43 8.083 8.734 -1.274 1.00 0.00 N ATOM 657 CA LEU A 43 8.935 9.195 -0.142 1.00 0.00 C ATOM 658 C LEU A 43 8.785 10.706 0.041 1.00 0.00 C ATOM 659 O LEU A 43 8.824 11.213 1.145 1.00 0.00 O ATOM 660 CB LEU A 43 10.398 8.867 -0.444 1.00 0.00 C ATOM 661 CG LEU A 43 11.176 8.726 0.866 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.164 7.263 1.314 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.621 9.180 0.650 1.00 0.00 C ATOM 0 H LEU A 43 8.569 8.193 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 43 8.622 8.689 0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.462 7.942 -1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.838 9.654 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 43 10.710 9.344 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.718 7.164 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.135 6.938 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.630 6.644 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.177 9.080 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.086 8.561 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.631 10.222 0.331 1.00 0.00 H new ATOM 675 N ASN A 44 8.627 11.434 -1.030 1.00 0.00 N ATOM 676 CA ASN A 44 8.491 12.914 -0.909 1.00 0.00 C ATOM 677 C ASN A 44 7.056 13.288 -0.523 1.00 0.00 C ATOM 678 O ASN A 44 6.827 14.258 0.172 1.00 0.00 O ATOM 679 CB ASN A 44 8.843 13.567 -2.246 1.00 0.00 C ATOM 680 CG ASN A 44 10.350 13.821 -2.311 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.786 14.954 -2.333 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.170 12.805 -2.343 1.00 0.00 N ATOM 0 H ASN A 44 8.586 11.070 -1.982 1.00 0.00 H new ATOM 0 HA ASN A 44 9.169 13.268 -0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.537 12.922 -3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.300 14.506 -2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.177 12.963 -2.386 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.804 11.853 -2.324 1.00 0.00 H new ATOM 689 N LYS A 45 6.088 12.542 -0.977 1.00 0.00 N ATOM 690 CA LYS A 45 4.671 12.878 -0.643 1.00 0.00 C ATOM 691 C LYS A 45 4.244 12.175 0.652 1.00 0.00 C ATOM 692 O LYS A 45 3.216 12.483 1.219 1.00 0.00 O ATOM 693 CB LYS A 45 3.758 12.429 -1.787 1.00 0.00 C ATOM 694 CG LYS A 45 2.546 13.360 -1.870 1.00 0.00 C ATOM 695 CD LYS A 45 1.629 12.911 -3.010 1.00 0.00 C ATOM 696 CE LYS A 45 1.813 13.842 -4.209 1.00 0.00 C ATOM 697 NZ LYS A 45 1.191 15.164 -3.914 1.00 0.00 N ATOM 0 H LYS A 45 6.213 11.717 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 45 4.590 13.956 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.305 12.443 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.431 11.402 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.001 13.349 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.874 14.386 -2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.860 11.884 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.590 12.924 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.874 13.968 -4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.356 13.404 -5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.963 15.647 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.319 15.023 -3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.856 15.746 -3.365 1.00 0.00 H new ATOM 711 N LEU A 46 5.016 11.235 1.123 1.00 0.00 N ATOM 712 CA LEU A 46 4.635 10.522 2.377 1.00 0.00 C ATOM 713 C LEU A 46 4.616 11.519 3.537 1.00 0.00 C ATOM 714 O LEU A 46 3.993 11.290 4.555 1.00 0.00 O ATOM 715 CB LEU A 46 5.656 9.414 2.670 1.00 0.00 C ATOM 716 CG LEU A 46 4.972 8.038 2.687 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.922 7.994 3.798 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.287 7.769 1.343 1.00 0.00 C ATOM 0 H LEU A 46 5.891 10.930 0.697 1.00 0.00 H new ATOM 0 HA LEU A 46 3.647 10.078 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.441 9.426 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.136 9.599 3.631 1.00 0.00 H new ATOM 0 HG LEU A 46 5.731 7.276 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.441 7.016 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.403 8.169 4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.173 8.766 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.806 6.791 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.536 8.537 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.030 7.787 0.546 1.00 0.00 H new ATOM 730 N GLN A 47 5.289 12.627 3.390 1.00 0.00 N ATOM 731 CA GLN A 47 5.302 13.638 4.482 1.00 0.00 C ATOM 732 C GLN A 47 3.998 14.436 4.442 1.00 0.00 C ATOM 733 O GLN A 47 3.787 15.338 5.228 1.00 0.00 O ATOM 734 CB GLN A 47 6.487 14.586 4.289 1.00 0.00 C ATOM 735 CG GLN A 47 6.484 15.641 5.396 1.00 0.00 C ATOM 736 CD GLN A 47 7.922 15.921 5.839 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.553 15.087 6.458 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.470 17.068 5.546 1.00 0.00 N ATOM 0 H GLN A 47 5.830 12.875 2.561 1.00 0.00 H new ATOM 0 HA GLN A 47 5.396 13.136 5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.422 14.025 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.425 15.068 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.018 16.559 5.037 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.893 15.293 6.243 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.941 17.768 5.026 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.428 17.265 5.836 1.00 0.00 H new ATOM 747 N ALA A 48 3.122 14.109 3.530 1.00 0.00 N ATOM 748 CA ALA A 48 1.832 14.843 3.432 1.00 0.00 C ATOM 749 C ALA A 48 1.224 15.003 4.826 1.00 0.00 C ATOM 750 O ALA A 48 1.285 16.060 5.422 1.00 0.00 O ATOM 751 CB ALA A 48 0.866 14.060 2.542 1.00 0.00 C ATOM 0 H ALA A 48 3.247 13.362 2.847 1.00 0.00 H new ATOM 0 HA ALA A 48 2.009 15.828 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.079 14.598 2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.297 13.949 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.691 13.075 2.974 1.00 0.00 H new ATOM 757 N GLY A 49 0.638 13.962 5.352 1.00 0.00 N ATOM 758 CA GLY A 49 0.027 14.062 6.709 1.00 0.00 C ATOM 759 C GLY A 49 0.035 12.690 7.385 1.00 0.00 C ATOM 760 O GLY A 49 -0.602 12.487 8.400 1.00 0.00 O ATOM 0 H GLY A 49 0.556 13.050 4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.581 14.779 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.995 14.433 6.631 1.00 0.00 H new ATOM 764 N GLY A 50 0.747 11.746 6.834 1.00 0.00 N ATOM 765 CA GLY A 50 0.789 10.389 7.449 1.00 0.00 C ATOM 766 C GLY A 50 -0.281 9.513 6.803 1.00 0.00 C ATOM 767 O GLY A 50 -1.354 9.323 7.340 1.00 0.00 O ATOM 0 H GLY A 50 1.301 11.855 5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.774 9.944 7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.620 10.458 8.524 1.00 0.00 H new ATOM 771 N TYR A 51 0.003 8.980 5.649 1.00 0.00 N ATOM 772 CA TYR A 51 -0.992 8.121 4.958 1.00 0.00 C ATOM 773 C TYR A 51 -1.334 6.921 5.834 1.00 0.00 C ATOM 774 O TYR A 51 -0.592 5.964 5.911 1.00 0.00 O ATOM 775 CB TYR A 51 -0.402 7.631 3.638 1.00 0.00 C ATOM 776 CG TYR A 51 -0.547 8.715 2.604 1.00 0.00 C ATOM 777 CD1 TYR A 51 -1.733 8.831 1.871 1.00 0.00 C ATOM 778 CD2 TYR A 51 0.505 9.608 2.386 1.00 0.00 C ATOM 779 CE1 TYR A 51 -1.864 9.846 0.917 1.00 0.00 C ATOM 780 CE2 TYR A 51 0.375 10.621 1.433 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.808 10.742 0.698 1.00 0.00 C ATOM 782 OH TYR A 51 -0.932 11.743 -0.242 1.00 0.00 O ATOM 0 H TYR A 51 0.886 9.104 5.154 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.897 8.697 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.649 7.373 3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.914 6.726 3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -2.545 8.139 2.041 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.419 9.515 2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.778 9.939 0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.189 11.311 1.264 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.109 12.274 -0.265 1.00 0.00 H new ATOM 792 N GLY A 52 -2.459 6.955 6.485 1.00 0.00 N ATOM 793 CA GLY A 52 -2.845 5.806 7.342 1.00 0.00 C ATOM 794 C GLY A 52 -2.734 4.523 6.525 1.00 0.00 C ATOM 795 O GLY A 52 -2.788 3.431 7.053 1.00 0.00 O ATOM 0 H GLY A 52 -3.126 7.726 6.461 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.197 5.753 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.864 5.934 7.707 1.00 0.00 H new ATOM 799 N PHE A 53 -2.591 4.647 5.235 1.00 0.00 N ATOM 800 CA PHE A 53 -2.490 3.436 4.382 1.00 0.00 C ATOM 801 C PHE A 53 -1.694 3.769 3.111 1.00 0.00 C ATOM 802 O PHE A 53 -1.910 4.786 2.482 1.00 0.00 O ATOM 803 CB PHE A 53 -3.908 3.003 4.016 1.00 0.00 C ATOM 804 CG PHE A 53 -4.101 1.532 4.292 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.332 1.084 5.594 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.085 0.620 3.237 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.537 -0.273 5.840 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.294 -0.734 3.477 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.519 -1.187 4.779 1.00 0.00 C ATOM 0 H PHE A 53 -2.540 5.536 4.737 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.977 2.633 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.631 3.584 4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.097 3.209 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.352 1.789 6.412 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.910 0.967 2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.710 -0.619 6.848 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.282 -1.436 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.679 -2.238 4.967 1.00 0.00 H new ATOM 819 N VAL A 54 -0.769 2.928 2.728 1.00 0.00 N ATOM 820 CA VAL A 54 0.029 3.216 1.494 1.00 0.00 C ATOM 821 C VAL A 54 0.062 1.980 0.594 1.00 0.00 C ATOM 822 O VAL A 54 0.571 0.939 0.964 1.00 0.00 O ATOM 823 CB VAL A 54 1.455 3.618 1.875 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.293 3.794 0.603 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.427 4.942 2.644 1.00 0.00 C ATOM 0 H VAL A 54 -0.531 2.061 3.210 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.440 4.038 0.954 1.00 0.00 