USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=11 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 21 LYS NZ :NH3+ 178:sc= 0.00922 (180deg=-0.0501) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 36:sc= 0.981 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -0.899 (180deg=-2.04) USER MOD Single : A 11 TYR OH : rot -11:sc= 0.717 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -126:sc= -3.3 (180deg=-11.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -4.56! USER MOD Single : A 29 SER OG : rot 103:sc= 1.16 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 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.2!) 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= -0.0164 X(o=-0.016,f=-0.0051) USER MOD Single : A 55 THR OG1 : rot -160:sc= -2.58! USER MOD Single : A 63 SER OG : rot 60:sc= -0.726 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.712 9.792 12.153 1.00 0.00 N ATOM 2 CA SER A 1 4.851 8.348 12.230 1.00 0.00 C ATOM 3 C SER A 1 6.110 7.902 11.484 1.00 0.00 C ATOM 4 O SER A 1 6.033 7.465 10.336 1.00 0.00 O ATOM 5 CB SER A 1 3.618 7.645 11.659 1.00 0.00 C ATOM 6 OG SER A 1 3.583 7.700 10.235 1.00 0.00 O ATOM 0 H1 SER A 1 3.854 10.086 12.662 1.00 0.00 H new ATOM 0 H2 SER A 1 5.543 10.244 12.585 1.00 0.00 H new ATOM 0 H3 SER A 1 4.639 10.081 11.157 1.00 0.00 H new ATOM 0 HA SER A 1 4.941 8.069 13.280 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.612 6.604 11.982 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.717 8.108 12.062 1.00 0.00 H new ATOM 0 HG SER A 1 4.495 7.628 9.882 1.00 0.00 H new ATOM 11 N ASP A 2 7.238 8.027 12.166 1.00 0.00 N ATOM 12 CA ASP A 2 8.512 7.643 11.582 1.00 0.00 C ATOM 13 C ASP A 2 8.476 6.156 11.223 1.00 0.00 C ATOM 14 O ASP A 2 8.992 5.752 10.182 1.00 0.00 O ATOM 15 CB ASP A 2 9.660 7.864 12.568 1.00 0.00 C ATOM 16 CG ASP A 2 9.494 9.070 13.493 1.00 0.00 C ATOM 17 OD1 ASP A 2 8.828 8.898 14.537 1.00 0.00 O ATOM 18 OD2 ASP A 2 10.038 10.137 13.137 1.00 0.00 O ATOM 0 H ASP A 2 7.297 8.389 13.118 1.00 0.00 H new ATOM 0 HA ASP A 2 8.675 8.257 10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 2 9.771 6.969 13.180 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.585 7.982 12.004 1.00 0.00 H new ATOM 22 N ASP A 3 7.861 5.382 12.105 1.00 0.00 N ATOM 23 CA ASP A 3 7.751 3.948 11.894 1.00 0.00 C ATOM 24 C ASP A 3 6.698 3.675 10.819 1.00 0.00 C ATOM 25 O ASP A 3 5.785 2.877 11.027 1.00 0.00 O ATOM 26 CB ASP A 3 7.314 3.236 13.176 1.00 0.00 C ATOM 27 CG ASP A 3 8.406 3.087 14.238 1.00 0.00 C ATOM 28 OD1 ASP A 3 9.129 2.071 14.169 1.00 0.00 O ATOM 29 OD2 ASP A 3 8.492 3.994 15.094 1.00 0.00 O ATOM 0 H ASP A 3 7.434 5.720 12.967 1.00 0.00 H new ATOM 0 HA ASP A 3 8.729 3.575 11.589 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.478 3.784 13.611 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.944 2.244 12.915 1.00 0.00 H new ATOM 33 N LYS A 4 6.860 4.352 9.692 1.00 0.00 N ATOM 34 CA LYS A 4 5.934 4.193 8.583 1.00 0.00 C ATOM 35 C LYS A 4 6.344 5.128 7.443 1.00 0.00 C ATOM 36 O LYS A 4 6.199 4.784 6.271 1.00 0.00 O ATOM 37 CB LYS A 4 4.493 4.393 9.055 1.00 0.00 C ATOM 38 CG LYS A 4 3.556 3.375 8.403 1.00 0.00 C ATOM 39 CD LYS A 4 3.145 2.289 9.401 1.00 0.00 C ATOM 40 CE LYS A 4 3.227 0.900 8.765 1.00 0.00 C ATOM 41 NZ LYS A 4 3.508 -0.125 9.795 1.00 0.00 N ATOM 0 H LYS A 4 7.619 5.012 9.523 1.00 0.00 H new ATOM 0 HA LYS A 4 5.978 3.176 8.193 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.445 4.294 10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.164 5.403 8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.668 3.882 8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.050 2.918 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.793 2.331 10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.128 2.475 9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.289 0.669 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.010 0.886 8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.561 -1.062 9.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.414 0.088 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.747 -0.122 10.504 1.00 0.00 H new ATOM 51 N ILE A 5 6.846 6.292 7.828 1.00 0.00 N ATOM 52 CA ILE A 5 7.277 7.280 6.853 1.00 0.00 C ATOM 53 C ILE A 5 7.969 6.571 5.687 1.00 0.00 C ATOM 54 O ILE A 5 7.912 7.037 4.551 1.00 0.00 O ATOM 55 CB ILE A 5 8.142 8.350 7.521 1.00 0.00 C ATOM 56 CG1 ILE A 5 8.285 9.580 6.622 1.00 0.00 C ATOM 57 CG2 ILE A 5 9.501 7.780 7.934 1.00 0.00 C ATOM 58 CD1 ILE A 5 9.241 9.301 5.461 1.00 0.00 C ATOM 0 H ILE A 5 6.964 6.573 8.801 1.00 0.00 H new ATOM 0 HA ILE A 5 6.417 7.809 6.441 1.00 0.00 H new ATOM 0 HB ILE A 5 7.640 8.674 8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.308 9.866 6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.654 10.422 7.207 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.095 8.562 8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.353 6.961 8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.024 7.410 7.052 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.325 10.191 4.837 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.223 9.039 5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.857 8.474 4.864 1.00 0.00 H new ATOM 69 N GLY A 6 8.607 5.455 6.009 1.00 0.00 N ATOM 70 CA GLY A 6 9.309 4.677 5.003 1.00 0.00 C ATOM 71 C GLY A 6 8.323 3.976 4.065 1.00 0.00 C ATOM 72 O GLY A 6 8.237 4.314 2.886 1.00 0.00 O ATOM 0 H GLY A 6 8.652 5.071 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.965 5.329 4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.944 3.936 5.489 1.00 0.00 H new ATOM 76 N LEU A 7 7.605 3.014 4.625 1.00 0.00 N ATOM 77 CA LEU A 7 6.629 2.264 3.854 1.00 0.00 C ATOM 78 C LEU A 7 5.763 3.236 3.050 1.00 0.00 C ATOM 79 O LEU A 7 5.353 2.929 1.932 1.00 0.00 O ATOM 80 CB LEU A 7 5.825 1.335 4.766 1.00 0.00 C ATOM 81 CG LEU A 7 6.053 -0.165 4.564 1.00 0.00 C ATOM 82 CD1 LEU A 7 7.526 -0.527 4.764 1.00 0.00 C ATOM 83 CD2 LEU A 7 5.132 -0.986 5.469 1.00 0.00 C ATOM 0 H LEU A 7 7.680 2.737 5.604 1.00 0.00 H new ATOM 0 HA LEU A 7 7.130 1.614 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.060 1.582 5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.765 1.544 4.621 1.00 0.00 H new ATOM 0 HG LEU A 7 5.798 -0.414 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.661 -1.598 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.136 0.019 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.832 -0.260 5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.314 -2.048 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.332 -0.739 6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.093 -0.756 5.235 1.00 0.00 H new ATOM 94 N LYS A 8 5.511 4.390 3.651 1.00 0.00 N ATOM 95 CA LYS A 8 4.701 5.409 3.005 1.00 0.00 C ATOM 96 C LYS A 8 5.474 5.993 1.821 1.00 0.00 C ATOM 97 O LYS A 8 4.914 6.181 0.742 1.00 0.00 O ATOM 98 CB LYS A 8 4.251 6.459 4.023 1.00 0.00 C ATOM 99 CG LYS A 8 2.810 6.900 3.754 1.00 0.00 C ATOM 100 CD LYS A 8 2.008 6.973 5.055 1.00 0.00 C ATOM 101 CE LYS A 8 2.428 8.183 5.891 1.00 0.00 C ATOM 102 NZ LYS A 8 3.666 7.888 6.645 1.00 0.00 N ATOM 0 H LYS A 8 5.853 4.642 4.578 1.00 0.00 H new ATOM 0 HA LYS A 8 3.786 4.972 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.328 6.051 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.914 7.323 3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.809 7.875 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.334 6.200 3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.944 7.036 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.158 6.059 5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.587 9.044 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.629 8.450 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.656 8.407 7.