USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 784 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 Single : A 1 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 1 HIS N :NH3+ 147:sc= 0.309 (180deg=-0.0549) USER MOD Single : A 2 MET CE :methyl 151:sc= -0.322 (180deg=-1.2) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 26 CYS SG : rot 20:sc= 0.161 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -140:sc= -0.847 USER MOD Single : A 47 SER OG : rot 97:sc= 0.0927 USER MOD Single : A 62 GLN : amide:sc= -3.61! C(o=-3.6!,f=-5!) USER MOD Single : A 64 HIS : no HD1:sc= -3.67! C(o=-3.7!,f=-5.1!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 149:sc= -0.175 (180deg=-1.24) USER MOD Single : A 85 MET CE :methyl -137:sc= -0.401 (180deg=-4.6!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -153:sc= -0.167 (180deg=-0.663) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -177:sc= 0.0252 (180deg=0.0244) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 0.891 -1.701 2.617 1.00 23.14 N ATOM 2 CA HIS A 1 1.069 -0.957 1.376 1.00 55.34 C ATOM 3 C HIS A 1 2.075 -1.652 0.464 1.00 22.22 C ATOM 4 O HIS A 1 2.924 -1.004 -0.147 1.00 70.25 O ATOM 5 CB HIS A 1 1.533 0.469 1.673 1.00 14.50 C ATOM 6 CG HIS A 1 0.446 1.356 2.199 1.00 74.42 C ATOM 7 ND1 HIS A 1 0.686 2.601 2.741 1.00 72.41 N ATOM 8 CD2 HIS A 1 -0.894 1.172 2.262 1.00 61.52 C ATOM 9 CE1 HIS A 1 -0.459 3.143 3.116 1.00 2.22 C ATOM 10 NE2 HIS A 1 -1.433 2.296 2.836 1.00 0.40 N ATOM 0 H1 HIS A 1 0.703 -1.038 3.395 1.00 23.14 H new ATOM 0 H2 HIS A 1 0.089 -2.355 2.518 1.00 23.14 H new ATOM 0 H3 HIS A 1 1.755 -2.242 2.824 1.00 23.14 H new ATOM 0 HA HIS A 1 0.107 -0.919 0.864 1.00 55.34 H new ATOM 0 HB2 HIS A 1 2.345 0.434 2.399 1.00 14.50 H new ATOM 0 HB3 HIS A 1 1.939 0.907 0.761 1.00 14.50 H new ATOM 0 HD2 HIS A 1 -1.438 0.302 1.923 1.00 61.52 H new ATOM 0 HE1 HIS A 1 -0.578 4.114 3.574 1.00 2.22 H new ATOM 0 HE2 HIS A 1 -2.425 2.452 3.017 1.00 0.40 H new ATOM 18 N MET A 2 1.974 -2.975 0.380 1.00 45.44 N ATOM 19 CA MET A 2 2.876 -3.757 -0.458 1.00 23.34 C ATOM 20 C MET A 2 2.098 -4.753 -1.312 1.00 41.43 C ATOM 21 O MET A 2 0.867 -4.747 -1.322 1.00 62.41 O ATOM 22 CB MET A 2 3.896 -4.499 0.409 1.00 71.12 C ATOM 23 CG MET A 2 4.716 -3.582 1.302 1.00 71.21 C ATOM 24 SD MET A 2 3.993 -3.381 2.941 1.00 15.42 S ATOM 25 CE MET A 2 4.071 -5.061 3.555 1.00 23.40 C ATOM 0 H MET A 2 1.278 -3.527 0.881 1.00 45.44 H new ATOM 0 HA MET A 2 3.403 -3.071 -1.121 1.00 23.34 H new ATOM 0 HB2 MET A 2 3.372 -5.225 1.031 1.00 71.12 H new ATOM 0 HB3 MET A 2 4.570 -5.061 -0.238 1.00 71.12 H new ATOM 0 HG2 MET A 2 5.724 -3.984 1.401 1.00 71.21 H new ATOM 0 HG3 MET A 2 4.807 -2.605 0.827 1.00 71.21 H new ATOM 0 HE1 MET A 2 4.164 -5.048 4.641 1.00 23.40 H new ATOM 0 HE2 MET A 2 3.162 -5.593 3.276 1.00 23.40 H new ATOM 0 HE3 MET A 2 4.935 -5.567 3.123 1.00 23.40 H new ATOM 35 N SER A 3 2.824 -5.605 -2.029 1.00 32.13 N ATOM 36 CA SER A 3 2.201 -6.604 -2.890 1.00 10.42 C ATOM 37 C SER A 3 2.787 -7.988 -2.628 1.00 54.13 C ATOM 38 O SER A 3 3.963 -8.123 -2.290 1.00 63.41 O ATOM 39 CB SER A 3 2.389 -6.228 -4.361 1.00 13.41 C ATOM 40 OG SER A 3 3.712 -5.785 -4.609 1.00 52.13 O ATOM 0 H SER A 3 3.844 -5.624 -2.031 1.00 32.13 H new ATOM 0 HA SER A 3 1.135 -6.631 -2.662 1.00 10.42 H new ATOM 0 HB2 SER A 3 2.166 -7.089 -4.991 1.00 13.41 H new ATOM 0 HB3 SER A 3 1.683 -5.443 -4.632 1.00 13.41 H new ATOM 0 HG SER A 3 3.807 -5.552 -5.556 1.00 52.13 H new ATOM 46 N LEU A 4 1.958 -9.014 -2.787 1.00 55.52 N ATOM 47 CA LEU A 4 2.391 -10.389 -2.569 1.00 24.13 C ATOM 48 C LEU A 4 1.733 -11.333 -3.569 1.00 70.34 C ATOM 49 O LEU A 4 0.563 -11.170 -3.917 1.00 51.03 O ATOM 50 CB LEU A 4 2.060 -10.829 -1.141 1.00 41.44 C ATOM 51 CG LEU A 4 2.226 -9.765 -0.056 1.00 3.41 C ATOM 52 CD1 LEU A 4 0.921 -9.014 0.160 1.00 44.21 C ATOM 53 CD2 LEU A 4 2.700 -10.398 1.244 1.00 63.31 C ATOM 0 H LEU A 4 0.982 -8.919 -3.066 1.00 55.52 H new ATOM 0 HA LEU A 4 3.470 -10.431 -2.715 1.00 24.13 H new ATOM 0 HB2 LEU A 4 1.029 -11.182 -1.121 1.00 41.44 H new ATOM 0 HB3 LEU A 4 2.693 -11.679 -0.888 1.00 41.44 H new ATOM 0 HG LEU A 4 2.981 -9.052 -0.386 1.00 3.41 H new ATOM 0 HD11 LEU A 4 1.059 -8.261 0.936 1.00 44.21 H new ATOM 0 HD12 LEU A 4 0.623 -8.528 -0.769 1.00 44.21 H new ATOM 0 HD13 LEU A 4 0.145 -9.714 0.468 1.00 44.21 H new ATOM 0 HD21 LEU A 4 2.813 -9.626 2.005 1.00 63.31 H new ATOM 0 HD22 LEU A 4 1.968 -11.133 1.579 1.00 63.31 H new ATOM 0 HD23 LEU A 4 3.659 -10.889 1.081 1.00 63.31 H new ATOM 65 N THR A 5 2.492 -12.324 -4.028 1.00 53.24 N ATOM 66 CA THR A 5 1.982 -13.295 -4.988 1.00 62.21 C ATOM 67 C THR A 5 1.053 -14.298 -4.314 1.00 73.25 C ATOM 68 O THR A 5 1.322 -14.763 -3.207 1.00 4.12 O ATOM 69 CB THR A 5 3.129 -14.058 -5.678 1.00 31.12 C ATOM 70 OG1 THR A 5 4.339 -13.905 -4.928 1.00 65.33 O ATOM 71 CG2 THR A 5 3.338 -13.553 -7.097 1.00 42.23 C ATOM 0 H THR A 5 3.462 -12.475 -3.750 1.00 53.24 H new ATOM 0 HA THR A 5 1.425 -12.735 -5.739 1.00 62.21 H new ATOM 0 HB THR A 5 2.860 -15.113 -5.721 1.00 31.12 H new ATOM 0 HG1 THR A 5 5.063 -14.394 -5.372 1.00 65.33 H new ATOM 0 HG21 THR A 5 4.153 -14.106 -7.564 1.00 42.23 H new ATOM 0 HG22 THR A 5 2.424 -13.698 -7.673 1.00 42.23 H new ATOM 0 HG23 THR A 5 3.587 -12.492 -7.073 1.00 42.23 H new ATOM 79 N VAL A 6 -0.043 -14.629 -4.990 1.00 71.03 N ATOM 80 CA VAL A 6 -1.012 -15.579 -4.457 1.00 72.14 C ATOM 81 C VAL A 6 -1.204 -16.758 -5.405 1.00 14.21 C ATOM 82 O VAL A 6 -1.612 -16.585 -6.554 1.00 21.41 O ATOM 83 CB VAL A 6 -2.376 -14.909 -4.206 1.00 40.45 C ATOM 84 CG1 VAL A 6 -2.884 -14.240 -5.475 1.00 3.43 C ATOM 85 CG2 VAL A 6 -3.383 -15.926 -3.691 1.00 4.01 C ATOM 0 H VAL A 6 -0.282 -14.253 -5.908 1.00 71.03 H new ATOM 0 HA VAL A 6 -0.613 -15.940 -3.509 1.00 72.14 H new ATOM 0 HB VAL A 6 -2.248 -14.140 -3.444 1.00 40.45 H new ATOM 0 HG11 VAL A 6 -3.849 -13.772 -5.278 1.00 3.43 H new ATOM 0 HG12 VAL A 6 -2.171 -13.481 -5.796 1.00 3.43 H new ATOM 0 HG13 VAL A 6 -2.997 -14.987 -6.260 1.00 3.43 H new ATOM 0 HG21 VAL A 6 -4.341 -15.435 -3.519 1.00 4.01 H new ATOM 0 HG22 VAL A 6 -3.509 -16.719 -4.428 1.00 4.01 H new ATOM 0 HG23 VAL A 6 -3.022 -16.354 -2.756 1.00 4.01 H new ATOM 95 N LYS A 7 -0.909 -17.957 -4.916 1.00 22.33 N ATOM 96 CA LYS A 7 -1.050 -19.167 -5.717 1.00 73.12 C ATOM 97 C LYS A 7 -2.370 -19.869 -5.414 1.00 60.40 C ATOM 98 O LYS A 7 -2.813 -19.910 -4.267 1.00 11.43 O ATOM 99 CB LYS A 7 0.119 -20.119 -5.452 1.00 53.33 C ATOM 100 CG LYS A 7 1.392 -19.738 -6.188 1.00 12.32 C ATOM 101 CD LYS A 7 2.609 -20.421 -5.587 1.00 74.43 C ATOM 102 CE LYS A 7 2.695 -21.880 -6.012 1.00 13.55 C ATOM 103 NZ LYS A 7 3.386 -22.036 -7.321 1.00 62.21 N ATOM 0 H LYS A 7 -0.570 -18.117 -3.967 1.00 22.33 H new ATOM 0 HA LYS A 7 -1.044 -18.879 -6.768 1.00 73.12 H new ATOM 0 HB2 LYS A 7 0.322 -20.143 -4.381 1.00 53.33 H new ATOM 0 HB3 LYS A 7 -0.172 -21.128 -5.744 1.00 53.33 H new ATOM 0 HG2 LYS A 7 1.302 -20.012 -7.239 1.00 12.32 H new ATOM 0 HG3 LYS A 7 1.525 -18.657 -6.151 1.00 12.32 H new ATOM 0 HD2 LYS A 7 3.513 -19.896 -5.898 1.00 74.43 H new ATOM 0 HD3 LYS A 7 2.562 -20.360 -4.500 1.00 74.43 H new ATOM 0 HE2 LYS A 7 3.227 -22.449 -5.250 1.00 13.55 H new ATOM 0 HE3 LYS A 7 1.691 -22.299 -6.079 1.00 13.55 H new ATOM 0 HZ1 LYS A 7 3.424 -23.044 -7.575 1.00 62.21 H new ATOM 0 HZ2 LYS A 7 2.864 -21.514 -8.053 1.00 62.21 H new ATOM 0 HZ3 LYS A 7 4.353 -21.660 -7.250 1.00 62.21 H new ATOM 117 N ALA A 8 -2.992 -20.423 -6.450 1.00 12.31 N ATOM 118 CA ALA A 8 -4.259 -21.126 -6.293 1.00 70.41 C ATOM 119 C ALA A 8 -4.195 -22.517 -6.915 1.00 30.31 C ATOM 120 O ALA A 8 -3.680 -22.691 -8.020 1.00 4.14 O ATOM 121 CB ALA A 8 -5.391 -20.320 -6.913 1.00 63.43 C ATOM 0 H ALA A 8 -2.639 -20.398 -7.407 1.00 12.31 H new ATOM 0 HA ALA A 8 -4.452 -21.241 -5.227 1.00 70.41 H new ATOM 0 HB1 ALA A 8 -6.331 -20.857 -6.788 1.00 63.43 H new ATOM 0 HB2 ALA A 8 -5.459 -19.350 -6.420 1.00 63.43 H new ATOM 0 HB3 ALA A 8 -5.195 -20.174 -7.975 1.00 63.43 H new ATOM 127 N TYR A 9 -4.721 -23.505 -6.199 1.00 3.11 N ATOM 128 CA TYR A 9 -4.720 -24.882 -6.680 1.00 12.55 C ATOM 129 C TYR A 9 -6.141 -25.360 -6.962 1.00 61.32 C ATOM 130 O TYR A 9 -6.959 -25.489 -6.050 1.00 43.11 O ATOM 131 CB TYR A 9 -4.055 -25.801 -5.655 1.00 25.43 C ATOM 132 CG TYR A 9 -2.623 -25.427 -5.345 1.00 64.32 C ATOM 133 CD1 TYR A 9 -1.596 -25.739 -6.227 1.00 62.55 C ATOM 134 CD2 TYR A 9 -2.297 -24.760 -4.170 1.00 63.54 C ATOM 135 CE1 TYR A 9 -0.286 -25.400 -5.948 1.00 72.22 C ATOM 136 CE2 TYR A 9 -0.990 -24.416 -3.884 1.00 0.14 C ATOM 137 CZ TYR A 9 0.012 -24.738 -4.775 1.00 73.43 C ATOM 138 OH TYR A 9 1.315 -24.397 -4.494 1.00 72.41 O ATOM 0 H TYR A 9 -5.153 -23.378 -5.284 1.00 3.11 H new ATOM 0 HA TYR A 9 -4.153 -24.916 -7.610 1.00 12.55 H new ATOM 0 HB2 TYR A 9 -4.635 -25.781 -4.732 1.00 25.43 H new ATOM 0 HB3 TYR A 9 -4.082 -26.825 -6.027 1.00 25.43 H new ATOM 0 HD1 TYR A 9 -1.826 -26.256 -7.147 1.00 62.55 H new ATOM 0 HD2 TYR A 9 -3.078 -24.506 -3.469 1.00 63.54 H new ATOM 0 HE1 TYR A 9 0.500 -25.652 -6.644 1.00 72.22 H new ATOM 0 HE2 TYR A 9 -0.754 -23.897 -2.967 1.00 0.14 H new ATOM 0 HH TYR A 9 1.353 -23.935 -3.631 1.00 72.41 H new ATOM 148 N LEU A 10 -6.428 -25.623 -8.232 1.00 65.54 N ATOM 149 CA LEU A 10 -7.749 -26.089 -8.638 1.00 32.32 C ATOM 150 C LEU A 10 -7.891 -27.591 -8.408 1.00 55.44 C ATOM 151 O LEU A 10 -6.981 -28.364 -8.708 1.00 31.32 O ATOM 152 CB LEU A 10 -7.997 -25.761 -10.111 1.00 75.21 C ATOM 153 CG LEU A 10 -9.438 -25.413 -10.488 1.00 1.03 C ATOM 154 CD1 LEU A 10 -10.356 -26.600 -10.241 1.00 60.13 C ATOM 155 CD2 LEU A 10 -9.914 -24.197 -9.707 1.00 13.13 C ATOM 0 H LEU A 10 -5.763 -25.521 -8.999 1.00 65.54 H new ATOM 0 HA LEU A 10 -8.492 -25.575 -8.028 1.00 32.32 H new ATOM 0 HB2 LEU A 10 -7.358 -24.923 -10.389 1.00 75.21 H new ATOM 0 HB3 LEU A 10 -7.682 -26.615 -10.711 1.00 75.21 H new ATOM 0 HG LEU A 10 -9.467 -25.172 -11.551 1.00 1.03 H new ATOM 0 HD11 LEU A 10 -11.377 -26.334 -10.515 1.00 60.13 H new ATOM 0 HD12 LEU A 10 -10.027 -27.446 -10.845 1.00 60.13 H new ATOM 0 HD13 LEU A 10 -10.323 -26.872 -9.186 1.00 60.13 H new ATOM 0 HD21 LEU A 10 -10.941 -23.963 -9.988 1.00 13.13 H new ATOM 0 HD22 LEU A 10 -9.869 -24.410 -8.639 1.00 13.13 H new ATOM 0 HD23 LEU A 10 -9.273 -23.345 -9.934 1.00 13.13 H new ATOM 167 N LEU A 11 -9.040 -27.996 -7.877 1.00 64.35 N ATOM 168 CA LEU A 11 -9.303 -29.406 -7.610 1.00 1.01 C ATOM 169 C LEU A 11 -10.519 -29.891 -8.393 1.00 23.11 C ATOM 170 O LEU A 11 -11.640 -29.442 -8.159 1.00 60.21 O ATOM 171 CB LEU A 11 -9.524 -29.628 -6.113 1.00 33.53 C ATOM 172 CG LEU A 11 -8.537 -28.930 -5.177 1.00 62.21 C ATOM 173 CD1 LEU A 11 -8.854 -29.257 -3.726 1.00 64.31 C ATOM 174 CD2 LEU A 11 -7.108 -29.329 -5.516 1.00 21.10 C ATOM 0 H LEU A 11 -9.803 -27.369 -7.623 1.00 64.35 H new ATOM 0 HA LEU A 11 -8.434 -29.980 -7.932 1.00 1.01 H new ATOM 0 HB2 LEU A 11 -10.531 -29.294 -5.861 1.00 33.53 H new ATOM 0 HB3 LEU A 11 -9.485 -30.699 -5.916 1.00 33.53 H new ATOM 0 HG LEU A 11 -8.635 -27.853 -5.314 1.00 62.21 H new ATOM 0 HD11 LEU A 11 -8.141 -28.751 -3.075 1.00 64.31 H new ATOM 0 HD12 LEU A 11 -9.863 -28.921 -3.489 1.00 64.31 H new ATOM 0 HD13 LEU A 11 -8.785 -30.334 -3.572 1.00 64.31 H new ATOM 0 HD21 LEU A 11 -6.419 -28.823 -4.840 1.00 21.10 H new ATOM 0 HD22 LEU A 11 -6.996 -30.408 -5.408 1.00 21.10 H new ATOM 0 HD23 LEU A 11 -6.884 -29.042 -6.544 1.00 21.10 H new ATOM 186 N GLY A 12 -10.288 -30.813 -9.323 1.00 32.12 N ATOM 187 CA