USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 744 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 82 SER OG : rot -158:sc= 1.13 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -6.47! C(o=-5.3!,f=-11!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -128:sc= 0.0149 (180deg=0) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0.0186 USER MOD Set 3.1: A 10 HIS :FLIP no HE2:sc= -2.69! C(o=-4.5!,f=-2!) USER MOD Set 3.2: A 40 SER OG : rot -171:sc= 0.577 USER MOD Set 3.3: A 45 SER OG : rot 124:sc= 0.0812 USER MOD Set 4.1: A 7 LYS NZ :NH3+ -124:sc= 0.618 (180deg=-0.249) USER MOD Set 4.2: A 51 ASN : amide:sc= -0.061 K(o=0.56,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0611 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc=-0.00744 X(o=-0.0074,f=-0.0074) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -132:sc= -2.9! USER MOD Single : A 9 SER OG : rot 151:sc= 1.22 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -116:sc= -1.01 (180deg=-4.97!) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 0.443 (180deg=0.405) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.17) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -151:sc= -0.232 (180deg=-0.935) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 77 SER OG : rot 120:sc= -0.0905 USER MOD Single : A 90 LYS NZ :NH3+ -137:sc= -1.2 (180deg=-1.88!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.490 -2.027 -1.450 1.00 61.23 N ATOM 2 CA GLY A 1 1.436 -1.582 -2.457 1.00 1.13 C ATOM 3 C GLY A 1 1.491 -0.071 -2.571 1.00 43.14 C ATOM 4 O GLY A 1 0.663 0.646 -2.011 1.00 24.22 O ATOM 0 H1 GLY A 1 0.995 -2.549 -0.706 1.00 61.23 H new ATOM 0 H2 GLY A 1 0.014 -1.202 -1.032 1.00 61.23 H new ATOM 0 H3 GLY A 1 -0.218 -2.649 -1.890 1.00 61.23 H new ATOM 0 HA2 GLY A 1 2.428 -1.962 -2.212 1.00 1.13 H new ATOM 0 HA3 GLY A 1 1.161 -2.007 -3.423 1.00 1.13 H new ATOM 8 N PRO A 2 2.490 0.433 -3.313 1.00 15.15 N ATOM 9 CA PRO A 2 2.675 1.873 -3.515 1.00 55.30 C ATOM 10 C PRO A 2 1.585 2.481 -4.392 1.00 61.53 C ATOM 11 O PRO A 2 1.286 1.967 -5.470 1.00 40.03 O ATOM 12 CB PRO A 2 4.034 1.961 -4.212 1.00 40.13 C ATOM 13 CG PRO A 2 4.198 0.645 -4.891 1.00 13.05 C ATOM 14 CD PRO A 2 3.513 -0.362 -4.009 1.00 20.31 C ATOM 0 HA PRO A 2 2.625 2.426 -2.577 1.00 55.30 H new ATOM 0 HB2 PRO A 2 4.059 2.782 -4.929 1.00 40.13 H new ATOM 0 HB3 PRO A 2 4.836 2.139 -3.495 1.00 40.13 H new ATOM 0 HG2 PRO A 2 3.752 0.660 -5.886 1.00 13.05 H new ATOM 0 HG3 PRO A 2 5.252 0.400 -5.018 1.00 13.05 H new ATOM 0 HD2 PRO A 2 3.067 -1.169 -4.591 1.00 20.31 H new ATOM 0 HD3 PRO A 2 4.210 -0.822 -3.308 1.00 20.31 H new ATOM 22 N SER A 3 0.995 3.575 -3.924 1.00 4.05 N ATOM 23 CA SER A 3 -0.064 4.250 -4.664 1.00 61.30 C ATOM 24 C SER A 3 0.379 5.644 -5.098 1.00 22.41 C ATOM 25 O SER A 3 0.937 6.403 -4.307 1.00 52.22 O ATOM 26 CB SER A 3 -1.330 4.347 -3.811 1.00 0.12 C ATOM 27 OG SER A 3 -1.810 3.061 -3.460 1.00 61.42 O ATOM 0 H SER A 3 1.233 4.014 -3.034 1.00 4.05 H new ATOM 0 HA SER A 3 -0.280 3.663 -5.556 1.00 61.30 H new ATOM 0 HB2 SER A 3 -1.120 4.919 -2.907 1.00 0.12 H new ATOM 0 HB3 SER A 3 -2.101 4.889 -4.359 1.00 0.12 H new ATOM 0 HG SER A 3 -2.619 3.151 -2.914 1.00 61.42 H new ATOM 33 N ASN A 4 0.127 5.972 -6.360 1.00 73.23 N ATOM 34 CA ASN A 4 0.500 7.274 -6.901 1.00 72.14 C ATOM 35 C ASN A 4 -0.722 8.178 -7.035 1.00 3.04 C ATOM 36 O ASN A 4 -0.608 9.403 -7.000 1.00 2.45 O ATOM 37 CB ASN A 4 1.177 7.109 -8.263 1.00 2.23 C ATOM 38 CG ASN A 4 1.585 8.437 -8.871 1.00 73.44 C ATOM 39 OD1 ASN A 4 1.098 8.821 -9.936 1.00 22.43 O ATOM 40 ND2 ASN A 4 2.482 9.147 -8.196 1.00 72.32 N ATOM 0 H ASN A 4 -0.334 5.354 -7.028 1.00 73.23 H new ATOM 0 HA ASN A 4 1.201 7.740 -6.208 1.00 72.14 H new ATOM 0 HB2 ASN A 4 2.058 6.477 -8.153 1.00 2.23 H new ATOM 0 HB3 ASN A 4 0.498 6.594 -8.943 1.00 2.23 H new ATOM 0 HD21 ASN A 4 2.794 10.049 -8.556 1.00 72.32 H new ATOM 0 HD22 ASN A 4 2.859 8.790 -7.318 1.00 72.32 H new ATOM 47 N LYS A 5 -1.891 7.566 -7.187 1.00 62.41 N ATOM 48 CA LYS A 5 -3.136 8.313 -7.324 1.00 45.10 C ATOM 49 C LYS A 5 -4.143 7.891 -6.259 1.00 70.54 C ATOM 50 O LYS A 5 -4.028 6.813 -5.674 1.00 45.40 O ATOM 51 CB LYS A 5 -3.731 8.101 -8.718 1.00 2.31 C ATOM 52 CG LYS A 5 -3.295 6.803 -9.374 1.00 45.24 C ATOM 53 CD LYS A 5 -3.900 6.648 -10.760 1.00 33.11 C ATOM 54 CE LYS A 5 -3.130 7.449 -11.798 1.00 62.50 C ATOM 55 NZ LYS A 5 -2.063 6.635 -12.445 1.00 43.44 N ATOM 0 H LYS A 5 -2.003 6.553 -7.219 1.00 62.41 H new ATOM 0 HA LYS A 5 -2.913 9.371 -7.189 1.00 45.10 H new ATOM 0 HB2 LYS A 5 -4.819 8.114 -8.646 1.00 2.31 H new ATOM 0 HB3 LYS A 5 -3.444 8.936 -9.357 1.00 2.31 H new ATOM 0 HG2 LYS A 5 -2.208 6.778 -9.446 1.00 45.24 H new ATOM 0 HG3 LYS A 5 -3.593 5.961 -8.750 1.00 45.24 H new ATOM 0 HD2 LYS A 5 -3.903 5.595 -11.041 1.00 33.11 H new ATOM 0 HD3 LYS A 5 -4.939 6.976 -10.743 1.00 33.11 H new ATOM 0 HE2 LYS A 5 -3.819 7.816 -12.559 1.00 62.50 H new ATOM 0 HE3 LYS A 5 -2.683 8.323 -11.324 1.00 62.50 H new ATOM 0 HZ1 LYS A 5 -1.560 7.216 -13.146 1.00 43.44 H new ATOM 0 HZ2 LYS A 5 -1.391 6.306 -11.723 1.00 43.44 H new ATOM 0 HZ3 LYS A 5 -2.492 5.814 -12.918 1.00 43.44 H new ATOM 69 N ILE A 6 -5.132 8.745 -6.015 1.00 44.04 N ATOM 70 CA ILE A 6 -6.161 8.458 -5.024 1.00 5.11 C ATOM 71 C ILE A 6 -7.485 9.113 -5.401 1.00 61.52 C ATOM 72 O ILE A 6 -7.512 10.173 -6.026 1.00 45.44 O ATOM 73 CB ILE A 6 -5.742 8.944 -3.623 1.00 31.14 C ATOM 74 CG1 ILE A 6 -5.446 10.445 -3.646 1.00 61.40 C ATOM 75 CG2 ILE A 6 -4.530 8.166 -3.132 1.00 40.23 C ATOM 76 CD1 ILE A 6 -5.799 11.151 -2.356 1.00 74.32 C ATOM 0 H ILE A 6 -5.242 9.641 -6.490 1.00 44.04 H new ATOM 0 HA ILE A 6 -6.287 7.376 -5.003 1.00 5.11 H new ATOM 0 HB ILE A 6 -6.566 8.767 -2.932 1.00 31.14 H new ATOM 0 HG12 ILE A 6 -4.387 10.595 -3.854 1.00 61.40 H new ATOM 0 HG13 ILE A 6 -6.000 10.904 -4.465 1.00 61.40 H new ATOM 0 HG21 ILE A 6 -4.247 8.521 -2.141 1.00 40.23 H new ATOM 0 HG22 ILE A 6 -4.775 7.105 -3.081 1.00 40.23 H new ATOM 0 HG23 ILE A 6 -3.699 8.314 -3.822 1.00 40.23 H new ATOM 0 HD11 ILE A 6 -5.562 12.211 -2.445 1.00 74.32 H new ATOM 0 HD12 ILE A 6 -6.864 11.032 -2.156 1.00 74.32 H new ATOM 0 HD13 ILE A 6 -5.225 10.719 -1.536 1.00 74.32 H new ATOM 88 N LYS A 7 -8.585 8.474 -5.016 1.00 61.22 N ATOM 89 CA LYS A 7 -9.914 8.993 -5.311 1.00 33.20 C ATOM 90 C LYS A 7 -10.216 10.227 -4.467 1.00 61.41 C ATOM 91 O LYS A 7 -9.778 10.328 -3.320 1.00 2.10 O ATOM 92 CB LYS A 7 -10.973 7.918 -5.058 1.00 25.42 C ATOM 93 CG LYS A 7 -11.748 7.521 -6.302 1.00 51.21 C ATOM 94 CD LYS A 7 -13.177 7.125 -5.966 1.00 63.32 C ATOM 95 CE LYS A 7 -14.166 8.203 -6.380 1.00 54.13 C ATOM 96 NZ LYS A 7 -15.577 7.760 -6.202 1.00 62.41 N ATOM 0 H LYS A 7 -8.581 7.595 -4.499 1.00 61.22 H new ATOM 0 HA LYS A 7 -9.939 9.278 -6.363 1.00 33.20 H new ATOM 0 HB2 LYS A 7 -10.489 7.033 -4.645 1.00 25.42 H new ATOM 0 HB3 LYS A 7 -11.673 8.280 -4.305 1.00 25.42 H new ATOM 0 HG2 LYS A 7 -11.756 8.352 -7.007 1.00 51.21 H new ATOM 0 HG3 LYS A 7 -11.245 6.689 -6.795 1.00 51.21 H new ATOM 0 HD2 LYS A 7 -13.424 6.190 -6.469 1.00 63.32 H new ATOM 0 HD3 LYS A 7 -13.263 6.943 -4.895 1.00 63.32 H new ATOM 0 HE2 LYS A 7 -13.991 9.103 -5.790 1.00 54.13 H new ATOM 0 HE3 LYS A 7 -13.998 8.469 -7.424 1.00 54.13 H new ATOM 0 HZ1 LYS A 7 -16.085 7.847 -7.105 1.00 62.41 H new ATOM 0 HZ2 LYS A 7 -15.593 6.768 -5.890 1.00 62.41 H new ATOM 0 HZ3 LYS A 7 -16.040 8.355 -5.486 1.00 62.41 H new ATOM 110 N CYS A 8 -10.967 11.161 -5.040 1.00 10.31 N ATOM 111 CA CYS A 8 -11.328 12.388 -4.339 1.00 32.04 C ATOM 112 C CYS A 8 -12.247 13.253 -5.195 1.00 12.51 C ATOM 113 O CYS A 8 -12.269 13.131 -6.419 1.00 62.42 O ATOM 114 CB CYS A 8 -10.072 13.175 -3.964 1.00 25.43 C ATOM 115 SG CYS A 8 -9.000 13.567 -5.366 1.00 44.42 S ATOM 0 H CYS A 8 -11.338 11.092 -5.988 1.00 10.31 H new ATOM 0 HA CYS A 8 -11.861 12.113 -3.429 1.00 32.04 H new ATOM 0 HB2 CYS A 8 -10.370 14.104 -3.478 1.00 25.43 H new ATOM 0 HB3 CYS A 8 -9.502 12.601 -3.234 1.00 25.43 H new ATOM 0 HG CYS A 8 -7.770 13.272 -5.067 1.00 44.42 H new ATOM 121 N SER A 9 -13.007 14.128 -4.541 1.00 63.45 N ATOM 122 CA SER A 9 -13.932 15.010 -5.243 1.00 21.23 C ATOM 123 C SER A 9 -13.558 16.473 -5.025 1.00 63.03 C ATOM 124 O SER A 9 -12.490 16.780 -4.495 1.00 10.40 O ATOM 125 CB SER A 9 -15.364 14.762 -4.768 1.00 34.21 C ATOM 126 OG SER A 9 -15.473 14.928 -3.364 1.00 41.22 O ATOM 0 H SER A 9 -13.000 14.244 -3.528 1.00 63.45 H new ATOM 0 HA SER A 9 -13.867 14.791 -6.309 1.00 21.23 H new ATOM 0 HB2 SER A 9 -16.042 15.451 -5.272 1.00 34.21 H new ATOM 0 HB3 SER A 9 -15.672 13.753 -5.043 1.00 34.21 H new ATOM 0 HG SER A 9 -16.382 15.217 -3.138 1.00 41.22 H new ATOM 132 N HIS A 10 -14.445 17.372 -5.438 1.00 71.12 N ATOM 133 CA HIS A 10 -14.210 18.803 -5.289 1.00 14.50 C ATOM 134 C HIS A 10 -15.482 19.595 -5.574 1.00 51.33 C ATOM 135 O HIS A 10 -16.293 19.205 -6.415 1.00 61.15 O ATOM 136 CB HIS A 10 -13.091 19.258 -6.226 1.00 50.22 C ATOM 137 CG HIS A 10 -13.392 19.029 -7.675 1.00 30.42 C ATOM 138 ND1 HIS A 10 -13.550 17.881 -8.375 1.00 50.53 N flip ATOM 139 CD2 HIS A 10 -13.565 20.054 -8.579 1.00 50.14 C flip ATOM 140 CE1 HIS A 10 -13.813 18.231 -9.677 1.00 31.04 C flip ATOM 141 NE2 HIS A 10 -13.817 19.548 -9.774 1.00 32.24 N flip ATOM 0 H HIS A 10 -15.334 17.134 -5.879 1.00 71.12 H new ATOM 0 HA HIS A 10 -13.909 18.991 -4.258 1.00 14.50 H new ATOM 0 HB2 HIS A 10 -12.904 20.320 -6.066 1.00 50.22 H new ATOM 0 HB3 HIS A 10 -12.174 18.730 -5.966 1.00 50.22 H new ATOM 0 HD1 HIS A 10 -13.486 16.933 -8.005 1.00 50.53 H new ATOM 0 HD2 HIS A 10 -13.504 21.107 -8.347 1.00 50.14 H new ATOM 0 HE1 HIS A 10 -13.988 17.541 -10.489 1.00 31.04 H new ATOM 149 N ILE A 11 -15.652 20.709 -4.869 1.00 25.44 N ATOM 150 CA ILE A 11 -16.825 21.555 -5.047 1.00 5.40 C ATOM 151 C ILE A 11 -16.470 23.028 -4.875 1.00 52.42 C ATOM 152 O ILE A 11 -15.938 23.434 -3.841 1.00 53.41 O ATOM 153 CB ILE A 11 -17.941 21.187 -4.053 1.00 10.34 C ATOM 154 CG1 ILE A 11 -18.481 19.788 -4.353 1.00 61.04 C ATOM 155 CG2 ILE A 11 -19.060 22.217 -4.108 1.00 31.41 C ATOM 156 CD1 ILE A 11 -19.465 19.286 -3.320 1.00 72.45 C ATOM 0 H ILE A 11 -14.991 21.046 -4.169 1.00 25.44 H new ATOM 0 HA ILE A 11 -17.185 21.386 -6.062 1.00 5.40 H new ATOM 0 HB ILE A 11 -17.524 21.186 -3.046 1.00 10.34 H new ATOM 0 HG12 ILE A 11 -18.964 19.796 -5.330 1.00 61.04 H new ATOM 0 HG13 ILE A 11 -17.646 19.091 -4.416 1.00 61.04 H new ATOM 0 HG21 ILE A 11 -19.842 21.943 -3.400 1.00 31.41 H new ATOM 0 HG22 ILE A 11 -18.664 23.199 -3.849 1.00 31.41 H new ATOM 0 HG23 ILE A 11 -19.477 22.248 -5.115 1.00 31.41 H new ATOM 0 HD11 ILE A 11 -19.806 18.289 -3.597 1.00 72.45 H new ATOM 0 HD12 ILE A 11 -18.980 19.246 -2.345 1.00 72.45 H new ATOM 0 HD13 ILE A 11 -20.319 19.962 -3.273 1.00 72.45 H new ATOM 168 N LEU A 12 -16.770 23.827 -5.894 1.00 21.11 N ATOM 169 CA LEU A 12 -16.486 25.257 -5.856 1.00 23.24 C ATOM 170 C LEU A 12 -17.747 26.054 -5.540 1.00 50.32 C ATOM 171 O LEU A 12 -18.811 25.803 -6.107 1.00 52.12 O ATOM 172 CB LEU A 12 -15.899 25.716 -7.192 1.00 3.13 C ATOM 173 CG LEU A 12 -14.376 25.646 -7.315 1.00 41.41 C ATOM 174 CD1 LEU A 12 -13.714 26.505 -6.249 1.00 3.13 C ATOM 175 CD2 LEU A 12 -13.899 24.205 -7.213 1.00 70.11 C ATOM 0 H LEU A 12 -17.210 23.508 -6.757 1.00 21.11 H new ATOM 0 HA LEU A 12 -15.757 25.437 -5.066 1.00 23.24 H new ATOM 0 HB2 LEU A 12 -16.336 25.110 -7.986 1.00 3.13 H new ATOM 0 HB3 LEU A 12 -16.211 26.745 -7.369 1.00 3.13 H new ATOM 0 HG LEU A 12 -14.091 26.034 -8.293 1.00 41.41 H new ATOM 0 HD11 LEU A 12 -12.631 26.443 -6.352 1.00 3.13 H new ATOM 0 HD12 LEU A 12 -14.031 27.541 -6.368 1.00 3.13 H new ATOM 0 HD13 LEU A 12 -14.005 26.148 -5.261 1.00 3.13 H new ATOM 0 HD21 LEU A 12 -12.813 24.174 -7.303 1.00 70.11 H new ATOM 0 HD22 LEU A 12 -14.196 23.791 -6.249 1.00 70.11 H new ATOM 0 HD23 LEU A 12 -14.346 23.616 -8.014 1.00 70.11 H new ATOM 187 N VAL A 13 -17.620 27.019 -4.634 1.00 32.11 N ATOM 188 CA VAL A 13 -18.749 27.856 -4.246 1.00 51.53 C ATOM 189 C VAL A 13 -18.355 29.328 -4.213 1.00 13.12 C ATOM 190 O VAL A 13 -17.236 29.690 -4.572 1.00 65.24 O ATOM 191 CB VAL A 13 -19.299 27.452 -2.865 1.00 65.03 C ATOM 192 CG1 VAL A 13 -19.757 26.002 -2.876 1.00 12.14 C ATOM 193 CG2 VAL A 13 -18.250 27.680 -1.787 1.00 33.44 C ATOM 0 H VAL A 13 -16.747 27.240 -4.155 1.00 32.11 H new ATOM 0 HA VAL A 13 -19.526 27.707 -4.996 1.00 51.53 H new ATOM 0 HB VAL A 13 -20.162 28.079 -2.639 1.00 65.03 H new ATOM 0 HG11 VAL A 13 -20.142 25.735 -1.892 1.00 12.14 H new ATOM 0 HG12 VAL A 13 -20.543 25.874 -3.620 1.00 12.14 H new ATOM 0 HG13 VAL A 13 -18.914 25.356 -3.123 1.00 12.14 H new ATOM 0 HG21 VAL A 13 -18.655 27.389 -0.818 1.00 33.44 H new ATOM 0 HG22 VAL A 13 -17.367 27.080 -2.006 1.00 33.44 H new ATOM 0 HG23 VAL A 13 -17.975 28.735 -1.764 1.00 33.44 H new ATOM 203 N SER A 14 -19.285 30.174 -3.779 1.00 3.22 N ATOM 204 CA SER A 14 -19.035 31.609 -3.702 1.00 73.03 C ATOM 205 C SER A 14 -18.971 32.073 -2.250 1.00 34.42 C ATOM 206 O SER A 14 -18.410 33.125 -1.946 1.00 2.24 O ATOM 207 CB SER A 14 -20.129 32.378 -4.446 1.00 54.13 C ATOM 208 OG SER A 14 -19.845 32.455 -5.833 1.00 64.11 O ATOM 0 H SER A 14 -20.217 29.891 -3.476 1.00 3.22 H new ATOM 0 HA SER A 14 -18.073 31.811 -4.172 1.00 73.03 H new ATOM 0 HB2 SER A 14 -21.090 31.887 -4.295 1.00 54.13 H new ATOM 0 HB3 SER A 14 -20.217 33.383 -4.033 1.00 54.13 H new ATOM 0 HG SER A 14 -20.559 32.949 -6.286 1.00 64.11 H new ATOM 214 N LYS A 15 -19.550 31.277 -1.356 1.00 2.12 N ATOM 215 CA LYS A 15 -19.558 31.603 0.065 1.00 74.41 C ATOM 216 C LYS A 15 -19.073 30.419 0.897 1.00 14.14 C ATOM 217 O LYS A 15 -19.344 29.265 0.566 1.00 1.31 O ATOM 218 CB LYS A 15 -20.966 32.008 0.509 1.00 63.05 C ATOM 219 CG LYS A 15 -22.055 31.077 0.003 1.00 2.51 C ATOM 220 CD LYS A 15 -23.345 31.252 0.786 1.00 51.25 C ATOM 221 CE LYS A 15 -23.890 32.666 0.655 1.00 50.43 C ATOM 222 NZ LYS A 15 -25.369 32.708 0.817 1.00 11.43 N ATOM 0 H LYS A 15 -20.019 30.402 -1.591 1.00 2.12 H new ATOM 0 HA LYS A 15 -18.878 32.440 0.224 1.00 74.41 H new ATOM 0 HB2 LYS A 15 -21.001 32.036 1.598 1.00 63.05 H new ATOM 0 HB3 LYS A 15 -21.172 33.019 0.158 1.00 63.05 H new ATOM 0 HG2 LYS A 15 -22.240 31.272 -1.053 1.00 2.51 H new ATOM 0 HG3 LYS A 15 -21.717 30.044 0.082 1.00 2.51 H new ATOM 0 HD2 LYS A 15 -24.088 30.540 0.428 1.00 51.25 H new ATOM 0 HD3 LYS A 15 -23.167 31.026 1.837 1.00 51.25 H new ATOM 0 HE2 LYS A 15 -23.424 33.305 1.405 1.00 50.43 H new ATOM 0 HE3 LYS A 15 -23.620 33.070 -0.321 1.00 50.43 H new ATOM 0 HZ1 LYS A 15 -25.701 33.689 0.721 1.00 11.43 H new ATOM 0 HZ2 LYS A 15 -25.815 32.118 0.086 1.00 11.43 H new ATOM 0 HZ3 LYS A 15 -25.626 32.346 1.758 1.00 11.43 H new ATOM 236 N GLN A 16 -18.358 30.715 1.977 1.00 13.33 N ATOM 237 CA GLN A 16 -17.837 29.675 2.856 1.00 22.03 C ATOM 238 C GLN A 16 -18.972 28.873 3.484 1.00 53.51 C ATOM 239 O GLN A 16 -18.833 27.678 3.742 1.00 21.40 O ATOM 240 CB GLN A 16 -16.966 30.292 3.952 1.00 21.40 C ATOM 241 CG GLN A 16 -17.625 31.461 4.665 1.00 0.54 C ATOM 242 CD GLN A 16 -17.210 31.566 6.120 1.00 22.42 C ATOM 243 OE1 GLN A 16 -17.756 30.879 6.985 1.00 55.24 O ATOM 244 NE2 GLN A 16 -16.238 32.427 6.398 1.00 12.53 N ATOM 0 H GLN A 16 -18.126 31.666 2.264 1.00 13.33 H new ATOM 0 HA GLN A 16 -17.228 28.999 2.255 1.00 22.03 H new ATOM 0 HB2 GLN A 16 -16.719 29.523 4.684 1.00 21.40 H new ATOM 0 HB3 GLN A 16 -16.027 30.628 3.512 1.00 21.40 H new ATOM 0 HG2 GLN A 16 -17.369 32.387 4.150 1.00 0.54 H new ATOM 0 HG3 GLN A 16 -18.708 31.353 4.607 1.00 0.54 H new ATOM 0 HE21 GLN A 16 -15.814 32.976 5.650 1.00 12.53 H new ATOM 0 HE22 GLN A 16 -15.916 32.539 7.359 1.00 12.53 H new ATOM 253 N SER A 17 -20.097 29.539 3.727 1.00 44.42 N ATOM 254 CA SER A 17 -21.256 28.890 4.327 1.00 23.34 C ATOM 255 C SER A 17 -21.726 27.717 3.473 1.00 51.53 C ATOM 256 O SER A 17 -22.349 26.781 3.973 1.00 41.54 O ATOM 257 CB SER A 17 -22.395 29.895 4.506 1.00 2.23 C ATOM 258 OG SER A 17 -22.298 30.560 5.754 1.00 20.13 O ATOM 0 H SER A 17 -20.230 30.528 3.517 1.00 44.42 H new ATOM 0 HA SER A 17 -20.961 28.509 5.305 1.00 23.34 H new ATOM 0 HB2 SER A 17 -22.369 30.626 3.698 1.00 2.23 H new ATOM 0 HB3 SER A 17 -23.353 29.379 4.439 1.00 2.23 H new ATOM 0 HG SER A 17 -23.037 31.198 5.843 1.00 20.13 H new ATOM 264 N GLU A 18 -21.424 27.778 2.179 1.00 32.12 N ATOM 265 CA GLU A 18 -21.816 26.722 1.254 1.00 71.05 C ATOM 266 C GLU A 18 -20.735 25.649 1.162 1.00 54.45 C ATOM 267 O GLU A 18 -21.023 24.454 1.229 1.00 55.55 O ATOM 268 CB GLU A 18 -22.091 27.305 -0.133 1.00 51.25 C ATOM 269 CG GLU A 18 -23.399 28.073 -0.224 1.00 24.22 C ATOM 270 CD GLU A 18 -24.601 27.162 -0.378 1.00 3.30 C ATOM 271 OE1 GLU A 18 -24.778 26.264 0.471 1.00 64.42 O ATOM 272 OE2 GLU A 18 -25.365 27.348 -1.348 1.00 74.02 O ATOM 0 H GLU A 18 -20.910 28.547 1.749 1.00 32.12 H new ATOM 0 HA GLU A 18 -22.728 26.262 1.634 1.00 71.05 H new ATOM 0 HB2 GLU A 18 -21.271 27.968 -0.408 1.00 51.25 H new ATOM 0 HB3 GLU A 18 -22.104 26.495 -0.862 1.00 51.25 H new ATOM 0 HG2 GLU A 18 -23.522 28.682 0.672 1.00 24.22 H new ATOM 0 HG3 GLU A 18 -23.356 28.758 -1.071 1.00 24.22 H new ATOM 279 N ALA A 19 -19.489 26.085 1.008 1.00 15.22 N ATOM 280 CA ALA A 19 -18.364 25.163 0.908 1.00 2.50 C ATOM 281 C ALA A 19 -18.215 24.339 2.183 1.00 3.20 C ATOM 282 O ALA A 19 -18.074 23.117 2.131 1.00 31.32 O ATOM 283 CB ALA A 19 -17.081 25.927 0.617 1.00 10.20 C ATOM 0 H ALA A 19 -19.233 27.071 0.950 1.00 15.22 H new ATOM 0 HA ALA A 19 -18.560 24.476 0.084 1.00 2.50 H new ATOM 0 HB1 ALA A 19 -16.249 25.227 0.545 1.00 10.20 H new ATOM 0 HB2 ALA A 19 -17.184 26.466 -0.325 1.00 10.20 H new ATOM 0 HB3 ALA A 19 -16.889 26.636 1.422 1.00 10.20 H new ATOM 289 N LEU A 20 -18.245 25.016 3.325 1.00 11.13 N ATOM 290 CA LEU A 20 -18.112 24.346 4.615 1.00 33.02 C ATOM 291 C LEU A 20 -19.352 23.516 4.928 1.00 53.14 C ATOM 292 O LEU A 20 -19.321 22.635 5.786 1.00 34.14 O ATOM 293 CB LEU A 20 -17.880 25.374 5.724 1.00 24.11 C ATOM 294 CG LEU A 20 -17.092 24.883 6.939 1.00 51.32 C ATOM 295 CD1 LEU A 20 -16.345 26.036 7.592 1.00 60.13 C ATOM 296 CD2 LEU A 20 -18.020 24.213 7.941 1.00 32.40 C ATOM 0 H LEU A 20 -18.360 26.028 3.385 1.00 11.13 H new ATOM 0 HA LEU A 20 -17.253 23.677 4.562 1.00 33.02 H new ATOM 0 HB2 LEU A 20 -17.355 26.228 5.296 1.00 24.11 H new ATOM 0 HB3 LEU A 20 -18.850 25.735 6.066 1.00 24.11 H new ATOM 0 HG LEU A 20 -16.362 24.148 6.601 1.00 51.32 H new ATOM 0 HD11 LEU A 20 -15.790 25.668 8.455 1.00 60.13 H new ATOM 0 HD12 LEU A 20 -15.651 26.473 6.874 1.00 60.13 H new ATOM 0 HD13 LEU A 20 -17.058 26.794 7.916 1.00 60.13 H new ATOM 0 HD21 LEU A 20 -17.442 23.870 8.799 1.00 32.40 H new ATOM 0 HD22 LEU A 20 -18.773 24.927 8.273 1.00 32.40 H new ATOM 0 HD23 LEU A 20 -18.510 23.361 7.470 1.00 32.40 H new ATOM 308 N ALA A 21 -20.442 23.800 4.222 1.00 15.51 N ATOM 309 CA ALA A 21 -21.692 23.078 4.422 1.00 61.41 C ATOM 310 C ALA A 21 -21.583 21.643 3.914 1.00 40.21 C ATOM 311 O ALA A 21 -22.457 20.815 4.173 1.00 41.33 O ATOM 312 CB ALA A 21 -22.837 23.800 3.727 1.00 63.22 C ATOM 0 H ALA A 21 -20.484 24.525 3.506 1.00 15.51 H new ATOM 0 HA ALA A 21 -21.896 23.044 5.492 1.00 61.41 H new ATOM 0 HB1 ALA