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.722 6.867 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.492 8.182 6.085 1.00 0.00 H new ATOM 112 N VAL A 9 6.748 6.264 2.062 1.00 0.00 N ATOM 113 CA VAL A 9 7.603 6.823 1.029 1.00 0.00 C ATOM 114 C VAL A 9 7.520 5.947 -0.224 1.00 0.00 C ATOM 115 O VAL A 9 7.263 6.446 -1.318 1.00 0.00 O ATOM 116 CB VAL A 9 9.031 6.976 1.557 1.00 0.00 C ATOM 117 CG1 VAL A 9 10.027 7.137 0.407 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.130 8.147 2.537 1.00 0.00 C ATOM 0 H VAL A 9 7.209 6.107 2.958 1.00 0.00 H new ATOM 0 HA VAL A 9 7.265 7.821 0.752 1.00 0.00 H new ATOM 0 HB VAL A 9 9.288 6.065 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.034 7.244 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.985 6.258 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.773 8.024 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.155 8.234 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.843 9.069 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.462 7.973 3.381 1.00 0.00 H new ATOM 128 N LEU A 10 7.744 4.657 -0.021 1.00 0.00 N ATOM 129 CA LEU A 10 7.698 3.708 -1.120 1.00 0.00 C ATOM 130 C LEU A 10 6.312 3.750 -1.767 1.00 0.00 C ATOM 131 O LEU A 10 6.167 4.196 -2.904 1.00 0.00 O ATOM 132 CB LEU A 10 8.111 2.314 -0.643 1.00 0.00 C ATOM 133 CG LEU A 10 9.360 1.722 -1.300 1.00 0.00 C ATOM 134 CD1 LEU A 10 10.303 1.130 -0.252 1.00 0.00 C ATOM 135 CD2 LEU A 10 8.981 0.701 -2.374 1.00 0.00 C ATOM 0 H LEU A 10 7.958 4.247 0.888 1.00 0.00 H new ATOM 0 HA LEU A 10 8.419 3.983 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.276 2.354 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.278 1.632 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 10 9.900 2.528 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.182 0.716 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.611 1.911 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.789 0.340 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.886 0.295 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.407 -0.108 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.379 1.187 -3.142 1.00 0.00 H new ATOM 146 N TYR A 11 5.328 3.281 -1.014 1.00 0.00 N ATOM 147 CA TYR A 11 3.959 3.260 -1.500 1.00 0.00 C ATOM 148 C TYR A 11 3.603 4.576 -2.194 1.00 0.00 C ATOM 149 O TYR A 11 3.065 4.573 -3.300 1.00 0.00 O ATOM 150 CB TYR A 11 3.075 3.094 -0.262 1.00 0.00 C ATOM 151 CG TYR A 11 1.813 3.961 -0.278 1.00 0.00 C ATOM 152 CD1 TYR A 11 1.053 4.051 -1.426 1.00 0.00 C ATOM 153 CD2 TYR A 11 1.436 4.650 0.856 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.135 4.866 -1.441 1.00 0.00 C ATOM 155 CE2 TYR A 11 0.248 5.465 0.841 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.477 5.533 -0.307 1.00 0.00 C ATOM 157 OH TYR A 11 -1.598 6.302 -0.321 1.00 0.00 O ATOM 0 H TYR A 11 5.452 2.913 -0.071 1.00 0.00 H new ATOM 0 HA TYR A 11 3.821 2.456 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.783 2.047 -0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.660 3.338 0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.349 3.511 -2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.031 4.579 1.755 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.740 4.945 -2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.060 6.009 1.722 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.917 6.398 -1.243 1.00 0.00 H new ATOM 166 N LYS A 12 3.917 5.670 -1.515 1.00 0.00 N ATOM 167 CA LYS A 12 3.637 6.990 -2.053 1.00 0.00 C ATOM 168 C LYS A 12 4.321 7.138 -3.413 1.00 0.00 C ATOM 169 O LYS A 12 3.779 7.769 -4.320 1.00 0.00 O ATOM 170 CB LYS A 12 4.030 8.073 -1.046 1.00 0.00 C ATOM 171 CG LYS A 12 3.976 9.463 -1.685 1.00 0.00 C ATOM 172 CD LYS A 12 5.281 9.781 -2.418 1.00 0.00 C ATOM 173 CE LYS A 12 5.633 11.263 -2.292 1.00 0.00 C ATOM 174 NZ LYS A 12 6.518 11.489 -1.126 1.00 0.00 N ATOM 0 H LYS A 12 4.362 5.669 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 12 2.567 7.114 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.359 8.037 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.036 7.879 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.141 9.514 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.794 10.214 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.089 9.175 -2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.185 9.515 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.126 11.604 -3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.722 11.851 -2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.747 12.501 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.034 11.182 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.395 10.943 -1.245 1.00 0.00 H new ATOM 184 N LEU A 13 5.502 6.546 -3.513 1.00 0.00 N ATOM 185 CA LEU A 13 6.266 6.603 -4.748 1.00 0.00 C ATOM 186 C LEU A 13 5.716 5.567 -5.732 1.00 0.00 C ATOM 187 O LEU A 13 5.878 5.709 -6.942 1.00 0.00 O ATOM 188 CB LEU A 13 7.761 6.448 -4.462 1.00 0.00 C ATOM 189 CG LEU A 13 8.701 7.285 -5.329 1.00 0.00 C ATOM 190 CD1 LEU A 13 9.112 8.571 -4.610 1.00 0.00 C ATOM 191 CD2 LEU A 13 9.914 6.465 -5.774 1.00 0.00 C ATOM 0 H LEU A 13 5.949 6.024 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 13 6.156 7.580 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.939 6.704 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.027 5.398 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 13 8.162 7.578 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.781 9.147 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.224 9.163 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.624 8.321 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.566 7.085 -6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.462 6.121 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.579 5.605 -6.353 1.00 0.00 H new ATOM 202 N MET A 14 5.079 4.549 -5.173 1.00 0.00 N ATOM 203 CA MET A 14 4.506 3.490 -5.986 1.00 0.00 C ATOM 204 C MET A 14 3.204 3.949 -6.645 1.00 0.00 C ATOM 205 O MET A 14 2.946 3.633 -7.807 1.00 0.00 O ATOM 206 CB MET A 14 4.230 2.266 -5.110 1.00 0.00 C ATOM 207 CG MET A 14 5.537 1.618 -4.647 1.00 0.00 C ATOM 208 SD MET A 14 5.266 -0.108 -4.280 1.00 0.00 S ATOM 209 CE MET A 14 6.952 -0.694 -4.288 1.00 0.00 C ATOM 0 H MET A 14 4.947 4.435 -4.168 1.00 0.00 H new ATOM 0 HA MET A 14 5.218 3.234 -6.770 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.639 2.561 -4.243 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.638 1.541 -5.668 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.297 1.719 -5.422 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.914 2.132 -3.763 1.00 0.00 H new ATOM 0 HE1 MET A 14 7.042 -1.535 -4.976 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.615 0.110 -4.609 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.230 -1.015 -3.284 1.00 0.00 H new ATOM 217 N ASP A 15 2.416 4.686 -5.876 1.00 0.00 N ATOM 218 CA ASP A 15 1.147 5.192 -6.371 1.00 0.00 C ATOM 219 C ASP A 15 1.313 5.638 -7.826 1.00 0.00 C ATOM 220 O ASP A 15 1.777 6.746 -8.090 1.00 0.00 O ATOM 221 CB ASP A 15 0.679 6.399 -5.557 1.00 0.00 C ATOM 222 CG ASP A 15 -0.386 7.263 -6.234 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.338 6.666 -6.780 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.224 8.503 -6.191 1.00 0.00 O ATOM 0 H ASP A 15 2.632 4.945 -4.913 1.00 