H new ATOM 0 HB VAL A 54 1.893 2.840 2.501 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.309 4.080 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.316 2.855 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.850 4.572 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.444 5.227 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.987 5.718 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.830 4.825 3.548 1.00 0.00 H new ATOM 835 N ILE A 55 -0.479 2.098 -0.592 1.00 0.00 N ATOM 836 CA ILE A 55 -0.487 0.949 -1.544 1.00 0.00 C ATOM 837 C ILE A 55 0.594 1.173 -2.602 1.00 0.00 C ATOM 838 O ILE A 55 0.570 2.148 -3.328 1.00 0.00 O ATOM 839 CB ILE A 55 -1.854 0.858 -2.228 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.941 0.632 -1.174 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.854 -0.312 -3.214 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.306 1.000 -1.759 1.00 0.00 C ATOM 0 H ILE A 55 -0.919 2.949 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.292 0.023 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.053 1.787 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.940 -0.410 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.737 1.237 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.827 -0.377 -3.701 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.081 -0.154 -3.966 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.654 -1.240 -2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.079 0.839 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.303 2.048 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.509 0.375 -2.629 1.00 0.00 H new ATOM 854 N SER A 56 1.544 0.283 -2.690 1.00 0.00 N ATOM 855 CA SER A 56 2.632 0.443 -3.697 1.00 0.00 C ATOM 856 C SER A 56 2.984 -0.925 -4.280 1.00 0.00 C ATOM 857 O SER A 56 2.962 -1.926 -3.595 1.00 0.00 O ATOM 858 CB SER A 56 3.866 1.040 -3.020 1.00 0.00 C ATOM 859 OG SER A 56 4.603 0.001 -2.388 1.00 0.00 O ATOM 0 H SER A 56 1.614 -0.551 -2.106 1.00 0.00 H new ATOM 0 HA SER A 56 2.298 1.106 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.489 1.548 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.566 1.788 -2.286 1.00 0.00 H new ATOM 0 HG SER A 56 4.802 0.257 -1.463 1.00 0.00 H new ATOM 865 N ASP A 57 3.308 -0.982 -5.540 1.00 0.00 N ATOM 866 CA ASP A 57 3.658 -2.292 -6.151 1.00 0.00 C ATOM 867 C ASP A 57 4.876 -2.876 -5.429 1.00 0.00 C ATOM 868 O ASP A 57 4.807 -3.242 -4.272 1.00 0.00 O ATOM 869 CB ASP A 57 3.989 -2.095 -7.633 1.00 0.00 C ATOM 870 CG ASP A 57 4.915 -0.888 -7.794 1.00 0.00 C ATOM 871 OD1 ASP A 57 4.420 0.225 -7.735 1.00 0.00 O ATOM 872 OD2 ASP A 57 6.103 -1.098 -7.973 1.00 0.00 O ATOM 0 H ASP A 57 3.346 -0.181 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 57 2.814 -2.975 -6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.468 -2.990 -8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.073 -1.943 -8.204 1.00 0.00 H new ATOM 877 N TRP A 58 5.990 -2.963 -6.103 1.00 0.00 N ATOM 878 CA TRP A 58 7.216 -3.523 -5.463 1.00 0.00 C ATOM 879 C TRP A 58 8.392 -3.362 -6.425 1.00 0.00 C ATOM 880 O TRP A 58 9.522 -3.172 -6.018 1.00 0.00 O ATOM 881 CB TRP A 58 6.999 -5.011 -5.161 1.00 0.00 C ATOM 882 CG TRP A 58 8.239 -5.602 -4.567 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.379 -5.869 -5.246 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.479 -6.013 -3.189 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.303 -6.414 -4.372 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.796 -6.522 -3.092 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.691 -5.992 -2.025 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.311 -6.996 -1.885 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.206 -6.467 -0.808 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.513 -6.968 -0.738 1.00 0.00 C ATOM 0 H TRP A 58 6.105 -2.669 -7.073 1.00 0.00 H new ATOM 0 HA TRP A 58 7.425 -2.995 -4.533 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.163 -5.132 -4.472 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.737 -5.541 -6.076 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.541 -5.686 -6.298 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.244 -6.701 -4.641 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.682 -5.608 -2.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.319 -7.382 -1.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.591 -6.446 0.080 1.00 0.00 H new ATOM 0 HH2 TRP A 58 9.903 -7.332 0.201 1.00 0.00 H new ATOM 901 N ASN A 59 8.134 -3.439 -7.704 1.00 0.00 N ATOM 902 CA ASN A 59 9.230 -3.293 -8.700 1.00 0.00 C ATOM 903 C ASN A 59 9.291 -1.843 -9.185 1.00 0.00 C ATOM 904 O ASN A 59 9.168 -1.567 -10.362 1.00 0.00 O ATOM 905 CB ASN A 59 8.964 -4.214 -9.893 1.00 0.00 C ATOM 906 CG ASN A 59 8.431 -5.557 -9.393 1.00 0.00 C ATOM 907 OD1 ASN A 59 9.162 -6.337 -8.816 1.00 0.00 O ATOM 908 ND2 ASN A 59 7.178 -5.862 -9.592 1.00 0.00 N ATOM 0 H ASN A 59 7.208 -3.597 -8.101 1.00 0.00 H new ATOM 0 HA ASN A 59 10.178 -3.563 -8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.243 -3.753 -10.568 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.882 -4.364 -10.462 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.812 -6.755 -9.263 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.564 -5.207 -10.076 1.00 0.00 H new ATOM 915 N MET A 60 9.484 -0.915 -8.287 1.00 0.00 N ATOM 916 CA MET A 60 9.559 0.515 -8.698 1.00 0.00 C ATOM 917 C MET A 60 10.516 0.630 -9.900 1.00 0.00 C ATOM 918 O MET A 60 11.328 -0.249 -10.106 1.00 0.00 O ATOM 919 CB MET A 60 10.061 1.342 -7.496 1.00 0.00 C ATOM 920 CG MET A 60 11.511 1.804 -7.704 1.00 0.00 C ATOM 921 SD MET A 60 12.119 2.564 -6.178 1.00 0.00 S ATOM 922 CE MET A 60 11.527 4.244 -6.502 1.00 0.00 C ATOM 0 H MET A 60 9.593 -1.086 -7.287 1.00 0.00 H new ATOM 0 HA MET A 60 8.582 0.896 -8.997 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.417 2.210 -7.355 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.994 0.744 -6.587 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.139 0.957 -7.978 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.563 2.518 -8.526 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.455 4.792 -5.563 1.00 0.00 H new ATOM 0 HE2 MET A 60 12.224 4.754 -7.167 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.544 4.199 -6.972 1.00 0.00 H new ATOM 932 N PRO A 61 10.408 1.696 -10.667 1.00 0.00 N ATOM 933 CA PRO A 61 11.283 1.887 -11.840 1.00 0.00 C ATOM 934 C PRO A 61 12.758 1.818 -11.427 1.00 0.00 C ATOM 935 O PRO A 61 13.550 1.130 -12.040 1.00 0.00 O ATOM 936 CB PRO A 61 10.926 3.278 -12.379 1.00 0.00 C ATOM 937 CG PRO A 61 9.811 3.861 -11.474 1.00 0.00 C ATOM 938 CD PRO A 61 9.435 2.785 -10.443 1.00 0.00 C ATOM 0 HA PRO A 61 11.139 1.113 -12.594 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.802 3.927 -12.373 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.585 3.212 -13.412 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.158 4.765 -10.974 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.942 4.140 -12.070 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.500 3.171 -9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.412 2.438 -10.588 1.00 0.00 H new ATOM 946 N ASN A 62 13.134 2.525 -10.397 1.00 0.00 N ATOM 947 CA ASN A 62 14.557 2.496 -9.954 1.00 0.00 C ATOM 948 C ASN A 62 14.825 1.221 -9.147 1.00 0.00 C ATOM 949 O ASN A 62 15.029 0.158 -9.700 1.00 0.00 O ATOM 950 CB ASN A 62 14.844 3.720 -9.081 1.00 0.00 C ATOM 951 CG ASN A 62 15.093 4.936 -9.975 1.00 0.00 C ATOM 952 OD1 ASN A 62 14.533 4.990 -11.153 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 15.803 5.846 -9.596 1.00 0.00 N flip ATOM 0 H ASN A 62 12.518 3.121 -9.843 1.00 0.00 H new ATOM 0 HA ASN A 62 15.206 2.510 -10.830 1.00 0.00 H new ATOM 0 HB2 ASN A 62 14.002 3.911 -8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.713 3.535 -8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 62 16.240 5.803 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 62 15.962 6.654 -10.198 1.00 0.00 H new ATOM 960 N MET A 63 14.835 1.319 -7.845 1.00 0.00 N ATOM 961 CA MET A 63 15.100 0.114 -7.005 1.00 0.00 C ATOM 962 C MET A 63 13.780 -0.581 -6.661 1.00 0.00 C ATOM 963 O MET A 63 13.129 -1.151 -7.513 1.00 0.00 O ATOM 964 CB MET A 63 15.803 0.538 -5.714 1.00 0.00 C ATOM 965 CG MET A 63 17.123 1.233 -6.055 1.00 0.00 C ATOM 966 SD MET A 63 18.497 0.087 -5.781 1.00 0.00 S ATOM 967 CE MET A 63 19.825 1.199 -6.304 1.00 0.00 C ATOM 0 H MET A 63 14.671 2.182 -7.326 1.00 0.00 H new ATOM 0 HA MET A 63 15.736 -0.577 -7.559 1.00 0.00 H new ATOM 0 HB2 MET A 63 15.163 1.210 -5.143 1.00 0.00 H new ATOM 0 HB3 MET A 63 15.990 -0.333 -5.086 1.00 0.00 H new ATOM 0 HG2 MET A 63 17.114 1.565 -7.093 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.248 2.122 -5.437 1.00 0.00 H new ATOM 0 HE1 MET A 63 20.784 0.688 -6.215 1.00 0.00 H new ATOM 0 HE2 MET A 63 19.666 1.494 -7.341 1.00 0.00 H new ATOM 0 HE3 MET A 63 19.827 2.086 -5.671 1.00 0.00 H new ATOM 977 N ASP A 64 13.383 -0.538 -5.415 1.00 0.00 N ATOM 978 CA ASP A 64 12.105 -1.198 -5.013 1.00 0.00 C ATOM 979 C ASP A 64 11.410 -0.353 -3.946 1.00 0.00 C ATOM 980 O ASP A 64 11.859 0.724 -3.604 1.00 0.00 O ATOM 981 CB ASP A 64 12.404 -2.589 -4.448 1.00 0.00 C ATOM 982 CG ASP A 64 13.734 -2.557 -3.693 1.00 0.00 C ATOM 983 OD1 ASP A 64 13.764 -2.002 -2.607 1.00 0.00 O ATOM 984 OD2 ASP A 64 14.701 -3.089 -4.213 1.00 0.00 O ATOM 0 H ASP A 64 13.888 -0.075 -4.659 1.00 0.00 H new ATOM 0 HA ASP A 64 11.455 -1.292 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.602 -2.902 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.449 -3.319 -5.256 1.00 0.00 H new ATOM 989 N GLY A 65 10.315 -0.829 -3.413 1.00 0.00 N ATOM 990 CA GLY A 65 9.595 -0.044 -2.368 1.00 0.00 C ATOM 991 C GLY A 65 10.078 -0.471 -0.978 1.00 0.00 C ATOM 992 O GLY A 65 9.488 -0.128 0.026 1.00 0.00 O ATOM 0 H GLY A 65 9.890 -1.724 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.772 1.022 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.520 -0.204 -2.455 1.00 0.00 H new ATOM 996 N LEU A 66 11.151 -1.212 -0.903 1.00 0.00 N ATOM 997 CA LEU A 66 11.656 -1.636 0.433 1.00 0.00 C ATOM 998 C LEU A 66 12.224 -0.411 1.150 1.00 0.00 C ATOM 999 O LEU A 66 