USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 420 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 14 MET CE :methyl -144:sc= -3.81! (180deg=-3.42!) USER MOD Set 1.2: A 34 HIS :FLIP no HD1:sc= -1.18 F(o=-6.4,f=-5) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 140:sc= -1.2 USER MOD Single : A 4 LYS NZ :NH3+ -111:sc= -1.2 (180deg=-5.1!) USER MOD Single : A 8 LYS NZ :NH3+ -153:sc= -0.127 (180deg=-0.331) USER MOD Single : A 11 TYR OH : rot -21:sc= -0.23 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00552) USER MOD Single : A 28 THR OG1 : rot -130:sc= -4.89! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0628 K(o=-0.063,f=-1.6!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -170:sc= -1.34 USER MOD Single : A 63 SER OG : rot 120:sc= -0.276 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.851 8.345 13.336 1.00 0.00 N ATOM 2 CA SER A 1 7.922 7.430 12.696 1.00 0.00 C ATOM 3 C SER A 1 8.495 6.948 11.362 1.00 0.00 C ATOM 4 O SER A 1 7.964 7.273 10.301 1.00 0.00 O ATOM 5 CB SER A 1 6.559 8.091 12.479 1.00 0.00 C ATOM 6 OG SER A 1 5.508 7.369 13.117 1.00 0.00 O ATOM 0 H1 SER A 1 8.453 8.667 14.241 1.00 0.00 H new ATOM 0 H2 SER A 1 9.754 7.859 13.508 1.00 0.00 H new ATOM 0 H3 SER A 1 9.012 9.165 12.717 1.00 0.00 H new ATOM 0 HA SER A 1 7.780 6.573 13.354 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.585 9.110 12.865 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.355 8.159 11.410 1.00 0.00 H new ATOM 0 HG SER A 1 4.876 8.000 13.522 1.00 0.00 H new ATOM 11 N ASP A 2 9.572 6.183 11.459 1.00 0.00 N ATOM 12 CA ASP A 2 10.224 5.654 10.273 1.00 0.00 C ATOM 13 C ASP A 2 9.409 4.479 9.730 1.00 0.00 C ATOM 14 O ASP A 2 9.512 4.139 8.552 1.00 0.00 O ATOM 15 CB ASP A 2 11.629 5.144 10.598 1.00 0.00 C ATOM 16 CG ASP A 2 12.338 5.880 11.737 1.00 0.00 C ATOM 17 OD1 ASP A 2 12.657 7.071 11.531 1.00 0.00 O ATOM 18 OD2 ASP A 2 12.542 5.237 12.788 1.00 0.00 O ATOM 0 H ASP A 2 10.010 5.917 12.341 1.00 0.00 H new ATOM 0 HA ASP A 2 10.293 6.457 9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.565 4.086 10.854 1.00 0.00 H new ATOM 0 HB3 ASP A 2 12.243 5.218 9.700 1.00 0.00 H new ATOM 22 N ASP A 3 8.615 3.891 10.613 1.00 0.00 N ATOM 23 CA ASP A 3 7.783 2.762 10.236 1.00 0.00 C ATOM 24 C ASP A 3 6.655 3.247 9.324 1.00 0.00 C ATOM 25 O ASP A 3 6.105 2.471 8.545 1.00 0.00 O ATOM 26 CB ASP A 3 7.148 2.111 11.467 1.00 0.00 C ATOM 27 CG ASP A 3 7.943 0.949 12.067 1.00 0.00 C ATOM 28 OD1 ASP A 3 8.101 -0.061 11.348 1.00 0.00 O ATOM 29 OD2 ASP A 3 8.376 1.098 13.230 1.00 0.00 O ATOM 0 H ASP A 3 8.531 4.176 11.589 1.00 0.00 H new ATOM 0 HA ASP A 3 8.414 2.033 9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.013 2.874 12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.155 1.751 11.198 1.00 0.00 H new ATOM 33 N LYS A 4 6.343 4.529 9.452 1.00 0.00 N ATOM 34 CA LYS A 4 5.291 5.127 8.649 1.00 0.00 C ATOM 35 C LYS A 4 5.915 5.844 7.450 1.00 0.00 C ATOM 36 O LYS A 4 5.315 5.909 6.379 1.00 0.00 O ATOM 37 CB LYS A 4 4.404 6.028 9.511 1.00 0.00 C ATOM 38 CG LYS A 4 3.829 5.254 10.700 1.00 0.00 C ATOM 39 CD LYS A 4 3.057 6.185 11.637 1.00 0.00 C ATOM 40 CE LYS A 4 1.790 6.714 10.964 1.00 0.00 C ATOM 41 NZ LYS A 4 2.070 7.985 10.258 1.00 0.00 N ATOM 0 H LYS A 4 6.801 5.170 10.100 1.00 0.00 H new ATOM 0 HA LYS A 4 4.631 4.356 8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.984 6.878 9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.591 6.430 8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.169 4.465 10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.637 4.769 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.792 5.650 12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.693 7.020 11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.410 5.975 10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.012 6.870 11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.592 8.767 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.096 8.158 10.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.719 7.924 9.281 1.00 0.00 H new ATOM 51 N ILE A 5 7.113 6.366 7.671 1.00 0.00 N ATOM 52 CA ILE A 5 7.826 7.076 6.623 1.00 0.00 C ATOM 53 C ILE A 5 8.201 6.094 5.512 1.00 0.00 C ATOM 54 O ILE A 5 7.673 6.173 4.404 1.00 0.00 O ATOM 55 CB ILE A 5 9.020 7.833 7.206 1.00 0.00 C ATOM 56 CG1 ILE A 5 8.558 9.000 8.080 1.00 0.00 C ATOM 57 CG2 ILE A 5 9.973 8.289 6.098 1.00 0.00 C ATOM 58 CD1 ILE A 5 9.640 9.394 9.087 1.00 0.00 C ATOM 0 H ILE A 5 7.608 6.311 8.561 1.00 0.00 H new ATOM 0 HA ILE A 5 7.186 7.836 6.173 1.00 0.00 H new ATOM 0 HB ILE A 5 9.575 7.151 7.849 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.313 9.856 7.451 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.647 8.723 8.610 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.814 8.825 6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.342 7.419 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.443 8.948 5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.285 10.226 9.695 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.865 8.544 9.731 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.542 9.694 8.553 1.00 0.00 H new ATOM 69 N GLY A 6 9.111 5.191 5.846 1.00 0.00 N ATOM 70 CA GLY A 6 9.563 4.195 4.891 1.00 0.00 C ATOM 71 C GLY A 6 8.402 3.695 4.029 1.00 0.00 C ATOM 72 O GLY A 6 8.351 3.970 2.831 1.00 0.00 O ATOM 0 H GLY A 6 9.548 5.129 6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.336 4.623 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.015 3.356 5.421 1.00 0.00 H new ATOM 76 N LEU A 7 7.499 2.970 4.671 1.00 0.00 N ATOM 77 CA LEU A 7 6.342 2.429 3.978 1.00 0.00 C ATOM 78 C LEU A 7 5.701 3.530 3.129 1.00 0.00 C ATOM 79 O LEU A 7 5.435 3.330 1.946 1.00 0.00 O ATOM 80 CB LEU A 7 5.378 1.778 4.971 1.00 0.00 C ATOM 81 CG LEU A 7 4.943 0.348 4.644 1.00 0.00 C ATOM 82 CD1 LEU A 7 6.125 -0.618 4.733 1.00 0.00 C ATOM 83 CD2 LEU A 7 3.778 -0.087 5.535 1.00 0.00 C ATOM 0 H LEU A 7 7.545 2.744 5.665 1.00 0.00 H new ATOM 0 HA LEU A 7 6.644 1.634 3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.847 1.778 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.486 2.401 5.043 1.00 0.00 H new ATOM 0 HG LEU A 7 4.586 0.326 3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.789 -1.627 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.896 -0.316 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.535 -0.600 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.488 -1.107 5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.084 -0.045 6.580 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.931 0.581 5.378 1.00 0.00 H new ATOM 94 N LYS A 8 5.472 4.668 3.769 1.00 0.00 N ATOM 95 CA LYS A 8 4.868 5.800 3.088 1.00 0.00 C ATOM 96 C LYS A 8 5.690 6.139 1.842 1.00 0.00 C ATOM 97 O LYS A 8 5.130 6.398 0.778 1.00 0.00 O ATOM 98 CB LYS A 8 4.700 6.977 4.052 1.00 0.00 C ATOM 99 CG LYS A 8 4.224 8.228 3.311 1.00 0.00 C ATOM 100 CD LYS A 8 3.750 9.301 4.294 1.00 0.00 C ATOM 101 CE LYS A 8 2.696 8.740 5.250 1.00 0.00 C ATOM 102 NZ LYS A 8 3.297 8.445 6.570 1.00 0.00 N ATOM 0 H LYS A 8 5.694 4.830 4.751 1.00 0.00 H new ATOM 0 HA LYS A 8 3.863 5.548 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.982 6.715 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.648 7.183 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.035 8.623 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.412 7.966 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.599 9.678 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.335 10.146 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.883 