USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 952 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 59 THR OG1 : rot -36:sc= 0.337 USER MOD Set 1.2: A 90 SER OG : rot -65:sc= 0.211 USER MOD Set 2.1: A 43 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.17) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.057) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.0101 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -107:sc= 0.11 USER MOD Single : A 12 HIS : no HD1:sc= -0.591 X(o=-0.59,f=-0.36) USER MOD Single : A 16 THR OG1 : rot -101:sc= 0.222 USER MOD Single : A 17 THR OG1 : rot 78:sc= 1.09 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0249) USER MOD Single : A 28 GLN : amide:sc= -2! K(o=-2!,f=-0.014) USER MOD Single : A 31 SER OG : rot 80:sc= 0.25 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 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.975 K(o=-0.97,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0301 X(o=-0.03,f=-0.47) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 100:sc= -0.241 USER MOD Single : A 61 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-3.6!) USER MOD Single : A 62 TYR OH : rot -174:sc= -0.935 USER MOD Single : A 64 THR OG1 : rot 111:sc= 0.165 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -24:sc= 1.18 USER MOD Single : A 84 SER OG : rot 85:sc= 0.0454 USER MOD Single : A 86 LYS NZ :NH3+ -141:sc= -0.0302 (180deg=-1.69!) USER MOD Single : A 88 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.091) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.869 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=0.54) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 115 TYR OH : rot -139:sc= -0.344 USER MOD Single : A 116 CYS SG : rot 164:sc= -1.26 USER MOD Single : A 119 LYS NZ :NH3+ 142:sc= 0.379 (180deg=0.0112) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -6.746 -19.246 -13.154 1.00 0.00 N ATOM 2 CA TYR A 4 -7.230 -17.862 -13.253 1.00 0.00 C ATOM 3 C TYR A 4 -6.709 -17.094 -12.028 1.00 0.00 C ATOM 4 O TYR A 4 -6.465 -17.686 -10.974 1.00 0.00 O ATOM 5 CB TYR A 4 -8.766 -17.932 -13.297 1.00 0.00 C ATOM 6 CG TYR A 4 -9.413 -16.774 -14.036 1.00 0.00 C ATOM 7 CD1 TYR A 4 -9.596 -16.850 -15.383 1.00 0.00 C ATOM 8 CD2 TYR A 4 -9.865 -15.688 -13.356 1.00 0.00 C ATOM 9 CE1 TYR A 4 -10.228 -15.847 -16.046 1.00 0.00 C ATOM 10 CE2 TYR A 4 -10.502 -14.688 -14.017 1.00 0.00 C ATOM 11 CZ TYR A 4 -10.682 -14.764 -15.362 1.00 0.00 C ATOM 12 OH TYR A 4 -11.318 -13.752 -16.029 1.00 0.00 O ATOM 0 HA TYR A 4 -6.878 -17.342 -14.144 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.064 -18.866 -13.773 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.148 -17.958 -12.277 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.237 -17.711 -15.927 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.717 -15.620 -12.288 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.369 -15.910 -17.115 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.867 -13.830 -13.473 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.780 -14.116 -16.813 1.00 0.00 H new ATOM 22 N LYS A 5 -6.624 -15.766 -12.108 1.00 0.00 N ATOM 23 CA LYS A 5 -6.338 -14.966 -10.923 1.00 0.00 C ATOM 24 C LYS A 5 -7.482 -14.001 -10.621 1.00 0.00 C ATOM 25 O LYS A 5 -8.044 -13.363 -11.513 1.00 0.00 O ATOM 26 CB LYS A 5 -5.075 -14.160 -11.233 1.00 0.00 C ATOM 27 CG LYS A 5 -3.811 -15.028 -11.321 1.00 0.00 C ATOM 28 CD LYS A 5 -2.565 -14.167 -11.532 1.00 0.00 C ATOM 29 CE LYS A 5 -1.307 -15.029 -11.642 1.00 0.00 C ATOM 30 NZ LYS A 5 -0.124 -14.177 -11.841 1.00 0.00 N ATOM 0 H LYS A 5 -6.747 -15.231 -12.967 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.211 -15.614 -10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.211 -13.631 -12.176 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.936 -13.403 -10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.703 -15.612 -10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.910 -15.737 -12.143 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.681 -13.571 -12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.458 -13.468 -10.702 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.186 -15.626 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.406 -15.726 -12.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.725 -14.773 -11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.236 -13.626 -12.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.023 -13.529 -11.034 1.00 0.00 H new ATOM 44 N THR A 6 -7.756 -13.834 -9.332 1.00 0.00 N ATOM 45 CA THR A 6 -8.537 -12.667 -8.885 1.00 0.00 C ATOM 46 C THR A 6 -7.533 -11.609 -8.419 1.00 0.00 C ATOM 47 O THR A 6 -6.510 -11.926 -7.809 1.00 0.00 O ATOM 48 CB THR A 6 -9.505 -13.054 -7.748 1.00 0.00 C ATOM 49 OG1 THR A 6 -9.873 -11.898 -7.004 1.00 0.00 O ATOM 50 CG2 THR A 6 -8.941 -14.096 -6.777 1.00 0.00 C ATOM 0 H THR A 6 -7.462 -14.468 -8.589 1.00 0.00 H new ATOM 0 HA THR A 6 -9.152 -12.280 -9.698 1.00 0.00 H new ATOM 0 HB THR A 6 -10.368 -13.503 -8.239 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.424 -11.913 -6.133 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.681 -14.314 -6.007 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.703 -15.010 -7.322 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.036 -13.706 -6.310 1.00 0.00 H new ATOM 58 N GLY A 7 -7.823 -10.345 -8.718 1.00 0.00 N ATOM 59 CA GLY A 7 -6.938 -9.277 -8.242 1.00 0.00 C ATOM 60 C GLY A 7 -7.616 -8.067 -7.620 1.00 0.00 C ATOM 61 O GLY A 7 -8.756 -8.076 -7.153 1.00 0.00 O ATOM 0 H GLY A 7 -8.628 -10.039 -9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.254 -9.702 -7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.332 -8.936 -9.081 1.00 0.00 H new ATOM 65 N LEU A 8 -6.793 -7.028 -7.587 1.00 0.00 N ATOM 66 CA LEU A 8 -7.109 -5.788 -6.881 1.00 0.00 C ATOM 67 C LEU A 8 -6.760 -4.631 -7.811 1.00 0.00 C ATOM 68 O LEU A 8 -5.739 -4.667 -8.501 1.00 0.00 O ATOM 69 CB LEU A 8 -6.187 -5.722 -5.649 1.00 0.00 C ATOM 70 CG LEU A 8 -6.910 -5.437 -4.333 1.00 0.00 C ATOM 71 CD1 LEU A 8 -5.831 -5.289 -3.259 1.00 0.00 C ATOM 72 CD2 LEU A 8 -7.790 -4.184 -4.393 1.00 0.00 C ATOM 0 H LEU A 8 -5.884 -7.019 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.157 -5.741 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.654 -6.668 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.437 -4.948 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.591 -6.258 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.301 -5.084 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.255 -6.212 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.167 -4.466 -3.522 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.277 -4.035 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.172 -3.317 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.548 -4.308 -5.167 1.00 0.00 H new ATOM 84 N LEU A 9 -7.549 -3.566 -7.781 1.00 0.00 N ATOM 85 CA LEU A 9 -7.164 -2.355 -8.494 1.00 0.00 C ATOM 86 C LEU A 9 -7.141 -1.179 -7.510 1.00 0.00 C ATOM 87 O LEU A 9 -8.054 -0.970 -6.710 1.00 0.00 O ATOM 88 CB LEU A 9 -8.185 -2.124 -9.609 1.00 0.00 C ATOM 89 CG LEU A 9 -7.638 -2.072 -11.017 1.00 0.00 C ATOM 90 CD1 LEU A 9 -8.848 -1.686 -11.848 1.00 0.00 C ATOM 91 CD2 LEU A 9 -6.623 -0.953 -11.120 1.00 0.00 C ATOM 0 H LEU A 9 -8.438 -3.514 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.169 -2.449 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.930 -2.918 -9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.704 -1.187 -9.409 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.163 -3.004 -11.324 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.562 -1.619 -12.898 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.625 -2.441 -11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.227 -0.720 -11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.227 -0.913 -12.135 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.102 -0.004 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.808 -1.135 -10.419 1.00 0.00 H new ATOM 103 N LEU A 10 -6.089 -0.387 -7.639 1.00 0.00 N ATOM 104 CA LEU A 10 -6.057 0.954 -7.033 1.00 0.00 C ATOM 105 C LEU A 10 -6.034 1.971 -8.164 1.00 0.00 C ATOM 106 O LEU A 10 -5.135 1.980 -9.002 1.00 0.00 O ATOM 107 CB LEU A 10 -4.858 1.216 -6.092 1.00 0.00 C ATOM 108 CG LEU A 10 -5.238 1.161 -4.609 1.00 0.00 C ATOM 109 CD1 LEU A 10 -3.985 1.086 -3.737 1.00 0.00 C ATOM 110 CD2 LEU A 10 -6.023 2.425 -4.239 1.00 0.00 C ATOM 0 H LEU A 10 -5.245 -0.639 -8.153 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.943 1.038 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.080 0.478 -6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.434 2.195 -6.317 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.846 0.273 -4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.274 1.048 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.419 0.190 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.367 1.967 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.295 2.389 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.406 3.304 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.927 2.482 -4.845 1.00 0.00 H new ATOM 122 N ILE A 11 -7.046 2.827 -8.190 1.00 0.00 N ATOM 123 CA ILE A 11 -7.070 3.906 -9.184 1.00 0.00 C ATOM 124 C ILE A 11 -6.934 5.228 -8.426 1.00 0.00 C ATOM 125 O ILE A 11 -7.578 5.434 -7.394 1.00 0.00 O ATOM 126 CB ILE A 11 -8.380 3.908 -10.006 1.00 0.00 C ATOM 127 CG1 ILE A 11 -8.822 2.531 -10.539 1.00 0.00 C ATOM 128 CG2 ILE A 11 -8.192 4.833 -11.207 1.00 0.00 C ATOM 129 CD1 ILE A 11 -9.636 1.720 -9.527 1.00 0.00 C ATOM 0 H ILE A 11 -7.844 2.804 -7.555 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.253 3.763 -9.891 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.160 4.238 -9.320 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.416 2.673 -11.442 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.939 1.960 -10.825 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.106 4.849 -11.801 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.969 5.841 -10.858 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.367 4.470 -11.820 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.914 0.763 -9.968 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.037 1.548 -8.633 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.537 2.272 -9.259 1.00 0.00 H new ATOM 141 N HIS A 12 -6.160 6.158 -8.975 1.00 0.00 N ATOM 142 CA HIS A 12 -6.226 7.536 -8.485 1.00 0.00 C ATOM 143 C HIS A 12 -7.201 8.297 -9.407 1.00 0.00 C ATOM 144 O HIS A 12 -7.052 8.238 -10.629 1.00 0.00 O ATOM 145 CB HIS A 12 -4.810 8.123 -8.549 1.00 0.00 C ATOM 146 CG HIS A 12 -4.716 9.629 -8.351 1.00 0.00 C ATOM 147 ND1 HIS A 12 -5.351 10.352 -7.350 1.00 0.00 N ATOM 148 CD2 HIS A 12 -4.038 10.484 -9.234 1.00 0.00 C ATOM 149 CE1 HIS A 12 -4.983 11.614 -7.746 1.00 0.00 C ATOM 150 NE2 HIS A 12 -4.184 11.794 -8.841 1.00 0.00 N ATOM 0 H HIS A 12 -5.499 5.995 -9.735 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.581 7.605 -7.457 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.199 7.635 -7.790 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.375 7.873 -9.517 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.480 10.159 -10.100 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.328 12.472 -7.188 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.806 12.650 -9.248 1.00 0.00 H new ATOM 158 N PRO A 13 -8.197 9.018 -8.877 1.00 0.00 N ATOM 159 CA PRO A 13 -9.273 9.584 -9.711 1.00 0.00 C ATOM 160 C PRO A 13 -8.966 10.636 -10.785 1.00 0.00 C ATOM 161 O PRO A 13 -9.890 11.061 -11.481 1.00 0.00 O ATOM 162 CB PRO A 13 -10.122 10.268 -8.648 1.00 0.00 C ATOM 163 CG PRO A 13 -10.051 9.330 -7.452 1.00 0.00 C ATOM 164 CD PRO A 13 -8.592 8.880 -7.463 1.00 0.00 C ATOM 0 HA PRO A 13 -9.675 8.774 -10.319 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.733 11.256 -8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.149 10.405 -8.986 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.311 9.838 -6.523 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.735 8.488 -7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.976 9.501 -6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.487 7.852 -7.116 1.00 0.00 H new ATOM 172 N ALA A 14 -7.760 11.183 -10.844 1.00 0.00 N ATOM 173 CA ALA A 14 -7.583 12.450 -11.581 1.00 0.00 C ATOM 174 C ALA A 14 -7.804 12.388 -13.096 1.00 0.00 C ATOM 175 O ALA A 14 -8.587 13.182 -13.624 1.00 0.00 O ATOM 176 CB ALA A 14 -6.194 13.016 -11.295 1.00 0.00 C ATOM 0 H ALA A 14 -6.917 10.800 -10.416 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.376 13.099 -11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.063 13.951 -11.839 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.089 13.200 -10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.437 12.301 -11.616 1.00 0.00 H new ATOM 182 N VAL A 15 -7.184 11.449 -13.799 1.00 0.00 N ATOM 183 CA VAL A 15 -7.553 11.237 -15.212 1.00 0.00 C ATOM 184 C VAL A 15 -8.734 10.244 -15.310 1.00 0.00 C ATOM 185 O VAL A 15 -9.523 10.296 -16.254 1.00 0.00 O ATOM 186 CB VAL A 15 -6.330 10.788 -16.040 1.00 0.00 C ATOM 187 CG1 VAL A 15 -6.699 10.459 -17.492 1.00 0.00 C ATOM 188 CG2 VAL A 15 -5.265 11.893 -16.072 1.00 0.00 C ATOM 0 H VAL A 15 -6.450 10.838 -13.441 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.886 12.182 -15.640 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.948 9.890 -15.554 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.805 10.148 -18.033 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.431 9.652 -17.507 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.123 11.343 -17.969 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.411 11.558 -16.660 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.686 12.791 -16.523 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.941 12.115 -15.055 1.00 0.00 H new ATOM 198 N THR A 16 -8.846 9.326 -14.348 1.00 0.00 N ATOM 199 CA THR A 16 -9.789 8.206 -14.442 1.00 0.00 C ATOM 200 C THR A 16 -11.252 8.523 -14.072 1.00 0.00 C ATOM 201 O THR A 16 -12.103 7.642 -14.201 1.00 0.00 O ATOM 202 CB THR A 16 -9.235 7.046 -13.609 1.00 0.00 C ATOM 203 OG1 THR A 16 -9.068 7.466 -12.263 1.00 0.00 O ATOM 204 CG2 THR A 16 -7.902 6.540 -14.173 1.00 0.00 C ATOM 0 H THR A 16 -8.293 9.335 -13.491 1.00 0.00 H new ATOM 0 HA THR A 16 -9.858 7.942 -15.497 1.00 0.00 H new ATOM 0 HB THR A 16 -9.947 6.222 -13.650 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.123 7.667 -12.098 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.536 