11.725 0.001 2.178 1.00 0.00 O ATOM 1000 CB LEU A 66 12.756 -2.691 0.268 1.00 0.00 C ATOM 1001 CG LEU A 66 12.504 -3.870 1.218 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.364 -3.366 2.658 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.222 -4.601 0.808 1.00 0.00 C ATOM 0 H LEU A 66 11.695 -1.539 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 66 10.841 -2.068 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.780 -3.044 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.730 -2.248 0.476 1.00 0.00 H new ATOM 0 HG LEU A 66 13.349 -4.556 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.185 -4.211 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.280 -2.857 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.526 -2.671 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.047 -5.437 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.379 -3.912 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.326 -4.975 -0.211 1.00 0.00 H new ATOM 1015 N GLU A 67 13.251 0.187 0.607 1.00 0.00 N ATOM 1016 CA GLU A 67 13.827 1.396 1.256 1.00 0.00 C ATOM 1017 C GLU A 67 12.685 2.357 1.580 1.00 0.00 C ATOM 1018 O GLU A 67 12.669 3.006 2.606 1.00 0.00 O ATOM 1019 CB GLU A 67 14.812 2.077 0.301 1.00 0.00 C ATOM 1020 CG GLU A 67 15.169 3.463 0.843 1.00 0.00 C ATOM 1021 CD GLU A 67 16.431 3.976 0.148 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.347 4.304 -1.024 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.462 4.033 0.800 1.00 0.00 O ATOM 0 H GLU A 67 13.712 -0.109 -0.253 1.00 0.00 H new ATOM 0 HA GLU A 67 14.356 1.115 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.713 1.472 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.371 2.165 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.343 4.154 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.329 3.413 1.920 1.00 0.00 H new ATOM 1030 N LEU A 68 11.718 2.432 0.708 1.00 0.00 N ATOM 1031 CA LEU A 68 10.553 3.326 0.947 1.00 0.00 C ATOM 1032 C LEU A 68 9.901 2.935 2.274 1.00 0.00 C ATOM 1033 O LEU A 68 9.532 3.773 3.072 1.00 0.00 O ATOM 1034 CB LEU A 68 9.552 3.142 -0.198 1.00 0.00 C ATOM 1035 CG LEU A 68 8.445 4.192 -0.107 1.00 0.00 C ATOM 1036 CD1 LEU A 68 8.887 5.466 -0.827 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.184 3.640 -0.778 1.00 0.00 C ATOM 0 H LEU A 68 11.686 1.908 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 68 10.870 4.368 0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.065 3.226 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.119 2.142 -0.155 1.00 0.00 H new ATOM 0 HG LEU A 68 8.240 4.423 0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.097 6.214 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.792 5.853 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.087 5.241 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.387 4.381 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.396 3.417 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.870 2.728 -0.269 1.00 0.00 H new ATOM 1049 N LEU A 69 9.766 1.660 2.510 1.00 0.00 N ATOM 1050 CA LEU A 69 9.150 1.184 3.780 1.00 0.00 C ATOM 1051 C LEU A 69 10.156 1.346 4.917 1.00 0.00 C ATOM 1052 O LEU A 69 9.940 2.084 5.854 1.00 0.00 O ATOM 1053 CB LEU A 69 8.809 -0.293 3.633 1.00 0.00 C ATOM 1054 CG LEU A 69 7.291 -0.506 3.627 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.981 -1.932 3.173 1.00 0.00 C ATOM 1056 CD2 LEU A 69 6.720 -0.325 5.032 1.00 0.00 C ATOM 0 H LEU A 69 10.059 0.921 1.871 1.00 0.00 H new ATOM 0 HA LEU A 69 8.251 1.761 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.238 -0.679 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.256 -0.857 4.452 1.00 0.00 H new ATOM 0 HG LEU A 69 6.845 0.223 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.902 -2.086 3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.374 -2.088 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.445 -2.641 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.641 -0.480 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.176 -1.050 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.934 0.684 5.385 1.00 0.00 H new ATOM 1068 N LYS A 70 11.252 0.643 4.835 1.00 0.00 N ATOM 1069 CA LYS A 70 12.295 0.734 5.902 1.00 0.00 C ATOM 1070 C LYS A 70 12.453 2.188 6.357 1.00 0.00 C ATOM 1071 O LYS A 70 12.688 2.460 7.519 1.00 0.00 O ATOM 1072 CB LYS A 70 13.629 0.225 5.353 1.00 0.00 C ATOM 1073 CG LYS A 70 14.741 0.510 6.364 1.00 0.00 C ATOM 1074 CD LYS A 70 15.906 -0.454 6.124 1.00 0.00 C ATOM 1075 CE LYS A 70 17.160 0.077 6.821 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.859 0.335 8.258 1.00 0.00 N ATOM 0 H LYS A 70 11.473 0.005 4.071 1.00 0.00 H new ATOM 0 HA LYS A 70 11.991 0.124 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.568 -0.845 5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.853 0.712 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.081 1.541 6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.362 0.395 7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.657 -1.444 6.505 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.089 -0.561 5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.972 -0.645 6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.496 0.995 6.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.747 0.364 8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.367 1.246 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.253 -0.425 8.628 1.00 0.00 H new ATOM 1090 N THR A 71 12.313 3.128 5.460 1.00 0.00 N ATOM 1091 CA THR A 71 12.442 4.558 5.862 1.00 0.00 C ATOM 1092 C THR A 71 11.197 4.958 6.652 1.00 0.00 C ATOM 1093 O THR A 71 11.268 5.701 7.610 1.00 0.00 O ATOM 1094 CB THR A 71 12.570 5.442 4.618 1.00 0.00 C ATOM 1095 OG1 THR A 71 13.540 4.886 3.741 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.005 6.848 5.035 1.00 0.00 C ATOM 0 H THR A 71 12.116 2.968 4.472 1.00 0.00 H new ATOM 0 HA THR A 71 13.332 4.689 6.477 1.00 0.00 H new ATOM 0 HB THR A 71 11.608 5.496 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.089 4.374 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.096 7.478 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.262 7.274 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.968 6.795 5.544 1.00 0.00 H new ATOM 1104 N ILE A 72 10.055 4.456 6.264 1.00 0.00 N ATOM 1105 CA ILE A 72 8.804 4.788 7.001 1.00 0.00 C ATOM 1106 C ILE A 72 8.943 4.298 8.445 1.00 0.00 C ATOM 1107 O ILE A 72 8.266 4.765 9.340 1.00 0.00 O ATOM 1108 CB ILE A 72 7.613 4.093 6.328 1.00 0.00 C ATOM 1109 CG1 ILE A 72 7.310 4.786 4.987 1.00 0.00 C ATOM 1110 CG2 ILE A 72 6.387 4.187 7.238 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.558 3.838 4.034 1.00 0.00 C ATOM 0 H ILE A 72 9.936 3.830 5.468 1.00 0.00 H new ATOM 0 HA ILE A 72 8.637 5.865 6.991 1.00 0.00 H new ATOM 0 HB ILE A 72 7.854 3.045 6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.712 5.680 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.241 5.111 4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.541 3.693 6.760 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.602 3.700 8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.144 5.235 7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.356 4.352 3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.169 2.956 3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.616 3.534 4.491 1.00 0.00 H new ATOM 1123 N ARG A 73 9.825 3.360 8.677 1.00 0.00 N ATOM 1124 CA ARG A 73 10.023 2.838 10.061 1.00 0.00 C ATOM 1125 C ARG A 73 11.075 3.688 10.777 1.00 0.00 C ATOM 1126 O ARG A 73 11.474 3.392 11.885 1.00 0.00 O ATOM 1127 CB ARG A 73 10.508 1.385 9.993 1.00 0.00 C ATOM 1128 CG ARG A 73 9.343 0.424 10.254 1.00 0.00 C ATOM 1129 CD ARG A 73 9.142 0.263 11.763 1.00 0.00 C ATOM 1130 NE ARG A 73 10.057 -0.798 12.274 1.00 0.00 N ATOM 1131 CZ ARG A 73 10.763 -0.589 13.351 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.330 0.229 14.271 1.00 0.00 N ATOM 1133 NH2 ARG A 73 11.907 -1.198 13.509 1.00 0.00 N ATOM 0 H ARG A 73 10.418 2.933 7.965 1.00 0.00 H new ATOM 0 HA ARG A 73 9.080 2.884 10.606 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.942 1.184 9.013 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.295 1.222 10.729 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.432 0.807 9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.548 -0.545 9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.342 1.207 12.270 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.106 -0.001 11.977 1.00 0.00 H new ATOM 0 HE ARG A 73 10.131 -1.688 11.781 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.437 0.707 14.149 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.884 0.390 15.112 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.248 -1.837 12.791 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.460 -1.035 14.351 1.00 0.00 H new ATOM 1147 N ALA A 74 11.524 4.741 10.143 1.00 0.00 N ATOM 1148 CA ALA A 74 12.554 5.627 10.763 1.00 0.00 C ATOM 1149 C ALA A 74 12.007 7.051 10.852 1.00 0.00 C ATOM 1150 O ALA A 74 12.478 7.863 11.622 1.00 0.00 O ATOM 1151 CB ALA A 74 13.803 5.629 9.885 1.00 0.00 C ATOM 0 H ALA A 74 11.218 5.027 9.213 1.00 0.00 H new ATOM 0 HA ALA A 74 12.800 5.263 11.761 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.560 6.274 10.331 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.193 4.614 9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.549 6.000 8.892 1.00 0.00 H new ATOM 1157 N ASP A 75 11.023 7.354 10.057 1.00 0.00 N ATOM 1158 CA ASP A 75 10.433 8.723 10.068 1.00 0.00 C ATOM 1159 C ASP A 75 9.880 9.050 11.459 1.00 0.00 C ATOM 1160 O ASP A 75 10.467 8.721 12.469 1.00 0.00 O ATOM 1161 CB ASP A 75 9.296 8.791 9.047 1.00 0.00 C ATOM 1162 CG ASP A 75 9.819 8.372 7.671 1.00 0.00 C ATOM 1163 OD1 ASP A 75 11.011 8.138 7.557 1.00 0.00 O ATOM 1164 OD2 ASP A 75 9.018 8.292 6.754 1.00 0.00 O ATOM 0 H ASP A 75 10.597 6.708 9.393 1.00 0.00 H new ATOM 0 HA ASP A 75 11.208 9.446 9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.480 8.136 9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.894 9.803 9.002 1.00 0.00 H new ATOM 1169 N GLY A 76 8.751 9.706 11.514 1.00 0.00 N ATOM 1170 CA GLY A 76 8.156 10.066 12.832 1.00 0.00 C ATOM 1171 