0.00 H new ATOM 0 HA ASP A 15 0.410 4.393 -6.286 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.286 6.045 -4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.543 7.024 -5.333 1.00 0.00 H new ATOM 228 N VAL A 16 0.924 4.752 -8.731 1.00 0.00 N ATOM 229 CA VAL A 16 1.024 5.041 -10.152 1.00 0.00 C ATOM 230 C VAL A 16 -0.333 4.795 -10.813 1.00 0.00 C ATOM 231 O VAL A 16 -0.638 3.672 -11.213 1.00 0.00 O ATOM 232 CB VAL A 16 2.152 4.216 -10.775 1.00 0.00 C ATOM 233 CG1 VAL A 16 2.003 2.734 -10.430 1.00 0.00 C ATOM 234 CG2 VAL A 16 2.210 4.425 -12.289 1.00 0.00 C ATOM 0 H VAL A 16 0.539 3.834 -8.508 1.00 0.00 H new ATOM 0 HA VAL A 16 1.279 6.088 -10.313 1.00 0.00 H new ATOM 0 HB VAL A 16 3.095 4.563 -10.352 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.818 2.171 -10.885 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.035 2.607 -9.348 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.050 2.366 -10.811 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.020 3.828 -12.708 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.264 4.118 -12.735 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.387 5.479 -12.504 1.00 0.00 H new ATOM 244 N ASP A 17 -1.111 5.863 -10.911 1.00 0.00 N ATOM 245 CA ASP A 17 -2.428 5.777 -11.519 1.00 0.00 C ATOM 246 C ASP A 17 -3.035 7.178 -11.610 1.00 0.00 C ATOM 247 O ASP A 17 -3.310 7.670 -12.703 1.00 0.00 O ATOM 248 CB ASP A 17 -3.366 4.908 -10.679 1.00 0.00 C ATOM 249 CG ASP A 17 -3.339 3.416 -11.015 1.00 0.00 C ATOM 250 OD1 ASP A 17 -2.963 3.100 -12.164 1.00 0.00 O ATOM 251 OD2 ASP A 17 -3.696 2.625 -10.115 1.00 0.00 O ATOM 0 H ASP A 17 -0.854 6.793 -10.579 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.315 5.333 -12.508 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.108 5.033 -9.627 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.385 5.275 -10.803 1.00 0.00 H new ATOM 255 N GLY A 18 -3.227 7.781 -10.446 1.00 0.00 N ATOM 256 CA GLY A 18 -3.797 9.116 -10.380 1.00 0.00 C ATOM 257 C GLY A 18 -4.898 9.191 -9.320 1.00 0.00 C ATOM 258 O GLY A 18 -6.072 9.356 -9.649 1.00 0.00 O ATOM 0 H GLY A 18 -2.998 7.370 -9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.014 9.838 -10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.205 9.390 -11.353 1.00 0.00 H new ATOM 262 N ASP A 19 -4.480 9.065 -8.069 1.00 0.00 N ATOM 263 CA ASP A 19 -5.416 9.116 -6.958 1.00 0.00 C ATOM 264 C ASP A 19 -4.646 9.366 -5.660 1.00 0.00 C ATOM 265 O ASP A 19 -5.005 10.250 -4.882 1.00 0.00 O ATOM 266 CB ASP A 19 -6.171 7.793 -6.813 1.00 0.00 C ATOM 267 CG ASP A 19 -6.219 6.934 -8.077 1.00 0.00 C ATOM 268 OD1 ASP A 19 -5.276 6.133 -8.257 1.00 0.00 O ATOM 269 OD2 ASP A 19 -7.198 7.097 -8.838 1.00 0.00 O ATOM 0 H ASP A 19 -3.506 8.928 -7.800 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.128 9.918 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.707 7.213 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.192 8.008 -6.499 1.00 0.00 H new ATOM 273 N GLY A 20 -3.602 8.573 -5.465 1.00 0.00 N ATOM 274 CA GLY A 20 -2.779 8.698 -4.274 1.00 0.00 C ATOM 275 C GLY A 20 -3.061 7.559 -3.292 1.00 0.00 C ATOM 276 O GLY A 20 -2.427 7.469 -2.242 1.00 0.00 O ATOM 0 H GLY A 20 -3.307 7.842 -6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.725 8.690 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.974 9.656 -3.792 1.00 0.00 H new ATOM 280 N LYS A 21 -4.014 6.718 -3.668 1.00 0.00 N ATOM 281 CA LYS A 21 -4.386 5.589 -2.833 1.00 0.00 C ATOM 282 C LYS A 21 -3.662 4.334 -3.325 1.00 0.00 C ATOM 283 O LYS A 21 -3.399 4.193 -4.518 1.00 0.00 O ATOM 284 CB LYS A 21 -5.909 5.440 -2.782 1.00 0.00 C ATOM 285 CG LYS A 21 -6.478 5.155 -4.175 1.00 0.00 C ATOM 286 CD LYS A 21 -7.692 6.040 -4.462 1.00 0.00 C ATOM 287 CE LYS A 21 -8.485 5.512 -5.659 1.00 0.00 C ATOM 288 NZ LYS A 21 -9.805 6.176 -5.740 1.00 0.00 N ATOM 0 H LYS A 21 -4.539 6.796 -4.539 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.069 5.756 -1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.176 4.630 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.354 6.351 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.710 5.330 -4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.763 4.105 -4.248 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.335 6.077 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.364 7.060 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.926 5.687 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.619 4.434 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.316 5.831 -6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.355 5.960 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.672 7.205 -5.815 1.00 0.00 H new ATOM 298 N LEU A 22 -3.359 3.456 -2.380 1.00 0.00 N ATOM 299 CA LEU A 22 -2.670 2.219 -2.701 1.00 0.00 C ATOM 300 C LEU A 22 -3.697 1.099 -2.880 1.00 0.00 C ATOM 301 O LEU A 22 -4.083 0.446 -1.912 1.00 0.00 O ATOM 302 CB LEU A 22 -1.602 1.911 -1.651 1.00 0.00 C ATOM 303 CG LEU A 22 -0.371 1.150 -2.149 1.00 0.00 C ATOM 304 CD1 LEU A 22 0.169 1.765 -3.441 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.702 1.071 -1.060 1.00 0.00 C ATOM 0 H LEU A 22 -3.579 3.578 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.136 2.316 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.270 2.852 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.064 1.332 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.672 0.128 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.043 1.205 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.601 1.726 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.450 2.803 -3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.566 0.525 -1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.006 2.078 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.299 0.553 -0.189 1.00 0.00 H new ATOM 316 N THR A 23 -4.112 0.912 -4.124 1.00 0.00 N ATOM 317 CA THR A 23 -5.088 -0.118 -4.441 1.00 0.00 C ATOM 318 C THR A 23 -4.383 -1.414 -4.845 1.00 0.00 C ATOM 319 O THR A 23 -3.197 -1.405 -5.171 1.00 0.00 O ATOM 320 CB THR A 23 -6.018 0.431 -5.525 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.417 0.010 -6.745 1.00 0.00 O ATOM 322 CG2 THR A 23 -5.990 1.959 -5.603 1.00 0.00 C ATOM 0 H THR A 23 -3.791 1.456 -4.925 1.00 0.00 H new ATOM 0 HA THR A 23 -5.693 -0.372 -3.571 1.00 0.00 H new ATOM 0 HB THR A 23 -7.037 0.097 -5.331 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.957 0.323 -7.501 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.667 2.296 -6.388 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.305 2.378 -4.647 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.978 2.293 -5.829 1.00 0.00 H new ATOM 330 N LYS A 24 -5.143 -2.499 -4.811 1.00 0.00 N ATOM 331 CA LYS A 24 -4.606 -3.801 -5.169 1.00 0.00 C ATOM 332 C LYS A 24 -4.015 -3.733 -6.579 1.00 0.00 C ATOM 333 O LYS A 24 -2.805 -3.864 -6.757 1.00 0.00 O ATOM 334 CB LYS A 24 -5.672 -4.884 -4.999 1.00 0.00 C ATOM 335 CG LYS A 24 -5.078 -6.277 -5.222 1.00 0.00 C ATOM 336 CD LYS A 24 -5.534 -6.861 -6.560 1.00 0.00 C ATOM 337 CE LYS A 24 -6.673 -7.864 -6.362 1.00 0.00 C ATOM 338 NZ LYS A 24 -6.132 -9.221 -6.126 1.00 0.00 N ATOM 0 H LYS A 24 -6.127 -2.503 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.794 -4.078 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.101 -4.823 -3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.485 -4.714 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.990 -6.220 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.380 -6.939 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.863 -6.057 