9.457 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.262 7.832 4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.759 7.686 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.283 8.142 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.272 9.300 7.162 1.00 0.00 H new ATOM 112 N VAL A 9 7.002 6.125 2.017 1.00 0.00 N ATOM 113 CA VAL A 9 7.906 6.427 0.920 1.00 0.00 C ATOM 114 C VAL A 9 7.605 5.495 -0.256 1.00 0.00 C ATOM 115 O VAL A 9 7.107 5.935 -1.290 1.00 0.00 O ATOM 116 CB VAL A 9 9.357 6.338 1.397 1.00 0.00 C ATOM 117 CG1 VAL A 9 10.320 6.854 0.325 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.548 7.092 2.715 1.00 0.00 C ATOM 0 H VAL A 9 7.462 5.909 2.902 1.00 0.00 H new ATOM 0 HA VAL A 9 7.755 7.449 0.572 1.00 0.00 H new ATOM 0 HB VAL A 9 9.587 5.288 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.344 6.780 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.212 6.255 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.090 7.895 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.588 7.013 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.290 8.142 2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.902 6.659 3.479 1.00 0.00 H new ATOM 128 N LEU A 10 7.919 4.223 -0.056 1.00 0.00 N ATOM 129 CA LEU A 10 7.688 3.224 -1.086 1.00 0.00 C ATOM 130 C LEU A 10 6.253 3.353 -1.602 1.00 0.00 C ATOM 131 O LEU A 10 6.027 3.409 -2.809 1.00 0.00 O ATOM 132 CB LEU A 10 8.031 1.828 -0.565 1.00 0.00 C ATOM 133 CG LEU A 10 9.307 1.197 -1.127 1.00 0.00 C ATOM 134 CD1 LEU A 10 10.157 0.589 -0.009 1.00 0.00 C ATOM 135 CD2 LEU A 10 8.979 0.176 -2.218 1.00 0.00 C ATOM 0 H LEU A 10 8.331 3.861 0.804 1.00 0.00 H new ATOM 0 HA LEU A 10 8.349 3.393 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.122 1.879 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.194 1.164 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 10 9.901 1.984 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.058 0.147 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.436 1.368 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.584 -0.182 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.903 -0.257 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.353 -0.613 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.447 0.670 -3.031 1.00 0.00 H new ATOM 146 N TYR A 11 5.322 3.394 -0.660 1.00 0.00 N ATOM 147 CA TYR A 11 3.914 3.515 -1.005 1.00 0.00 C ATOM 148 C TYR A 11 3.675 4.721 -1.916 1.00 0.00 C ATOM 149 O TYR A 11 3.143 4.575 -3.016 1.00 0.00 O ATOM 150 CB TYR A 11 3.175 3.734 0.316 1.00 0.00 C ATOM 151 CG TYR A 11 1.790 4.363 0.156 1.00 0.00 C ATOM 152 CD1 TYR A 11 1.081 4.184 -1.015 1.00 0.00 C ATOM 153 CD2 TYR A 11 1.248 5.111 1.182 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.224 4.776 -1.166 1.00 0.00 C ATOM 155 CE2 TYR A 11 -0.056 5.703 1.032 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.727 5.506 -0.135 1.00 0.00 C ATOM 157 OH TYR A 11 -1.959 6.066 -0.277 1.00 0.00 O ATOM 0 H TYR A 11 5.514 3.346 0.341 1.00 0.00 H new ATOM 0 HA TYR A 11 3.570 2.627 -1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.071 2.776 0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.781 4.373 0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.505 3.600 -1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.803 5.252 2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.789 4.643 -2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.491 6.290 1.827 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.177 6.140 -1.230 1.00 0.00 H new ATOM 166 N LYS A 12 4.079 5.883 -1.425 1.00 0.00 N ATOM 167 CA LYS A 12 3.914 7.112 -2.182 1.00 0.00 C ATOM 168 C LYS A 12 4.587 6.960 -3.548 1.00 0.00 C ATOM 169 O LYS A 12 4.156 7.567 -4.527 1.00 0.00 O ATOM 170 CB LYS A 12 4.423 8.309 -1.376 1.00 0.00 C ATOM 171 CG LYS A 12 4.682 9.512 -2.285 1.00 0.00 C ATOM 172 CD LYS A 12 6.094 9.462 -2.872 1.00 0.00 C ATOM 173 CE LYS A 12 6.725 10.855 -2.900 1.00 0.00 C ATOM 174 NZ LYS A 12 8.199 10.758 -2.805 1.00 0.00 N ATOM 0 H LYS A 12 4.520 6.000 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 12 2.858 7.306 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.691 8.576 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.341 8.037 -0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.949 9.527 -3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.552 10.435 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.714 8.790 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.058 9.055 -3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.447 11.368 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.340 11.452 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.612 11.712 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.459 10.287 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.563 10.206 -3.608 1.00 0.00 H new ATOM 184 N LEU A 13 5.633 6.146 -3.569 1.00 0.00 N ATOM 185 CA LEU A 13 6.369 5.906 -4.798 1.00 0.00 C ATOM 186 C LEU A 13 5.618 4.878 -5.645 1.00 0.00 C ATOM 187 O LEU A 13 5.711 4.892 -6.872 1.00 0.00 O ATOM 188 CB LEU A 13 7.813 5.509 -4.488 1.00 0.00 C ATOM 189 CG LEU A 13 8.762 5.440 -5.687 1.00 0.00 C ATOM 190 CD1 LEU A 13 9.555 6.740 -5.834 1.00 0.00 C ATOM 191 CD2 LEU A 13 9.677 4.218 -5.591 1.00 0.00 C ATOM 0 H LEU A 13 5.988 5.645 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 13 6.433 6.820 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.218 6.221 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.804 4.534 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 13 8.164 5.324 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.222 6.664 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.866 7.572 -5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.143 6.911 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.341 4.192 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.270 4.278 -4.679 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.072 3.311 -5.571 1.00 0.00 H new ATOM 202 N MET A 14 4.889 4.011 -4.959 1.00 0.00 N ATOM 203 CA MET A 14 4.122 2.978 -5.633 1.00 0.00 C ATOM 204 C MET A 14 2.850 3.558 -6.255 1.00 0.00 C ATOM 205 O MET A 14 2.543 3.287 -7.415 1.00 0.00 O ATOM 206 CB MET A 14 3.747 1.884 -4.631 1.00 0.00 C ATOM 207 CG MET A 14 4.332 0.533 -5.049 1.00 0.00 C ATOM 208 SD MET A 14 5.929 0.299 -4.287 1.00 0.00 S ATOM 209 CE MET A 14 6.070 -1.477 -4.406 1.00 0.00 C ATOM 0 H MET A 14 4.813 4.003 -3.942 1.00 0.00 H new ATOM 0 HA MET A 14 4.736 2.558 -6.430 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.114 2.152 -3.640 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.662 1.808 -4.559 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.658 -0.271 -4.755 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.427 0.488 -6.134 1.00 0.00 H new ATOM 0 HE1 MET A 14 6.577 -1.862 -3.521 1.00 0.00 H new ATOM 0 HE2 MET A 14 5.075 -1.917 -4.475 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.645 -1.738 -5.295 1.00 0.00 H new ATOM 217 N ASP A 15 2.144 4.345 -5.457 1.00 0.00 N ATOM 218 CA ASP A 15 0.912 4.965 -5.916 1.00 0.00 C ATOM 219 C ASP A 15 1.220 5.885 -7.099 1.00 0.00 C ATOM 220 O ASP A 15 1.441 7.081 -6.920 1.00 0.00 O ATOM 221 CB ASP A 15 0.279 5.814 -4.810 1.00 0.00 C ATOM 222 CG ASP A 15 -0.679 6.901 -5.300 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.629 6.536 -6.026 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.440 8.073 -4.936 1.00 0.00 O ATOM 0 H ASP A 15 2.401 4.568 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 15 0.221 