5.717 -13.559 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.048 6.193 -15.196 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.173 7.350 -14.166 1.00 0.00 H new ATOM 212 N THR A 17 -11.599 9.759 -13.703 1.00 0.00 N ATOM 213 CA THR A 17 -13.033 10.125 -13.645 1.00 0.00 C ATOM 214 C THR A 17 -13.621 10.363 -15.065 1.00 0.00 C ATOM 215 O THR A 17 -14.830 10.528 -15.238 1.00 0.00 O ATOM 216 CB THR A 17 -13.147 11.377 -12.756 1.00 0.00 C ATOM 217 OG1 THR A 17 -12.695 11.060 -11.446 1.00 0.00 O ATOM 218 CG2 THR A 17 -14.579 11.896 -12.644 1.00 0.00 C ATOM 0 H THR A 17 -10.946 10.500 -13.449 1.00 0.00 H new ATOM 0 HA THR A 17 -13.618 9.310 -13.220 1.00 0.00 H new ATOM 0 HB THR A 17 -12.539 12.153 -13.221 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.715 11.052 -11.431 1.00 0.00 H new ATOM 0 HG21 THR A 17 -14.597 12.779 -12.005 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.950 12.157 -13.635 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.214 11.122 -12.211 1.00 0.00 H new ATOM 226 N THR A 18 -12.779 10.206 -16.083 1.00 0.00 N ATOM 227 CA THR A 18 -13.206 9.997 -17.474 1.00 0.00 C ATOM 228 C THR A 18 -12.747 8.564 -17.846 1.00 0.00 C ATOM 229 O THR A 18 -11.659 8.406 -18.400 1.00 0.00 O ATOM 230 CB THR A 18 -12.661 11.071 -18.421 1.00 0.00 C ATOM 231 OG1 THR A 18 -12.990 12.361 -17.925 1.00 0.00 O ATOM 232 CG2 THR A 18 -13.323 10.891 -19.786 1.00 0.00 C ATOM 0 H THR A 18 -11.765 10.220 -15.969 1.00 0.00 H new ATOM 0 HA THR A 18 -14.287 10.090 -17.575 1.00 0.00 H new ATOM 0 HB THR A 18 -11.578 10.976 -18.499 1.00 0.00 H new ATOM 0 HG1 THR A 18 -12.638 13.045 -18.533 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.947 11.647 -20.475 1.00 0.00 H new ATOM 0 HG22 THR A 18 -13.092 9.899 -20.175 1.00 0.00 H new ATOM 0 HG23 THR A 18 -14.403 10.998 -19.684 1.00 0.00 H new ATOM 240 N PRO A 19 -13.393 7.526 -17.290 1.00 0.00 N ATOM 241 CA PRO A 19 -12.797 6.188 -17.098 1.00 0.00 C ATOM 242 C PRO A 19 -12.581 5.334 -18.365 1.00 0.00 C ATOM 243 O PRO A 19 -12.937 4.156 -18.391 1.00 0.00 O ATOM 244 CB PRO A 19 -13.834 5.562 -16.153 1.00 0.00 C ATOM 245 CG PRO A 19 -15.168 6.199 -16.525 1.00 0.00 C ATOM 246 CD PRO A 19 -14.803 7.628 -16.913 1.00 0.00 C ATOM 0 HA PRO A 19 -11.772 6.248 -16.731 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.870 4.479 -16.273 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.583 5.759 -15.111 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.645 5.671 -17.351 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.866 6.179 -15.688 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.415 7.989 -17.740 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.948 8.320 -16.083 1.00 0.00 H new ATOM 254 N GLU A 20 -11.909 5.864 -19.387 1.00 0.00 N ATOM 255 CA GLU A 20 -11.422 5.015 -20.490 1.00 0.00 C ATOM 256 C GLU A 20 -10.287 4.077 -20.045 1.00 0.00 C ATOM 257 O GLU A 20 -10.244 2.916 -20.453 1.00 0.00 O ATOM 258 CB GLU A 20 -10.895 5.903 -21.619 1.00 0.00 C ATOM 259 CG GLU A 20 -11.998 6.700 -22.323 1.00 0.00 C ATOM 260 CD GLU A 20 -11.420 7.588 -23.418 1.00 0.00 C ATOM 261 OE1 GLU A 20 -11.303 7.120 -24.572 1.00 0.00 O ATOM 262 OE2 GLU A 20 -11.080 8.754 -23.131 1.00 0.00 O ATOM 0 H GLU A 20 -11.689 6.856 -19.480 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.261 4.405 -20.824 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.157 6.595 -21.214 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.380 5.281 -22.352 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.728 6.014 -22.754 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.528 7.314 -21.595 1.00 0.00 H new ATOM 269 N LEU A 21 -9.372 4.570 -19.208 1.00 0.00 N ATOM 270 CA LEU A 21 -8.318 3.713 -18.632 1.00 0.00 C ATOM 271 C LEU A 21 -8.876 2.536 -17.807 1.00 0.00 C ATOM 272 O LEU A 21 -8.256 1.474 -17.732 1.00 0.00 O ATOM 273 CB LEU A 21 -7.429 4.572 -17.716 1.00 0.00 C ATOM 274 CG LEU A 21 -6.634 5.669 -18.444 1.00 0.00 C ATOM 275 CD1 LEU A 21 -6.043 6.651 -17.429 1.00 0.00 C ATOM 276 CD2 LEU A 21 -5.498 5.063 -19.269 1.00 0.00 C ATOM 0 H LEU A 21 -9.334 5.546 -18.913 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.757 3.290 -19.465 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.056 5.039 -16.956 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.729 3.919 -17.194 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.318 6.193 -19.111 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.482 7.424 -17.955 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.848 7.112 -16.858 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.377 6.117 -16.751 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.951 5.859 -19.774 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.821 4.518 -18.611 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.911 4.380 -20.011 1.00 0.00 H new ATOM 288 N VAL A 22 -10.046 2.721 -17.195 1.00 0.00 N ATOM 289 CA VAL A 22 -10.703 1.629 -16.449 1.00 0.00 C ATOM 290 C VAL A 22 -11.196 0.529 -17.405 1.00 0.00 C ATOM 291 O VAL A 22 -10.940 -0.652 -17.163 1.00 0.00 O ATOM 292 CB VAL A 22 -11.818 2.216 -15.562 1.00 0.00 C ATOM 293 CG1 VAL A 22 -12.564 1.116 -14.797 1.00 0.00 C ATOM 294 CG2 VAL A 22 -11.255 3.209 -14.538 1.00 0.00 C ATOM 0 H VAL A 22 -10.559 3.603 -17.196 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.985 1.143 -15.789 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.506 2.729 -16.235 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.343 1.565 -14.181 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.016 0.422 -15.506 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.863 0.577 -14.159 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.068 3.604 -13.929 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.535 2.701 -13.897 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.761 4.029 -15.060 1.00 0.00 H new ATOM 304 N GLU A 23 -11.861 0.888 -18.502 1.00 0.00 N ATOM 305 CA GLU A 23 -12.233 -0.120 -19.514 1.00 0.00 C ATOM 306 C GLU A 23 -11.027 -0.870 -20.100 1.00 0.00 C ATOM 307 O GLU A 23 -11.106 -2.067 -20.360 1.00 0.00 O ATOM 308 CB GLU A 23 -12.985 0.549 -20.675 1.00 0.00 C ATOM 309 CG GLU A 23 -14.470 0.787 -20.396 1.00 0.00 C ATOM 310 CD GLU A 23 -14.752 1.926 -19.426 1.00 0.00 C ATOM 311 OE1 GLU A 23 -14.779 1.686 -18.201 1.00 0.00 O ATOM 312 OE2 GLU A 23 -14.960 3.069 -19.889 1.00 0.00 O ATOM 0 H GLU A 23 -12.151 1.842 -18.717 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.862 -0.844 -18.996 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.510 1.504 -20.900 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.888 -0.073 -21.565 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.976 0.995 -21.339 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.904 -0.130 -19.997 1.00 0.00 H new ATOM 319 N ASN A 24 -9.928 -0.163 -20.319 1.00 0.00 N ATOM 320 CA ASN A 24 -8.719 -0.766 -20.908 1.00 0.00 C ATOM 321 C ASN A 24 -8.046 -1.798 -20.007 1.00 0.00 C ATOM 322 O ASN A 24 -7.735 -2.904 -20.448 1.00 0.00 O ATOM 323 CB ASN A 24 -7.725 0.362 -21.169 1.00 0.00 C ATOM 324 CG ASN A 24 -6.906 0.157 -22.442 1.00 0.00 C ATOM 325 OD1 ASN A 24 -5.953 -0.619 -22.476 1.00 0.00 O ATOM 326 ND2 ASN A 24 -7.270 0.849 -23.506 1.00 0.00 N ATOM 0 H ASN A 24 -9.838 0.829 -20.101 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.020 -1.289 -21.815 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.266 1.306 -21.240 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.048 0.446 -20.319 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.757 0.746 -24.381 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.064 1.487 -23.452 1.00 0.00 H new ATOM 333 N THR A 25 -7.807 -1.438 -18.747 1.00 0.00 N ATOM 334 CA THR A 25 -7.235 -2.417 -17.800 1.00 0.00 C ATOM 335 C THR A 25 -8.174 -3.624 -17.604 1.00 0.00 C ATOM 336 O THR A 25 -7.720 -4.771 -17.576 1.00 0.00 O ATOM 337 CB THR A 25 -6.786 -1.750 -16.488 1.00 0.00 C ATOM 338 OG1 THR A 25 -5.977 -2.664 -15.763 1.00 0.00 O ATOM 339 CG2 THR A 25 -7.931 -1.298 -15.581 1.00 0.00 C ATOM 0 H THR A 25 -7.990 -0.512 -18.360 1.00 0.00 H new ATOM 0 HA THR A 25 -6.323 -2.823 -18.238 1.00 0.00 H new ATOM 0 HB THR A 25 -6.244 -0.850 -16.777 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.684 -2.248 -14.925 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.523 -0.840 -14.680 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.549 -0.572 -16.109 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.539 -2.160 -15.306 1.00 0.00 H new ATOM 347 N LYS A 26 -9.486 -3.378 -17.556 1.00 0.00 N ATOM 348 CA LYS A 26 -10.455 -4.479 -17.617 1.00 0.00 C ATOM 349 C LYS A 26 -10.405 -5.245 -18.954 1.00 0.00 C ATOM 350 O LYS A 26 -10.631 -6.455 -18.961 1.00 0.00 O ATOM 351 CB LYS A 26 -11.870 -3.929 -17.382 1.00 0.00 C ATOM 352 CG LYS A 26 -12.066 -3.308 -15.987 1.00 0.00 C ATOM 353 CD LYS A 26 -11.932 -4.312 -14.838 1.00 0.00 C ATOM 354 CE LYS A 26 -13.042 -5.367 -14.843 1.00 0.00 C ATOM 355 NZ LYS A 26 -12.886 -6.273 -13.694 1.00 0.00 N ATOM 0 H LYS A 26 -9.897 -2.448 -17.477 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.189 -5.190 -16.835 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -12.089 -3.176 -18.140 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.591 -4.735 -17.516 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.335 -2.512 -15.848 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.052 -2.847 -15.940 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.964 -4.809 -14.906 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.950 -3.776 -13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.017 -4.880 -14.802 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.009 -5.936 -15.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.484 -7.113 -13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.891 -6.566 -13.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.172 -5.782 -12.823 1.00 0.00 H new ATOM 369 N ALA A 27 -10.133 -4.583 -20.085 1.00 0.00 N ATOM 370 CA ALA A 27 -10.068 -5.302 -21.370 1.00 0.00 C ATOM 371 C ALA A 27 -8.866 -6.248 -21.500 1.00 0.00 C ATOM 372 O ALA A 27 -9.002 -7.357 -22.016 1.00 0.00 O ATOM 373 CB ALA A 27 -10.084 -4.295 -22.523 1.00 0.00 C ATOM 0 H ALA A 27 -9.958 -3.580 -20.142 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.949 -5.942 -21.411 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.036 -4.828 -23.472 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.002 -3.709 -22.482 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.225 -3.629 -22.437 1.00 0.00 H new ATOM 379 N GLN A 28 -7.696 -5.828 -21.029 1.00 0.00 N ATOM 380 CA GLN A 28 -6.530 -6.726 -20.991 1.00 0.00 C ATOM 381 C GLN A 28 -6.759 -7.908 -20.047 1.00 0.00 C ATOM 382 O GLN A 28 -6.566 -9.064 -20.430 1.00 0.00 O ATOM 383 CB GLN A 28 -5.323 -5.968 -20.442 1.00 0.00 C ATOM 384 CG GLN A 28 -4.785 -4.863 -21.356 1.00 0.00 C ATOM 385 CD GLN A 28 -3.760 -4.041 -20.587 1.00 0.00 C ATOM 386 OE1 GLN A 28 -2.567 -4.029 -20.891 1.00 0.00 O ATOM 387 NE2 GLN A 28 -4.223 -3.373 -19.546 1.00 0.00 N ATOM 0 H GLN A 28 -7.523 -4.888 -20.672 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.368 -7.083 -22.008 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.595 -5.526 -19.483 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.522 -6.681 -20.248 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.329 -5.298 -22.245 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.601 -4.225 -21.696 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.217 -3.404 -19.321 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.586 -2.826 -18.967 1.00 0.00 H new ATOM 396 N ALA A 29 -7.159 -7.617 -18.809 1.00 0.00 N ATOM 397 CA ALA A 29 -7.465 -8.693 -17.846 1.00 0.00 C ATOM 398 C ALA A 29 -8.530 -9.676 -18.368 1.00 0.00 C ATOM 399 O ALA A 29 -8.363 -10.891 -18.260 1.00 0.00 O ATOM 400 CB ALA A 29 -7.921 -8.046 -16.537 1.00 0.00 C ATOM 0 H ALA A 29 -7.279 -6.671 -18.448 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.563 -9.285 -17.690 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.153 -8.823 -15.809 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.125 -7.411 -16.149 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.810 -7.443 -16.720 1.00 0.00 H new ATOM 406 N ALA A 30 -9.579 -9.164 -19.012 1.00 0.00 N ATOM 407 CA ALA A 30 -10.532 -10.040 -19.721 1.00 0.00 C ATOM 408 C ALA A 30 -9.913 -10.918 -20.820 1.00 0.00 C ATOM 409 O ALA A 30 -10.169 -12.123 -20.850 1.00 0.00 O ATOM 410 CB ALA A 30 -11.654 -9.178 -20.304 1.00 0.00 C ATOM 0 H ALA A 30 -9.794 -8.168 -19.062 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.911 -10.744 -18.980 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.365 -9.814 -20.831 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.165 -8.652 -19.498 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.232 -8.453 -20.999 1.00 0.00 H new ATOM 416 N SER A 31 -9.134 -10.351 -21.740 1.00 0.00 N ATOM 417 CA SER A 31 -8.696 -11.119 -22.920 1.00 0.00 C ATOM 418 C SER A 31 -7.590 -12.136 -22.576 1.00 0.00 C ATOM 419 O SER A 31 -7.435 -13.145 -23.265 1.00 0.00 O ATOM 420 CB SER A 31 -8.191 -10.149 -23.994 1.00 0.00 C ATOM 421 OG SER A 31 -9.236 -9.276 -24.399 1.00 0.00 O ATOM 0 H SER A 31 -8.797 -9.389 -21.701 1.00 0.00 H new ATOM 0 HA SER A 31 -9.553 -11.683 -23.289 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.353 -9.569 -23.606 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.821 -10.708 -24.854 1.00 0.00 H new ATOM 0 HG SER A 31 -9.334 -8.556 -23.742 1.00 0.00 H new ATOM 427 N LYS A 32 -6.864 -11.906 -21.483 1.00 0.00 N ATOM 428 CA LYS A 32 -5.938 -12.902 -20.951 1.00 0.00 C ATOM 429 C LYS A 32 -6.688 -13.866 -20.024 1.00 0.00 C ATOM 430 O LYS A 32 -7.364 -14.792 -20.475 1.00 0.00 O ATOM 431 CB LYS A 32 -4.793 -12.127 -20.273 1.00 0.00 C ATOM 432 CG LYS A 32 -3.924 -11.347 -21.268 1.00 0.00 C ATOM 433 CD LYS A 32 -2.813 -10.578 -20.550 1.00 0.00 C ATOM 434 CE LYS A 32 -1.967 -9.771 -21.539 1.00 0.00 C ATOM 435 NZ LYS A 32 -0.909 -9.040 -20.824 1.00 0.00 N ATOM 0 H LYS A 32 -6.900 -11.038 -20.949 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.506 -13.536 -21.726 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.213 -11.433 -19.545 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.165 -12.827 -19.722 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.485 -12.036 -21.989 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.546 -10.651 -21.830 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.251 -9.907 -19.811 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.176 -11.277 -20.008 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.523 -10.438 -22.278 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.600 -9.070 -22.