GLY A 12 -11.374 -31.346 -10.125 1.00 12.33 C ATOM 188 C GLY A 12 -11.966 -32.610 -9.533 1.00 44.14 C ATOM 189 O GLY A 12 -12.705 -32.558 -8.551 1.00 13.04 O ATOM 0 H GLY A 12 -9.368 -31.200 -9.535 1.00 32.12 H new ATOM 0 HA2 GLY A 12 -12.156 -30.592 -10.220 1.00 12.33 H new ATOM 0 HA3 GLY A 12 -11.010 -31.556 -11.131 1.00 12.33 H new ATOM 193 N LYS A 13 -11.641 -33.750 -10.134 1.00 10.03 N ATOM 194 CA LYS A 13 -12.145 -35.034 -9.662 1.00 21.23 C ATOM 195 C LYS A 13 -11.171 -35.672 -8.677 1.00 25.32 C ATOM 196 O LYS A 13 -11.555 -36.064 -7.576 1.00 33.23 O ATOM 197 CB LYS A 13 -12.383 -35.977 -10.843 1.00 71.32 C ATOM 198 CG LYS A 13 -12.966 -35.287 -12.064 1.00 64.14 C ATOM 199 CD LYS A 13 -11.898 -35.007 -13.109 1.00 32.30 C ATOM 200 CE LYS A 13 -12.184 -35.743 -14.409 1.00 70.30 C ATOM 201 NZ LYS A 13 -12.805 -34.851 -15.427 1.00 13.15 N ATOM 0 H LYS A 13 -11.031 -33.810 -10.949 1.00 10.03 H new ATOM 0 HA LYS A 13 -13.090 -34.858 -9.149 1.00 21.23 H new ATOM 0 HB2 LYS A 13 -11.439 -36.447 -11.118 1.00 71.32 H new ATOM 0 HB3 LYS A 13 -13.057 -36.775 -10.530 1.00 71.32 H new ATOM 0 HG2 LYS A 13 -13.746 -35.912 -12.498 1.00 64.14 H new ATOM 0 HG3 LYS A 13 -13.437 -34.351 -11.764 1.00 64.14 H new ATOM 0 HD2 LYS A 13 -11.847 -33.935 -13.300 1.00 32.30 H new ATOM 0 HD3 LYS A 13 -10.924 -35.309 -12.725 1.00 32.30 H new ATOM 0 HE2 LYS A 13 -11.256 -36.155 -14.805 1.00 70.30 H new ATOM 0 HE3 LYS A 13 -12.847 -36.585 -14.211 1.00 70.30 H new ATOM 0 HZ1 LYS A 13 -12.984 -35.390 -16.298 1.00 13.15 H new ATOM 0 HZ2 LYS A 13 -13.704 -34.478 -15.060 1.00 13.15 H new ATOM 0 HZ3 LYS A 13 -12.161 -34.061 -15.635 1.00 13.15 H new ATOM 215 N GLU A 14 -9.908 -35.772 -9.081 1.00 2.44 N ATOM 216 CA GLU A 14 -8.879 -36.362 -8.232 1.00 53.30 C ATOM 217 C GLU A 14 -8.227 -35.301 -7.350 1.00 12.11 C ATOM 218 O GLU A 14 -7.540 -35.622 -6.381 1.00 65.24 O ATOM 219 CB GLU A 14 -7.816 -37.053 -9.088 1.00 22.45 C ATOM 220 CG GLU A 14 -8.390 -37.846 -10.250 1.00 14.41 C ATOM 221 CD GLU A 14 -7.326 -38.591 -11.031 1.00 24.35 C ATOM 222 OE1 GLU A 14 -6.687 -39.494 -10.449 1.00 11.51 O ATOM 223 OE2 GLU A 14 -7.130 -38.273 -12.222 1.00 75.00 O ATOM 0 H GLU A 14 -9.573 -35.452 -9.990 1.00 2.44 H new ATOM 0 HA GLU A 14 -9.355 -37.102 -7.588 1.00 53.30 H new ATOM 0 HB2 GLU A 14 -7.129 -36.301 -9.477 1.00 22.45 H new ATOM 0 HB3 GLU A 14 -7.232 -37.722 -8.456 1.00 22.45 H new ATOM 0 HG2 GLU A 14 -9.123 -38.558 -9.872 1.00 14.41 H new ATOM 0 HG3 GLU A 14 -8.920 -37.169 -10.920 1.00 14.41 H new ATOM 230 N GLU A 15 -8.449 -34.036 -7.694 1.00 2.04 N ATOM 231 CA GLU A 15 -7.882 -32.928 -6.934 1.00 25.12 C ATOM 232 C GLU A 15 -6.357 -32.950 -6.996 1.00 0.00 C ATOM 233 O GLU A 15 -5.681 -32.737 -5.990 1.00 31.12 O ATOM 234 CB GLU A 15 -8.344 -32.990 -5.477 1.00 34.03 C ATOM 235 CG GLU A 15 -9.833 -33.255 -5.322 1.00 4.25 C ATOM 236 CD GLU A 15 -10.273 -33.279 -3.871 1.00 24.14 C ATOM 237 OE1 GLU A 15 -9.630 -32.597 -3.045 1.00 53.41 O ATOM 238 OE2 GLU A 15 -11.258 -33.980 -3.561 1.00 33.14 O ATOM 0 H GLU A 15 -9.017 -33.753 -8.493 1.00 2.04 H new ATOM 0 HA GLU A 15 -8.234 -31.998 -7.380 1.00 25.12 H new ATOM 0 HB2 GLU A 15 -7.788 -33.773 -4.961 1.00 34.03 H new ATOM 0 HB3 GLU A 15 -8.098 -32.048 -4.986 1.00 34.03 H new ATOM 0 HG2 GLU A 15 -10.393 -32.486 -5.855 1.00 4.25 H new ATOM 0 HG3 GLU A 15 -10.079 -34.209 -5.788 1.00 4.25 H new ATOM 245 N ALA A 16 -5.823 -33.209 -8.185 1.00 22.51 N ATOM 246 CA ALA A 16 -4.379 -33.258 -8.380 1.00 11.14 C ATOM 247 C ALA A 16 -3.876 -31.998 -9.075 1.00 53.44 C ATOM 248 O ALA A 16 -3.036 -32.066 -9.972 1.00 55.53 O ATOM 249 CB ALA A 16 -3.996 -34.494 -9.180 1.00 43.20 C ATOM 0 H ALA A 16 -6.369 -33.388 -9.028 1.00 22.51 H new ATOM 0 HA ALA A 16 -3.906 -33.313 -7.399 1.00 11.14 H new ATOM 0 HB1 ALA A 16 -2.915 -34.518 -9.318 1.00 43.20 H new ATOM 0 HB2 ALA A 16 -4.313 -35.388 -8.643 1.00 43.20 H new ATOM 0 HB3 ALA A 16 -4.485 -34.463 -10.153 1.00 43.20 H new ATOM 255 N ALA A 17 -4.396 -30.849 -8.657 1.00 13.54 N ATOM 256 CA ALA A 17 -3.999 -29.573 -9.239 1.00 41.10 C ATOM 257 C ALA A 17 -4.357 -29.510 -10.720 1.00 64.30 C ATOM 258 O ALA A 17 -3.476 -29.489 -11.581 1.00 34.35 O ATOM 259 CB ALA A 17 -2.507 -29.346 -9.044 1.00 50.33 C ATOM 0 H ALA A 17 -5.094 -30.776 -7.917 1.00 13.54 H new ATOM 0 HA ALA A 17 -4.546 -28.782 -8.726 1.00 41.10 H new ATOM 0 HB1 ALA A 17 -2.224 -28.389 -9.483 1.00 50.33 H new ATOM 0 HB2 ALA A 17 -2.276 -29.338 -7.979 1.00 50.33 H new ATOM 0 HB3 ALA A 17 -1.950 -30.147 -9.530 1.00 50.33 H new ATOM 265 N ARG A 18 -5.653 -29.482 -11.010 1.00 52.41 N ATOM 266 CA ARG A 18 -6.127 -29.424 -12.388 1.00 2.42 C ATOM 267 C ARG A 18 -5.622 -28.163 -13.084 1.00 1.14 C ATOM 268 O ARG A 18 -5.238 -28.199 -14.252 1.00 73.41 O ATOM 269 CB ARG A 18 -7.656 -29.463 -12.426 1.00 44.40 C ATOM 270 CG ARG A 18 -8.227 -30.868 -12.518 1.00 61.02 C ATOM 271 CD ARG A 18 -9.508 -30.896 -13.337 1.00 62.13 C ATOM 272 NE ARG A 18 -9.265 -30.588 -14.744 1.00 62.41 N ATOM 273 CZ ARG A 18 -10.222 -30.239 -15.596 1.00 73.41 C ATOM 274 NH1 ARG A 18 -11.480 -30.154 -15.186 1.00 52.31 N ATOM 275 NH2 ARG A 18 -9.922 -29.975 -16.861 1.00 51.33 N ATOM 0 H ARG A 18 -6.394 -29.499 -10.309 1.00 52.41 H new ATOM 0 HA ARG A 18 -5.735 -30.292 -12.918 1.00 2.42 H new ATOM 0 HB2 ARG A 18 -8.046 -28.979 -11.530 1.00 44.40 H new ATOM 0 HB3 ARG A 18 -8.005 -28.882 -13.279 1.00 44.40 H new ATOM 0 HG2 ARG A 18 -7.490 -31.532 -12.970 1.00 61.02 H new ATOM 0 HG3 ARG A 18 -8.426 -31.247 -11.516 1.00 61.02 H new ATOM 0 HD2 ARG A 18 -9.969 -31.880 -13.256 1.00 62.13 H new ATOM 0 HD3 ARG A 18 -10.217 -30.177 -12.926 1.00 62.13 H new ATOM 0 HE ARG A 18 -8.308 -30.644 -15.091 1.00 62.41 H new ATOM 0 HH11 ARG A 18 -11.715 -30.357 -14.214 1.00 52.31 H new ATOM 0 HH12 ARG A 18 -12.213 -29.886 -15.842 1.00 52.31 H new ATOM 0 HH21 ARG A 18 -8.955 -30.040 -17.180 1.00 51.33 H new ATOM 0 HH22 ARG A 18 -10.658 -29.707 -17.514 1.00 51.33 H new ATOM 289 N GLU A 19 -5.626 -27.050 -12.357 1.00 0.14 N ATOM 290 CA GLU A 19 -5.170 -25.778 -12.905 1.00 64.33 C ATOM 291 C GLU A 19 -4.424 -24.966 -11.850 1.00 34.42 C ATOM 292 O GLU A 19 -4.778 -24.990 -10.670 1.00 45.44 O ATOM 293 CB GLU A 19 -6.356 -24.973 -13.440 1.00 62.22 C ATOM 294 CG GLU A 19 -5.954 -23.845 -14.376 1.00 24.52 C ATOM 295 CD GLU A 19 -5.179 -24.337 -15.583 1.00 72.22 C ATOM 296 OE1 GLU A 19 -5.632 -25.309 -16.223 1.00 65.32 O ATOM 297 OE2 GLU A 19 -4.120 -23.749 -15.888 1.00 34.01 O ATOM 0 H GLU A 19 -5.940 -27.004 -11.388 1.00 0.14 H new ATOM 0 HA GLU A 19 -4.485 -25.991 -13.726 1.00 64.33 H new ATOM 0 HB2 GLU A 19 -7.033 -25.646 -13.966 1.00 62.22 H new ATOM 0 HB3 GLU A 19 -6.910 -24.556 -12.599 1.00 62.22 H new ATOM 0 HG2 GLU A 19 -6.848 -23.321 -14.712 1.00 24.52 H new ATOM 0 HG3 GLU A 19 -5.348 -23.123 -13.829 1.00 24.52 H new ATOM 304 N ILE A 20 -3.392 -24.250 -12.283 1.00 32.44 N ATOM 305 CA ILE A 20 -2.598 -23.431 -11.376 1.00 24.21 C ATOM 306 C ILE A 20 -2.323 -22.056 -11.975 1.00 13.01 C ATOM 307 O ILE A 20 -2.060 -21.930 -13.171 1.00 13.10 O ATOM 308 CB ILE A 20 -1.256 -24.107 -11.036 1.00 32.24 C ATOM 309 CG1 ILE A 20 -1.489 -25.545 -10.566 1.00 53.22 C ATOM 310 CG2 ILE A 20 -0.516 -23.310 -9.972 1.00 34.34 C ATOM 311 CD1 ILE A 20 -0.212 -26.299 -10.273 1.00 25.31 C ATOM 0 H ILE A 20 -3.086 -24.221 -13.256 1.00 32.44 H new ATOM 0 HA ILE A 20 -3.181 -23.317 -10.462 1.00 24.21 H new ATOM 0 HB ILE A 20 -0.641 -24.134 -11.936 1.00 32.24 H new ATOM 0 HG12 ILE A 20 -2.106 -25.530 -9.668 1.00 53.22 H new ATOM 0 HG13 ILE A 20 -2.051 -26.082 -11.330 1.00 53.22 H new ATOM 0 HG21 ILE A 20 0.430 -23.800 -9.743 1.00 34.34 H new ATOM 0 HG22 ILE A 20 -0.323 -22.303 -10.341 1.00 34.34 H new ATOM 0 HG23 ILE A 20 -1.125 -23.255 -9.069 1.00 34.34 H new ATOM 0 HD11 ILE A 20 -0.454 -27.310 -9.945 1.00 25.31 H new ATOM 0 HD12 ILE A 20 0.398 -26.346 -11.175 1.00 25.31 H new ATOM 0 HD13 ILE A 20 0.342 -25.785 -9.487 1.00 25.31 H new ATOM 323 N ARG A 21 -2.385 -21.028 -11.135 1.00 40.21 N ATOM 324 CA ARG A 21 -2.143 -19.661 -11.581 1.00 63.24 C ATOM 325 C ARG A 21 -1.813 -18.754 -10.400 1.00 4.22 C ATOM 326 O ARG A 21 -2.247 -19.001 -9.275 1.00 1.34 O ATOM 327 CB ARG A 21 -3.364 -19.121 -12.327 1.00 75.30 C ATOM 328 CG ARG A 21 -3.021 -18.102 -13.401 1.00 72.44 C ATOM 329 CD ARG A 21 -2.314 -18.753 -14.580 1.00 52.43 C ATOM 330 NE ARG A 21 -2.272 -17.874 -15.746 1.00 12.41 N ATOM 331 CZ ARG A 21 -1.916 -18.279 -16.960 1.00 21.14 C ATOM 332 NH1 ARG A 21 -1.573 -19.543 -17.166 1.00 30.12 N ATOM 333 NH2 ARG A 21 -1.903 -17.419 -17.970 1.00 64.53 N ATOM 0 H ARG A 21 -2.601 -21.116 -10.142 1.00 40.21 H new ATOM 0 HA ARG A 21 -1.289 -19.673 -12.258 1.00 63.24 H new ATOM 0 HB2 ARG A 21 -3.897 -19.954 -12.786 1.00 75.30 H new ATOM 0 HB3 ARG A 21 -4.045 -18.664 -11.609 1.00 75.30 H new ATOM 0 HG2 ARG A 21 -3.933 -17.614 -13.746 1.00 72.44 H new ATOM 0 HG3 ARG A 21 -2.385 -17.325 -12.977 1.00 72.44 H new ATOM 0 HD2 ARG A 21 -1.298 -19.020 -14.291 1.00 52.43 H new ATOM 0 HD3 ARG A 21 -2.825 -19.679 -14.843 1.00 52.43 H new ATOM 0 HE ARG A 21 -2.530 -16.895 -15.621 1.00 12.41 H new ATOM 0 HH11 ARG A 21 -1.582 -20.207 -16.391 1.00 30.12 H new ATOM 0 HH12 ARG A 21 -1.300 -19.852 -18.099 1.00 30.12 H new ATOM 0 HH21 ARG A 21 -2.166 -16.446 -17.815 1.00 64.53 H new ATOM 0 HH22 ARG A 21 -1.629 -17.731 -18.902 1.00 64.53 H new ATOM 347 N ARG A 22 -1.042 -17.704 -10.664 1.00 24.01 N ATOM 348 CA ARG A 22 -0.652 -16.761 -9.622 1.00 60.14 C ATOM 349 C ARG A 22 -0.688 -15.328 -10.145 1.00 61.13 C ATOM 350 O ARG A 22 -0.525 -15.088 -11.342 1.00 24.41 O ATOM 351 CB ARG A 22 0.749 -17.091 -9.104 1.00 70.21 C ATOM 352 CG ARG A 22 1.811 -17.113 -10.191 1.00 61.12 C ATOM 353 CD ARG A 22 2.951 -18.055 -9.837 1.00 61.33 C ATOM 354 NE ARG A 22 3.803 -18.340 -10.989 1.00 30.52 N ATOM 355 CZ ARG A 22 5.040 -18.814 -10.888 1.00 72.54 C ATOM 356 NH1 ARG A 22 5.566 -19.056 -9.696 1.00 1.43 N ATOM 357 NH2 ARG A 22 5.753 -19.049 -11.983 1.00 14.22 N ATOM 0 H ARG A 22 -0.675 -17.485 -11.590 1.00 24.01 H new ATOM 0 HA ARG A 22 -1.365 -16.849 -8.802 1.00 60.14 H new ATOM 0 HB2 ARG A 22 1.030 -16.357 -8.348 1.00 70.21 H new ATOM 0 HB3 ARG A 22 0.725 -18.063 -8.611 1.00 70.21 H new ATOM 0 HG2 ARG A 22 1.361 -17.423 -11.134 1.00 61.12 H new ATOM 0 HG3 ARG A 22 2.202 -16.106 -10.340 1.00 61.12 H new ATOM 0 HD2 ARG A 22 3.552 -17.614 -9.042 1.00 61.33 H new ATOM 0 HD3 ARG A 22 2.543 -18.988 -9.448 1.00 61.33 H new ATOM 0 HE ARG A 22 3.428 -18.166 -11.921 1.00 30.52 H new ATOM 0 HH11 ARG A 22 5.021 -18.878 -8.852 1.00 1.43 H new ATOM 0 HH12 ARG A 22 6.516 -19.420 -9.622 1.00 1.43 H new ATOM 0 HH21 ARG A 22 5.351 -18.866 -12.902 1.00 14.22 H new ATOM 0 HH22 ARG A 22 6.703 -19.413 -11.905 1.00 14.22 H new ATOM 371 N PHE A 23 -0.903 -14.379 -9.241 1.00 13.24 N ATOM 372 CA PHE A 23 -0.962 -12.969 -9.610 1.00 74.55 C ATOM 373 C PHE A 23 -0.585 -12.081 -8.429 1.00 13.22 C ATOM 374 O PHE A 23 -0.636 -12.508 -7.276 1.00 34.44 O ATOM 375 CB PHE A 23 -2.364 -12.609 -10.107 1.00 61.14 C ATOM 376 CG PHE A 23 -3.404 -12.613 -9.023 1.00 44.15 C ATOM 377 CD1 PHE A 23 -3.656 -11.469 -8.283 1.00 60.03 C ATOM 378 CD2 PHE A 23 -4.129 -13.760 -8.745 1.00 70.01 C ATOM 379 CE1 PHE A 23 -4.612 -11.470 -7.285 1.00 24.21 C ATOM 380 CE2 PHE A 23 -5.086 -13.767 -7.748 1.00 33.10 C ATOM 381 CZ PHE A 23 -5.329 -12.620 -7.018 1.00 25.23 C ATOM 0 H PHE A 23 -1.039 -14.560 -8.247 1.00 13.24 H new ATOM 0 HA PHE A 23 -0.244 -12.799 -10.413 