4.172 -6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.260 5.155 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.075 6.285 -4.233 1.00 0.00 H new ATOM 228 N VAL A 16 1.224 5.289 -8.283 1.00 0.00 N ATOM 229 CA VAL A 16 1.500 6.039 -9.496 1.00 0.00 C ATOM 230 C VAL A 16 0.228 6.120 -10.342 1.00 0.00 C ATOM 231 O VAL A 16 0.078 7.026 -11.161 1.00 0.00 O ATOM 232 CB VAL A 16 2.677 5.410 -10.245 1.00 0.00 C ATOM 233 CG1 VAL A 16 2.688 5.843 -11.712 1.00 0.00 C ATOM 234 CG2 VAL A 16 4.004 5.748 -9.563 1.00 0.00 C ATOM 0 H VAL A 16 1.041 4.296 -8.427 1.00 0.00 H new ATOM 0 HA VAL A 16 1.795 7.060 -9.254 1.00 0.00 H new ATOM 0 HB VAL A 16 2.552 4.328 -10.217 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.534 5.382 -12.221 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.761 5.528 -12.191 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.777 6.928 -11.771 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.824 5.289 -10.115 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.139 6.829 -9.545 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.996 5.367 -8.542 1.00 0.00 H new ATOM 244 N ASP A 17 -0.656 5.159 -10.117 1.00 0.00 N ATOM 245 CA ASP A 17 -1.910 5.109 -10.847 1.00 0.00 C ATOM 246 C ASP A 17 -2.454 6.529 -11.016 1.00 0.00 C ATOM 247 O ASP A 17 -2.912 6.899 -12.097 1.00 0.00 O ATOM 248 CB ASP A 17 -2.957 4.289 -10.091 1.00 0.00 C ATOM 249 CG ASP A 17 -4.332 4.219 -10.759 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.363 3.871 -11.959 1.00 0.00 O ATOM 251 OD2 ASP A 17 -5.321 4.516 -10.056 1.00 0.00 O ATOM 0 H ASP A 17 -0.528 4.408 -9.438 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.718 4.644 -11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.579 3.274 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.076 4.711 -9.093 1.00 0.00 H new ATOM 255 N GLY A 18 -2.387 7.286 -9.932 1.00 0.00 N ATOM 256 CA GLY A 18 -2.866 8.658 -9.946 1.00 0.00 C ATOM 257 C GLY A 18 -4.133 8.805 -9.099 1.00 0.00 C ATOM 258 O GLY A 18 -4.855 9.793 -9.222 1.00 0.00 O ATOM 0 H GLY A 18 -2.008 6.976 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.090 9.322 -9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.072 8.965 -10.971 1.00 0.00 H new ATOM 262 N ASP A 19 -4.363 7.806 -8.260 1.00 0.00 N ATOM 263 CA ASP A 19 -5.531 7.811 -7.394 1.00 0.00 C ATOM 264 C ASP A 19 -5.134 8.340 -6.014 1.00 0.00 C ATOM 265 O ASP A 19 -5.845 9.157 -5.430 1.00 0.00 O ATOM 266 CB ASP A 19 -6.091 6.398 -7.216 1.00 0.00 C ATOM 267 CG ASP A 19 -6.852 5.847 -8.423 1.00 0.00 C ATOM 268 OD1 ASP A 19 -6.876 6.558 -9.451 1.00 0.00 O ATOM 269 OD2 ASP A 19 -7.392 4.728 -8.290 1.00 0.00 O ATOM 0 H ASP A 19 -3.762 6.988 -8.161 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.290 8.444 -7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.267 5.723 -6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.757 6.393 -6.353 1.00 0.00 H new ATOM 273 N GLY A 20 -4.000 7.853 -5.533 1.00 0.00 N ATOM 274 CA GLY A 20 -3.499 8.266 -4.233 1.00 0.00 C ATOM 275 C GLY A 20 -3.541 7.107 -3.236 1.00 0.00 C ATOM 276 O GLY A 20 -2.751 7.066 -2.293 1.00 0.00 O ATOM 0 H GLY A 20 -3.413 7.176 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.476 8.628 -4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.096 9.096 -3.856 1.00 0.00 H new ATOM 280 N LYS A 21 -4.470 6.194 -3.477 1.00 0.00 N ATOM 281 CA LYS A 21 -4.626 5.037 -2.611 1.00 0.00 C ATOM 282 C LYS A 21 -3.875 3.850 -3.216 1.00 0.00 C ATOM 283 O LYS A 21 -3.754 3.743 -4.435 1.00 0.00 O ATOM 284 CB LYS A 21 -6.106 4.760 -2.347 1.00 0.00 C ATOM 285 CG LYS A 21 -6.873 4.582 -3.660 1.00 0.00 C ATOM 286 CD LYS A 21 -7.948 5.660 -3.817 1.00 0.00 C ATOM 287 CE LYS A 21 -8.945 5.282 -4.914 1.00 0.00 C ATOM 288 NZ LYS A 21 -10.039 6.277 -4.984 1.00 0.00 N ATOM 0 H LYS A 21 -5.123 6.232 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.184 5.230 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.209 3.862 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.538 5.583 -1.778 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.180 4.630 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.336 3.595 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.475 5.794 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.479 6.614 -4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.434 5.226 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.357 4.293 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.707 6.006 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.537 6.310 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.642 7.215 -5.196 1.00 0.00 H new ATOM 298 N LEU A 22 -3.391 2.985 -2.336 1.00 0.00 N ATOM 299 CA LEU A 22 -2.655 1.809 -2.767 1.00 0.00 C ATOM 300 C LEU A 22 -3.614 0.620 -2.860 1.00 0.00 C ATOM 301 O LEU A 22 -3.829 -0.086 -1.876 1.00 0.00 O ATOM 302 CB LEU A 22 -1.455 1.561 -1.852 1.00 0.00 C ATOM 303 CG LEU A 22 -0.115 1.325 -2.553 1.00 0.00 C ATOM 304 CD1 LEU A 22 0.131 2.377 -3.635 1.00 0.00 C ATOM 305 CD2 LEU A 22 1.030 1.265 -1.541 1.00 0.00 C ATOM 0 H LEU A 22 -3.495 3.076 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.239 1.964 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.348 2.417 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.673 0.695 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.156 0.356 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.090 2.186 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.665 2.328 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.144 3.368 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.971 1.096 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.083 2.207 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.854 0.449 -0.840 1.00 0.00 H new ATOM 316 N THR A 23 -4.163 0.434 -4.051 1.00 0.00 N ATOM 317 CA THR A 23 -5.092 -0.658 -4.285 1.00 0.00 C ATOM 318 C THR A 23 -4.347 -1.894 -4.793 1.00 0.00 C ATOM 319 O THR A 23 -3.232 -1.786 -5.301 1.00 0.00 O ATOM 320 CB THR A 23 -6.173 -0.161 -5.247 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.611 -0.378 -6.540 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.369 1.354 -5.176 1.00 0.00 C ATOM 0 H THR A 23 -3.982 1.022 -4.865 1.00 0.00 H new ATOM 0 HA THR A 23 -5.578 -0.969 -3.360 1.00 0.00 H new ATOM 0 HB THR A 23 -7.116 -0.659 -5.023 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.246 -0.085 -7.226 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.147 1.654 -5.878 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.665 1.636 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.435 1.854 -5.434 1.00 0.00 H new ATOM 330 N LYS A 24 -4.993 -3.040 -4.638 1.00 0.00 N ATOM 331 CA LYS A 24 -4.406 -4.296 -5.074 1.00 0.00 C ATOM 332 C LYS A 24 -3.990 -4.175 -6.543 1.00 0.00 C ATOM 333 O LYS A 24 -2.828 -4.391 -6.882 1.00 0.00 O ATOM 334 CB LYS A 24 -5.361 -5.459 -4.799 1.00 0.00 C ATOM 335 CG LYS A 24 -4.587 -6.746 -4.511 1.00 0.00 C ATOM 336 CD LYS A 24 -5.378 -7.664 -3.577 1.00 0.00 C ATOM 337 CE LYS A 24 -5.800 -8.947 -4.296 1.00 0.00 C ATOM 338 NZ LYS A 24 -6.812 -8.650 -5.334 1.00 0.00 N ATOM 0 H LYS A 24 -5.918 -3.125 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.504 -4.514 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.000 -5.217 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.015 -5.608 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.378 -7.266 -5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.625 -6.503 -4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.771 -7.914 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.261 -7.141 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.930 -9.418 -4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.206 -9.658 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.125 -9.537 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.628 -8.174 -4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.396 -8.029 -6.057 1.00 0.00 H new ATOM 348 N GLU A 25 -4.963 -3.833 -7.374 1.00 0.00 N ATOM 349 CA GLU A 25 -4.713 -3.683 -8.797 1.00 0.00 C ATOM 350 C GLU A 25 -3.434 -2.874 -9.028 1.00 0.00 C ATOM 351 O GLU A 25 -2.487 -3.367 -9.638 1.00 0.00 O ATOM 352 CB GLU A 25 -5.907 -3.032 -9.498 1.00 0.00 C ATOM 353 CG GLU A 25 -6.731 -4.073 -10.259 1.00 0.00 C ATOM 354 CD GLU A 25 -6.165 -4.298 -11.662 1.00 0.00 C ATOM 355 OE1 GLU A 25 -4.922 -4.367 -11.769 1.00 0.00 O ATOM 356 OE2 GLU A 25 -6.989 -4.397 -12.597 1.00 0.00 O ATOM 0 H GLU A 25 -5.926 -3.655 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.577 -4.674 -9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.537 -2.532 -8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.554 -2.266 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.734 -5.014 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.767 -3.742 -10.329 1.00 0.00 H new ATOM 361 N GLU A 26 -3.450 -1.647 -8.529 1.00 0.00 N ATOM 362 CA GLU A 26 -2.303 -0.766 -8.674 1.00 0.00 C ATOM 363 C GLU A 26 -1.072 -1.384 -8.009 1.00 0.00 C ATOM 364 O GLU A 26 0.053 -1.173 -8.459 1.00 0.00 O ATOM 365 CB GLU A 26 -2.601 0.620 -8.098 1.00 0.00 C ATOM 366 CG GLU A 26 -1.410 1.561 -8.293 1.00 0.00 C ATOM 367 CD GLU A 26 -1.719 2.956 -7.744 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.762 3.081 -7.068 1.00 0.00 O ATOM 369 OE2 GLU A 26 -0.905 3.864 -8.015 1.00 0.00 O ATOM 0 H GLU A 26 -4.238 -1.242 -8.024 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.094 -0.644 -9.737 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.483 1.038 -8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.832 0.535 -7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.534 1.154 -7.789 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.165 1.629 -9.353 1.00 0.00 H new ATOM 374 N VAL A 27 -1.327 -2.135 -6.947 1.00 0.00 N ATOM 375 CA VAL A 27 -0.253 -2.784 -6.214 1.00 0.00 C ATOM 376 C VAL A 27 0.325 -3.917 -7.064 1.00 0.00 C ATOM 377 O VAL A 27 1.442 -3.812 -7.569 1.00 0.00 O ATOM 378 CB VAL A 27 -0.761 -3.259 -4.851 1.00 0.00 C ATOM 379 CG1 VAL A 27 0.231 -4.227 -4.203 1.00 0.00 C ATOM 380 CG2 VAL A 27 -1.050 -2.072 -3.931 1.00 0.00 C ATOM 0 H VAL A 27 -2.262 -2.308 -6.577 1.00 0.00 H new ATOM 0 HA VAL A 27 0.555 -2.079 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.696 -3.796 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.154 -4.549 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.366 -5.096 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.189 -3.727 -4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.410 -2.437 -2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.137 -1.496 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.810 -1.436 -4.385 1.00 0.00 H new ATOM 390 N THR A 28 -0.462 -4.975 -7.196 1.00 0.00 N ATOM 391 CA THR A 28 -0.042 -6.128 -7.976 1.00 0.00 C ATOM 392 C THR A 28 0.677 -5.677 -9.249 1.00 0.00 C ATOM 393 O THR A 28 1.598 -6.344 -9.717 1.00 0.00 O ATOM 394 CB THR A 28 -1.276 -6.990 -8.248 1.00 0.00 C ATOM 395 OG1 THR A 28 -1.618 -7.519 -6.969 1.00 0.00 O ATOM 396 CG2 THR A 28 -0.953 -8.226 -9.089 1.00 0.00 C ATOM 0 H THR A 28 -1.388 -5.058 -6.776 1.00 0.00 H new ATOM 0 HA THR A 28 0.681 -6.734 -7.429 1.00 0.00 H new ATOM 0 HB THR A 28 -2.032 -6.392 -8.758 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.739 -8.489 -7.038 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.863 -8.803 -9.253 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.543 -7.915 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.223 -8.842 -8.565 1.00 0.00 H new ATOM 404 N SER A 29 0.228 -4.546 -9.775 1.00 0.00 N ATOM 405 CA SER A 29 0.817 -3.998 -10.985 1.00 0.00 C ATOM 406 C SER A 29 2.246 -3.530 -10.706 1.00 0.00 C ATOM 407 O SER A 29 3.192 -4.003 -11.335 1.00 0.00 O ATOM 408 CB SER A 29 -0.023 -2.841 -11.531 1.00 0.00 C ATOM 409 OG SER A 29 0.441 -2.398 -12.802 1.00 0.00 O ATOM 0 H SER A 29 -0.537 -3.995 -9.385 1.00 0.00 H new ATOM 0 HA SER A 29 0.840 -4.784 -11.740 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.063 -3.156 -11.615 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.003 -2.010 -10.826 1.00 0.00 H new ATOM 0 HG SER A 29 -0.122 -1.660 -13.117 1.00 0.00 H new ATOM 414 N PHE A 30 2.360 -2.606 -9.763 1.00 0.00 N ATOM 415 CA PHE A 30 3.658 -2.070 -9.394 1.00 0.00 C ATOM 416 C PHE A 30 4.479 -3.104 -8.621 1.00 0.00 C ATOM 417 O PHE A 30 5.704 -3.131 -8.722 1.00 0.00 O ATOM 418 CB PHE A 30 3.402 -0.861 -8.491 1.00 0.00 C ATOM 419 CG PHE A 30 4.269 0.356 -8.819 1.00 0.00 C ATOM 420 CD1 PHE A 30 5.490 0.499 -8.237 1.00 0.00 C ATOM 421 CD2 PHE A 30 3.819 1.294 -9.694 1.00 0.00 C ATOM 422 CE1 PHE A 30 6.294 1.629 -8.543 1.00 0.00 C ATOM 423 CE2 PHE A 30 4.623 2.424 -9.999 1.00 0.00 C ATOM 424 CZ PHE A 30 5.844 2.568 -9.417 1.00 0.00 C ATOM 0 H PHE A 30 1.574 -2.215 -9.244 1.00 0.00 H new ATOM 0 HA PHE A 30 4.217 -1.798 -10.290 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.352 -0.578 -8.569 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.578 -1.151 -7.455 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.848 -0.247 -7.542 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.850 1.180 -10.157 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.264 1.742 -8.081 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.265 3.170 -10.693 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.455 3.428 -9.649 1.00 0.00 H new ATOM 433 N PHE A 31 3.771 -3.929 -7.864 1.00 0.00 N ATOM 434 CA PHE A 31 4.418 -4.963 -7.074 1.00 0.00 C ATOM 435 C PHE A 31 4.758 -6.180 -7.937 1.00 0.00 C ATOM 436 O PHE A 31 5.584 -7.007 -7.552 1.00 0.00 O ATOM 437 CB PHE A 31 3.426 -5.383 -5.988 1.00 0.00 C ATOM 438 CG PHE A 31 3.405 -4.456 -4.771 1.00 0.00 C ATOM 439 CD1 PHE A 31 2.813 -3.235 -4.857 1.00 0.00 C ATOM 440 CD2 PHE A 31 3.979 -4.853 -3.603 1.00 0.00 C ATOM 441 CE1 PHE A 31 2.793 -2.374 -3.728 1.00 0.00 C ATOM 442 CE2 PHE A 31 3.960 -3.992 -2.474 1.00 0.00 C ATOM 443 CZ PHE A 31 3.367 -2.771 -2.560 1.00 0.00 C ATOM 0 H PHE A 31 2.755 -3.902 -7.781 1.00 0.00 H new ATOM 0 HA PHE A 31 5.347 -4.581 -6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.426 -5.422 -6.419 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.670 -6.393 -5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.358 -2.920 -5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.449 -5.823 -3.535 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.322 -1.404 -3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.416 -4.307 -1.547 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.352 -2.116 -1.701 1.00 0.00 H new ATOM 452 N LYS A 32 4.104 -6.252 -9.087 1.00 0.00 N ATOM 453 CA LYS A 32 4.326 -7.355 -10.006 1.00 0.00 C ATOM 454 C LYS A 32 5.817 -7.696 -10.035 1.00 0.00 C ATOM 455 O LYS A 32 6.191 -8.845 -10.264 1.00 0.00 O ATOM 456 CB LYS A 32 3.743 -7.030 -11.383 1.00 0.00 C ATOM 457 CG LYS A 32 2.999 -8.235 -11.962 1.00 0.00 C ATOM 458 CD LYS A 32 1.687 -8.480 -11.214 1.00 0.00 C ATOM 459 CE LYS A 32 1.052 -9.805 -11.641 1.00 0.00 C ATOM 460 NZ LYS A 32 0.139 -9.596 -12.788 1.00 0.00 N ATOM 0 H LYS A 32 3.420 -5.564 -9.403 1.00 0.00 H new ATOM 0 HA LYS A 32 3.801 -8.247 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.063 -6.182 -11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.544 -6.733 -12.060 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.793 -8.066 -13.019 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.630 -9.122 -11.898 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.873 -8.491 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.995 -7.661 -11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.831 -10.517 -11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.502 -10.238 -10.