C GLY A 76 7.981 8.809 13.685 1.00 0.00 C ATOM 1172 O GLY A 76 8.507 7.757 13.377 1.00 0.00 O ATOM 0 H GLY A 76 8.215 10.008 10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.798 10.780 13.348 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.192 10.553 12.685 1.00 0.00 H new ATOM 1176 N ALA A 77 7.247 8.910 14.758 1.00 0.00 N ATOM 1177 CA ALA A 77 7.039 7.725 15.635 1.00 0.00 C ATOM 1178 C ALA A 77 5.895 6.870 15.084 1.00 0.00 C ATOM 1179 O ALA A 77 4.984 6.503 15.801 1.00 0.00 O ATOM 1180 CB ALA A 77 6.691 8.192 17.049 1.00 0.00 C ATOM 0 H ALA A 77 6.782 9.764 15.066 1.00 0.00 H new ATOM 0 HA ALA A 77 7.953 7.131 15.662 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.539 7.325 17.691 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.507 8.797 17.444 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.779 8.788 17.021 1.00 0.00 H new ATOM 1186 N MET A 78 5.936 6.545 13.822 1.00 0.00 N ATOM 1187 CA MET A 78 4.852 5.709 13.236 1.00 0.00 C ATOM 1188 C MET A 78 5.232 4.237 13.371 1.00 0.00 C ATOM 1189 O MET A 78 4.652 3.501 14.145 1.00 0.00 O ATOM 1190 CB MET A 78 4.681 6.058 11.755 1.00 0.00 C ATOM 1191 CG MET A 78 4.619 7.577 11.591 1.00 0.00 C ATOM 1192 SD MET A 78 6.156 8.168 10.841 1.00 0.00 S ATOM 1193 CE MET A 78 5.574 8.208 9.128 1.00 0.00 C ATOM 0 H MET A 78 6.672 6.822 13.172 1.00 0.00 H new ATOM 0 HA MET A 78 3.916 5.898 13.761 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.512 5.653 11.177 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.770 5.602 11.366 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.769 7.851 10.967 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.469 8.052 12.561 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.361 8.602 8.485 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.315 7.199 8.808 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.694 8.848 9.057 1.00 0.00 H new ATOM 1203 N SER A 79 6.211 3.809 12.627 1.00 0.00 N ATOM 1204 CA SER A 79 6.652 2.387 12.702 1.00 0.00 C ATOM 1205 C SER A 79 5.436 1.460 12.719 1.00 0.00 C ATOM 1206 O SER A 79 5.530 0.310 13.101 1.00 0.00 O ATOM 1207 CB SER A 79 7.468 2.174 13.977 1.00 0.00 C ATOM 1208 OG SER A 79 7.640 0.779 14.196 1.00 0.00 O ATOM 0 H SER A 79 6.729 4.386 11.965 1.00 0.00 H new ATOM 0 HA SER A 79 7.264 2.158 11.829 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.438 2.662 13.888 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.960 2.628 14.828 1.00 0.00 H new ATOM 0 HG SER A 79 6.767 0.362 14.353 1.00 0.00 H new ATOM 1214 N ALA A 80 4.294 1.949 12.315 1.00 0.00 N ATOM 1215 CA ALA A 80 3.078 1.085 12.320 1.00 0.00 C ATOM 1216 C ALA A 80 2.160 1.441 11.144 1.00 0.00 C ATOM 1217 O ALA A 80 1.147 0.807 10.934 1.00 0.00 O ATOM 1218 CB ALA A 80 2.318 1.288 13.633 1.00 0.00 C ATOM 0 H ALA A 80 4.151 2.903 11.984 1.00 0.00 H new ATOM 0 HA ALA A 80 3.387 0.044 12.223 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.429 0.658 13.640 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.961 1.018 14.471 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.023 2.333 13.725 1.00 0.00 H new ATOM 1224 N LEU A 81 2.495 2.442 10.373 1.00 0.00 N ATOM 1225 CA LEU A 81 1.619 2.810 9.224 1.00 0.00 C ATOM 1226 C LEU A 81 1.396 1.559 8.337 1.00 0.00 C ATOM 1227 O LEU A 81 2.343 1.079 7.745 1.00 0.00 O ATOM 1228 CB LEU A 81 2.302 3.900 8.391 1.00 0.00 C ATOM 1229 CG LEU A 81 1.237 4.837 7.794 1.00 0.00 C ATOM 1230 CD1 LEU A 81 0.636 5.752 8.876 1.00 0.00 C ATOM 1231 CD2 LEU A 81 1.878 5.701 6.707 1.00 0.00 C ATOM 0 H LEU A 81 3.330 3.016 10.488 1.00 0.00 H new ATOM 0 HA LEU A 81 0.663 3.179 9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.993 4.468 9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.891 3.447 7.593 1.00 0.00 H new ATOM 0 HG LEU A 81 0.438 4.227 7.373 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.113 6.403 8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.170 5.142 9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.426 6.359 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.127 6.366 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.684 6.293 7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.281 5.060 5.923 1.00 0.00 H new ATOM 1243 N PRO A 82 0.175 1.039 8.259 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.093 -0.163 7.440 1.00 0.00 C ATOM 1245 C PRO A 82 0.220 0.061 5.956 1.00 0.00 C ATOM 1246 O PRO A 82 -0.077 1.096 5.383 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.590 -0.445 7.614 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.159 0.617 8.584 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.020 1.574 8.955 1.00 0.00 C ATOM 0 HA PRO A 82 0.539 -0.991 7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.102 -0.399 6.653 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.747 -1.448 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.978 1.162 8.115 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.563 0.141 9.477 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.240 2.592 8.634 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.867 1.606 10.034 1.00 0.00 H new ATOM 1257 N VAL A 83 0.788 -0.937 5.331 1.00 0.00 N ATOM 1258 CA VAL A 83 1.104 -0.850 3.880 1.00 0.00 C ATOM 1259 C VAL A 83 0.565 -2.081 3.195 1.00 0.00 C ATOM 1260 O VAL A 83 0.881 -3.191 3.579 1.00 0.00 O ATOM 1261 CB VAL A 83 2.617 -0.831 3.643 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.917 -1.369 2.224 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.135 0.601 3.737 1.00 0.00 C ATOM 0 H VAL A 83 1.049 -1.819 5.773 1.00 0.00 H new ATOM 0 HA VAL A 83 0.660 0.066 3.491 1.00 0.00 H new ATOM 0 HB VAL A 83 3.105 -1.451 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.993 -1.357 2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.546 -2.390 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.423 -0.739 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.212 0.610 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.644 1.216 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.920 1.001 4.728 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.193 -1.901 2.159 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.699 -3.073 1.416 1.00 0.00 C ATOM 1275 C LEU A 84 0.037 -3.129 0.083 1.00 0.00 C ATOM 1276 O LEU A 84 -0.466 -2.730 -0.948 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.210 -2.954 1.220 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.733 -4.123 0.383 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.379 -5.450 1.060 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.254 -4.010 0.252 1.00 0.00 C ATOM 0 H LEU A 84 -0.483 -0.993 1.796 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.519 -3.995 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.709 -2.940 2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.446 -2.011 0.727 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.273 -4.092 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.755 -6.277 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.296 -5.533 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.834 -5.486 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.631 -4.841 -0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.708 -4.039 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.508 -3.069 -0.236 1.00 0.00 H new ATOM 1292 N MET A 85 1.250 -3.610 0.110 1.00 0.00 N ATOM 1293 CA MET A 85 2.046 -3.688 -1.138 1.00 0.00 C ATOM 1294 C MET A 85 1.471 -4.808 -2.013 1.00 0.00 C ATOM 1295 O MET A 85 1.215 -5.893 -1.534 1.00 0.00 O ATOM 1296 CB MET A 85 3.501 -4.008 -0.797 1.00 0.00 C ATOM 1297 CG MET A 85 4.315 -2.714 -0.769 1.00 0.00 C ATOM 1298 SD MET A 85 5.885 -3.006 0.082 1.00 0.00 S ATOM 1299 CE MET A 85 6.910 -1.949 -0.970 1.00 0.00 C ATOM 0 H MET A 85 1.721 -3.952 0.947 1.00 0.00 H new ATOM 0 HA MET A 85 2.003 -2.737 -1.668 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.558 -4.507 0.171 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.916 -4.695 -1.534 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.499 -2.366 -1.785 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.754 -1.930 -0.260 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.900 -2.393 -1.077 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.447 -1.854 -1.952 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.002 -0.963 -0.515 1.00 0.00 H new ATOM 1309 N VAL A 86 1.245 -4.561 -3.278 1.00 0.00 N ATOM 1310 CA VAL A 86 0.670 -5.620 -4.152 1.00 0.00 C ATOM 1311 C VAL A 86 1.693 -6.056 -5.201 1.00 0.00 C ATOM 1312 O VAL A 86 2.418 -5.252 -5.750 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.586 -5.067 -4.819 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.322 -4.154 -3.834 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.219 -4.269 -6.070 1.00 0.00 C ATOM 0 H VAL A 86 1.435 -3.672 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 86 0.412 -6.496 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.228 -5.899 -5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.220 -3.757 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.601 -4.724 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.670 -3.330 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.126 -3.882 -6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.431 -3.438 -5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.301 -4.917 -6.776 1.00 0.00 H new ATOM 1325 N THR A 87 1.759 -7.333 -5.479 1.00 0.00 N ATOM 1326 CA THR A 87 2.740 -7.826 -6.492 1.00 0.00 C ATOM 1327 C THR A 87 2.185 -9.078 -7.178 1.00 0.00 C ATOM 1328 O THR A 87 1.170 -9.615 -6.784 1.00 0.00 O ATOM 1329 CB THR A 87 4.064 -8.163 -5.803 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.946 -8.763 -6.741 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.810 -9.132 -4.649 1.00 0.00 C ATOM 0 H THR A 87 1.178 -8.053 -5.050 1.00 0.00 H new ATOM 0 HA THR A 87 2.909 -7.050 -7.238 1.00 0.00 H new ATOM 0 HB THR A 87 4.513 -7.249 -5.414 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.795 -8.978 -6.301 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.754 -9.371 -4.160 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.134 -8.671 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.360 -10.047 -5.034 1.00 0.00 H new ATOM 1339 N ALA A 88 2.839 -9.540 -8.209 1.00 0.00 N ATOM 1340 CA ALA A 88 2.345 -10.751 -8.924 1.00 0.00 C ATOM 1341 C ALA A 88 3.015 -12.002 -8.350 1.00 0.00 C ATOM 1342 O ALA A 88 2.495 -12.647 -7.460 1.00 0.00 O ATOM 1343 CB ALA A 88 2.682 -10.634 -10.411 1.00 0.00 C ATOM 0 H ALA A 88 3.694 -9.131 -8.587 1.00 0.00 H new ATOM 0 HA ALA A 88 1.265 -10.829 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.322 -11.518 -10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.203 -9.746 -10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.762 -10.554 -10.534 1.00 0.00 H new ATOM 1349 N GLU A 89 4.164 -12.356 -8.857 1.00 0.00 N ATOM 1350 CA GLU A 89 4.867 -13.569 -8.349 1.00 0.00 C ATOM 1351 C GLU A 89 4.878 -13.561 -6.819 1.00 0.00 C ATOM 1352 O GLU A 89 4.273 -14.399 -6.181 1.00 0.00 O ATOM 1353 CB GLU A 89 6.308 -13.589 -8.870 1.00 0.00 C ATOM 1354 CG GLU A 89 6.590 -12.323 -9.682 1.00 0.00 C ATOM 1355 CD GLU A 89 8.064 -12.301 -10.091 1.00 0.00 C ATOM 1356 OE1 GLU A 89 8.708 -13.330 -9.963 1.00 0.00 O ATOM 1357 OE2 GLU A 89 8.524 -11.258 -10.524 1.00 0.00 O ATOM 0 H GLU A 89 4.648 -11.856 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 89 4.342 -14.457 -8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.004 -13.657 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.467 -14.471 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.955 -12.296 -10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.351 -11.438 -9.092 1.00 0.00 H new ATOM 1364 N ALA A 90 5.568 -12.627 -6.223 1.00 0.00 N ATOM 1365 CA ALA A 90 5.622 -12.576 -4.735 1.00 0.00 C ATOM 1366 C ALA A 90 6.397 -13.791 -4.218 1.00 0.00 C ATOM 1367 O ALA A 90 5.871 -14.883 -4.124 1.00 0.00 O ATOM 1368 CB ALA A 90 4.200 -12.591 -4.167 1.00 0.00 C ATOM 0 H ALA A 90 6.096 -11.898 -6.702 1.00 0.00 H new ATOM 0 HA ALA A 90 6.123 -11.661 -4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.243 -12.554 -3.078 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.651 -11.726 -4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.693 -13.504 -4.479 1.00 0.00 H new ATOM 1374 N LYS A 91 7.645 -13.611 -3.884 1.00 0.00 N ATOM 1375 CA LYS A 91 8.455 -14.756 -3.375 1.00 0.00 C ATOM 1376 C LYS A 91 8.435 -14.746 -1.846 1.00 0.00 C ATOM 1377 O LYS A 91 8.857 -13.796 -1.219 1.00 0.00 O ATOM 1378 CB LYS A 91 9.896 -14.621 -3.871 1.00 0.00 C ATOM 1379 CG LYS A 91 10.075 -15.444 -5.150 1.00 0.00 C ATOM 1380 CD LYS A 91 11.279 -14.921 -5.936 1.00 0.00 C ATOM 1381 CE LYS A 91 11.422 -15.714 -7.236 1.00 0.00 C ATOM 1382 NZ LYS A 91 12.824 -15.613 -7.729 1.00 0.00 N ATOM 0 H LYS A 91 8.140 -12.721 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 91 8.035 -15.694 -3.739 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.129 -13.574 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.590 -14.966 -3.104 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.220 -16.495 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.175 -15.383 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.151 -13.861 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.186 -15.015 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.159 -16.758 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.733 -15.328 -7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.921 -16.152 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.059 -14.615 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.472 -16.001 -7.014 1.00 0.00 H new ATOM 1396 N LYS A 92 7.937 -15.795 -1.243 1.00 0.00 N ATOM 1397 CA LYS A 92 7.875 -15.850 0.250 1.00 0.00 C ATOM 1398 C LYS A 92 9.189 -15.336 0.848 1.00 0.00 C ATOM 1399 O LYS A 92 9.193 -14.495 1.725 1.00 0.00 O ATOM 1400 CB LYS A 92 7.638 -17.294 0.712 1.00 0.00 C ATOM 1401 CG LYS A 92 8.268 -18.274 -0.287 1.00 0.00 C ATOM 1402 CD LYS A 92 8.163 -19.708 0.245 1.00 0.00 C ATOM 1403 CE LYS A 92 6.825 -20.315 -0.181 1.00 0.00 C ATOM 1404 NZ LYS A 92 6.413 -21.352 0.808 1.00 0.00 N ATOM 0 H LYS A 92 7.570 -16.618 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 92 7.052 -15.221 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.069 -17.443 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.569 -17.486 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.764 -18.197 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.314 -18.015 -0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.986 -20.311 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.246 -19.711 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.065 -19.537 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.914 -20.758 -1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.503 -21.765 0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.135 -22.099 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.313 -20.916 1.747 1.00 0.00 H new ATOM 1418 N GLU A 93 10.302 -15.835 0.386 1.00 0.00 N ATOM 1419 CA GLU A 93 11.607 -15.377 0.933 1.00 0.00 C ATOM 1420 C GLU A 93 11.630 -13.846 1.000 1.00 0.00 C ATOM 1421 O GLU A 93 12.208 -13.264 1.896 1.00 0.00 O ATOM 1422 CB GLU A 93 12.738 -15.863 0.025 1.00 0.00 C ATOM 1423 CG GLU A 93 12.764 -17.393 0.014 1.00 0.00 C ATOM 1424 CD GLU A 93 13.964 -17.891 0.823 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.098 -17.475 1.962 1.00 0.00 O ATOM 1426 OE2 GLU A 93 14.728 -18.677 0.289 1.00 0.00 O ATOM 0 H GLU A 93 10.363 -16.541 -0.348 1.00 0.00 H new ATOM 0 HA GLU A 93 11.741 -15.785 1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.594 -15.484 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.694 -15.475 0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.839 -17.786 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.826 -17.759 -1.011 1.00 0.00 H new ATOM 1433 N ASN A 94 11.012 -13.191 0.055 1.00 0.00 N ATOM 1434 CA ASN A 94 11.007 -11.700 0.059 1.00 0.00 C ATOM 1435 C ASN A 94 9.866 -11.178 0.935 1.00 0.00 C ATOM 1436 O ASN A 94 10.013 -10.202 1.643 1.00 0.00 O ATOM 1437 CB ASN A 94 10.822 -11.189 -1.372 1.00 0.00 C ATOM 1438 CG ASN A 94 11.838 -10.081 -1.652 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.184 -9.321 -0.770 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.333 -9.956 -2.852 1.00 0.00 N ATOM 0 H ASN A 94 10.510 -13.624 -0.720 1.00 0.00 H new ATOM 0 HA ASN A 94 11.955 -11.343 0.460 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.954 -12.006 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.809 -10.811 -1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.011 -9.220 -3.050 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.042 -10.594 -3.593 1.00 0.00 H new ATOM 1447 N ILE A 95 8.729 -11.813 0.892 1.00 0.00 N ATOM 1448 CA ILE A 95 7.581 -11.343 1.724 1.00 0.00 C ATOM 1449 C ILE A 95 7.983 -11.340 3.203 1.00 0.00 C ATOM 1450 O ILE A 95 7.202 -10.988 4.064 1.00 0.00 O ATOM 1451 CB ILE A 95 6.379 -12.278 1.524 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.031 -12.389 0.031 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.168 -11.741 2.292 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.858 -10.997 -0.588 1.00 0.00 C ATOM 0 H ILE A 95 8.542 -12.636 0.319 1.00 0.00 H new ATOM 0 HA ILE A 95 7.309 -10.332 1.419 1.00 0.00 H new ATOM 0 HB ILE A 95 6.640 -13.266 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.819 -12.930 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.113 -12.964 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.319 -12.409 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.407 -11.684 3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.915 -10.747 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.612 -11.097 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.053 -10.469 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.786 -10.434 -0.483 1.00 0.00 H new ATOM 1466 N ILE A 96 9.193 -11.727 3.507 1.00 0.00 N ATOM 1467 CA ILE A 96 9.633 -11.740 4.931 1.00 0.00 C ATOM 1468 C ILE A 96 10.247 -10.386 5.289 1.00 0.00 C ATOM 1469 O ILE A 96 9.721 -9.650 6.100 1.00 0.00 O ATOM 1470 CB ILE A 96 10.676 -12.842 5.131 1.00 0.00 C ATOM 1471 CG1 ILE A 96 9.993 -14.211 5.063 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.340 -12.671 6.499 1.00 0.00 C ATOM 1473 CD1 ILE A 96 11.053 -15.311 4.968 1.00 0.00 C ATOM 0 H ILE A 96 9.894 -12.034 2.832 1.00 0.00 H new ATOM 0 HA ILE A 96 8.774 -11.930 5.575 1.00 0.00 H new ATOM 0 HB ILE A 96 11.431 -12.774 4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.374 -14.364 5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.330 -14.255 4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.083 -13.455 6.643 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.826 -11.697 6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 96 10.584 -12.739 7.281 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.564 -16.284 4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.653 -15.161 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.698 -15.272 5.846 1.00 0.00 H new ATOM 1485 N ALA A 97 11.358 -10.057 4.693 1.00 0.00 N ATOM 1486 CA ALA A 97 12.013 -8.752 4.996 1.00 0.00 C ATOM 1487 C ALA A 97 10.967 -7.639 4.978 1.00 0.00 C ATOM 1488 O ALA A 97 11.043 -6.688 5.730 1.00 0.00 O ATOM 1489 CB ALA A 97 13.079 -8.457 3.939 1.00 0.00 C ATOM 0 H ALA A 97 11.843 -10.636 4.007 1.00 0.00 H new ATOM 0 HA ALA A 97 12.477 -8.802 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.557 -7.503 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.828 -9.249 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.612 -8.409 2.955 1.00 0.00 H new ATOM 1495 N ALA A 98 9.994 -7.747 4.119 1.00 0.00 N ATOM 1496 CA ALA A 98 8.946 -6.693 4.042 1.00 0.00 C ATOM 1497 C ALA A 98 8.140 -6.664 5.344 1.00 0.00 C ATOM 1498 O ALA A 98 7.996 -5.634 5.970 1.00 0.00 O ATOM 1499 CB ALA A 98 8.010 -6.996 2.872 1.00 0.00 C ATOM 0 H ALA A 98 9.879 -8.521 3.465 1.00 0.00 H new ATOM 0 HA ALA A 98 9.421 -5.723 3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.241 -6.226 2.812 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.581 -7.011 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.540 -7.967 3.024 1.00 0.00 H new ATOM 1505 N ALA A 99 7.601 -7.779 5.751 1.00 0.00 N ATOM 1506 CA ALA A 99 6.799 -7.803 7.001 1.00 0.00 C ATOM 1507 