1.00 74.55 H new ATOM 0 HB2 PHE A 23 -2.335 -11.622 -10.568 1.00 61.14 H new ATOM 0 HB3 PHE A 23 -2.658 -13.315 -10.884 1.00 61.14 H new ATOM 0 HD1 PHE A 23 -3.099 -10.567 -8.488 1.00 60.03 H new ATOM 0 HD2 PHE A 23 -3.944 -14.659 -9.314 1.00 70.01 H new ATOM 0 HE1 PHE A 23 -4.798 -10.572 -6.714 1.00 24.21 H new ATOM 0 HE2 PHE A 23 -5.643 -14.668 -7.540 1.00 33.10 H new ATOM 0 HZ PHE A 23 -6.078 -12.622 -6.240 1.00 25.23 H new ATOM 391 N SER A 24 -0.206 -10.842 -8.725 1.00 52.21 N ATOM 392 CA SER A 24 0.184 -9.893 -7.689 1.00 20.34 C ATOM 393 C SER A 24 -1.036 -9.401 -6.916 1.00 2.32 C ATOM 394 O SER A 24 -1.963 -8.833 -7.493 1.00 50.42 O ATOM 395 CB SER A 24 0.924 -8.705 -8.307 1.00 31.51 C ATOM 396 OG SER A 24 0.332 -8.319 -9.535 1.00 15.22 O ATOM 0 H SER A 24 -0.161 -10.472 -9.674 1.00 52.21 H new ATOM 0 HA SER A 24 0.850 -10.405 -6.995 1.00 20.34 H new ATOM 0 HB2 SER A 24 0.912 -7.864 -7.614 1.00 31.51 H new ATOM 0 HB3 SER A 24 1.969 -8.968 -8.470 1.00 31.51 H new ATOM 0 HG SER A 24 0.822 -7.557 -9.909 1.00 15.22 H new ATOM 402 N PHE A 25 -1.028 -9.623 -5.606 1.00 3.13 N ATOM 403 CA PHE A 25 -2.133 -9.203 -4.752 1.00 71.22 C ATOM 404 C PHE A 25 -1.693 -8.099 -3.796 1.00 2.23 C ATOM 405 O PHE A 25 -0.520 -8.012 -3.428 1.00 75.13 O ATOM 406 CB PHE A 25 -2.674 -10.395 -3.959 1.00 42.21 C ATOM 407 CG PHE A 25 -3.907 -10.075 -3.163 1.00 23.20 C ATOM 408 CD1 PHE A 25 -5.090 -9.738 -3.799 1.00 52.33 C ATOM 409 CD2 PHE A 25 -3.882 -10.112 -1.778 1.00 42.31 C ATOM 410 CE1 PHE A 25 -6.227 -9.443 -3.070 1.00 23.43 C ATOM 411 CE2 PHE A 25 -5.015 -9.819 -1.043 1.00 51.23 C ATOM 412 CZ PHE A 25 -6.189 -9.483 -1.690 1.00 24.12 C ATOM 0 H PHE A 25 -0.268 -10.092 -5.112 1.00 3.13 H new ATOM 0 HA PHE A 25 -2.924 -8.811 -5.391 1.00 71.22 H new ATOM 0 HB2 PHE A 25 -2.898 -11.209 -4.649 1.00 42.21 H new ATOM 0 HB3 PHE A 25 -1.898 -10.754 -3.283 1.00 42.21 H new ATOM 0 HD1 PHE A 25 -5.125 -9.705 -4.878 1.00 52.33 H new ATOM 0 HD2 PHE A 25 -2.967 -10.373 -1.267 1.00 42.31 H new ATOM 0 HE1 PHE A 25 -7.143 -9.182 -3.579 1.00 23.43 H new ATOM 0 HE2 PHE A 25 -4.983 -9.853 0.036 1.00 51.23 H new ATOM 0 HZ PHE A 25 -7.075 -9.252 -1.118 1.00 24.12 H new ATOM 422 N CYS A 26 -2.640 -7.257 -3.397 1.00 72.43 N ATOM 423 CA CYS A 26 -2.351 -6.157 -2.485 1.00 10.15 C ATOM 424 C CYS A 26 -2.684 -6.542 -1.047 1.00 4.44 C ATOM 425 O CYS A 26 -3.650 -7.261 -0.793 1.00 11.21 O ATOM 426 CB CYS A 26 -3.141 -4.911 -2.888 1.00 33.31 C ATOM 427 SG CYS A 26 -4.920 -5.037 -2.590 1.00 73.23 S ATOM 0 H CYS A 26 -3.615 -7.315 -3.691 1.00 72.43 H new ATOM 0 HA CYS A 26 -1.285 -5.937 -2.546 1.00 10.15 H new ATOM 0 HB2 CYS A 26 -2.751 -4.054 -2.339 1.00 33.31 H new ATOM 0 HB3 CYS A 26 -2.974 -4.715 -3.947 1.00 33.31 H new ATOM 0 HG CYS A 26 -5.149 -5.978 -1.723 1.00 73.23 H new ATOM 433 N PHE A 27 -1.875 -6.059 -0.109 1.00 34.04 N ATOM 434 CA PHE A 27 -2.082 -6.354 1.304 1.00 30.45 C ATOM 435 C PHE A 27 -2.888 -5.248 1.979 1.00 32.30 C ATOM 436 O PHE A 27 -2.862 -5.104 3.201 1.00 13.32 O ATOM 437 CB PHE A 27 -0.737 -6.526 2.014 1.00 40.55 C ATOM 438 CG PHE A 27 -0.777 -7.512 3.145 1.00 32.32 C ATOM 439 CD1 PHE A 27 -1.112 -8.837 2.915 1.00 14.14 C ATOM 440 CD2 PHE A 27 -0.480 -7.115 4.439 1.00 34.00 C ATOM 441 CE1 PHE A 27 -1.150 -9.748 3.954 1.00 0.45 C ATOM 442 CE2 PHE A 27 -0.516 -8.021 5.482 1.00 61.21 C ATOM 443 CZ PHE A 27 -0.852 -9.339 5.240 1.00 53.24 C ATOM 0 H PHE A 27 -1.071 -5.462 -0.302 1.00 34.04 H new ATOM 0 HA PHE A 27 -2.645 -7.285 1.376 1.00 30.45 H new ATOM 0 HB2 PHE A 27 0.009 -6.849 1.288 1.00 40.55 H new ATOM 0 HB3 PHE A 27 -0.412 -5.559 2.397 1.00 40.55 H new ATOM 0 HD1 PHE A 27 -1.346 -9.162 1.912 1.00 14.14 H new ATOM 0 HD2 PHE A 27 -0.217 -6.086 4.635 1.00 34.00 H new ATOM 0 HE1 PHE A 27 -1.412 -10.778 3.761 1.00 0.45 H new ATOM 0 HE2 PHE A 27 -0.282 -7.699 6.486 1.00 61.21 H new ATOM 0 HZ PHE A 27 -0.882 -10.048 6.054 1.00 53.24 H new ATOM 453 N SER A 28 -3.603 -4.470 1.173 1.00 12.22 N ATOM 454 CA SER A 28 -4.414 -3.374 1.691 1.00 42.45 C ATOM 455 C SER A 28 -5.646 -3.905 2.417 1.00 5.14 C ATOM 456 O SER A 28 -6.063 -5.048 2.231 1.00 60.00 O ATOM 457 CB SER A 28 -4.840 -2.445 0.552 1.00 75.22 C ATOM 458 OG SER A 28 -3.906 -1.395 0.372 1.00 23.43 O ATOM 0 H SER A 28 -3.637 -4.578 0.159 1.00 12.22 H new ATOM 0 HA SER A 28 -3.809 -2.812 2.403 1.00 42.45 H new ATOM 0 HB2 SER A 28 -4.932 -3.016 -0.372 1.00 75.22 H new ATOM 0 HB3 SER A 28 -5.824 -2.028 0.768 1.00 75.22 H new ATOM 0 HG SER A 28 -4.201 -0.817 -0.363 1.00 23.43 H new ATOM 464 N PRO A 29 -6.242 -3.056 3.267 1.00 53.41 N ATOM 465 CA PRO A 29 -7.435 -3.416 4.039 1.00 20.12 C ATOM 466 C PRO A 29 -8.673 -3.561 3.160 1.00 23.05 C ATOM 467 O PRO A 29 -9.410 -4.540 3.268 1.00 24.52 O ATOM 468 CB PRO A 29 -7.600 -2.241 5.006 1.00 52.21 C ATOM 469 CG PRO A 29 -6.941 -1.093 4.323 1.00 41.24 C ATOM 470 CD PRO A 29 -5.799 -1.678 3.538 1.00 11.14 C ATOM 0 HA PRO A 29 -7.324 -4.381 4.534 1.00 20.12 H new ATOM 0 HB2 PRO A 29 -8.652 -2.034 5.202 1.00 52.21 H new ATOM 0 HB3 PRO A 29 -7.132 -2.451 5.968 1.00 52.21 H new ATOM 0 HG2 PRO A 29 -7.641 -0.575 3.667 1.00 41.24 H new ATOM 0 HG3 PRO A 29 -6.582 -0.362 5.047 1.00 41.24 H new ATOM 0 HD2 PRO A 29 -5.620 -1.125 2.616 1.00 11.14 H new ATOM 0 HD3 PRO A 29 -4.869 -1.659 4.107 1.00 11.14 H new ATOM 478 N GLU A 30 -8.894 -2.580 2.291 1.00 11.23 N ATOM 479 CA GLU A 30 -10.044 -2.600 1.394 1.00 3.44 C ATOM 480 C GLU A 30 -9.736 -1.854 0.099 1.00 61.42 C ATOM 481 O GLU A 30 -8.894 -0.957 0.054 1.00 30.11 O ATOM 482 CB GLU A 30 -11.262 -1.975 2.077 1.00 33.35 C ATOM 483 CG GLU A 30 -11.644 -2.656 3.381 1.00 11.54 C ATOM 484 CD GLU A 30 -12.839 -2.005 4.051 1.00 42.40 C ATOM 485 OE1 GLU A 30 -12.696 -0.863 4.538 1.00 31.41 O ATOM 486 OE2 GLU A 30 -13.916 -2.636 4.088 1.00 5.43 O ATOM 0 H GLU A 30 -8.293 -1.762 2.189 1.00 11.23 H new ATOM 0 HA GLU A 30 -10.265 -3.639 1.151 1.00 3.44 H new ATOM 0 HB2 GLU A 30 -11.058 -0.922 2.273 1.00 33.35 H new ATOM 0 HB3 GLU A 30 -12.111 -2.014 1.394 1.00 33.35 H new ATOM 0 HG2 GLU A 30 -11.868 -3.705 3.187 1.00 11.54 H new ATOM 0 HG3 GLU A 30 -10.793 -2.632 4.062 1.00 11.54 H new ATOM 493 N PRO A 31 -10.434 -2.234 -0.982 1.00 25.51 N ATOM 494 CA PRO A 31 -10.253 -1.616 -2.299 1.00 2.14 C ATOM 495 C PRO A 31 -10.776 -0.184 -2.343 1.00 61.32 C ATOM 496 O PRO A 31 -10.094 0.720 -2.825 1.00 33.13 O ATOM 497 CB PRO A 31 -11.073 -2.514 -3.228 1.00 21.10 C ATOM 498 CG PRO A 31 -12.104 -3.130 -2.347 1.00 20.23 C ATOM 499 CD PRO A 31 -11.453 -3.297 -1.002 1.00 1.15 C ATOM 0 HA PRO A 31 -9.201 -1.543 -2.575 1.00 2.14 H new ATOM 0 HB2 PRO A 31 -11.532 -1.938 -4.032 1.00 21.10 H new ATOM 0 HB3 PRO A 31 -10.448 -3.274 -3.697 1.00 21.10 H new ATOM 0 HG2 PRO A 31 -12.987 -2.495 -2.277 1.00 20.23 H new ATOM 0 HG3 PRO A 31 -12.433 -4.091 -2.743 1.00 20.23 H new ATOM 0 HD2 PRO A 31 -12.171 -3.180 -0.191 1.00 1.15 H new ATOM 0 HD3 PRO A 31 -11.006 -4.285 -0.892 1.00 1.15 H new ATOM 507 N GLU A 32 -11.989 0.014 -1.838 1.00 34.42 N ATOM 508 CA GLU A 32 -12.603 1.336 -1.821 1.00 42.41 C ATOM 509 C GLU A 32 -13.176 1.653 -0.443 1.00 0.03 C ATOM 510 O GLU A 32 -13.350 0.762 0.388 1.00 13.22 O ATOM 511 CB GLU A 32 -13.707 1.424 -2.877 1.00 43.40 C ATOM 512 CG GLU A 32 -14.121 2.848 -3.207 1.00 13.50 C ATOM 513 CD GLU A 32 -12.940 3.737 -3.545 1.00 24.42 C ATOM 514 OE1 GLU A 32 -12.006 3.252 -4.217 1.00 43.34 O ATOM 515 OE2 GLU A 32 -12.949 4.917 -3.136 1.00 74.13 O ATOM 0 H GLU A 32 -12.566 -0.724 -1.435 1.00 34.42 H new ATOM 0 HA GLU A 32 -11.830 2.070 -2.051 1.00 42.41 H new ATOM 0 HB2 GLU A 32 -13.366 0.933 -3.789 1.00 43.40 H new ATOM 0 HB3 GLU A 32 -14.579 0.873 -2.525 1.00 43.40 H new ATOM 0 HG2 GLU A 32 -14.813 2.835 -4.049 1.00 13.50 H new ATOM 0 HG3 GLU A 32 -14.658 3.272 -2.359 1.00 13.50 H new ATOM 522 N ALA A 33 -13.466 2.928 -0.208 1.00 13.51 N ATOM 523 CA ALA A 33 -14.021 3.363 1.068 1.00 3.31 C ATOM 524 C ALA A 33 -15.530 3.561 0.972 1.00 22.52 C ATOM 525 O ALA A 33 -16.266 3.244 1.906 1.00 73.44 O ATOM 526 CB ALA A 33 -13.347 4.648 1.526 1.00 4.21 C ATOM 0 H ALA A 33 -13.326 3.678 -0.885 1.00 13.51 H new ATOM 0 HA ALA A 33 -13.829 2.582 1.804 1.00 3.31 H new ATOM 0 HB1 ALA A 33 -13.771 4.961 2.480 1.00 4.21 H new ATOM 0 HB2 ALA A 33 -12.277 4.476 1.644 1.00 4.21 H new ATOM 0 HB3 ALA A 33 -13.509 5.429 0.783 1.00 4.21 H new ATOM 532 N GLU A 34 -15.983 4.086 -0.162 1.00 5.43 N ATOM 533 CA GLU A 34 -17.404 4.327 -0.377 1.00 75.12 C ATOM 534 C GLU A 34 -18.047 3.160 -1.121 1.00 31.51 C ATOM 535 O GLU A 34 -18.996 2.547 -0.634 1.00 34.43 O ATOM 536 CB GLU A 34 -17.612 5.623 -1.164 1.00 22.04 C ATOM 537 CG GLU A 34 -17.603 6.870 -0.295 1.00 72.22 C ATOM 538 CD GLU A 34 -17.788 8.142 -1.099 1.00 40.03 C ATOM 539 OE1 GLU A 34 -17.258 8.212 -2.228 1.00 73.22 O ATOM 540 OE2 GLU A 34 -18.461 9.067 -0.600 1.00 55.43 O ATOM 0 H GLU A 34 -15.386 4.352 -0.945 1.00 5.43 H new ATOM 0 HA GLU A 34 -17.881 4.422 0.598 1.00 75.12 H new ATOM 0 HB2 GLU A 34 -16.830 5.710 -1.918 1.00 22.04 H new ATOM 0 HB3 GLU A 34 -18.562 5.567 -1.695 1.00 22.04 H new ATOM 0 HG2 GLU A 34 -18.396 6.796 0.449 1.00 72.22 H new ATOM 0 HG3 GLU A 34 -16.660 6.922 0.249 1.00 72.22 H new ATOM 547 N ALA A 35 -17.522 2.859 -2.304 1.00 73.33 N ATOM 548 CA ALA A 35 -18.043 1.765 -3.115 1.00 22.10 C ATOM 549 C ALA A 35 -18.130 0.475 -2.306 1.00 51.20 C ATOM 550 O ALA A 35 -19.015 -0.350 -2.530 1.00 20.13 O ATOM 551 CB ALA A 35 -17.173 1.560 -4.346 1.00 43.12 C ATOM 0 H ALA A 35 -16.736 3.357 -2.722 1.00 73.33 H new ATOM 0 HA ALA A 35 -19.050 2.031 -3.435 1.00 22.10 H new ATOM 0 HB1 ALA A 35 -17.574 0.740 -4.942 1.00 43.12 H new ATOM 0 HB2 ALA A 35 -17.165 2.472 -4.942 1.00 43.12 H new ATOM 0 HB3 ALA A 35 -16.156 1.320 -4.037 1.00 43.12 H new ATOM 557 N ALA A 36 -17.206 0.308 -1.366 1.00 2.32 N ATOM 558 CA ALA A 36 -17.180 -0.881 -0.523 1.00 4.42 C ATOM 559 C ALA A 36 -18.417 -0.951 0.366 1.00 4.41 C ATOM 560 O ALA A 36 -18.727 -0.004 1.089 1.00 75.41 O ATOM 561 CB ALA A 36 -15.916 -0.899 0.325 1.00 13.40 C ATOM 0 H ALA A 36 -16.465 0.981 -1.169 1.00 2.32 H new ATOM 0 HA ALA A 36 -17.182 -1.757 -1.172 1.00 4.42 H new ATOM 0 HB1 ALA A 36 -15.910 -1.792 0.950 1.00 13.40 H new ATOM 0 HB2 ALA A 36 -15.041 -0.905 -0.326 1.00 13.40 H new ATOM 0 HB3 ALA A 36 -15.891 -0.013 0.959 1.00 13.40 H new ATOM 567 N ALA A 37 -19.119 -2.077 0.307 1.00 72.23 N ATOM 568 CA ALA A 37 -20.322 -2.271 1.108 1.00 44.35 C ATOM 569 C ALA A 37 -20.151 -3.430 2.083 1.00 22.11 C ATOM 570 O ALA A 37 -21.034 -4.275 2.219 1.00 75.21 O ATOM 571 CB ALA A 37 -21.523 -2.510 0.206 1.00 55.13 C ATOM 0 H ALA A 37 -18.876 -2.870 -0.287 1.00 72.23 H new ATOM 0 HA ALA A 37 -20.492 -1.365 1.689 1.00 44.35 H new ATOM 0 HB1 ALA A 37 -22.414 -2.653 0.817 1.00 55.13 H new ATOM 0 HB2 ALA A 37 -21.665 -1.649 -0.447 1.00 55.13 H new ATOM 0 HB3 ALA A 37 -21.352 -3.400 -0.400 1.00 55.13 H new ATOM 577 N GLY A 38 -19.007 -3.464 2.761 1.00 72.24 N ATOM 578 CA GLY A 38 -18.741 -4.525 3.714 1.00 33.15 C ATOM 579 C GLY A 38 -17.417 -5.217 3.458 1.00 73.12 C ATOM 580 O GLY A 38 -16.431 -4.997 4.161 1.00 41.01 O ATOM 0 H GLY A 38 -18.260 -2.776 2.667 1.00 72.24 H new ATOM 0 HA2 GLY A 38 -18.742 -4.112 4.723 1.00 33.15 H new ATOM 0 HA3 GLY A 38 -19.546 -5.259 3.669 1.00 33.15 H new ATOM 584 N PRO A 39 -17.384 -6.078 2.429 1.00 15.54 N ATOM 585 CA PRO A 39 -16.178 -6.823 2.059 1.00 43.41 C ATOM 586 C PRO A 39 -15.099 -5.922 1.467 1.00 51.20 C ATOM 587 O PRO A 39 -15.217 -4.697 