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.342 -8.496 -21.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.340 -8.390 -20.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.296 -9.716 -20.325 1.00 0.00 H new ATOM 449 N LYS A 33 -6.505 -13.681 -18.728 1.00 0.00 N ATOM 450 CA LYS A 33 -6.916 -14.699 -17.744 1.00 0.00 C ATOM 451 C LYS A 33 -7.045 -14.169 -16.305 1.00 0.00 C ATOM 452 O LYS A 33 -7.236 -14.934 -15.360 1.00 0.00 O ATOM 453 CB LYS A 33 -5.834 -15.787 -17.762 1.00 0.00 C ATOM 454 CG LYS A 33 -6.369 -17.183 -17.447 1.00 0.00 C ATOM 455 CD LYS A 33 -7.322 -17.655 -18.548 1.00 0.00 C ATOM 456 CE LYS A 33 -7.815 -19.082 -18.296 1.00 0.00 C ATOM 457 NZ LYS A 33 -8.725 -19.504 -19.371 1.00 0.00 N ATOM 0 H LYS A 33 -6.079 -12.847 -18.323 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.906 -15.058 -18.026 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.360 -15.801 -18.744 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.060 -15.531 -17.038 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.539 -17.883 -17.352 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.889 -17.172 -16.489 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.176 -16.980 -18.605 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.815 -17.610 -19.512 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.966 -19.763 -18.241 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.328 -19.133 -17.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.052 -20.474 -19.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.543 -18.863 -19.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.224 -19.474 -20.282 1.00 0.00 H new ATOM 471 N VAL A 34 -6.991 -12.856 -16.146 1.00 0.00 N ATOM 472 CA VAL A 34 -7.302 -12.225 -14.854 1.00 0.00 C ATOM 473 C VAL A 34 -8.698 -11.572 -14.846 1.00 0.00 C ATOM 474 O VAL A 34 -9.152 -10.998 -15.834 1.00 0.00 O ATOM 475 CB VAL A 34 -6.217 -11.155 -14.584 1.00 0.00 C ATOM 476 CG1 VAL A 34 -6.346 -10.567 -13.178 1.00 0.00 C ATOM 477 CG2 VAL A 34 -4.788 -11.695 -14.725 1.00 0.00 C ATOM 0 H VAL A 34 -6.737 -12.201 -16.886 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.309 -12.989 -14.076 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.387 -10.390 -15.342 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.568 -9.819 -13.024 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.325 -10.100 -13.067 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.237 -11.362 -12.440 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.075 -10.895 -14.523 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.634 -12.507 -14.014 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.638 -12.067 -15.738 1.00 0.00 H new ATOM 487 N LYS A 35 -9.326 -11.540 -13.673 1.00 0.00 N ATOM 488 CA LYS A 35 -10.469 -10.637 -13.447 1.00 0.00 C ATOM 489 C LYS A 35 -10.170 -9.866 -12.168 1.00 0.00 C ATOM 490 O LYS A 35 -9.754 -10.430 -11.156 1.00 0.00 O ATOM 491 CB LYS A 35 -11.785 -11.413 -13.339 1.00 0.00 C ATOM 492 CG LYS A 35 -13.075 -10.587 -13.257 1.00 0.00 C ATOM 493 CD LYS A 35 -14.296 -11.506 -13.164 1.00 0.00 C ATOM 494 CE LYS A 35 -15.590 -10.692 -13.074 1.00 0.00 C ATOM 495 NZ LYS A 35 -16.751 -11.591 -12.984 1.00 0.00 N ATOM 0 H LYS A 35 -9.073 -12.117 -12.871 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.594 -9.956 -14.288 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.860 -12.074 -14.202 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.732 -12.048 -12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.039 -9.931 -12.387 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.160 -9.947 -14.135 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.332 -12.158 -14.037 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.205 -12.150 -12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.558 -10.040 -12.201 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.686 -10.049 -13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.623 -11.027 -12.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.788 -12.196 -13.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.664 -12.186 -12.136 1.00 0.00 H new ATOM 509 N PHE A 36 -10.427 -8.570 -12.209 1.00 0.00 N ATOM 510 CA PHE A 36 -10.308 -7.764 -10.982 1.00 0.00 C ATOM 511 C PHE A 36 -11.652 -7.783 -10.248 1.00 0.00 C ATOM 512 O PHE A 36 -12.724 -7.730 -10.853 1.00 0.00 O ATOM 513 CB PHE A 36 -9.762 -6.347 -11.225 1.00 0.00 C ATOM 514 CG PHE A 36 -8.487 -6.306 -12.059 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.386 -7.029 -11.699 1.00 0.00 C ATOM 516 CD2 PHE A 36 -8.444 -5.532 -13.176 1.00 0.00 C ATOM 517 CE1 PHE A 36 -6.273 -7.002 -12.476 1.00 0.00 C ATOM 518 CE2 PHE A 36 -7.326 -5.501 -13.948 1.00 0.00 C ATOM 519 CZ PHE A 36 -6.244 -6.244 -13.602 1.00 0.00 C ATOM 0 H PHE A 36 -10.711 -8.056 -13.043 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.552 -8.217 -10.341 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.529 -5.754 -11.724 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.569 -5.874 -10.262 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.401 -7.622 -10.797 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.303 -4.938 -13.451 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.408 -7.585 -12.197 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.298 -4.886 -14.835 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.360 -6.232 -14.222 1.00 0.00 H new ATOM 529 N VAL A 37 -11.576 -7.891 -8.925 1.00 0.00 N ATOM 530 CA VAL A 37 -12.786 -8.127 -8.112 1.00 0.00 C ATOM 531 C VAL A 37 -13.139 -6.902 -7.259 1.00 0.00 C ATOM 532 O VAL A 37 -14.320 -6.581 -7.118 1.00 0.00 O ATOM 533 CB VAL A 37 -12.683 -9.409 -7.251 1.00 0.00 C ATOM 534 CG1 VAL A 37 -13.981 -9.687 -6.498 1.00 0.00 C ATOM 535 CG2 VAL A 37 -12.416 -10.643 -8.113 1.00 0.00 C ATOM 0 H VAL A 37 -10.710 -7.822 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.605 -8.289 -8.813 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.861 -9.231 -6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -13.870 -10.595 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.206 -8.848 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -14.795 -9.817 -7.211 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.350 -11.525 -7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.230 -10.771 -8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.478 -10.514 -8.652 1.00 0.00 H new ATOM 545 N ASP A 38 -12.149 -6.239 -6.663 1.00 0.00 N ATOM 546 CA ASP A 38 -12.453 -5.108 -5.774 1.00 0.00 C ATOM 547 C ASP A 38 -11.772 -3.832 -6.254 1.00 0.00 C ATOM 548 O ASP A 38 -10.963 -3.821 -7.183 1.00 0.00 O ATOM 549 CB ASP A 38 -12.095 -5.444 -4.323 1.00 0.00 C ATOM 550 CG ASP A 38 -13.099 -6.444 -3.759 1.00 0.00 C ATOM 551 OD1 ASP A 38 -14.151 -6.011 -3.241 1.00 0.00 O ATOM 552 OD2 ASP A 38 -12.850 -7.664 -3.848 1.00 0.00 O ATOM 0 H ASP A 38 -11.157 -6.452 -6.771 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.527 -4.925 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.088 -5.859 -4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.095 -4.536 -3.720 1.00 0.00 H new ATOM 557 N GLN A 39 -12.172 -2.734 -5.625 1.00 0.00 N ATOM 558 CA GLN A 39 -11.857 -1.410 -6.168 1.00 0.00 C ATOM 559 C GLN A 39 -11.428 -0.521 -5.028 1.00 0.00 C ATOM 560 O GLN A 39 -12.174 -0.358 -4.061 1.00 0.00 O ATOM 561 CB GLN A 39 -13.053 -0.737 -6.859 1.00 0.00 C ATOM 562 CG GLN A 39 -13.935 -1.729 -7.609 1.00 0.00 C ATOM 563 CD GLN A 39 -14.985 -1.039 -8.472 1.00 0.00 C ATOM 564 OE1 GLN A 39 -16.048 -0.641 -8.001 1.00 0.00 O ATOM 565 NE2 GLN A 39 -14.699 -0.887 -9.755 1.00 0.00 N ATOM 0 H GLN A 39 -12.705 -2.727 -4.755 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.075 -1.547 -6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.653 -0.216 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.687 0.017 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.310 -2.362 -8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.431 -2.383 -6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.810 -1.226 -10.123 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.368 -0.431 -10.376 1.00 0.00 H new ATOM 574 N PHE A 40 -10.248 0.076 -5.141 1.00 0.00 N ATOM 575 CA PHE A 40 -9.904 1.084 -4.131 1.00 0.00 C ATOM 576 C PHE A 40 -9.629 2.425 -4.829 1.00 0.00 C ATOM 577 O PHE A 40 -9.151 2.503 -5.962 1.00 0.00 O ATOM 578 CB PHE A 40 -8.729 0.580 -3.271 1.00 0.00 C ATOM 579 CG PHE A 40 -8.968 -0.635 -2.380 1.00 0.00 C ATOM 580 CD1 PHE A 40 -10.160 -0.887 -1.770 1.00 0.00 C ATOM 581 CD2 PHE A 40 -7.909 -1.456 -2.136 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.286 -1.941 -0.921 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.031 -2.501 -1.278 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.217 -2.739 -0.664 1.00 0.00 C ATOM 0 H PHE A 40 -9.552 -0.098 -5.866 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.735 1.250 -3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.901 0.347 -3.940 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.403 1.403 -2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.008 -0.247 -1.962 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.965 -1.274 -2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.237 -2.144 -0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.184 -3.143 -1.084 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.311 -3.562 0.029 1.00 0.00 H new ATOM 594 N LEU A 41 -9.940 3.486 -4.098 1.00 0.00 N ATOM 595 CA LEU A 41 -9.823 4.860 -4.592 1.00 0.00 C ATOM 596 C LEU A 41 -8.910 5.588 -3.613 1.00 0.00 C ATOM 597 O LEU A 41 -9.228 5.693 -2.432 1.00 0.00 O ATOM 598 CB LEU A 41 -11.194 5.525 -4.652 1.00 0.00 C ATOM 599 CG LEU A 41 -12.168 4.879 -5.653 1.00 0.00 C ATOM 600 CD1 LEU A 41 -13.559 5.496 -5.503 1.00 0.00 C ATOM 601 CD2 LEU A 41 -11.685 5.057 -7.097 1.00 0.00 C ATOM 0 H LEU A 41 -10.283 3.423 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.415 4.886 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.642 5.498 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.064 6.575 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.212 3.812 -5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.241 5.033 -6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.924 5.329 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.505 6.567 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -12.395 4.589 -7.779 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.608 6.120 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.708 4.589 -7.214 1.00 0.00 H new ATOM 613 N ILE A 42 -7.718 5.941 -4.060 1.00 0.00 N ATOM 614 CA ILE A 42 -6.614 6.283 -3.143 1.00 0.00 C ATOM 615 C ILE A 42 -6.938 7.301 -2.029 1.00 0.00 C ATOM 616 O ILE A 42 -6.442 7.144 -0.913 1.00 0.00 O ATOM 617 CB ILE A 42 -5.425 6.708 -4.037 1.00 0.00 C ATOM 618 CG1 ILE A 42 -4.122 6.865 -3.260 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.650 8.027 -4.786 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.790 5.630 -2.423 1.00 0.00 C ATOM 0 H ILE A 42 -7.477 6.002 -5.049 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.376 5.403 -2.545 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.352 5.887 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.307 7.057 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.194 7.735 -2.607 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.772 8.256 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.522 7.934 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.816 8.830 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.853 5.793 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.590 5.451 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.689 4.764 -3.077 1.00 0.00 H new ATOM 632 N ASN A 43 -7.781 8.304 -2.273 1.00 0.00 N ATOM 633 CA ASN A 43 -8.178 9.204 -1.171 1.00 0.00 C ATOM 634 C ASN A 43 -9.267 8.614 -0.248 1.00 0.00 C ATOM 635 O ASN A 43 -9.272 8.887 0.955 1.00 0.00 O ATOM 636 CB ASN A 43 -8.594 10.575 -1.735 1.00 0.00 C ATOM 637 CG ASN A 43 -9.841 10.554 -2.623 1.00 0.00 C ATOM 638 OD1 ASN A 43 -10.971 10.658 -2.150 1.00 0.00 O ATOM 639 ND2 ASN A 43 -9.650 10.435 -3.924 1.00 0.00 N ATOM 0 H ASN A 43 -8.192 8.516 -3.182 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.303 9.329 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.770 11.256 -0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.763 10.983 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.449 10.428 -4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.704 10.350 -4.295 1.00 0.00 H new ATOM 646 N LYS A 44 -10.154 7.764 -0.768 1.00 0.00 N ATOM 647 CA LYS A 44 -11.180 7.131 0.072 1.00 0.00 C ATOM 648 C LYS A 44 -10.660 5.902 0.839 1.00 0.00 C ATOM 649 O LYS A 44 -11.150 5.619 1.931 1.00 0.00 O ATOM 650 CB LYS A 44 -12.377 6.747 -0.807 1.00 0.00 C ATOM 651 CG LYS A 44 -13.095 7.969 -1.390 1.00 0.00 C ATOM 652 CD LYS A 44 -14.350 7.558 -2.165 1.00 0.00 C ATOM 653 CE LYS A 44 -15.090 8.760 -2.763 1.00 0.00 C ATOM 654 NZ LYS A 44 -14.292 9.411 -3.816 1.00 0.00 N ATOM 0 H LYS A 44 -10.186 7.499 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.480 7.855 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.035 6.108 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.083 6.162 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.369 8.651 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.418 8.511 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.071 6.872 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.022 7.015 -1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.044 8.433 -3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.314 9.480 -1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.864 10.144 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.448 9.847 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.000 8.702 -4.518 1.00 0.00 H new ATOM 668 N LEU A 45 -9.666 5.178 0.317 1.00 0.00 N ATOM 669 CA LEU A 45 -9.035 4.099 1.106 1.00 0.00 C ATOM 670 C LEU A 45 -8.249 4.646 2.305 1.00 0.00 C ATOM 671 O LEU A 45 -8.310 4.120 3.416 1.00 0.00 O ATOM 672 CB LEU A 45 -8.016 3.392 0.204 1.00 0.00 C ATOM 673 CG LEU A 45 -7.474 2.069 0.776 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.581 1.029 0.960 1.00 0.00 C ATOM 675 CD2 LEU A 45 -6.392 1.508 -0.151 1.00 0.00 