C ALA A 99 7.605 -7.197 8.152 1.00 0.00 C ATOM 1508 O ALA A 99 7.111 -6.380 8.903 1.00 0.00 O ATOM 1509 CB ALA A 99 6.426 -9.247 7.343 1.00 0.00 C ATOM 0 H ALA A 99 7.683 -8.675 5.270 1.00 0.00 H new ATOM 0 HA ALA A 99 5.892 -7.217 6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.838 -9.263 8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.841 -9.674 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.334 -9.834 7.484 1.00 0.00 H new ATOM 1515 N GLN A 100 8.840 -7.589 8.299 1.00 0.00 N ATOM 1516 CA GLN A 100 9.669 -7.032 9.406 1.00 0.00 C ATOM 1517 C GLN A 100 9.598 -5.506 9.366 1.00 0.00 C ATOM 1518 O GLN A 100 9.882 -4.834 10.339 1.00 0.00 O ATOM 1519 CB GLN A 100 11.120 -7.487 9.233 1.00 0.00 C ATOM 1520 CG GLN A 100 11.164 -9.012 9.125 1.00 0.00 C ATOM 1521 CD GLN A 100 12.513 -9.523 9.636 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.539 -8.928 9.375 1.00 0.00 O ATOM 1523 NE2 GLN A 100 12.553 -10.609 10.358 1.00 0.00 N ATOM 0 H GLN A 100 9.311 -8.269 7.702 1.00 0.00 H new ATOM 0 HA GLN A 100 9.293 -7.388 10.365 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.550 -7.035 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.721 -7.154 10.079 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.353 -9.452 9.706 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.016 -9.318 8.089 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.691 -11.108 10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.447 -10.959 10.704 1.00 0.00 H new ATOM 1532 N ALA A 101 9.217 -4.956 8.246 1.00 0.00 N ATOM 1533 CA ALA A 101 9.120 -3.472 8.132 1.00 0.00 C ATOM 1534 C ALA A 101 7.672 -3.032 8.383 1.00 0.00 C ATOM 1535 O ALA A 101 7.159 -3.155 9.478 1.00 0.00 O ATOM 1536 CB ALA A 101 9.549 -3.041 6.725 1.00 0.00 C ATOM 0 H ALA A 101 8.968 -5.472 7.402 1.00 0.00 H new ATOM 0 HA ALA A 101 9.773 -3.007 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.479 -1.957 6.639 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.578 -3.353 6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.896 -3.506 5.987 1.00 0.00 H new ATOM 1542 N GLY A 102 7.019 -2.526 7.370 1.00 0.00 N ATOM 1543 CA GLY A 102 5.608 -2.074 7.508 1.00 0.00 C ATOM 1544 C GLY A 102 4.772 -2.710 6.397 1.00 0.00 C ATOM 1545 O GLY A 102 3.565 -2.588 6.359 1.00 0.00 O ATOM 0 H GLY A 102 7.414 -2.406 6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.215 -2.358 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.553 -0.987 7.446 1.00 0.00 H new ATOM 1549 N ALA A 103 5.425 -3.407 5.504 1.00 0.00 N ATOM 1550 CA ALA A 103 4.733 -4.100 4.373 1.00 0.00 C ATOM 1551 C ALA A 103 3.684 -5.079 4.910 1.00 0.00 C ATOM 1552 O ALA A 103 3.169 -5.911 4.191 1.00 0.00 O ATOM 1553 CB ALA A 103 5.772 -4.848 3.547 1.00 0.00 C ATOM 0 H ALA A 103 6.438 -3.529 5.511 1.00 0.00 H new ATOM 0 HA ALA A 103 4.225 -3.364 3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.280 -5.358 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.503 -4.141 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.277 -5.581 4.176 1.00 0.00 H new ATOM 1559 N SER A 104 3.414 -4.993 6.180 1.00 0.00 N ATOM 1560 CA SER A 104 2.441 -5.912 6.859 1.00 0.00 C ATOM 1561 C SER A 104 1.339 -6.390 5.904 1.00 0.00 C ATOM 1562 O SER A 104 0.884 -7.512 5.998 1.00 0.00 O ATOM 1563 CB SER A 104 1.785 -5.160 8.021 1.00 0.00 C ATOM 1564 OG SER A 104 2.574 -5.323 9.193 1.00 0.00 O ATOM 0 H SER A 104 3.838 -4.304 6.801 1.00 0.00 H new ATOM 0 HA SER A 104 2.991 -6.786 7.208 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.690 -4.102 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.777 -5.539 8.192 1.00 0.00 H new ATOM 0 HG SER A 104 2.157 -4.841 9.938 1.00 0.00 H new ATOM 1570 N GLY A 105 0.905 -5.562 4.994 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.172 -5.991 4.049 1.00 0.00 C ATOM 1572 C GLY A 105 0.439 -6.394 2.703 1.00 0.00 C ATOM 1573 O GLY A 105 1.155 -5.632 2.086 1.00 0.00 O ATOM 0 H GLY A 105 1.246 -4.610 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.725 -6.830 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.885 -5.179 3.905 1.00 0.00 H new ATOM 1577 N TYR A 106 0.149 -7.585 2.236 1.00 0.00 N ATOM 1578 CA TYR A 106 0.701 -8.027 0.919 1.00 0.00 C ATOM 1579 C TYR A 106 -0.343 -8.845 0.174 1.00 0.00 C ATOM 1580 O TYR A 106 -0.635 -9.968 0.533 1.00 0.00 O ATOM 1581 CB TYR A 106 1.951 -8.885 1.112 1.00 0.00 C ATOM 1582 CG TYR A 106 1.950 -10.034 0.112 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.955 -9.789 -1.278 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.963 -11.357 0.576 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.969 -10.865 -2.177 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.983 -12.424 -0.324 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.986 -12.181 -1.697 1.00 0.00 C ATOM 1588 OH TYR A 106 2.009 -13.242 -2.577 1.00 0.00 O ATOM 0 H TYR A 106 -0.444 -8.267 2.709 1.00 0.00 H new ATOM 0 HA TYR A 106 0.964 -7.138 0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.845 -8.276 0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.981 -9.276 2.129 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.948 -8.775 -1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.957 -11.552 1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.967 -10.679 -3.241 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.996 -13.439 0.044 1.00 0.00 H new ATOM 0 HH TYR A 106 2.725 -13.861 -2.324 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.886 -8.296 -0.876 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.895 -9.043 -1.676 1.00 0.00 C ATOM 1600 C VAL A 107 -1.271 -9.390 -3.020 1.00 0.00 C ATOM 1601 O VAL A 107 -0.423 -8.677 -3.515 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.139 -8.181 -1.904 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.731 -6.806 -2.433 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.043 -8.869 -2.927 1.00 0.00 C ATOM 0 H VAL A 107 -0.673 -7.358 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.192 -9.946 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.671 -8.057 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.622 -6.199 -2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.082 -6.315 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.198 -6.923 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.932 -8.261 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.503 -8.990 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.339 -9.848 -2.550 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.675 -10.468 -3.620 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.086 -10.826 -4.932 1.00 0.00 C ATOM 1616 C VAL A 108 -1.935 -10.192 -6.043 1.00 0.00 C ATOM 1617 O VAL A 108 -3.070 -10.571 -6.252 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.093 -12.344 -5.103 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -0.809 -12.695 -6.564 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.013 -12.956 -4.215 1.00 0.00 C ATOM 0 H VAL A 108 -2.381 -11.112 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.060 -10.462 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.068 -12.739 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.814 -13.778 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.577 -12.255 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.167 -12.302 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.015 -14.039 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.961 -12.561 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.213 -12.705 -3.173 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.412 -9.229 -6.750 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.216 -8.584 -7.832 1.00 0.00 C ATOM 1632 C LYS A 109 -2.221 -9.488 -9.077 1.00 0.00 C ATOM 1633 O LYS A 109 -1.271 -10.217 -9.288 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.584 -7.232 -8.180 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.081 -7.410 -8.387 1.00 0.00 C ATOM 1636 CD LYS A 109 0.402 -6.478 -9.503 1.00 0.00 C ATOM 1637 CE LYS A 109 -0.119 -6.962 -10.862 1.00 0.00 C ATOM 1638 NZ LYS A 109 -0.956 -5.895 -11.479 1.00 0.00 N ATOM 0 H LYS A 109 -0.469 -8.861 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.242 -8.436 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.041 -6.827 -9.083 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.769 -6.515 -7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.451 -7.191 -7.462 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.140 -8.446 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.055 -5.462 -9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.491 -6.446 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 109 0.716 -7.209 -11.517 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.705 -7.872 -10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.433 -6.272 -12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.669 -5.573 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.352 -5.094 -11.752 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.258 -9.413 -9.899 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.451 -8.542 -9.701 1.00 0.00 C ATOM 1654 C PRO A 110 -5.358 -9.098 -8.592 1.00 0.00 C ATOM 1655 O PRO A 110 -5.230 -10.236 -8.187 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.205 -8.613 -11.036 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.420 -9.567 -11.970 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.284 -10.188 -11.148 1.00 0.00 C ATOM 0 HA PRO A 110 -4.165 -7.530 -9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.221 -8.978 -10.883 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.286 -7.622 -11.482 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.076 -10.343 -12.364 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.020 -9.023 -12.826 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.468 -11.245 -10.954 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.332 -10.121 -11.675 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.279 -8.302 -8.111 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.201 -8.786 -7.041 1.00 0.00 C ATOM 1668 C PHE A 111 -8.582 -8.190 -7.234 1.00 0.00 C ATOM 1669 O PHE A 111 -8.749 -7.129 -7.803 