1.492 1.00 62.55 O ATOM 588 CB PRO A 39 -16.682 -7.815 1.008 1.00 41.42 C ATOM 589 CG PRO A 39 -17.893 -7.169 0.428 1.00 31.32 C ATOM 590 CD PRO A 39 -18.523 -6.389 1.549 1.00 42.23 C ATOM 0 HA PRO A 39 -15.711 -7.297 2.922 1.00 43.41 H new ATOM 0 HB2 PRO A 39 -15.927 -8.000 0.244 1.00 41.42 H new ATOM 0 HB3 PRO A 39 -16.924 -8.779 1.457 1.00 41.42 H new ATOM 0 HG2 PRO A 39 -17.627 -6.514 -0.402 1.00 31.32 H new ATOM 0 HG3 PRO A 39 -18.584 -7.916 0.036 1.00 31.32 H new ATOM 0 HD2 PRO A 39 -19.009 -5.484 1.185 1.00 42.23 H new ATOM 0 HD3 PRO A 39 -19.284 -6.973 2.067 1.00 42.23 H new ATOM 598 N GLY A 40 -14.047 -6.537 0.934 1.00 12.35 N ATOM 599 CA GLY A 40 -12.963 -5.774 0.343 1.00 30.44 C ATOM 600 C GLY A 40 -11.905 -6.661 -0.282 1.00 43.03 C ATOM 601 O GLY A 40 -11.829 -6.807 -1.502 1.00 45.25 O ATOM 0 H GLY A 40 -13.926 -7.549 0.901 1.00 12.35 H new ATOM 0 HA2 GLY A 40 -13.366 -5.104 -0.416 1.00 30.44 H new ATOM 0 HA3 GLY A 40 -12.503 -5.149 1.108 1.00 30.44 H new ATOM 605 N PRO A 41 -11.062 -7.271 0.564 1.00 0.14 N ATOM 606 CA PRO A 41 -9.987 -8.157 0.110 1.00 64.34 C ATOM 607 C PRO A 41 -10.518 -9.468 -0.460 1.00 61.14 C ATOM 608 O PRO A 41 -10.116 -9.892 -1.545 1.00 33.33 O ATOM 609 CB PRO A 41 -9.178 -8.417 1.383 1.00 14.14 C ATOM 610 CG PRO A 41 -10.149 -8.216 2.496 1.00 40.35 C ATOM 611 CD PRO A 41 -11.094 -7.143 2.031 1.00 54.30 C ATOM 0 HA PRO A 41 -9.406 -7.711 -0.697 1.00 64.34 H new ATOM 0 HB2 PRO A 41 -8.768 -9.427 1.392 1.00 14.14 H new ATOM 0 HB3 PRO A 41 -8.335 -7.730 1.464 1.00 14.14 H new ATOM 0 HG2 PRO A 41 -10.685 -9.139 2.718 1.00 40.35 H new ATOM 0 HG3 PRO A 41 -9.638 -7.916 3.411 1.00 40.35 H new ATOM 0 HD2 PRO A 41 -12.099 -7.294 2.426 1.00 54.30 H new ATOM 0 HD3 PRO A 41 -10.770 -6.154 2.355 1.00 54.30 H new ATOM 619 N CYS A 42 -11.422 -10.104 0.276 1.00 72.44 N ATOM 620 CA CYS A 42 -12.008 -11.368 -0.157 1.00 54.02 C ATOM 621 C CYS A 42 -12.631 -11.232 -1.543 1.00 63.20 C ATOM 622 O CYS A 42 -12.281 -11.968 -2.465 1.00 43.33 O ATOM 623 CB CYS A 42 -13.065 -11.834 0.846 1.00 64.11 C ATOM 624 SG CYS A 42 -13.983 -13.301 0.323 1.00 62.22 S ATOM 0 H CYS A 42 -11.765 -9.766 1.175 1.00 72.44 H new ATOM 0 HA CYS A 42 -11.212 -12.111 -0.207 1.00 54.02 H new ATOM 0 HB2 CYS A 42 -12.579 -12.043 1.799 1.00 64.11 H new ATOM 0 HB3 CYS A 42 -13.769 -11.020 1.019 1.00 64.11 H new ATOM 0 HG CYS A 42 -15.235 -13.167 0.645 1.00 62.22 H new ATOM 630 N GLU A 43 -13.556 -10.288 -1.681 1.00 11.23 N ATOM 631 CA GLU A 43 -14.229 -10.058 -2.954 1.00 22.21 C ATOM 632 C GLU A 43 -13.221 -9.722 -4.049 1.00 4.31 C ATOM 633 O GLU A 43 -13.466 -9.968 -5.230 1.00 40.50 O ATOM 634 CB GLU A 43 -15.250 -8.926 -2.820 1.00 25.21 C ATOM 635 CG GLU A 43 -15.836 -8.476 -4.147 1.00 55.30 C ATOM 636 CD GLU A 43 -16.982 -7.497 -3.976 1.00 43.41 C ATOM 637 OE1 GLU A 43 -16.780 -6.459 -3.311 1.00 40.10 O ATOM 638 OE2 GLU A 43 -18.079 -7.768 -4.507 1.00 11.15 O ATOM 0 H GLU A 43 -13.857 -9.670 -0.927 1.00 11.23 H new ATOM 0 HA GLU A 43 -14.749 -10.975 -3.232 1.00 22.21 H new ATOM 0 HB2 GLU A 43 -16.059 -9.253 -2.167 1.00 25.21 H new ATOM 0 HB3 GLU A 43 -14.774 -8.074 -2.335 1.00 25.21 H new ATOM 0 HG2 GLU A 43 -15.053 -8.012 -4.747 1.00 55.30 H new ATOM 0 HG3 GLU A 43 -16.187 -9.348 -4.699 1.00 55.30 H new ATOM 645 N ARG A 44 -12.086 -9.157 -3.648 1.00 33.44 N ATOM 646 CA ARG A 44 -11.041 -8.785 -4.594 1.00 35.22 C ATOM 647 C ARG A 44 -10.278 -10.016 -5.073 1.00 21.54 C ATOM 648 O ARG A 44 -9.817 -10.070 -6.214 1.00 1.43 O ATOM 649 CB ARG A 44 -10.074 -7.789 -3.952 1.00 63.40 C ATOM 650 CG ARG A 44 -10.511 -6.340 -4.089 1.00 33.21 C ATOM 651 CD ARG A 44 -9.851 -5.670 -5.284 1.00 15.44 C ATOM 652 NE ARG A 44 -8.394 -5.685 -5.184 1.00 75.03 N ATOM 653 CZ ARG A 44 -7.590 -5.145 -6.093 1.00 52.01 C ATOM 654 NH1 ARG A 44 -8.099 -4.550 -7.163 1.00 44.41 N ATOM 655 NH2 ARG A 44 -6.274 -5.199 -5.932 1.00 72.33 N ATOM 0 H ARG A 44 -11.867 -8.947 -2.674 1.00 33.44 H new ATOM 0 HA ARG A 44 -11.516 -8.316 -5.456 1.00 35.22 H new ATOM 0 HB2 ARG A 44 -9.968 -8.029 -2.894 1.00 63.40 H new ATOM 0 HB3 ARG A 44 -9.090 -7.907 -4.406 1.00 63.40 H new ATOM 0 HG2 ARG A 44 -11.595 -6.294 -4.197 1.00 33.21 H new ATOM 0 HG3 ARG A 44 -10.258 -5.795 -3.179 1.00 33.21 H new ATOM 0 HD2 ARG A 44 -10.157 -6.178 -6.199 1.00 15.44 H new ATOM 0 HD3 ARG A 44 -10.199 -4.640 -5.360 1.00 15.44 H new ATOM 0 HE ARG A 44 -7.971 -6.135 -4.372 1.00 75.03 H new ATOM 0 HH11 ARG A 44 -9.110 -4.506 -7.290 1.00 44.41 H new ATOM 0 HH12 ARG A 44 -7.479 -4.136 -7.860 1.00 44.41 H new ATOM 0 HH21 ARG A 44 -5.879 -5.655 -5.110 1.00 72.33 H new ATOM 0 HH22 ARG A 44 -5.657 -4.784 -6.631 1.00 72.33 H new ATOM 669 N LEU A 45 -10.147 -11.004 -4.194 1.00 13.13 N ATOM 670 CA LEU A 45 -9.439 -12.235 -4.526 1.00 31.21 C ATOM 671 C LEU A 45 -10.337 -13.185 -5.312 1.00 34.13 C ATOM 672 O LEU A 45 -9.973 -13.649 -6.393 1.00 31.41 O ATOM 673 CB LEU A 45 -8.943 -12.921 -3.252 1.00 31.22 C ATOM 674 CG LEU A 45 -8.506 -14.379 -3.401 1.00 34.02 C ATOM 675 CD1 LEU A 45 -7.445 -14.510 -4.481 1.00 65.45 C ATOM 676 CD2 LEU A 45 -7.991 -14.919 -2.075 1.00 65.41 C ATOM 0 H LEU A 45 -10.522 -10.976 -3.246 1.00 13.13 H new ATOM 0 HA LEU A 45 -8.583 -11.976 -5.149 1.00 31.21 H new ATOM 0 HB2 LEU A 45 -8.102 -12.349 -2.859 1.00 31.22 H new ATOM 0 HB3 LEU A 45 -9.736 -12.875 -2.506 1.00 31.22 H new ATOM 0 HG LEU A 45 -9.372 -14.970 -3.699 1.00 34.02 H new ATOM 0 HD11 LEU A 45 -7.146 -15.554 -4.573 1.00 65.45 H new ATOM 0 HD12 LEU A 45 -7.849 -14.163 -5.432 1.00 65.45 H new ATOM 0 HD13 LEU A 45 -6.577 -13.907 -4.214 1.00 65.45 H new ATOM 0 HD21 LEU A 45 -7.684 -15.958 -2.200 1.00 65.41 H new ATOM 0 HD22 LEU A 45 -7.137 -14.326 -1.747 1.00 65.41 H new ATOM 0 HD23 LEU A 45 -8.782 -14.861 -1.327 1.00 65.41 H new ATOM 688 N LEU A 46 -11.513 -13.468 -4.763 1.00 34.42 N ATOM 689 CA LEU A 46 -12.466 -14.361 -5.413 1.00 71.44 C ATOM 690 C LEU A 46 -12.794 -13.875 -6.822 1.00 21.44 C ATOM 691 O LEU A 46 -13.191 -14.660 -7.683 1.00 13.21 O ATOM 692 CB LEU A 46 -13.748 -14.462 -4.585 1.00 71.31 C ATOM 693 CG LEU A 46 -13.724 -15.465 -3.431 1.00 74.20 C ATOM 694 CD1 LEU A 46 -13.586 -16.884 -3.960 1.00 31.31 C ATOM 695 CD2 LEU A 46 -12.593 -15.141 -2.466 1.00 33.10 C ATOM 0 H LEU A 46 -11.830 -13.092 -3.869 1.00 34.42 H new ATOM 0 HA LEU A 46 -12.009 -15.348 -5.486 1.00 71.44 H new ATOM 0 HB2 LEU A 46 -13.973 -13.476 -4.178 1.00 71.31 H new ATOM 0 HB3 LEU A 46 -14.568 -14.726 -5.253 1.00 71.31 H new ATOM 0 HG LEU A 46 -14.668 -15.391 -2.891 1.00 74.20 H new ATOM 0 HD11 LEU A 46 -13.571 -17.584 -3.125 1.00 31.31 H new ATOM 0 HD12 LEU A 46 -14.430 -17.114 -4.610 1.00 31.31 H new ATOM 0 HD13 LEU A 46 -12.658 -16.973 -4.525 1.00 31.31 H new ATOM 0 HD21 LEU A 46 -12.591 -15.865 -1.651 1.00 33.10 H new ATOM 0 HD22 LEU A 46 -11.640 -15.186 -2.994 1.00 33.10 H new ATOM 0 HD23 LEU A 46 -12.736 -14.139 -2.061 1.00 33.10 H new ATOM 707 N SER A 47 -12.622 -12.577 -7.049 1.00 35.02 N ATOM 708 CA SER A 47 -12.902 -11.986 -8.352 1.00 44.23 C ATOM 709 C SER A 47 -11.915 -12.492 -9.401 1.00 15.13 C ATOM 710 O SER A 47 -12.313 -12.947 -10.473 1.00 65.53 O ATOM 711 CB SER A 47 -12.836 -10.460 -8.268 1.00 45.43 C ATOM 712 OG SER A 47 -14.134 -9.896 -8.197 1.00 22.20 O ATOM 0 H SER A 47 -12.290 -11.915 -6.348 1.00 35.02 H new ATOM 0 HA SER A 47 -13.907 -12.283 -8.650 1.00 44.23 H new ATOM 0 HB2 SER A 47 -12.260 -10.166 -7.391 1.00 45.43 H new ATOM 0 HB3 SER A 47 -12.313 -10.067 -9.140 1.00 45.43 H new ATOM 0 HG SER A 47 -14.361 -9.715 -7.261 1.00 22.20 H new ATOM 718 N ARG A 48 -10.628 -12.408 -9.082 1.00 60.11 N ATOM 719 CA ARG A 48 -9.584 -12.856 -9.996 1.00 10.10 C ATOM 720 C ARG A 48 -9.648 -14.367 -10.195 1.00 63.43 C ATOM 721 O ARG A 48 -9.605 -14.858 -11.324 1.00 1.23 O ATOM 722 CB ARG A 48 -8.206 -12.458 -9.464 1.00 21.51 C ATOM 723 CG ARG A 48 -8.154 -11.048 -8.900 1.00 52.23 C ATOM 724 CD ARG A 48 -8.722 -10.035 -9.882 1.00 12.42 C ATOM 725 NE ARG A 48 -7.933 -8.806 -9.918 1.00 73.10 N ATOM 726 CZ ARG A 48 -6.742 -8.715 -10.498 1.00 42.30 C ATOM 727 NH1 ARG A 48 -6.205 -9.774 -11.088 1.00 3.05 N ATOM 728 NH2 ARG A 48 -6.085 -7.562 -10.490 1.00 11.35 N ATOM 0 H ARG A 48 -10.283 -12.034 -8.198 1.00 60.11 H new ATOM 0 HA ARG A 48 -9.747 -12.373 -10.959 1.00 10.10 H new ATOM 0 HB2 ARG A 48 -7.909 -13.162 -8.687 1.00 21.51 H new ATOM 0 HB3 ARG A 48 -7.476 -12.545 -10.269 1.00 21.51 H new ATOM 0 HG2 ARG A 48 -8.716 -11.007 -7.967 1.00 52.23 H new ATOM 0 HG3 ARG A 48 -7.123 -10.788 -8.662 1.00 52.23 H new ATOM 0 HD2 ARG A 48 -8.754 -10.475 -10.879 1.00 12.42 H new ATOM 0 HD3 ARG A 48 -9.749 -9.798 -9.605 1.00 12.42 H new ATOM 0 HE ARG A 48 -8.318 -7.973 -9.473 1.00 73.10 H new ATOM 0 HH11 ARG A 48 -6.707 -10.662 -11.097 1.00 3.05 H new ATOM 0 HH12 ARG A 48 -5.290 -9.701 -11.533 1.00 3.05 H new ATOM 0 HH21 ARG A 48 -6.495 -6.745 -10.038 1.00 11.35 H new ATOM 0 HH22 ARG A 48 -5.170 -7.493 -10.936 1.00 11.35 H new ATOM 742 N VAL A 49 -9.750 -15.101 -9.091 1.00 45.04 N ATOM 743 CA VAL A 49 -9.820 -16.556 -9.144 1.00 64.35 C ATOM 744 C VAL A 49 -10.863 -17.020 -10.154 1.00 54.23 C ATOM 745 O VAL A 49 -10.708 -18.063 -10.789 1.00 10.15 O ATOM 746 CB VAL A 49 -10.156 -17.153 -7.765 1.00 2.33 C ATOM 747 CG1 VAL A 49 -10.141 -18.673 -7.822 1.00 12.42 C ATOM 748 CG2 VAL A 49 -9.184 -16.641 -6.712 1.00 65.15 C ATOM 0 H VAL A 49 -9.786 -14.711 -8.149 1.00 45.04 H new ATOM 0 HA VAL A 49 -8.836 -16.908 -9.454 1.00 64.35 H new ATOM 0 HB VAL A 49 -11.160 -16.834 -7.486 1.00 2.33 H new ATOM 0 HG11 VAL A 49 -10.381 -19.076 -6.838 1.00 12.42 H new ATOM 0 HG12 VAL A 49 -10.880 -19.017 -8.545 1.00 12.42 H new ATOM 0 HG13 VAL A 49 -9.151 -19.016 -8.123 1.00 12.42 H new ATOM 0 HG21 VAL A 49 -9.436 -17.073 -5.743 1.00 65.15 H new ATOM 0 HG22 VAL A 49 -8.168 -16.928 -6.984 1.00 65.15 H new ATOM 0 HG23 VAL A 49 -9.250 -15.555 -6.653 1.00 65.15 H new ATOM 758 N ALA A 50 -11.928 -16.237 -10.299 1.00 4.13 N ATOM 759 CA ALA A 50 -12.997 -16.566 -11.233 1.00 44.45 C ATOM 760 C ALA A 50 -12.519 -16.449 -12.677 1.00 3.11 C ATOM 761 O ALA A 50 -12.670 -17.379 -13.469 1.00 34.22 O ATOM 762 CB ALA A 50 -14.199 -15.663 -10.999 1.00 22.11 C ATOM 0 H ALA A 50 -12.073 -15.370 -9.781 1.00 4.13 H new ATOM 0 HA ALA A 50 -13.294 -17.600 -11.058 1.00 44.45 H new ATOM 0 HB1 ALA A 50 -14.990 -15.920 -11.704 1.00 22.11 H new ATOM 0 HB2 ALA A 50 -14.563 -15.798 -9.980 1.00 22.11 H new ATOM 0 HB3 ALA A 50 -13.907 -14.623 -11.145 1.00 22.11 H new ATOM 768 N VAL A 51 -11.941 -15.300 -13.013 1.00 53.22 N ATOM 769 CA VAL A 51 -11.441 -15.062 -14.362 1.00 2.42 C ATOM 770 C VAL A 51 -10.192 -15.891 -14.639 1.00 2.22 C ATOM 771 O VAL A 51 -9.841 -16.138 -15.793 1.00 62.23 O ATOM 772 CB VAL A 51 -11.115 -13.573 -14.585 1.00 12.22 C ATOM 773 CG1 VAL A 51 -10.167 -13.066 -13.508 1.00 73.34 C ATOM 774 CG2 VAL A 51 -10.525 -13.359 -15.970 1.00 41.34 C ATOM 0 H VAL A 51 -11.807 -14.520 -12.370 1.00 53.22 H new ATOM 0 HA VAL A 51 -12.232 -15.360 -15.050 1.00 2.42 H new ATOM 0 HB VAL A 51 -12.041 -13.002 -14.517 1.00 12.22 H new ATOM 0 HG11 VAL A 51 -9.948 -12.012 -13.682 1.00 73.34 H new ATOM 0 HG12 VAL A 51 -10.632 -13.183 -12.529 1.00 73.34 H new ATOM 0 HG13 VAL A 51 -9.240 -13.639 -13.540 1.00 73.34 H new ATOM 0 HG21 VAL A 51 -10.301 -12.302 -16.111 1.00 41.34 H new ATOM 0 HG22 VAL A 51 -9.608 -13.941 -16.069 1.00 41.34 H new ATOM 0 HG23 VAL A 51 -11.242 -13.681 -16.725 1.00 41.34 H new ATOM 784 N LEU A 52 -9.524 -16.318 -13.573 1.00 31.40 N