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.694 -7.352 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.291 -7.560 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.317 -7.870 -7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.917 -9.890 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.562 -9.515 -6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.536 -9.214 -5.274 1.00 0.00 H new ATOM 348 N GLU A 25 -4.898 -3.529 -7.546 1.00 0.00 N ATOM 349 CA GLU A 25 -4.480 -3.443 -8.935 1.00 0.00 C ATOM 350 C GLU A 25 -3.175 -2.651 -9.048 1.00 0.00 C ATOM 351 O GLU A 25 -2.211 -3.118 -9.652 1.00 0.00 O ATOM 352 CB GLU A 25 -5.576 -2.819 -9.800 1.00 0.00 C ATOM 353 CG GLU A 25 -5.994 -3.771 -10.925 1.00 0.00 C ATOM 354 CD GLU A 25 -6.966 -3.086 -11.889 1.00 0.00 C ATOM 355 OE1 GLU A 25 -7.879 -2.399 -11.382 1.00 0.00 O ATOM 356 OE2 GLU A 25 -6.773 -3.265 -13.110 1.00 0.00 O ATOM 0 H GLU A 25 -5.901 -3.421 -7.395 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.303 -4.453 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.441 -2.579 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.219 -1.881 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.111 -4.106 -11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.462 -4.659 -10.500 1.00 0.00 H new ATOM 361 N GLU A 26 -3.188 -1.464 -8.458 1.00 0.00 N ATOM 362 CA GLU A 26 -2.018 -0.603 -8.485 1.00 0.00 C ATOM 363 C GLU A 26 -0.853 -1.265 -7.747 1.00 0.00 C ATOM 364 O GLU A 26 0.302 -1.120 -8.143 1.00 0.00 O ATOM 365 CB GLU A 26 -2.335 0.771 -7.890 1.00 0.00 C ATOM 366 CG GLU A 26 -1.157 1.730 -8.066 1.00 0.00 C ATOM 367 CD GLU A 26 -1.549 3.159 -7.683 1.00 0.00 C ATOM 368 OE1 GLU A 26 -1.932 3.345 -6.507 1.00 0.00 O ATOM 369 OE2 GLU A 26 -1.460 4.031 -8.574 1.00 0.00 O ATOM 0 H GLU A 26 -3.990 -1.079 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.725 -0.454 -9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.220 1.185 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.569 0.667 -6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.321 1.401 -7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.817 1.708 -9.101 1.00 0.00 H new ATOM 374 N VAL A 27 -1.197 -1.978 -6.684 1.00 0.00 N ATOM 375 CA VAL A 27 -0.195 -2.664 -5.886 1.00 0.00 C ATOM 376 C VAL A 27 0.380 -3.831 -6.691 1.00 0.00 C ATOM 377 O VAL A 27 1.529 -3.782 -7.127 1.00 0.00 O ATOM 378 CB VAL A 27 -0.798 -3.099 -4.549 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.124 -4.371 -4.032 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.713 -1.973 -3.516 1.00 0.00 C ATOM 0 H VAL A 27 -2.156 -2.095 -6.357 1.00 0.00 H new ATOM 0 HA VAL A 27 0.631 -1.993 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.852 -3.322 -4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.571 -4.659 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.261 -5.175 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.941 -4.187 -3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.149 -2.309 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.331 -1.703 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.261 -1.104 -3.880 1.00 0.00 H new ATOM 390 N THR A 28 -0.444 -4.853 -6.863 1.00 0.00 N ATOM 391 CA THR A 28 -0.032 -6.031 -7.607 1.00 0.00 C ATOM 392 C THR A 28 0.656 -5.623 -8.911 1.00 0.00 C ATOM 393 O THR A 28 1.537 -6.330 -9.400 1.00 0.00 O ATOM 394 CB THR A 28 -1.265 -6.912 -7.821 1.00 0.00 C ATOM 395 OG1 THR A 28 -1.496 -7.501 -6.544 1.00 0.00 O ATOM 396 CG2 THR A 28 -0.981 -8.105 -8.736 1.00 0.00 C ATOM 0 H THR A 28 -1.396 -4.890 -6.500 1.00 0.00 H new ATOM 0 HA THR A 28 0.706 -6.610 -7.053 1.00 0.00 H new ATOM 0 HB THR A 28 -2.070 -6.313 -8.246 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.280 -8.087 -6.591 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.889 -8.697 -8.854 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.652 -7.746 -9.711 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.199 -8.724 -8.295 1.00 0.00 H new ATOM 404 N SER A 29 0.230 -4.484 -9.437 1.00 0.00 N ATOM 405 CA SER A 29 0.795 -3.974 -10.675 1.00 0.00 C ATOM 406 C SER A 29 2.258 -3.580 -10.460 1.00 0.00 C ATOM 407 O SER A 29 3.141 -4.045 -11.179 1.00 0.00 O ATOM 408 CB SER A 29 -0.006 -2.777 -11.194 1.00 0.00 C ATOM 409 OG SER A 29 -1.189 -3.182 -11.877 1.00 0.00 O ATOM 0 H SER A 29 -0.500 -3.900 -9.029 1.00 0.00 H new ATOM 0 HA SER A 29 0.744 -4.764 -11.425 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.273 -2.130 -10.359 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.617 -2.188 -11.867 1.00 0.00 H new ATOM 0 HG SER A 29 -1.965 -3.049 -11.294 1.00 0.00 H new ATOM 414 N PHE A 30 2.469 -2.729 -9.468 1.00 0.00 N ATOM 415 CA PHE A 30 3.809 -2.268 -9.149 1.00 0.00 C ATOM 416 C PHE A 30 4.586 -3.335 -8.378 1.00 0.00 C ATOM 417 O PHE A 30 5.808 -3.427 -8.498 1.00 0.00 O ATOM 418 CB PHE A 30 3.658 -1.026 -8.267 1.00 0.00 C ATOM 419 CG PHE A 30 4.878 -0.103 -8.278 1.00 0.00 C ATOM 420 CD1 PHE A 30 4.968 0.895 -9.196 1.00 0.00 C ATOM 421 CD2 PHE A 30 5.873 -0.281 -7.368 1.00 0.00 C ATOM 422 CE1 PHE A 30 6.100 1.752 -9.205 1.00 0.00 C ATOM 423 CE2 PHE A 30 7.005 0.575 -7.376 1.00 0.00 C ATOM 424 CZ PHE A 30 7.095 1.574 -8.295 1.00 0.00 C ATOM 0 H PHE A 30 1.734 -2.346 -8.874 1.00 0.00 H new ATOM 0 HA PHE A 30 4.356 -2.051 -10.067 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.786 -0.462 -8.597 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.464 -1.342 -7.242 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.178 1.036 -9.919 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.802 -1.074 -6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.171 2.545 -9.934 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.795 0.433 -6.653 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.956 2.226 -8.302 1.00 0.00 H new ATOM 433 N PHE A 31 3.848 -4.116 -7.602 1.00 0.00 N ATOM 434 CA PHE A 31 4.454 -5.173 -6.810 1.00 0.00 C ATOM 435 C PHE A 31 4.724 -6.411 -7.667 1.00 0.00 C ATOM 436 O PHE A 31 5.523 -7.268 -7.291 1.00 0.00 O ATOM 437 CB PHE A 31 3.454 -5.536 -5.711 1.00 0.00 C ATOM 438 CG PHE A 31 3.398 -4.526 -4.563 1.00 0.00 C ATOM 439 CD1 PHE A 31 3.174 -3.210 -4.825 1.00 0.00 C ATOM 440 CD2 PHE A 31 3.570 -4.944 -3.280 1.00 0.00 C ATOM 441 CE1 PHE A 31 3.121 -2.273 -3.760 1.00 0.00 C ATOM 442 CE2 PHE A 31 3.517 -4.006 -2.215 1.00 0.00 C ATOM 443 CZ PHE A 31 3.294 -2.691 -2.478 1.00 0.00 C ATOM 0 H PHE A 31 2.836 -4.038 -7.505 1.00 0.00 H new ATOM 0 HA PHE A 31 5.405 -4.834 -6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.461 -5.625 -6.152 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.712 -6.515 -5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.036 -2.878 -5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.747 -5.989 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.943 -1.228 -3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.654 -4.337 -1.196 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.254 -1.978 -1.668 1.00 0.00 H new ATOM 452 N LYS A 32 4.044 -6.468 -8.802 1.00 0.00 N ATOM 453 CA LYS A 32 4.201 -7.587 -9.715 1.00 0.00 C ATOM 454 C LYS A 32 5.691 -7.833 -9.961 1.00 0.00 C ATOM 455 O LYS A 32 6.090 -8.940 -10.321 1.00 0.00 O ATOM 456 CB LYS A 32 3.396 -7.352 -10.995 1.00 0.00 C ATOM 457 CG LYS A 32 2.244 -8.352 -11.109 1.00 0.00 C ATOM 458 CD LYS A 32 1.307 -7.981 -12.261 1.00 0.00 C ATOM 459 CE LYS A 32 1.474 -8.946 -13.436 1.00 0.00 C ATOM 460 NZ LYS A 32 0.238 -8.991 -14.248 1.00 0.00 N ATOM 0 H LYS A 32 3.382 -5.756 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 32 3.795 -8.498 -9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.002 -6.336 -11.000 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.050 -7.444 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.642 -9.354 -11.268 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.685 -8.376 -10.174 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.274 -8.000 -11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.515 -6.963 -12.590 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.313 -8.631 -14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.709 -9.944 -13.