C ATOM 0 H LEU A 45 -9.285 5.307 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.825 3.440 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.480 3.194 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.179 4.066 0.023 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.051 2.283 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.155 0.111 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.332 1.415 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.046 0.818 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.012 0.572 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.817 1.326 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.576 2.226 -0.234 1.00 0.00 H new ATOM 687 N ASN A 46 -7.550 5.750 2.059 1.00 0.00 N ATOM 688 CA ASN A 46 -6.825 6.452 3.130 1.00 0.00 C ATOM 689 C ASN A 46 -7.765 7.156 4.133 1.00 0.00 C ATOM 690 O ASN A 46 -7.381 7.379 5.282 1.00 0.00 O ATOM 691 CB ASN A 46 -5.844 7.428 2.458 1.00 0.00 C ATOM 692 CG ASN A 46 -4.977 8.207 3.447 1.00 0.00 C ATOM 693 OD1 ASN A 46 -5.310 9.317 3.859 1.00 0.00 O ATOM 694 ND2 ASN A 46 -3.851 7.638 3.839 1.00 0.00 N ATOM 0 H ASN A 46 -7.466 6.180 1.138 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.279 5.730 3.737 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.196 6.870 1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.408 8.134 1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.238 8.120 4.496 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.595 6.717 3.484 1.00 0.00 H new ATOM 701 N ASP A 47 -8.995 7.482 3.734 1.00 0.00 N ATOM 702 CA ASP A 47 -9.986 7.983 4.703 1.00 0.00 C ATOM 703 C ASP A 47 -10.628 6.831 5.501 1.00 0.00 C ATOM 704 O ASP A 47 -10.887 6.989 6.695 1.00 0.00 O ATOM 705 CB ASP A 47 -11.048 8.846 3.998 1.00 0.00 C ATOM 706 CG ASP A 47 -12.010 9.511 4.979 1.00 0.00 C ATOM 707 OD1 ASP A 47 -11.645 10.552 5.569 1.00 0.00 O ATOM 708 OD2 ASP A 47 -13.134 8.996 5.165 1.00 0.00 O ATOM 0 H ASP A 47 -9.329 7.413 2.773 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.465 8.616 5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.551 9.614 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.614 8.224 3.305 1.00 0.00 H new ATOM 713 N GLY A 48 -10.889 5.685 4.869 1.00 0.00 N ATOM 714 CA GLY A 48 -11.452 4.538 5.596 1.00 0.00 C ATOM 715 C GLY A 48 -12.812 4.039 5.085 1.00 0.00 C ATOM 716 O GLY A 48 -13.495 3.300 5.798 1.00 0.00 O ATOM 0 H GLY A 48 -10.725 5.524 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.740 3.714 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.555 4.810 6.647 1.00 0.00 H new ATOM 720 N SER A 49 -13.238 4.433 3.887 1.00 0.00 N ATOM 721 CA SER A 49 -14.580 4.059 3.404 1.00 0.00 C ATOM 722 C SER A 49 -14.743 2.579 3.009 1.00 0.00 C ATOM 723 O SER A 49 -15.850 2.045 3.087 1.00 0.00 O ATOM 724 CB SER A 49 -14.914 4.962 2.208 1.00 0.00 C ATOM 725 OG SER A 49 -16.254 4.750 1.789 1.00 0.00 O ATOM 0 H SER A 49 -12.692 5.000 3.239 1.00 0.00 H new ATOM 0 HA SER A 49 -15.270 4.199 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.773 6.007 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.231 4.754 1.384 1.00 0.00 H new ATOM 0 HG SER A 49 -16.455 5.333 1.027 1.00 0.00 H new ATOM 731 N ILE A 50 -13.672 1.914 2.576 1.00 0.00 N ATOM 732 CA ILE A 50 -13.822 0.611 1.902 1.00 0.00 C ATOM 733 C ILE A 50 -13.184 -0.476 2.761 1.00 0.00 C ATOM 734 O ILE A 50 -11.991 -0.441 3.071 1.00 0.00 O ATOM 735 CB ILE A 50 -13.155 0.616 0.512 1.00 0.00 C ATOM 736 CG1 ILE A 50 -13.514 1.908 -0.241 1.00 0.00 C ATOM 737 CG2 ILE A 50 -13.546 -0.648 -0.269 1.00 0.00 C ATOM 738 CD1 ILE A 50 -12.995 1.938 -1.672 1.00 0.00 C ATOM 0 H ILE A 50 -12.710 2.240 2.673 1.00 0.00 H new ATOM 0 HA ILE A 50 -14.886 0.416 1.769 1.00 0.00 H new ATOM 0 HB ILE A 50 -12.071 0.599 0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.598 2.024 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.108 2.761 0.303 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.069 -0.633 -1.249 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.219 -1.531 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.628 -0.679 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.284 2.877 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.908 1.854 -1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.421 1.105 -2.231 1.00 0.00 H new ATOM 750 N THR A 51 -14.011 -1.441 3.146 1.00 0.00 N ATOM 751 CA THR A 51 -13.504 -2.594 3.910 1.00 0.00 C ATOM 752 C THR A 51 -13.492 -3.847 3.041 1.00 0.00 C ATOM 753 O THR A 51 -14.520 -4.306 2.541 1.00 0.00 O ATOM 754 CB THR A 51 -14.261 -2.868 5.221 1.00 0.00 C ATOM 755 OG1 THR A 51 -14.163 -1.734 6.070 1.00 0.00 O ATOM 756 CG2 THR A 51 -13.656 -4.084 5.941 1.00 0.00 C ATOM 0 H THR A 51 -15.012 -1.458 2.952 1.00 0.00 H new ATOM 0 HA THR A 51 -12.488 -2.328 4.200 1.00 0.00 H new ATOM 0 HB THR A 51 -15.306 -3.071 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.647 -1.907 6.905 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.201 -4.267 6.867 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.729 -4.961 5.298 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.608 -3.888 6.169 1.00 0.00 H new ATOM 764 N LEU A 52 -12.293 -4.398 2.889 1.00 0.00 N ATOM 765 CA LEU A 52 -12.133 -5.662 2.167 1.00 0.00 C ATOM 766 C LEU A 52 -11.502 -6.723 3.096 1.00 0.00 C ATOM 767 O LEU A 52 -11.439 -6.570 4.317 1.00 0.00 O ATOM 768 CB LEU A 52 -11.304 -5.306 0.921 1.00 0.00 C ATOM 769 CG LEU A 52 -11.272 -6.370 -0.183 1.00 0.00 C ATOM 770 CD1 LEU A 52 -12.684 -6.825 -0.569 1.00 0.00 C ATOM 771 CD2 LEU A 52 -10.546 -5.798 -1.401 1.00 0.00 C ATOM 0 H LEU A 52 -11.426 -3.999 3.249 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.070 -6.118 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.697 -4.382 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.280 -5.103 1.234 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.741 -7.246 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.622 -7.579 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.181 -7.250 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.255 -5.970 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.518 -6.547 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.074 -4.914 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.528 -5.525 -1.123 1.00 0.00 H new ATOM 783 N GLU A 53 -11.041 -7.809 2.491 1.00 0.00 N ATOM 784 CA GLU A 53 -10.499 -8.953 3.240 1.00 0.00 C ATOM 785 C GLU A 53 -8.963 -8.874 3.263 1.00 0.00 C ATOM 786 O GLU A 53 -8.360 -7.931 2.743 1.00 0.00 O ATOM 787 CB GLU A 53 -10.984 -10.252 2.573 1.00 0.00 C ATOM 788 CG GLU A 53 -12.506 -10.422 2.634 1.00 0.00 C ATOM 789 CD GLU A 53 -12.942 -11.716 1.959 1.00 0.00 C ATOM 790 OE1 GLU A 53 -13.137 -11.715 0.724 1.00 0.00 O ATOM 791 OE2 GLU A 53 -13.094 -12.740 2.660 1.00 0.00 O ATOM 0 H GLU A 53 -11.028 -7.930 1.478 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.849 -8.936 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.664 -10.261 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.509 -11.104 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -12.833 -10.423 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.989 -9.574 2.148 1.00 0.00 H new ATOM 798 N ASN A 54 -8.320 -9.888 3.837 1.00 0.00 N ATOM 799 CA ASN A 54 -6.855 -10.011 3.733 1.00 0.00 C ATOM 800 C ASN A 54 -6.345 -11.298 3.063 1.00 0.00 C ATOM 801 O ASN A 54 -5.710 -12.129 3.716 1.00 0.00 O ATOM 802 CB ASN A 54 -6.284 -9.817 5.154 1.00 0.00 C ATOM 803 CG ASN A 54 -6.800 -10.797 6.216 1.00 0.00 C ATOM 804 OD1 ASN A 54 -7.962 -10.760 6.622 1.00 0.00 O ATOM 805 ND2 ASN A 54 -5.937 -11.675 6.696 1.00 0.00 N ATOM 0 H ASN A 54 -8.774 -10.628 4.372 1.00 0.00 H new ATOM 0 HA ASN A 54 -6.496 -9.240 3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.198 -9.902 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.510 -8.802 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.229 -12.337 7.415 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.978 -11.691 6.348 1.00 0.00 H new ATOM 812 N ALA A 55 -6.626 -11.502 1.774 1.00 0.00 N ATOM 813 CA ALA A 55 -6.330 -12.822 1.180 1.00 0.00 C ATOM 814 C ALA A 55 -6.219 -12.869 -0.358 1.00 0.00 C ATOM 815 O ALA A 55 -5.106 -12.899 -0.884 1.00 0.00 O ATOM 816 CB ALA A 55 -7.326 -13.866 1.688 1.00 0.00 C ATOM 0 H ALA A 55 -7.037 -10.814 1.143 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.321 -13.056 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.097 -14.834 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.254 -13.939 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.337 -13.569 1.410 1.00 0.00 H new ATOM 822 N LYS A 56 -7.332 -13.081 -1.071 1.00 0.00 N ATOM 823 CA LYS A 56 -7.249 -13.577 -2.459 1.00 0.00 C ATOM 824 C LYS A 56 -7.407 -12.501 -3.532 1.00 0.00 C ATOM 825 O LYS A 56 -8.192 -12.623 -4.470 1.00 0.00 O ATOM 826 CB LYS A 56 -8.240 -14.717 -2.716 1.00 0.00 C ATOM 827 CG LYS A 56 -7.858 -15.964 -1.926 1.00 0.00 C ATOM 828 CD LYS A 56 -8.468 -17.212 -2.571 1.00 0.00 C ATOM 829 CE LYS A 56 -8.105 -18.481 -1.800 1.00 0.00 C ATOM 830 NZ LYS A 56 -8.746 -19.654 -2.411 1.00 0.00 N ATOM 0 H LYS A 56 -8.279 -12.923 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.229 -13.952 -2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.245 -14.400 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.263 -14.950 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.773 -16.060 -1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.206 -15.871 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.552 -17.108 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.118 -17.298 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.023 -18.613 -1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.421 -18.386 -0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.490 -20.508 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.779 -19.533 -2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.424 -19.753 -3.395 1.00 0.00 H new ATOM 844 N TYR A 57 -6.593 -11.468 -3.428 1.00 0.00 N ATOM 845 CA TYR A 57 -6.415 -10.509 -4.533 1.00 0.00 C ATOM 846 C TYR A 57 -5.003 -10.578 -5.136 1.00 0.00 C ATOM 847 O TYR A 57 -4.517 -9.522 -5.537 1.00 0.00 O ATOM 848 CB TYR A 57 -6.799 -9.067 -4.200 1.00 0.00 C ATOM 849 CG TYR A 57 -8.043 -9.001 -3.325 1.00 0.00 C ATOM 850 CD1 TYR A 57 -9.264 -9.255 -3.874 1.00 0.00 C ATOM 851 CD2 TYR A 57 -7.921 -8.876 -1.976 1.00 0.00 C ATOM 852 CE1 TYR A 57 -10.348 -9.418 -3.073 1.00 0.00 C ATOM 853 CE2 TYR A 57 -9.008 -9.037 -1.176 1.00 0.00 C ATOM 854 CZ TYR A 57 -10.218 -9.325 -1.724 1.00 0.00 C ATOM 855 OH TYR A 57 -11.302 -9.547 -0.917 1.00 0.00 O ATOM 0 H TYR A 57 -6.040 -11.260 -2.597 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.132 -10.834 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.969 -8.579 -3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -6.974 -8.515 -5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.369 -9.327 -4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.959 -8.649 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.315 -9.622 -3.509 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.910 -8.936 -0.105 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.260 -10.457 -0.555 1.00 0.00 H new ATOM 865 N GLU A 58 -4.259 -11.686 -4.977 1.00 0.00 N ATOM 866 CA GLU A 58 -2.789 -11.712 -5.184 1.00 0.00 C ATOM 867 C GLU A 58 -2.289 -11.368 -6.618 1.00 0.00 C ATOM 868 O GLU A 58 -1.289 -11.896 -7.106 1.00 0.00 O ATOM 869 CB GLU A 58 -2.252 -13.098 -4.763 1.00 0.00 C ATOM 870 CG GLU A 58 -2.904 -14.320 -5.432 1.00 0.00 C ATOM 871 CD GLU A 58 -4.235 -14.721 -4.805 1.00 0.00 C ATOM 872 OE1 GLU A 58 -4.237 -15.193 -3.646 1.00 0.00 O ATOM 873 OE2 GLU A 58 -5.285 -14.573 -5.466 1.00 0.00 O ATOM 0 H GLU A 58 -4.651 -12.587 -4.703 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.396 -10.907 -4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.182 -13.126 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.371 -13.196 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.060 -14.105 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.217 -15.164 -5.376 1.00 0.00 H new ATOM 880 N THR A 59 -2.936 -10.392 -7.242 1.00 0.00 N ATOM 881 CA THR A 59 -2.412 -9.714 -8.438 1.00 0.00 C ATOM 882 C THR A 59 -2.922 -8.281 -8.320 1.00 0.00 C ATOM 883 O THR A 59 -4.119 -8.006 -8.257 1.00 0.00 O ATOM 884 CB THR A 59 -2.755 -10.397 -9.777 1.00 0.00 C ATOM 885 OG1 THR A 59 -1.671 -11.228 -10.163 1.00 0.00 O ATOM 886 CG2 THR A 59 -3.084 -9.438 -10.914 1.00 0.00 C ATOM 0 H THR A 59 -3.844 -10.041 -6.937 1.00 0.00 H new ATOM 0 HA THR A 59 -1.323 -9.756 -8.464 1.00 0.00 H new ATOM 0 HB THR A 59 -3.664 -10.972 -9.600 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.826 -10.803 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.312 -10.007 -11.815 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.947 -8.831 -10.640 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.229 -8.789 -11.102 1.00 0.00 H new ATOM 894 N VAL A 60 -1.964 -7.385 -8.175 1.00 0.00 N ATOM 895 CA VAL A 60 -2.266 -6.024 -7.728 1.00 0.00 C ATOM 896 C VAL A 60 -2.006 -5.108 -8.932 1.00 0.00 C ATOM 897 O VAL A 60 -1.004 -5.244 -9.632 1.00 0.00 O ATOM 898 CB VAL A 60 -1.307 -5.758 -6.558 1.00 0.00 C ATOM 899 CG1 VAL A 60 -1.405 -4.342 -6.028 1.00 0.00 C ATOM 900 CG2 VAL A 60 -1.548 -6.704 -5.382 1.00 0.00 C ATOM 0 H VAL A 60 -0.977 -7.565 -8.356 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.290 -5.860 -7.392 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.315 -5.925 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.705 -4.213 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.162 -3.638 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.419 -4.155 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.845 -6.475 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.567 -6.578 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.404 -7.734 -5.708 1.00 0.00 H new ATOM 910 N HIS A 61 -2.924 -4.185 -9.194 1.00 0.00 N ATOM 911 CA HIS A 61 -2.740 -3.208 -10.280 1.00 0.00 C ATOM 912 C HIS A 61 -2.826 -1.802 -9.670 1.00 0.00 C ATOM 913 O HIS A 61 -3.761 -1.553 -8.909 1.00 0.00 O ATOM 914 CB HIS A 61 -3.821 -3.492 -11.358 1.00 0.00 C ATOM 915 CG HIS A 61 -3.217 -4.373 -12.432 1.00 0.00 C ATOM 916 ND1 HIS A 61 -3.232 -5.763 -12.406 1.00 0.00 N ATOM 917 CD2 HIS A 61 -2.299 -3.906 -13.372 1.00 0.00 C ATOM 918 CE1 HIS A 61 -2.313 -5.998 -13.401 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.747 -4.953 -14.075 1.00 0.00 N ATOM 0 H HIS