ATOM 785 CA LEU A 52 -8.313 -17.121 -13.700 1.00 62.44 C ATOM 786 C LEU A 52 -8.652 -18.604 -13.820 1.00 53.44 C ATOM 787 O LEU A 52 -7.939 -19.364 -14.476 1.00 10.42 O ATOM 788 CB LEU A 52 -7.396 -16.892 -12.497 1.00 74.23 C ATOM 789 CG LEU A 52 -6.834 -15.479 -12.341 1.00 54.23 C ATOM 790 CD1 LEU A 52 -6.221 -15.298 -10.962 1.00 4.43 C ATOM 791 CD2 LEU A 52 -5.807 -15.191 -13.426 1.00 50.42 C ATOM 0 H LEU A 52 -9.801 -16.122 -12.611 1.00 31.40 H new ATOM 0 HA LEU A 52 -7.796 -16.811 -14.608 1.00 62.44 H new ATOM 0 HB2 LEU A 52 -7.948 -17.144 -11.592 1.00 74.23 H new ATOM 0 HB3 LEU A 52 -6.560 -17.588 -12.565 1.00 74.23 H new ATOM 0 HG LEU A 52 -7.654 -14.768 -12.447 1.00 54.23 H new ATOM 0 HD11 LEU A 52 -5.826 -14.286 -10.869 1.00 4.43 H new ATOM 0 HD12 LEU A 52 -6.984 -15.461 -10.201 1.00 4.43 H new ATOM 0 HD13 LEU A 52 -5.413 -16.017 -10.826 1.00 4.43 H new ATOM 0 HD21 LEU A 52 -5.418 -14.181 -13.299 1.00 50.42 H new ATOM 0 HD22 LEU A 52 -4.989 -15.907 -13.352 1.00 50.42 H new ATOM 0 HD23 LEU A 52 -6.278 -15.278 -14.405 1.00 50.42 H new ATOM 803 N PHE A 53 -9.747 -19.008 -13.185 1.00 12.10 N ATOM 804 CA PHE A 53 -10.183 -20.399 -13.221 1.00 64.24 C ATOM 805 C PHE A 53 -11.553 -20.523 -13.882 1.00 24.33 C ATOM 806 O PHE A 53 -12.552 -20.850 -13.241 1.00 4.15 O ATOM 807 CB PHE A 53 -10.232 -20.977 -11.806 1.00 20.53 C ATOM 808 CG PHE A 53 -8.877 -21.159 -11.185 1.00 5.14 C ATOM 809 CD1 PHE A 53 -8.099 -22.263 -11.496 1.00 53.20 C ATOM 810 CD2 PHE A 53 -8.380 -20.226 -10.289 1.00 2.32 C ATOM 811 CE1 PHE A 53 -6.851 -22.433 -10.927 1.00 13.35 C ATOM 812 CE2 PHE A 53 -7.133 -20.390 -9.717 1.00 24.04 C ATOM 813 CZ PHE A 53 -6.368 -21.495 -10.035 1.00 21.42 C ATOM 0 H PHE A 53 -10.349 -18.392 -12.639 1.00 12.10 H new ATOM 0 HA PHE A 53 -9.462 -20.964 -13.812 1.00 64.24 H new ATOM 0 HB2 PHE A 53 -10.827 -20.318 -11.174 1.00 20.53 H new ATOM 0 HB3 PHE A 53 -10.743 -21.940 -11.833 1.00 20.53 H new ATOM 0 HD1 PHE A 53 -8.473 -23.000 -12.192 1.00 53.20 H new ATOM 0 HD2 PHE A 53 -8.974 -19.361 -10.035 1.00 2.32 H new ATOM 0 HE1 PHE A 53 -6.255 -23.297 -11.179 1.00 13.35 H new ATOM 0 HE2 PHE A 53 -6.757 -19.654 -9.022 1.00 24.04 H new ATOM 0 HZ PHE A 53 -5.394 -21.626 -9.587 1.00 21.42 H new ATOM 823 N PRO A 54 -11.602 -20.256 -15.195 1.00 51.12 N ATOM 824 CA PRO A 54 -12.843 -20.331 -15.972 1.00 11.51 C ATOM 825 C PRO A 54 -13.333 -21.764 -16.146 1.00 21.13 C ATOM 826 O PRO A 54 -14.435 -21.998 -16.640 1.00 14.42 O ATOM 827 CB PRO A 54 -12.451 -19.732 -17.325 1.00 51.30 C ATOM 828 CG PRO A 54 -10.982 -19.955 -17.427 1.00 3.02 C ATOM 829 CD PRO A 54 -10.450 -19.861 -16.023 1.00 54.42 C ATOM 0 HA PRO A 54 -13.664 -19.808 -15.480 1.00 11.51 H new ATOM 0 HB2 PRO A 54 -12.983 -20.219 -18.142 1.00 51.30 H new ATOM 0 HB3 PRO A 54 -12.695 -18.671 -17.374 1.00 51.30 H new ATOM 0 HG2 PRO A 54 -10.765 -20.930 -17.862 1.00 3.02 H new ATOM 0 HG3 PRO A 54 -10.518 -19.208 -18.071 1.00 3.02 H new ATOM 0 HD2 PRO A 54 -9.599 -20.525 -15.870 1.00 54.42 H new ATOM 0 HD3 PRO A 54 -10.113 -18.851 -15.788 1.00 54.42 H new ATOM 837 N ALA A 55 -12.506 -22.721 -15.736 1.00 13.32 N ATOM 838 CA ALA A 55 -12.857 -24.131 -15.844 1.00 70.30 C ATOM 839 C ALA A 55 -14.177 -24.425 -15.138 1.00 44.33 C ATOM 840 O ALA A 55 -14.870 -25.386 -15.472 1.00 35.22 O ATOM 841 CB ALA A 55 -11.745 -24.997 -15.270 1.00 33.11 C ATOM 0 H ALA A 55 -11.589 -22.545 -15.326 1.00 13.32 H new ATOM 0 HA ALA A 55 -12.980 -24.369 -16.901 1.00 70.30 H new ATOM 0 HB1 ALA A 55 -12.021 -26.048 -15.357 1.00 33.11 H new ATOM 0 HB2 ALA A 55 -10.822 -24.817 -15.821 1.00 33.11 H new ATOM 0 HB3 ALA A 55 -11.595 -24.747 -14.220 1.00 33.11 H new ATOM 847 N LEU A 56 -14.517 -23.592 -14.161 1.00 55.44 N ATOM 848 CA LEU A 56 -15.755 -23.762 -13.407 1.00 64.13 C ATOM 849 C LEU A 56 -16.591 -22.487 -13.438 1.00 0.23 C ATOM 850 O LEU A 56 -16.236 -21.515 -14.105 1.00 64.54 O ATOM 851 CB LEU A 56 -15.444 -24.147 -11.960 1.00 22.40 C ATOM 852 CG LEU A 56 -14.411 -23.278 -11.241 1.00 34.41 C ATOM 853 CD1 LEU A 56 -15.050 -22.552 -10.068 1.00 2.55 C ATOM 854 CD2 LEU A 56 -13.237 -24.124 -10.772 1.00 24.15 C ATOM 0 H LEU A 56 -13.954 -22.792 -13.872 1.00 55.44 H new ATOM 0 HA LEU A 56 -16.330 -24.562 -13.874 1.00 64.13 H new ATOM 0 HB2 LEU A 56 -16.373 -24.119 -11.390 1.00 22.40 H new ATOM 0 HB3 LEU A 56 -15.093 -25.179 -11.947 1.00 22.40 H new ATOM 0 HG LEU A 56 -14.038 -22.533 -11.944 1.00 34.41 H new ATOM 0 HD11 LEU A 56 -14.301 -21.938 -9.568 1.00 2.55 H new ATOM 0 HD12 LEU A 56 -15.857 -21.915 -10.430 1.00 2.55 H new ATOM 0 HD13 LEU A 56 -15.451 -23.281 -9.364 1.00 2.55 H new ATOM 0 HD21 LEU A 56 -12.512 -23.489 -10.263 1.00 24.15 H new ATOM 0 HD22 LEU A 56 -13.593 -24.892 -10.085 1.00 24.15 H new ATOM 0 HD23 LEU A 56 -12.764 -24.598 -11.632 1.00 24.15 H new ATOM 866 N ARG A 57 -17.702 -22.497 -12.709 1.00 13.31 N ATOM 867 CA ARG A 57 -18.589 -21.341 -12.652 1.00 4.44 C ATOM 868 C ARG A 57 -17.847 -20.112 -12.132 1.00 33.41 C ATOM 869 O ARG A 57 -16.855 -20.215 -11.410 1.00 34.03 O ATOM 870 CB ARG A 57 -19.793 -21.639 -11.757 1.00 54.32 C ATOM 871 CG ARG A 57 -20.782 -22.615 -12.373 1.00 32.22 C ATOM 872 CD ARG A 57 -21.605 -23.321 -11.307 1.00 13.04 C ATOM 873 NE ARG A 57 -22.241 -24.532 -11.818 1.00 61.24 N ATOM 874 CZ ARG A 57 -23.358 -24.528 -12.537 1.00 33.54 C ATOM 875 NH1 ARG A 57 -23.960 -23.383 -12.827 1.00 31.23 N ATOM 876 NH2 ARG A 57 -23.876 -25.672 -12.967 1.00 22.12 N ATOM 0 H ARG A 57 -18.009 -23.293 -12.150 1.00 13.31 H new ATOM 0 HA ARG A 57 -18.939 -21.133 -13.663 1.00 4.44 H new ATOM 0 HB2 ARG A 57 -19.439 -22.043 -10.809 1.00 54.32 H new ATOM 0 HB3 ARG A 57 -20.309 -20.705 -11.533 1.00 54.32 H new ATOM 0 HG2 ARG A 57 -21.446 -22.081 -13.053 1.00 32.22 H new ATOM 0 HG3 ARG A 57 -20.244 -23.354 -12.967 1.00 32.22 H new ATOM 0 HD2 ARG A 57 -20.963 -23.577 -10.464 1.00 13.04 H new ATOM 0 HD3 ARG A 57 -22.370 -22.641 -10.930 1.00 13.04 H new ATOM 0 HE ARG A 57 -21.804 -25.430 -11.612 1.00 61.24 H new ATOM 0 HH11 ARG A 57 -23.566 -22.502 -12.498 1.00 31.23 H new ATOM 0 HH12 ARG A 57 -24.818 -23.383 -13.379 1.00 31.23 H new ATOM 0 HH21 ARG A 57 -23.416 -26.555 -12.745 1.00 22.12 H new ATOM 0 HH22 ARG A 57 -24.734 -25.668 -13.519 1.00 22.12 H new ATOM 890 N PRO A 58 -18.338 -18.922 -12.507 1.00 40.23 N ATOM 891 CA PRO A 58 -17.737 -17.651 -12.091 1.00 35.13 C ATOM 892 C PRO A 58 -17.938 -17.375 -10.604 1.00 41.05 C ATOM 893 O PRO A 58 -16.992 -17.044 -9.892 1.00 5.24 O ATOM 894 CB PRO A 58 -18.484 -16.613 -12.933 1.00 23.22 C ATOM 895 CG PRO A 58 -19.793 -17.251 -13.248 1.00 24.22 C ATOM 896 CD PRO A 58 -19.517 -18.725 -13.367 1.00 51.40 C ATOM 0 HA PRO A 58 -16.657 -17.643 -12.239 1.00 35.13 H new ATOM 0 HB2 PRO A 58 -18.620 -15.681 -12.384 1.00 23.22 H new ATOM 0 HB3 PRO A 58 -17.933 -16.370 -13.842 1.00 23.22 H new ATOM 0 HG2 PRO A 58 -20.523 -17.053 -12.463 1.00 24.22 H new ATOM 0 HG3 PRO A 58 -20.207 -16.855 -14.175 1.00 24.22 H new ATOM 0 HD2 PRO A 58 -20.365 -19.321 -13.029 1.00 51.40 H new ATOM 0 HD3 PRO A 58 -19.315 -19.014 -14.398 1.00 51.40 H new ATOM 904 N GLY A 59 -19.177 -17.514 -10.143 1.00 72.00 N ATOM 905 CA GLY A 59 -19.479 -17.276 -8.744 1.00 3.14 C ATOM 906 C GLY A 59 -20.091 -18.487 -8.068 1.00 52.13 C ATOM 907 O GLY A 59 -21.224 -18.434 -7.591 1.00 41.41 O ATOM 0 H GLY A 59 -19.977 -17.787 -10.714 1.00 72.00 H new ATOM 0 HA2 GLY A 59 -18.565 -16.995 -8.221 1.00 3.14 H new ATOM 0 HA3 GLY A 59 -20.165 -16.433 -8.662 1.00 3.14 H new ATOM 911 N GLY A 60 -19.341 -19.584 -8.029 1.00 44.21 N ATOM 912 CA GLY A 60 -19.834 -20.798 -7.407 1.00 31.51 C ATOM 913 C GLY A 60 -18.714 -21.704 -6.934 1.00 72.14 C ATOM 914 O GLY A 60 -18.713 -22.902 -7.218 1.00 71.14 O ATOM 0 H GLY A 60 -18.400 -19.653 -8.417 1.00 44.21 H new ATOM 0 HA2 GLY A 60 -20.468 -20.537 -6.560 1.00 31.51 H new ATOM 0 HA3 GLY A 60 -20.459 -21.339 -8.118 1.00 31.51 H new ATOM 918 N PHE A 61 -17.757 -21.131 -6.212 1.00 61.34 N ATOM 919 CA PHE A 61 -16.624 -21.895 -5.702 1.00 11.43 C ATOM 920 C PHE A 61 -16.131 -21.316 -4.379 1.00 23.23 C ATOM 921 O PHE A 61 -16.319 -20.133 -4.099 1.00 13.22 O ATOM 922 CB PHE A 61 -15.485 -21.903 -6.724 1.00 34.33 C ATOM 923 CG PHE A 61 -14.824 -20.566 -6.896 1.00 12.32 C ATOM 924 CD1 PHE A 61 -15.373 -19.610 -7.735 1.00 41.33 C ATOM 925 CD2 PHE A 61 -13.654 -20.265 -6.218 1.00 44.44 C ATOM 926 CE1 PHE A 61 -14.767 -18.378 -7.896 1.00 11.33 C ATOM 927 CE2 PHE A 61 -13.044 -19.034 -6.375 1.00 24.35 C ATOM 928 CZ PHE A 61 -13.600 -18.090 -7.215 1.00 73.11 C ATOM 0 H PHE A 61 -17.743 -20.141 -5.967 1.00 61.34 H new ATOM 0 HA PHE A 61 -16.955 -22.919 -5.530 1.00 11.43 H new ATOM 0 HB2 PHE A 61 -14.736 -22.632 -6.416 1.00 34.33 H new ATOM 0 HB3 PHE A 61 -15.874 -22.233 -7.687 1.00 34.33 H new ATOM 0 HD1 PHE A 61 -16.285 -19.830 -8.270 1.00 41.33 H new ATOM 0 HD2 PHE A 61 -13.214 -20.999 -5.560 1.00 44.44 H new ATOM 0 HE1 PHE A 61 -15.205 -17.642 -8.553 1.00 11.33 H new ATOM 0 HE2 PHE A 61 -12.132 -18.811 -5.840 1.00 24.35 H new ATOM 0 HZ PHE A 61 -13.124 -17.129 -7.339 1.00 73.11 H new ATOM 938 N GLN A 62 -15.499 -22.161 -3.570 1.00 10.54 N ATOM 939 CA GLN A 62 -14.980 -21.734 -2.276 1.00 2.24 C ATOM 940 C GLN A 62 -13.475 -21.967 -2.189 1.00 71.20 C ATOM 941 O GLN A 62 -12.986 -23.050 -2.510 1.00 3.22 O ATOM 942 CB GLN A 62 -15.690 -22.482 -1.146 1.00 3.53 C ATOM 943 CG GLN A 62 -16.771 -21.662 -0.459 1.00 63.42 C ATOM 944 CD GLN A 62 -16.264 -20.319 0.027 1.00 54.41 C ATOM 945 OE1 GLN A 62 -16.924 -19.294 -0.148 1.00 11.44 O ATOM 946 NE2 GLN A 62 -15.087 -20.316 0.641 1.00 31.21 N ATOM 0 H GLN A 62 -15.334 -23.144 -3.788 1.00 10.54 H new ATOM 0 HA GLN A 62 -15.170 -20.666 -2.171 1.00 2.24 H new ATOM 0 HB2 GLN A 62 -16.136 -23.392 -1.548 1.00 3.53 H new ATOM 0 HB3 GLN A 62 -14.952 -22.789 -0.405 1.00 3.53 H new ATOM 0 HG2 GLN A 62 -17.598 -21.505 -1.152 1.00 63.42 H new ATOM 0 HG3 GLN A 62 -17.166 -22.225 0.387 1.00 63.42 H new ATOM 0 HE21 GLN A 62 -14.574 -21.189 0.764 1.00 31.21 H new ATOM 0 HE22 GLN A 62 -14.696 -19.441 0.989 1.00 31.21 H new ATOM 955 N ALA A 63 -12.747 -20.944 -1.754 1.00 23.32 N ATOM 956 CA ALA A 63 -11.298 -21.039 -1.624 1.00 0.14 C ATOM 957 C ALA A 63 -10.896 -21.372 -0.191 1.00 32.41 C ATOM 958 O ALA A 63 -11.387 -20.763 0.760 1.00 1.11 O ATOM 959 CB ALA A 63 -10.642 -19.740 -2.069 1.00 72.20 C ATOM 0 H ALA A 63 -13.137 -20.040 -1.486 1.00 23.32 H new ATOM 0 HA ALA A 63 -10.953 -21.848 -2.268 1.00 0.14 H new ATOM 0 HB1 ALA A 63 -9.560 -19.825 -1.967 1.00 72.20 H new ATOM 0 HB2 ALA A 63 -10.894 -19.544 -3.111 1.00 72.20 H new ATOM 0 HB3 ALA A 63 -11.002 -18.919 -1.448 1.00 72.20 H new ATOM 965 N HIS A 64 -10.001 -22.344 -0.043 1.00 73.10 N ATOM 966 CA HIS A 64 -9.534 -22.759 1.275 1.00 43.31 C ATOM 967 C HIS A 64 -8.082 -22.342 1.492 1.00 20.51 C ATOM 968 O HIS A 64 -7.355 -22.067 0.537 1.00 33.00 O ATOM 969 CB HIS A 64 -9.672 -24.273 1.435 1.00 4.02 C ATOM 970 CG HIS A 64 -11.076 -24.767 1.270 1.00 63.33 C ATOM 971 ND1 HIS A 64 -11.758 -24.710 0.073 1.00 65.35 N ATOM 972 CD2 HIS A 64 -11.926 -25.332 2.159 1.00 51.13 C ATOM 973 CE1 HIS A 64 -12.967 -25.217 0.233 1.00 51.33 C ATOM 974 NE2 HIS A 64 -13.095 -25.602 1.490 1.00 44.33 N ATOM 0 H HIS A 64 -9.585 -22.859 -0.819 1.00 73.10 H new ATOM 0 HA HIS A 64 -10.152 -22.265 2.025 1.00 43.31 H new ATOM 0 HB2 HIS A 64 -9.033 -24.767 0.703 1.00 4.02 H new ATOM 0 HB3 HIS A 64 -9.308 -24.561 2.421 1.00 4.02 H new ATOM 0 HD2 HIS A 64 -11.723 -25.533 3.200 