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.368 -9.651 -15.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.554 -9.313 -13.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.031 -8.041 -14.618 1.00 0.00 H new ATOM 470 N LYS A 33 6.473 -6.783 -9.759 1.00 0.00 N ATOM 471 CA LYS A 33 7.910 -6.871 -9.955 1.00 0.00 C ATOM 472 C LYS A 33 8.555 -7.474 -8.706 1.00 0.00 C ATOM 473 O LYS A 33 9.529 -8.217 -8.803 1.00 0.00 O ATOM 474 CB LYS A 33 8.482 -5.507 -10.345 1.00 0.00 C ATOM 475 CG LYS A 33 8.173 -5.181 -11.808 1.00 0.00 C ATOM 476 CD LYS A 33 8.334 -3.684 -12.081 1.00 0.00 C ATOM 477 CE LYS A 33 9.796 -3.332 -12.362 1.00 0.00 C ATOM 478 NZ LYS A 33 9.886 -2.092 -13.164 1.00 0.00 N ATOM 0 H LYS A 33 6.139 -5.866 -9.461 1.00 0.00 H new ATOM 0 HA LYS A 33 8.141 -7.537 -10.786 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.062 -4.735 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.561 -5.502 -10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.839 -5.747 -12.459 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.155 -5.491 -12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.717 -3.398 -12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.977 -3.114 -11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.332 -3.204 -11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.278 -4.152 -12.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.885 -1.868 -13.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.392 -2.227 -14.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.445 -1.308 -12.642 1.00 0.00 H new ATOM 488 N HIS A 34 7.984 -7.130 -7.560 1.00 0.00 N ATOM 489 CA HIS A 34 8.492 -7.629 -6.292 1.00 0.00 C ATOM 490 C HIS A 34 7.837 -8.973 -5.970 1.00 0.00 C ATOM 491 O HIS A 34 7.839 -9.883 -6.800 1.00 0.00 O ATOM 492 CB HIS A 34 8.295 -6.593 -5.184 1.00 0.00 C ATOM 493 CG HIS A 34 8.933 -5.255 -5.472 1.00 0.00 C ATOM 494 ND1 HIS A 34 10.303 -5.058 -5.452 1.00 0.00 N ATOM 495 CD2 HIS A 34 8.376 -4.050 -5.788 1.00 0.00 C ATOM 496 CE1 HIS A 34 10.548 -3.789 -5.742 1.00 0.00 C ATOM 497 NE2 HIS A 34 9.353 -3.166 -5.950 1.00 0.00 N ATOM 0 H HIS A 34 7.176 -6.513 -7.483 1.00 0.00 H new ATOM 0 HA HIS A 34 9.566 -7.797 -6.367 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.227 -6.447 -5.023 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.706 -6.987 -4.255 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.320 -3.850 -5.889 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.523 -3.329 -5.803 1.00 0.00 H new ATOM 0 HE2 HIS A 34 9.230 -2.182 -6.191 1.00 0.00 H new ATOM 504 N GLY A 35 7.294 -9.057 -4.765 1.00 0.00 N ATOM 505 CA GLY A 35 6.638 -10.276 -4.323 1.00 0.00 C ATOM 506 C GLY A 35 5.171 -10.013 -3.974 1.00 0.00 C ATOM 507 O GLY A 35 4.697 -10.427 -2.918 1.00 0.00 O ATOM 0 H GLY A 35 7.295 -8.301 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.699 -11.031 -5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.157 -10.677 -3.452 1.00 0.00 H new ATOM 511 N ILE A 36 4.494 -9.325 -4.882 1.00 0.00 N ATOM 512 CA ILE A 36 3.091 -9.003 -4.684 1.00 0.00 C ATOM 513 C ILE A 36 2.437 -10.094 -3.835 1.00 0.00 C ATOM 514 O ILE A 36 1.721 -9.797 -2.879 1.00 0.00 O ATOM 515 CB ILE A 36 2.399 -8.772 -6.029 1.00 0.00 C ATOM 516 CG1 ILE A 36 0.884 -8.936 -5.901 1.00 0.00 C ATOM 517 CG2 ILE A 36 2.986 -9.680 -7.111 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.327 -8.052 -4.782 1.00 0.00 C ATOM 0 H ILE A 36 4.891 -8.982 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 36 2.989 -8.067 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 36 2.586 -7.743 -6.337 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.406 -8.677 -6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.644 -9.980 -5.698 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.476 -9.496 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.049 -9.470 -7.225 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.851 -10.723 -6.824 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.752 -8.189 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.789 -8.330 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.547 -7.007 -5.000 1.00 0.00 H new ATOM 529 N GLU A 37 2.704 -11.336 -4.215 1.00 0.00 N ATOM 530 CA GLU A 37 2.150 -12.472 -3.501 1.00 0.00 C ATOM 531 C GLU A 37 2.051 -12.164 -2.005 1.00 0.00 C ATOM 532 O GLU A 37 0.953 -12.069 -1.458 1.00 0.00 O ATOM 533 CB GLU A 37 2.982 -13.733 -3.747 1.00 0.00 C ATOM 534 CG GLU A 37 2.281 -14.668 -4.734 1.00 0.00 C ATOM 535 CD GLU A 37 2.789 -16.104 -4.584 1.00 0.00 C ATOM 536 OE1 GLU A 37 3.985 -16.251 -4.250 1.00 0.00 O ATOM 537 OE2 GLU A 37 1.971 -17.022 -4.809 1.00 0.00 O ATOM 0 H GLU A 37 3.297 -11.579 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 37 1.145 -12.659 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.962 -13.456 -4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.149 -14.253 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.204 -14.640 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.453 -14.322 -5.753 1.00 0.00 H new ATOM 542 N LYS A 38 3.213 -12.014 -1.387 1.00 0.00 N ATOM 543 CA LYS A 38 3.271 -11.718 0.035 1.00 0.00 C ATOM 544 C LYS A 38 2.320 -10.561 0.350 1.00 0.00 C ATOM 545 O LYS A 38 1.304 -10.752 1.015 1.00 0.00 O ATOM 546 CB LYS A 38 4.715 -11.463 0.470 1.00 0.00 C ATOM 547 CG LYS A 38 4.779 -11.031 1.936 1.00 0.00 C ATOM 548 CD LYS A 38 6.176 -11.260 2.517 1.00 0.00 C ATOM 549 CE LYS A 38 6.131 -11.327 4.044 1.00 0.00 C ATOM 550 NZ LYS A 38 7.409 -10.852 4.621 1.00 0.00 N ATOM 0 H LYS A 38 4.121 -12.092 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 38 2.934 -12.576 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.306 -12.368 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.157 -10.691 -0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.515 -9.977 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.044 -11.590 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.591 -12.187 2.121 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.840 -10.454 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.308 -10.717 4.417 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.939 -12.351 4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.362 -10.904 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.188 -11.451 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.576 -9.867 4.331 1.00 0.00 H new ATOM 560 N VAL A 39 2.686 -9.387 -0.143 1.00 0.00 N ATOM 561 CA VAL A 39 1.878 -8.199 0.077 1.00 0.00 C ATOM 562 C VAL A 39 0.405 -8.538 -0.162 1.00 0.00 C ATOM 563 O VAL A 39 -0.479 -7.951 0.460 1.00 0.00 O ATOM 564 CB VAL A 39 2.379 -7.055 -0.807 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.372 -5.903 -0.834 1.00 0.00 C ATOM 566 CG2 VAL A 39 3.755 -6.569 -0.346 1.00 0.00 C ATOM 0 H VAL A 39 3.531 -9.233 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 39 1.970 -7.860 1.109 1.00 0.00 H new ATOM 0 HB VAL A 39 2.481 -7.436 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.752 -5.103 