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.713 -8.347 -5.658 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.277 -6.903 -5.716 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.229 -5.872 -5.772 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.919 -6.595 -5.751 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.806 -4.541 -5.860 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.499 -5.267 -5.846 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.441 -4.240 -5.901 1.00 0.00 C ATOM 0 H PHE A 111 -6.432 -7.340 -8.413 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.229 -9.874 -7.105 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.509 -8.469 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.883 -8.976 -5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.283 -6.105 -5.747 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.187 -7.388 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.535 -3.745 -5.896 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.445 -5.035 -5.877 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.116 -3.213 -5.975 1.00 0.00 H new ATOM 1686 N THR A 112 -9.561 -8.845 -6.702 1.00 0.00 N ATOM 1687 CA THR A 112 -10.943 -8.312 -6.770 1.00 0.00 C ATOM 1688 C THR A 112 -11.189 -7.566 -5.465 1.00 0.00 C ATOM 1689 O THR A 112 -10.609 -7.891 -4.446 1.00 0.00 O ATOM 1690 CB THR A 112 -11.947 -9.459 -6.904 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.359 -10.522 -7.641 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.195 -8.957 -7.631 1.00 0.00 C ATOM 0 H THR A 112 -9.466 -9.737 -6.217 1.00 0.00 H new ATOM 0 HA THR A 112 -11.064 -7.657 -7.633 1.00 0.00 H new ATOM 0 HB THR A 112 -12.224 -9.819 -5.913 1.00 0.00 H new ATOM 0 HG1 THR A 112 -12.002 -11.257 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.912 -9.772 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.645 -8.143 -7.062 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.919 -8.597 -8.622 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.017 -6.567 -5.468 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.254 -5.820 -4.202 1.00 0.00 C ATOM 1702 C ALA A 113 -12.552 -6.811 -3.084 1.00 0.00 C ATOM 1703 O ALA A 113 -12.485 -6.480 -1.920 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.431 -4.857 -4.374 1.00 0.00 C ATOM 0 H ALA A 113 -12.537 -6.235 -6.280 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.365 -5.243 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.597 -4.315 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.208 -4.148 -5.171 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.328 -5.421 -4.630 1.00 0.00 H new ATOM 1710 N ALA A 114 -12.856 -8.029 -3.424 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.126 -9.034 -2.366 1.00 0.00 C ATOM 1712 C ALA A 114 -11.788 -9.519 -1.818 1.00 0.00 C ATOM 1713 O ALA A 114 -11.628 -9.720 -0.630 1.00 0.00 O ATOM 1714 CB ALA A 114 -13.911 -10.209 -2.950 1.00 0.00 C ATOM 0 H ALA A 114 -12.929 -8.370 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.719 -8.589 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.105 -10.942 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.858 -9.850 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.331 -10.674 -3.747 1.00 0.00 H new ATOM 1720 N THR A 115 -10.812 -9.680 -2.670 1.00 0.00 N ATOM 1721 CA THR A 115 -9.481 -10.119 -2.181 1.00 0.00 C ATOM 1722 C THR A 115 -8.867 -8.964 -1.396 1.00 0.00 C ATOM 1723 O THR A 115 -8.630 -9.080 -0.210 1.00 0.00 O ATOM 1724 CB THR A 115 -8.580 -10.491 -3.356 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.185 -10.057 -4.560 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.391 -12.009 -3.397 1.00 0.00 C ATOM 0 H THR A 115 -10.881 -9.527 -3.676 1.00 0.00 H new ATOM 0 HA THR A 115 -9.585 -10.999 -1.546 1.00 0.00 H new ATOM 0 HB THR A 115 -7.608 -10.011 -3.239 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.372 -9.097 -4.504 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.748 -12.273 -4.236 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.930 -12.344 -2.467 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.360 -12.493 -3.516 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.617 -7.838 -2.028 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.040 -6.703 -1.260 1.00 0.00 C ATOM 1736 C LEU A 116 -8.850 -6.501 0.026 1.00 0.00 C ATOM 1737 O LEU A 116 -8.304 -6.208 1.073 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.099 -5.428 -2.101 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.828 -4.603 -1.858 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.608 -5.310 -2.467 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.973 -3.219 -2.499 1.00 0.00 C ATOM 0 H LEU A 116 -8.785 -7.665 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.002 -6.923 -1.012 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.187 -5.679 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.981 -4.845 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.686 -4.498 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.714 -4.713 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.488 -6.291 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.755 -5.429 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.067 -2.639 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.129 -3.330 -3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.826 -2.702 -2.059 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.151 -6.650 -0.039 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.982 -6.460 1.180 1.00 0.00 C ATOM 1755 C GLU A 117 -10.637 -7.526 2.222 1.00 0.00 C ATOM 1756 O GLU A 117 -10.282 -7.222 3.343 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.464 -6.575 0.819 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.291 -6.688 2.101 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.464 -8.164 2.468 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.910 -8.917 1.618 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -13.148 -8.515 3.592 1.00 0.00 O ATOM 0 H GLU A 117 -10.668 -6.894 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.779 -5.471 1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.779 -5.703 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.629 -7.448 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.797 -6.156 2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.266 -6.221 1.960 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.753 -8.771 1.858 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.447 -9.868 2.821 1.00 0.00 C ATOM 1770 C GLU A 118 -9.142 -9.565 3.559 1.00 0.00 C ATOM 1771 O GLU A 118 -9.132 -9.347 4.754 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.308 -11.188 2.060 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.902 -12.323 2.894 1.00 0.00 C ATOM 1774 CD GLU A 118 -10.554 -13.667 2.252 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -9.540 -13.734 1.578 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.309 -14.606 2.445 1.00 0.00 O ATOM 0 H GLU A 118 -11.048 -9.079 0.931 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.258 -9.946 3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.820 -11.122 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.258 -11.389 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.513 -12.283 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.984 -12.210 2.962 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.041 -9.554 2.859 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.737 -9.269 3.522 1.00 0.00 C ATOM 1785 C LYS A 119 -6.889 -8.047 4.433 1.00 0.00 C ATOM 1786 O LYS A 119 -6.289 -7.967 5.488 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.678 -8.982 2.452 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.364 -9.700 2.795 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.430 -11.164 2.336 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.427 -11.246 0.804 1.00 0.00 C ATOM 1791 NZ LYS A 119 -5.760 -11.716 0.331 1.00 0.00 N ATOM 0 H LYS A 119 -7.988 -9.730 1.856 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.430 -10.130 4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.037 -9.313 1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.505 -7.908 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.528 -9.196 2.311 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.185 -9.655 3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.580 -11.716 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.331 -11.635 2.730 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.201 -10.269 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.648 -11.929 0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.942 -11.342 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.772 -12.756 0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.498 -11.378 0.981 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.687 -7.096 4.034 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.878 -5.883 4.875 1.00 0.00 C ATOM 1807 C LEU A 120 -8.401 -6.292 6.256 1.00 0.00 C ATOM 1808 O LEU A 120 -7.714 -6.175 7.250 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.886 -4.950 4.195 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.523 -3.496 4.496 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.446 -3.023 3.518 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.765 -2.616 4.349 1.00 0.00 C ATOM 0 H LEU A 120 -8.215 -7.107 3.161 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.926 -5.366 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.885 -5.120 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.893 -5.165 4.551 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.145 -3.423 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.188 -1.986 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.559 -3.647 3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.822 -3.098 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.504 -1.580 4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.145 -2.691 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.532 -2.950 5.048 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.612 -6.771 6.325 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.178 -7.186 7.640 1.00 0.00 C ATOM 1826 C ASN A 121 -9.179 -8.086 8.371 1.00 0.00 C ATOM 1827 O ASN A 121 -9.097 -8.083 9.583 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.479 -7.958 7.410 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.519 -7.547 8.455 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.175 -7.091 9.527 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.788 -7.695 8.186 1.00 0.00 N ATOM 0 H ASN A 121 -10.235 -6.893 5.527 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.376 -6.300 8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.859 -7.758 6.408 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.292 -9.030 7.472 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.490 -7.428 8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -14.077 -8.078 7.286 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.427 -8.861 7.643 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.442 -9.769 8.295 1.00 0.00 C ATOM 1840 C LYS A 122 -6.439 -8.954 9.115 1.00 0.00 C ATOM 1841 O LYS A 122 -6.027 -9.359 10.184 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.693 -10.567 7.225 1.00 0.00 C ATOM 1843 CG LYS A 122 -5.979 -11.753 7.881 1.00 0.00 C ATOM 1844 CD LYS A 122 -6.935 -12.947 7.977 1.00 0.00 C ATOM 1845 CE LYS A 122 -6.753 -13.846 6.755 1.00 0.00 C ATOM 1846 NZ LYS A 122 -7.789 -14.916 6.769 1.00 0.00 N ATOM 0 H LYS A 122 -8.451 -8.906 6.624 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.974 -10.452 8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.390 -10.923 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.970 -9.928 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.099 -12.026 7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.630 -11.474 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.739 -13.511 8.889 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.966 -12.597 8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -6.835 -13.257 5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.757 -14.289 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -7.666 -15.529 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.690 -15.483 7.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -8.735 -14.484 6.744 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.036 -7.814 8.627 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.054 -6.991 9.390 1.00 0.00 C ATOM 1862 C ILE A 123 -5.791 -6.050 10.344 1.00 0.00 C ATOM 1863 O ILE A 123 -5.447 -5.934 11.504 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.202 -6.169 8.415 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -2.998 -7.008 7.975 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.709 -4.886 9.104 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.278 -6.319 6.812 1.00 0.00 C ATOM 0 H ILE A 123 -6.341 -7.418 7.738 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.408 -7.652 9.968 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.803 -5.898 7.547 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.312 -7.141 8.811 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.328 -8.002 7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.105 -4.307 8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.566 -4.291 9.422 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.107 -5.148 9.974 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.423 -6.922 6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.965 -6.209 5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.933 -5.335 7.129 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.788 -5.361 9.865 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.522 -4.416 10.743 1.00 0.00 C ATOM 1881 C PHE A 124 -7.993 -5.129 12.010 1.00 0.00 C ATOM 1882 O PHE A 124 -8.281 -4.501 13.011 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.708 -3.837 9.979 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.223 -2.660 9.171 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.525 -2.879 7.981 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.453 -1.352 9.618 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.059 -1.793 7.232 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.984 -0.265 8.868 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.289 -0.488 7.675 1.00 0.00 C ATOM 0 H PHE A 124 -7.124 -5.413 8.904 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.858 -3.604 11.039 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.144 -4.593 9.325 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.490 -3.526 10.671 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.345 -3.887 7.639 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.991 -1.182 10.539 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.521 -1.964 6.311 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.159 0.744 9.211 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.930 0.350 7.095 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.054 -6.431 11.997 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.482 -7.152 13.227 1.00 0.00 C ATOM 1901 C GLU A 125 -7.560 -6.727 14.366 1.00 0.00 C ATOM 1902 O GLU A 125 -7.974 -6.585 15.499 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.374 -8.663 13.010 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.773 -9.282 13.010 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.683 -10.744 12.567 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -8.876 -11.030 11.699 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -10.420 -11.552 13.106 1.00 0.00 O ATOM 0 H GLU A 125 -7.829 -7.022 11.197 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.518 -6.910 13.465 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.874 -8.870 12.064 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.767 -9.111 13.797 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -10.210 -9.219 14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.428 -8.727 12.339 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.312 -6.501 14.060 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.356 -6.058 15.107 1.00 0.00 C ATOM 1916 C LYS A 126 -5.558 -4.562 15.334 1.00 0.00 C ATOM 1917 O LYS A 126 -5.397 -4.058 16.428 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.922 -6.320 14.641 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.728 -7.818 14.397 1.00 0.00 C ATOM 1920 CD LYS A 126 -3.273 -8.492 15.693 1.00 0.00 C ATOM 1921 CE LYS A 126 -3.674 -9.969 15.669 1.00 0.00 C ATOM 1922 NZ LYS A 126 -3.326 -10.555 14.344 1.00 0.00 N ATOM 0 H LYS A 126 -5.914 -6.605 13.126 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.529 -6.607 16.033 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.718 -5.763 13.727 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.215 -5.969 15.392 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -4.660 -8.264 14.050 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.988 -7.977 13.613 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -2.193 -8.399 15.804 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -3.725 -7.995 16.552 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.161 -10.510 16.464 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -4.743 -10.070 15.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.240 -11.588 14.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.073 -10.327 13.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.422 -10.160 14.016 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.924 -3.849 14.302 1.00 0.00 N ATOM 1937 CA LEU A 127 -6.154 -2.387 14.451 1.00 0.00 C ATOM 1938 C LEU A 127 -7.350 -2.179 15.383 1.00 0.00 C ATOM 1939 O LEU A 127 -7.491 -1.147 16.009 1.00 0.00 O ATOM 1940 CB LEU A 127 -6.434 -1.766 13.069 1.00 0.00 C ATOM 1941 CG LEU A 127 -6.383 -0.225 13.149 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -6.163 0.346 11.747 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -7.694 0.349 13.717 1.00 0.00 C ATOM 0 H LEU A 127 -6.073 -4.218 13.363 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.273 -1.903 14.874 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.699 -2.123 12.348 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.413 -2.085 12.712 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.564 0.054 13.812 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -6.126 1.434 11.799 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -5.222 -0.030 11.344 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -6.983 0.041 11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -7.626 1.436 13.761 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -8.526 0.063 13.073 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.859 -0.045 14.720 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.209 -3.160 15.486 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.390 -3.024 16.383 1.00 0.00 C ATOM 1957 C GLY A 128 -10.565 -2.441 15.598 1.00 0.00 C ATOM 1958 O GLY A 128 -11.060 -1.375 15.909 1.00 0.00 O ATOM 0 H GLY A 128 -8.142 -4.047 14.988 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.661 -3.996 16.794 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.146 -2.378 17.226 1.00 0.00 H new ATOM 1962 N MET A 129 -11.010 -3.130 14.581 1.00 0.00 N ATOM 1963 CA MET A 129 -12.148 -2.622 13.767 1.00 0.00 C ATOM 1964 C MET A 129 -13.087 -3.782 13.425 1.00 0.00 C ATOM 1965 O MET A 129 -12.795 -4.894 13.833 1.00 0.00 O ATOM 1966 CB MET A 129 -11.603 -2.009 12.479 1.00 0.00 C ATOM 1967 CG MET A 129 -11.657 -0.484 12.573 1.00 0.00 C ATOM 1968 SD MET A 129 -13.382 0.061 12.579 1.00 0.00 S ATOM 1969 CE MET A 129 -13.060 1.841 12.630 1.00 0.00 C ATOM 1970 OXT MET A 129 -14.081 -3.538 12.761 1.00 0.00 O ATOM 0 H MET A 129 -10.631 -4.027 14.279 1.00 0.00 H new ATOM 0 HA MET A 129 -12.698 -1.867 14.330 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.577 -2.337 12.314 1.00 0.00 H new ATOM 0 HB3 MET A 129 -12.188 -2.352 11.625 1.00 0.00 H new ATOM 0 HG2 MET A 129 -11.155 -0.147 13.480 1.00 0.00 H new ATOM 0 HG3 MET A 129 -11.127 -0.038 11.731 1.00 0.00 H new ATOM 0 HE1 MET A 129 -14.006 2.382 12.640 1.00 0.00 H new ATOM 0 HE2 MET A 129 -12.494 2.083 13.530 1.00 0.00 H new ATOM 0 HE3 MET A 129 -12.485 2.132 11.751 1.00 0.00 H new