A 21 -23.764 23.249 3.885 1.00 63.22 H new ATOM 0 HB2 ALA A 21 -22.937 24.804 4.139 1.00 63.22 H new ATOM 0 HB3 ALA A 21 -22.631 23.865 2.659 1.00 63.22 H new ATOM 318 N ILE A 22 -20.506 21.358 3.189 1.00 75.42 N ATOM 319 CA ILE A 22 -20.285 20.023 2.646 1.00 41.14 C ATOM 320 C ILE A 22 -19.921 19.034 3.748 1.00 42.12 C ATOM 321 O ILE A 22 -20.165 17.835 3.625 1.00 60.35 O ATOM 322 CB ILE A 22 -19.168 20.027 1.584 1.00 33.42 C ATOM 323 CG1 ILE A 22 -19.530 20.970 0.436 1.00 73.45 C ATOM 324 CG2 ILE A 22 -18.928 18.617 1.064 1.00 31.02 C ATOM 325 CD1 ILE A 22 -20.833 20.619 -0.248 1.00 1.22 C ATOM 0 H ILE A 22 -19.774 22.032 2.964 1.00 75.42 H new ATOM 0 HA ILE A 22 -21.220 19.713 2.179 1.00 41.14 H new ATOM 0 HB ILE A 22 -18.248 20.385 2.046 1.00 33.42 H new ATOM 0 HG12 ILE A 22 -19.593 21.988 0.820 1.00 73.45 H new ATOM 0 HG13 ILE A 22 -18.727 20.957 -0.301 1.00 73.45 H new ATOM 0 HG21 ILE A 22 -18.137 18.635 0.315 1.00 31.02 H new ATOM 0 HG22 ILE A 22 -18.631 17.970 1.890 1.00 31.02 H new ATOM 0 HG23 ILE A 22 -19.844 18.234 0.615 1.00 31.02 H new ATOM 0 HD11 ILE A 22 -21.025 21.330 -1.051 1.00 1.22 H new ATOM 0 HD12 ILE A 22 -20.767 19.613 -0.662 1.00 1.22 H new ATOM 0 HD13 ILE A 22 -21.647 20.661 0.476 1.00 1.22 H new ATOM 337 N MET A 23 -19.336 19.547 4.826 1.00 75.34 N ATOM 338 CA MET A 23 -18.941 18.709 5.951 1.00 32.42 C ATOM 339 C MET A 23 -20.033 18.678 7.016 1.00 21.22 C ATOM 340 O MET A 23 -20.035 17.811 7.889 1.00 75.41 O ATOM 341 CB MET A 23 -17.634 19.219 6.560 1.00 20.02 C ATOM 342 CG MET A 23 -17.790 20.517 7.336 1.00 15.52 C ATOM 343 SD MET A 23 -17.507 20.308 9.105 1.00 64.22 S ATOM 344 CE MET A 23 -16.306 21.602 9.410 1.00 32.22 C ATOM 0 H MET A 23 -19.126 20.538 4.943 1.00 75.34 H new ATOM 0 HA MET A 23 -18.790 17.695 5.581 1.00 32.42 H new ATOM 0 HB2 MET A 23 -17.230 18.455 7.224 1.00 20.02 H new ATOM 0 HB3 MET A 23 -16.905 19.367 5.763 1.00 20.02 H new ATOM 0 HG2 MET A 23 -17.090 21.256 6.945 1.00 15.52 H new ATOM 0 HG3 MET A 23 -18.793 20.912 7.177 1.00 15.52 H new ATOM 0 HE1 MET A 23 -15.363 21.156 9.727 1.00 32.22 H new ATOM 0 HE2 MET A 23 -16.147 22.174 8.496 1.00 32.22 H new ATOM 0 HE3 MET A 23 -16.676 22.264 10.193 1.00 32.22 H new ATOM 354 N GLU A 24 -20.958 19.628 6.936 1.00 15.42 N ATOM 355 CA GLU A 24 -22.056 19.709 7.894 1.00 44.13 C ATOM 356 C GLU A 24 -23.296 18.997 7.361 1.00 21.14 C ATOM 357 O GLU A 24 -23.934 18.221 8.074 1.00 11.50 O ATOM 358 CB GLU A 24 -22.385 21.171 8.203 1.00 73.14 C ATOM 359 CG GLU A 24 -21.170 22.082 8.207 1.00 61.22 C ATOM 360 CD GLU A 24 -21.242 23.146 9.285 1.00 34.40 C ATOM 361 OE1 GLU A 24 -20.880 22.843 10.441 1.00 11.51 O ATOM 362 OE2 GLU A 24 -21.660 24.281 8.973 1.00 60.31 O ATOM 0 H GLU A 24 -20.970 20.353 6.218 1.00 15.42 H new ATOM 0 HA GLU A 24 -21.741 19.214 8.813 1.00 44.13 H new ATOM 0 HB2 GLU A 24 -23.100 21.537 7.466 1.00 73.14 H new ATOM 0 HB3 GLU A 24 -22.873 21.227 9.176 1.00 73.14 H new ATOM 0 HG2 GLU A 24 -20.272 21.482 8.353 1.00 61.22 H new ATOM 0 HG3 GLU A 24 -21.078 22.563 7.233 1.00 61.22 H new ATOM 369 N LYS A 25 -23.633 19.267 6.106 1.00 44.25 N ATOM 370 CA LYS A 25 -24.796 18.653 5.476 1.00 63.14 C ATOM 371 C LYS A 25 -24.668 17.133 5.462 1.00 3.52 C ATOM 372 O LYS A 25 -25.532 16.423 5.979 1.00 42.52 O ATOM 373 CB LYS A 25 -24.961 19.174 4.046 1.00 34.10 C ATOM 374 CG LYS A 25 -26.373 19.024 3.504 1.00 4.40 C ATOM 375 CD LYS A 25 -26.742 20.177 2.586 1.00 15.41 C ATOM 376 CE LYS A 25 -28.250 20.367 2.508 1.00 21.30 C ATOM 377 NZ LYS A 25 -28.888 19.363 1.613 1.00 53.33 N ATOM 0 H LYS A 25 -23.117 19.908 5.503 1.00 44.25 H new ATOM 0 HA LYS A 25 -25.678 18.921 6.059 1.00 63.14 H new ATOM 0 HB2 LYS A 25 -24.679 20.227 4.017 1.00 34.10 H new ATOM 0 HB3 LYS A 25 -24.271 18.641 3.392 1.00 34.10 H new ATOM 0 HG2 LYS A 25 -26.457 18.083 2.960 1.00 4.40 H new ATOM 0 HG3 LYS A 25 -27.079 18.977 4.333 1.00 4.40 H new ATOM 0 HD2 LYS A 25 -26.277 21.094 2.947 1.00 15.41 H new ATOM 0 HD3 LYS A 25 -26.346 19.990 1.588 1.00 15.41 H new ATOM 0 HE2 LYS A 25 -28.679 20.288 3.507 1.00 21.30 H new ATOM 0 HE3 LYS A 25 -28.472 21.371 2.145 1.00 21.30 H new ATOM 0 HZ1 LYS A 25 -29.922 19.414 1.715 1.00 53.33 H new ATOM 0 HZ2 LYS A 25 -28.628 19.563 0.626 1.00 53.33 H new ATOM 0 HZ3 LYS A 25 -28.561 18.410 1.871 1.00 53.33 H new ATOM 391 N LEU A 26 -23.586 16.640 4.870 1.00 24.12 N ATOM 392 CA LEU A 26 -23.345 15.204 4.792 1.00 71.22 C ATOM 393 C LEU A 26 -23.262 14.588 6.185 1.00 72.02 C ATOM 394 O LEU A 26 -23.493 13.391 6.362 1.00 40.35 O ATOM 395 CB LEU A 26 -22.053 14.924 4.021 1.00 41.32 C ATOM 396 CG LEU A 26 -21.935 15.587 2.648 1.00 61.21 C ATOM 397 CD1 LEU A 26 -20.620 15.205 1.983 1.00 13.31 C ATOM 398 CD2 LEU A 26 -23.112 15.199 1.765 1.00 31.11 C ATOM 0 H LEU A 26 -22.862 17.213 4.437 1.00 24.12 H new ATOM 0 HA LEU A 26 -24.183 14.749 4.263 1.00 71.22 H new ATOM 0 HB2 LEU A 26 -21.211 15.248 4.633 1.00 41.32 H new ATOM 0 HB3 LEU A 26 -21.957 13.846 3.891 1.00 41.32 H new ATOM 0 HG LEU A 26 -21.950 16.668 2.785 1.00 61.21 H new ATOM 0 HD11 LEU A 26 -20.553 15.686 1.007 1.00 13.31 H new ATOM 0 HD12 LEU A 26 -19.788 15.532 2.607 1.00 13.31 H new ATOM 0 HD13 LEU A 26 -20.576 14.123 1.858 1.00 13.31 H new ATOM 0 HD21 LEU A 26 -23.011 15.680 0.792 1.00 31.11 H new ATOM 0 HD22 LEU A 26 -23.128 14.117 1.635 1.00 31.11 H new ATOM 0 HD23 LEU A 26 -24.041 15.522 2.235 1.00 31.11 H new ATOM 410 N LYS A 27 -22.934 15.414 7.172 1.00 75.42 N ATOM 411 CA LYS A 27 -22.825 14.952 8.551 1.00 1.31 C ATOM 412 C LYS A 27 -24.122 14.294 9.009 1.00 62.11 C ATOM 413 O LYS A 27 -24.117 13.449 9.904 1.00 34.32 O ATOM 414 CB LYS A 27 -22.480 16.122 9.476 1.00 51.15 C ATOM 415 CG LYS A 27 -21.759 15.703 10.745 1.00 44.23 C ATOM 416 CD LYS A 27 -20.279 15.466 10.492 1.00 23.00 C ATOM 417 CE LYS A 27 -19.507 15.321 11.796 1.00 51.35 C ATOM 418 NZ LYS A 27 -18.112 14.856 11.565 1.00 63.05 N ATOM 0 H LYS A 27 -22.739 16.407 7.043 1.00 75.42 H new ATOM 0 HA LYS A 27 -22.027 14.211 8.598 1.00 1.31 H new ATOM 0 HB2 LYS A 27 -21.857 16.832 8.932 1.00 51.15 H new ATOM 0 HB3 LYS A 27 -23.398 16.644 9.745 1.00 51.15 H new ATOM 0 HG2 LYS A 27 -21.880 16.475 11.505 1.00 44.23 H new ATOM 0 HG3 LYS A 27 -22.212 14.793 11.139 1.00 44.23 H new ATOM 0 HD2 LYS A 27 -20.151 14.566 9.890 1.00 23.00 H new ATOM 0 HD3 LYS A 27 -19.870 16.296 9.916 1.00 23.00 H new ATOM 0 HE2 LYS A 27 -19.489 16.279 12.316 1.00 51.35 H new ATOM 0 HE3 LYS A 27 -20.022 14.615 12.447 1.00 51.35 H new ATOM 0 HZ1 LYS A 27 -17.619 14.770 12.477 1.00 63.05 H new ATOM 0 HZ2 LYS A 27 -18.129 13.930 11.091 1.00 63.05 H new ATOM 0 HZ3 LYS A 27 -17.612 15.543 10.965 1.00 63.05 H new ATOM 432 N SER A 28 -25.231 14.684 8.389 1.00 44.25 N ATOM 433 CA SER A 28 -26.535 14.133 8.734 1.00 13.20 C ATOM 434 C SER A 28 -26.759 12.792 8.042 1.00 12.34 C ATOM 435 O SER A 28 -27.524 11.956 8.518 1.00 33.23 O ATOM 436 CB SER A 28 -27.645 15.112 8.347 1.00 60.32 C ATOM 437 OG SER A 28 -27.844 16.085 9.357 1.00 3.22 O ATOM 0 H SER A 28 -25.252 15.381 7.644 1.00 44.25 H new ATOM 0 HA SER A 28 -26.561 13.974 9.812 1.00 13.20 H new ATOM 0 HB2 SER A 28 -27.389 15.605 7.409 1.00 60.32 H new ATOM 0 HB3 SER A 28 -28.573 14.566 8.177 1.00 60.32 H new ATOM 0 HG SER A 28 -28.557 16.699 9.084 1.00 3.22 H new ATOM 443 N GLY A 29 -26.084 12.596 6.914 1.00 62.31 N ATOM 444 CA GLY A 29 -26.221 11.355 6.173 1.00 34.21 C ATOM 445 C GLY A 29 -26.672 11.581 4.743 1.00 12.13 C ATOM 446 O GLY A 29 -27.625 10.955 4.280 1.00 22.33 O ATOM 0 H GLY A 29 -25.445 13.274 6.500 1.00 62.31 H new ATOM 0 HA2 GLY A 29 -25.266 10.829 6.171 1.00 34.21 H new ATOM 0 HA3 GLY A 29 -26.939 10.710 6.680 1.00 34.21 H new ATOM 450 N GLU A 30 -25.986 12.479 4.043 1.00 21.31 N ATOM 451 CA GLU A 30 -26.324 12.786 2.659 1.00 40.43 C ATOM 452 C GLU A 30 -25.216 12.327 1.714 1.00 75.04 C ATOM 453 O GLU A 30 -24.315 11.588 2.108 1.00 52.44 O ATOM 454 CB GLU A 30 -26.563 14.288 2.490 1.00 1.12 C ATOM 455 CG GLU A 30 -27.336 14.914 3.639 1.00 42.51 C ATOM 456 CD GLU A 30 -28.034 16.200 3.241 1.00 62.35 C ATOM 457 OE1 GLU A 30 -28.248 16.406 2.028 1.00 41.35 O ATOM 458 OE2 GLU A 30 -28.365 17.000 4.140 1.00 24.24 O ATOM 0 H GLU A 30 -25.194 13.006 4.411 1.00 21.31 H new ATOM 0 HA GLU A 30 -27.239 12.249 2.408 1.00 40.43 H new ATOM 0 HB2 GLU A 30 -25.601 14.792 2.393 1.00 1.12 H new ATOM 0 HB3 GLU A 30 -27.107 14.459 1.561 1.00 1.12 H new ATOM 0 HG2 GLU A 30 -28.076 14.202 4.005 1.00 42.51 H new ATOM 0 HG3 GLU A 30 -26.653 15.116 4.464 1.00 42.51 H new ATOM 465 N LYS A 31 -25.293 12.771 0.463 1.00 20.13 N ATOM 466 CA LYS A 31 -24.299 12.407 -0.539 1.00 44.14 C ATOM 467 C LYS A 31 -23.511 13.632 -0.993 1.00 63.22 C ATOM 468 O LYS A 31 -24.074 14.711 -1.179 1.00 73.05 O ATOM 469 CB LYS A 31 -24.975 11.748 -1.743 1.00 35.01 C ATOM 470 CG LYS A 31 -24.082 10.767 -2.482 1.00 22.23 C ATOM 471 CD LYS A 31 -23.841 9.508 -1.664 1.00 34.30 C ATOM 472 CE LYS A 31 -22.560 8.806 -2.086 1.00 0.52 C ATOM 473 NZ LYS A 31 -22.744 8.019 -3.337 1.00 34.00 N ATOM 0 H LYS A 31 -26.033 13.383 0.120 1.00 20.13 H new ATOM 0 HA LYS A 31 -23.606 11.698 -0.086 1.00 44.14 H new ATOM 0 HB2 LYS A 31 -25.871 11.227 -1.406 1.00 35.01 H new ATOM 0 HB3 LYS A 31 -25.299 12.524 -2.436 1.00 35.01 H new ATOM 0 HG2 LYS A 31 -24.541 10.501 -3.434 1.00 22.23 H new ATOM 0 HG3 LYS A 31 -23.128 11.242 -2.710 1.00 22.23 H new ATOM 0 HD2 LYS A 31 -23.785 9.765 -0.606 1.00 34.30 H new ATOM 0 HD3 LYS A 31 -24.685 8.829 -1.782 1.00 34.30 H new ATOM 0 HE2 LYS A 31 -21.773 9.545 -2.235 1.00 0.52 H new ATOM 0 HE3 LYS A 31 -22.228 8.144 -1.286 1.00 0.52 H new ATOM 0 HZ1 LYS A 31 -21.848 7.556 -3.591 1.00 34.00 H new ATOM 0 HZ2 LYS A 31 -23.477 7.296 -3.188 1.00 34.00 H new ATOM 0 HZ3 LYS A 31 -23.036 8.654 -4.107 1.00 34.00 H new ATOM 487 N PHE A 32 -22.205 13.458 -1.170 1.00 40.24 N ATOM 488 CA PHE A 32 -21.340 14.549 -1.603 1.00 53.54 C ATOM 489 C PHE A 32 -21.757 15.061 -2.979 1.00 54.51 C ATOM 490 O PHE A 32 -21.808 16.267 -3.216 1.00 1.21 O ATOM 491 CB PHE A 32 -19.882 14.089 -1.639 1.00 23.41 C ATOM 492 CG PHE A 32 -18.918 15.176 -2.021 1.00 13.41 C ATOM 493 CD1 PHE A 32 -18.743 15.529 -3.349 1.00 54.14 C ATOM 494 CD2 PHE A 32 -18.189 15.847 -1.052 1.00 73.02 C ATOM 495 CE1 PHE A 32 -17.857 16.529 -3.704 1.00 33.41 C ATOM 496 CE2 PHE A 32 -17.303 16.848 -1.401 1.00 20.23 C ATOM 497 CZ PHE A 32 -17.137 17.190 -2.728 1.00 51.24 C ATOM 0 H PHE A 32 -21.723 12.572 -1.020 1.00 40.24 H new ATOM 0 HA PHE A 32 -21.439 15.364 -0.886 1.00 53.54 H new ATOM 0 HB2 PHE A 32 -19.608 13.700 -0.658 1.00 23.41 H new ATOM 0 HB3 PHE A 32 -19.787 13.265 -2.347 1.00 23.41 H new ATOM 0 HD1 PHE A 32 -19.305 15.017 -4.116 1.00 54.14 H new ATOM 0 HD2 PHE A 32 -18.315 15.584 -0.012 1.00 73.02 H new ATOM 0 HE1 PHE A 32 -17.728 16.793 -4.743 1.00 33.41 H new ATOM 0 HE2 PHE A 32 -16.741 17.363 -0.636 1.00 20.23 H new ATOM 0 HZ PHE A 32 -16.446 17.973 -3.003 1.00 51.24 H new ATOM 507 N GLY A 33 -22.055 14.134 -3.884 1.00 63.13 N ATOM 508 CA GLY A 33 -22.463 14.509 -5.225 1.00 12.21 C ATOM 509 C GLY A 33 -23.728 15.344 -5.234 1.00 34.33 C ATOM 510 O GLY A 33 -23.888 16.236 -6.067 1.00 25.12 O ATOM 0 H GLY A 33 -22.021 13.129 -3.712 1.00 63.13 H new ATOM 0 HA2 GLY A 33 -21.659 15.068 -5.703 1.00 12.21 H new ATOM 0 HA3 GLY A 33 -22.622 13.609 -5.818 1.00 12.21 H new ATOM 514 N LYS A 34 -24.633 15.052 -4.305 1.00 70.11 N ATOM 515 CA LYS A 34 -25.892 15.781 -4.208 1.00 54.21 C ATOM 516 C LYS A 34 -25.644 17.276 -4.038 1.00 13.54 C ATOM 517 O LYS A 34 -26.496 18.100 -4.374 1.00 65.12 O ATOM 518 CB LYS A 34 -26.722 15.254 -3.034 1.00 43.14 C ATOM 519 CG LYS A 34 -27.323 13.881 -3.283 1.00 44.51 C ATOM 520 CD LYS A 34 -28.609 13.973 -4.088 1.00 21.33 C ATOM 521 CE LYS A 34 -29.066 12.603 -4.565 1.00 4.20 C ATOM 522 NZ LYS A 34 -30.471 12.627 -5.057 1.00 2.31 N ATOM 0 H LYS A 34 -24.518 14.316 -3.609 1.00 70.11 H new ATOM 0 HA LYS A 34 -26.445 15.625 -5.135 1.00 54.21 H new ATOM 0 HB2 LYS A 34 -26.092 15.210 -2.145 1.00 43.14 H new ATOM 0 HB3 LYS A 34 -27.525 15.960 -2.821 1.00 43.14 H new ATOM 0 HG2 LYS A 34 -26.603 13.259 -3.815 1.00 44.51 H new ATOM 0 HG3 LYS A 34 -27.524 13.392 -2.330 1.00 44.51 H new ATOM 0 HD2 LYS A 34 -29.390 14.426 -3.478 1.00 21.33 H new ATOM 0 HD3 LYS A 34 -28.456 14.626 -4.947 1.00 21.33 H new ATOM 0 HE2 LYS A 34 -28.408 12.258 -5.362 1.00 4.20 H new ATOM 0 HE3 LYS A 34 -28.980 11.887 -3.748 1.00 4.20 H new ATOM 0 HZ1 LYS A 34 -30.745 11.675 -5.373 1.00 2.31 H new ATOM 0 HZ2 LYS A 34 -31.103 12.932 -4.289 1.00 2.31 H new ATOM 0 HZ3 LYS A 34 -30.549 13.291 -5.853 1.00 2.31 H new ATOM 536 N LEU A 35 -24.472 17.620 -3.515 1.00 2.31 N ATOM 537 CA LEU A 35 -24.110 19.017 -3.302 1.00 12.52 C ATOM 538 C LEU A 35 -23.158 19.505 -4.388 1.00 10.51 C ATOM 539 O