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.284 -10.505 -13.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.614 -8.933 -12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.673 -9.203 -13.590 1.00 0.00 H new ATOM 470 N LYS A 33 6.630 -6.676 -9.799 1.00 0.00 N ATOM 471 CA LYS A 33 8.072 -6.854 -9.795 1.00 0.00 C ATOM 472 C LYS A 33 8.504 -7.459 -8.457 1.00 0.00 C ATOM 473 O LYS A 33 9.225 -8.455 -8.427 1.00 0.00 O ATOM 474 CB LYS A 33 8.775 -5.537 -10.130 1.00 0.00 C ATOM 475 CG LYS A 33 8.705 -5.244 -11.630 1.00 0.00 C ATOM 476 CD LYS A 33 8.395 -3.767 -11.886 1.00 0.00 C ATOM 477 CE LYS A 33 9.678 -2.934 -11.909 1.00 0.00 C ATOM 478 NZ LYS A 33 9.408 -1.581 -12.446 1.00 0.00 N ATOM 0 H LYS A 33 6.317 -5.724 -9.609 1.00 0.00 H new ATOM 0 HA LYS A 33 8.371 -7.556 -10.574 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.311 -4.722 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.817 -5.586 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.652 -5.507 -12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.937 -5.866 -12.090 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.871 -3.661 -12.836 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.727 -3.392 -11.110 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.087 -2.857 -10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.431 -3.431 -12.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.289 -1.029 -12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.039 -1.659 -13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.706 -1.103 -11.846 1.00 0.00 H new ATOM 488 N HIS A 34 8.043 -6.832 -7.385 1.00 0.00 N ATOM 489 CA HIS A 34 8.373 -7.295 -6.048 1.00 0.00 C ATOM 490 C HIS A 34 7.712 -8.653 -5.798 1.00 0.00 C ATOM 491 O HIS A 34 7.766 -9.539 -6.650 1.00 0.00 O ATOM 492 CB HIS A 34 7.989 -6.248 -5.000 1.00 0.00 C ATOM 493 CG HIS A 34 8.540 -4.870 -5.280 1.00 0.00 C ATOM 494 ND1 HIS A 34 9.306 -4.408 -6.309 1.00 0.00 N flip ATOM 495 CD2 HIS A 34 8.316 -3.790 -4.443 1.00 0.00 C flip ATOM 496 CE1 HIS A 34 9.537 -3.116 -6.114 1.00 0.00 C flip ATOM 497 NE2 HIS A 34 8.924 -2.731 -4.957 1.00 0.00 N flip ATOM 0 H HIS A 34 7.444 -6.007 -7.415 1.00 0.00 H new ATOM 0 HA HIS A 34 9.451 -7.432 -5.963 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.902 -6.189 -4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.343 -6.579 -4.024 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.743 -3.808 -3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.115 -2.475 -6.764 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.932 -1.792 -4.558 1.00 0.00 H new ATOM 504 N GLY A 35 7.104 -8.772 -4.627 1.00 0.00 N ATOM 505 CA GLY A 35 6.434 -10.007 -4.255 1.00 0.00 C ATOM 506 C GLY A 35 4.951 -9.761 -3.972 1.00 0.00 C ATOM 507 O GLY A 35 4.443 -10.156 -2.922 1.00 0.00 O ATOM 0 H GLY A 35 7.061 -8.034 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.539 -10.738 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.911 -10.432 -3.372 1.00 0.00 H new ATOM 511 N ILE A 36 4.298 -9.113 -4.924 1.00 0.00 N ATOM 512 CA ILE A 36 2.884 -8.810 -4.790 1.00 0.00 C ATOM 513 C ILE A 36 2.218 -9.878 -3.919 1.00 0.00 C ATOM 514 O ILE A 36 1.505 -9.555 -2.971 1.00 0.00 O ATOM 515 CB ILE A 36 2.237 -8.648 -6.167 1.00 0.00 C ATOM 516 CG1 ILE A 36 0.721 -8.837 -6.086 1.00 0.00 C ATOM 517 CG2 ILE A 36 2.879 -9.589 -7.188 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.100 -7.868 -5.079 1.00 0.00 C ATOM 0 H ILE A 36 4.723 -8.789 -5.793 1.00 0.00 H new ATOM 0 HA ILE A 36 2.746 -7.854 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 36 2.416 -7.629 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.278 -8.678 -7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.494 -9.863 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.401 -9.454 -8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.942 -9.363 -7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.752 -10.621 -6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.978 -8.024 -5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.527 -8.046 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.308 -6.843 -5.385 1.00 0.00 H new ATOM 529 N GLU A 37 2.475 -11.128 -4.274 1.00 0.00 N ATOM 530 CA GLU A 37 1.911 -12.246 -3.537 1.00 0.00 C ATOM 531 C GLU A 37 1.781 -11.894 -2.054 1.00 0.00 C ATOM 532 O GLU A 37 0.673 -11.710 -1.552 1.00 0.00 O ATOM 533 CB GLU A 37 2.752 -13.510 -3.728 1.00 0.00 C ATOM 534 CG GLU A 37 2.413 -14.199 -5.051 1.00 0.00 C ATOM 535 CD GLU A 37 3.100 -15.563 -5.150 1.00 0.00 C ATOM 536 OE1 GLU A 37 4.315 -15.609 -4.863 1.00 0.00 O ATOM 537 OE2 GLU A 37 2.393 -16.529 -5.512 1.00 0.00 O ATOM 0 H GLU A 37 3.066 -11.391 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 37 0.915 -12.449 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.811 -13.253 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.576 -14.197 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.333 -14.325 -5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.725 -13.569 -5.884 1.00 0.00 H new ATOM 542 N LYS A 38 2.927 -11.808 -1.396 1.00 0.00 N ATOM 543 CA LYS A 38 2.955 -11.480 0.019 1.00 0.00 C ATOM 544 C LYS A 38 2.079 -10.252 0.271 1.00 0.00 C ATOM 545 O LYS A 38 1.044 -10.347 0.931 1.00 0.00 O ATOM 546 CB LYS A 38 4.397 -11.316 0.503 1.00 0.00 C ATOM 547 CG LYS A 38 4.471 -11.350 2.031 1.00 0.00 C ATOM 548 CD LYS A 38 4.615 -12.786 2.541 1.00 0.00 C ATOM 549 CE LYS A 38 6.079 -13.121 2.830 1.00 0.00 C ATOM 550 NZ LYS A 38 6.389 -12.898 4.259 1.00 0.00 N ATOM 0 H LYS A 38 3.844 -11.960 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 38 2.537 -12.297 0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.016 -12.111 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.802 -10.373 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.317 -10.753 2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.573 -10.899 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.023 -12.915 3.447 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.219 -13.480 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.280 -14.159 2.566 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.729 -12.503 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.387 -13.130 4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.217 -11.901 4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.782 -13.506 4.845 1.00 0.00 H new ATOM 560 N VAL A 39 2.523 -9.126 -0.267 1.00 0.00 N ATOM 561 CA VAL A 39 1.793 -7.881 -0.110 1.00 0.00 C ATOM 562 C VAL A 39 0.300 -8.141 -0.315 1.00 0.00 C ATOM 563 O VAL A 39 -0.540 -7.481 0.296 1.00 0.00 O ATOM 564 CB VAL A 39 2.353 -6.821 -1.061 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.463 -5.576 -1.079 1.00 0.00 C ATOM 566 CG2 VAL A 39 3.793 -6.462 -0.696 1.00 0.00 C ATOM 0 H VAL A 39 3.381 -9.050 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 39 1.919 -7.490 0.900 1.00 0.00 H new ATOM 0 HB VAL A 39 2.359 -7.242 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.883 -4.838 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.462 -5.849 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.410 -5.152 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.166 -5.707 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.824 -6.070 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.418 -7.353 -0.760 1.00 0.00 H new ATOM 576 N ALA A 40 0.013 -9.104 -1.180 1.00 0.00 N ATOM 577 CA ALA A 40 -1.365 -9.460 -1.474 1.00 0.00 C ATOM 578 C ALA A 40 -2.049 -9.936 -0.192 1.00 0.00 C ATOM 579 O ALA A 40 -3.112 -9.434 0.172 1.00 0.00 O ATOM 580 CB ALA A 40 -1.394 -10.518 -2.578 1.00 0.00 C ATOM 0 H ALA A 40 0.711 -9.648 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.916 -8.593 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.427 -10.785 -2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.922 -10.120 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.853 -11.404 -2.247 1.00 0.00 H new ATOM 586 N GLU A 41 -1.412 -10.898 0.459 1.00 0.00 N ATOM 587 CA GLU A 41 -1.947 -11.447 1.694 1.00 0.00 C ATOM 588 C GLU A 41 -2.106 -10.343 2.741 1.00 0.00 C ATOM 589 O GLU A 41 -3.145 -10.245 3.393 1.00 0.00 O ATOM 590 CB GLU A 41 -1.060 -12.578 2.219 1.00 0.00 C ATOM 591 CG GLU A 41 -1.713 -13.276 3.415 1.00 0.00 C ATOM 592 CD GLU A 41 -0.702 -13.495 4.541 1.00 0.00 C ATOM 593 OE1 GLU A 41 0.074 -12.549 4.799 1.00 0.00 O ATOM 594 OE2 GLU A 41 -0.727 -14.603 5.119 1.00 0.00 O ATOM 0 H GLU A 41 -0.531 -11.311 0.155 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.931 -11.867 1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.879 -13.302 1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.089 -12.178 2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.546 -12.675 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.126 -14.235 3.100 1.00 0.00 H new ATOM 599 N GLN A 42 -1.060 -9.539 2.871 1.00 0.00 N ATOM 600 CA GLN A 42 -1.070 -8.447 3.827 1.00 0.00 C ATOM 601 C GLN A 42 -2.107 -7.396 3.423 1.00 0.00 C ATOM 602 O GLN A 42 -2.801 -6.844 4.274 1.00 0.00 O ATOM 603 CB GLN A 42 0.319 -7.821 3.961 1.00 0.00 C ATOM 604 CG GLN A 42 0.818 -7.896 5.406 1.00 0.00 C ATOM 605 CD GLN A 42 2.297 -7.518 5.496 1.00 0.00 C ATOM 606 OE1 GLN A 42 3.123 -7.943 4.705 1.00 0.00 O ATOM 607 NE2 GLN A 42 2.585 -6.696 6.501 1.00 0.00 N ATOM 0 H GLN A 42 -0.200 -9.623 2.329 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.347 -8.848 4.802 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.019 -8.337 3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.286 -6.781 3.638 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.229 -7.226 6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.673 -8.905 5.793 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.846 -6.378 7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.545 -6.384 6.646 1.00 0.00 H new ATOM 614 N VAL A 43 -2.179 -7.152 2.122 1.00 0.00 N ATOM 615 CA VAL A 43 -3.119 -6.178 1.594 1.00 0.00 C ATOM 616 C VAL A 43 -4.545 -6.703 1.774 1.00 0.00 C ATOM 617 O VAL A 43 -5.455 -5.940 2.092 1.00 0.00 O ATOM 618 CB VAL A 43 -2.779 -5.860 0.137 1.00 0.00 C ATOM 619 CG1 VAL A 43 -3.990 -5.277 -0.594 1.00 0.00 C ATOM 620 CG2 VAL A 43 -1.578 -4.916 0.048 1.00 0.00 C ATOM 0 H VAL A 43 -1.602 -7.612 1.418 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.046 -5.239 2.143 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.508 -6.794 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.721 -5.060 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.808 -5.997 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.305 -4.358 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.357 -4.706 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.809 -3.984 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.712 -5.385 0.515 1.00 0.00 H new ATOM 630 N MET A 44 -4.694 -8.003 1.562 1.00 0.00 N ATOM 631 CA MET A 44 -5.995 -8.638 1.696 1.00 0.00 C ATOM 632 C MET A 44 -6.536 -8.483 3.120 1.00 0.00 C ATOM 633 O MET A 44 -7.708 -8.163 3.310 1.00 0.00 O ATOM 634 CB MET A 44 -5.875 -10.124 1.356 1.00 0.00 C ATOM 635 CG MET A 44 -6.738 -10.480 0.144 1.00 0.00 C ATOM 636 SD MET A 44 -8.161 -11.423 0.663 1.00 0.00 S ATOM 637 CE MET A 44 -9.270 -11.084 -0.693 1.00 0.00 C ATOM 0 H MET A 44 -3.936 -8.633 1.299 1.00 0.00 H new ATOM 0 HA MET A 44 -6.688 -8.153 1.008 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.833 -10.371 1.150 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.181 -10.723 2.214 1.00 0.00 H new ATOM 0 HG2 MET A 44 -7.060 -9.570 -0.363 1.00 0.00 H new ATOM 0 HG3 MET A 44 -6.152 -11.055 -0.573 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.215 -11.601 -0.528 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.450 -10.011 -0.757 1.00 0.00 H new ATOM 0 HE3 MET A 44 -8.824 -11.433 -1.624 1.00 0.00 H new ATOM 645 N LYS A 45 -5.655 -8.715 4.083 1.00 0.00 N ATOM 646 CA LYS A 45 -6.030 -8.605 5.481 1.00 0.00 C ATOM 647 C LYS A 45 -6.013 -7.133 5.896 1.00 0.00 C ATOM 648 O LYS A 45 -6.625 -6.757 6.894 1.00 0.00 O ATOM 649 CB LYS A 45 -5.137 -9.498 6.347 1.00 0.00 C ATOM 650 CG LYS A 45 -5.815 -10.840 6.630 1.00 0.00 C ATOM 651 CD LYS A 45 -4.794 -11.883 7.091 1.00 0.00 C ATOM 652 CE LYS A 45 -5.302 -13.302 6.828 1.00 0.00 C ATOM 653 NZ LYS A 45 -4.356 -14.300 7.374 1.00 0.00 N ATOM 0 H LYS A 45 -4.683 -8.979 3.921 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.047 -8.967 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.186 -9.666 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.914 -8.993 7.287 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.580 -10.711 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.321 -11.193 5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.850 -11.728 6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.594 -11.756 8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.283 -13.434 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.426 -13.458 5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.716 -15.258 7.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.428 -14.184 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.259 -14.161 8.400 1.00 0.00 H new ATOM 663 N ALA A 46 -5.305 -6.338 5.107 1.00 0.00 N ATOM 664 CA ALA A 46 -5.200 -4.914 5.379 1.00 0.00 C ATOM 665 C ALA A 46 -6.576 -4.265 5.215 1.00 0.00 C ATOM 666 O ALA A 46 -7.100 -3.669 6.155 1.00 0.00 O ATOM 667 CB ALA A 46 -4.149 -4.294 4.456 1.00 0.00 C ATOM 0 H ALA A 46 -4.799 -6.653 4.279 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.875 -4.742 6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.070 -3.226 4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.184 -4.769 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.443 -4.444 3.417 1.00 0.00 H new ATOM 673 N ASP A 47 -7.120 -4.402 4.015 1.00 0.00 N ATOM 674 CA ASP A 47 -8.424 -3.837 3.717 1.00 0.00 C ATOM 675 C ASP A 47 -9.498 -4.602 4.494 1.00 0.00 C ATOM 676 O ASP A 47 -10.637 -4.149 4.596 1.00 0.00 O ATOM 677 CB ASP A 47 -8.747 -3.954 2.226 1.00 0.00 C ATOM 678 CG ASP A 47 -8.329 -5.274 1.575 1.00 0.00 C ATOM 679 OD1 ASP A 47 -8.704 -6.327 2.134 1.00 0.00 O ATOM 680 OD2 ASP A 47 -7.642 -5.200 0.534 1.00 0.00 O ATOM 0 H ASP A 47 -6.681 -4.896 3.238 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.408 -2.785 4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.821 -3.824 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.258 -3.135 1.698 1.00 0.00 H new ATOM 684 N ALA A 48 -9.096 -5.748 5.023 1.00 0.00 N ATOM 685 CA ALA A 48 -10.009 -6.581 5.787 1.00 0.00 C ATOM 686 C ALA A 48 -11.107 -7.110 4.862 1.00 0.00 C ATOM 687 O ALA A 48 -11.085 -8.276 4.470 