USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 898 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 90 SER OG : rot 180:sc= 0.0628 USER MOD Set 1.2: A 116 CYS SG : rot 139:sc= -8.54! USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0566 USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0459) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.578 USER MOD Single : A 12 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.9!) USER MOD Single : A 16 THR OG1 : rot -109:sc= 0.241 USER MOD Single : A 17 THR OG1 : rot -32:sc= 0.593 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0862 K(o=-0.086,f=-0.63) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.614) USER MOD Single : A 28 GLN :FLIP amide:sc=-0.000882 F(o=-1.7!,f=-0.00088) USER MOD Single : A 31 SER OG : rot -80:sc= 0.583 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+ -174:sc= 0 (180deg=-0.0478) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,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 X(o=0,f=-0.13) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 160:sc= 0.28 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-4.5!) USER MOD Single : A 62 TYR OH : rot -154:sc= -0.687 USER MOD Single : A 64 THR OG1 : rot 124:sc= -0.527 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 180:sc= 0 USER MOD Single : A 84 SER OG : rot 68:sc= 0.388 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= -0.0253 (180deg=-0.0253) USER MOD Single : A 105 ASN :FLIP amide:sc= 0.628 F(o=0,f=0.63) USER MOD Single : A 111 ASN : amide:sc=-0.00482 X(o=-0.0048,f=-0.13) USER MOD Single : A 115 TYR OH : rot 180:sc= -2.53! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -131:sc= 0 (180deg=-0.0667) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 4 -7.710 -19.180 -13.156 1.00 0.00 N ATOM 2 CA TYR A 4 -8.372 -17.907 -13.465 1.00 0.00 C ATOM 3 C TYR A 4 -8.362 -17.057 -12.197 1.00 0.00 C ATOM 4 O TYR A 4 -8.845 -17.464 -11.139 1.00 0.00 O ATOM 5 CB TYR A 4 -9.798 -18.154 -13.967 1.00 0.00 C ATOM 6 CG TYR A 4 -10.326 -16.996 -14.797 1.00 0.00 C ATOM 7 CD1 TYR A 4 -10.770 -15.860 -14.196 1.00 0.00 C ATOM 8 CD2 TYR A 4 -10.331 -17.084 -16.155 1.00 0.00 C ATOM 9 CE1 TYR A 4 -11.204 -14.817 -14.948 1.00 0.00 C ATOM 10 CE2 TYR A 4 -10.768 -16.042 -16.907 1.00 0.00 C ATOM 11 CZ TYR A 4 -11.203 -14.906 -16.303 1.00 0.00 C ATOM 12 OH TYR A 4 -11.620 -13.848 -17.065 1.00 0.00 O ATOM 0 HA TYR A 4 -7.844 -17.381 -14.261 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.818 -19.065 -14.565 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.458 -18.318 -13.115 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.777 -15.788 -13.118 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.986 -17.987 -16.636 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.551 -13.914 -14.468 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.770 -16.116 -17.984 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.553 -14.082 -18.014 1.00 0.00 H new ATOM 22 N LYS A 5 -7.736 -15.892 -12.292 1.00 0.00 N ATOM 23 CA LYS A 5 -7.284 -15.201 -11.091 1.00 0.00 C ATOM 24 C LYS A 5 -8.269 -14.131 -10.612 1.00 0.00 C ATOM 25 O LYS A 5 -8.855 -13.372 -11.384 1.00 0.00 O ATOM 26 CB LYS A 5 -5.935 -14.563 -11.435 1.00 0.00 C ATOM 27 CG LYS A 5 -4.829 -15.591 -11.707 1.00 0.00 C ATOM 28 CD LYS A 5 -3.475 -14.908 -11.928 1.00 0.00 C ATOM 29 CE LYS A 5 -2.345 -15.912 -12.179 1.00 0.00 C ATOM 30 NZ LYS A 5 -2.528 -16.619 -13.458 1.00 0.00 N ATOM 0 H LYS A 5 -7.532 -15.413 -13.169 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.203 -15.915 -10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.055 -13.928 -12.313 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.627 -13.917 -10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.757 -16.282 -10.867 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.088 -16.183 -12.585 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.549 -14.229 -12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.231 -14.302 -11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.388 -15.391 -12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.311 -16.635 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.697 -17.216 -13.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.378 -17.216 -13.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.638 -15.926 -14.225 1.00 0.00 H new ATOM 44 N THR A 6 -8.374 -14.062 -9.293 1.00 0.00 N ATOM 45 CA THR A 6 -9.080 -12.965 -8.611 1.00 0.00 C ATOM 46 C THR A 6 -8.029 -11.957 -8.152 1.00 0.00 C ATOM 47 O THR A 6 -7.106 -12.297 -7.407 1.00 0.00 O ATOM 48 CB THR A 6 -9.888 -13.456 -7.399 1.00 0.00 C ATOM 49 OG1 THR A 6 -10.238 -12.358 -6.566 1.00 0.00 O ATOM 50 CG2 THR A 6 -9.125 -14.476 -6.562 1.00 0.00 C ATOM 0 H THR A 6 -7.978 -14.757 -8.660 1.00 0.00 H new ATOM 0 HA THR A 6 -9.792 -12.517 -9.304 1.00 0.00 H new ATOM 0 HB THR A 6 -10.781 -13.939 -7.796 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.754 -12.681 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.741 -14.789 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.883 -15.343 -7.177 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.204 -14.026 -6.191 1.00 0.00 H new ATOM 58 N GLY A 7 -8.141 -10.727 -8.627 1.00 0.00 N ATOM 59 CA GLY A 7 -7.215 -9.695 -8.145 1.00 0.00 C ATOM 60 C GLY A 7 -7.872 -8.380 -7.746 1.00 0.00 C ATOM 61 O GLY A 7 -9.062 -8.303 -7.440 1.00 0.00 O ATOM 0 H GLY A 7 -8.828 -10.419 -9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.671 -10.088 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.479 -9.495 -8.924 1.00 0.00 H new ATOM 65 N LEU A 8 -7.024 -7.366 -7.617 1.00 0.00 N ATOM 66 CA LEU A 8 -7.411 -6.142 -6.923 1.00 0.00 C ATOM 67 C LEU A 8 -6.949 -4.973 -7.783 1.00 0.00 C ATOM 68 O LEU A 8 -5.861 -5.003 -8.360 1.00 0.00 O ATOM 69 CB LEU A 8 -6.654 -6.114 -5.584 1.00 0.00 C ATOM 70 CG LEU A 8 -7.442 -5.594 -4.388 1.00 0.00 C ATOM 71 CD1 LEU A 8 -6.423 -5.416 -3.262 1.00 0.00 C ATOM 72 CD2 LEU A 8 -8.177 -4.277 -4.660 1.00 0.00 C ATOM 0 H LEU A 8 -6.071 -7.366 -7.981 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.486 -6.088 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.314 -7.125 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.763 -5.497 -5.704 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.230 -6.304 -4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.927 -5.043 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.955 -6.375 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.659 -4.703 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.715 -3.969 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.455 -3.507 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.884 -4.417 -5.478 1.00 0.00 H new ATOM 84 N LEU A 9 -7.750 -3.921 -7.854 1.00 0.00 N ATOM 85 CA LEU A 9 -7.336 -2.725 -8.559 1.00 0.00 C ATOM 86 C LEU A 9 -7.435 -1.548 -7.585 1.00 0.00 C ATOM 87 O LEU A 9 -8.398 -1.377 -6.837 1.00 0.00 O ATOM 88 CB LEU A 9 -8.209 -2.678 -9.808 1.00 0.00 C ATOM 89 CG LEU A 9 -8.323 -1.295 -10.420 1.00 0.00 C ATOM 90 CD1 LEU A 9 -6.973 -0.932 -11.005 1.00 0.00 C ATOM 91 CD2 LEU A 9 -9.361 -1.370 -11.517 1.00 0.00 C ATOM 0 H LEU A 9 -8.679 -3.873 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.301 -2.696 -8.899 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.801 -3.362 -10.552 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.207 -3.038 -9.557 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.613 -0.545 -9.684 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.026 0.060 -11.453 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.222 -0.934 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.699 -1.661 -11.768 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.471 -0.390 -11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.045 -2.094 -12.268 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.316 -1.680 -11.093 1.00 0.00 H new ATOM 103 N LEU A 10 -6.379 -0.753 -7.619 1.00 0.00 N ATOM 104 CA LEU A 10 -6.277 0.444 -6.778 1.00 0.00 C ATOM 105 C LEU A 10 -6.067 1.630 -7.722 1.00 0.00 C ATOM 106 O LEU A 10 -5.132 1.654 -8.519 1.00 0.00 O ATOM 107 CB LEU A 10 -5.125 0.303 -5.759 1.00 0.00 C ATOM 108 CG LEU A 10 -5.537 0.706 -4.338 1.00 0.00 C ATOM 109 CD1 LEU A 10 -4.381 0.494 -3.363 1.00 0.00 C ATOM 110 CD2 LEU A 10 -6.032 2.151 -4.248 1.00 0.00 C ATOM 0 H LEU A 10 -5.571 -0.910 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.182 0.591 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.776 -0.730 -5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.286 0.921 -6.078 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.372 0.061 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.693 0.786 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.094 -0.557 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.530 1.102 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.309 2.377 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.240 2.828 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.901 2.279 -4.894 1.00 0.00 H new ATOM 122 N ILE A 11 -6.984 2.586 -7.682 1.00 0.00 N ATOM 123 CA ILE A 11 -6.999 3.652 -8.697 1.00 0.00 C ATOM 124 C ILE A 11 -6.777 4.987 -7.980 1.00 0.00 C ATOM 125 O ILE A 11 -7.376 5.249 -6.936 1.00 0.00 O ATOM 126 CB ILE A 11 -8.357 3.695 -9.440 1.00 0.00 C ATOM 127 CG1 ILE A 11 -8.910 2.299 -9.798 1.00 0.00 C ATOM 128 CG2 ILE A 11 -8.213 4.521 -10.715 1.00 0.00 C ATOM 129 CD1 ILE A 11 -10.313 2.343 -10.407 1.00 0.00 C ATOM 0 H ILE A 11 -7.717 2.654 -6.976 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.217 3.462 -9.432 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.072 4.151 -8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.231 1.816 -10.501 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.930 1.682 -8.899 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.169 4.552 -11.239 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.907 5.535 -10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.461 4.067 -11.360 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.642 1.329 -10.635 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -11.004 2.798 -9.697 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.294 2.933 -11.323 1.00 0.00 H new ATOM 141 N HIS A 12 -5.989 5.882 -8.569 1.00 0.00 N ATOM 142 CA HIS A 12 -5.994 7.275 -8.107 1.00 0.00 C ATOM 143 C HIS A 12 -6.793 8.076 -9.157 1.00 0.00 C ATOM 144 O HIS A 12 -6.509 7.964 -10.350 1.00 0.00 O ATOM 145 CB HIS A 12 -4.532 7.725 -8.023 1.00 0.00 C ATOM 146 CG HIS A 12 -4.249 9.180 -7.682 1.00 0.00 C ATOM 147 ND1 HIS A 12 -5.180 10.169 -7.401 1.00 0.00 N ATOM 148 CD2 HIS A 12 -2.963 9.723 -7.778 1.00 0.00 C ATOM 149 CE1 HIS A 12 -4.327 11.242 -7.353 1.00 0.00 C ATOM 150 NE2 HIS A 12 -2.987 11.078 -7.550 1.00 0.00 N ATOM 0 H HIS A 12 -5.356 5.682 -9.343 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.452 7.417 -7.128 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.035 7.105 -7.277 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.061 7.510 -8.982 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.072 9.154 -8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -4.721 12.228 -7.157 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -2.228 11.759 -7.533 1.00 0.00 H new ATOM 158 N PRO A 13 -7.782 8.890 -8.767 1.00 0.00 N ATOM 159 CA PRO A 13 -8.712 9.512 -9.725 1.00 0.00 C ATOM 160 C PRO A 13 -8.211 10.444 -10.841 1.00 0.00 C ATOM 161 O PRO A 13 -9.023 10.857 -11.668 1.00 0.00 O ATOM 162 CB PRO A 13 -9.563 10.355 -8.784 1.00 0.00 C ATOM 163 CG PRO A 13 -9.702 9.492 -7.536 1.00 0.00 C ATOM 164 CD PRO A 13 -8.315 8.871 -7.394 1.00 0.00 C ATOM 0 HA PRO A 13 -9.147 8.707 -10.317 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.084 11.308 -8.559 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.535 10.583 -9.222 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.970 10.086 -6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.475 8.732 -7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.687 9.445 -6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.369 7.856 -6.999 1.00 0.00 H new ATOM 172 N ALA A 14 -6.974 10.924 -10.809 1.00 0.00 N ATOM 173 CA ALA A 14 -6.658 12.116 -11.623 1.00 0.00 C ATOM 174 C ALA A 14 -6.699 11.937 -13.144 1.00 0.00 C ATOM 175 O ALA A 14 -7.389 12.696 -13.825 1.00 0.00 O ATOM 176 CB ALA A 14 -5.281 12.647 -11.235 1.00 0.00 C ATOM 0 H ALA A 14 -6.203 10.540 -10.263 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.462 12.816 -11.395 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.048 13.526 -11.835 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.280 12.918 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.531 11.877 -11.413 1.00 0.00 H new ATOM 182 N VAL A 15 -6.034 10.924 -13.690 1.00 0.00 N ATOM 183 CA VAL A 15 -6.230 10.588 -15.106 1.00 0.00 C ATOM 184 C VAL A 15 -7.388 9.589 -15.273 1.00 0.00 C ATOM 185 O VAL A 15 -8.036 9.543 -16.318 1.00 0.00 O ATOM 186 CB VAL A 15 -4.926 10.038 -15.710 1.00 0.00 C ATOM 187 CG1 VAL A 15 -3.872 11.140 -15.856 1.00 0.00 C ATOM 188 CG2 VAL A 15 -4.340 8.846 -14.943 1.00 0.00 C ATOM 0 H VAL A 15 -5.369 10.331 -13.193 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.496 11.496 -15.647 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.202 9.667 -16.697 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.963 10.719 -16.285 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.253 11.924 -16.510 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.649 11.562 -14.876 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.423 