A 61 -3.799 -4.086 -8.679 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.768 -3.285 -10.768 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.684 -3.983 -10.908 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.177 -2.557 -11.792 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.763 -6.411 -11.825 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.055 -2.866 -13.527 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -2.038 -7.012 -13.651 1.00 0.00 H new ATOM 927 N TYR A 62 -1.937 -0.848 -9.999 1.00 0.00 N ATOM 928 CA TYR A 62 -2.270 0.550 -9.661 1.00 0.00 C ATOM 929 C TYR A 62 -2.242 1.402 -10.940 1.00 0.00 C ATOM 930 O TYR A 62 -1.394 1.242 -11.820 1.00 0.00 O ATOM 931 CB TYR A 62 -1.208 1.072 -8.662 1.00 0.00 C ATOM 932 CG TYR A 62 -1.618 2.101 -7.622 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.481 3.118 -7.889 1.00 0.00 C ATOM 934 CD2 TYR A 62 -0.976 2.066 -6.422 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.728 4.072 -6.956 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.211 3.029 -5.496 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.079 4.036 -5.766 1.00 0.00 C ATOM 938 OH TYR A 62 -2.268 5.036 -4.852 1.00 0.00 O ATOM 0 H TYR A 62 -1.043 -0.998 -10.466 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.263 0.609 -9.216 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.804 0.210 -8.131 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.391 1.499 -9.244 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.973 3.167 -8.849 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.278 1.270 -6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.440 4.858 -7.161 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.706 2.994 -4.542 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.655 4.910 -4.098 1.00 0.00 H new ATOM 948 N LEU A 63 -3.195 2.325 -11.010 1.00 0.00 N ATOM 949 CA LEU A 63 -3.447 3.087 -12.222 1.00 0.00 C ATOM 950 C LEU A 63 -3.361 4.584 -11.890 1.00 0.00 C ATOM 951 O LEU A 63 -4.361 5.168 -11.471 1.00 0.00 O ATOM 952 CB LEU A 63 -4.823 2.624 -12.714 1.00 0.00 C ATOM 953 CG LEU A 63 -5.317 3.412 -13.914 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.372 3.164 -15.085 1.00 0.00 C ATOM 955 CD2 LEU A 63 -6.720 2.908 -14.206 1.00 0.00 C ATOM 0 H LEU A 63 -3.810 2.563 -10.232 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.719 2.925 -13.017 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.773 1.567 -12.975 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.544 2.718 -11.902 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.340 4.487 -13.734 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.715 3.724 -15.955 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.367 3.490 -14.817 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.357 2.100 -15.322 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.127 3.442 -15.064 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.685 1.841 -14.426 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.356 3.078 -13.337 1.00 0.00 H new ATOM 967 N THR A 64 -2.194 5.210 -12.000 1.00 0.00 N ATOM 968 CA THR A 64 -2.051 6.585 -11.489 1.00 0.00 C ATOM 969 C THR A 64 -1.234 7.368 -12.533 1.00 0.00 C ATOM 970 O THR A 64 -0.068 7.043 -12.758 1.00 0.00 O ATOM 971 CB THR A 64 -1.410 6.628 -10.097 1.00 0.00 C ATOM 972 OG1 THR A 64 -2.166 5.815 -9.214 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.423 8.056 -9.542 1.00 0.00 C ATOM 0 H THR A 64 -1.355 4.812 -12.422 1.00 0.00 H new ATOM 0 HA THR A 64 -3.032 7.041 -11.354 1.00 0.00 H new ATOM 0 HB THR A 64 -0.382 6.274 -10.179 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.642 5.025 -8.967 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.964 8.066 -8.553 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.863 8.711 -10.209 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.452 8.408 -9.468 1.00 0.00 H new ATOM 981 N PRO A 65 -1.809 8.379 -13.203 1.00 0.00 N ATOM 982 CA PRO A 65 -1.167 9.030 -14.356 1.00 0.00 C ATOM 983 C PRO A 65 0.240 9.589 -14.113 1.00 0.00 C ATOM 984 O PRO A 65 0.613 9.947 -12.995 1.00 0.00 O ATOM 985 CB PRO A 65 -2.155 10.155 -14.667 1.00 0.00 C ATOM 986 CG PRO A 65 -3.513 9.583 -14.271 1.00 0.00 C ATOM 987 CD PRO A 65 -3.226 8.721 -13.049 1.00 0.00 C ATOM 0 HA PRO A 65 -0.988 8.315 -15.159 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.922 11.057 -14.100 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.130 10.426 -15.722 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.224 10.376 -14.039 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.946 8.993 -15.079 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.410 9.263 -12.122 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.855 7.831 -13.028 1.00 0.00 H new ATOM 995 N GLU A 66 1.023 9.631 -15.187 1.00 0.00 N ATOM 996 CA GLU A 66 2.460 9.938 -15.068 1.00 0.00 C ATOM 997 C GLU A 66 2.802 11.362 -15.562 1.00 0.00 C ATOM 998 O GLU A 66 3.894 11.604 -16.079 1.00 0.00 O ATOM 999 CB GLU A 66 3.227 8.843 -15.833 1.00 0.00 C ATOM 1000 CG GLU A 66 4.720 8.757 -15.484 1.00 0.00 C ATOM 1001 CD GLU A 66 4.957 8.348 -14.034 1.00 0.00 C ATOM 1002 OE1 GLU A 66 4.849 7.142 -13.722 1.00 0.00 O ATOM 1003 OE2 GLU A 66 5.254 9.232 -13.201 1.00 0.00 O ATOM 0 H GLU A 66 0.701 9.460 -16.140 1.00 0.00 H new ATOM 0 HA GLU A 66 2.759 9.935 -14.020 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.762 7.879 -15.628 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.126 9.025 -16.903 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.204 8.038 -16.145 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.189 9.724 -15.667 1.00 0.00 H new ATOM 1010 N ALA A 67 1.874 12.310 -15.441 1.00 0.00 N ATOM 1011 CA ALA A 67 2.053 13.625 -16.082 1.00 0.00 C ATOM 1012 C ALA A 67 2.546 14.645 -15.045 1.00 0.00 C ATOM 1013 O ALA A 67 3.589 15.269 -15.235 1.00 0.00 O ATOM 1014 CB ALA A 67 0.732 14.063 -16.719 1.00 0.00 C ATOM 0 H ALA A 67 1.005 12.203 -14.918 1.00 0.00 H new ATOM 0 HA ALA A 67 2.805 13.559 -16.868 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.862 15.036 -17.194 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.429 13.331 -17.468 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.037 14.135 -15.950 1.00 0.00 H new ATOM 1020 N GLN A 68 1.783 14.851 -13.972 1.00 0.00 N ATOM 1021 CA GLN A 68 2.072 15.952 -13.042 1.00 0.00 C ATOM 1022 C GLN A 68 3.170 15.465 -12.087 1.00 0.00 C ATOM 1023 O GLN A 68 2.985 14.481 -11.371 1.00 0.00 O ATOM 1024 CB GLN A 68 0.788 16.343 -12.298 1.00 0.00 C ATOM 1025 CG GLN A 68 0.983 17.588 -11.426 1.00 0.00 C ATOM 1026 CD GLN A 68 -0.304 17.970 -10.706 1.00 0.00 C ATOM 1027 OE1 GLN A 68 -0.637 17.433 -9.650 1.00 0.00 O ATOM 1028 NE2 GLN A 68 -1.049 18.909 -11.265 1.00 0.00 N ATOM 0 H GLN A 68 0.973 14.283 -13.724 1.00 0.00 H new ATOM 0 HA GLN A 68 2.421 16.843 -13.563 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.007 16.528 -13.020 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.464 15.511 -11.673 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.769 17.402 -10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.315 18.420 -12.047 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.753 19.341 -12.141 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.919 19.202 -10.820 1.00 0.00 H new ATOM 1037 N THR A 69 4.340 16.097 -12.151 1.00 0.00 N ATOM 1038 CA THR A 69 5.542 15.513 -11.529 1.00 0.00 C ATOM 1039 C THR A 69 5.613 15.711 -10.002 1.00 0.00 C ATOM 1040 O THR A 69 6.328 16.569 -9.482 1.00 0.00 O ATOM 1041 CB THR A 69 6.792 16.025 -12.273 1.00 0.00 C ATOM 1042 OG1 THR A 69 7.950 15.421 -11.715 1.00 0.00 O ATOM 1043 CG2 THR A 69 6.970 17.550 -12.253 1.00 0.00 C ATOM 0 H THR A 69 4.488 16.993 -12.614 1.00 0.00 H new ATOM 0 HA THR A 69 5.490 14.430 -11.638 1.00 0.00 H new ATOM 0 HB THR A 69 6.650 15.748 -13.318 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.746 15.743 -12.187 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.874 17.818 -12.800 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.108 18.023 -12.723 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.055 17.893 -11.222 1.00 0.00 H new ATOM 1051 N ASP A 70 4.822 14.917 -9.287 1.00 0.00 N ATOM 1052 CA ASP A 70 4.626 15.120 -7.843 1.00 0.00 C ATOM 1053 C ASP A 70 4.725 13.743 -7.165 1.00 0.00 C ATOM 1054 O ASP A 70 4.937 12.723 -7.829 1.00 0.00 O ATOM 1055 CB ASP A 70 3.275 15.813 -7.592 1.00 0.00 C ATOM 1056 CG ASP A 70 2.048 15.009 -8.022 1.00 0.00 C ATOM 1057 OD1 ASP A 70 1.630 14.097 -7.277 1.00 0.00 O ATOM 1058 OD2 ASP A 70 1.494 15.289 -9.106 1.00 0.00 O ATOM 0 H ASP A 70 4.305 14.128 -9.676 1.00 0.00 H new ATOM 0 HA ASP A 70 5.389 15.774 -7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.190 16.036 -6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.269 16.767 -8.120 1.00 0.00 H new ATOM 1063 N ILE A 71 4.601 13.682 -5.840 1.00 0.00 N ATOM 1064 CA ILE A 71 4.906 12.413 -5.156 1.00 0.00 C ATOM 1065 C ILE A 71 3.627 11.568 -5.058 1.00 0.00 C ATOM 1066 O ILE A 71 2.508 12.080 -4.980 1.00 0.00 O ATOM 1067 CB ILE A 71 5.599 12.634 -3.791 1.00 0.00 C ATOM 1068 CG1 ILE A 71 4.845 13.542 -2.799 1.00 0.00 C ATOM 1069 CG2 ILE A 71 6.998 13.219 -4.023 1.00 0.00 C ATOM 1070 CD1 ILE A 71 3.712 12.836 -2.050 1.00 0.00 C ATOM 0 H ILE A 71 4.307 14.451 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 71 5.632 11.856 -5.748 1.00 0.00 H new ATOM 0 HB ILE A 71 5.629 11.649 -3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.555 13.939 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.434 14.393 -3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.490 13.376 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.587 12.526 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.912 14.171 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.230 13.540 -1.372 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.980 12.463 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.118 12.002 -1.478 1.00 0.00 H new ATOM 1082 N LYS A 72 3.818 10.254 -5.075 1.00 0.00 N ATOM 1083 CA LYS A 72 2.645 9.355 -5.211 1.00 0.00 C ATOM 1084 C LYS A 72 2.008 8.807 -3.913 1.00 0.00 C ATOM 1085 O LYS A 72 0.816 9.032 -3.701 1.00 0.00 O ATOM 1086 CB LYS A 72 2.961 8.182 -6.155 1.00 0.00 C ATOM 1087 CG LYS A 72 3.191 8.607 -7.614 1.00 0.00 C ATOM 1088 CD LYS A 72 3.627 7.436 -8.502 1.00 0.00 C ATOM 1089 CE LYS A 72 2.539 6.370 -8.655 1.00 0.00 C ATOM 1090 NZ LYS A 72 2.993 5.305 -9.563 1.00 0.00 N ATOM 0 H LYS A 72 4.723 9.790 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 72 1.886 10.020 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.849 7.665 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.139 7.467 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.273 9.040 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.952 9.387 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.899 7.815 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.521 6.978 -8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.295 5.947 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.627 6.824 -9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.246 4.588 -9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.204 5.711 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.851 4.862 -9.177 1.00 0.00 H new ATOM 1104 N PHE A 73 2.669 7.893 -3.198 1.00 0.00 N ATOM 1105 CA PHE A 73 1.940 6.978 -2.300 1.00 0.00 C ATOM 1106 C PHE A 73 2.564 6.945 -0.903 1.00 0.00 C ATOM 1107 O PHE A 73 3.788 7.017 -0.776 1.00 0.00 O ATOM 1108 CB PHE A 73 2.083 5.618 -3.021 1.00 0.00 C ATOM 1109 CG PHE A 73 1.250 4.428 -2.586 1.00 0.00 C ATOM 1110 CD1 PHE A 73 -0.027 4.548 -2.135 1.00 0.00 C ATOM 1111 CD2 PHE A 73 1.778 3.188 -2.779 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.750 3.439 -1.832 1.00 0.00 C ATOM 1113 CE2 PHE A 73 1.044 2.082 -2.504 1.00 0.00 C ATOM 1114 CZ PHE A 73 -0.200 2.208 -1.990 1.00 0.00 C ATOM 0 H PHE A 73 3.681 7.763 -3.217 1.00 0.00 H new ATOM 0 HA PHE A 73 0.904 7.271 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.873 5.789 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.130 5.323 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.467 5.527 -2.017 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.786 3.085 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.761 3.536 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.453 1.101 -2.695 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.757 1.328 -1.705 1.00 0.00 H new ATOM 1124 N PRO A 74 1.780 6.719 0.160 1.00 0.00 N ATOM 1125 CA PRO A 74 2.346 6.567 1.501 1.00 0.00 C ATOM 1126 C PRO A 74 2.860 5.139 1.728 1.00 0.00 C ATOM 1127 O PRO A 74 2.335 4.171 1.172 1.00 0.00 O ATOM 1128 CB PRO A 74 1.160 6.897 2.406 1.00 0.00 C ATOM 1129 CG PRO A 74 0.104 7.564 1.533 1.00 0.00 C ATOM 1130 CD PRO A 74 0.331 6.958 0.157 1.00 0.00 C ATOM 0 HA PRO A 74 3.211 7.205 1.685 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.764 5.992 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.466 7.560 3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.903 7.361 1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.225 8.647 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.234 6.036 0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.032 7.637 -0.642 1.00 0.00 H new ATOM 1138 N LYS A 75 3.887 5.007 2.561 1.00 0.00 N ATOM 1139 CA LYS A 75 4.410 3.667 2.899 1.00 0.00 C ATOM 1140 C LYS A 75 3.390 2.758 3.620 1.00 0.00 C ATOM 1141 O LYS A 75 3.359 1.543 3.400 1.00 0.00 O ATOM 1142 CB LYS A 75 5.685 3.785 3.748 1.00 0.00 C ATOM 1143 CG LYS A 75 6.823 4.510 3.017 1.00 0.00 C ATOM 1144 CD LYS A 75 8.116 4.566 3.840 1.00 0.00 C ATOM 1145 CE LYS A 75 8.767 3.190 4.012 1.00 0.00 C ATOM 1146 NZ LYS A 75 10.029 3.316 4.757 1.00 0.00 N ATOM 0 H LYS A 75 4.371 5.784 3.010 1.00 0.00 H new ATOM 0 HA LYS A 75 4.633 3.190 1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.454 4.319 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.020 2.787 4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.021 4.006 2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.506 5.525 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.822 5.239 3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.899 4.986 4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.088 2.522 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.955 2.744 3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.462 2.377 4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.679 3.938 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.839 