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.421 -6.260 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.225 -5.525 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.088 -5.756 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.690 -6.213 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.468 -7.391 -0.401 1.00 0.00 H new ATOM 576 N ALA A 40 0.188 -9.483 -1.065 1.00 0.00 N ATOM 577 CA ALA A 40 -1.163 -9.907 -1.393 1.00 0.00 C ATOM 578 C ALA A 40 -1.840 -10.458 -0.137 1.00 0.00 C ATOM 579 O ALA A 40 -2.942 -10.040 0.214 1.00 0.00 O ATOM 580 CB ALA A 40 -1.115 -10.932 -2.528 1.00 0.00 C ATOM 0 H ALA A 40 0.924 -9.967 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.756 -9.062 -1.742 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.128 -11.250 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.653 -10.481 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.530 -11.796 -2.213 1.00 0.00 H new ATOM 586 N GLU A 41 -1.152 -11.390 0.507 1.00 0.00 N ATOM 587 CA GLU A 41 -1.672 -12.003 1.717 1.00 0.00 C ATOM 588 C GLU A 41 -1.880 -10.944 2.802 1.00 0.00 C ATOM 589 O GLU A 41 -2.933 -10.899 3.436 1.00 0.00 O ATOM 590 CB GLU A 41 -0.747 -13.117 2.209 1.00 0.00 C ATOM 591 CG GLU A 41 -1.517 -14.142 3.045 1.00 0.00 C ATOM 592 CD GLU A 41 -0.577 -15.213 3.601 1.00 0.00 C ATOM 593 OE1 GLU A 41 -0.145 -16.063 2.792 1.00 0.00 O ATOM 594 OE2 GLU A 41 -0.313 -15.159 4.822 1.00 0.00 O ATOM 0 H GLU A 41 -0.238 -11.735 0.213 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.637 -12.453 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.284 -13.613 1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.059 -12.688 2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.026 -13.638 3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.287 -14.611 2.433 1.00 0.00 H new ATOM 599 N GLN A 42 -0.859 -10.119 2.982 1.00 0.00 N ATOM 600 CA GLN A 42 -0.918 -9.063 3.978 1.00 0.00 C ATOM 601 C GLN A 42 -2.036 -8.074 3.640 1.00 0.00 C ATOM 602 O GLN A 42 -2.805 -7.679 4.515 1.00 0.00 O ATOM 603 CB GLN A 42 0.429 -8.348 4.099 1.00 0.00 C ATOM 604 CG GLN A 42 0.529 -7.586 5.422 1.00 0.00 C ATOM 605 CD GLN A 42 1.235 -8.428 6.487 1.00 0.00 C ATOM 606 OE1 GLN A 42 2.000 -9.332 6.194 1.00 0.00 O ATOM 607 NE2 GLN A 42 0.936 -8.081 7.736 1.00 0.00 N ATOM 0 H GLN A 42 0.013 -10.161 2.455 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.141 -9.515 4.945 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.238 -9.075 4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.553 -7.656 3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.074 -6.655 5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.469 -7.318 5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.287 -7.314 7.911 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.356 -8.582 8.519 1.00 0.00 H new ATOM 614 N VAL A 43 -2.090 -7.704 2.369 1.00 0.00 N ATOM 615 CA VAL A 43 -3.101 -6.769 1.905 1.00 0.00 C ATOM 616 C VAL A 43 -4.482 -7.411 2.037 1.00 0.00 C ATOM 617 O VAL A 43 -5.465 -6.727 2.318 1.00 0.00 O ATOM 618 CB VAL A 43 -2.783 -6.322 0.476 1.00 0.00 C ATOM 619 CG1 VAL A 43 -4.024 -5.744 -0.206 1.00 0.00 C ATOM 620 CG2 VAL A 43 -1.629 -5.318 0.459 1.00 0.00 C ATOM 0 H VAL A 43 -1.450 -8.034 1.646 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.101 -5.869 2.521 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.470 -7.200 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.771 -5.434 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.806 -6.503 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.381 -4.883 0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.424 -5.017 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.901 -4.441 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.739 -5.780 0.887 1.00 0.00 H new ATOM 630 N MET A 44 -4.514 -8.720 1.828 1.00 0.00 N ATOM 631 CA MET A 44 -5.760 -9.461 1.920 1.00 0.00 C ATOM 632 C MET A 44 -6.335 -9.395 3.336 1.00 0.00 C ATOM 633 O MET A 44 -7.535 -9.192 3.514 1.00 0.00 O ATOM 634 CB MET A 44 -5.513 -10.922 1.539 1.00 0.00 C ATOM 635 CG MET A 44 -6.261 -11.288 0.255 1.00 0.00 C ATOM 636 SD MET A 44 -8.005 -11.466 0.593 1.00 0.00 S ATOM 637 CE MET A 44 -8.321 -13.023 -0.222 1.00 0.00 C ATOM 0 H MET A 44 -3.697 -9.285 1.596 1.00 0.00 H new ATOM 0 HA MET A 44 -6.479 -9.012 1.235 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.445 -11.090 1.402 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.837 -11.573 2.351 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.105 -10.516 -0.499 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.865 -12.217 -0.154 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.372 -13.287 -0.108 1.00 0.00 H new ATOM 0 HE2 MET A 44 -8.082 -12.934 -1.282 1.00 0.00 H new ATOM 0 HE3 MET A 44 -7.702 -13.800 0.226 1.00 0.00 H new ATOM 645 N LYS A 45 -5.451 -9.567 4.308 1.00 0.00 N ATOM 646 CA LYS A 45 -5.856 -9.528 5.704 1.00 0.00 C ATOM 647 C LYS A 45 -6.041 -8.073 6.136 1.00 0.00 C ATOM 648 O LYS A 45 -6.761 -7.792 7.093 1.00 0.00 O ATOM 649 CB LYS A 45 -4.865 -10.307 6.571 1.00 0.00 C ATOM 650 CG LYS A 45 -5.013 -11.813 6.355 1.00 0.00 C ATOM 651 CD LYS A 45 -3.646 -12.481 6.188 1.00 0.00 C ATOM 652 CE LYS A 45 -3.780 -14.004 6.154 1.00 0.00 C ATOM 653 NZ LYS A 45 -3.754 -14.558 7.526 1.00 0.00 N ATOM 0 H LYS A 45 -4.456 -9.734 4.157 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.817 -10.024 5.836 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.847 -10.000 6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.030 -10.069 7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.537 -12.256 7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.623 -11.999 5.471 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.177 -12.133 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.992 -12.188 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.712 -14.282 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.968 -14.433 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.846 -15.593 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.854 -14.309 7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.543 -14.162 8.075 1.00 0.00 H new ATOM 663 N ALA A 46 -5.379 -7.184 5.410 1.00 0.00 N ATOM 664 CA ALA A 46 -5.460 -5.764 5.706 1.00 0.00 C ATOM 665 C ALA A 46 -6.760 -5.201 5.128 1.00 0.00 C ATOM 666 O ALA A 46 -7.507 -4.515 5.823 1.00 0.00 O ATOM 667 CB ALA A 46 -4.222 -5.055 5.156 1.00 0.00 C ATOM 0 H ALA A 46 -4.783 -7.420 4.616 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.478 -5.597 6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.284 -3.990 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.328 -5.471 5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.170 -5.198 4.077 1.00 0.00 H new ATOM 673 N ASP A 47 -6.989 -5.511 3.859 1.00 0.00 N ATOM 674 CA ASP A 47 -8.185 -5.044 3.180 1.00 0.00 C ATOM 675 C ASP A 47 -9.147 -6.218 2.985 1.00 0.00 C ATOM 676 O ASP A 47 -9.511 -6.546 1.857 1.00 0.00 O ATOM 677 CB ASP A 47 -7.848 -4.476 1.800 1.00 0.00 C ATOM 678 CG ASP A 47 -9.005 -3.769 1.091 1.00 0.00 C ATOM 679 OD1 ASP A 47 -10.087 -3.691 1.711 1.00 0.00 O ATOM 680 OD2 ASP A 47 -8.781 -3.323 -0.055 1.00 0.00 O ATOM 0 H ASP A 47 -6.366 -6.079 3.285 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.637 -4.263 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.022 -3.773 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.495 -5.289 1.165 1.00 0.00 H new ATOM 684 N ALA A 48 -9.530 -6.820 4.102 1.00 0.00 N ATOM 685 CA ALA A 48 -10.442 -7.950 4.068 1.00 0.00 C ATOM 686 C ALA A 48 -11.853 -7.472 4.415 1.00 0.00 C ATOM 