8.515 -15.430 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.119 9.146 -13.918 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.061 8.029 -14.935 1.00 0.00 H new ATOM 198 N THR A 16 -7.632 8.777 -14.245 1.00 0.00 N ATOM 199 CA THR A 16 -8.560 7.651 -14.367 1.00 0.00 C ATOM 200 C THR A 16 -10.046 8.047 -14.344 1.00 0.00 C ATOM 201 O THR A 16 -10.886 7.209 -14.670 1.00 0.00 O ATOM 202 CB THR A 16 -8.236 6.652 -13.253 1.00 0.00 C ATOM 203 OG1 THR A 16 -8.545 7.229 -11.992 1.00 0.00 O ATOM 204 CG2 THR A 16 -6.761 6.233 -13.277 1.00 0.00 C ATOM 0 H THR A 16 -7.204 8.876 -13.324 1.00 0.00 H new ATOM 0 HA THR A 16 -8.416 7.205 -15.351 1.00 0.00 H new ATOM 0 HB THR A 16 -8.841 5.760 -13.417 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.715 7.424 -11.509 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.571 5.524 -12.471 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.531 5.765 -14.234 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.131 7.112 -13.142 1.00 0.00 H new ATOM 212 N THR A 17 -10.413 9.270 -13.936 1.00 0.00 N ATOM 213 CA THR A 17 -11.842 9.569 -13.721 1.00 0.00 C ATOM 214 C THR A 17 -12.597 9.792 -15.055 1.00 0.00 C ATOM 215 O THR A 17 -13.807 10.025 -15.057 1.00 0.00 O ATOM 216 CB THR A 17 -11.987 10.773 -12.773 1.00 0.00 C ATOM 217 OG1 THR A 17 -13.358 10.951 -12.447 1.00 0.00 O ATOM 218 CG2 THR A 17 -11.447 12.084 -13.359 1.00 0.00 C ATOM 0 H THR A 17 -9.772 10.042 -13.753 1.00 0.00 H new ATOM 0 HA THR A 17 -12.306 8.701 -13.252 1.00 0.00 H new ATOM 0 HB THR A 17 -11.390 10.546 -11.890 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.913 10.669 -13.203 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.582 12.889 -12.636 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.386 11.973 -13.583 1.00 0.00 H new ATOM 0 HG23 THR A 17 -11.988 12.324 -14.274 1.00 0.00 H new ATOM 226 N THR A 18 -11.908 9.647 -16.189 1.00 0.00 N ATOM 227 CA THR A 18 -12.589 9.554 -17.486 1.00 0.00 C ATOM 228 C THR A 18 -12.661 8.037 -17.834 1.00 0.00 C ATOM 229 O THR A 18 -12.000 7.233 -17.175 1.00 0.00 O ATOM 230 CB THR A 18 -11.655 10.401 -18.387 1.00 0.00 C ATOM 231 OG1 THR A 18 -11.643 11.739 -17.900 1.00 0.00 O ATOM 232 CG2 THR A 18 -12.037 10.481 -19.866 1.00 0.00 C ATOM 0 H THR A 18 -10.891 9.592 -16.238 1.00 0.00 H new ATOM 0 HA THR A 18 -13.613 9.919 -17.565 1.00 0.00 H new ATOM 0 HB THR A 18 -10.692 9.893 -18.337 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.054 12.286 -18.461 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.312 11.099 -20.396 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.042 9.479 -20.295 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.029 10.922 -19.962 1.00 0.00 H new ATOM 240 N PRO A 19 -13.416 7.569 -18.843 1.00 0.00 N ATOM 241 CA PRO A 19 -13.610 6.106 -18.983 1.00 0.00 C ATOM 242 C PRO A 19 -12.463 5.272 -19.579 1.00 0.00 C ATOM 243 O PRO A 19 -12.562 4.044 -19.613 1.00 0.00 O ATOM 244 CB PRO A 19 -14.854 6.007 -19.865 1.00 0.00 C ATOM 245 CG PRO A 19 -15.666 7.234 -19.478 1.00 0.00 C ATOM 246 CD PRO A 19 -14.605 8.316 -19.296 1.00 0.00 C ATOM 0 HA PRO A 19 -13.682 5.671 -17.986 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.596 6.015 -20.924 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.406 5.086 -19.678 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.384 7.502 -20.253 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.233 7.068 -18.562 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.412 8.848 -20.227 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.914 9.060 -18.562 1.00 0.00 H new ATOM 254 N GLU A 20 -11.416 5.891 -20.119 1.00 0.00 N ATOM 255 CA GLU A 20 -10.469 5.141 -20.960 1.00 0.00 C ATOM 256 C GLU A 20 -9.517 4.206 -20.205 1.00 0.00 C ATOM 257 O GLU A 20 -9.392 3.041 -20.578 1.00 0.00 O ATOM 258 CB GLU A 20 -9.637 6.117 -21.795 1.00 0.00 C ATOM 259 CG GLU A 20 -10.476 6.910 -22.805 1.00 0.00 C ATOM 260 CD GLU A 20 -9.604 7.859 -23.618 1.00 0.00 C ATOM 261 OE1 GLU A 20 -9.100 7.449 -24.687 1.00 0.00 O ATOM 262 OE2 GLU A 20 -9.419 9.020 -23.193 1.00 0.00 O ATOM 0 H GLU A 20 -11.200 6.881 -19.999 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.093 4.498 -21.580 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.127 6.813 -21.129 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.865 5.563 -22.329 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.991 6.221 -23.474 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.244 7.477 -22.279 1.00 0.00 H new ATOM 269 N LEU A 21 -8.832 4.689 -19.170 1.00 0.00 N ATOM 270 CA LEU A 21 -7.857 3.839 -18.459 1.00 0.00 C ATOM 271 C LEU A 21 -8.533 2.710 -17.665 1.00 0.00 C ATOM 272 O LEU A 21 -7.944 1.646 -17.479 1.00 0.00 O ATOM 273 CB LEU A 21 -6.965 4.684 -17.534 1.00 0.00 C ATOM 274 CG LEU A 21 -5.982 5.617 -18.264 1.00 0.00 C ATOM 275 CD1 LEU A 21 -6.645 6.909 -18.752 1.00 0.00 C ATOM 276 CD2 LEU A 21 -4.837 5.983 -17.315 1.00 0.00 C ATOM 0 H LEU A 21 -8.924 5.638 -18.806 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.234 3.371 -19.221 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.603 5.286 -16.887 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.397 4.014 -16.888 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.617 5.080 -19.139 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.905 7.528 -19.259 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.451 6.665 -19.445 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.052 7.454 -17.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.137 6.644 -17.827 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.239 6.490 -16.438 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.318 5.076 -17.004 1.00 0.00 H new ATOM 288 N VAL A 22 -9.759 2.928 -17.189 1.00 0.00 N ATOM 289 CA VAL A 22 -10.505 1.845 -16.517 1.00 0.00 C ATOM 290 C VAL A 22 -10.865 0.733 -17.524 1.00 0.00 C ATOM 291 O VAL A 22 -10.579 -0.440 -17.274 1.00 0.00 O ATOM 292 CB VAL A 22 -11.751 2.411 -15.805 1.00 0.00 C ATOM 293 CG1 VAL A 22 -12.526 1.309 -15.072 1.00 0.00 C ATOM 294 CG2 VAL A 22 -11.377 3.494 -14.785 1.00 0.00 C ATOM 0 H VAL A 22 -10.253 3.818 -17.249 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.871 1.396 -15.752 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.376 2.845 -16.585 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -13.398 1.742 -14.581 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.850 0.554 -15.788 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.881 0.846 -14.325 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.281 3.869 -14.304 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.714 3.070 -14.031 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.871 4.314 -15.294 1.00 0.00 H new ATOM 304 N GLU A 23 -11.446 1.080 -18.673 1.00 0.00 N ATOM 305 CA GLU A 23 -11.721 0.069 -19.713 1.00 0.00 C ATOM 306 C GLU A 23 -10.451 -0.630 -20.228 1.00 0.00 C ATOM 307 O GLU A 23 -10.464 -1.827 -20.505 1.00 0.00 O ATOM 308 CB GLU A 23 -12.431 0.738 -20.895 1.00 0.00 C ATOM 309 CG GLU A 23 -13.854 1.189 -20.551 1.00 0.00 C ATOM 310 CD GLU A 23 -14.514 1.884 -21.735 1.00 0.00 C ATOM 311 OE1 GLU A 23 -14.355 3.118 -21.874 1.00 0.00 O ATOM 312 OE2 GLU A 23 -15.193 1.203 -22.533 1.00 0.00 O ATOM 0 H GLU A 23 -11.733 2.030 -18.911 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.349 -0.694 -19.253 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.850 1.600 -21.222 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.467 0.042 -21.733 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.450 0.326 -20.254 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.827 1.866 -19.697 1.00 0.00 H new ATOM 319 N ASN A 24 -9.358 0.116 -20.344 1.00 0.00 N ATOM 320 CA ASN A 24 -8.053 -0.441 -20.724 1.00 0.00 C ATOM 321 C ASN A 24 -7.517 -1.513 -19.762 1.00 0.00 C ATOM 322 O ASN A 24 -7.113 -2.585 -20.211 1.00 0.00 O ATOM 323 CB ASN A 24 -7.089 0.748 -20.717 1.00 0.00 C ATOM 324 CG ASN A 24 -7.140 1.614 -21.979 1.00 0.00 C ATOM 325 OD1 ASN A 24 -7.917 1.385 -22.905 1.00 0.00 O ATOM 326 ND2 ASN A 24 -6.302 2.633 -22.022 1.00 0.00 N ATOM 0 H ASN A 24 -9.345 1.122 -20.179 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.151 -0.938 -21.689 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.311 1.374 -19.853 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.073 0.375 -20.588 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.290 3.249 -22.835 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.667 2.804 -21.243 1.00 0.00 H new ATOM 333 N THR A 25 -7.496 -1.249 -18.452 1.00 0.00 N ATOM 334 CA THR A 25 -7.003 -2.273 -17.507 1.00 0.00 C ATOM 335 C THR A 25 -7.930 -3.505 -17.463 1.00 0.00 C ATOM 336 O THR A 25 -7.467 -4.651 -17.460 1.00 0.00 O ATOM 337 CB THR A 25 -6.713 -1.666 -16.121 1.00 0.00 C ATOM 338 OG1 THR A 25 -6.028 -2.629 -15.332 1.00 0.00 O ATOM 339 CG2 THR A 25 -7.947 -1.196 -15.345 1.00 0.00 C ATOM 0 H THR A 25 -7.800 -0.373 -18.027 1.00 0.00 H new ATOM 0 HA THR A 25 -6.047 -2.642 -17.877 1.00 0.00 H new ATOM 0 HB THR A 25 -6.116 -0.774 -16.310 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.837 -2.252 -14.448 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.638 -0.785 -14.384 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.466 -0.428 -15.918 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.616 -2.040 -15.180 1.00 0.00 H new ATOM 347 N LYS A 26 -9.241 -3.269 -17.505 1.00 0.00 N ATOM 348 CA LYS A 26 -10.198 -4.367 -17.689 1.00 0.00 C ATOM 349 C LYS A 26 -10.006 -5.097 -19.033 1.00 0.00 C ATOM 350 O LYS A 26 -10.231 -6.304 -19.103 1.00 0.00 O ATOM 351 CB LYS A 26 -11.625 -3.807 -17.582 1.00 0.00 C ATOM 352 CG LYS A 26 -11.916 -3.096 -16.250 1.00 0.00 C ATOM 353 CD LYS A 26 -11.880 -4.042 -15.049 1.00 0.00 C ATOM 354 CE LYS A 26 -12.245 -3.296 -13.763 1.00 0.00 C ATOM 355 NZ LYS A 26 -12.200 -4.208 -12.611 1.00 0.00 N ATOM 0 H LYS A 26 -9.663 -2.345 -17.416 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.022 -5.105 -16.907 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.793 -3.107 -18.401 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.336 -4.623 -17.710 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.185 -2.301 -16.101 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.896 -2.622 -16.304 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.576 -4.866 -15.208 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.886 -4.478 -14.953 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.554 -2.468 -13.607 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.242 -2.865 -13.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.945 -3.948 -11.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.352 -5.184 -12.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.271 -4.138 -12.149 1.00 0.00 H new ATOM 369 N ALA A 27 -9.597 -4.399 -20.099 1.00 0.00 N ATOM 370 CA ALA A 27 -9.324 -5.078 -21.377 1.00 0.00 C ATOM 371 C ALA A 27 -8.083 -5.982 -21.352 1.00 0.00 C ATOM 372 O ALA A 27 -8.087 -7.047 -21.972 1.00 0.00 O ATOM 373 CB ALA A 27 -9.212 -4.043 -22.497 1.00 0.00 C ATOM 0 H ALA A 27 -9.450 -3.390 -20.108 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.167 -5.744 -21.561 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.010 -4.549 -23.441 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.147 -3.489 -22.575 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.399 -3.352 -22.274 1.00 0.00 H new ATOM 379 N GLN A 28 -7.032 -5.586 -20.637 1.00 0.00 N ATOM 380 CA GLN A 28 -5.882 -6.484 -20.432 1.00 0.00 C ATOM 381 C GLN A 28 -6.305 -7.770 -19.712 1.00 0.00 C ATOM 382 O GLN A 28 -6.078 -8.876 -20.205 1.00 0.00 O ATOM 383 CB GLN A 28 -4.842 -5.814 -19.532 1.00 0.00 C ATOM 384 CG GLN A 28 -4.127 -4.597 -20.123 1.00 0.00 C ATOM 385 CD GLN A 28 -3.164 -4.030 -19.086 1.00 0.00 C ATOM 386 OE1 GLN A 28 -3.699 -3.645 -17.940 1.00 0.00 O flip ATOM 387 NE2 GLN A 28 -1.952 -3.970 -19.286 1.00 0.00 N flip ATOM 0 H GLN A 28 -6.946 -4.671 -20.196 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.477 -6.708 -21.419 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.333 -5.509 -18.608 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.091 -6.557 -19.263 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.584 -4.881 -21.024 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.854 -3.839 -20.415 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.567 -4.274 -20.180 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.332 -3.616 -18.558 1.00 0.00 H new ATOM 396 N ALA A 29 -6.902 -7.616 -18.530 1.00 0.00 N ATOM 397 CA ALA A 29 -7.307 -8.790 -17.735 1.00 0.00 C ATOM 398 C ALA A 29 -8.353 -9.690 -18.420 1.00 0.00 C ATOM 399 O ALA A 29 -8.285 -10.915 -18.325 1.00 0.00 O ATOM 400 CB ALA A 29 -7.862 -8.264 -16.411 1.00 0.00 C ATOM 0 H ALA A 29 -7.115 -6.714 -18.104 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.431 -9.425 -17.600 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.175 -9.103 -15.789 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.089 -7.696 -15.893 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.718 -7.618 -16.606 1.00 0.00 H new ATOM 406 N ALA A 30 -9.273 -9.092 -19.173 1.00 0.00 N ATOM 407 CA ALA A 30 -10.187 -9.876 -20.027 1.00 0.00 C ATOM 408 C ALA A 30 -9.563 -10.629 -21.215 1.00 0.00 C ATOM 409 O ALA A 30 -9.786 -11.833 -21.351 1.00 0.00 O ATOM 410 CB ALA A 30 -11.281 -8.934 -20.537 1.00 0.00 C ATOM 0 H ALA A 30 -9.412 -8.082 -19.216 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.564 -10.674 -19.387 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.972 -9.489 -21.172 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.824 -8.515 -19.690 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.827 -8.127 -21.113 1.00 0.00 H new ATOM 416 N SER A 31 -8.748 -9.978 -22.050 1.00 0.00 N ATOM 417 CA SER A 31 -7.973 -10.710 -23.070 1.00 0.00 C ATOM 418 C SER A 31 -6.996 -11.772 -22.540 1.00 0.00 C ATOM 419 O SER A 31 -6.754 -12.775 -23.210 1.00 0.00 O ATOM 420 CB SER A 31 -7.219 -9.693 -23.938 1.00 0.00 C ATOM 421 OG SER A 31 -6.253 -8.990 -23.169 1.00 0.00 O ATOM 0 H SER A 31 -8.605 -8.968 -22.046 1.00 0.00 H new ATOM 0 HA SER A 31 -8.705 -11.279 -23.643 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.728 -10.207 -24.765 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.925 -8.987 -24.376 1.00 0.00 H new ATOM 0 HG SER A 31 -6.694 -8.277 -22.662 1.00 0.00 H new ATOM 427 N LYS A 32 -6.472 -11.599 -21.327 1.00 0.00 N ATOM 428 CA LYS A 32 -5.706 -12.662 -20.677 1.00 0.00 C ATOM 429 C LYS A 32 -6.656 -13.614 -19.929 1.00 0.00 C ATOM 430 O LYS A 32 -7.556 -14.211 -20.522 1.00 0.00 O ATOM 431 CB LYS A 32 -4.650 -11.963 -19.798 1.00 0.00 C ATOM 432 CG LYS A 32 -3.569 -11.246 -20.621 1.00 0.00 C ATOM 433 CD LYS A 32 -2.469 -10.640 -19.743 1.00 0.00 C ATOM 434 CE LYS A 32 -2.973 -9.469 -18.895 1.00 0.00 C ATOM 435 NZ LYS A 32 -1.869 -8.894 -18.113 1.00 0.00 N ATOM 0 H LYS A 32 -6.562 -10.743 -20.780 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.181 -13.308 -21.381 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.145 -11.240 -19.149 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.177 -12.701 -19.150 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.123 -11.952 -21.322 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.032 -10.457 -21.214 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.066 -11.412 -19.087 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.650 -10.300 -20.376 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.408 -8.705 -19.539 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.763 -9.809 -18.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.224 -8.101 -17.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.472 -9.622 -17.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.128 -8.552 -18.758 1.00 0.00 H new ATOM 449 N LYS A 33 -6.412 -13.792 -18.639 1.00 0.00 N ATOM 450 CA LYS A 33 -7.101 -14.832 -17.849 1.00 0.00 C ATOM 451 C LYS A 33 -7.577 -14.349 -16.470 1.00 0.00 C ATOM 452 O LYS A 33 -7.978 -15.136 -15.612 1.00 0.00 O ATOM 453 CB LYS A 33 -6.119 -15.998 -17.679 1.00 0.00 C ATOM 454 CG LYS A 33 -6.782 -17.360 -17.454 1.00 0.00 C ATOM 455 CD LYS A 33 -7.654 -17.731 -18.655 1.00 0.00 C ATOM 456 CE LYS A 33 -8.014 -19.217 -18.646 1.00 0.00 C ATOM 457 NZ LYS A 33 -8.834 -19.551 -19.821 1.00 0.00 N ATOM 0 H LYS A 33 -5.744 -13.235 -18.106 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.004 -15.125 -18.385 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.488 -16.057 -18.566 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.463 -15.784 -16.835 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.019 -18.123 -17.301 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.390 -17.331 -16.550 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.566 -17.134 -18.642 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.127 -17.488 -19.578 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.105 -19.818 -18.646 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.558 -19.461 -17.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.071 -20.563 -19.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.709 -18.990 -19.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.302 -19.336 -20.688 1.00 0.00 H new ATOM 471 N VAL A 34 -7.498 -13.048 -16.256 1.00 0.00 N ATOM 472 CA VAL A 34 -7.713 -12.475 -14.919 1.00 0.00 C ATOM 473 C VAL A 34 -9.030 -11.680 -14.896 1.00 0.00 C ATOM 474 O VAL A 34 -9.409 -11.032 -15.871 1.00 0.00 O ATOM 475 CB VAL A 34 -6.519 -11.554 -14.574 1.00 0.00 C ATOM 476 CG1 VAL A 34 -6.627 -11.000 -13.152 1.00 0.00 C ATOM 477 CG2 VAL A 34 -5.164 -12.263 -14.690 1.00 0.00 C ATOM 0 H VAL A 34 -7.288 -12.362 -16.981 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.781 -13.272 -14.178 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.567 -10.747 -15.306 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.771 -10.358 -12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.546 -10.422 -13.056 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.641 -11.825 -12.440 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.366 -11.566 -14.436 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.137 -13.111 -14.005 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.025 -12.617 -15.711 1.00 0.00 H new ATOM 487 N LYS A 35 -9.653 -11.622 -13.725 1.00 0.00 N ATOM 488 CA LYS A 35 -10.694 -10.612 -13.477 1.00 0.00 C ATOM 489 C LYS A 35 -10.318 -9.906 -12.175 1.00 0.00 C ATOM 490 O LYS A 35 -9.919 -10.519 -11.184 1.00 0.00 O ATOM 491 CB LYS A 35 -12.105 -11.199 -13.369 1.00 0.00 C ATOM 492 CG LYS A 35 -12.725 -11.481 -14.740 1.00 0.00 C ATOM 493 CD LYS A 35 -14.093 -12.157 -14.602 1.00 0.00 C ATOM 494 CE LYS A 35 -14.736 -12.470 -15.957 1.00 0.00 C ATOM 495 NZ LYS A 35 -15.079 -11.239 -16.688 1.00 0.00 N ATOM 0 H LYS A 35 -9.466 -12.247 -12.941 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.731 -9.929 -14.325 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.068 -12.123 -12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.743 -10.506 -12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.832 -10.547 -15.292 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.058 -12.119 -15.319 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.982 -13.081 -14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.758 -11.510 -14.030 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.052 -13.071 -16.556 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.635 -13.067 -15.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.603 -11.483 -17.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.669 -10.631 -16.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.207 -10.732 -16.943 1.00 0.00 H new ATOM 509 N PHE A 36 -10.456 -8.590 -12.209 1.00 0.00 N ATOM 510 CA PHE A 36 -10.133 -7.758 -11.037 1.00 0.00 C ATOM 511 C PHE A 36 -11.421 -7.440 -10.275 1.00 0.00 C ATOM 512 O PHE A 36 -12.276 -6.665 -10.706 1.00 0.00 O ATOM 513 CB PHE A 36 -9.309 -6.508 -11.337 1.00 0.00 C ATOM 514 CG PHE A 36 -8.010 -6.723 -12.108 1.00 0.00 C ATOM 515 CD1 PHE A 36 -7.053 -7.606 -11.701 1.00 0.00 C ATOM 516 CD2 PHE A 36 -7.785 -5.957 -13.212 1.00 0.00 C ATOM 517 CE1 PHE A 36 -5.918 -7.761 -12.431 1.00 0.00 C ATOM 518 CE2 PHE A 36 -6.649 -6.109 -13.935 1.00 0.00 C ATOM 519 CZ PHE A 36 -5.729 -7.032 -13.560 1.00 0.00 C ATOM 0 H PHE A 36 -10.785 -8.069 -13.022 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.467 -8.347 -10.406 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.932 -5.815 -11.903 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.069 -6.021 -10.392 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.198 -8.182 -10.799 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.518 -5.223 -13.513 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.164 -8.466 -12.112 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.477 -5.497 -14.808 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.845 -7.187 -14.161 1.00 0.00 H new ATOM 529 N VAL A 37 -11.597 -8.193 -9.203 1.00 0.00 N ATOM 530 CA VAL A 37 -12.888 -8.298 -8.517 1.00 0.00 C ATOM 531 C VAL A 37 -13.189 -7.142 -7.549 1.00 0.00 C ATOM 532 O VAL A 37 -14.355 -6.870 -7.259 1.00 0.00 O ATOM 533 CB VAL A 37 -12.907 -9.651 -7.775 1.00 0.00 C ATOM 534 CG1 VAL A 37 -12.829 -10.829 -8.751 1.00 0.00 C ATOM 535 CG2 VAL A 37 -11.824 -9.803 -6.703 1.00 0.00 C ATOM 0 H VAL A 37 -10.856 -8.750 -8.779 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.675 -8.236 -9.269 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.865 -9.661 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.845 -11.765 -8.193 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.681 -10.796 -9.429 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.905 -10.765 -9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.912 -10.783 -6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.841 -9.708 -7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.948 -9.026 -5.948 1.00 0.00 H new ATOM 545 N ASP A 38 -12.155 -6.474 -7.040 1.00 0.00 N ATOM 546 CA ASP A 38 -12.362 -5.428 -6.024 1.00 0.00 C ATOM 547 C ASP A 38 -11.807 -4.083 -6.491 1.00 0.00 C ATOM 548 O ASP A 38 -11.135 -3.969 -7.518 1.00 0.00 O ATOM 549 CB ASP A 38 -11.741 -5.815 -4.672 1.00 0.00 C ATOM 550 CG ASP A 38 -12.321 -7.105 -4.102 1.00 0.00 C ATOM 551 OD1 ASP A 38 -13.561 -7.220 -3.990 1.00 0.00 O ATOM 552 OD2 ASP A 38 -11.534 -8.014 -3.767 1.00 0.00 O ATOM 0 H ASP A 38 -11.182 -6.629 -7.304 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.439 -5.331 -5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.664 -5.928 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.899 -5.005 -3.960 1.00 0.00 H new ATOM 557 N GLN A 39 -12.141 -3.044 -5.729 1.00 0.00 N ATOM 558 CA GLN A 39 -11.882 -1.669 -6.178 1.00 0.00 C ATOM 559 C GLN A 39 -11.566 -0.809 -4.966 1.00 0.00 C ATOM 560 O GLN A 39 -12.353 -0.739 -4.022 1.00 0.00 O ATOM 561 CB GLN A 39 -13.095 -1.029 -6.870 1.00 0.00 C ATOM 562 CG GLN A 39 -13.774 -1.954 -7.877 1.00 0.00 C ATOM 563 CD GLN A 39 -14.830 -1.231 -8.704 1.00 0.00 C ATOM 564 OE1 GLN A 39 -14.535 -0.599 -9.717 1.00 0.00 O ATOM 565 NE2 GLN A 39 -16.080 -1.311 -8.283 1.00 0.00 N ATOM 0 H GLN A 39 -12.584 -3.119 -4.813 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.057 -1.720 -6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.821 -0.732 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.776 -0.120 -7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.022 -2.378 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.237 -2.787 -7.348 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.301 -1.841 -7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.824 -0.843 -8.801 1.00 0.00 H new ATOM 574 N PHE A 40 -10.423 -0.138 -4.997 1.00 0.00 N ATOM 575 CA PHE A 40 -10.150 0.860 -3.955 1.00 0.00 C ATOM 576 C PHE A 40 -9.690 2.149 -4.643 1.00 0.00 C ATOM 577 O PHE A 40 -9.069 2.115 -5.705 1.00 0.00 O ATOM 578 CB PHE A 40 -9.090 0.335 -2.978 1.00 0.00 C ATOM 579 CG PHE A 40 -9.450 -0.898 -2.162 1.00 0.00 C ATOM 580 CD1 PHE A 40 -10.604 -0.968 -1.446 1.00 0.00 C ATOM 581 CD2 PHE A 40 -8.549 -1.914 -2.080 1.00 0.00 C ATOM 582 CE1 PHE A 40 -10.851 -2.041 -0.652 1.00 0.00 C ATOM 583 CE2 PHE A 40 -8.799 -2.988 -1.289 1.00 0.00 C ATOM 584 CZ PHE A 40 -9.947 -3.051 -0.571 1.00 0.00 C ATOM 0 H PHE A 40 -9.692 -0.253 -5.699 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.049 1.061 -3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.187 0.113 -3.546 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.841 1.139 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.326 -0.167 -1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.631 -1.866 -2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.768 -2.091 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.082 -3.794 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.142 -3.903 0.064 1.00 0.00 H new ATOM 594 N LEU A 41 -9.969 3.299 -4.033 1.00 0.00 N ATOM 595 CA LEU A 41 -9.415 4.564 -4.518 1.00 0.00 C ATOM 596 C LEU A 41 -8.390 5.053 -3.491 1.00 0.00 C ATOM 597 O LEU A 41 -8.447 4.697 -2.315 1.00 0.00 O ATOM 598 CB LEU A 41 -10.548 5.589 -4.653 1.00 0.00 C ATOM 599 CG LEU A 41 -11.617 5.260 -5.709 1.00 0.00 C ATOM 600 CD1 LEU A 41 -12.615 6.416 -5.803 1.00 0.00 C ATOM 601 CD2 LEU A 41 -11.012 5.015 -7.093 1.00 0.00 C ATOM 0 H LEU A 41 -10.568 3.383 -3.212 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.939 4.433 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.038 5.692 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.111 6.558 -4.894 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.114 4.343 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.372 6.183 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.094 6.563 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.090 7.327 -6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.807 4.787 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.479 5.908 -7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.318 4.176 -7.043 1.00 0.00 H new ATOM 613 N ILE A 42 -7.444 5.888 -3.912 1.00 0.00 N ATOM 614 CA ILE A 42 -6.439 6.398 -2.967 1.00 0.00 C ATOM 615 C ILE A 42 -7.049 7.254 -1.837 1.00 0.00 C ATOM 616 O ILE A 42 -6.652 7.110 -0.679 1.00 0.00 O ATOM 617 CB ILE A 42 -5.316 7.080 -3.782 1.00 0.00 C ATOM 618 CG1 ILE A 42 -4.102 7.465 -2.936 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.749 8.347 -4.525 1.00 0.00 C ATOM 620 CD1 ILE A 42 -3.584 6.301 -2.098 1.00 0.00 C ATOM 0 H ILE A 42 -7.347 6.222 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.992 5.574 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.055 6.306 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.306 7.821 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.369 8.292 -2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.899 8.758 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.546 8.102 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.111 9.084 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.722 6.627 -1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.369 