1.00 51.13 H new ATOM 0 HE1 HIS A 64 -13.723 -25.302 -0.534 1.00 51.33 H new ATOM 0 HE2 HIS A 64 -13.926 -26.030 1.898 1.00 44.33 H new ATOM 982 N TYR A 65 -7.667 -22.298 2.753 1.00 22.20 N ATOM 983 CA TYR A 65 -6.303 -21.912 3.096 1.00 70.45 C ATOM 984 C TYR A 65 -5.735 -22.823 4.180 1.00 14.22 C ATOM 985 O TYR A 65 -6.430 -23.181 5.132 1.00 62.14 O ATOM 986 CB TYR A 65 -6.265 -20.457 3.564 1.00 1.23 C ATOM 987 CG TYR A 65 -6.731 -20.267 4.990 1.00 34.50 C ATOM 988 CD1 TYR A 65 -5.839 -20.356 6.051 1.00 33.34 C ATOM 989 CD2 TYR A 65 -8.064 -19.999 5.276 1.00 55.35 C ATOM 990 CE1 TYR A 65 -6.261 -20.185 7.356 1.00 54.35 C ATOM 991 CE2 TYR A 65 -8.495 -19.824 6.576 1.00 33.25 C ATOM 992 CZ TYR A 65 -7.590 -19.919 7.613 1.00 51.31 C ATOM 993 OH TYR A 65 -8.014 -19.746 8.911 1.00 53.24 O ATOM 0 H TYR A 65 -8.255 -22.525 3.555 1.00 22.20 H new ATOM 0 HA TYR A 65 -5.688 -22.015 2.202 1.00 70.45 H new ATOM 0 HB2 TYR A 65 -5.246 -20.081 3.470 1.00 1.23 H new ATOM 0 HB3 TYR A 65 -6.889 -19.855 2.903 1.00 1.23 H new ATOM 0 HD1 TYR A 65 -4.798 -20.562 5.853 1.00 33.34 H new ATOM 0 HD2 TYR A 65 -8.776 -19.926 4.467 1.00 55.35 H new ATOM 0 HE1 TYR A 65 -5.555 -20.259 8.170 1.00 54.35 H new ATOM 0 HE2 TYR A 65 -9.535 -19.614 6.780 1.00 33.25 H new ATOM 0 HH TYR A 65 -8.977 -19.565 8.919 1.00 53.24 H new ATOM 1003 N ARG A 66 -4.468 -23.193 4.029 1.00 2.45 N ATOM 1004 CA ARG A 66 -3.805 -24.061 4.995 1.00 75.42 C ATOM 1005 C ARG A 66 -3.521 -23.313 6.294 1.00 63.31 C ATOM 1006 O ARG A 66 -2.751 -22.353 6.313 1.00 62.41 O ATOM 1007 CB ARG A 66 -2.501 -24.607 4.411 1.00 3.42 C ATOM 1008 CG ARG A 66 -2.650 -25.968 3.752 1.00 32.02 C ATOM 1009 CD ARG A 66 -1.422 -26.835 3.979 1.00 4.22 C ATOM 1010 NE ARG A 66 -1.481 -28.079 3.217 1.00 40.03 N ATOM 1011 CZ ARG A 66 -0.609 -29.071 3.360 1.00 51.12 C ATOM 1012 NH1 ARG A 66 0.383 -28.965 4.232 1.00 5.23 N ATOM 1013 NH2 ARG A 66 -0.730 -30.172 2.630 1.00 64.25 N ATOM 0 H ARG A 66 -3.880 -22.905 3.247 1.00 2.45 H new ATOM 0 HA ARG A 66 -4.473 -24.894 5.215 1.00 75.42 H new ATOM 0 HB2 ARG A 66 -2.117 -23.898 3.678 1.00 3.42 H new ATOM 0 HB3 ARG A 66 -1.758 -24.677 5.206 1.00 3.42 H new ATOM 0 HG2 ARG A 66 -3.531 -26.472 4.150 1.00 32.02 H new ATOM 0 HG3 ARG A 66 -2.813 -25.839 2.682 1.00 32.02 H new ATOM 0 HD2 ARG A 66 -0.528 -26.279 3.696 1.00 4.22 H new ATOM 0 HD3 ARG A 66 -1.332 -27.064 5.041 1.00 4.22 H new ATOM 0 HE ARG A 66 -2.233 -28.193 2.537 1.00 40.03 H new ATOM 0 HH11 ARG A 66 0.479 -28.120 4.796 1.00 5.23 H new ATOM 0 HH12 ARG A 66 1.051 -29.728 4.340 1.00 5.23 H new ATOM 0 HH21 ARG A 66 -1.493 -30.257 1.958 1.00 64.25 H new ATOM 0 HH22 ARG A 66 -0.060 -30.933 2.740 1.00 64.25 H new ATOM 1027 N ALA A 67 -4.148 -23.760 7.377 1.00 4.44 N ATOM 1028 CA ALA A 67 -3.961 -23.134 8.680 1.00 5.34 C ATOM 1029 C ALA A 67 -2.705 -23.661 9.368 1.00 54.25 C ATOM 1030 O ALA A 67 -1.936 -24.418 8.777 1.00 31.44 O ATOM 1031 CB ALA A 67 -5.182 -23.366 9.558 1.00 42.14 C ATOM 0 H ALA A 67 -4.790 -24.553 7.378 1.00 4.44 H new ATOM 0 HA ALA A 67 -3.837 -22.062 8.525 1.00 5.34 H new ATOM 0 HB1 ALA A 67 -5.028 -22.893 10.528 1.00 42.14 H new ATOM 0 HB2 ALA A 67 -6.061 -22.935 9.080 1.00 42.14 H new ATOM 0 HB3 ALA A 67 -5.332 -24.437 9.696 1.00 42.14 H new ATOM 1037 N GLU A 68 -2.505 -23.254 10.617 1.00 32.13 N ATOM 1038 CA GLU A 68 -1.342 -23.685 11.383 1.00 24.31 C ATOM 1039 C GLU A 68 -1.268 -25.208 11.449 1.00 24.03 C ATOM 1040 O GLU A 68 -0.183 -25.784 11.542 1.00 15.25 O ATOM 1041 CB GLU A 68 -1.390 -23.104 12.798 1.00 75.13 C ATOM 1042 CG GLU A 68 -2.704 -23.363 13.517 1.00 25.11 C ATOM 1043 CD GLU A 68 -2.593 -23.177 15.018 1.00 51.51 C ATOM 1044 OE1 GLU A 68 -1.606 -23.667 15.605 1.00 44.41 O ATOM 1045 OE2 GLU A 68 -3.493 -22.541 15.605 1.00 35.22 O ATOM 0 H GLU A 68 -3.133 -22.627 11.120 1.00 32.13 H new ATOM 0 HA GLU A 68 -0.450 -23.316 10.877 1.00 24.31 H new ATOM 0 HB2 GLU A 68 -0.575 -23.528 13.384 1.00 75.13 H new ATOM 0 HB3 GLU A 68 -1.219 -22.029 12.746 1.00 75.13 H new ATOM 0 HG2 GLU A 68 -3.467 -22.689 13.126 1.00 25.11 H new ATOM 0 HG3 GLU A 68 -3.037 -24.379 13.304 1.00 25.11 H new ATOM 1052 N ARG A 69 -2.428 -25.854 11.401 1.00 53.40 N ATOM 1053 CA ARG A 69 -2.496 -27.309 11.457 1.00 10.22 C ATOM 1054 C ARG A 69 -2.325 -27.915 10.067 1.00 31.24 C ATOM 1055 O ARG A 69 -1.878 -29.052 9.926 1.00 61.51 O ATOM 1056 CB ARG A 69 -3.829 -27.756 12.060 1.00 52.32 C ATOM 1057 CG ARG A 69 -4.035 -27.293 13.493 1.00 54.11 C ATOM 1058 CD ARG A 69 -3.185 -28.095 14.465 1.00 32.42 C ATOM 1059 NE ARG A 69 -3.590 -27.882 15.852 1.00 52.41 N ATOM 1060 CZ ARG A 69 -2.857 -28.249 16.897 1.00 42.12 C ATOM 1061 NH1 ARG A 69 -1.687 -28.845 16.713 1.00 2.20 N ATOM 1062 NH2 ARG A 69 -3.293 -28.020 18.129 1.00 53.23 N ATOM 0 H ARG A 69 -3.334 -25.392 11.323 1.00 53.40 H new ATOM 0 HA ARG A 69 -1.682 -27.662 12.091 1.00 10.22 H new ATOM 0 HB2 ARG A 69 -4.643 -27.375 11.443 1.00 52.32 H new ATOM 0 HB3 ARG A 69 -3.886 -28.844 12.027 1.00 52.32 H new ATOM 0 HG2 ARG A 69 -3.783 -26.236 13.575 1.00 54.11 H new ATOM 0 HG3 ARG A 69 -5.087 -27.392 13.761 1.00 54.11 H new ATOM 0 HD2 ARG A 69 -3.262 -29.155 14.224 1.00 32.42 H new ATOM 0 HD3 ARG A 69 -2.138 -27.816 14.346 1.00 32.42 H new ATOM 0 HE ARG A 69 -4.485 -27.426 16.028 1.00 52.41 H new ATOM 0 HH11 ARG A 69 -1.348 -29.022 15.767 1.00 2.20 H new ATOM 0 HH12 ARG A 69 -1.126 -29.126 17.517 1.00 2.20 H new ATOM 0 HH21 ARG A 69 -4.192 -27.561 18.275 1.00 53.23 H new ATOM 0 HH22 ARG A 69 -2.729 -28.303 18.930 1.00 53.23 H new ATOM 1076 N GLY A 70 -2.685 -27.147 9.044 1.00 53.14 N ATOM 1077 CA GLY A 70 -2.565 -27.625 7.679 1.00 60.42 C ATOM 1078 C GLY A 70 -3.882 -28.128 7.123 1.00 73.25 C ATOM 1079 O GLY A 70 -3.906 -28.883 6.150 1.00 43.31 O ATOM 0 H GLY A 70 -3.058 -26.202 9.136 1.00 53.14 H new ATOM 0 HA2 GLY A 70 -2.191 -26.820 7.047 1.00 60.42 H new ATOM 0 HA3 GLY A 70 -1.828 -28.427 7.642 1.00 60.42 H new ATOM 1083 N ASP A 71 -4.981 -27.711 7.741 1.00 35.42 N ATOM 1084 CA ASP A 71 -6.309 -28.125 7.302 1.00 13.24 C ATOM 1085 C ASP A 71 -6.853 -27.172 6.243 1.00 43.45 C ATOM 1086 O ASP A 71 -6.248 -26.138 5.954 1.00 55.24 O ATOM 1087 CB ASP A 71 -7.268 -28.184 8.493 1.00 41.42 C ATOM 1088 CG ASP A 71 -7.051 -29.414 9.351 1.00 63.53 C ATOM 1089 OD1 ASP A 71 -6.040 -29.457 10.082 1.00 5.40 O ATOM 1090 OD2 ASP A 71 -7.891 -30.336 9.290 1.00 34.23 O ATOM 0 H ASP A 71 -4.979 -27.087 8.548 1.00 35.42 H new ATOM 0 HA ASP A 71 -6.226 -29.119 6.862 1.00 13.24 H new ATOM 0 HB2 ASP A 71 -7.139 -27.291 9.104 1.00 41.42 H new ATOM 0 HB3 ASP A 71 -8.295 -28.175 8.129 1.00 41.42 H new ATOM 1095 N LEU A 72 -7.995 -27.526 5.666 1.00 75.15 N ATOM 1096 CA LEU A 72 -8.621 -26.703 4.636 1.00 5.22 C ATOM 1097 C LEU A 72 -9.789 -25.908 5.210 1.00 75.33 C ATOM 1098 O LEU A 72 -10.784 -26.481 5.655 1.00 21.04 O ATOM 1099 CB LEU A 72 -9.103 -27.578 3.478 1.00 34.35 C ATOM 1100 CG LEU A 72 -8.015 -28.144 2.565 1.00 0.15 C ATOM 1101 CD1 LEU A 72 -8.631 -28.984 1.457 1.00 11.24 C ATOM 1102 CD2 LEU A 72 -7.173 -27.020 1.980 1.00 42.12 C ATOM 0 H LEU A 72 -8.508 -28.378 5.893 1.00 75.15 H new ATOM 0 HA LEU A 72 -7.875 -26.000 4.264 1.00 5.22 H new ATOM 0 HB2 LEU A 72 -9.672 -28.411 3.891 1.00 34.35 H new ATOM 0 HB3 LEU A 72 -9.792 -26.992 2.869 1.00 34.35 H new ATOM 0 HG LEU A 72 -7.365 -28.786 3.160 1.00 0.15 H new ATOM 0 HD11 LEU A 72 -7.841 -29.378 0.817 1.00 11.24 H new ATOM 0 HD12 LEU A 72 -9.190 -29.811 1.895 1.00 11.24 H new ATOM 0 HD13 LEU A 72 -9.304 -28.366 0.863 1.00 11.24 H new ATOM 0 HD21 LEU A 72 -6.404 -27.441 1.333 1.00 42.12 H new ATOM 0 HD22 LEU A 72 -7.810 -26.352 1.400 1.00 42.12 H new ATOM 0 HD23 LEU A 72 -6.701 -26.460 2.788 1.00 42.12 H new ATOM 1114 N VAL A 73 -9.664 -24.585 5.193 1.00 23.04 N ATOM 1115 CA VAL A 73 -10.711 -23.711 5.709 1.00 61.13 C ATOM 1116 C VAL A 73 -11.233 -22.779 4.621 1.00 2.34 C ATOM 1117 O VAL A 73 -10.561 -21.823 4.234 1.00 33.01 O ATOM 1118 CB VAL A 73 -10.205 -22.867 6.894 1.00 70.51 C ATOM 1119 CG1 VAL A 73 -11.298 -21.933 7.389 1.00 32.15 C ATOM 1120 CG2 VAL A 73 -9.713 -23.768 8.017 1.00 64.04 C ATOM 0 H VAL A 73 -8.848 -24.095 4.827 1.00 23.04 H new ATOM 0 HA VAL A 73 -11.521 -24.355 6.052 1.00 61.13 H new ATOM 0 HB VAL A 73 -9.367 -22.258 6.553 1.00 70.51 H new ATOM 0 HG11 VAL A 73 -10.922 -21.345 8.226 1.00 32.15 H new ATOM 0 HG12 VAL A 73 -11.599 -21.265 6.582 1.00 32.15 H new ATOM 0 HG13 VAL A 73 -12.158 -22.519 7.714 1.00 32.15 H new ATOM 0 HG21 VAL A 73 -9.359 -23.156 8.846 1.00 64.04 H new ATOM 0 HG22 VAL A 73 -10.530 -24.403 8.358 1.00 64.04 H new ATOM 0 HG23 VAL A 73 -8.897 -24.391 7.652 1.00 64.04 H new ATOM 1130 N ALA A 74 -12.436 -23.063 4.133 1.00 23.00 N ATOM 1131 CA ALA A 74 -13.050 -22.248 3.092 1.00 64.31 C ATOM 1132 C ALA A 74 -13.304 -20.828 3.585 1.00 53.02 C ATOM 1133 O ALA A 74 -14.224 -20.587 4.367 1.00 72.11 O ATOM 1134 CB ALA A 74 -14.348 -22.886 2.620 1.00 42.14 C ATOM 0 H ALA A 74 -13.005 -23.851 4.442 1.00 23.00 H new ATOM 0 HA ALA A 74 -12.358 -22.194 2.251 1.00 64.31 H new ATOM 0 HB1 ALA A 74 -14.796 -22.267 1.843 1.00 42.14 H new ATOM 0 HB2 ALA A 74 -14.141 -23.878 2.219 1.00 42.14 H new ATOM 0 HB3 ALA A 74 -15.038 -22.970 3.459 1.00 42.14 H new ATOM 1140 N PHE A 75 -12.483 -19.890 3.123 1.00 34.33 N ATOM 1141 CA PHE A 75 -12.619 -18.493 3.519 1.00 20.40 C ATOM 1142 C PHE A 75 -13.495 -17.730 2.530 1.00 73.51 C ATOM 1143 O PHE A 75 -13.420 -17.949 1.321 1.00 52.12 O ATOM 1144 CB PHE A 75 -11.242 -17.832 3.613 1.00 34.15 C ATOM 1145 CG PHE A 75 -10.510 -17.782 2.303 1.00 31.31 C ATOM 1146 CD1 PHE A 75 -10.700 -16.725 1.428 1.00 2.31 C ATOM 1147 CD2 PHE A 75 -9.632 -18.793 1.946 1.00 3.44 C ATOM 1148 CE1 PHE A 75 -10.028 -16.677 0.221 1.00 22.04 C ATOM 1149 CE2 PHE A 75 -8.956 -18.750 0.741 1.00 34.10 C ATOM 1150 CZ PHE A 75 -9.154 -17.690 -0.122 1.00 71.21 C ATOM 0 H PHE A 75 -11.717 -20.072 2.474 1.00 34.33 H new ATOM 0 HA PHE A 75 -13.097 -18.464 4.498 1.00 20.40 H new ATOM 0 HB2 PHE A 75 -11.360 -16.817 3.993 1.00 34.15 H new ATOM 0 HB3 PHE A 75 -10.636 -18.375 4.338 1.00 34.15 H new ATOM 0 HD1 PHE A 75 -11.381 -15.929 1.692 1.00 2.31 H new ATOM 0 HD2 PHE A 75 -9.474 -19.624 2.617 1.00 3.44 H new ATOM 0 HE1 PHE A 75 -10.186 -15.848 -0.453 1.00 22.04 H new ATOM 0 HE2 PHE A 75 -8.274 -19.544 0.475 1.00 34.10 H new ATOM 0 HZ PHE A 75 -8.626 -17.653 -1.064 1.00 71.21 H new ATOM 1160 N SER A 76 -14.327 -16.835 3.053 1.00 5.03 N ATOM 1161 CA SER A 76 -15.221 -16.042 2.218 1.00 61.32 C ATOM 1162 C SER A 76 -15.588 -14.731 2.907 1.00 72.44 C ATOM 1163 O SER A 76 -16.728 -14.274 2.828 1.00 73.13 O ATOM 1164 CB SER A 76 -16.489 -16.835 1.896 1.00 31.32 C ATOM 1165 OG SER A 76 -17.238 -17.098 3.070 1.00 23.23 O ATOM 0 H SER A 76 -14.400 -16.641 4.052 1.00 5.03 H new ATOM 0 HA SER A 76 -14.700 -15.810 1.289 1.00 61.32 H new ATOM 0 HB2 SER A 76 -17.101 -16.276 1.188 1.00 31.32 H new ATOM 0 HB3 SER A 76 -16.221 -17.775 1.414 1.00 31.32 H new ATOM 0 HG SER A 76 -18.044 -17.604 2.837 1.00 23.23 H new ATOM 1171 N SER A 77 -14.613 -14.132 3.582 1.00 11.22 N ATOM 1172 CA SER A 77 -14.833 -12.875 4.289 1.00 73.42 C ATOM 1173 C SER A 77 -13.507 -12.188 4.600 1.00 14.33 C ATOM 1174 O SER A 77 -12.484 -12.845 4.789 1.00 63.25 O ATOM 1175 CB SER A 77 -15.609 -13.123 5.584 1.00 61.30 C ATOM 1176 OG SER A 77 -15.950 -11.902 6.216 1.00 41.40 O ATOM 0 H SER A 77 -13.663 -14.496 3.655 1.00 11.22 H new ATOM 0 HA SER A 77 -15.418 -12.220 3.643 1.00 73.42 H new ATOM 0 HB2 