687 O ALA A 48 -12.827 -7.896 3.794 1.00 0.00 O ATOM 688 CB ALA A 48 -9.943 -9.037 5.022 1.00 0.00 C ATOM 0 H ALA A 48 -9.225 -6.546 5.036 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.478 -8.384 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.627 -9.885 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.949 -9.363 4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.896 -8.638 6.035 1.00 0.00 H new ATOM 694 N ASN A 49 -11.919 -6.594 5.405 1.00 0.00 N ATOM 695 CA ASN A 49 -13.196 -6.053 5.842 1.00 0.00 C ATOM 696 C ASN A 49 -13.930 -5.458 4.640 1.00 0.00 C ATOM 697 O ASN A 49 -15.147 -5.280 4.677 1.00 0.00 O ATOM 698 CB ASN A 49 -12.998 -4.941 6.874 1.00 0.00 C ATOM 699 CG ASN A 49 -13.863 -5.182 8.112 1.00 0.00 C ATOM 700 OD1 ASN A 49 -15.062 -5.397 8.032 1.00 0.00 O ATOM 701 ND2 ASN A 49 -13.191 -5.135 9.259 1.00 0.00 N ATOM 0 H ASN A 49 -11.110 -6.244 5.917 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.771 -6.863 6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.948 -4.891 7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -13.252 -3.978 6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.679 -5.284 10.142 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -12.188 -4.950 9.255 1.00 0.00 H new ATOM 707 N GLY A 50 -13.162 -5.167 3.601 1.00 0.00 N ATOM 708 CA GLY A 50 -13.725 -4.595 2.390 1.00 0.00 C ATOM 709 C GLY A 50 -12.870 -4.946 1.169 1.00 0.00 C ATOM 710 O GLY A 50 -12.620 -6.119 0.899 1.00 0.00 O ATOM 0 H GLY A 50 -12.153 -5.317 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.740 -4.965 2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.792 -3.512 2.492 1.00 0.00 H new ATOM 714 N ASP A 51 -12.446 -3.905 0.466 1.00 0.00 N ATOM 715 CA ASP A 51 -11.625 -4.089 -0.719 1.00 0.00 C ATOM 716 C ASP A 51 -11.335 -2.725 -1.349 1.00 0.00 C ATOM 717 O ASP A 51 -11.643 -2.498 -2.518 1.00 0.00 O ATOM 718 CB ASP A 51 -12.346 -4.947 -1.761 1.00 0.00 C ATOM 719 CG ASP A 51 -11.434 -5.609 -2.796 1.00 0.00 C ATOM 720 OD1 ASP A 51 -11.134 -4.933 -3.804 1.00 0.00 O ATOM 721 OD2 ASP A 51 -11.057 -6.776 -2.556 1.00 0.00 O ATOM 0 H ASP A 51 -12.655 -2.933 0.694 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.703 -4.587 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.908 -5.725 -1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.072 -4.324 -2.284 1.00 0.00 H new ATOM 725 N GLY A 52 -10.744 -1.852 -0.546 1.00 0.00 N ATOM 726 CA GLY A 52 -10.409 -0.516 -1.010 1.00 0.00 C ATOM 727 C GLY A 52 -8.904 -0.381 -1.251 1.00 0.00 C ATOM 728 O GLY A 52 -8.243 -1.348 -1.628 1.00 0.00 O ATOM 0 H GLY A 52 -10.489 -2.044 0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.949 -0.301 -1.932 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.730 0.220 -0.273 1.00 0.00 H new ATOM 732 N TYR A 53 -8.406 0.825 -1.022 1.00 0.00 N ATOM 733 CA TYR A 53 -6.992 1.098 -1.210 1.00 0.00 C ATOM 734 C TYR A 53 -6.375 1.692 0.058 1.00 0.00 C ATOM 735 O TYR A 53 -7.092 2.087 0.974 1.00 0.00 O ATOM 736 CB TYR A 53 -6.908 2.132 -2.336 1.00 0.00 C ATOM 737 CG TYR A 53 -8.053 3.148 -2.334 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.317 3.887 -1.200 1.00 0.00 C ATOM 739 CD2 TYR A 53 -8.819 3.324 -3.468 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.394 4.843 -1.198 1.00 0.00 C ATOM 741 CE2 TYR A 53 -9.897 4.281 -3.467 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.130 4.992 -2.332 1.00 0.00 C ATOM 743 OH TYR A 53 -11.147 5.896 -2.330 1.00 0.00 O ATOM 0 H TYR A 53 -8.957 1.624 -0.708 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.452 0.180 -1.443 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.961 2.666 -2.255 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.899 1.612 -3.294 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.716 3.749 -0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.611 2.745 -4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.612 5.428 -0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.505 4.430 -4.347 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.585 5.897 -3.206 1.00 0.00 H new ATOM 752 N ILE A 54 -5.051 1.735 0.068 1.00 0.00 N ATOM 753 CA ILE A 54 -4.329 2.273 1.209 1.00 0.00 C ATOM 754 C ILE A 54 -3.938 3.724 0.921 1.00 0.00 C ATOM 755 O ILE A 54 -2.977 3.978 0.196 1.00 0.00 O ATOM 756 CB ILE A 54 -3.143 1.375 1.565 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.426 0.569 2.835 1.00 0.00 C ATOM 758 CG2 ILE A 54 -1.853 2.190 1.680 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.190 -0.716 2.509 1.00 0.00 C ATOM 0 H ILE A 54 -4.459 1.406 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.967 2.284 2.093 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.002 0.660 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.487 0.322 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.005 1.174 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.025 1.528 1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.646 2.680 0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.967 2.943 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.379 -1.270 3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.139 -0.465 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.597 -1.329 1.830 1.00 0.00 H new ATOM 770 N THR A 55 -4.700 4.636 1.505 1.00 0.00 N ATOM 771 CA THR A 55 -4.445 6.055 1.320 1.00 0.00 C ATOM 772 C THR A 55 -3.616 6.603 2.482 1.00 0.00 C ATOM 773 O THR A 55 -3.886 6.295 3.642 1.00 0.00 O ATOM 774 CB THR A 55 -5.793 6.759 1.148 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.374 6.717 2.448 1.00 0.00 O ATOM 776 CG2 THR A 55 -6.765 5.960 0.279 1.00 0.00 C ATOM 0 H THR A 55 -5.495 4.421 2.107 1.00 0.00 H new ATOM 0 HA THR A 55 -3.851 6.237 0.424 1.00 0.00 H new ATOM 0 HB THR A 55 -5.635 7.742 0.704 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.342 6.850 2.378 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.705 6.504 0.190 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.333 5.816 -0.712 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.950 4.989 0.739 1.00 0.00 H new ATOM 784 N LEU A 56 -2.623 7.408 2.131 1.00 0.00 N ATOM 785 CA LEU A 56 -1.752 8.002 3.130 1.00 0.00 C ATOM 786 C LEU A 56 -2.579 8.380 4.362 1.00 0.00 C ATOM 787 O LEU A 56 -2.159 8.143 5.492 1.00 0.00 O ATOM 788 CB LEU A 56 -0.971 9.173 2.533 1.00 0.00 C ATOM 789 CG LEU A 56 0.423 9.418 3.116 1.00 0.00 C ATOM 790 CD1 LEU A 56 1.363 10.006 2.062 1.00 0.00 C ATOM 791 CD2 LEU A 56 0.347 10.293 4.369 1.00 0.00 C ATOM 0 H LEU A 56 -2.403 7.662 1.168 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.002 7.282 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.870 9.007 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.561 10.080 2.661 1.00 0.00 H new ATOM 0 HG LEU A 56 0.840 8.458 3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.346 10.170 2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.451 9.312 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.962 10.955 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.351 10.452 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.099 11.254 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.265 9.797 5.123 1.00 0.00 H new ATOM 802 N GLU A 57 -3.741 8.962 4.098 1.00 0.00 N ATOM 803 CA GLU A 57 -4.630 9.375 5.170 1.00 0.00 C ATOM 804 C GLU A 57 -4.990 8.177 6.052 1.00 0.00 C ATOM 805 O GLU A 57 -4.892 8.251 7.276 1.00 0.00 O ATOM 806 CB GLU A 57 -5.888 10.043 4.612 1.00 0.00 C ATOM 807 CG GLU A 57 -6.614 9.116 3.635 1.00 0.00 C ATOM 808 CD GLU A 57 -7.786 9.836 2.964 1.00 0.00 C ATOM 809 OE1 GLU A 57 -8.716 10.219 3.705 