5.961 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.290 5.482 -2.755 1.00 0.00 H new ATOM 632 N ASN A 43 -8.036 8.103 -2.136 1.00 0.00 N ATOM 633 CA ASN A 43 -8.661 8.908 -1.069 1.00 0.00 C ATOM 634 C ASN A 43 -9.740 8.146 -0.277 1.00 0.00 C ATOM 635 O ASN A 43 -9.898 8.391 0.919 1.00 0.00 O ATOM 636 CB ASN A 43 -9.285 10.171 -1.684 1.00 0.00 C ATOM 637 CG ASN A 43 -8.250 11.100 -2.319 1.00 0.00 C ATOM 638 OD1 ASN A 43 -7.412 11.692 -1.640 1.00 0.00 O ATOM 639 ND2 ASN A 43 -8.297 11.246 -3.632 1.00 0.00 N ATOM 0 H ASN A 43 -8.413 8.253 -3.072 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.870 9.161 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.014 9.878 -2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.828 10.715 -0.911 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.630 11.859 -4.101 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.000 10.746 -4.176 1.00 0.00 H new ATOM 646 N LYS A 44 -10.450 7.194 -0.886 1.00 0.00 N ATOM 647 CA LYS A 44 -11.470 6.439 -0.145 1.00 0.00 C ATOM 648 C LYS A 44 -10.883 5.273 0.663 1.00 0.00 C ATOM 649 O LYS A 44 -11.424 4.934 1.715 1.00 0.00 O ATOM 650 CB LYS A 44 -12.543 5.919 -1.110 1.00 0.00 C ATOM 651 CG LYS A 44 -13.401 7.042 -1.703 1.00 0.00 C ATOM 652 CD LYS A 44 -14.607 6.473 -2.453 1.00 0.00 C ATOM 653 CE LYS A 44 -15.438 7.589 -3.089 1.00 0.00 C ATOM 654 NZ LYS A 44 -16.591 7.021 -3.805 1.00 0.00 N ATOM 0 H LYS A 44 -10.345 6.930 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.915 7.129 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.062 5.369 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.187 5.214 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.742 7.703 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.798 7.646 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.266 5.784 -3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.229 5.899 -1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.783 8.279 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.820 8.164 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.147 7.789 -4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.255 6.380 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.188 6.492 -3.138 1.00 0.00 H new ATOM 668 N LEU A 45 -9.788 4.658 0.216 1.00 0.00 N ATOM 669 CA LEU A 45 -9.155 3.602 1.032 1.00 0.00 C ATOM 670 C LEU A 45 -8.445 4.167 2.269 1.00 0.00 C ATOM 671 O LEU A 45 -8.541 3.624 3.371 1.00 0.00 O ATOM 672 CB LEU A 45 -8.066 2.936 0.186 1.00 0.00 C ATOM 673 CG LEU A 45 -7.529 1.616 0.765 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.653 0.611 1.030 1.00 0.00 C ATOM 675 CD2 LEU A 45 -6.514 1.015 -0.210 1.00 0.00 C ATOM 0 H LEU A 45 -9.328 4.857 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.942 2.917 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.463 2.746 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.236 3.633 0.071 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.051 1.833 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.231 -0.307 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.359 1.035 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.170 0.389 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.130 0.079 0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.998 0.824 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.690 1.713 -0.353 1.00 0.00 H new ATOM 687 N ASN A 46 -7.773 5.296 2.070 1.00 0.00 N ATOM 688 CA ASN A 46 -7.099 5.980 3.186 1.00 0.00 C ATOM 689 C ASN A 46 -8.085 6.719 4.117 1.00 0.00 C ATOM 690 O ASN A 46 -7.751 6.992 5.271 1.00 0.00 O ATOM 691 CB ASN A 46 -6.027 6.902 2.587 1.00 0.00 C ATOM 692 CG ASN A 46 -5.161 7.589 3.641 1.00 0.00 C ATOM 693 OD1 ASN A 46 -4.398 6.948 4.364 1.00 0.00 O ATOM 694 ND2 ASN A 46 -5.264 8.902 3.741 1.00 0.00 N ATOM 0 H ASN A 46 -7.677 5.757 1.165 1.00 0.00 H new ATOM 0 HA ASN A 46 -6.624 5.246 3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.387 6.320 1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.513 7.662 1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.704 9.407 4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.903 9.411 3.131 1.00 0.00 H new ATOM 701 N ASP A 47 -9.302 7.012 3.656 1.00 0.00 N ATOM 702 CA ASP A 47 -10.344 7.534 4.559 1.00 0.00 C ATOM 703 C ASP A 47 -11.082 6.401 5.296 1.00 0.00 C ATOM 704 O ASP A 47 -11.430 6.561 6.466 1.00 0.00 O ATOM 705 CB ASP A 47 -11.309 8.442 3.776 1.00 0.00 C ATOM 706 CG ASP A 47 -12.353 9.104 4.669 1.00 0.00 C ATOM 707 OD1 ASP A 47 -12.029 10.115 5.330 1.00 0.00 O ATOM 708 OD2 ASP A 47 -13.504 8.615 4.715 1.00 0.00 O ATOM 0 H ASP A 47 -9.593 6.902 2.684 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.864 8.135 5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.737 9.213 3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.814 7.853 3.010 1.00 0.00 H new ATOM 713 N GLY A 48 -11.332 5.267 4.637 1.00 0.00 N ATOM 714 CA GLY A 48 -12.006 4.142 5.306 1.00 0.00 C ATOM 715 C GLY A 48 -13.398 3.785 4.760 1.00 0.00 C ATOM 716 O GLY A 48 -14.156 3.090 5.433 1.00 0.00 O ATOM 0 H GLY A 48 -11.086 5.100 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.368 3.262 5.229 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.100 4.376 6.366 1.00 0.00 H new ATOM 720 N SER A 49 -13.766 4.273 3.576 1.00 0.00 N ATOM 721 CA SER A 49 -15.140 4.079 3.075 1.00 0.00 C ATOM 722 C SER A 49 -15.432 2.697 2.458 1.00 0.00 C ATOM 723 O SER A 49 -16.598 2.333 2.304 1.00 0.00 O ATOM 724 CB SER A 49 -15.429 5.165 2.029 1.00 0.00 C ATOM 725 OG SER A 49 -15.296 6.458 2.605 1.00 0.00 O ATOM 0 H SER A 49 -13.152 4.796 2.952 1.00 0.00 H new ATOM 0 HA SER A 49 -15.791 4.147 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.742 5.062 1.189 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.437 5.038 1.633 1.00 0.00 H new ATOM 0 HG SER A 49 -15.482 7.139 1.926 1.00 0.00 H new ATOM 731 N ILE A 50 -14.406 1.929 2.090 1.00 0.00 N ATOM 732 CA ILE A 50 -14.621 0.665 1.363 1.00 0.00 C ATOM 733 C ILE A 50 -14.155 -0.474 2.269 1.00 0.00 C ATOM 734 O ILE A 50 -12.998 -0.521 2.690 1.00 0.00 O ATOM 735 CB ILE A 50 -13.840 0.647 0.038 1.00 0.00 C ATOM 736 CG1 ILE A 50 -14.250 1.824 -0.856 1.00 0.00 C ATOM 737 CG2 ILE A 50 -14.018 -0.677 -0.727 1.00 0.00 C ATOM 738 CD1 ILE A 50 -13.293 1.955 -2.030 1.00 0.00 C ATOM 0 H ILE A 50 -13.428 2.151 2.277 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.677 0.554 1.116 1.00 0.00 H new ATOM 0 HB ILE A 50 -12.785 0.743 0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.266 1.675 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.252 2.747 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.448 -0.641 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.659 -1.503 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.073 -0.826 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.597 2.794 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.283 2.126 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.312 1.038 -2.619 1.00 0.00 H new ATOM 750 N THR A 51 -15.081 -1.371 2.582 1.00 0.00 N ATOM 751 CA THR A 51 -14.738 -2.504 3.457 1.00 0.00 C ATOM 752 C THR A 51 -14.748 -3.819 2.677 1.00 0.00 C ATOM 753 O THR A 51 -15.793 -4.362 2.316 1.00 0.00 O ATOM 754 CB THR A 51 -15.653 -2.587 4.695 1.00 0.00 C ATOM 755 OG1 THR A 51 -15.606 -1.356 5.402 1.00 0.00 O ATOM 756 CG2 THR A 51 -15.200 -3.707 5.635 1.00 0.00 C ATOM 0 H THR A 51 -16.048 -1.347 2.259 1.00 0.00 H new ATOM 0 HA THR A 51 -13.726 -2.329 3.823 1.00 0.00 H new ATOM 0 HB THR A 51 -16.668 -2.795 4.355 1.00 0.00 H new ATOM 0 HG1 THR A 51 -16.189 -1.408 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.861 -3.745 6.501 1.00 0.00 H new ATOM 0 HG22 THR A 51 -15.236 -4.661 5.108 1.00 0.00 H new ATOM 0 HG23 THR A 51 -14.180 -3.514 5.966 1.00 0.00 H new ATOM 764 N LEU A 52 -13.545 -4.328 2.457 1.00 0.00 N ATOM 765 CA LEU A 52 -13.361 -5.660 1.862 1.00 0.00 C ATOM 766 C LEU A 52 -12.349 -6.423 2.741 1.00 0.00 C ATOM 767 O LEU A 52 -11.726 -5.849 3.637 1.00 0.00 O ATOM 768 CB LEU A 52 -12.894 -5.438 0.409 1.00 0.00 C ATOM 769 CG LEU A 52 -13.985 -4.840 -0.494 1.00 0.00 C ATOM 770 CD1 LEU A 52 -13.372 -4.541 -1.858 1.00 0.00 C ATOM 771 CD2 LEU A 52 -15.165 -5.800 -0.682 1.00 0.00 C ATOM 0 H LEU A 52 -12.675 -3.844 2.679 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.268 -6.264 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.029 -4.775 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.566 -6.390 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.363 -3.935 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.132 -4.116 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.554 -3.830 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.991 -5.464 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -15.912 -5.337 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -14.813 -6.724 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.611 -6.023 0.287 1.00 0.00 H new ATOM 783 N GLU A 53 -12.132 -7.712 2.475 1.00 0.00 N ATOM 784 CA GLU A 53 -11.286 -8.507 3.384 1.00 0.00 C ATOM 785 C GLU A 53 -9.855 -8.610 2.834 1.00 0.00 C ATOM 786 O GLU A 53 -9.476 -7.950 1.865 1.00 0.00 O ATOM 787 CB GLU A 53 -11.918 -9.901 3.540 1.00 0.00 C ATOM 788 CG GLU A 53 -13.279 -9.857 4.246 1.00 0.00 C ATOM 789 CD GLU A 53 -13.858 -11.256 4.414 1.00 0.00 C ATOM 790 OE1 GLU A 53 -14.584 -11.721 3.508 1.00 0.00 O ATOM 791 OE2 GLU A 53 -13.588 -11.900 5.451 1.00 0.00 O ATOM 0 H GLU A 53 -12.510 -8.217 1.673 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.227 -8.023 4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.038 -10.353 2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.241 -10.542 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.170 -9.386 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.970 -9.241 3.671 1.00 0.00 H new ATOM 798 N ASN A 54 -9.005 -9.271 3.614 1.00 0.00 N ATOM 799 CA ASN A 54 -7.555 -9.083 3.506 1.00 0.00 C ATOM 800 C ASN A 54 -6.899 -10.430 3.155 1.00 0.00 C ATOM 801 O ASN A 54 -6.234 -11.040 3.993 1.00 0.00 O ATOM 802 CB ASN A 54 -7.153 -8.534 4.895 1.00 0.00 C ATOM 803 CG ASN A 54 -7.801 -7.192 5.256 1.00 0.00 C ATOM 804 OD1 ASN A 54 -8.057 -6.342 4.405 1.00 0.00 O ATOM 805 ND2 ASN A 54 -8.061 -6.979 6.534 1.00 0.00 N ATOM 0 H ASN A 54 -9.291 -9.941 4.328 1.00 0.00 H new ATOM 0 HA ASN A 54 -7.235 -8.398 2.721 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -7.420 -9.269 5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.069 -8.421 4.928 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.481 -6.098 6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.842 -7.696 7.225 1.00 0.00 H new ATOM 812 N ALA A 55 -7.107 -10.927 1.927 1.00 0.00 N ATOM 813 CA ALA A 55 -6.687 -12.311 1.617 1.00 0.00 C ATOM 814 C ALA A 55 -6.413 -12.651 0.137 1.00 0.00 C ATOM 815 O ALA A 55 -5.253 -12.851 -0.227 1.00 0.00 O ATOM 816 CB ALA A 55 -7.692 -13.295 2.224 1.00 0.00 C ATOM 0 H ALA A 55 -7.545 -10.420 1.157 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.702 -12.405 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.384 -14.316 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.727 -13.159 3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.680 -13.112 1.803 1.00 0.00 H new ATOM 822 N LYS A 56 -7.441 -12.973 -0.650 1.00 0.00 N ATOM 823 CA LYS A 56 -7.224 -13.775 -1.869 1.00 0.00 C ATOM 824 C LYS A 56 -7.164 -13.005 -3.198 1.00 0.00 C ATOM 825 O LYS A 56 -7.782 -13.403 -4.185 1.00 0.00 O ATOM 826 CB LYS A 56 -8.239 -14.931 -1.905 1.00 0.00 C ATOM 827 CG LYS A 56 -9.723 -14.618 -2.194 1.00 0.00 C ATOM 828 CD LYS A 56 -10.392 -15.796 -2.908 1.00 0.00 C ATOM 829 CE LYS A 56 -11.845 -15.474 -3.260 1.00 0.00 C ATOM 830 NZ LYS A 56 -12.468 -16.614 -3.948 1.00 0.00 N ATOM 0 H LYS A 56 -8.409 -12.703 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.209 -14.163 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.900 -15.642 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.192 -15.440 -0.942 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.245 -14.408 -1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.798 -13.722 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.839 -16.036 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.356 -16.679 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.402 -15.239 -2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.885 -14.590 -3.