1.00 0.00 O ATOM 688 CB ALA A 48 -10.571 -5.776 6.960 1.00 0.00 C ATOM 0 H ALA A 48 -8.150 -6.120 4.938 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.487 -7.443 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.256 -6.400 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.753 -5.449 7.602 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.105 -4.905 6.581 1.00 0.00 H new ATOM 694 N ASN A 49 -12.041 -6.226 4.540 1.00 0.00 N ATOM 695 CA ASN A 49 -13.144 -6.590 3.668 1.00 0.00 C ATOM 696 C ASN A 49 -12.624 -7.475 2.534 1.00 0.00 C ATOM 697 O ASN A 49 -13.201 -8.520 2.242 1.00 0.00 O ATOM 698 CB ASN A 49 -13.785 -5.348 3.044 1.00 0.00 C ATOM 699 CG ASN A 49 -15.173 -5.668 2.487 1.00 0.00 C ATOM 700 OD1 ASN A 49 -15.781 -6.677 2.807 1.00 0.00 O ATOM 701 ND2 ASN A 49 -15.638 -4.757 1.638 1.00 0.00 N ATOM 0 H ASN A 49 -12.056 -5.260 4.867 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.887 -7.117 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.863 -4.560 3.793 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.148 -4.968 2.246 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -16.556 -4.880 1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.077 -3.935 1.414 1.00 0.00 H new ATOM 707 N GLY A 50 -11.537 -7.022 1.925 1.00 0.00 N ATOM 708 CA GLY A 50 -10.932 -7.760 0.830 1.00 0.00 C ATOM 709 C GLY A 50 -11.235 -7.094 -0.514 1.00 0.00 C ATOM 710 O GLY A 50 -11.740 -7.738 -1.431 1.00 0.00 O ATOM 0 H GLY A 50 -11.061 -6.154 2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.853 -7.816 0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.307 -8.783 0.825 1.00 0.00 H new ATOM 714 N ASP A 51 -10.912 -5.811 -0.586 1.00 0.00 N ATOM 715 CA ASP A 51 -11.144 -5.049 -1.803 1.00 0.00 C ATOM 716 C ASP A 51 -11.093 -3.555 -1.481 1.00 0.00 C ATOM 717 O ASP A 51 -12.081 -2.843 -1.660 1.00 0.00 O ATOM 718 CB ASP A 51 -12.520 -5.359 -2.393 1.00 0.00 C ATOM 719 CG ASP A 51 -13.651 -5.481 -1.370 1.00 0.00 C ATOM 720 OD1 ASP A 51 -13.348 -5.318 -0.167 1.00 0.00 O ATOM 721 OD2 ASP A 51 -14.793 -5.732 -1.812 1.00 0.00 O ATOM 0 H ASP A 51 -10.492 -5.280 0.177 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.373 -5.322 -2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.778 -4.575 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.456 -6.291 -2.954 1.00 0.00 H new ATOM 725 N GLY A 52 -9.932 -3.122 -1.011 1.00 0.00 N ATOM 726 CA GLY A 52 -9.739 -1.724 -0.663 1.00 0.00 C ATOM 727 C GLY A 52 -8.390 -1.213 -1.171 1.00 0.00 C ATOM 728 O GLY A 52 -7.917 -1.640 -2.225 1.00 0.00 O ATOM 0 H GLY A 52 -9.115 -3.715 -0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.543 -1.125 -1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.793 -1.604 0.419 1.00 0.00 H new ATOM 732 N TYR A 53 -7.807 -0.307 -0.400 1.00 0.00 N ATOM 733 CA TYR A 53 -6.522 0.266 -0.759 1.00 0.00 C ATOM 734 C TYR A 53 -5.891 0.989 0.433 1.00 0.00 C ATOM 735 O TYR A 53 -6.553 1.222 1.443 1.00 0.00 O ATOM 736 CB TYR A 53 -6.808 1.285 -1.864 1.00 0.00 C ATOM 737 CG TYR A 53 -8.060 2.130 -1.623 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.176 2.875 -0.466 1.00 0.00 C ATOM 739 CD2 TYR A 53 -9.072 2.148 -2.559 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.355 3.671 -0.238 1.00 0.00 C ATOM 741 CE2 TYR A 53 -10.251 2.943 -2.332 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.334 3.666 -1.182 1.00 0.00 C ATOM 743 OH TYR A 53 -11.447 4.417 -0.967 1.00 0.00 O ATOM 0 H TYR A 53 -8.202 0.044 0.472 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.830 -0.514 -1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.949 1.948 -1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.915 0.757 -2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.383 2.861 0.267 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.980 1.565 -3.464 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.459 4.258 0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -11.051 2.965 -3.057 1.00 0.00 H new ATOM 0 HH TYR A 53 -12.060 4.317 -1.725 1.00 0.00 H new ATOM 752 N ILE A 54 -4.618 1.324 0.276 1.00 0.00 N ATOM 753 CA ILE A 54 -3.892 2.015 1.327 1.00 0.00 C ATOM 754 C ILE A 54 -3.846 3.511 1.011 1.00 0.00 C ATOM 755 O ILE A 54 -3.082 3.945 0.150 1.00 0.00 O ATOM 756 CB ILE A 54 -2.511 1.387 1.526 1.00 0.00 C ATOM 757 CG1 ILE A 54 -2.513 0.423 2.714 1.00 0.00 C ATOM 758 CG2 ILE A 54 -1.433 2.464 1.662 1.00 0.00 C ATOM 759 CD1 ILE A 54 -3.074 -0.942 2.313 1.00 0.00 C ATOM 0 H ILE A 54 -4.072 1.129 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.408 1.906 2.281 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.270 0.802 0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.498 0.306 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.110 0.841 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.461 1.991 1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.412 3.074 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.656 3.096 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.064 -1.607 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.098 -0.824 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.461 -1.368 1.519 1.00 0.00 H new ATOM 770 N THR A 55 -4.675 4.259 1.724 1.00 0.00 N ATOM 771 CA THR A 55 -4.740 5.698 1.531 1.00 0.00 C ATOM 772 C THR A 55 -3.883 6.416 2.574 1.00 0.00 C ATOM 773 O THR A 55 -3.883 6.042 3.746 1.00 0.00 O ATOM 774 CB THR A 55 -6.212 6.114 1.562 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.614 5.864 2.907 1.00 0.00 O ATOM 776 CG2 THR A 55 -7.101 5.188 0.730 1.00 0.00 C ATOM 0 H THR A 55 -5.308 3.896 2.437 1.00 0.00 H new ATOM 0 HA THR A 55 -4.327 5.986 0.564 1.00 0.00 H new ATOM 0 HB THR A 55 -6.308 7.136 1.194 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.587 5.954 2.980 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.135 5.529 0.787 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.771 5.203 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.032 4.172 1.118 1.00 0.00 H new ATOM 784 N LEU A 56 -3.172 7.434 2.112 1.00 0.00 N ATOM 785 CA LEU A 56 -2.312 8.207 2.992 1.00 0.00 C ATOM 786 C LEU A 56 -2.980 8.341 4.362 1.00 0.00 C ATOM 787 O LEU A 56 -2.317 8.233 5.392 1.00 0.00 O ATOM 788 CB LEU A 56 -1.955 9.548 2.348 1.00 0.00 C ATOM 789 CG LEU A 56 -0.469 9.910 2.332 1.00 0.00 C ATOM 790 CD1 LEU A 56 -0.245 11.286 1.701 1.00 0.00 C ATOM 791 CD2 LEU A 56 0.132 9.820 3.736 1.00 0.00 C ATOM 0 H LEU A 56 -3.174 7.742 1.139 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.364 7.692 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.318 9.543 1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.495 10.336 2.873 1.00 0.00 H new ATOM 0 HG LEU A 56 0.052 9.182 1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.820 11.518 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.614 11.280 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.782 12.041 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.189 10.082 3.697 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.389 10.510 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.024 8.803 4.113 1.00 0.00 H new ATOM 802 N GLU A 57 -4.283 8.574 4.329 1.00 0.00 N ATOM 803 CA GLU A 57 -5.047 8.723 5.555 1.00 0.00 C ATOM 804 C GLU A 57 -5.114 7.391 6.305 1.00 0.00 C ATOM 805 O GLU A 57 -4.769 7.320 7.484 1.00 0.00 O ATOM 806 CB GLU A 57 -6.450 9.260 5.266 1.00 0.00 C ATOM 807 CG GLU A 57 -7.240 8.285 4.390 1.00 0.00 C ATOM 808 CD GLU A 57 -8.503 8.947 3.834 1.00 0.00 C ATOM 809 OE1 GLU A 57 -8.348 9.789 2.923 1.00 0.00 O ATOM 810 OE2 GLU A 57 -9.595 8.596 4.332 1.00 0.00 O