LEU A 35 -23.085 20.701 -4.672 1.00 1.43 O ATOM 540 CB LEU A 35 -23.465 19.193 -1.925 1.00 53.33 C ATOM 541 CG LEU A 35 -24.068 18.365 -0.791 1.00 75.31 C ATOM 542 CD1 LEU A 35 -23.380 18.683 0.527 1.00 12.52 C ATOM 543 CD2 LEU A 35 -25.567 18.614 -0.686 1.00 43.52 C ATOM 0 H LEU A 35 -23.757 16.951 -3.231 1.00 2.31 H new ATOM 0 HA LEU A 35 -25.021 19.614 -3.349 1.00 12.52 H new ATOM 0 HB2 LEU A 35 -22.407 18.944 -2.007 1.00 53.33 H new ATOM 0 HB3 LEU A 35 -23.524 20.246 -1.650 1.00 53.33 H new ATOM 0 HG LEU A 35 -23.910 17.310 -1.015 1.00 75.31 H new ATOM 0 HD11 LEU A 35 -23.823 18.084 1.323 1.00 12.52 H new ATOM 0 HD12 LEU A 35 -22.318 18.453 0.448 1.00 12.52 H new ATOM 0 HD13 LEU A 35 -23.506 19.741 0.757 1.00 12.52 H new ATOM 0 HD21 LEU A 35 -25.979 18.016 0.127 1.00 43.52 H new ATOM 0 HD22 LEU A 35 -25.747 19.670 -0.487 1.00 43.52 H new ATOM 0 HD23 LEU A 35 -26.049 18.334 -1.623 1.00 43.52 H new ATOM 555 N ALA A 36 -22.432 18.572 -4.994 1.00 54.55 N ATOM 556 CA ALA A 36 -21.488 18.907 -6.054 1.00 2.22 C ATOM 557 C ALA A 36 -22.214 19.212 -7.360 1.00 63.44 C ATOM 558 O ALA A 36 -21.670 19.873 -8.245 1.00 2.53 O ATOM 559 CB ALA A 36 -20.494 17.773 -6.251 1.00 45.25 C ATOM 0 H ALA A 36 -22.479 17.578 -4.770 1.00 54.55 H new ATOM 0 HA ALA A 36 -20.945 19.803 -5.754 1.00 2.22 H new ATOM 0 HB1 ALA A 36 -19.795 18.036 -7.045 1.00 45.25 H new ATOM 0 HB2 ALA A 36 -19.945 17.606 -5.325 1.00 45.25 H new ATOM 0 HB3 ALA A 36 -21.029 16.864 -6.525 1.00 45.25 H new ATOM 565 N LYS A 37 -23.444 18.724 -7.476 1.00 70.21 N ATOM 566 CA LYS A 37 -24.245 18.944 -8.674 1.00 24.01 C ATOM 567 C LYS A 37 -25.019 20.254 -8.578 1.00 72.04 C ATOM 568 O LYS A 37 -25.843 20.563 -9.438 1.00 65.44 O ATOM 569 CB LYS A 37 -25.216 17.780 -8.884 1.00 34.30 C ATOM 570 CG LYS A 37 -26.229 17.623 -7.763 1.00 14.44 C ATOM 571 CD LYS A 37 -26.870 16.246 -7.778 1.00 74.41 C ATOM 572 CE LYS A 37 -27.719 16.041 -9.024 1.00 63.42 C ATOM 573 NZ LYS A 37 -28.195 14.634 -9.145 1.00 25.14 N ATOM 0 H LYS A 37 -23.908 18.173 -6.754 1.00 70.21 H new ATOM 0 HA LYS A 37 -23.569 19.004 -9.527 1.00 24.01 H new ATOM 0 HB2 LYS A 37 -25.747 17.926 -9.825 1.00 34.30 H new ATOM 0 HB3 LYS A 37 -24.647 16.856 -8.980 1.00 34.30 H new ATOM 0 HG2 LYS A 37 -25.739 17.786 -6.803 1.00 14.44 H new ATOM 0 HG3 LYS A 37 -27.002 18.386 -7.860 1.00 14.44 H new ATOM 0 HD2 LYS A 37 -26.094 15.482 -7.735 1.00 74.41 H new ATOM 0 HD3 LYS A 37 -27.489 16.122 -6.890 1.00 74.41 H new ATOM 0 HE2 LYS A 37 -28.576 16.713 -8.994 1.00 63.42 H new ATOM 0 HE3 LYS A 37 -27.138 16.305 -9.907 1.00 63.42 H new ATOM 0 HZ1 LYS A 37 -28.770 14.535 -10.006 1.00 25.14 H new ATOM 0 HZ2 LYS A 37 -27.377 13.994 -9.199 1.00 25.14 H new ATOM 0 HZ3 LYS A 37 -28.771 14.390 -8.314 1.00 25.14 H new ATOM 587 N GLU A 38 -24.746 21.022 -7.528 1.00 32.24 N ATOM 588 CA GLU A 38 -25.418 22.300 -7.321 1.00 23.21 C ATOM 589 C GLU A 38 -24.430 23.364 -6.851 1.00 22.32 C ATOM 590 O GLU A 38 -24.209 24.366 -7.531 1.00 43.24 O ATOM 591 CB GLU A 38 -26.547 22.149 -6.299 1.00 53.24 C ATOM 592 CG GLU A 38 -27.585 21.110 -6.688 1.00 64.42 C ATOM 593 CD GLU A 38 -28.610 21.647 -7.669 1.00 25.23 C ATOM 594 OE1 GLU A 38 -28.790 22.881 -7.722 1.00 30.10 O ATOM 595 OE2 GLU A 38 -29.229 20.832 -8.383 1.00 33.20 O ATOM 0 H GLU A 38 -24.065 20.782 -6.808 1.00 32.24 H new ATOM 0 HA GLU A 38 -25.841 22.617 -8.274 1.00 23.21 H new ATOM 0 HB2 GLU A 38 -26.118 21.879 -5.334 1.00 53.24 H new ATOM 0 HB3 GLU A 38 -27.040 23.112 -6.170 1.00 53.24 H new ATOM 0 HG2 GLU A 38 -27.083 20.248 -7.128 1.00 64.42 H new ATOM 0 HG3 GLU A 38 -28.095 20.758 -5.791 1.00 64.42 H new ATOM 602 N LEU A 39 -23.840 23.139 -5.682 1.00 62.45 N ATOM 603 CA LEU A 39 -22.875 24.076 -5.118 1.00 51.43 C ATOM 604 C LEU A 39 -21.726 24.324 -6.089 1.00 45.41 C ATOM 605 O LEU A 39 -21.371 25.470 -6.369 1.00 71.45 O ATOM 606 CB LEU A 39 -22.332 23.544 -3.791 1.00 45.32 C ATOM 607 CG LEU A 39 -23.349 23.397 -2.660 1.00 54.34 C ATOM 608 CD1 LEU A 39 -22.657 22.996 -1.367 1.00 44.54 C ATOM 609 CD2 LEU A 39 -24.128 24.691 -2.471 1.00 4.54 C ATOM 0 H LEU A 39 -24.013 22.315 -5.106 1.00 62.45 H new ATOM 0 HA LEU A 39 -23.386 25.022 -4.940 1.00 51.43 H new ATOM 0 HB2 LEU A 39 -21.877 22.570 -3.972 1.00 45.32 H new ATOM 0 HB3 LEU A 39 -21.537 24.210 -3.454 1.00 45.32 H new ATOM 0 HG LEU A 39 -24.052 22.609 -2.931 1.00 54.34 H new ATOM 0 HD11 LEU A 39 -23.398 22.896 -0.574 1.00 44.54 H new ATOM 0 HD12 LEU A 39 -22.146 22.044 -1.508 1.00 44.54 H new ATOM 0 HD13 LEU A 39 -21.930 23.760 -1.091 1.00 44.54 H new ATOM 0 HD21 LEU A 39 -24.848 24.568 -1.662 1.00 4.54 H new ATOM 0 HD22 LEU A 39 -23.438 25.498 -2.224 1.00 4.54 H new ATOM 0 HD23 LEU A 39 -24.657 24.935 -3.392 1.00 4.54 H new ATOM 621 N SER A 40 -21.147 23.243 -6.603 1.00 33.32 N ATOM 622 CA SER A 40 -20.036 23.342 -7.541 1.00 50.22 C ATOM 623 C SER A 40 -20.376 24.291 -8.687 1.00 62.04 C ATOM 624 O SER A 40 -21.140 23.943 -9.588 1.00 42.32 O ATOM 625 CB SER A 40 -19.683 21.961 -8.095 1.00 32.40 C ATOM 626 OG SER A 40 -18.332 21.910 -8.520 1.00 13.31 O ATOM 0 H SER A 40 -21.430 22.288 -6.385 1.00 33.32 H new ATOM 0 HA SER A 40 -19.175 23.741 -7.005 1.00 50.22 H new ATOM 0 HB2 SER A 40 -19.855 21.204 -7.330 1.00 32.40 H new ATOM 0 HB3 SER A 40 -20.340 21.723 -8.932 1.00 32.40 H new ATOM 0 HG SER A 40 -18.169 21.067 -8.992 1.00 13.31 H new ATOM 632 N ILE A 41 -19.803 25.489 -8.644 1.00 54.32 N ATOM 633 CA ILE A 41 -20.045 26.487 -9.678 1.00 44.11 C ATOM 634 C ILE A 41 -19.277 26.155 -10.953 1.00 1.21 C ATOM 635 O ILE A 41 -19.636 26.604 -12.042 1.00 3.23 O ATOM 636 CB ILE A 41 -19.645 27.898 -9.204 1.00 70.24 C ATOM 637 CG1 ILE A 41 -18.196 27.902 -8.712 1.00 72.25 C ATOM 638 CG2 ILE A 41 -20.585 28.373 -8.106 1.00 63.43 C ATOM 639 CD1 ILE A 41 -17.423 29.134 -9.126 1.00 65.34 C ATOM 0 H ILE A 41 -19.169 25.792 -7.905 1.00 54.32 H new ATOM 0 HA ILE A 41 -21.115 26.472 -9.886 1.00 44.11 H new ATOM 0 HB ILE A 41 -19.725 28.586 -10.046 1.00 70.24 H new ATOM 0 HG12 ILE A 41 -18.189 27.827 -7.625 1.00 72.25 H new ATOM 0 HG13 ILE A 41 -17.688 27.017 -9.096 1.00 72.25 H new ATOM 0 HG21 ILE A 41 -20.290 29.371 -7.781 1.00 63.43 H new ATOM 0 HG22 ILE A 41 -21.605 28.402 -8.488 1.00 63.43 H new ATOM 0 HG23 ILE A 41 -20.534 27.686 -7.261 1.00 63.43 H new ATOM 0 HD11 ILE A 41 -16.404 29.070 -8.743 1.00 65.34 H new ATOM 0 HD12 ILE A 41 -17.399 29.200 -10.214 1.00 65.34 H new ATOM 0 HD13 ILE A 41 -17.908 30.022 -8.720 1.00 65.34 H new ATOM 651 N ASP A 42 -18.218 25.366 -10.810 1.00 74.32 N ATOM 652 CA ASP A 42 -17.400 24.970 -11.951 1.00 25.42 C ATOM 653 C ASP A 42 -18.220 24.167 -12.955 1.00 43.25 C ATOM 654 O ASP A 42 -18.613 23.032 -12.686 1.00 1.42 O ATOM 655 CB ASP A 42 -16.198 24.148 -11.482 1.00 25.02 C ATOM 656 CG ASP A 42 -15.356 23.644 -12.637 1.00 74.43 C ATOM 657 OD1 ASP A 42 -14.786 24.482 -13.366 1.00 43.53 O ATOM 658 OD2 ASP A 42 -15.269 22.410 -12.814 1.00 5.10 O ATOM 0 H ASP A 42 -17.906 24.988 -9.916 1.00 74.32 H new ATOM 0 HA ASP A 42 -17.043 25.875 -12.442 1.00 25.42 H new ATOM 0 HB2 ASP A 42 -15.579 24.758 -10.824 1.00 25.02 H new ATOM 0 HB3 ASP A 42 -16.549 23.300 -10.894 1.00 25.02 H new ATOM 663 N SER A 43 -18.476 24.765 -14.115 1.00 62.24 N ATOM 664 CA SER A 43 -19.253 24.107 -15.159 1.00 51.31 C ATOM 665 C SER A 43 -18.699 22.716 -15.454 1.00 34.10 C ATOM 666 O SER A 43 -19.451 21.785 -15.744 1.00 5.41 O ATOM 667 CB SER A 43 -19.250 24.950 -16.435 1.00 53.42 C ATOM 668 OG SER A 43 -17.946 25.045 -16.981 1.00 24.40 O ATOM 0 H SER A 43 -18.157 25.704 -14.355 1.00 62.24 H new ATOM 0 HA SER A 43 -20.278 24.003 -14.803 1.00 51.31 H new ATOM 0 HB2 SER A 43 -19.923 24.507 -17.169 1.00 53.42 H new ATOM 0 HB3 SER A 43 -19.629 25.948 -16.216 1.00 53.42 H new ATOM 0 HG SER A 43 -17.972 25.587 -17.797 1.00 24.40 H new ATOM 674 N GLY A 44 -17.379 22.583 -15.378 1.00 72.01 N ATOM 675 CA GLY A 44 -16.746 21.304 -15.639 1.00 62.03 C ATOM 676 C GLY A 44 -16.556 20.482 -14.380 1.00 10.11 C ATOM 677 O GLY A 44 -15.479 19.934 -14.145 1.00 2.34 O ATOM 0 H GLY A 44 -16.736 23.339 -15.140 1.00 72.01 H new ATOM 0 HA2 GLY A 44 -17.352 20.741 -16.349 1.00 62.03 H new ATOM 0 HA3 GLY A 44 -15.777 21.471 -16.109 1.00 62.03 H new ATOM 681 N SER A 45 -17.603 20.399 -13.566 1.00 32.24 N ATOM 682 CA SER A 45 -17.545 19.643 -12.320 1.00 71.45 C ATOM 683 C SER A 45 -18.946 19.271 -11.844 1.00 71.02 C ATOM 684 O SER A 45 -19.184 18.151 -11.395 1.00 22.13 O ATOM 685 CB SER A 45 -16.826 20.454 -11.241 1.00 22.03 C ATOM 686 OG SER A 45 -16.958 19.841 -9.970 1.00 10.52 O ATOM 0 H SER A 45 -18.502 20.846 -13.747 1.00 32.24 H new ATOM 0 HA SER A 45 -16.988 18.725 -12.506 1.00 71.45 H new ATOM 0 HB2 SER A 45 -15.770 20.548 -11.495 1.00 22.03 H new ATOM 0 HB3 SER A 45 -17.236 21.463 -11.206 1.00 22.03 H new ATOM 0 HG SER A 45 -16.069 19.672 -9.594 1.00 10.52 H new ATOM 692 N ALA A 46 -19.870 20.221 -11.947 1.00 31.13 N ATOM 693 CA ALA A 46 -21.248 19.994 -11.528 1.00 54.43 C ATOM 694 C ALA A 46 -21.899 18.894 -12.360 1.00 34.23 C ATOM 695 O ALA A 46 -22.936 18.346 -11.981 1.00 5.51 O ATOM 696 CB ALA A 46 -22.051 21.283 -11.634 1.00 23.22 C ATOM 0 H ALA A 46 -19.689 21.154 -12.317 1.00 31.13 H new ATOM 0 HA ALA A 46 -21.237 19.670 -10.487 1.00 54.43 H new ATOM 0 HB1 ALA A 46 -23.078 21.099 -11.318 1.00 23.22 H new ATOM 0 HB2 ALA A 46 -21.605 22.043 -10.993 1.00 23.22 H new ATOM 0 HB3 ALA A 46 -22.046 21.631 -12.667 1.00 23.22 H new ATOM 702 N LYS A 47 -21.287 18.574 -13.494 1.00 65.02 N ATOM 703 CA LYS A 47 -21.806 17.538 -14.379 1.00 50.13 C ATOM 704 C LYS A 47 -21.329 16.157 -13.940 1.00 2.12 C ATOM 705 O LYS A 47 -21.938 15.142 -14.276 1.00 30.12 O ATOM 706 CB LYS A 47 -21.369 17.805 -15.821 1.00 45.15 C ATOM 707 CG LYS A 47 -22.196 17.060 -16.855 1.00 42.15 C ATOM 708 CD LYS A 47 -22.011 17.647 -18.244 1.00 73.45 C ATOM 709 CE LYS A 47 -22.783 18.947 -18.409 1.00 1.24 C ATOM 710 NZ LYS A 47 -22.514 19.590 -19.724 1.00 62.25 N ATOM 0 H LYS A 47 -20.429 19.018 -13.823 1.00 65.02 H new ATOM 0 HA LYS A 47 -22.894 17.561 -14.325 1.00 50.13 H new ATOM 0 HB2 LYS A 47 -21.433 18.875 -16.019 1.00 45.15 H new ATOM 0 HB3 LYS A 47 -20.322 17.522 -15.933 1.00 45.15 H new ATOM 0 HG2 LYS A 47 -21.910 16.008 -16.862 1.00 42.15 H new ATOM 0 HG3 LYS A 47 -23.250 17.102 -16.579 1.00 42.15 H new ATOM 0 HD2 LYS A 47 -20.951 17.827 -18.426 1.00 73.45 H new ATOM 0 HD3 LYS A 47 -22.345 16.927 -18.991 1.00 73.45 H new ATOM 0 HE2 LYS A 47 -23.851 18.750 -18.313 1.00 1.24 H new ATOM 0 HE3 LYS A 47 -22.513 19.634 -17.607 1.00 1.24 H new ATOM 0 HZ1 LYS A 47 -23.059 20.473 -19.797 1.00 62.25 H new ATOM 0 HZ2 LYS A 47 -21.499 19.802 -19.806 1.00 62.25 H new ATOM 0 HZ3 LYS A 47 -22.796 18.945 -20.490 1.00 62.25 H new ATOM 724 N LYS A 48 -20.236 16.126 -13.184 1.00 50.51 N ATOM 725 CA LYS A 48 -19.678 14.871 -12.696 1.00 23.04 C ATOM 726 C LYS A 48 -19.698 14.824 -11.172 1.00 10.13 C ATOM 727 O LYS A 48 -18.893 14.129 -10.552 1.00 32.42 O ATOM 728 CB LYS A 48 -18.245 14.694 -13.203 1.00 52.53 C ATOM 729 CG LYS A 48 -17.415 15.964 -13.136 1.00 64.14 C ATOM 730 CD LYS A 48 -17.472 16.737 -14.443 1.00 13.24 C ATOM 731 CE LYS A 48 -16.405 16.264 -15.418 1.00 5.30 C ATOM 732 NZ LYS A 48 -16.679 16.724 -16.807 1.00 51.44 N ATOM 0 H LYS A 48 -19.719 16.957 -12.896 1.00 50.51 H new ATOM 0 HA LYS A 48 -20.294 14.056 -13.076 1.00 23.04 H new ATOM 0 HB2 LYS A 48 -17.754 13.918 -12.616 1.00 52.53 H new ATOM 0 HB3 LYS A 48 -18.274 14.343 -14.235 1.00 52.53 H new ATOM 0 HG2 LYS A 48 -17.777 16.594 -12.324 1.00 64.14 H new ATOM 0 HG3 LYS A 48 -16.380 15.712 -12.906 1.00 64.14 H new ATOM 0 HD2 LYS A 48 -18.457 16.618 -14.894 1.00 13.24 H new ATOM 0 HD3 LYS A 48 -17.339 17.800 -14.244 1.00 13.24 H new ATOM 0 HE2 LYS A 48 -15.431 16.635 -15.098 1.00 5.30 H new ATOM 0 HE3 LYS A 48 -16.353 15.175 -15.400 1.00 5.30 H new ATOM 0 HZ1 LYS A 48 -15.929 16.381 -17.441 1.00 51.44 H new ATOM 0 HZ2 LYS A 48 -17.597 16.350 -17.122 1.00 51.44 H new ATOM 0 HZ3 LYS A 48 -16.703 17.763 -16.830 1.00 51.44 H new ATOM 746 N ASN A 49 -20.623 15.567 -10.573 1.00 62.01 N ATOM 747 CA ASN A 49 -20.749 15.609 -9.121 1.00 24.43 C ATOM 748 C ASN A 49 -19.403 15.912 -8.467 1.00 74.22 C ATOM 749 O ASN A 49 -19.120 15.451 -7.362 1.00 34.31 O ATOM 750 CB ASN A 49 -21.295 14.279 -8.597 1.00 3.13 C ATOM 751 CG ASN A 49 -22.728 14.032 -9.026 1.00 1.51 C ATOM 752 OD1 ASN A 49 -22.988 13.246 -9.937 1.00 23.20 O ATOM 753 ND2 ASN A 49 -23.666 14.707 -8.371 1.00 3.30 N ATOM 0 H ASN A 49 -21.297 16.149 -11.071 1.00 62.01 H new ATOM 0 HA ASN A 49 -21.446 16.407 -8.864 1.00 24.43 H new ATOM 0 HB2 ASN A 49 -20.666 13.465 -8.956 1.00 3.13 H new ATOM 0 HB3 ASN A 49 -21.238 14.270 -7.509 1.00 3.13 H new ATOM 0 HD21 ASN A 49 -24.648 14.584 -8.617 1.00 3.30 H new ATOM 0 