SER A 77 -16.515 -13.689 5.366 1.00 61.30 H new ATOM 0 HB3 SER A 77 -15.009 -13.731 6.261 1.00 61.30 H new ATOM 0 HG SER A 77 -16.447 -12.088 7.040 1.00 41.40 H new ATOM 1182 N ASP A 78 -13.535 -10.861 4.653 1.00 43.32 N ATOM 1183 CA ASP A 78 -12.336 -10.082 4.942 1.00 31.14 C ATOM 1184 C ASP A 78 -11.685 -10.549 6.241 1.00 54.03 C ATOM 1185 O ASP A 78 -10.461 -10.610 6.345 1.00 41.12 O ATOM 1186 CB ASP A 78 -12.679 -8.594 5.035 1.00 25.32 C ATOM 1187 CG ASP A 78 -13.633 -8.290 6.173 1.00 54.13 C ATOM 1188 OD1 ASP A 78 -14.724 -8.897 6.210 1.00 24.43 O ATOM 1189 OD2 ASP A 78 -13.291 -7.443 7.025 1.00 61.50 O ATOM 0 H ASP A 78 -14.374 -10.302 4.500 1.00 43.32 H new ATOM 0 HA ASP A 78 -11.628 -10.233 4.127 1.00 31.14 H new ATOM 0 HB2 ASP A 78 -11.762 -8.021 5.170 1.00 25.32 H new ATOM 0 HB3 ASP A 78 -13.123 -8.267 4.095 1.00 25.32 H new ATOM 1194 N GLU A 79 -12.514 -10.876 7.228 1.00 63.23 N ATOM 1195 CA GLU A 79 -12.018 -11.336 8.520 1.00 43.43 C ATOM 1196 C GLU A 79 -11.265 -12.655 8.376 1.00 61.14 C ATOM 1197 O GLU A 79 -10.410 -12.986 9.196 1.00 3.22 O ATOM 1198 CB GLU A 79 -13.176 -11.502 9.506 1.00 42.51 C ATOM 1199 CG GLU A 79 -14.093 -12.668 9.177 1.00 1.50 C ATOM 1200 CD GLU A 79 -15.200 -12.845 10.198 1.00 52.43 C ATOM 1201 OE1 GLU A 79 -16.084 -11.965 10.272 1.00 21.20 O ATOM 1202 OE2 GLU A 79 -15.183 -13.862 10.922 1.00 52.40 O ATOM 0 H GLU A 79 -13.531 -10.831 7.158 1.00 63.23 H new ATOM 0 HA GLU A 79 -11.328 -10.584 8.904 1.00 43.43 H new ATOM 0 HB2 GLU A 79 -12.771 -11.641 10.509 1.00 42.51 H new ATOM 0 HB3 GLU A 79 -13.762 -10.583 9.523 1.00 42.51 H new ATOM 0 HG2 GLU A 79 -14.534 -12.512 8.192 1.00 1.50 H new ATOM 0 HG3 GLU A 79 -13.505 -13.584 9.122 1.00 1.50 H new ATOM 1209 N GLU A 80 -11.591 -13.404 7.327 1.00 63.12 N ATOM 1210 CA GLU A 80 -10.946 -14.688 7.076 1.00 13.01 C ATOM 1211 C GLU A 80 -9.583 -14.493 6.419 1.00 71.44 C ATOM 1212 O GLU A 80 -8.651 -15.264 6.655 1.00 54.31 O ATOM 1213 CB GLU A 80 -11.833 -15.564 6.188 1.00 3.12 C ATOM 1214 CG GLU A 80 -13.173 -15.908 6.816 1.00 2.14 C ATOM 1215 CD GLU A 80 -13.030 -16.726 8.085 1.00 64.31 C ATOM 1216 OE1 GLU A 80 -12.744 -16.133 9.145 1.00 5.25 O ATOM 1217 OE2 GLU A 80 -13.204 -17.961 8.016 1.00 31.12 O ATOM 0 H GLU A 80 -12.297 -13.144 6.638 1.00 63.12 H new ATOM 0 HA GLU A 80 -10.799 -15.186 8.034 1.00 13.01 H new ATOM 0 HB2 GLU A 80 -12.006 -15.050 5.242 1.00 3.12 H new ATOM 0 HB3 GLU A 80 -11.302 -16.487 5.957 1.00 3.12 H new ATOM 0 HG2 GLU A 80 -13.712 -14.987 7.040 1.00 2.14 H new ATOM 0 HG3 GLU A 80 -13.775 -16.463 6.097 1.00 2.14 H new ATOM 1224 N LEU A 81 -9.474 -13.459 5.592 1.00 60.30 N ATOM 1225 CA LEU A 81 -8.225 -13.162 4.899 1.00 72.32 C ATOM 1226 C LEU A 81 -7.174 -12.637 5.871 1.00 13.43 C ATOM 1227 O LEU A 81 -6.056 -13.148 5.930 1.00 25.14 O ATOM 1228 CB LEU A 81 -8.466 -12.138 3.788 1.00 34.42 C ATOM 1229 CG LEU A 81 -9.009 -12.693 2.470 1.00 3.24 C ATOM 1230 CD1 LEU A 81 -8.071 -13.751 1.910 1.00 1.12 C ATOM 1231 CD2 LEU A 81 -10.405 -13.265 2.667 1.00 61.31 C ATOM 0 H LEU A 81 -10.235 -12.812 5.385 1.00 60.30 H new ATOM 0 HA LEU A 81 -7.854 -14.087 4.458 1.00 72.32 H new ATOM 0 HB2 LEU A 81 -9.164 -11.387 4.158 1.00 34.42 H new ATOM 0 HB3 LEU A 81 -7.526 -11.625 3.584 1.00 34.42 H new ATOM 0 HG LEU A 81 -9.072 -11.876 1.752 1.00 3.24 H new ATOM 0 HD11 LEU A 81 -8.473 -14.135 0.972 1.00 1.12 H new ATOM 0 HD12 LEU A 81 -7.091 -13.310 1.731 1.00 1.12 H new ATOM 0 HD13 LEU A 81 -7.976 -14.568 2.625 1.00 1.12 H new ATOM 0 HD21 LEU A 81 -10.775 -13.655 1.719 1.00 61.31 H new ATOM 0 HD22 LEU A 81 -10.368 -14.070 3.401 1.00 61.31 H new ATOM 0 HD23 LEU A 81 -11.073 -12.480 3.022 1.00 61.31 H new ATOM 1243 N THR A 82 -7.542 -11.612 6.635 1.00 22.30 N ATOM 1244 CA THR A 82 -6.632 -11.018 7.606 1.00 41.31 C ATOM 1245 C THR A 82 -6.035 -12.080 8.522 1.00 1.32 C ATOM 1246 O THR A 82 -4.912 -11.936 9.004 1.00 22.54 O ATOM 1247 CB THR A 82 -7.343 -9.956 8.465 1.00 11.53 C ATOM 1248 OG1 THR A 82 -6.376 -9.163 9.163 1.00 15.43 O ATOM 1249 CG2 THR A 82 -8.286 -10.610 9.464 1.00 51.13 C ATOM 0 H THR A 82 -8.464 -11.177 6.599 1.00 22.30 H new ATOM 0 HA THR A 82 -5.833 -10.541 7.039 1.00 41.31 H new ATOM 0 HB THR A 82 -7.927 -9.317 7.803 1.00 11.53 H new ATOM 0 HG1 THR A 82 -6.836 -8.489 9.706 1.00 15.43 H new ATOM 0 HG21 THR A 82 -8.777 -9.840 10.059 1.00 51.13 H new ATOM 0 HG22 THR A 82 -9.038 -11.189 8.929 1.00 51.13 H new ATOM 0 HG23 THR A 82 -7.719 -11.270 10.121 1.00 51.13 H new ATOM 1257 N MET A 83 -6.793 -13.146 8.758 1.00 51.54 N ATOM 1258 CA MET A 83 -6.337 -14.233 9.615 1.00 22.13 C ATOM 1259 C MET A 83 -5.455 -15.205 8.838 1.00 72.32 C ATOM 1260 O MET A 83 -4.418 -15.648 9.331 1.00 35.12 O ATOM 1261 CB MET A 83 -7.533 -14.977 10.212 1.00 12.21 C ATOM 1262 CG MET A 83 -7.276 -15.520 11.608 1.00 11.14 C ATOM 1263 SD MET A 83 -8.684 -15.293 12.712 1.00 2.00 S ATOM 1264 CE MET A 83 -10.032 -15.804 11.650 1.00 75.00 C ATOM 0 H MET A 83 -7.726 -13.280 8.367 1.00 51.54 H new ATOM 0 HA MET A 83 -5.747 -13.801 10.423 1.00 22.13 H new ATOM 0 HB2 MET A 83 -8.390 -14.304 10.245 1.00 12.21 H new ATOM 0 HB3 MET A 83 -7.802 -15.803 9.554 1.00 12.21 H new ATOM 0 HG2 MET A 83 -7.038 -16.582 11.543 1.00 11.14 H new ATOM 0 HG3 MET A 83 -6.403 -15.023 12.032 1.00 11.14 H new ATOM 0 HE1 MET A 83 -10.825 -16.244 12.255 1.00 75.00 H new ATOM 0 HE2 MET A 83 -10.422 -14.938 11.115 1.00 75.00 H new ATOM 0 HE3 MET A 83 -9.671 -16.541 10.933 1.00 75.00 H new ATOM 1274 N ALA A 84 -5.875 -15.533 7.620 1.00 24.31 N ATOM 1275 CA ALA A 84 -5.122 -16.452 6.774 1.00 0.55 C ATOM 1276 C ALA A 84 -3.710 -15.933 6.522 1.00 73.22 C ATOM 1277 O ALA A 84 -2.733 -16.664 6.682 1.00 10.33 O ATOM 1278 CB ALA A 84 -5.849 -16.672 5.456 1.00 13.53 C ATOM 0 H ALA A 84 -6.732 -15.176 7.197 1.00 24.31 H new ATOM 0 HA ALA A 84 -5.043 -17.406 7.296 1.00 0.55 H new ATOM 0 HB1 ALA A 84 -5.276 -17.360 4.835 1.00 13.53 H new ATOM 0 HB2 ALA A 84 -6.835 -17.094 5.650 1.00 13.53 H new ATOM 0 HB3 ALA A 84 -5.958 -15.720 4.937 1.00 13.53 H new ATOM 1284 N MET A 85 -3.611 -14.669 6.125 1.00 13.32 N ATOM 1285 CA MET A 85 -2.318 -14.053 5.851 1.00 70.22 C ATOM 1286 C MET A 85 -1.433 -14.071 7.093 1.00 12.32 C ATOM 1287 O MET A 85 -0.209 -13.992 6.996 1.00 44.44 O ATOM 1288 CB MET A 85 -2.507 -12.615 5.365 1.00 44.21 C ATOM 1289 CG MET A 85 -3.325 -12.507 4.088 1.00 2.14 C ATOM 1290 SD MET A 85 -2.486 -13.225 2.663 1.00 70.20 S ATOM 1291 CE MET A 85 -2.394 -11.806 1.574 1.00 73.32 C ATOM 0 H MET A 85 -4.411 -14.051 5.986 1.00 13.32 H new ATOM 0 HA MET A 85 -1.827 -14.631 5.069 1.00 70.22 H new ATOM 0 HB2 MET A 85 -2.995 -12.036 6.149 1.00 44.21 H new ATOM 0 HB3 MET A 85 -1.528 -12.165 5.199 1.00 44.21 H new ATOM 0 HG2 MET A 85 -4.283 -13.008 4.231 1.00 2.14 H new ATOM 0 HG3 MET A 85 -3.541 -11.458 3.887 1.00 2.14 H new ATOM 0 HE1 MET A 85 -2.646 -12.110 0.558 1.00 73.32 H new ATOM 0 HE2 MET A 85 -3.097 -11.043 1.910 1.00 73.32 H new ATOM 0 HE3 MET A 85 -1.383 -11.400 1.590 1.00 73.32 H new ATOM 1301 N SER A 86 -2.061 -14.175 8.260 1.00 10.51 N ATOM 1302 CA SER A 86 -1.330 -14.198 9.522 1.00 73.22 C ATOM 1303 C SER A 86 -0.460 -15.447 9.622 1.00 33.44 C ATOM 1304 O SER A 86 0.520 -15.477 10.367 1.00 12.31 O ATOM 1305 CB SER A 86 -2.304 -14.145 10.701 1.00 51.24 C ATOM 1306 OG SER A 86 -1.657 -13.691 11.877 1.00 41.34 O ATOM 0 H SER A 86 -3.074 -14.245 8.358 1.00 10.51 H new ATOM 0 HA SER A 86 -0.683 -13.322 9.555 1.00 73.22 H new ATOM 0 HB2 SER A 86 -3.135 -13.482 10.461 1.00 51.24 H new ATOM 0 HB3 SER A 86 -2.726 -15.135 10.873 1.00 51.24 H new ATOM 0 HG SER A 86 -2.301 -13.665 12.615 1.00 41.34 H new ATOM 1312 N TYR A 87 -0.826 -16.477 8.868 1.00 60.44 N ATOM 1313 CA TYR A 87 -0.081 -17.731 8.872 1.00 34.05 C ATOM 1314 C TYR A 87 1.038 -17.704 7.837 1.00 44.33 C ATOM 1315 O TYR A 87 2.030 -18.423 7.958 1.00 2.31 O ATOM 1316 CB TYR A 87 -1.020 -18.907 8.595 1.00 44.22 C ATOM 1317 CG TYR A 87 -2.105 -19.074 9.634 1.00 52.31 C ATOM 1318 CD1 TYR A 87 -3.280 -18.335 9.565 1.00 4.33 C ATOM 1319 CD2 TYR A 87 -1.957 -19.972 10.684 1.00 44.40 C ATOM 1320 CE1 TYR A 87 -4.274 -18.484 10.513 1.00 44.41 C ATOM 1321 CE2 TYR A 87 -2.946 -20.128 11.635 1.00 20.13 C ATOM 1322 CZ TYR A 87 -4.102 -19.382 11.546 1.00 53.42 C ATOM 1323 OH TYR A 87 -5.091 -19.534 12.491 1.00 42.20 O ATOM 0 H TYR A 87 -1.634 -16.469 8.246 1.00 60.44 H new ATOM 0 HA TYR A 87 0.365 -17.856 9.859 1.00 34.05 H new ATOM 0 HB2 TYR A 87 -1.483 -18.769 7.618 1.00 44.22 H new ATOM 0 HB3 TYR A 87 -0.434 -19.825 8.543 1.00 44.22 H new ATOM 0 HD1 TYR A 87 -3.418 -17.632 8.757 1.00 4.33 H new ATOM 0 HD2 TYR A 87 -1.053 -20.558 10.758 1.00 44.40 H new ATOM 0 HE1 TYR A 87 -5.180 -17.901 10.446 1.00 44.41 H new ATOM 0 HE2 TYR A 87 -2.815 -20.831 12.444 1.00 20.13 H new ATOM 0 HH TYR A 87 -4.814 -20.205 13.149 1.00 42.20 H new ATOM 1333 N VAL A 88 0.872 -16.867 6.817 1.00 60.31 N ATOM 1334 CA VAL A 88 1.868 -16.743 5.760 1.00 62.24 C ATOM 1335 C VAL A 88 3.029 -15.857 6.199 1.00 34.51 C ATOM 1336 O VAL A 88 2.917 -14.631 6.215 1.00 22.55 O ATOM 1337 CB VAL A 88 1.252 -16.162 4.473 1.00 31.21 C ATOM 1338 CG1 VAL A 88 2.276 -16.151 3.348 1.00 34.41 C ATOM 1339 CG2 VAL A 88 0.015 -16.952 4.072 1.00 51.50 C ATOM 0 H VAL A 88 0.057 -16.265 6.701 1.00 60.31 H new ATOM 0 HA VAL A 88 2.238 -17.748 5.556 1.00 62.24 H new ATOM 0 HB VAL A 88 0.951 -15.133 4.667 1.00 31.21 H new ATOM 0 HG11 VAL A 88 1.823 -15.737 2.447 1.00 34.41 H new ATOM 0 HG12 VAL A 88 3.129 -15.538 3.639 1.00 34.41 H new ATOM 0 HG13 VAL A 88 2.611 -17.169 3.151 1.00 34.41 H new ATOM 0 HG21 VAL A 88 -0.408 -16.528 3.161 1.00 51.50 H new ATOM 0 HG22 VAL A 88 0.289 -17.992 3.895 1.00 51.50 H new ATOM 0 HG23 VAL A 88 -0.724 -16.902 4.872 1.00 51.50 H new ATOM 1349 N LYS A 89 4.144 -16.486 6.555 1.00 72.22 N ATOM 1350 CA LYS A 89 5.328 -15.757 6.993 1.00 15.53 C ATOM 1351 C LYS A 89 6.114 -15.227 5.798 1.00 22.44 C ATOM 1352 O LYS A 89 6.975 -14.360 5.945 1.00 0.50 O ATOM 1353 CB LYS A 89 6.221 -16.659 7.847 1.00 64.35 C ATOM 1354 CG LYS A 89 7.044 -15.903 8.875 1.00 21.35 C ATOM 1355 CD LYS A 89 6.347 -15.861 10.225 1.00 60.10 C ATOM 1356 CE LYS A 89 5.476 -14.622 10.364 1.00 74.23 C ATOM 1357 NZ LYS A 89 6.281 -13.370 10.326 1.00 23.30 N ATOM 0 H LYS A 89 4.252 -17.500 6.549 1.00 72.22 H new ATOM 0 HA LYS A 89 5.000 -14.909 7.594 1.00 15.53 H new ATOM 0 HB2 LYS A 89 5.598 -17.392 8.360 1.00 64.35 H new ATOM 0 HB3 LYS A 89 6.893 -17.214 7.193 1.00 64.35 H new ATOM 0 HG2 LYS A 89 8.019 -16.378 8.982 1.00 21.35 H new ATOM 0 HG3 LYS A 89 7.222 -14.886 8.524 1.00 21.35 H new ATOM 0 HD2 LYS A 89 5.734 -16.754 10.347 1.00 60.10 H new ATOM 0 HD3 LYS A 89 7.092 -15.875 11.021 1.00 60.10 H new ATOM 0 HE2 LYS A 89 4.739 -14.604 9.561 1.00 74.23 H new ATOM 0 HE3 LYS A 89 4.924 -14.670 11.302 1.00 74.23 H new ATOM 0 HZ1 LYS A 89 5.787 -12.623 10.855 1.00 23.30 H new ATOM 0 HZ2 LYS A 89 7.211 -13.542 10.758 1.00 23.30 H new ATOM 0 HZ3 LYS A 89 6.408 -13.069 9.339 1.00 23.30 H new ATOM 1371 N ASP A 90 5.812 -15.754 4.617 1.00 62.41 N ATOM 1372 CA ASP A 90 6.490 -15.333 3.396 1.00 15.01 C ATOM 1373 C ASP A 90 5.612 -14.382 2.588 1.00 11.14 C ATOM 1374 O ASP A 90 4.585 -13.906 3.073 1.00 5.44 O ATOM 1375 CB ASP A 90 6.860 -16.550 2.547 1.00 2.01 C ATOM 1376 CG ASP A 90 7.431 -17.683 3.377 1.00 13.03 C ATOM 1377 OD1 ASP A 90 8.237 -17.403 4.289 1.00 32.15 O ATOM 1378 OD2 ASP A 90 7.071 -18.849 3.115 1.00 34.54 O ATOM 0 H ASP A 90 5.102 -16.473 4.479 