1.00 0.00 O ATOM 810 OE2 GLU A 57 -7.724 9.986 1.725 1.00 0.00 O ATOM 0 H GLU A 57 -4.086 9.157 3.158 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.110 10.110 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.556 10.309 5.431 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.618 10.970 4.107 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.916 8.764 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.979 8.236 4.165 1.00 0.00 H new ATOM 815 N GLU A 58 -5.401 7.102 5.395 1.00 0.00 N ATOM 816 CA GLU A 58 -5.777 5.890 6.104 1.00 0.00 C ATOM 817 C GLU A 58 -4.529 5.142 6.575 1.00 0.00 C ATOM 818 O GLU A 58 -4.463 4.697 7.720 1.00 0.00 O ATOM 819 CB GLU A 58 -6.657 4.995 5.230 1.00 0.00 C ATOM 820 CG GLU A 58 -7.317 3.893 6.062 1.00 0.00 C ATOM 821 CD GLU A 58 -8.792 3.732 5.687 1.00 0.00 C ATOM 822 OE1 GLU A 58 -9.053 2.976 4.726 1.00 0.00 O ATOM 823 OE2 GLU A 58 -9.624 4.367 6.370 1.00 0.00 O ATOM 0 H GLU A 58 -5.482 7.045 4.380 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.360 6.171 6.981 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.424 5.597 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.055 4.547 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.793 2.950 5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.232 4.132 7.122 1.00 0.00 H new ATOM 828 N PHE A 59 -3.569 5.027 5.667 1.00 0.00 N ATOM 829 CA PHE A 59 -2.327 4.339 5.976 1.00 0.00 C ATOM 830 C PHE A 59 -1.745 4.828 7.304 1.00 0.00 C ATOM 831 O PHE A 59 -1.266 4.030 8.107 1.00 0.00 O ATOM 832 CB PHE A 59 -1.344 4.668 4.851 1.00 0.00 C ATOM 833 CG PHE A 59 -0.380 3.527 4.514 1.00 0.00 C ATOM 834 CD1 PHE A 59 -0.831 2.244 4.480 1.00 0.00 C ATOM 835 CD2 PHE A 59 0.926 3.796 4.249 1.00 0.00 C ATOM 836 CE1 PHE A 59 0.063 1.186 4.168 1.00 0.00 C ATOM 837 CE2 PHE A 59 1.819 2.738 3.936 1.00 0.00 C ATOM 838 CZ PHE A 59 1.370 1.455 3.903 1.00 0.00 C ATOM 0 H PHE A 59 -3.627 5.398 4.719 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.506 3.267 6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.907 4.931 3.955 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.765 5.548 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.869 2.030 4.690 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.284 4.815 4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.295 0.167 4.141 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.856 2.952 3.724 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.050 0.650 3.667 1.00 0.00 H new ATOM 847 N LEU A 60 -1.806 6.138 7.494 1.00 0.00 N ATOM 848 CA LEU A 60 -1.290 6.743 8.710 1.00 0.00 C ATOM 849 C LEU A 60 -2.313 6.568 9.834 1.00 0.00 C ATOM 850 O LEU A 60 -2.034 5.908 10.834 1.00 0.00 O ATOM 851 CB LEU A 60 -0.897 8.200 8.458 1.00 0.00 C ATOM 852 CG LEU A 60 -0.003 8.846 9.520 1.00 0.00 C ATOM 853 CD1 LEU A 60 1.089 9.699 8.872 1.00 0.00 C ATOM 854 CD2 LEU A 60 -0.836 9.647 10.524 1.00 0.00 C ATOM 0 H LEU A 60 -2.205 6.797 6.826 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.376 6.241 9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.386 8.257 7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.808 8.792 8.370 1.00 0.00 H new ATOM 0 HG LEU A 60 0.496 8.052 10.076 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.710 10.146 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.707 9.072 8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.629 10.487 8.276 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.177 10.096 11.268 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.380 10.433 10.000 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.545 8.984 11.020 1.00 0.00 H new ATOM 865 N GLU A 61 -3.476 7.169 9.632 1.00 0.00 N ATOM 866 CA GLU A 61 -4.542 7.088 10.616 1.00 0.00 C ATOM 867 C GLU A 61 -4.711 5.645 11.098 1.00 0.00 C ATOM 868 O GLU A 61 -5.133 5.409 12.228 1.00 0.00 O ATOM 869 CB GLU A 61 -5.854 7.635 10.051 1.00 0.00 C ATOM 870 CG GLU A 61 -6.765 8.141 11.170 1.00 0.00 C ATOM 871 CD GLU A 61 -7.992 7.240 11.328 1.00 0.00 C ATOM 872 OE1 GLU A 61 -8.463 6.735 10.287 1.00 0.00 O ATOM 873 OE2 GLU A 61 -8.431 7.077 12.487 1.00 0.00 O ATOM 0 H GLU A 61 -3.704 7.715 8.801 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.268 7.706 11.471 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.644 8.446 9.354 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.364 6.854 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.211 8.174 12.108 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.084 9.160 10.952 1.00 0.00 H new ATOM 878 N PHE A 62 -4.372 4.717 10.214 1.00 0.00 N ATOM 879 CA PHE A 62 -4.481 3.304 10.535 1.00 0.00 C ATOM 880 C PHE A 62 -3.291 2.839 11.376 1.00 0.00 C ATOM 881 O PHE A 62 -3.436 1.974 12.238 1.00 0.00 O ATOM 882 CB PHE A 62 -4.480 2.544 9.207 1.00 0.00 C ATOM 883 CG PHE A 62 -4.419 1.022 9.362 1.00 0.00 C ATOM 884 CD1 PHE A 62 -3.215 0.398 9.470 1.00 0.00 C ATOM 885 CD2 PHE A 62 -5.567 0.294 9.391 1.00 0.00 C ATOM 886 CE1 PHE A 62 -3.158 -1.014 9.614 1.00 0.00 C ATOM 887 CE2 PHE A 62 -5.510 -1.117 9.535 1.00 0.00 C ATOM 888 CZ PHE A 62 -4.306 -1.741 9.643 1.00 0.00 C ATOM 0 H PHE A 62 -4.022 4.916 9.277 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.390 3.121 11.109 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.379 2.807 8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.628 2.873 8.612 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.303 0.976 9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.523 0.790 9.304 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.202 -1.510 9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.422 -1.695 9.559 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.262 -2.815 9.752 1.00 0.00 H new ATOM 897 N SER A 63 -2.140 3.435 11.097 1.00 0.00 N ATOM 898 CA SER A 63 -0.926 3.093 11.817 1.00 0.00 C ATOM 899 C SER A 63 -0.995 3.636 13.245 1.00 0.00 C ATOM 900 O SER A 63 -0.745 2.906 14.204 1.00 0.00 O ATOM 901 CB SER A 63 0.311 3.638 11.101 1.00 0.00 C ATOM 902 OG SER A 63 1.518 3.267 11.761 1.00 0.00 O ATOM 0 H SER A 63 -2.024 4.153 10.382 1.00 0.00 H new ATOM 0 HA SER A 63 -0.843 2.007 11.852 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.329 3.267 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.248 4.725 11.045 1.00 0.00 H new ATOM 0 HG SER A 63 1.587 2.290 11.792 1.00 0.00 H new ATOM 907 N LEU A 64 -1.333 4.914 13.343 1.00 0.00 N ATOM 908 CA LEU A 64 -1.438 5.562 14.639 1.00 0.00 C ATOM 909 C LEU A 64 -2.772 5.187 15.287 1.00 0.00 C ATOM 910 O LEU A 64 -2.811 4.789 16.449 1.00 0.00 O ATOM 911 CB LEU A 64 -1.224 7.071 14.501 1.00 0.00 C ATOM 912 CG LEU A 64 -0.446 7.745 15.634 1.00 0.00 C ATOM 913 CD1 LEU A 64 1.058 7.723 15.355 1.00 0.00 C ATOM 914 CD2 LEU A 64 -0.962 9.163 15.885 1.00 0.00 C ATOM 0 H LEU A 64 -1.537 5.517 12.546 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.651 5.210 15.306 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.699 7.259 13.564 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.200 7.550 14.422 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.612 7.176 16.548 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.587 8.208 16.175 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.396 6.691 15.265 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.264 8.255 14.426 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.392 9.619 16.695 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.846 9.758 14.979 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.016 9.123 16.160 1.00 0.00 H new TER 925 LEU A 64 HETATM 926 LA LA A 226 -3.342 4.792 -7.475 1.00 0.00 LA