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.455 -16.382 -4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.945 -16.820 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.446 -17.448 -3.327 1.00 0.00 H new ATOM 844 N TYR A 57 -6.437 -11.898 -3.233 1.00 0.00 N ATOM 845 CA TYR A 57 -6.484 -10.982 -4.393 1.00 0.00 C ATOM 846 C TYR A 57 -5.155 -10.967 -5.172 1.00 0.00 C ATOM 847 O TYR A 57 -4.818 -9.888 -5.654 1.00 0.00 O ATOM 848 CB TYR A 57 -6.900 -9.536 -4.074 1.00 0.00 C ATOM 849 CG TYR A 57 -8.066 -9.409 -3.092 1.00 0.00 C ATOM 850 CD1 TYR A 57 -9.177 -10.192 -3.209 1.00 0.00 C ATOM 851 CD2 TYR A 57 -7.996 -8.493 -2.089 1.00 0.00 C ATOM 852 CE1 TYR A 57 -10.186 -10.084 -2.306 1.00 0.00 C ATOM 853 CE2 TYR A 57 -9.020 -8.364 -1.208 1.00 0.00 C ATOM 854 CZ TYR A 57 -10.110 -9.168 -1.308 1.00 0.00 C ATOM 855 OH TYR A 57 -11.143 -9.039 -0.416 1.00 0.00 O ATOM 0 H TYR A 57 -5.809 -11.603 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.277 -11.402 -5.011 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -6.039 -9.006 -3.666 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.170 -9.036 -5.004 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.254 -10.899 -4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.122 -7.866 -1.993 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.050 -10.728 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.968 -7.621 -0.426 1.00 0.00 H new ATOM 0 HH TYR A 57 -10.821 -8.593 0.395 1.00 0.00 H new ATOM 865 N GLU A 58 -4.299 -11.999 -5.071 1.00 0.00 N ATOM 866 CA GLU A 58 -2.836 -11.867 -5.322 1.00 0.00 C ATOM 867 C GLU A 58 -2.381 -11.423 -6.739 1.00 0.00 C ATOM 868 O GLU A 58 -1.322 -11.820 -7.228 1.00 0.00 O ATOM 869 CB GLU A 58 -2.158 -13.224 -5.027 1.00 0.00 C ATOM 870 CG GLU A 58 -2.458 -13.783 -3.630 1.00 0.00 C ATOM 871 CD GLU A 58 -1.686 -15.070 -3.373 1.00 0.00 C ATOM 872 OE1 GLU A 58 -0.470 -14.999 -3.097 1.00 0.00 O ATOM 873 OE2 GLU A 58 -2.294 -16.161 -3.444 1.00 0.00 O ATOM 0 H GLU A 58 -4.589 -12.943 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.537 -11.053 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.481 -13.949 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.080 -13.111 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.196 -13.042 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.527 -13.972 -3.533 1.00 0.00 H new ATOM 880 N THR A 59 -3.080 -10.447 -7.310 1.00 0.00 N ATOM 881 CA THR A 59 -2.540 -9.638 -8.408 1.00 0.00 C ATOM 882 C THR A 59 -3.017 -8.202 -8.186 1.00 0.00 C ATOM 883 O THR A 59 -4.213 -7.913 -8.150 1.00 0.00 O ATOM 884 CB THR A 59 -2.918 -10.125 -9.818 1.00 0.00 C ATOM 885 OG1 THR A 59 -2.309 -9.283 -10.786 1.00 0.00 O ATOM 886 CG2 THR A 59 -4.410 -10.218 -10.118 1.00 0.00 C ATOM 0 H THR A 59 -4.028 -10.193 -7.031 1.00 0.00 H new ATOM 0 HA THR A 59 -1.454 -9.721 -8.382 1.00 0.00 H new ATOM 0 HB THR A 59 -2.551 -11.150 -9.864 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.547 -9.592 -11.685 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.555 -10.572 -11.139 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.878 -10.915 -9.423 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.865 -9.234 -10.007 1.00 0.00 H new ATOM 894 N VAL A 60 -2.064 -7.317 -7.937 1.00 0.00 N ATOM 895 CA VAL A 60 -2.392 -5.952 -7.508 1.00 0.00 C ATOM 896 C VAL A 60 -2.237 -5.187 -8.843 1.00 0.00 C ATOM 897 O VAL A 60 -1.243 -5.367 -9.553 1.00 0.00 O ATOM 898 CB VAL A 60 -1.381 -5.450 -6.433 1.00 0.00 C ATOM 899 CG1 VAL A 60 -0.650 -4.159 -6.797 1.00 0.00 C ATOM 900 CG2 VAL A 60 -2.056 -5.151 -5.090 1.00 0.00 C ATOM 0 H VAL A 60 -1.066 -7.509 -8.021 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.370 -5.838 -7.040 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.676 -6.279 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.031 -3.887 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.083 -4.308 -7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.376 -3.359 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.309 -4.805 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.812 -4.378 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.528 -6.057 -4.710 1.00 0.00 H new ATOM 910 N HIS A 61 -3.166 -4.313 -9.188 1.00 0.00 N ATOM 911 CA HIS A 61 -2.933 -3.380 -10.294 1.00 0.00 C ATOM 912 C HIS A 61 -3.097 -1.963 -9.713 1.00 0.00 C ATOM 913 O HIS A 61 -4.060 -1.698 -8.993 1.00 0.00 O ATOM 914 CB HIS A 61 -3.930 -3.742 -11.428 1.00 0.00 C ATOM 915 CG HIS A 61 -3.182 -4.493 -12.512 1.00 0.00 C ATOM 916 ND1 HIS A 61 -3.073 -5.876 -12.568 1.00 0.00 N ATOM 917 CD2 HIS A 61 -2.266 -3.892 -13.373 1.00 0.00 C ATOM 918 CE1 HIS A 61 -2.104 -5.972 -13.536 1.00 0.00 C ATOM 919 NE2 HIS A 61 -1.594 -4.843 -14.111 1.00 0.00 N ATOM 0 H HIS A 61 -4.075 -4.224 -8.733 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.937 -3.435 -10.734 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.742 -4.354 -11.036 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.381 -2.838 -11.837 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.565 -6.602 -12.047 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.105 -2.827 -13.451 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.744 -6.943 -13.844 1.00 0.00 H new ATOM 927 N TYR A 62 -2.185 -1.037 -10.027 1.00 0.00 N ATOM 928 CA TYR A 62 -2.314 0.349 -9.545 1.00 0.00 C ATOM 929 C TYR A 62 -2.378 1.208 -10.812 1.00 0.00 C ATOM 930 O TYR A 62 -1.395 1.357 -11.539 1.00 0.00 O ATOM 931 CB TYR A 62 -1.180 0.773 -8.596 1.00 0.00 C ATOM 932 CG TYR A 62 -1.608 1.636 -7.435 1.00 0.00 C ATOM 933 CD1 TYR A 62 -2.411 2.710 -7.638 1.00 0.00 C ATOM 934 CD2 TYR A 62 -1.143 1.363 -6.186 1.00 0.00 C ATOM 935 CE1 TYR A 62 -2.820 3.468 -6.590 1.00 0.00 C ATOM 936 CE2 TYR A 62 -1.557 2.113 -5.136 1.00 0.00 C ATOM 937 CZ TYR A 62 -2.400 3.160 -5.334 1.00 0.00 C ATOM 938 OH TYR A 62 -2.820 3.906 -4.270 1.00 0.00 O ATOM 0 H TYR A 62 -1.362 -1.214 -10.603 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.207 0.468 -8.932 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.700 -0.124 -8.205 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.428 1.312 -9.172 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.726 2.963 -8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.447 0.552 -6.032 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.475 4.311 -6.752 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.216 1.878 -4.139 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.156 3.853 -3.551 1.00 0.00 H new ATOM 948 N LEU A 63 -3.546 1.781 -11.067 1.00 0.00 N ATOM 949 CA LEU A 63 -3.697 2.771 -12.120 1.00 0.00 C ATOM 950 C LEU A 63 -3.636 4.200 -11.562 1.00 0.00 C ATOM 951 O LEU A 63 -4.474 4.631 -10.771 1.00 0.00 O ATOM 952 CB LEU A 63 -5.096 2.425 -12.652 1.00 0.00 C ATOM 953 CG LEU A 63 -5.430 3.053 -13.991 1.00 0.00 C ATOM 954 CD1 LEU A 63 -4.555 2.400 -15.059 1.00 0.00 C ATOM 955 CD2 LEU A 63 -6.906 2.747 -14.215 1.00 0.00 C ATOM 0 H LEU A 63 -4.405 1.575 -10.556 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.914 2.746 -12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.180 1.342 -12.741 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.839 2.743 -11.920 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.249 4.127 -14.029 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.780 2.838 -16.031 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.505 2.566 -14.820 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.755 1.329 -15.089 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.225 3.170 -15.168 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.056 1.667 -14.229 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.495 3.184 -13.409 1.00 0.00 H new ATOM 967 N THR A 64 -2.586 4.910 -11.958 1.00 0.00 N ATOM 968 CA THR A 64 -2.254 6.214 -11.360 1.00 0.00 C ATOM 969 C THR A 64 -1.579 7.028 -12.487 1.00 0.00 C ATOM 970 O THR A 64 -0.939 6.436 -13.359 1.00 0.00 O ATOM 971 CB THR A 64 -1.305 5.978 -10.169 1.00 0.00 C ATOM 972 OG1 THR A 64 -1.867 5.014 -9.297 1.00 0.00 O ATOM 973 CG2 THR A 64 -1.120 7.250 -9.354 1.00 0.00 C ATOM 0 H THR A 64 -1.944 4.611 -12.692 1.00 0.00 H new ATOM 0 HA THR A 64 -3.122 6.752 -10.979 1.00 0.00 H new ATOM 0 HB THR A 64 -0.349 5.647 -10.575 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.235 4.275 -9.175 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.446 7.053 -8.521 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.696 8.029 -9.987 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.085 7.580 -8.970 1.00 0.00 H new ATOM 981 N PRO A 65 -1.593 8.369 -12.481 1.00 0.00 N ATOM 982 CA PRO A 65 -0.787 9.166 -13.419 1.00 0.00 C ATOM 983 C PRO A 65 0.689 8.748 -13.486 1.00 0.00 C ATOM 984 O PRO A 65 1.384 8.670 -12.473 1.00 0.00 O ATOM 985 CB PRO A 65 -0.941 10.574 -12.840 1.00 0.00 C ATOM 986 CG PRO A 65 -2.313 10.574 -12.170 1.00 0.00 C ATOM 987 CD PRO A 65 -2.491 9.156 -11.633 1.00 0.00 C ATOM 0 HA PRO A 65 -1.119 9.053 -14.451 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.151 10.795 -12.123 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.883 11.331 -13.622 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.360 11.309 -11.366 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.099 10.828 -12.881 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.217 9.086 -10.580 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.524 8.819 -11.717 1.00 0.00 H new ATOM 1104 N PHE A 73 3.734 7.817 -2.641 1.00 0.00 N ATOM 1105 CA PHE A 73 2.668 6.942 -2.129 1.00 0.00 C ATOM 1106 C PHE A 73 3.071 6.642 -0.685 1.00 0.00 C ATOM 1107 O PHE A 73 4.267 6.517 -0.405 1.00 0.00 O ATOM 1108 CB PHE A 73 2.643 5.701 -3.049 1.00 0.00 C ATOM 1109 CG PHE A 73 1.797 4.499 -2.651 1.00 0.00 C ATOM 1110 CD1 PHE A 73 0.504 4.639 -2.250 1.00 0.00 C ATOM 1111 CD2 PHE A 73 2.314 3.247 -2.811 1.00 0.00 C ATOM 1112 CE1 PHE A 73 -0.259 3.548 -2.002 1.00 0.00 C ATOM 1113 CE2 PHE A 73 1.534 2.157 -2.609 1.00 0.00 C ATOM 1114 CZ PHE A 73 0.263 2.308 -2.170 1.00 0.00 C ATOM 0 HA PHE A 73 1.662 7.361 -2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.306 6.028 -4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.671 5.356 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.084 5.626 -2.129 1.00 0.00 H new ATOM 0 HD2 PHE A 73 3.347 3.124 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.280 3.665 -1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.927 1.169 -2.798 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.338 1.437 -1.953 1.00 0.00 H new ATOM 1124 N PRO A 74 2.148 6.428 0.259 1.00 0.00 N ATOM 1125 CA PRO A 74 2.581 6.281 1.648 1.00 0.00 C ATOM 1126 C PRO A 74 3.055 4.852 1.903 1.00 0.00 C ATOM 1127 O PRO A 74 2.572 3.894 1.296 1.00 0.00 O ATOM 1128 CB PRO A 74 1.328 6.647 2.437 1.00 0.00 C ATOM 1129 CG PRO A 74 0.445 7.447 1.489 1.00 0.00 C ATOM 1130 CD PRO A 74 0.743 6.842 0.127 1.00 0.00 C ATOM 0 HA PRO A 74 3.429 6.906 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.813 5.752 2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.582 7.233 3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.610 7.352 1.748 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.686 8.510 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.091 5.997 -0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.608 7.566 -0.676 1.00 0.00 H new ATOM 1138 N LYS A 75 4.004 4.714 2.819 1.00 0.00 N ATOM 1139 CA LYS A 75 4.480 3.369 3.183 1.00 0.00 C ATOM 1140 C LYS A 75 3.382 2.483 3.807 1.00 0.00 C ATOM 1141 O LYS A 75 3.347 1.271 3.588 1.00 0.00 O ATOM 1142 CB LYS A 75 5.691 3.455 4.122 1.00 0.00 C ATOM 1143 CG LYS A 75 6.914 4.082 3.444 1.00 0.00 C ATOM 1144 CD LYS A 75 8.124 4.092 4.380 1.00 0.00 C ATOM 1145 CE LYS A 75 9.350 4.692 3.687 1.00 0.00 C ATOM 1146 NZ LYS A 75 10.503 4.691 4.600 1.00 0.00 N ATOM 0 H LYS A 75 4.453 5.484 3.315 1.00 0.00 H new ATOM 0 HA LYS A 75 4.778 2.890 2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.425 4.043 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.947 2.455 4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.156 3.525 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.680 5.102 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.890 4.668 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.346 3.075 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.587 4.119 2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.133 5.711 3.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.328 5.101 4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.279 5.257 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.719 3.715 4.886 1.00 0.00 H new ATOM 1160 N LYS A 76 2.494 3.088 4.598 1.00 0.00 N ATOM 1161 CA LYS A 76 1.411 2.332 5.254 1.00 0.00 C ATOM 1162 C LYS A 76 0.475 1.614 4.269 1.00 0.00 C ATOM 1163 O LYS A 76 0.024 0.505 4.557 1.00 0.00 O ATOM 1164 CB LYS A 76 0.579 3.273 6.139 1.00 0.00 C ATOM 1165 CG LYS A 76 1.383 3.854 7.309 1.00 0.00 C ATOM 1166 CD LYS A 76 0.506 4.752 8.186 1.00 0.00 C ATOM 1167 CE LYS A 76 1.304 5.331 9.355 1.00 0.00 C ATOM 1168 NZ LYS A 76 0.442 6.185 10.188 1.00 0.00 N ATOM 0 H LYS A 76 2.497 4.087 4.802 1.00 0.00 H new ATOM 0 HA LYS A 76 1.898 1.561 5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.191 4.089 5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.282 2.730 6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.795 3.043 7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.227 4.427 6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.096 5.563 7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.339 4.179 8.567 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.718 4.523 9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.146 5.911 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.996 6.572 10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.067 6.966 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.348 5.621 10.562 1.00 0.00 H new ATOM 1182 N LEU A 77 0.194 2.205 3.108 1.00 0.00 N ATOM 1183 CA LEU A 77 -0.695 1.522 2.142 1.00 0.00 C ATOM 1184 C LEU A 77 0.052 0.393 1.402 1.00 0.00 C ATOM 1185 O LEU A 77 -0.560 -0.631 1.096 1.00 0.00 O ATOM 1186 CB LEU A 77 -1.368 2.453 1.112 1.00 0.00 C ATOM 1187 CG LEU A 77 -2.463 3.368 1.673 1.00 0.00 C ATOM 1188 CD1 LEU A 77 -1.941 4.408 2.667 1.00 0.00 C ATOM 1189 CD2 LEU A 77 -3.190 4.102 0.543 1.00 0.00 C ATOM 0 H LEU A 77 0.546 3.115 2.813 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.498 1.110 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.600 3.074 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.800 1.840 0.321 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.145 2.707 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.770 5.020 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.475 