3.723 5.695 1.00 0.00 H new ATOM 1160 N LYS A 76 2.566 3.331 4.499 1.00 0.00 N ATOM 1161 CA LYS A 76 1.573 2.534 5.245 1.00 0.00 C ATOM 1162 C LYS A 76 0.552 1.814 4.348 1.00 0.00 C ATOM 1163 O LYS A 76 0.092 0.720 4.680 1.00 0.00 O ATOM 1164 CB LYS A 76 0.824 3.434 6.238 1.00 0.00 C ATOM 1165 CG LYS A 76 1.739 4.003 7.329 1.00 0.00 C ATOM 1166 CD LYS A 76 0.953 4.861 8.322 1.00 0.00 C ATOM 1167 CE LYS A 76 1.869 5.422 9.410 1.00 0.00 C ATOM 1168 NZ LYS A 76 1.095 6.242 10.356 1.00 0.00 N ATOM 0 H LYS A 76 2.560 4.328 4.714 1.00 0.00 H new ATOM 0 HA LYS A 76 2.137 1.759 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.357 4.256 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.021 2.863 6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.228 3.186 7.859 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.526 4.602 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.466 5.681 7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.164 4.263 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.357 4.605 9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.657 6.023 8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.729 6.617 11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.649 7.032 9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.359 5.657 10.801 1.00 0.00 H new ATOM 1182 N LEU A 77 0.218 2.388 3.193 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.712 1.696 2.275 1.00 0.00 C ATOM 1184 C LEU A 77 0.002 0.559 1.517 1.00 0.00 C ATOM 1185 O LEU A 77 -0.628 -0.458 1.240 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.444 2.622 1.280 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.562 3.469 1.910 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -2.029 4.498 2.906 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.352 4.213 0.830 1.00 0.00 C ATOM 0 H LEU A 77 0.557 3.295 2.871 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.486 1.282 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.715 3.288 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.870 2.014 0.482 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.206 2.769 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.861 5.068 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.503 3.986 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.343 5.175 2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.138 4.806 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.682 4.871 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.800 3.493 0.145 1.00 0.00 H new ATOM 1201 N ILE A 78 1.306 0.657 1.243 1.00 0.00 N ATOM 1202 CA ILE A 78 2.074 -0.491 0.746 1.00 0.00 C ATOM 1203 C ILE A 78 2.142 -1.628 1.793 1.00 0.00 C ATOM 1204 O ILE A 78 2.115 -2.795 1.401 1.00 0.00 O ATOM 1205 CB ILE A 78 3.462 0.068 0.368 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.457 1.128 -0.740 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.421 -1.060 0.010 1.00 0.00 C ATOM 1208 CD1 ILE A 78 4.803 1.837 -0.918 1.00 0.00 C ATOM 0 H ILE A 78 1.850 1.512 1.355 1.00 0.00 H new ATOM 0 HA ILE A 78 1.601 -0.952 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 78 3.805 0.585 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.178 0.656 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.691 1.871 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.393 -0.642 -0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.532 -1.728 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.025 -1.619 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.724 2.573 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.075 2.339 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.569 1.105 -1.173 1.00 0.00 H new ATOM 1220 N SER A 79 2.211 -1.345 3.101 1.00 0.00 N ATOM 1221 CA SER A 79 2.142 -2.438 4.091 1.00 0.00 C ATOM 1222 C SER A 79 0.745 -3.086 4.165 1.00 0.00 C ATOM 1223 O SER A 79 0.636 -4.303 4.317 1.00 0.00 O ATOM 1224 CB SER A 79 2.610 -1.946 5.466 1.00 0.00 C ATOM 1225 OG SER A 79 1.731 -0.959 5.986 1.00 0.00 O ATOM 0 H SER A 79 2.311 -0.408 3.492 1.00 0.00 H new ATOM 0 HA SER A 79 2.820 -3.222 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.665 -2.788 6.157 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.616 -1.534 5.385 1.00 0.00 H new ATOM 0 HG SER A 79 1.257 -0.521 5.248 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.322 -2.298 4.022 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.682 -2.869 3.905 1.00 0.00 C ATOM 1233 C VAL A 80 -1.846 -3.696 2.609 1.00 0.00 C ATOM 1234 O VAL A 80 -2.475 -4.753 2.625 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.742 -1.751 4.004 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.166 -2.286 3.815 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.688 -1.053 5.369 1.00 0.00 C ATOM 0 H VAL A 80 -0.283 -1.279 3.984 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.833 -3.557 4.737 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.506 -1.048 3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.877 -1.464 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.253 -2.749 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.382 -3.026 4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.446 -0.271 5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.877 -1.781 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.702 -0.610 5.513 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.281 -3.233 1.492 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.287 -4.003 0.246 1.00 0.00 C ATOM 1249 C LEU A 81 -0.539 -5.342 0.373 1.00 0.00 C ATOM 1250 O LEU A 81 -0.999 -6.363 -0.137 1.00 0.00 O ATOM 1251 CB LEU A 81 -0.624 -3.113 -0.827 1.00 0.00 C ATOM 1252 CG LEU A 81 -1.561 -2.425 -1.828 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -2.573 -3.385 -2.458 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -2.267 -1.240 -1.174 1.00 0.00 C ATOM 0 H LEU A 81 -0.814 -2.329 1.425 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.312 -4.262 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.044 -2.342 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.082 -3.725 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.936 -2.060 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.207 -2.839 -3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.043 -4.175 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.191 -3.826 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.927 -0.764 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.853 -1.590 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.525 -0.519 -0.831 1.00 0.00 H new ATOM 1266 N ALA A 82 0.602 -5.348 1.061 1.00 0.00 N ATOM 1267 CA ALA A 82 1.315 -6.601 1.339 1.00 0.00 C ATOM 1268 C ALA A 82 0.538 -7.563 2.254 1.00 0.00 C ATOM 1269 O ALA A 82 0.707 -8.779 2.159 1.00 0.00 O ATOM 1270 CB ALA A 82 2.655 -6.237 1.985 1.00 0.00 C ATOM 0 H ALA A 82 1.051 -4.511 1.434 1.00 0.00 H new ATOM 0 HA ALA A 82 1.447 -7.132 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.212 -7.148 2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.232 -5.615 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.476 -5.689 2.910 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.296 -7.038 3.151 1.00 0.00 N ATOM 1277 CA ASP A 83 -1.029 -7.905 4.094 1.00 0.00 C ATOM 1278 C ASP A 83 -2.244 -8.645 3.496 1.00 0.00 C ATOM 1279 O ASP A 83 -2.820 -9.531 4.128 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.418 -7.059 5.315 1.00 0.00 C ATOM 1281 CG ASP A 83 -1.951 -7.889 6.478 1.00 0.00 C ATOM 1282 OD1 ASP A 83 -1.140 -8.527 7.186 1.00 0.00 O ATOM 1283 OD2 ASP A 83 -3.184 -7.910 6.692 1.00 0.00 O ATOM 0 H ASP A 83 -0.484 -6.040 3.250 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.359 -8.716 4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.548 -6.494 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.175 -6.333 5.019 1.00 0.00 H new ATOM 1288 N SER A 84 -2.634 -8.284 2.282 1.00 0.00 N ATOM 1289 CA SER A 84 -3.837 -8.843 1.651 1.00 0.00 C ATOM 1290 C SER A 84 -3.562 -9.960 0.628 1.00 0.00 C ATOM 1291 O SER A 84 -4.311 -10.137 -0.334 1.00 0.00 O ATOM 1292 CB SER A 84 -4.530 -7.670 0.959 1.00 0.00 C ATOM 1293 OG SER A 84 -4.980 -6.716 1.911 1.00 0.00 O ATOM 0 H SER A 84 -2.137 -7.604 1.706 1.00 0.00 H new ATOM 0 HA SER A 84 -4.446 -9.316 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.841 -7.196 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.375 -8.034 0.375 1.00 0.00 H new ATOM 0 HG SER A 84 -4.247 -6.104 2.132 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.471 -10.691 0.815 1.00 0.00 N ATOM 1300 CA LEU A 85 -1.929 -11.544 -0.248 1.00 0.00 C ATOM 1301 C LEU A 85 -1.565 -12.935 0.287 1.00 0.00 C ATOM 1302 O LEU A 85 -1.308 -13.143 1.473 1.00 0.00 O ATOM 1303 CB LEU A 85 -0.657 -10.846 -0.782 1.00 0.00 C ATOM 1304 CG LEU A 85 -0.792 -10.050 -2.093 1.00 0.00 C ATOM 1305 CD1 LEU A 85 -2.029 -9.151 -2.166 1.00 0.00 C ATOM 1306 CD2 LEU A 85 0.450 -9.173 -2.273 1.00 0.00 C ATOM 0 H LEU A 85 -1.942 -10.714 1.687 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.673 -11.680 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.294 -10.167 -0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.111 -11.606 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.897 -10.792 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.043 -8.629 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.928 -9.760 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.998 -8.423 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.363 -8.605 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.534 -8.485 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.338 -9.804 -2.316 1.00 0.00 H new ATOM 1318 N LYS A 86 -1.471 -13.873 -0.653 1.00 0.00 N ATOM 1319 CA LYS A 86 -0.857 -15.180 -0.380 1.00 0.00 C ATOM 1320 C LYS A 86 0.543 -15.208 -1.038 1.00 0.00 C ATOM 1321 O LYS A 86 0.919 -14.249 -1.714 1.00 0.00 O ATOM 1322 CB LYS A 86 -1.815 -16.256 -0.920 1.00 0.00 C ATOM 1323 CG LYS A 86 -3.040 -16.412 -0.006 1.00 0.00 C ATOM 1324 CD LYS A 86 -3.854 -17.660 -0.352 1.00 0.00 C ATOM 1325 CE LYS A 86 -4.985 -17.868 0.658 1.00 0.00 C ATOM 1326 NZ LYS A 86 -5.649 -19.158 0.426 1.00 0.00 N ATOM 0 H LYS A 86 -1.809 -13.758 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.707 -15.370 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.139 -15.988 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.291 -17.209 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.713 -16.468 1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.673 -15.529 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.269 -17.562 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.203 -18.534 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.586 -17.834 1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.710 -17.058 0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.674 -19.051 0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.463 -19.474 -0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.280 -19.864 1.095 1.00 0.00 H new ATOM 1340 N PRO A 87 1.363 -16.256 -0.854 1.00 0.00 N ATOM 1341 CA PRO A 87 2.775 -16.235 -1.277 1.00 0.00 C ATOM 1342 C PRO A 87 3.102 -15.869 -2.740 1.00 0.00 C ATOM 1343 O PRO A 87 4.195 -15.362 -2.995 1.00 0.00 O ATOM 1344 CB PRO A 87 3.253 -17.642 -0.905 1.00 0.00 C ATOM 1345 CG PRO A 87 2.425 -17.996 0.330 1.00 0.00 C ATOM 1346 CD PRO A 87 1.070 -17.329 0.100 1.00 0.00 C ATOM 0 HA PRO A 87 3.289 -15.411 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.083 -18.350 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.321 -17.657 -0.688 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.320 -19.075 0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.897 -17.628 1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.341 -18.033 -0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.655 -16.936 1.028 1.00 0.00 H new ATOM 1354 N ASN A 88 2.189 -16.072 -3.695 1.00 0.00 N ATOM 1355 CA ASN A 88 2.383 -15.494 -5.039 1.00 0.00 C ATOM 1356 C ASN A 88 1.577 -14.195 -5.179 1.00 0.00 C ATOM 1357 O ASN A 88 0.783 -14.017 -6.103 1.00 0.00 O ATOM 1358 CB ASN A 88 2.089 -16.505 -6.163 1.00 0.00 C ATOM 1359 CG ASN A 88 0.767 -17.263 -6.024 1.00 0.00 C ATOM 1360 OD1 ASN A 88 0.665 -18.249 -5.295 1.00 0.00 O ATOM 1361 ND2 ASN A 88 -0.258 -16.821 -6.729 1.00 0.00 N ATOM 0 H ASN A 88 1.333 -16.613 -3.575 1.00 0.00 H new ATOM 0 HA ASN A 88 3.438 -15.243 -5.151 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.088 -15.976 -7.116 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.903 -17.229 -6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.158 -17.299 -6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.150 -16.002 -7.327 1.00 0.00 H new ATOM 1368 N GLY A 89 1.851 -13.249 -4.284 1.00 0.00 N ATOM 1369 CA GLY A 89 1.367 -11.879 -4.470 1.00 0.00 C ATOM 1370 C GLY A 89 2.187 -11.214 -5.561 1.00 0.00 C ATOM 1371 O GLY A 89 3.372 -11.504 -5.708 1.00 0.00 O ATOM 0 H GLY A 89 2.396 -13.399 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.312 -11.885 -4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.453 -11.319 -3.539 1.00 0.00 H new ATOM 1375 N SER A 90 1.578 -10.340 -6.349 1.00 0.00 N ATOM 1376 CA SER A 90 2.371 -9.667 -7.366 1.00 0.00 C ATOM 1377 C SER A 90 1.854 -8.238 -7.408 1.00 0.00 C ATOM 1378 O SER A 90 0.737 -7.913 -7.012 1.00 0.00 O ATOM 1379 CB SER A 90 2.225 -10.375 -8.721 1.00 0.00 C ATOM 1380 OG SER A 90 0.870 -10.376 -9.152 1.00 0.00 O ATOM 0 H SER A 90 0.590 -10.089 -6.311 1.00 0.00 H new ATOM 0 HA SER A 90 3.437 -9.685 -7.137 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.847 -9.876 -9.465 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.585 -11.401 -8.640 1.00 0.00 H new ATOM 0 HG SER A 90 0.330 -10.911 -8.533 1.00 0.00 H new ATOM 1386 N LEU A 91 2.714 -7.402 -7.936 1.00 0.00 N ATOM 1387 CA LEU A 91 2.506 -5.961 -7.889 1.00 0.00 C ATOM 1388 C LEU A 91 2.666 -5.513 -9.341 1.00 0.00 C ATOM 1389 O LEU A 91 3.708 -5.804 -9.920 1.00 0.00 O ATOM 1390 CB LEU A 91 3.676 -5.554 -6.970 1.00 0.00 C ATOM 1391 CG LEU A 91 3.708 -4.224 -6.231 1.00 0.00 C ATOM 1392 CD1 LEU A 91 4.262 -3.084 -7.078 1.00 0.00 C ATOM 1393 CD2 LEU A 91 2.409 -3.832 -5.529 1.00 0.00 C ATOM 0 H LEU A 91 3.572 -7.689 -8.408 1.00 0.00 H new ATOM 0 HA LEU A 91 1.562 -5.555 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.765 -6.334 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.580 -5.595 -7.578 1.00 0.00 H new ATOM 0 HG LEU A 91 4.415 -4.406 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.259 -2.163 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.283 -3.318 -7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.641 -2.954 -7.965 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.539 -2.870 -5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.607 -3.757 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.153 -4.589 -4.788 1.00 0.00 H new ATOM 1405 N ILE A 92 1.744 -4.745 -9.920 1.00 0.00 N ATOM 1406 CA ILE A 92 1.995 -4.147 -11.247 1.00 0.00 C ATOM 1407 C ILE A 92 1.905 -2.639 -11.161 1.00 0.00 C ATOM 1408 O ILE A 92 0.866 -2.026 -11.409 1.00 0.00 O ATOM 1409 CB ILE A 92 1.033 -4.693 -12.298 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.154 -6.214 -12.447 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.254 -4.025 -13.669 1.00 0.00 C ATOM 1412 CD1 ILE A 92 2.591 -6.606 -12.764 1.00 0.00 C ATOM 0 H ILE A 92 0.837 -4.521 -9.511 1.00 0.00 H new ATOM 0 HA ILE A 92 3.003 -4.421 -11.559 1.00 0.00 H new ATOM 0 HB ILE A 92 0.029 -4.456 -11.947 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.832 -6.702 -11.527 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.492 -6.561 -13.241 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.552 -4.438 -14.393 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.093 -2.951 -13.580 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.274 -4.213 -14.005 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.659 -7.689 -12.866 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.900 -6.133 -13.696 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.245 -6.276 -11.956 1.00 0.00 H new ATOM 1424 N GLY A 93 2.991 -2.070 -10.680 1.00 0.00 N ATOM 1425 CA GLY A 93 2.945 -0.638 -10.382 1.00 0.00 C ATOM 1426 C GLY A 93 4.166 0.238 -10.612 1.00 0.00 C ATOM 1427 O GLY A 93 4.236 1.045 -11.541 1.00 0.00 O ATOM 0 H GLY A 93 3.877 -2.539 -10.492 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.130 -0.214 -10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.670 -0.537 -9.332 1.00 0.00 H new ATOM 1431 N LEU A 94 5.034 0.206 -9.613 1.00 0.00 N ATOM 1432 CA LEU A 94 5.595 1.454 -9.077 1.00 0.00 C ATOM 1433 C LEU A 94 7.116 1.513 -9.294 1.00 0.00 C ATOM 1434 O LEU A 94 7.808 0.500 -9.386 1.00 0.00 O ATOM 1435 CB LEU A 94 5.367 1.503 -7.568 1.00 0.00 C ATOM 1436 CG LEU A 94 3.942 1.490 -6.994 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.809 0.264 -6.098 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.724 2.685 -6.083 1.00 0.00 C ATOM 0 H LEU A 94 5.365 -0.646 -9.160 1.00 0.00 H new ATOM 0 HA LEU A 94 5.107 2.283 -9.590 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.896 0.654 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.855 2.405 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 94 3.233 1.499 -7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.805 0.229 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.987 -0.637 -6.685 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.540 0.322 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.709 2.659 -5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.437 2.650 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.869 3.605 -6.649 1.00 0.00 H new ATOM 1450 N SER A 95 7.593 2.734 -9.504 1.00 0.00 N ATOM 1451 CA SER A 95 8.872 2.943 -10.210 1.00 0.00 C ATOM 1452 C SER A 95 10.062 3.277 -9.276 1.00 0.00 C ATOM 1453 O SER A 95 10.555 2.365 -8.612 1.00 0.00 O ATOM 1454 CB SER A 95 8.639 3.919 -11.376 1.00 0.00 C ATOM 1455 OG SER A 95 7.389 3.675 -12.009 1.00 0.00 O ATOM 0 H SER A 95 7.128 3.591 -9.204 1.00 0.00 H new ATOM 0 HA SER A 95 9.205 1.999 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.669 4.944 -11.007 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.444 3.819 -12.104 1.00 0.00 H new ATOM 0 HG SER A 95 7.266 4.310 -12.745 1.00 0.00 H new ATOM 1461 N ASP A 96 10.609 4.504 -9.253 1.00 0.00 N ATOM 1462 CA ASP A 96 11.998 4.671 -8.778 1.00 0.00 C ATOM 1463 C ASP A 96 12.198 4.649 -7.258 1.00 0.00 C ATOM 1464 O ASP A 96 12.928 3.793 -6.759 1.00 0.00 O ATOM 1465 CB ASP A 96 12.576 5.942 -9.421 1.00 0.00 C ATOM 1466 CG ASP A 96 14.081 6.078 -9.208 1.00 0.00 C ATOM 1467 OD1 ASP A 96 14.856 5.436 -9.952 1.00 0.00 O ATOM 1468 OD2 ASP A 96 14.496 6.829 -8.300 1.00 0.00 O ATOM 0 H ASP A 96 10.139 5.361 -9.543 1.00 0.00 H new ATOM 0 HA ASP A 96 12.547 3.785 -9.097 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.364 5.932 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.074 6.815 -9.005 1.00 0.00 H new ATOM 1473 N ILE A 97 11.585 5.561 -6.508 1.00 0.00 N ATOM 1474 CA ILE A 97 11.681 5.482 -5.021 1.00 0.00 C ATOM 1475 C ILE A 97 11.077 4.163 -4.480 1.00 0.00 C ATOM 1476 O ILE A 97 11.422 3.621 -3.421 1.00 0.00 O ATOM 1477 CB ILE A 97 10.961 6.662 -4.329 1.00 0.00 C ATOM 1478 CG1 ILE A 97 11.077 7.968 -5.131 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.493 6.834 -2.902 1.00 0.00 C ATOM 1480 CD1 ILE A 97 10.399 9.171 -4.469 1.00 0.00 C ATOM 0 H ILE A 97 11.034 6.340 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 97 12.746 5.523 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 97 9.898 6.424 -4.283 1.00 0.00 H new ATOM 0 HG12 ILE A 97 12.132 8.197 -5.282 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.640 7.816 -6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.981 7.667 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 97 11.313 5.921 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.564 7.036 -2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.527 10.052 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.336 8.966 -4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.851 9.353 -3.494 1.00 0.00 H new ATOM 1492 N TYR A 98 10.143 3.652 -5.266 1.00 0.00 N ATOM 1493 CA TYR A 98 9.324 2.525 -4.851 1.00 0.00 C ATOM 1494 C TYR A 98 10.142 1.208 -4.953 1.00 0.00 C ATOM 1495 O TYR A 98 9.844 0.237 -4.266 1.00 0.00 O ATOM 1496 CB TYR A 98 7.978 2.585 -5.598 1.00 0.00 C ATOM 1497 CG TYR A 98 7.396 3.996 -5.672 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.711 4.517 -4.615 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.635 4.773 -6.763 1.00 0.00 C ATOM 1500 CE1 TYR A 98 6.242 5.789 -4.667 1.00 0.00 C ATOM 1501 CE2 TYR A 98 7.169 6.044 -6.815 1.00 0.00 C ATOM 1502 CZ TYR A 98 6.486 6.560 -5.760 1.00 0.00 C ATOM 1503 OH TYR A 98 6.089 7.871 -5.786 1.00 0.00 O ATOM 0 H TYR A 98 9.933 4.003 -6.200 1.00 0.00 H new ATOM 0 HA TYR A 98 9.051 2.567 -3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.113 2.201 -6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.264 1.929 -5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.541 3.916 -3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.200 4.374 -7.593 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.675 6.189 -3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 98 7.340 6.647 -7.695 1.00 0.00 H new ATOM 0 HH TYR A 98 6.344 8.273 -6.642 1.00 0.00 H new ATOM 1513 N LYS A 99 11.231 1.192 -5.734 1.00 0.00 N ATOM 1514 CA LYS A 99 12.213 0.089 -5.719 1.00 0.00 C ATOM 1515 C LYS A 99 12.767 -0.205 -4.312 1.00 0.00 C ATOM 1516 O LYS A 99 12.681 -1.334 -3.832 1.00 0.00 O ATOM 1517 CB LYS A 99 13.344 0.492 -6.679 1.00 0.00 C ATOM 1518 CG LYS A 99 14.449 -0.564 -6.765 1.00 0.00 C ATOM 1519 CD LYS A 99 15.587 -0.114 -7.684 1.00 0.00 C ATOM 1520 CE LYS A 99 16.681 -1.180 -7.765 1.00 0.00 C ATOM 1521 NZ LYS A 99 17.764 -0.731 -8.656 1.00 0.00 N ATOM 0 H LYS A 99 11.459 1.937 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 99 11.727 -0.835 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.929 0.660 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.775 1.437 -6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.842 -0.762 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.031 -1.500 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.196 0.087 -8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.011 0.819 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.078 -1.380 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.261 -2.115 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.501 -1.463 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.382 -0.562 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.175 0.150 -8.287 1.00 0.00 H new ATOM 1535 N VAL A 100 13.341 0.800 -3.648 1.00 0.00 N ATOM 1536 CA VAL A 100 13.843 0.606 -2.274 1.00 0.00 C ATOM 1537 C VAL A 100 12.692 0.305 -1.294 1.00 0.00 C ATOM 1538 O VAL A 100 12.846 -0.501 -0.372 1.00 0.00 O ATOM 1539 CB VAL A 100 14.656 1.843 -1.833 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.222 1.675 -0.415 1.00 0.00 C ATOM 1541 CG2 VAL A 100 15.831 2.114 -2.782 1.00 0.00 C ATOM 0 H VAL A 100 13.471 1.739 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 100 14.503 -0.262 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 100 13.961 2.682 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.787 2.566 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.402 1.535 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 100 15.878 0.805 -0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.380 2.991 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.497 1.251 -2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.452 2.292 -3.788 1.00 0.00 H new ATOM 1551 N ASP A 101 11.524 0.916 -1.508 1.00 0.00 N ATOM 1552 CA ASP A 101 10.340 0.532 -0.736 1.00 0.00 C ATOM 1553 C ASP A 101 9.981 -0.954 -0.899 1.00 0.00 C ATOM 1554 O ASP A 101 9.689 -1.627 0.085 1.00 0.00 O ATOM 1555 CB ASP A 101 9.174 1.365 -1.261 1.00 0.00 C ATOM 1556 CG ASP A 101 8.750 2.483 -0.319 1.00 0.00 C ATOM 1557 OD1 ASP A 101 7.940 2.221 0.596 1.00 0.00 O ATOM 1558 OD2 ASP A 101 9.227 3.629 -0.489 1.00 0.00 O ATOM 0 H ASP A 101 11.374 1.659 -2.190 1.00 0.00 H new ATOM 0 HA ASP A 101 10.545 0.703 0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.451 1.797 -2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.322 0.709 -1.440 1.00 0.00 H new ATOM 1563 N ALA A 102 9.993 -1.465 -2.133 1.00 0.00 N ATOM 1564 CA ALA A 102 9.724 -2.887 -2.376 1.00 0.00 C ATOM 1565 C ALA A 102 10.698 -3.783 -1.608 1.00 0.00 C ATOM 1566 O ALA A 102 10.303 -4.768 -0.990 1.00 0.00 O ATOM 1567 CB ALA A 102 9.934 -3.130 -3.868 1.00 0.00 C ATOM 0 H ALA A 102 10.184 -0.921 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 102 8.712 -3.124 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.744 -4.179 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.247 -2.505 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.961 -2.880 -4.136 1.00 0.00 H new ATOM 1573 N LEU A 103 11.976 -3.409 -1.637 1.00 0.00 N ATOM 1574 CA LEU A 103 13.011 -4.166 -0.912 1.00 0.00 C ATOM 1575 C LEU A 103 12.690 -4.330 0.578 1.00 0.00 C ATOM 1576 O LEU A 103 12.781 -5.422 1.140 1.00 0.00 O ATOM 1577 CB LEU A 103 14.344 -3.406 -1.043 1.00 0.00 C ATOM 1578 CG LEU A 103 15.585 -4.288 -0.835 1.00 0.00 C ATOM 1579 CD1 LEU A 103 15.760 -5.295 -1.977 1.00 0.00 C ATOM 1580 CD2 LEU A 103 16.832 -3.404 -0.747 1.00 0.00 C ATOM 0 H LEU A 103 12.323 -2.597 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 103 13.062 -5.163 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.396 -2.950 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.361 -2.594 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 103 15.449 -4.845 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.648 -5.901 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 103 14.884 -5.941 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 103 15.873 -4.760 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 103 17.712 -4.030 -0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 103 16.941 -2.836 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 103 16.732 -2.716 0.092 1.00 0.00 H new ATOM 1592 N ILE A 104 12.359 -3.214 1.214 1.00 0.00 N ATOM 1593 CA ILE A 104 12.239 -3.181 2.680 1.00 0.00 C ATOM 1594 C ILE A 104 10.902 -3.740 3.195 1.00 0.00 C ATOM 1595 O ILE A 104 10.844 -4.418 4.222 1.00 0.00 O ATOM 1596 CB ILE A 104 12.555 -1.731 3.068 1.00 0.00 C ATOM 1597 CG1 ILE A 104 13.207 -1.677 4.460 1.00 0.00 C ATOM 1598 CG2 ILE A 104 11.348 -0.783 2.986 1.00 0.00 C ATOM 1599 CD1 ILE A 104 13.803 -0.306 4.785 1.00 0.00 C ATOM 0 H ILE A 104 12.169 -2.325 0.751 1.00 0.00 H new ATOM 0 HA ILE A 104 12.940 -3.855 3.172 1.00 0.00 H new ATOM 0 HB ILE A 104 13.261 -1.366 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.463 -1.932 5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.991 -2.432 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 104 11.654 0.222 3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.967 -0.766 1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.565 -1.132 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.249 -0.329 5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.569 -0.059 4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.017 0.448 4.757 1.00 0.00 H new ATOM 1611 N ASN A 105 9.841 -3.505 2.432 1.00 0.00 N ATOM 1612 CA ASN A 105 8.529 -4.068 2.712 1.00 0.00 C ATOM 1613 C ASN A 105 8.421 -5.572 2.443 1.00 0.00 C ATOM 1614 O ASN A 105 7.475 -6.198 2.924 1.00 0.00 O ATOM 1615 CB ASN A 105 7.609 -3.277 1.767 1.00 0.00 C ATOM 1616 CG ASN A 105 7.125 -1.958 2.366 1.00 0.00 C ATOM 1617 OD1 ASN A 105 7.677 -0.890 2.106 1.00 0.00 O ATOM 1618 ND2 ASN A 105 6.083 -2.014 3.177 1.00 0.00 N ATOM 0 H ASN A 105 9.868 -2.916 1.599 1.00 0.00 H new ATOM 0 HA ASN A 105 8.278 -3.981 3.769 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.141 -3.073 0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.746 -3.892 1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.721 -1.160 3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.641 -2.911 3.378 1.00 0.00 H new ATOM 1625 N GLY A 106 9.351 -6.174 1.704 1.00 0.00 N ATOM 1626 CA GLY A 106 9.286 -7.630 1.508 1.00 0.00 C ATOM 1627 C GLY A 106 8.768 -8.026 0.125 1.00 0.00 C ATOM 1628 O GLY A 106 8.190 -9.100 -0.041 1.00 0.00 O ATOM 0 H GLY A 106 10.131 -5.704 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.279 -8.055 1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.639 -8.065 2.270 1.00 0.00 H new ATOM 1632 N PHE A 107 9.031 -7.190 -0.873 1.00 0.00 N ATOM 1633 CA PHE A 107 8.798 -7.588 -2.265 1.00 0.00 C ATOM 1634 C PHE A 107 10.177 -7.840 -2.905 1.00 0.00 C ATOM 1635 O PHE A 107 11.203 -7.310 -2.472 1.00 0.00 O ATOM 1636 CB PHE A 107 8.051 -6.544 -3.101 1.00 0.00 C ATOM 1637 CG PHE A 107 6.676 -6.112 -2.609 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.557 -5.236 -1.575 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.556 -6.528 -3.267 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.330 -4.813 -1.172 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.330 -6.101 -2.866 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.216 -5.249 -1.814 1.00 0.00 C ATOM 0 H PHE A 107 9.400 -6.247 -0.753 1.00 0.00 H new ATOM 0 HA PHE A 107 8.163 -8.474 -2.252 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.679 -5.656 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.940 -6.937 -4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.442 -4.875 -1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.644 -7.199 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.241 -4.130 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.445 -6.439 -3.384 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.240 -4.919 -1.489 1.00 0.00 H new ATOM 1652 N GLU A 108 10.183 -8.596 -3.995 1.00 0.00 N ATOM 1653 CA GLU A 108 11.402 -8.828 -4.772 1.00 0.00 C ATOM 1654 C GLU A 108 11.117 -8.350 -6.200 1.00 0.00 C ATOM 1655 O GLU A 108 10.326 -8.943 -6.933 1.00 0.00 O ATOM 1656 CB GLU A 108 11.740 -10.325 -4.724 1.00 0.00 C ATOM 1657 CG GLU A 108 13.050 -10.658 -5.445 1.00 0.00 C ATOM 1658 CD GLU A 108 13.344 -12.151 -5.379 1.00 0.00 C ATOM 1659 OE1 GLU A 108 12.877 -12.898 -6.266 1.00 0.00 O ATOM 1660 OE2 GLU A 108 14.046 -12.587 -4.439 1.00 0.00 O ATOM 0 H GLU A 108 9.355 -9.063 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 108 12.260 -8.286 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 108 11.811 -10.644 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.926 -10.892 -5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.987 -10.342 -6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.870 -10.102 -4.992 1.00 0.00 H new ATOM 1667 N ILE A 109 11.759 -7.251 -6.584 1.00 0.00 N ATOM 1668 CA ILE A 109 11.438 -6.580 -7.845 1.00 0.00 C ATOM 1669 C ILE A 109 11.987 -7.345 -9.055 1.00 0.00 C ATOM 1670 O ILE A 109 13.006 -8.039 -8.994 1.00 0.00 O ATOM 1671 CB ILE A 109 11.988 -5.152 -7.676 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.592 -4.122 -8.732 1.00 0.00 C ATOM 1673 CG2 ILE A 109 13.499 -5.169 -7.643 1.00 0.00 C ATOM 1674 CD1 ILE A 109 12.138 -2.746 -8.374 1.00 0.00 C ATOM 0 H ILE A 109 12.502 -6.806 -6.045 1.00 0.00 H new ATOM 0 HA ILE A 109 10.369 -6.546 -8.053 1.00 0.00 H new ATOM 0 HB ILE A 109 11.528 -4.835 -6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.973 -4.428 -9.706 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.506 -4.078 -8.814 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.872 -4.152 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.838 -5.781 -6.807 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.879 -5.587 -8.575 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.844 -2.028 -9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 109 11.735 -2.434 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 109 13.226 -2.790 -8.316 1.00 0.00 H new ATOM 1686 N ILE A 110 11.256 -7.231 -10.154 1.00 0.00 N ATOM 1687 CA ILE A 110 11.567 -8.007 -11.361 1.00 0.00 C ATOM 1688 C ILE A 110 11.133 -7.186 -12.574 1.00 0.00 C ATOM 1689 O ILE A 110 10.005 -6.691 -12.672 1.00 0.00 O ATOM 1690 CB ILE A 110 10.944 -9.417 -11.292 1.00 0.00 C ATOM 1691 CG1 ILE A 110 11.248 -10.250 -12.548 1.00 0.00 C ATOM 1692 CG2 ILE A 110 9.431 -9.386 -11.021 1.00 0.00 C ATOM 1693 CD1 ILE A 110 10.988 -11.745 -12.338 1.00 0.00 C ATOM 0 H ILE A 110 10.448 -6.615 -10.242 1.00 0.00 H new ATOM 0 HA ILE A 110 12.638 -8.188 -11.448 1.00 0.00 H new ATOM 0 HB ILE A 110 11.419 -9.904 -10.441 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.636 -9.891 -13.375 1.00 0.00 H new ATOM 0 HG13 ILE A 110 12.289 -10.102 -12.835 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.047 -10.405 -10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 110 9.242 -8.891 -10.068 1.00 0.00 H new ATOM 0 HG23 ILE A 110 8.929 -8.839 -11.819 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.219 -12.287 -13.255 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.620 -12.114 -11.530 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.941 -11.899 -12.079 1.00 0.00 H new ATOM 1705 N ASN A 111 12.087 -7.020 -13.481 1.00 0.00 N ATOM 1706 CA ASN A 111 11.910 -6.080 -14.594 1.00 0.00 C ATOM 1707 C ASN A 111 11.742 -6.812 -15.928 1.00 0.00 C ATOM 1708 O ASN A 111 12.682 -7.296 -16.559 1.00 0.00 O ATOM 1709 CB ASN A 111 13.023 -5.029 -14.635 1.00 0.00 C ATOM 1710 CG ASN A 111 14.452 -5.577 -14.688 1.00 0.00 C ATOM 1711 OD1 ASN A 111 14.983 -5.894 -15.752 1.00 0.00 O ATOM 1712 ND2 ASN A 111 15.099 -5.681 -13.540 1.00 0.00 N ATOM 0 H ASN A 111 12.980 -7.513 -13.475 1.00 0.00 H new ATOM 0 HA ASN A 111 10.982 -5.536 -14.418 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.865 -4.393 -15.506 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.930 -4.393 -13.755 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.057 -6.030 -13.525 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.640 -5.413 -12.670 1.00 0.00 H new ATOM 1719 N GLU A 112 10.476 -6.920 -16.294 1.00 0.00 N ATOM 1720 CA GLU A 112 10.052 -7.756 -17.429 1.00 0.00 C ATOM 1721 C GLU A 112 9.060 -6.921 -18.263 1.00 0.00 C ATOM 1722 O GLU A 112 8.721 -5.802 -17.867 1.00 0.00 O ATOM 1723 CB GLU A 112 9.390 -9.037 -16.891 1.00 0.00 C ATOM 1724 CG GLU A 112 10.412 -10.029 -16.328 1.00 0.00 C ATOM 1725 CD GLU A 112 9.735 -11.304 -15.846 1.00 0.00 C ATOM 1726 OE1 GLU A 112 8.923 -11.239 -14.897 1.00 0.00 O ATOM 1727 OE2 GLU A 112 10.012 -12.384 -16.416 1.00 0.00 O ATOM 0 H GLU A 112 9.710 -6.438 -15.823 1.00 0.00 H new ATOM 0 HA GLU A 112 10.896 -8.054 -18.052 1.00 0.00 H new ATOM 0 HB2 GLU A 112 8.675 -8.774 -16.111 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.826 -9.515 -17.692 1.00 0.00 H new ATOM 0 HG2 GLU A 112 11.147 -10.272 -17.095 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.954 -9.568 -15.502 1.00 0.00 H new ATOM 1734 N PRO A 113 8.520 -7.412 -19.391 1.00 0.00 N ATOM 1735 CA PRO A 113 7.533 -6.637 -20.168 1.00 0.00 C ATOM 1736 C PRO A 113 6.260 -6.133 -19.457 1.00 0.00 C ATOM 1737 O PRO A 113 5.524 -5.304 -19.992 1.00 0.00 O ATOM 1738 CB PRO A 113 7.242 -7.571 -21.339 1.00 0.00 C ATOM 1739 CG PRO A 113 8.567 -8.303 -21.559 1.00 0.00 C ATOM 1740 CD PRO A 113 9.140 -8.509 -20.154 1.00 0.00 C ATOM 0 HA PRO A 113 7.949 -5.665 -20.432 1.00 0.00 H new ATOM 0 HB2 PRO A 113 6.435 -8.266 -21.106 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.939 -7.017 -22.227 1.00 0.00 H new ATOM 0 HG2 PRO A 113 8.413 -9.255 -22.067 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.244 -7.717 -22.180 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.876 -9.485 -19.748 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.228 -8.444 -20.146 1.00 0.00 H new ATOM 1748 N ASP A 114 6.052 -6.569 -18.221 1.00 0.00 N ATOM 1749 CA ASP A 114 5.200 -5.823 -17.282 1.00 0.00 C ATOM 1750 C ASP A 114 6.056 -5.665 -16.019 1.00 0.00 C ATOM 1751 O ASP A 114 6.462 -6.648 -15.392 1.00 0.00 O ATOM 1752 CB ASP A 114 3.903 -6.553 -16.923 1.00 0.00 C ATOM 1753 CG ASP A 114 3.109 -7.042 -18.132 1.00 0.00 C ATOM 1754 OD1 ASP A 114 2.417 -6.221 -18.771 1.00 0.00 O ATOM 1755 OD2 ASP A 114 3.172 -8.251 -18.446 1.00 0.00 O ATOM 0 H ASP A 114 6.454 -7.426 -17.841 1.00 0.00 H new ATOM 0 HA ASP A 114 4.889 -4.880 -17.731 1.00 0.00 H new ATOM 0 HB2 ASP A 114 4.143 -7.407 -16.289 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.274 -5.886 -16.334 1.00 0.00 H new ATOM 1760 N TYR A 115 6.398 -4.429 -15.690 1.00 0.00 N ATOM 1761 CA TYR A 115 7.390 -4.178 -14.637 1.00 0.00 C ATOM 1762 C TYR A 115 6.713 -4.171 -13.262 1.00 0.00 C ATOM 1763 O TYR A 115 5.846 -3.328 -13.001 1.00 0.00 O ATOM 1764 CB TYR A 115 8.075 -2.842 -14.939 1.00 0.00 C ATOM 1765 CG TYR A 115 8.798 -2.249 -13.741 1.00 0.00 C ATOM 1766 CD1 TYR A 115 9.785 -2.923 -13.086 1.00 0.00 C ATOM 1767 CD2 TYR A 115 8.353 -1.064 -13.252 1.00 0.00 C ATOM 1768 CE1 TYR A 115 10.386 -2.362 -12.003 1.00 0.00 C ATOM 1769 CE2 TYR A 115 8.956 -0.500 -12.177 1.00 0.00 C ATOM 1770 CZ TYR A 115 9.990 -1.135 -11.567 1.00 0.00 C ATOM 1771 OH TYR A 115 10.579 -0.562 -10.472 1.00 0.00 O ATOM 0 H TYR A 115 6.014 -3.590 -16.125 1.00 0.00 H new ATOM 0 HA TYR A 115 8.140 -4.968 -14.618 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.788 -2.984 -15.751 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.328 -2.131 -15.292 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.089 -3.902 -13.427 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.516 -0.569 -13.721 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.176 -2.889 -11.490 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.614 0.455 -11.805 1.00 0.00 H new ATOM 0 HH TYR A 115 9.894 -0.129 -9.921 1.00 0.00 H new ATOM 1781 N CYS A 116 7.016 -5.189 -12.451 1.00 0.00 N ATOM 1782 CA CYS A 116 6.519 -5.234 -11.072 1.00 0.00 C ATOM 1783 C CYS A 116 7.480 -5.907 -10.096 1.00 0.00 C ATOM 1784 O CYS A 116 8.691 -6.018 -10.278 1.00 0.00 O ATOM 1785 CB CYS A 116 5.164 -5.942 -11.051 1.00 0.00 C ATOM 1786 SG CYS A 116 5.317 -7.714 -11.391 1.00 0.00 S ATOM 0 H CYS A 116 7.596 -5.984 -12.720 1.00 0.00 H new ATOM 0 HA CYS A 116 6.422 -4.203 -10.733 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.696 -5.799 -10.077 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.506 -5.487 -11.791 1.00 0.00 H new ATOM 0 HG CYS A 116 4.225 -8.321 -11.031 1.00 0.00 H new ATOM 1792 N TRP A 117 6.818 -6.332 -9.022 1.00 0.00 N ATOM 1793 CA TRP A 117 7.440 -6.819 -7.795 1.00 0.00 C ATOM 1794 C TRP A 117 6.612 -8.057 -7.418 1.00 0.00 C ATOM 1795 O TRP A 117 5.402 -8.103 -7.636 1.00 0.00 O ATOM 1796 CB TRP A 117 7.288 -5.794 -6.649 1.00 0.00 C ATOM 1797 CG TRP A 117 7.675 -4.358 -6.931 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.362 -3.858 -8.029 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.410 -3.274 -6.145 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.524 -2.485 -7.959 1.00 0.00 N ATOM 1801 CE2 TRP A 117 7.934 -2.156 -6.749 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.792 -3.198 -4.937 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 7.955 -0.970 -6.083 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.722 -1.994 -4.322 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.351 -0.908 -4.855 1.00 0.00 C ATOM 0 H TRP A 117 5.799 -6.347 -8.982 1.00 0.00 H new ATOM 0 HA TRP A 117 8.503 -7.010 -7.941 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.247 -5.803 -6.327 1.00 0.00 H new ATOM 0 HB3 TRP A 117 7.885 -6.143 -5.806 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.727 -4.468 -8.842 1.00 0.00 H new ATOM 0 HE1 TRP A 117 8.970 -1.865 -8.635 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.366 -4.078 -4.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.434 -0.102 -6.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.164 -1.893 -3.403 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.373 0.018 -4.299 1.00 0.00 H new ATOM 1816 N ILE A 118 7.223 -9.029 -6.771 1.00 0.00 N ATOM 1817 CA ILE A 118 6.435 -10.071 -6.085 1.00 0.00 C ATOM 1818 C ILE A 118 6.648 -9.906 -4.577 1.00 0.00 C ATOM 1819 O ILE A 118 7.768 -9.700 -4.131 1.00 0.00 O ATOM 1820 CB ILE A 118 6.942 -11.463 -6.511 1.00 0.00 C ATOM 1821 CG1 ILE A 118 6.649 -11.880 -7.968 1.00 0.00 C ATOM 1822 CG2 ILE A 118 6.435 -12.553 -5.561 1.00 0.00 C ATOM 1823 CD1 ILE A 118 5.443 -12.820 -8.169 1.00 0.00 C ATOM 0 H ILE A 118 8.235 -9.132 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 118 5.380 -9.977 -6.341 1.00 0.00 H new ATOM 0 HB ILE A 118 8.026 -11.363 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.485 -10.978 -8.558 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.536 -12.367 -8.372 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.809 -13.523 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 118 6.789 -12.349 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 118 5.345 -12.564 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.331 -13.047 -9.229 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.606 -13.745 -7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 118 4.538 -12.334 -7.804 1.00 0.00 H new ATOM 1835 N LYS A 119 5.625 -10.159 -3.767 1.00 0.00 N ATOM 1836 CA LYS A 119 5.850 -10.275 -2.315 1.00 0.00 C ATOM 1837 C LYS A 119 6.051 -11.749 -1.934 1.00 0.00 C ATOM 1838 O LYS A 119 5.137 -12.568 -2.030 1.00 0.00 O ATOM 1839 CB LYS A 119 4.685 -9.666 -1.536 1.00 0.00 C ATOM 1840 CG LYS A 119 4.965 -9.582 -0.027 1.00 0.00 C ATOM 1841 CD LYS A 119 3.715 -9.812 0.828 1.00 0.00 C ATOM 1842 CE LYS A 119 3.278 -11.282 0.805 1.00 0.00 C ATOM 1843 NZ LYS A 119 2.141 -11.497 1.714 1.00 0.00 N ATOM 0 H LYS A 119 4.659 -10.286 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 119 6.751 -9.720 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.478 -8.667 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.789 -10.263 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 119 5.721 -10.321 0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 119 5.382 -8.602 0.205 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.915 -9.507 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.902 -9.184 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.999 -11.569 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.112 -11.920 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.478 -12.175 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.487 -11.874 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.653 -10.594 1.879 1.00 0.00 H new ATOM 1857 N MET A 120 7.280 -12.090 -1.553 1.00 0.00 N ATOM 1858 CA MET A 120 7.648 -13.501 -1.368 1.00 0.00 C ATOM 1859 C MET A 120 7.366 -13.918 0.081 1.00 0.00 C ATOM 1860 O MET A 120 7.387 -13.100 1.003 1.00 0.00 O ATOM 1861 CB MET A 120 9.144 -13.685 -1.666 1.00 0.00 C ATOM 1862 CG MET A 120 9.501 -13.477 -3.142 1.00 0.00 C ATOM 1863 SD MET A 120 8.698 -14.741 -4.144 1.00 0.00 S ATOM 1864 CE MET A 120 9.550 -14.465 -5.707 1.00 0.00 C ATOM 0 H MET A 120 8.031 -11.425 -1.368 1.00 0.00 H new ATOM 0 HA MET A 120 7.061 -14.119 -2.048 1.00 0.00 H new ATOM 0 HB2 MET A 120 9.717 -12.984 -1.059 1.00 0.00 H new ATOM 0 HB3 MET A 120 9.446 -14.688 -1.365 1.00 0.00 H new ATOM 0 HG2 MET A 120 9.184 -12.486 -3.467 1.00 0.00 H new ATOM 0 HG3 MET A 120 10.582 -13.526 -3.275 1.00 0.00 H new ATOM 0 HE1 MET A 120 9.177 -15.166 -6.454 1.00 0.00 H new ATOM 0 HE2 MET A 120 9.369 -13.445 -6.045 1.00 0.00 H new ATOM 0 HE3 MET A 120 10.621 -14.617 -5.570 1.00 0.00 H new TER 1874 MET A 120