ATOM 0 H GLU A 57 -4.829 8.663 3.472 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.539 9.450 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.981 9.424 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.378 10.226 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.614 7.940 3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.513 7.406 4.973 1.00 0.00 H new ATOM 815 N GLU A 58 -5.561 6.369 5.591 1.00 0.00 N ATOM 816 CA GLU A 58 -5.677 5.044 6.174 1.00 0.00 C ATOM 817 C GLU A 58 -4.301 4.529 6.605 1.00 0.00 C ATOM 818 O GLU A 58 -4.168 3.911 7.660 1.00 0.00 O ATOM 819 CB GLU A 58 -6.344 4.071 5.199 1.00 0.00 C ATOM 820 CG GLU A 58 -6.651 2.736 5.879 1.00 0.00 C ATOM 821 CD GLU A 58 -8.158 2.544 6.057 1.00 0.00 C ATOM 822 OE1 GLU A 58 -8.739 3.318 6.848 1.00 0.00 O ATOM 823 OE2 GLU A 58 -8.696 1.629 5.397 1.00 0.00 O ATOM 0 H GLU A 58 -5.847 6.432 4.614 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.311 5.114 7.058 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.266 4.509 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.691 3.905 4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.245 1.919 5.283 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.159 2.697 6.851 1.00 0.00 H new ATOM 828 N PHE A 59 -3.313 4.806 5.767 1.00 0.00 N ATOM 829 CA PHE A 59 -1.953 4.380 6.047 1.00 0.00 C ATOM 830 C PHE A 59 -1.410 5.068 7.301 1.00 0.00 C ATOM 831 O PHE A 59 -0.665 4.465 8.072 1.00 0.00 O ATOM 832 CB PHE A 59 -1.099 4.790 4.846 1.00 0.00 C ATOM 833 CG PHE A 59 -0.069 3.739 4.426 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.409 2.422 4.417 1.00 0.00 C ATOM 835 CD2 PHE A 59 1.184 4.121 4.061 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.547 1.445 4.026 1.00 0.00 C ATOM 837 CE2 PHE A 59 2.139 3.146 3.671 1.00 0.00 C ATOM 838 CZ PHE A 59 1.800 1.828 3.663 1.00 0.00 C ATOM 0 H PHE A 59 -3.428 5.320 4.894 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.928 3.303 6.216 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.755 4.999 4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.579 5.718 5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.404 2.119 4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.453 5.167 4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.278 0.399 4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.134 3.450 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.527 1.086 3.368 1.00 0.00 H new ATOM 847 N LEU A 60 -1.806 6.323 7.468 1.00 0.00 N ATOM 848 CA LEU A 60 -1.368 7.099 8.615 1.00 0.00 C ATOM 849 C LEU A 60 -2.088 6.597 9.869 1.00 0.00 C ATOM 850 O LEU A 60 -1.446 6.188 10.835 1.00 0.00 O ATOM 851 CB LEU A 60 -1.559 8.594 8.355 1.00 0.00 C ATOM 852 CG LEU A 60 -0.782 9.539 9.272 1.00 0.00 C ATOM 853 CD1 LEU A 60 0.146 10.449 8.464 1.00 0.00 C ATOM 854 CD2 LEU A 60 -1.731 10.338 10.167 1.00 0.00 C ATOM 0 H LEU A 60 -2.425 6.820 6.828 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.300 6.962 8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.272 8.803 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.621 8.825 8.444 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.152 8.937 9.927 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.686 11.111 9.141 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.858 9.840 7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.444 11.045 7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.153 11.002 10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.405 10.929 9.547 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.313 9.653 10.784 1.00 0.00 H new ATOM 865 N GLU A 61 -3.411 6.645 9.812 1.00 0.00 N ATOM 866 CA GLU A 61 -4.225 6.201 10.931 1.00 0.00 C ATOM 867 C GLU A 61 -3.842 4.774 11.331 1.00 0.00 C ATOM 868 O GLU A 61 -3.932 4.410 12.504 1.00 0.00 O ATOM 869 CB GLU A 61 -5.715 6.295 10.598 1.00 0.00 C ATOM 870 CG GLU A 61 -6.520 6.762 11.812 1.00 0.00 C ATOM 871 CD GLU A 61 -7.893 6.088 11.850 1.00 0.00 C ATOM 872 OE1 GLU A 61 -8.730 6.457 10.999 1.00 0.00 O ATOM 873 OE2 GLU A 61 -8.075 5.220 12.730 1.00 0.00 O ATOM 0 H GLU A 61 -3.939 6.985 9.008 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.034 6.860 11.778 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.863 6.989 9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.080 5.322 10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.973 6.533 12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.643 7.844 11.777 1.00 0.00 H new ATOM 878 N PHE A 62 -3.424 4.006 10.337 1.00 0.00 N ATOM 879 CA PHE A 62 -3.028 2.628 10.571 1.00 0.00 C ATOM 880 C PHE A 62 -2.194 2.506 11.847 1.00 0.00 C ATOM 881 O PHE A 62 -2.399 1.590 12.643 1.00 0.00 O ATOM 882 CB PHE A 62 -2.176 2.198 9.375 1.00 0.00 C ATOM 883 CG PHE A 62 -1.942 0.689 9.288 1.00 0.00 C ATOM 884 CD1 PHE A 62 -1.060 0.087 10.132 1.00 0.00 C ATOM 885 CD2 PHE A 62 -2.614 -0.052 8.367 1.00 0.00 C ATOM 886 CE1 PHE A 62 -0.843 -1.314 10.051 1.00 0.00 C ATOM 887 CE2 PHE A 62 -2.397 -1.452 8.287 1.00 0.00 C ATOM 888 CZ PHE A 62 -1.516 -2.054 9.130 1.00 0.00 C ATOM 0 H PHE A 62 -3.351 4.312 9.367 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.912 2.001 10.686 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.660 2.534 8.458 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.211 2.702 9.429 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.525 0.675 10.863 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.313 0.425 7.696 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.143 -1.792 10.721 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.932 -2.040 7.556 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.351 -3.120 9.068 1.00 0.00 H new ATOM 897 N SER A 63 -1.270 3.444 12.004 1.00 0.00 N ATOM 898 CA SER A 63 -0.404 3.453 13.171 1.00 0.00 C ATOM 899 C SER A 63 -1.141 4.063 14.364 1.00 0.00 C ATOM 900 O SER A 63 -1.048 3.555 15.481 1.00 0.00 O ATOM 901 CB SER A 63 0.887 4.227 12.891 1.00 0.00 C ATOM 902 OG SER A 63 1.940 3.844 13.772 1.00 0.00 O ATOM 0 H SER A 63 -1.103 4.202 11.343 1.00 0.00 H new ATOM 0 HA SER A 63 -0.135 2.423 13.407 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.196 4.056 11.860 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.699 5.296 12.994 1.00 0.00 H new ATOM 0 HG SER A 63 2.690 3.490 13.250 1.00 0.00 H new ATOM 907 N LEU A 64 -1.855 5.144 14.088 1.00 0.00 N ATOM 908 CA LEU A 64 -2.607 5.828 15.127 1.00 0.00 C ATOM 909 C LEU A 64 -3.920 5.083 15.375 1.00 0.00 C ATOM 910 O LEU A 64 -4.471 5.138 16.473 1.00 0.00 O ATOM 911 CB LEU A 64 -2.797 7.304 14.767 1.00 0.00 C ATOM 912 CG LEU A 64 -3.190 8.230 15.920 1.00 0.00 C ATOM 913 CD1 LEU A 64 -2.227 9.415 16.023 1.00 0.00 C ATOM 914 CD2 LEU A 64 -4.644 8.684 15.786 1.00 0.00 C ATOM 0 H LEU A 64 -1.929 5.563 13.161 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.053 5.820 16.066 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.869 7.673 14.331 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.563 7.373 13.994 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.112 7.669 16.851 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.528 10.058 16.850 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.216 9.048 16.198 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.250 9.984 15.094 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.898 9.341 16.618 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.772 9.222 14.847 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.300 7.813 15.798 1.00 0.00 H new TER 925 LEU A 64 HETATM 926 LA LA A 226 -3.408 4.752 -7.094 1.00 0.00 LA