3.902 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.205 5.044 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.962 4.745 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.477 4.709 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.649 3.375 -0.127 1.00 0.00 H new ATOM 1201 N ILE A 78 1.367 0.498 1.185 1.00 0.00 N ATOM 1202 CA ILE A 78 2.163 -0.639 0.715 1.00 0.00 C ATOM 1203 C ILE A 78 2.138 -1.801 1.741 1.00 0.00 C ATOM 1204 O ILE A 78 2.068 -2.964 1.339 1.00 0.00 O ATOM 1205 CB ILE A 78 3.577 -0.079 0.452 1.00 0.00 C ATOM 1206 CG1 ILE A 78 3.658 1.001 -0.631 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.551 -1.206 0.143 1.00 0.00 C ATOM 1208 CD1 ILE A 78 5.015 1.710 -0.690 1.00 0.00 C ATOM 0 H ILE A 78 1.901 1.356 1.327 1.00 0.00 H new ATOM 0 HA ILE A 78 1.762 -1.077 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 78 3.857 0.421 1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.452 0.548 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.878 1.741 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.542 -0.791 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.595 -1.891 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.215 -1.745 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.999 2.461 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.215 2.193 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.798 0.981 -0.899 1.00 0.00 H new ATOM 1220 N SER A 79 2.171 -1.521 3.052 1.00 0.00 N ATOM 1221 CA SER A 79 2.055 -2.598 4.051 1.00 0.00 C ATOM 1222 C SER A 79 0.659 -3.246 4.064 1.00 0.00 C ATOM 1223 O SER A 79 0.550 -4.458 4.234 1.00 0.00 O ATOM 1224 CB SER A 79 2.389 -2.040 5.438 1.00 0.00 C ATOM 1225 OG SER A 79 3.718 -1.534 5.461 1.00 0.00 O ATOM 0 H SER A 79 2.274 -0.584 3.440 1.00 0.00 H new ATOM 0 HA SER A 79 2.763 -3.380 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.687 -1.248 5.697 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.278 -2.823 6.188 1.00 0.00 H new ATOM 0 HG SER A 79 3.918 -1.179 6.352 1.00 0.00 H new ATOM 1231 N VAL A 80 -0.402 -2.463 3.871 1.00 0.00 N ATOM 1232 CA VAL A 80 -1.763 -3.029 3.774 1.00 0.00 C ATOM 1233 C VAL A 80 -1.910 -3.960 2.556 1.00 0.00 C ATOM 1234 O VAL A 80 -2.519 -5.023 2.680 1.00 0.00 O ATOM 1235 CB VAL A 80 -2.811 -1.894 3.769 1.00 0.00 C ATOM 1236 CG1 VAL A 80 -4.234 -2.412 3.527 1.00 0.00 C ATOM 1237 CG2 VAL A 80 -2.814 -1.140 5.104 1.00 0.00 C ATOM 0 H VAL A 80 -0.356 -1.448 3.779 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.941 -3.648 4.653 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.524 -1.232 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.932 -1.575 3.533 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.279 -2.915 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.504 -3.115 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.561 -0.347 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.053 -1.832 5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.830 -0.705 5.278 1.00 0.00 H new ATOM 1247 N LEU A 81 -1.360 -3.608 1.390 1.00 0.00 N ATOM 1248 CA LEU A 81 -1.365 -4.547 0.260 1.00 0.00 C ATOM 1249 C LEU A 81 -0.544 -5.817 0.550 1.00 0.00 C ATOM 1250 O LEU A 81 -0.977 -6.917 0.205 1.00 0.00 O ATOM 1251 CB LEU A 81 -0.841 -3.877 -1.023 1.00 0.00 C ATOM 1252 CG LEU A 81 -1.828 -3.008 -1.830 1.00 0.00 C ATOM 1253 CD1 LEU A 81 -3.208 -3.653 -1.999 1.00 0.00 C ATOM 1254 CD2 LEU A 81 -1.961 -1.604 -1.241 1.00 0.00 C ATOM 0 H LEU A 81 -0.918 -2.708 1.204 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.404 -4.843 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.011 -3.254 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.467 -4.660 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.394 -2.926 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.852 -2.989 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.104 -4.603 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.651 -3.827 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.665 -1.024 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.325 -1.672 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.988 -1.113 -1.248 1.00 0.00 H new ATOM 1266 N ALA A 82 0.625 -5.697 1.185 1.00 0.00 N ATOM 1267 CA ALA A 82 1.383 -6.891 1.587 1.00 0.00 C ATOM 1268 C ALA A 82 0.683 -7.741 2.663 1.00 0.00 C ATOM 1269 O ALA A 82 0.881 -8.955 2.723 1.00 0.00 O ATOM 1270 CB ALA A 82 2.741 -6.413 2.108 1.00 0.00 C ATOM 0 H ALA A 82 1.062 -4.808 1.429 1.00 0.00 H new ATOM 0 HA ALA A 82 1.478 -7.541 0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.335 -7.273 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.265 -5.875 1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.591 -5.750 2.960 1.00 0.00 H new ATOM 1276 N ASP A 83 -0.115 -7.110 3.526 1.00 0.00 N ATOM 1277 CA ASP A 83 -0.812 -7.852 4.595 1.00 0.00 C ATOM 1278 C ASP A 83 -2.130 -8.505 4.152 1.00 0.00 C ATOM 1279 O ASP A 83 -2.703 -9.321 4.876 1.00 0.00 O ATOM 1280 CB ASP A 83 -1.065 -6.942 5.807 1.00 0.00 C ATOM 1281 CG ASP A 83 0.214 -6.497 6.514 1.00 0.00 C ATOM 1282 OD1 ASP A 83 1.136 -7.326 6.683 1.00 0.00 O ATOM 1283 OD2 ASP A 83 0.297 -5.316 6.916 1.00 0.00 O ATOM 0 H ASP A 83 -0.297 -6.106 3.513 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.142 -8.667 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.615 -6.060 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.700 -7.468 6.520 1.00 0.00 H new ATOM 1288 N SER A 84 -2.594 -8.173 2.956 1.00 0.00 N ATOM 1289 CA SER A 84 -3.728 -8.897 2.363 1.00 0.00 C ATOM 1290 C SER A 84 -3.302 -10.169 1.626 1.00 0.00 C ATOM 1291 O SER A 84 -4.153 -11.008 1.346 1.00 0.00 O ATOM 1292 CB SER A 84 -4.524 -7.997 1.414 1.00 0.00 C ATOM 1293 OG SER A 84 -4.908 -6.794 2.066 1.00 0.00 O ATOM 0 H SER A 84 -2.216 -7.421 2.379 1.00 0.00 H new ATOM 0 HA SER A 84 -4.362 -9.195 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.922 -7.764 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.410 -8.525 1.062 1.00 0.00 H new ATOM 0 HG SER A 84 -4.112 -6.252 2.248 1.00 0.00 H new ATOM 1299 N LEU A 85 -2.032 -10.334 1.259 1.00 0.00 N ATOM 1300 CA LEU A 85 -1.688 -11.356 0.271 1.00 0.00 C ATOM 1301 C LEU A 85 -0.700 -12.386 0.833 1.00 0.00 C ATOM 1302 O LEU A 85 -0.166 -12.266 1.937 1.00 0.00 O ATOM 1303 CB LEU A 85 -1.075 -10.610 -0.926 1.00 0.00 C ATOM 1304 CG LEU A 85 -1.994 -9.565 -1.591 1.00 0.00 C ATOM 1305 CD1 LEU A 85 -1.279 -8.953 -2.799 1.00 0.00 C ATOM 1306 CD2 LEU A 85 -3.338 -10.159 -2.024 1.00 0.00 C ATOM 0 H LEU A 85 -1.246 -9.792 1.617 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.575 -11.919 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.165 -10.111 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.781 -11.342 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.209 -8.795 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.928 -8.214 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.358 -8.471 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.042 -9.738 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.947 -9.382 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.167 -10.961 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.858 -10.557 -1.152 1.00 0.00 H new ATOM 1318 N LYS A 86 -0.509 -13.438 0.048 1.00 0.00 N ATOM 1319 CA LYS A 86 0.228 -14.629 0.489 1.00 0.00 C ATOM 1320 C LYS A 86 1.574 -14.595 -0.287 1.00 0.00 C ATOM 1321 O LYS A 86 1.941 -13.533 -0.796 1.00 0.00 O ATOM 1322 CB LYS A 86 -0.715 -15.839 0.281 1.00 0.00 C ATOM 1323 CG LYS A 86 -2.166 -15.610 0.739 1.00 0.00 C ATOM 1324 CD LYS A 86 -3.016 -16.874 0.591 1.00 0.00 C ATOM 1325 CE LYS A 86 -4.461 -16.617 1.026 1.00 0.00 C ATOM 1326 NZ LYS A 86 -5.263 -17.842 0.883 1.00 0.00 N ATOM 0 H LYS A 86 -0.856 -13.496 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 86 0.504 -14.687 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.719 -16.101 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.309 -16.695 0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.172 -15.288 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.609 -14.804 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.999 -17.209 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.589 -17.676 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.481 -16.280 2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.893 -15.819 0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.241 -17.653 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.257 -18.147 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.858 -18.593 1.478 1.00 0.00 H new ATOM 1340 N PRO A 87 2.393 -15.653 -0.382 1.00 0.00 N ATOM 1341 CA PRO A 87 3.753 -15.536 -0.940 1.00 0.00 C ATOM 1342 C PRO A 87 3.781 -15.105 -2.417 1.00 0.00 C ATOM 1343 O PRO A 87 4.761 -14.513 -2.870 1.00 0.00 O ATOM 1344 CB PRO A 87 4.375 -16.908 -0.661 1.00 0.00 C ATOM 1345 CG PRO A 87 3.211 -17.837 -0.322 1.00 0.00 C ATOM 1346 CD PRO A 87 2.117 -16.933 0.246 1.00 0.00 C ATOM 0 HA PRO A 87 4.328 -14.733 -0.479 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.924 -17.271 -1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.084 -16.854 0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.861 -18.367 -1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 87 3.511 -18.593 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 87 1.121 -17.299 -0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.170 -16.869 1.333 1.00 0.00 H new ATOM 1354 N ASN A 88 2.757 -15.448 -3.196 1.00 0.00 N ATOM 1355 CA ASN A 88 2.820 -15.239 -4.658 1.00 0.00 C ATOM 1356 C ASN A 88 1.997 -13.980 -5.001 1.00 0.00 C ATOM 1357 O ASN A 88 1.283 -13.932 -6.004 1.00 0.00 O ATOM 1358 CB ASN A 88 2.325 -16.472 -5.447 1.00 0.00 C ATOM 1359 CG ASN A 88 3.016 -17.771 -5.036 1.00 0.00 C ATOM 1360 OD1 ASN A 88 2.445 -18.616 -4.348 1.00 0.00 O ATOM 1361 ND2 ASN A 88 4.258 -17.947 -5.454 1.00 0.00 N ATOM 0 H ASN A 88 1.889 -15.863 -2.859 1.00 0.00 H new ATOM 0 HA ASN A 88 3.859 -15.096 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.250 -16.579 -5.303 1.00 0.00 H new ATOM 0 HB3 ASN A 88 2.488 -16.303 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.764 -18.798 -5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.711 -17.232 -6.024 1.00 0.00 H new ATOM 1368 N GLY A 89 2.123 -12.937 -4.173 1.00 0.00 N ATOM 1369 CA GLY A 89 1.515 -11.640 -4.482 1.00 0.00 C ATOM 1370 C GLY A 89 2.388 -10.932 -5.501 1.00 0.00 C ATOM 1371 O GLY A 89 3.603 -11.107 -5.506 1.00 0.00 O ATOM 0 H GLY A 89 2.636 -12.965 -3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.508 -11.778 -4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.424 -11.039 -3.577 1.00 0.00 H new ATOM 1375 N SER A 90 1.779 -10.175 -6.396 1.00 0.00 N ATOM 1376 CA SER A 90 2.553 -9.590 -7.495 1.00 0.00 C ATOM 1377 C SER A 90 1.912 -8.238 -7.818 1.00 0.00 C ATOM 1378 O SER A 90 0.762 -8.120 -8.241 1.00 0.00 O ATOM 1379 CB SER A 90 2.592 -10.544 -8.685 1.00 0.00 C ATOM 1380 OG SER A 90 3.140 -9.902 -9.828 1.00 0.00 O ATOM 0 H SER A 90 0.784 -9.951 -6.394 1.00 0.00 H new ATOM 0 HA SER A 90 3.596 -9.430 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.188 -11.421 -8.434 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.585 -10.896 -8.908 1.00 0.00 H new ATOM 0 HG SER A 90 3.158 -10.531 -10.579 1.00 0.00 H new ATOM 1386 N LEU A 91 2.728 -7.225 -7.617 1.00 0.00 N ATOM 1387 CA LEU A 91 2.325 -5.834 -7.712 1.00 0.00 C ATOM 1388 C LEU A 91 2.532 -5.399 -9.158 1.00 0.00 C ATOM 1389 O LEU A 91 3.515 -5.825 -9.762 1.00 0.00 O ATOM 1390 CB LEU A 91 3.350 -5.095 -6.824 1.00 0.00 C ATOM 1391 CG LEU A 91 2.868 -3.706 -6.419 1.00 0.00 C ATOM 1392 CD1 LEU A 91 2.527 -3.645 -4.927 1.00 0.00 C ATOM 1393 CD2 LEU A 91 3.926 -2.652 -6.740 1.00 0.00 C ATOM 0 H LEU A 91 3.712 -7.346 -7.378 1.00 0.00 H new ATOM 0 HA LEU A 91 1.293 -5.648 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.544 -5.685 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.295 -5.008 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 91 1.964 -3.498 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.187 -2.641 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.738 -4.363 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.414 -3.887 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.562 -1.669 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.843 -2.879 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.130 -2.655 -7.811 1.00 0.00 H new ATOM 1405 N ILE A 92 1.676 -4.551 -9.724 1.00 0.00 N ATOM 1406 CA ILE A 92 1.998 -3.967 -11.039 1.00 0.00 C ATOM 1407 C ILE A 92 1.862 -2.465 -10.953 1.00 0.00 C ATOM 1408 O ILE A 92 0.790 -1.885 -11.141 1.00 0.00 O ATOM 1409 CB ILE A 92 1.117 -4.519 -12.157 1.00 0.00 C ATOM 1410 CG1 ILE A 92 1.310 -6.027 -12.332 1.00 0.00 C ATOM 1411 CG2 ILE A 92 1.368 -3.802 -13.497 1.00 0.00 C ATOM 1412 CD1 ILE A 92 2.754 -6.329 -12.708 1.00 0.00 C ATOM 0 H ILE A 92 0.787 -4.257 -9.319 1.00 0.00 H new ATOM 0 HA ILE A 92 3.023 -4.241 -11.290 1.00 0.00 H new ATOM 0 HB ILE A 92 0.086 -4.331 -11.857 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.051 -6.544 -11.408 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.639 -6.400 -13.106 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.720 -4.227 -14.264 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.152 -2.739 -13.387 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.410 -3.932 -13.790 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.881 -7.405 -12.830 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.999 -5.826 -13.643 