1.00 62.41 H new ATOM 0 HA ASP A 90 7.402 -14.806 3.679 1.00 15.01 H new ATOM 0 HB2 ASP A 90 5.975 -16.902 2.017 1.00 2.01 H new ATOM 0 HB3 ASP A 90 7.588 -16.254 1.791 1.00 2.01 H new ATOM 1383 N ASP A 91 6.023 -14.109 1.355 1.00 22.30 N ATOM 1384 CA ASP A 91 5.275 -13.215 0.480 1.00 54.05 C ATOM 1385 C ASP A 91 4.444 -14.008 -0.525 1.00 40.50 C ATOM 1386 O ASP A 91 4.078 -13.495 -1.583 1.00 73.42 O ATOM 1387 CB ASP A 91 6.228 -12.273 -0.258 1.00 74.21 C ATOM 1388 CG ASP A 91 6.788 -11.193 0.645 1.00 3.44 C ATOM 1389 OD1 ASP A 91 6.279 -11.041 1.776 1.00 41.42 O ATOM 1390 OD2 ASP A 91 7.737 -10.499 0.222 1.00 32.45 O ATOM 0 H ASP A 91 6.871 -14.494 0.939 1.00 22.30 H new ATOM 0 HA ASP A 91 4.599 -12.624 1.098 1.00 54.05 H new ATOM 0 HB2 ASP A 91 7.050 -12.851 -0.681 1.00 74.21 H new ATOM 0 HB3 ASP A 91 5.702 -11.809 -1.092 1.00 74.21 H new ATOM 1395 N ILE A 92 4.152 -15.259 -0.187 1.00 13.32 N ATOM 1396 CA ILE A 92 3.365 -16.121 -1.059 1.00 73.33 C ATOM 1397 C ILE A 92 2.124 -16.643 -0.343 1.00 31.04 C ATOM 1398 O ILE A 92 2.223 -17.306 0.690 1.00 11.01 O ATOM 1399 CB ILE A 92 4.193 -17.317 -1.564 1.00 71.54 C ATOM 1400 CG1 ILE A 92 5.424 -16.827 -2.329 1.00 3.34 C ATOM 1401 CG2 ILE A 92 3.340 -18.218 -2.445 1.00 41.15 C ATOM 1402 CD1 ILE A 92 6.292 -17.946 -2.860 1.00 33.42 C ATOM 0 H ILE A 92 4.449 -15.698 0.685 1.00 13.32 H new ATOM 0 HA ILE A 92 3.061 -15.514 -1.911 1.00 73.33 H new ATOM 0 HB ILE A 92 4.529 -17.895 -0.704 1.00 71.54 H new ATOM 0 HG12 ILE A 92 5.099 -16.204 -3.162 1.00 3.34 H new ATOM 0 HG13 ILE A 92 6.022 -16.195 -1.672 1.00 3.34 H new ATOM 0 HG21 ILE A 92 3.940 -19.059 -2.794 1.00 41.15 H new ATOM 0 HG22 ILE A 92 2.492 -18.591 -1.871 1.00 41.15 H new ATOM 0 HG23 ILE A 92 2.977 -17.651 -3.302 1.00 41.15 H new ATOM 0 HD11 ILE A 92 7.145 -17.524 -3.391 1.00 33.42 H new ATOM 0 HD12 ILE A 92 6.647 -18.556 -2.030 1.00 33.42 H new ATOM 0 HD13 ILE A 92 5.710 -18.565 -3.543 1.00 33.42 H new ATOM 1414 N PHE A 93 0.955 -16.341 -0.898 1.00 43.35 N ATOM 1415 CA PHE A 93 -0.306 -16.780 -0.313 1.00 51.21 C ATOM 1416 C PHE A 93 -0.881 -17.964 -1.085 1.00 50.32 C ATOM 1417 O PHE A 93 -1.359 -17.812 -2.210 1.00 31.05 O ATOM 1418 CB PHE A 93 -1.314 -15.628 -0.298 1.00 22.50 C ATOM 1419 CG PHE A 93 -2.626 -15.989 0.337 1.00 12.14 C ATOM 1420 CD1 PHE A 93 -2.664 -16.641 1.559 1.00 24.40 C ATOM 1421 CD2 PHE A 93 -3.823 -15.676 -0.288 1.00 4.35 C ATOM 1422 CE1 PHE A 93 -3.870 -16.974 2.147 1.00 63.23 C ATOM 1423 CE2 PHE A 93 -5.032 -16.006 0.295 1.00 5.44 C ATOM 1424 CZ PHE A 93 -5.055 -16.657 1.513 1.00 11.33 C ATOM 0 H PHE A 93 0.855 -15.794 -1.753 1.00 43.35 H new ATOM 0 HA PHE A 93 -0.112 -17.097 0.712 1.00 51.21 H new ATOM 0 HB2 PHE A 93 -0.880 -14.783 0.237 1.00 22.50 H new ATOM 0 HB3 PHE A 93 -1.493 -15.299 -1.322 1.00 22.50 H new ATOM 0 HD1 PHE A 93 -1.740 -16.892 2.058 1.00 24.40 H new ATOM 0 HD2 PHE A 93 -3.811 -15.169 -1.241 1.00 4.35 H new ATOM 0 HE1 PHE A 93 -3.885 -17.481 3.100 1.00 63.23 H new ATOM 0 HE2 PHE A 93 -5.958 -15.755 -0.201 1.00 5.44 H new ATOM 0 HZ PHE A 93 -5.999 -16.918 1.969 1.00 11.33 H new ATOM 1434 N ARG A 94 -0.830 -19.142 -0.473 1.00 71.33 N ATOM 1435 CA ARG A 94 -1.344 -20.353 -1.103 1.00 3.11 C ATOM 1436 C ARG A 94 -2.788 -20.613 -0.684 1.00 42.32 C ATOM 1437 O ARG A 94 -3.161 -20.384 0.467 1.00 53.13 O ATOM 1438 CB ARG A 94 -0.471 -21.554 -0.735 1.00 62.23 C ATOM 1439 CG ARG A 94 1.019 -21.253 -0.755 1.00 70.42 C ATOM 1440 CD ARG A 94 1.844 -22.529 -0.823 1.00 30.02 C ATOM 1441 NE ARG A 94 2.713 -22.681 0.341 1.00 35.53 N ATOM 1442 CZ ARG A 94 2.289 -23.119 1.522 1.00 10.51 C ATOM 1443 NH1 ARG A 94 1.015 -23.445 1.694 1.00 65.01 N ATOM 1444 NH2 ARG A 94 3.140 -23.230 2.534 1.00 62.22 N ATOM 0 H ARG A 94 -0.438 -19.284 0.458 1.00 71.33 H new ATOM 0 HA ARG A 94 -1.317 -20.210 -2.183 1.00 3.11 H new ATOM 0 HB2 ARG A 94 -0.749 -21.903 0.259 1.00 62.23 H new ATOM 0 HB3 ARG A 94 -0.678 -22.369 -1.429 1.00 62.23 H new ATOM 0 HG2 ARG A 94 1.252 -20.621 -1.612 1.00 70.42 H new ATOM 0 HG3 ARG A 94 1.290 -20.690 0.138 1.00 70.42 H new ATOM 0 HD2 ARG A 94 1.177 -23.389 -0.892 1.00 30.02 H new ATOM 0 HD3 ARG A 94 2.450 -22.521 -1.729 1.00 30.02 H new ATOM 0 HE ARG A 94 3.699 -22.438 0.242 1.00 35.53 H new ATOM 0 HH11 ARG A 94 0.358 -23.360 0.919 1.00 65.01 H new ATOM 0 HH12 ARG A 94 0.693 -23.781 2.602 1.00 65.01 H new ATOM 0 HH21 ARG A 94 4.120 -22.979 2.406 1.00 62.22 H new ATOM 0 HH22 ARG A 94 2.814 -23.566 3.440 1.00 62.22 H new ATOM 1458 N ILE A 95 -3.594 -21.091 -1.626 1.00 13.04 N ATOM 1459 CA ILE A 95 -4.996 -21.382 -1.354 1.00 35.12 C ATOM 1460 C ILE A 95 -5.517 -22.483 -2.272 1.00 14.41 C ATOM 1461 O ILE A 95 -5.076 -22.613 -3.414 1.00 33.30 O ATOM 1462 CB ILE A 95 -5.875 -20.129 -1.524 1.00 0.40 C ATOM 1463 CG1 ILE A 95 -5.555 -19.431 -2.848 1.00 11.24 C ATOM 1464 CG2 ILE A 95 -5.672 -19.177 -0.355 1.00 0.24 C ATOM 1465 CD1 ILE A 95 -6.388 -18.192 -3.094 1.00 63.23 C ATOM 0 H ILE A 95 -3.300 -21.285 -2.583 1.00 13.04 H new ATOM 0 HA ILE A 95 -5.053 -21.718 -0.319 1.00 35.12 H new ATOM 0 HB ILE A 95 -6.921 -20.436 -1.540 1.00 0.40 H new ATOM 0 HG12 ILE A 95 -4.500 -19.158 -2.860 1.00 11.24 H new ATOM 0 HG13 ILE A 95 -5.712 -20.133 -3.667 1.00 11.24 H new ATOM 0 HG21 ILE A 95 -6.300 -18.296 -0.490 1.00 0.24 H new ATOM 0 HG22 ILE A 95 -5.944 -19.678 0.574 1.00 0.24 H new ATOM 0 HG23 ILE A 95 -4.626 -18.873 -0.310 1.00 0.24 H new ATOM 0 HD11 ILE A 95 -6.108 -17.749 -4.050 1.00 63.23 H new ATOM 0 HD12 ILE A 95 -7.444 -18.462 -3.115 1.00 63.23 H new ATOM 0 HD13 ILE A 95 -6.213 -17.471 -2.295 1.00 63.23 H new ATOM 1477 N TYR A 96 -6.459 -23.271 -1.766 1.00 13.21 N ATOM 1478 CA TYR A 96 -7.041 -24.361 -2.540 1.00 63.01 C ATOM 1479 C TYR A 96 -8.406 -23.967 -3.096 1.00 44.12 C ATOM 1480 O TYR A 96 -9.350 -23.729 -2.343 1.00 20.14 O ATOM 1481 CB TYR A 96 -7.173 -25.615 -1.674 1.00 71.13 C ATOM 1482 CG TYR A 96 -5.845 -26.211 -1.264 1.00 53.23 C ATOM 1483 CD1 TYR A 96 -5.027 -25.567 -0.345 1.00 22.14 C ATOM 1484 CD2 TYR A 96 -5.410 -27.418 -1.796 1.00 63.42 C ATOM 1485 CE1 TYR A 96 -3.813 -26.107 0.032 1.00 24.51 C ATOM 1486 CE2 TYR A 96 -4.198 -27.967 -1.424 1.00 64.02 C ATOM 1487 CZ TYR A 96 -3.402 -27.308 -0.510 1.00 55.42 C ATOM 1488 OH TYR A 96 -2.194 -27.850 -0.136 1.00 53.14 O ATOM 0 H TYR A 96 -6.836 -23.175 -0.823 1.00 13.21 H new ATOM 0 HA TYR A 96 -6.376 -24.574 -3.377 1.00 63.01 H new ATOM 0 HB2 TYR A 96 -7.743 -25.369 -0.778 1.00 71.13 H new ATOM 0 HB3 TYR A 96 -7.745 -26.365 -2.220 1.00 71.13 H new ATOM 0 HD1 TYR A 96 -5.346 -24.628 0.082 1.00 22.14 H new ATOM 0 HD2 TYR A 96 -6.030 -27.936 -2.513 1.00 63.42 H new ATOM 0 HE1 TYR A 96 -3.189 -25.592 0.747 1.00 24.51 H new ATOM 0 HE2 TYR A 96 -3.875 -28.907 -1.846 1.00 64.02 H new ATOM 0 HH TYR A 96 -2.055 -28.697 -0.608 1.00 53.14 H new ATOM 1498 N ILE A 97 -8.501 -23.901 -4.420 1.00 0.42 N ATOM 1499 CA ILE A 97 -9.750 -23.537 -5.078 1.00 22.41 C ATOM 1500 C ILE A 97 -10.607 -24.769 -5.348 1.00 34.01 C ATOM 1501 O ILE A 97 -10.132 -25.762 -5.898 1.00 63.33 O ATOM 1502 CB ILE A 97 -9.493 -22.803 -6.407 1.00 62.32 C ATOM 1503 CG1 ILE A 97 -8.413 -21.734 -6.224 1.00 74.43 C ATOM 1504 CG2 ILE A 97 -10.780 -22.180 -6.926 1.00 33.33 C ATOM 1505 CD1 ILE A 97 -8.738 -20.726 -5.144 1.00 72.25 C ATOM 0 H ILE A 97 -7.729 -24.095 -5.058 1.00 0.42 H new ATOM 0 HA ILE A 97 -10.281 -22.869 -4.400 1.00 22.41 H new ATOM 0 HB ILE A 97 -9.141 -23.527 -7.142 1.00 62.32 H new ATOM 0 HG12 ILE A 97 -7.468 -22.221 -5.983 1.00 74.43 H new ATOM 0 HG13 ILE A 97 -8.269 -21.209 -7.168 1.00 74.43 H new ATOM 0 HG21 ILE A 97 -10.582 -21.665 -7.866 1.00 33.33 H new ATOM 0 HG22 ILE A 97 -11.522 -22.961 -7.090 1.00 33.33 H new ATOM 0 HG23 ILE A 97 -11.160 -21.467 -6.194 1.00 33.33 H new ATOM 0 HD11 ILE A 97 -7.929 -19.999 -5.070 1.00 72.25 H new ATOM 0 HD12 ILE A 97 -9.666 -20.212 -5.393 1.00 72.25 H new ATOM 0 HD13 ILE A 97 -8.853 -21.240 -4.190 1.00 72.25 H new ATOM 1517 N LYS A 98 -11.876 -24.697 -4.958 1.00 43.02 N ATOM 1518 CA LYS A 98 -12.803 -25.804 -5.160 1.00 63.12 C ATOM 1519 C LYS A 98 -14.161 -25.297 -5.634 1.00 41.13 C ATOM 1520 O LYS A 98 -14.761 -24.426 -5.006 1.00 53.32 O ATOM 1521 CB LYS A 98 -12.968 -26.601 -3.864 1.00 50.21 C ATOM 1522 CG LYS A 98 -12.040 -27.799 -3.764 1.00 4.32 C ATOM 1523 CD LYS A 98 -12.578 -28.842 -2.800 1.00 31.44 C ATOM 1524 CE LYS A 98 -12.069 -30.234 -3.143 1.00 51.12 C ATOM 1525 NZ LYS A 98 -13.074 -31.286 -2.826 1.00 20.12 N ATOM 0 H LYS A 98 -12.286 -23.883 -4.500 1.00 43.02 H new ATOM 0 HA LYS A 98 -12.389 -26.456 -5.930 1.00 63.12 H new ATOM 0 HB2 LYS A 98 -12.788 -25.941 -3.016 1.00 50.21 H new ATOM 0 HB3 LYS A 98 -14.000 -26.944 -3.787 1.00 50.21 H new ATOM 0 HG2 LYS A 98 -11.913 -28.245 -4.750 1.00 4.32 H new ATOM 0 HG3 LYS A 98 -11.055 -27.471 -3.433 1.00 4.32 H new ATOM 0 HD2 LYS A 98 -12.282 -28.586 -1.783 1.00 31.44 H new ATOM 0 HD3 LYS A 98 -13.668 -28.835 -2.826 1.00 31.44 H new ATOM 0 HE2 LYS A 98 -11.819 -30.278 -4.203 1.00 51.12 H new ATOM 0 HE3 LYS A 98 -11.150 -30.431 -2.590 1.00 51.12 H new ATOM 0 HZ1 LYS A 98 -12.670 -32.223 -3.026 1.00 20.12 H new ATOM 0 HZ2 LYS A 98 -13.332 -31.228 -1.820 1.00 20.12 H new ATOM 0 HZ3 LYS A 98 -13.923 -31.143 -3.410 1.00 20.12 H new ATOM 1539 N GLU A 99 -14.639 -25.849 -6.745 1.00 31.31 N ATOM 1540 CA GLU A 99 -15.927 -25.452 -7.301 1.00 71.04 C ATOM 1541 C GLU A 99 -17.073 -26.138 -6.564 1.00 14.03 C ATOM 1542 O GLU A 99 -17.066 -27.355 -6.375 1.00 1.41 O ATOM 1543 CB GLU A 99 -15.990 -25.791 -8.792 1.00 71.12 C ATOM 1544 CG GLU A 99 -15.634 -27.235 -9.103 1.00 72.15 C ATOM 1545 CD GLU A 99 -16.760 -27.977 -9.797 1.00 33.01 C ATOM 1546 OE1 GLU A 99 -17.033 -27.671 -10.977 1.00 20.52 O ATOM 1547 OE2 GLU A 99 -17.369 -28.862 -9.160 1.00 62.24 O ATOM 0 H GLU A 99 -14.154 -26.572 -7.277 1.00 31.31 H new ATOM 0 HA GLU A 99 -16.031 -24.374 -7.176 1.00 71.04 H new ATOM 0 HB2 GLU A 99 -16.995 -25.586 -9.161 1.00 71.12 H new ATOM 0 HB3 GLU A 99 -15.311 -25.133 -9.335 1.00 71.12 H new ATOM 0 HG2 GLU A 99 -14.745 -27.258 -9.734 1.00 72.15 H new ATOM 0 HG3 GLU A 99 -15.381 -27.751 -8.177 1.00 72.15 H new ATOM 1554 N LYS A 100 -18.058 -25.349 -6.148 1.00 40.50 N ATOM 1555 CA LYS A 100 -19.212 -25.877 -5.431 1.00 75.24 C ATOM 1556 C LYS A 100 -19.976 -26.878 -6.293 1.00 11.10 C ATOM 1557 O LYS A 100 -21.207 -26.863 -6.336 1.00 45.33 O ATOM 1558 CB LYS A 100 -20.142 -24.737 -5.009 1.00 75.54 C ATOM 1559 CG LYS A 100 -19.588 -23.887 -3.880 1.00 12.04 C ATOM 1560 CD LYS A 100 -20.692 -23.135 -3.155 1.00 2.13 C ATOM 1561 CE LYS A 100 -21.406 -22.163 -4.082 1.00 23.03 C ATOM 1562 NZ LYS A 100 -22.148 -21.118 -3.324 1.00 40.32 N ATOM 0 H LYS A 100 -18.080 -24.340 -6.296 1.00 40.50 H new ATOM 0 HA LYS A 100 -18.851 -26.391 -4.540 1.00 75.24 H new ATOM 0 HB2 LYS A 100 -20.336 -24.099 -5.871 1.00 75.54 H new ATOM 0 HB3 LYS A 100 -21.100 -25.156 -4.701 1.00 75.54 H new ATOM 0 HG2 LYS A 100 -19.054 -24.522 -3.173 1.00 12.04 H new ATOM 0 HG3 LYS A 100 -18.864 -23.177 -4.280 1.00 12.04 H new ATOM 0 HD2 LYS A 100 -21.411 -23.846 -2.748 1.00 2.13 H new ATOM 0 HD3 LYS A 100 -20.269 -22.590 -2.311 1.00 2.13 H new ATOM 0 HE2 LYS A 100 -20.678 -21.687 -4.739 1.00 23.03 H new ATOM 0 HE3 LYS A 100 -22.100 -22.712 -4.719 1.00 23.03 H new ATOM 0 HZ1 LYS A 100 -22.621 -20.475 -3.991 1.00 40.32 H new ATOM 0 HZ2 LYS A 100 -22.860 -21.570 -2.715 1.00 40.32 H new ATOM 0 HZ3 LYS A 100 -21.482 -20.578 -2.735 1.00 40.32 H new TER 1576 LYS A 100