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.417 -5.973 -11.920 1.00 0.00 H new ATOM 1424 N GLY A 93 2.970 -1.862 -10.577 1.00 0.00 N ATOM 1425 CA GLY A 93 2.930 -0.427 -10.337 1.00 0.00 C ATOM 1426 C GLY A 93 4.106 0.451 -10.688 1.00 0.00 C ATOM 1427 O GLY A 93 4.047 1.283 -11.592 1.00 0.00 O ATOM 0 H GLY A 93 3.873 -2.314 -10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.067 -0.037 -10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.732 -0.286 -9.274 1.00 0.00 H new ATOM 1431 N LEU A 94 5.124 0.389 -9.846 1.00 0.00 N ATOM 1432 CA LEU A 94 5.685 1.634 -9.325 1.00 0.00 C ATOM 1433 C LEU A 94 7.130 1.785 -9.817 1.00 0.00 C ATOM 1434 O LEU A 94 7.705 0.913 -10.470 1.00 0.00 O ATOM 1435 CB LEU A 94 5.760 1.418 -7.799 1.00 0.00 C ATOM 1436 CG LEU A 94 4.551 1.658 -6.873 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.209 1.196 -7.359 1.00 0.00 C ATOM 1438 CD2 LEU A 94 4.791 0.961 -5.535 1.00 0.00 C ATOM 0 H LEU A 94 5.567 -0.469 -9.517 1.00 0.00 H new ATOM 0 HA LEU A 94 5.097 2.500 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.073 0.385 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.566 2.053 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 94 4.496 2.745 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.451 1.427 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.965 1.705 -8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.234 0.120 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.937 1.129 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.917 -0.109 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.691 1.365 -5.071 1.00 0.00 H new ATOM 1450 N SER A 95 7.665 2.976 -9.580 1.00 0.00 N ATOM 1451 CA SER A 95 8.799 3.455 -10.396 1.00 0.00 C ATOM 1452 C SER A 95 10.047 3.754 -9.532 1.00 0.00 C ATOM 1453 O SER A 95 10.578 2.822 -8.927 1.00 0.00 O ATOM 1454 CB SER A 95 8.316 4.581 -11.331 1.00 0.00 C ATOM 1455 OG SER A 95 6.966 4.379 -11.735 1.00 0.00 O ATOM 0 H SER A 95 7.351 3.620 -8.854 1.00 0.00 H new ATOM 0 HA SER A 95 9.159 2.668 -11.058 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.405 5.541 -10.823 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.958 4.625 -12.211 1.00 0.00 H new ATOM 0 HG SER A 95 6.688 5.110 -12.326 1.00 0.00 H new ATOM 1461 N ASP A 96 10.597 4.979 -9.504 1.00 0.00 N ATOM 1462 CA ASP A 96 12.004 5.144 -9.075 1.00 0.00 C ATOM 1463 C ASP A 96 12.245 5.139 -7.559 1.00 0.00 C ATOM 1464 O ASP A 96 13.069 4.359 -7.081 1.00 0.00 O ATOM 1465 CB ASP A 96 12.617 6.397 -9.725 1.00 0.00 C ATOM 1466 CG ASP A 96 12.638 6.320 -11.249 1.00 0.00 C ATOM 1467 OD1 ASP A 96 13.537 5.654 -11.807 1.00 0.00 O ATOM 1468 OD2 ASP A 96 11.756 6.926 -11.896 1.00 0.00 O ATOM 0 H ASP A 96 10.116 5.841 -9.761 1.00 0.00 H new ATOM 0 HA ASP A 96 12.511 4.246 -9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.049 7.275 -9.418 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.635 6.531 -9.358 1.00 0.00 H new ATOM 1473 N ILE A 97 11.556 5.981 -6.784 1.00 0.00 N ATOM 1474 CA ILE A 97 11.674 5.908 -5.300 1.00 0.00 C ATOM 1475 C ILE A 97 11.265 4.521 -4.757 1.00 0.00 C ATOM 1476 O ILE A 97 11.707 4.008 -3.718 1.00 0.00 O ATOM 1477 CB ILE A 97 10.780 6.990 -4.638 1.00 0.00 C ATOM 1478 CG1 ILE A 97 10.948 8.335 -5.358 1.00 0.00 C ATOM 1479 CG2 ILE A 97 11.091 7.107 -3.142 1.00 0.00 C ATOM 1480 CD1 ILE A 97 10.226 9.509 -4.691 1.00 0.00 C ATOM 0 H ILE A 97 10.926 6.704 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 97 12.721 6.081 -5.052 1.00 0.00 H new ATOM 0 HB ILE A 97 9.736 6.690 -4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 97 12.011 8.568 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.582 8.234 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.454 7.871 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.904 6.150 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 97 12.137 7.384 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 97 10.400 10.418 -5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 97 9.156 9.303 -4.652 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.607 9.643 -3.679 1.00 0.00 H new ATOM 1492 N TYR A 98 10.355 3.926 -5.503 1.00 0.00 N ATOM 1493 CA TYR A 98 9.646 2.763 -5.027 1.00 0.00 C ATOM 1494 C TYR A 98 10.527 1.495 -5.111 1.00 0.00 C ATOM 1495 O TYR A 98 10.269 0.532 -4.400 1.00 0.00 O ATOM 1496 CB TYR A 98 8.339 2.667 -5.795 1.00 0.00 C ATOM 1497 CG TYR A 98 7.524 3.956 -5.792 1.00 0.00 C ATOM 1498 CD1 TYR A 98 6.825 4.326 -4.685 1.00 0.00 C ATOM 1499 CD2 TYR A 98 7.484 4.738 -6.901 1.00 0.00 C ATOM 1500 CE1 TYR A 98 6.044 5.437 -4.718 1.00 0.00 C ATOM 1501 CE2 TYR A 98 6.672 5.821 -6.949 1.00 0.00 C ATOM 1502 CZ TYR A 98 5.950 6.173 -5.855 1.00 0.00 C ATOM 1503 OH TYR A 98 5.134 7.274 -5.892 1.00 0.00 O ATOM 0 H TYR A 98 10.092 4.231 -6.440 1.00 0.00 H new ATOM 0 HA TYR A 98 9.407 2.855 -3.967 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.555 2.388 -6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.736 1.866 -5.367 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.891 3.738 -3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 98 8.104 4.495 -7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 98 5.496 5.736 -3.837 1.00 0.00 H new ATOM 0 HE2 TYR A 98 6.599 6.403 -7.856 1.00 0.00 H new ATOM 0 HH TYR A 98 5.183 7.688 -6.779 1.00 0.00 H new ATOM 1513 N LYS A 99 11.585 1.477 -5.933 1.00 0.00 N ATOM 1514 CA LYS A 99 12.541 0.347 -5.937 1.00 0.00 C ATOM 1515 C LYS A 99 13.107 0.051 -4.535 1.00 0.00 C ATOM 1516 O LYS A 99 12.991 -1.067 -4.025 1.00 0.00 O ATOM 1517 CB LYS A 99 13.708 0.657 -6.889 1.00 0.00 C ATOM 1518 CG LYS A 99 13.288 0.728 -8.361 1.00 0.00 C ATOM 1519 CD LYS A 99 14.475 1.090 -9.260 1.00 0.00 C ATOM 1520 CE LYS A 99 14.122 1.065 -10.750 1.00 0.00 C ATOM 1521 NZ LYS A 99 13.128 2.097 -11.091 1.00 0.00 N ATOM 0 H LYS A 99 11.804 2.219 -6.598 1.00 0.00 H new ATOM 0 HA LYS A 99 11.993 -0.534 -6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.160 1.606 -6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.475 -0.109 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 99 12.874 -0.232 -8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 99 12.498 1.470 -8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.837 2.083 -8.994 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.292 0.393 -9.073 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.025 1.220 -11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.732 0.082 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.914 2.050 -12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.258 1.934 -10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.510 3.037 -10.861 1.00 0.00 H new ATOM 1535 N VAL A 100 13.695 1.060 -3.893 1.00 0.00 N ATOM 1536 CA VAL A 100 14.143 0.911 -2.493 1.00 0.00 C ATOM 1537 C VAL A 100 12.954 0.672 -1.536 1.00 0.00 C ATOM 1538 O VAL A 100 13.084 -0.053 -0.547 1.00 0.00 O ATOM 1539 CB VAL A 100 14.966 2.148 -2.072 1.00 0.00 C ATOM 1540 CG1 VAL A 100 15.484 2.023 -0.635 1.00 0.00 C ATOM 1541 CG2 VAL A 100 16.176 2.364 -2.992 1.00 0.00 C ATOM 0 H VAL A 100 13.874 1.977 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 100 14.780 0.029 -2.428 1.00 0.00 H new ATOM 0 HB VAL A 100 14.287 2.997 -2.147 1.00 0.00 H new ATOM 0 HG11 VAL A 100 16.058 2.913 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.641 1.924 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 100 16.122 1.143 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.730 3.243 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 100 16.825 1.490 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.833 2.513 -4.016 1.00 0.00 H new ATOM 1551 N ASP A 101 11.790 1.252 -1.833 1.00 0.00 N ATOM 1552 CA ASP A 101 10.579 0.948 -1.051 1.00 0.00 C ATOM 1553 C ASP A 101 10.185 -0.537 -1.107 1.00 0.00 C ATOM 1554 O ASP A 101 9.857 -1.133 -0.083 1.00 0.00 O ATOM 1555 CB ASP A 101 9.438 1.805 -1.609 1.00 0.00 C ATOM 1556 CG ASP A 101 8.802 2.721 -0.573 1.00 0.00 C ATOM 1557 OD1 ASP A 101 8.124 2.212 0.346 1.00 0.00 O ATOM 1558 OD2 ASP A 101 8.978 3.956 -0.670 1.00 0.00 O ATOM 0 H ASP A 101 11.655 1.921 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 101 10.780 1.173 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.818 2.410 -2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.671 1.150 -2.022 1.00 0.00 H new ATOM 1563 N ALA A 102 10.236 -1.136 -2.294 1.00 0.00 N ATOM 1564 CA ALA A 102 10.023 -2.579 -2.444 1.00 0.00 C ATOM 1565 C ALA A 102 11.049 -3.393 -1.651 1.00 0.00 C ATOM 1566 O ALA A 102 10.709 -4.402 -1.035 1.00 0.00 O ATOM 1567 CB ALA A 102 10.210 -2.879 -3.926 1.00 0.00 C ATOM 0 H ALA A 102 10.423 -0.646 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 102 9.034 -2.848 -2.073 1.00 0.00 H new ATOM 0 HB1 ALA A 102 10.063 -3.945 -4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.483 -2.311 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 102 11.218 -2.596 -4.230 1.00 0.00 H new ATOM 1573 N LEU A 103 12.310 -2.956 -1.659 1.00 0.00 N ATOM 1574 CA LEU A 103 13.362 -3.674 -0.917 1.00 0.00 C ATOM 1575 C LEU A 103 13.049 -3.792 0.580 1.00 0.00 C ATOM 1576 O LEU A 103 13.180 -4.854 1.188 1.00 0.00 O ATOM 1577 CB LEU A 103 14.689 -2.908 -1.081 1.00 0.00 C ATOM 1578 CG LEU A 103 15.937 -3.782 -0.887 1.00 0.00 C ATOM 1579 CD1 LEU A 103 16.101 -4.795 -2.026 1.00 0.00 C ATOM 1580 CD2 LEU A 103 17.180 -2.892 -0.819 1.00 0.00 C ATOM 0 H LEU A 103 12.629 -2.126 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 103 13.425 -4.683 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 103 14.720 -2.462 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 103 14.716 -2.088 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 103 15.817 -4.335 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 103 16.995 -5.395 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 103 15.228 -5.447 -2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 103 16.197 -4.265 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 103 18.065 -3.513 -0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 103 17.274 -2.327 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 103 17.088 -2.201 0.019 1.00 0.00 H new ATOM 1592 N ILE A 104 12.687 -2.658 1.165 1.00 0.00 N ATOM 1593 CA ILE A 104 12.573 -2.552 2.626 1.00 0.00 C ATOM 1594 C ILE A 104 11.258 -3.126 3.171 1.00 0.00 C ATOM 1595 O ILE A 104 11.224 -3.758 4.229 1.00 0.00 O ATOM 1596 CB ILE A 104 12.829 -1.069 2.935 1.00 0.00 C ATOM 1597 CG1 ILE A 104 13.461 -0.912 4.327 1.00 0.00 C ATOM 1598 CG2 ILE A 104 11.587 -0.176 2.783 1.00 0.00 C ATOM 1599 CD1 ILE A 104 13.995 0.499 4.583 1.00 0.00 C ATOM 0 H ILE A 104 12.467 -1.800 0.660 1.00 0.00 H new ATOM 0 HA ILE A 104 13.303 -3.171 3.148 1.00 0.00 H new ATOM 0 HB ILE A 104 13.532 -0.717 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 104 12.719 -1.158 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 104 14.276 -1.628 4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 104 11.849 0.855 3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 104 11.222 -0.233 1.758 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.808 -0.517 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 104 14.429 0.548 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.759 0.739 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 104 13.178 1.217 4.507 1.00 0.00 H new ATOM 1611 N ASN A 105 10.187 -2.956 2.404 1.00 0.00 N ATOM 1612 CA ASN A 105 8.897 -3.540 2.729 1.00 0.00 C ATOM 1613 C ASN A 105 8.834 -5.062 2.540 1.00 0.00 C ATOM 1614 O ASN A 105 7.925 -5.693 3.080 1.00 0.00 O ATOM 1615 CB ASN A 105 7.947 -2.821 1.761 1.00 0.00 C ATOM 1616 CG ASN A 105 7.430 -1.491 2.309 1.00 0.00 C ATOM 1617 OD1 ASN A 105 6.402 -1.542 3.138 1.00 0.00 O flip ATOM 1618 ND2 ASN A 105 7.944 -0.419 1.993 1.00 0.00 N flip ATOM 0 H ASN A 105 10.191 -2.410 1.542 1.00 0.00 H new ATOM 0 HA ASN A 105 8.651 -3.409 3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.464 -2.643 0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.100 -3.471 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.737 -0.403 1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.577 0.454 2.373 1.00 0.00 H new ATOM 1625 N GLY A 106 9.758 -5.668 1.796 1.00 0.00 N ATOM 1626 CA GLY A 106 9.727 -7.134 1.662 1.00 0.00 C ATOM 1627 C GLY A 106 9.175 -7.587 0.310 1.00 0.00 C ATOM 1628 O GLY A 106 8.580 -8.659 0.199 1.00 0.00 O ATOM 0 H GLY A 106 10.510 -5.196 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.735 -7.529 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.116 -7.556 2.460 1.00 0.00 H new ATOM 1632 N PHE A 107 9.410 -6.784 -0.720 1.00 0.00 N ATOM 1633 CA PHE A 107 8.970 -7.143 -2.074 1.00 0.00 C ATOM 1634 C PHE A 107 10.216 -7.547 -2.873 1.00 0.00 C ATOM 1635 O PHE A 107 11.351 -7.189 -2.548 1.00 0.00 O ATOM 1636 CB PHE A 107 8.231 -6.001 -2.795 1.00 0.00 C ATOM 1637 CG PHE A 107 6.858 -5.632 -2.253 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.734 -4.917 -1.106 1.00 0.00 C ATOM 1639 CD2 PHE A 107 5.740 -5.967 -2.963 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.503 -4.572 -0.644 1.00 0.00 C ATOM 1641 CE2 PHE A 107 4.512 -5.614 -2.505 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.392 -4.922 -1.343 1.00 0.00 C ATOM 0 H PHE A 107 9.896 -5.890 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 107 8.255 -7.962 -1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 107 8.861 -5.112 -2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 107 8.121 -6.275 -3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.617 -4.621 -0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.833 -6.513 -3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.408 -4.019 0.279 1.00 0.00 H new ATOM 0 HE2 PHE A 107 3.629 -5.884 -3.066 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.414 -4.650 -0.975 1.00 0.00 H new ATOM 1652 N GLU A 108 9.980 -8.289 -3.947 1.00 0.00 N ATOM 1653 CA GLU A 108 11.083 -8.785 -4.783 1.00 0.00 C ATOM 1654 C GLU A 108 10.828 -8.325 -6.218 1.00 0.00 C ATOM 1655 O GLU A 108 9.973 -8.855 -6.927 1.00 0.00 O ATOM 1656 CB GLU A 108 11.196 -10.315 -4.712 1.00 0.00 C ATOM 1657 CG GLU A 108 11.646 -10.802 -3.328 1.00 0.00 C ATOM 1658 CD GLU A 108 11.844 -12.313 -3.263 1.00 0.00 C ATOM 1659 OE1 GLU A 108 11.963 -12.967 -4.323 1.00 0.00 O ATOM 1660 OE2 GLU A 108 11.890 -12.857 -2.138 1.00 0.00 O ATOM 0 H GLU A 108 9.049 -8.562 -4.263 1.00 0.00 H new ATOM 0 HA GLU A 108 12.029 -8.384 -4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 108 10.231 -10.760 -4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 108 11.905 -10.660 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.580 -10.307 -3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.904 -10.506 -2.586 1.00 0.00 H new ATOM 1667 N ILE A 109 11.569 -7.303 -6.630 1.00 0.00 N ATOM 1668 CA ILE A 109 11.260 -6.600 -7.874 1.00 0.00 C ATOM 1669 C ILE A 109 11.746 -7.378 -9.096 1.00 0.00 C ATOM 1670 O ILE A 109 12.783 -8.045 -9.092 1.00 0.00 O ATOM 1671 CB ILE A 109 11.851 -5.194 -7.679 1.00 0.00 C ATOM 1672 CG1 ILE A 109 11.440 -4.105 -8.667 1.00 0.00 C ATOM 1673 CG2 ILE A 109 13.363 -5.228 -7.713 1.00 0.00 C ATOM 1674 CD1 ILE A 109 11.887 -2.734 -8.157 1.00 0.00 C ATOM 0 H ILE A 109 12.381 -6.944 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 109 10.194 -6.512 -8.082 1.00 0.00 H new ATOM 0 HB ILE A 109 11.430 -4.922 -6.711 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.886 -4.301 -9.642 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.359 -4.116 -8.803 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.753 -4.220 -7.573 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.730 -5.874 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.697 -5.615 -8.676 1.00 0.00 H new ATOM 0 HD11 ILE A 109 11.588 -1.965 -8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 109 11.421 -2.535 -7.192 1.00 0.00 H new ATOM 0 HD13 ILE A 109 12.971 -2.723 -8.045 1.00 0.00 H new ATOM 1686 N ILE A 110 10.922 -7.316 -10.131 1.00 0.00 N ATOM 1687 CA ILE A 110 11.117 -8.168 -11.310 1.00 0.00 C ATOM 1688 C ILE A 110 10.722 -7.372 -12.550 1.00 0.00 C ATOM 1689 O ILE A 110 9.635 -6.793 -12.646 1.00 0.00 O ATOM 1690 CB ILE A 110 10.351 -9.502 -11.166 1.00 0.00 C ATOM 1691 CG1 ILE A 110 10.521 -10.413 -12.397 1.00 0.00 C ATOM 1692 CG2 ILE A 110 8.859 -9.299 -10.857 1.00 0.00 C ATOM 1693 CD1 ILE A 110 10.095 -11.858 -12.122 1.00 0.00 C ATOM 0 H ILE A 110 10.117 -6.693 -10.186 1.00 0.00 H new ATOM 0 HA ILE A 110 12.165 -8.450 -11.409 1.00 0.00 H new ATOM 0 HB ILE A 110 10.803 -10.003 -10.310 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.932 -10.015 -13.223 1.00 0.00 H new ATOM 0 HG13 ILE A 110 11.564 -10.399 -12.714 1.00 0.00 H new ATOM 0 HG21 ILE A 110 8.371 -10.269 -10.766 1.00 0.00 H new ATOM 0 HG22 ILE A 110 8.753 -8.751 -9.921 1.00 0.00 H new ATOM 0 HG23 ILE A 110 8.394 -8.733 -11.664 1.00 0.00 H new ATOM 0 HD11 ILE A 110 10.235 -12.456 -13.022 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.702 -12.269 -11.315 1.00 0.00 H new ATOM 0 HD13 ILE A 110 9.044 -11.879 -11.833 1.00 0.00 H new ATOM 1705 N ASN A 111 11.656 -7.362 -13.493 1.00 0.00 N ATOM 1706 CA ASN A 111 11.462 -6.612 -14.736 1.00 0.00 C ATOM 1707 C ASN A 111 11.265 -7.570 -15.916 1.00 0.00 C ATOM 1708 O ASN A 111 12.198 -8.123 -16.497 1.00 0.00 O ATOM 1709 CB ASN A 111 12.582 -5.594 -14.982 1.00 0.00 C ATOM 1710 CG ASN A 111 14.005 -6.159 -14.958 1.00 0.00 C ATOM 1711 OD1 ASN A 111 14.536 -6.529 -13.913 1.00 0.00 O ATOM 1712 ND2 ASN A 111 14.645 -6.219 -16.113 1.00 0.00 N ATOM 0 H ASN A 111 12.546 -7.857 -13.427 1.00 0.00 H new ATOM 0 HA ASN A 111 10.550 -6.024 -14.635 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.414 -5.122 -15.950 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.508 -4.810 -14.228 1.00 0.00 H new ATOM 0 HD21 ASN A 111 15.599 -6.578 -16.149 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.185 -5.906 -16.968 1.00 0.00 H new ATOM 1719 N GLU A 112 9.997 -7.717 -16.254 1.00 0.00 N ATOM 1720 CA GLU A 112 9.590 -8.416 -17.484 1.00 0.00 C ATOM 1721 C GLU A 112 8.828 -7.398 -18.362 1.00 0.00 C ATOM 1722 O GLU A 112 8.739 -6.226 -17.987 1.00 0.00 O ATOM 1723 CB GLU A 112 8.705 -9.604 -17.060 1.00 0.00 C ATOM 1724 CG GLU A 112 9.506 -10.706 -16.360 1.00 0.00 C ATOM 1725 CD GLU A 112 8.603 -11.856 -15.933 1.00 0.00 C ATOM 1726 OE1 GLU A 112 8.012 -11.784 -14.835 1.00 0.00 O ATOM 1727 OE2 GLU A 112 8.476 -12.839 -16.696 1.00 0.00 O ATOM 0 H GLU A 112 9.219 -7.363 -15.698 1.00 0.00 H new ATOM 0 HA GLU A 112 10.431 -8.801 -18.061 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.920 -9.249 -16.392 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.212 -10.019 -17.939 1.00 0.00 H new ATOM 0 HG2 GLU A 112 10.281 -11.078 -17.030 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.011 -10.293 -15.487 1.00 0.00 H new ATOM 1734 N PRO A 113 8.238 -7.763 -19.513 1.00 0.00 N ATOM 1735 CA PRO A 113 7.503 -6.781 -20.332 1.00 0.00 C ATOM 1736 C PRO A 113 6.347 -5.990 -19.689 1.00 0.00 C ATOM 1737 O PRO A 113 5.893 -4.983 -20.231 1.00 0.00 O ATOM 1738 CB PRO A 113 7.075 -7.620 -21.533 1.00 0.00 C ATOM 1739 CG PRO A 113 8.220 -8.618 -21.698 1.00 0.00 C ATOM 1740 CD PRO A 113 8.647 -8.960 -20.269 1.00 0.00 C ATOM 0 HA PRO A 113 8.147 -5.931 -20.557 1.00 0.00 H new ATOM 0 HB2 PRO A 113 6.126 -8.125 -21.352 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.945 -7.007 -22.425 1.00 0.00 H new ATOM 0 HG2 PRO A 113 7.895 -9.508 -22.238 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.044 -8.185 -22.265 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.152 -9.859 -19.903 1.00 0.00 H new ATOM 0 HD3 PRO A 113 9.720 -9.136 -20.198 1.00 0.00 H new ATOM 1748 N ASP A 114 5.942 -6.395 -18.494 1.00 0.00 N ATOM 1749 CA ASP A 114 5.292 -5.474 -17.558 1.00 0.00 C ATOM 1750 C ASP A 114 6.187 -5.433 -16.307 1.00 0.00 C ATOM 1751 O ASP A 114 6.852 -6.417 -15.971 1.00 0.00 O ATOM 1752 CB ASP A 114 3.880 -5.994 -17.247 1.00 0.00 C ATOM 1753 CG ASP A 114 3.824 -7.423 -16.700 1.00 0.00 C ATOM 1754 OD1 ASP A 114 3.993 -7.608 -15.476 1.00 0.00 O ATOM 1755 OD2 ASP A 114 3.608 -8.364 -17.495 1.00 0.00 O ATOM 0 H ASP A 114 6.049 -7.348 -18.146 1.00 0.00 H new ATOM 0 HA ASP A 114 5.178 -4.468 -17.961 1.00 0.00 H new ATOM 0 HB2 ASP A 114 3.414 -5.325 -16.523 1.00 0.00 H new ATOM 0 HB3 ASP A 114 3.282 -5.945 -18.157 1.00 0.00 H new ATOM 1760 N TYR A 115 6.215 -4.306 -15.601 1.00 0.00 N ATOM 1761 CA TYR A 115 7.213 -4.138 -14.531 1.00 0.00 C ATOM 1762 C TYR A 115 6.526 -4.074 -13.172 1.00 0.00 C ATOM 1763 O TYR A 115 5.672 -3.201 -12.985 1.00 0.00 O ATOM 1764 CB TYR A 115 7.997 -2.850 -14.783 1.00 0.00 C ATOM 1765 CG TYR A 115 8.952 -2.504 -13.652 1.00 0.00 C ATOM 1766 CD1 TYR A 115 9.832 -3.425 -13.173 1.00 0.00 C ATOM 1767 CD2 TYR A 115 8.892 -1.271 -13.081 1.00 0.00 C ATOM 1768 CE1 TYR A 115 10.724 -3.079 -12.211 1.00 0.00 C ATOM 1769 CE2 TYR A 115 9.790 -0.921 -12.125 1.00 0.00 C ATOM 1770 CZ TYR A 115 10.733 -1.810 -11.722 1.00 0.00 C ATOM 1771 OH TYR A 115 11.679 -1.431 -10.811 1.00 0.00 O ATOM 0 H TYR A 115 5.584 -3.516 -15.737 1.00 0.00 H new ATOM 0 HA TYR A 115 7.893 -4.990 -14.531 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.562 -2.951 -15.710 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.297 -2.027 -14.924 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.820 -4.433 -13.559 1.00 0.00 H new ATOM 0 HD2 TYR A 115 8.130 -0.570 -13.388 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.425 -3.809 -11.835 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.754 0.065 -11.685 1.00 0.00 H new ATOM 0 HH TYR A 115 11.541 -0.492 -10.568 1.00 0.00 H new ATOM 1781 N CYS A 116 6.764 -5.065 -12.296 1.00 0.00 N ATOM 1782 CA CYS A 116 6.308 -4.960 -10.893 1.00 0.00 C ATOM 1783 C CYS A 116 7.218 -5.658 -9.869 1.00 0.00 C ATOM 1784 O CYS A 116 8.410 -5.885 -10.077 1.00 0.00 O ATOM 1785 CB CYS A 116 4.878 -5.540 -10.784 1.00 0.00 C ATOM 1786 SG CYS A 116 4.881 -7.289 -11.269 1.00 0.00 S ATOM 0 H CYS A 116 7.257 -5.929 -12.523 1.00 0.00 H new ATOM 0 HA CYS A 116 6.336 -3.899 -10.643 1.00 0.00 H new ATOM 0 HB2 CYS A 116 4.512 -5.438 -9.762 1.00 0.00 H new ATOM 0 HB3 CYS A 116 4.198 -4.977 -11.424 1.00 0.00 H new ATOM 0 HG CYS A 116 4.114 -7.964 -10.465 1.00 0.00 H new ATOM 1792 N TRP A 117 6.573 -5.991 -8.736 1.00 0.00 N ATOM 1793 CA TRP A 117 7.235 -6.481 -7.515 1.00 0.00 C ATOM 1794 C TRP A 117 6.409 -7.652 -6.955 1.00 0.00 C ATOM 1795 O TRP A 117 5.220 -7.494 -6.692 1.00 0.00 O ATOM 1796 CB TRP A 117 7.199 -5.424 -6.403 1.00 0.00 C ATOM 1797 CG TRP A 117 7.655 -4.038 -6.747 1.00 0.00 C ATOM 1798 CD1 TRP A 117 8.310 -3.613 -7.891 1.00 0.00 C ATOM 1799 CD2 TRP A 117 7.492 -2.928 -5.980 1.00 0.00 C ATOM 1800 NE1 TRP A 117 8.547 -2.254 -7.876 1.00 0.00 N ATOM 1801 CE2 TRP A 117 8.036 -1.858 -6.646 1.00 0.00 C ATOM 1802 CE3 TRP A 117 6.961 -2.803 -4.735 1.00 0.00 C ATOM 1803 CZ2 TRP A 117 8.161 -0.666 -6.012 1.00 0.00 C ATOM 1804 CZ3 TRP A 117 6.990 -1.582 -4.152 1.00 0.00 C ATOM 1805 CH2 TRP A 117 7.648 -0.550 -4.747 1.00 0.00 C ATOM 0 H TRP A 117 5.559 -5.926 -8.643 1.00 0.00 H new ATOM 0 HA TRP A 117 8.259 -6.745 -7.778 1.00 0.00 H new ATOM 0 HB2 TRP A 117 6.175 -5.359 -6.035 1.00 0.00 H new ATOM 0 HB3 TRP A 117 7.813 -5.784 -5.577 1.00 0.00 H new ATOM 0 HD1 TRP A 117 8.601 -4.268 -8.699 1.00 0.00 H new ATOM 0 HE1 TRP A 117 8.990 -1.680 -8.593 1.00 0.00 H new ATOM 0 HE3 TRP A 117 6.529 -3.652 -4.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 8.651 0.169 -6.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 6.488 -1.426 -3.209 1.00 0.00 H new ATOM 0 HH2 TRP A 117 7.768 0.380 -4.211 1.00 0.00 H new ATOM 1816 N ILE A 118 7.009 -8.798 -6.689 1.00 0.00 N ATOM 1817 CA ILE A 118 6.268 -9.949 -6.129 1.00 0.00 C ATOM 1818 C ILE A 118 6.669 -10.175 -4.661 1.00 0.00 C ATOM 1819 O ILE A 118 7.806 -10.533 -4.353 1.00 0.00 O ATOM 1820 CB ILE A 118 6.279 -11.200 -7.030 1.00 0.00 C ATOM 1821 CG1 ILE A 118 6.030 -12.519 -6.281 1.00 0.00 C ATOM 1822 CG2 ILE A 118 7.548 -11.370 -7.847 1.00 0.00 C ATOM 1823 CD1 ILE A 118 5.117 -13.411 -7.113 1.00 0.00 C ATOM 0 H ILE A 118 8.002 -8.971 -6.845 1.00 0.00 H new ATOM 0 HA ILE A 118 5.207 -9.700 -6.117 1.00 0.00 H new ATOM 0 HB ILE A 118 5.443 -11.001 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.976 -13.026 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.575 -12.319 -5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 118 7.473 -12.273 -8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 118 7.679 -10.506 -8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.404 -11.452 -7.177 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.940 -14.346 -6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.167 -12.904 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.590 -13.622 -8.072 1.00 0.00 H new ATOM 1835 N LYS A 119 5.731 -9.902 -3.754 1.00 0.00 N ATOM 1836 CA LYS A 119 6.017 -9.966 -2.310 1.00 0.00 C ATOM 1837 C LYS A 119 5.989 -11.412 -1.804 1.00 0.00 C ATOM 1838 O LYS A 119 4.949 -12.069 -1.758 1.00 0.00 O ATOM 1839 CB LYS A 119 4.967 -9.131 -1.559 1.00 0.00 C ATOM 1840 CG LYS A 119 5.370 -8.659 -0.153 1.00 0.00 C ATOM 1841 CD LYS A 119 5.553 -9.781 0.874 1.00 0.00 C ATOM 1842 CE LYS A 119 5.870 -9.215 2.260 1.00 0.00 C ATOM 1843 NZ LYS A 119 6.086 -10.308 3.219 1.00 0.00 N ATOM 0 H LYS A 119 4.774 -9.636 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 119 7.016 -9.568 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 119 4.728 -8.255 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 119 4.053 -9.720 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 119 6.301 -8.098 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.610 -7.969 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.646 -10.384 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 119 6.359 -10.442 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 119 6.758 -8.586 2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.050 -8.582 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.300 -9.911 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.228 -10.892 3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.883 -10.896 2.902 1.00 0.00 H new ATOM 1857 N MET A 120 7.178 -11.894 -1.465 1.00 0.00 N ATOM 1858 CA MET A 120 7.370 -13.320 -1.161 1.00 0.00 C ATOM 1859 C MET A 120 7.743 -13.435 0.320 1.00 0.00 C ATOM 1860 O MET A 120 8.849 -13.080 0.729 1.00 0.00 O ATOM 1861 CB MET A 120 8.472 -13.933 -2.038 1.00 0.00 C ATOM 1862 CG MET A 120 8.077 -14.003 -3.517 1.00 0.00 C ATOM 1863 SD MET A 120 9.393 -14.785 -4.468 1.00 0.00 S ATOM 1864 CE MET A 120 9.068 -16.520 -4.104 1.00 0.00 C ATOM 0 H MET A 120 8.024 -11.328 -1.392 1.00 0.00 H new ATOM 0 HA MET A 120 6.451 -13.868 -1.370 1.00 0.00 H new ATOM 0 HB2 MET A 120 9.383 -13.343 -1.936 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.701 -14.936 -1.679 1.00 0.00 H new ATOM 0 HG2 MET A 120 7.151 -14.567 -3.629 1.00 0.00 H new ATOM 0 HG3 MET A 120 7.887 -13.000 -3.899 1.00 0.00 H new ATOM 0 HE1 MET A 120 9.994 -17.008 -3.801 1.00 0.00 H new ATOM 0 HE2 MET A 120 8.339 -16.592 -3.297 1.00 0.00 H new ATOM 0 HE3 MET A 120 8.674 -17.011 -4.994 1.00 0.00 H new