HD22 ASN A 49 -23.404 15.348 -7.622 1.00 3.30 H new ATOM 760 N GLY A 50 -18.577 16.690 -9.159 1.00 73.33 N ATOM 761 CA GLY A 50 -17.272 17.041 -8.630 1.00 54.55 C ATOM 762 C GLY A 50 -16.433 15.824 -8.299 1.00 73.45 C ATOM 763 O GLY A 50 -15.501 15.902 -7.501 1.00 11.52 O ATOM 0 H GLY A 50 -18.788 17.083 -10.076 1.00 73.33 H new ATOM 0 HA2 GLY A 50 -16.742 17.656 -9.357 1.00 54.55 H new ATOM 0 HA3 GLY A 50 -17.398 17.646 -7.732 1.00 54.55 H new ATOM 767 N ASN A 51 -16.766 14.693 -8.914 1.00 3.30 N ATOM 768 CA ASN A 51 -16.038 13.452 -8.678 1.00 23.24 C ATOM 769 C ASN A 51 -14.970 13.236 -9.746 1.00 72.31 C ATOM 770 O ASN A 51 -15.162 12.463 -10.685 1.00 74.35 O ATOM 771 CB ASN A 51 -17.003 12.265 -8.659 1.00 24.01 C ATOM 772 CG ASN A 51 -16.489 11.114 -7.815 1.00 52.53 C ATOM 773 OD1 ASN A 51 -16.179 10.041 -8.331 1.00 12.50 O ATOM 774 ND2 ASN A 51 -16.396 11.335 -6.508 1.00 73.41 N ATOM 0 H ASN A 51 -17.535 14.611 -9.579 1.00 3.30 H new ATOM 0 HA ASN A 51 -15.547 13.528 -7.708 1.00 23.24 H new ATOM 0 HB2 ASN A 51 -17.969 12.592 -8.273 1.00 24.01 H new ATOM 0 HB3 ASN A 51 -17.168 11.918 -9.679 1.00 24.01 H new ATOM 0 HD21 ASN A 51 -16.056 10.599 -5.889 1.00 73.41 H new ATOM 0 HD22 ASN A 51 -16.664 12.241 -6.124 1.00 73.41 H new ATOM 781 N LEU A 52 -13.844 13.924 -9.596 1.00 5.21 N ATOM 782 CA LEU A 52 -12.743 13.808 -10.547 1.00 70.22 C ATOM 783 C LEU A 52 -12.137 12.408 -10.511 1.00 51.32 C ATOM 784 O LEU A 52 -11.384 12.024 -11.404 1.00 5.13 O ATOM 785 CB LEU A 52 -11.667 14.851 -10.241 1.00 64.44 C ATOM 786 CG LEU A 52 -11.166 14.895 -8.798 1.00 2.32 C ATOM 787 CD1 LEU A 52 -9.998 13.940 -8.608 1.00 41.31 C ATOM 788 CD2 LEU A 52 -10.767 16.313 -8.415 1.00 25.20 C ATOM 0 H LEU A 52 -13.669 14.568 -8.825 1.00 5.21 H new ATOM 0 HA LEU A 52 -13.139 13.986 -11.547 1.00 70.22 H new ATOM 0 HB2 LEU A 52 -10.815 14.667 -10.895 1.00 64.44 H new ATOM 0 HB3 LEU A 52 -12.059 15.835 -10.498 1.00 64.44 H new ATOM 0 HG LEU A 52 -11.977 14.578 -8.143 1.00 2.32 H new ATOM 0 HD11 LEU A 52 -9.655 13.986 -7.574 1.00 41.31 H new ATOM 0 HD12 LEU A 52 -10.317 12.924 -8.840 1.00 41.31 H new ATOM 0 HD13 LEU A 52 -9.183 14.225 -9.273 1.00 41.31 H new ATOM 0 HD21 LEU A 52 -10.413 16.325 -7.384 1.00 25.20 H new ATOM 0 HD22 LEU A 52 -9.972 16.658 -9.076 1.00 25.20 H new ATOM 0 HD23 LEU A 52 -11.630 16.972 -8.510 1.00 25.20 H new ATOM 800 N GLY A 53 -12.475 11.650 -9.472 1.00 24.22 N ATOM 801 CA GLY A 53 -11.957 10.301 -9.340 1.00 21.23 C ATOM 802 C GLY A 53 -10.520 10.276 -8.858 1.00 11.44 C ATOM 803 O GLY A 53 -10.170 10.953 -7.890 1.00 63.05 O ATOM 0 H GLY A 53 -13.098 11.946 -8.720 1.00 24.22 H new ATOM 0 HA2 GLY A 53 -12.581 9.742 -8.642 1.00 21.23 H new ATOM 0 HA3 GLY A 53 -12.023 9.794 -10.303 1.00 21.23 H new ATOM 807 N TYR A 54 -9.685 9.493 -9.531 1.00 63.45 N ATOM 808 CA TYR A 54 -8.278 9.379 -9.164 1.00 12.21 C ATOM 809 C TYR A 54 -7.460 10.508 -9.784 1.00 73.53 C ATOM 810 O TYR A 54 -7.616 10.827 -10.963 1.00 45.23 O ATOM 811 CB TYR A 54 -7.721 8.027 -9.608 1.00 63.35 C ATOM 812 CG TYR A 54 -7.705 6.988 -8.509 1.00 43.05 C ATOM 813 CD1 TYR A 54 -8.768 6.867 -7.624 1.00 54.22 C ATOM 814 CD2 TYR A 54 -6.625 6.126 -8.358 1.00 34.21 C ATOM 815 CE1 TYR A 54 -8.757 5.920 -6.618 1.00 41.23 C ATOM 816 CE2 TYR A 54 -6.606 5.175 -7.356 1.00 21.33 C ATOM 817 CZ TYR A 54 -7.674 5.077 -6.489 1.00 24.42 C ATOM 818 OH TYR A 54 -7.659 4.131 -5.489 1.00 21.11 O ATOM 0 H TYR A 54 -9.958 8.927 -10.334 1.00 63.45 H new ATOM 0 HA TYR A 54 -8.205 9.455 -8.079 1.00 12.21 H new ATOM 0 HB2 TYR A 54 -8.317 7.654 -10.441 1.00 63.35 H new ATOM 0 HB3 TYR A 54 -6.706 8.166 -9.980 1.00 63.35 H new ATOM 0 HD1 TYR A 54 -9.619 7.525 -7.724 1.00 54.22 H new ATOM 0 HD2 TYR A 54 -5.787 6.201 -9.035 1.00 34.21 H new ATOM 0 HE1 TYR A 54 -9.592 5.841 -5.937 1.00 41.23 H new ATOM 0 HE2 TYR A 54 -5.760 4.512 -7.252 1.00 21.33 H new ATOM 0 HH TYR A 54 -6.825 3.618 -5.537 1.00 21.11 H new ATOM 828 N PHE A 55 -6.588 11.108 -8.981 1.00 43.02 N ATOM 829 CA PHE A 55 -5.744 12.202 -9.450 1.00 71.11 C ATOM 830 C PHE A 55 -4.316 12.045 -8.937 1.00 73.22 C ATOM 831 O PHE A 55 -4.000 11.089 -8.227 1.00 4.33 O ATOM 832 CB PHE A 55 -6.317 13.546 -8.996 1.00 64.22 C ATOM 833 CG PHE A 55 -5.801 13.997 -7.659 1.00 61.54 C ATOM 834 CD1 PHE A 55 -5.869 13.159 -6.558 1.00 12.42 C ATOM 835 CD2 PHE A 55 -5.247 15.257 -7.505 1.00 52.12 C ATOM 836 CE1 PHE A 55 -5.396 13.572 -5.327 1.00 42.02 C ATOM 837 CE2 PHE A 55 -4.772 15.675 -6.277 1.00 43.11 C ATOM 838 CZ PHE A 55 -4.845 14.831 -5.186 1.00 33.11 C ATOM 0 H PHE A 55 -6.447 10.856 -8.003 1.00 43.02 H new ATOM 0 HA PHE A 55 -5.725 12.173 -10.539 1.00 71.11 H new ATOM 0 HB2 PHE A 55 -6.080 14.304 -9.743 1.00 64.22 H new ATOM 0 HB3 PHE A 55 -7.404 13.472 -8.951 1.00 64.22 H new ATOM 0 HD1 PHE A 55 -6.296 12.173 -6.663 1.00 12.42 H new ATOM 0 HD2 PHE A 55 -5.186 15.921 -8.355 1.00 52.12 H new ATOM 0 HE1 PHE A 55 -5.457 12.911 -4.475 1.00 42.02 H new ATOM 0 HE2 PHE A 55 -4.344 16.661 -6.170 1.00 43.11 H new ATOM 0 HZ PHE A 55 -4.472 15.154 -4.225 1.00 33.11 H new ATOM 848 N THR A 56 -3.455 12.990 -9.302 1.00 34.34 N ATOM 849 CA THR A 56 -2.060 12.958 -8.881 1.00 34.25 C ATOM 850 C THR A 56 -1.520 14.366 -8.659 1.00 21.43 C ATOM 851 O THR A 56 -2.260 15.346 -8.739 1.00 52.12 O ATOM 852 CB THR A 56 -1.177 12.238 -9.918 1.00 50.01 C ATOM 853 OG1 THR A 56 -1.050 13.042 -11.096 1.00 54.40 O ATOM 854 CG2 THR A 56 -1.766 10.883 -10.284 1.00 2.44 C ATOM 0 H THR A 56 -3.700 13.788 -9.889 1.00 34.34 H new ATOM 0 HA THR A 56 -2.026 12.407 -7.941 1.00 34.25 H new ATOM 0 HB THR A 56 -0.192 12.081 -9.477 1.00 50.01 H new ATOM 0 HG1 THR A 56 -0.486 12.578 -11.749 1.00 54.40 H new ATOM 0 HG21 THR A 56 -1.125 10.394 -11.017 1.00 2.44 H new ATOM 0 HG22 THR A 56 -1.834 10.263 -9.390 1.00 2.44 H new ATOM 0 HG23 THR A 56 -2.761 11.021 -10.707 1.00 2.44 H new ATOM 862 N LYS A 57 -0.224 14.459 -8.380 1.00 50.20 N ATOM 863 CA LYS A 57 0.417 15.749 -8.149 1.00 23.53 C ATOM 864 C LYS A 57 0.865 16.377 -9.464 1.00 41.20 C ATOM 865 O LYS A 57 1.782 15.884 -10.120 1.00 22.21 O ATOM 866 CB LYS A 57 1.618 15.583 -7.216 1.00 24.43 C ATOM 867 CG LYS A 57 1.285 14.874 -5.914 1.00 64.34 C ATOM 868 CD LYS A 57 1.999 15.510 -4.734 1.00 12.05 C ATOM 869 CE LYS A 57 3.454 15.076 -4.662 1.00 1.01 C ATOM 870 NZ LYS A 57 4.135 15.614 -3.452 1.00 21.54 N ATOM 0 H LYS A 57 0.403 13.657 -8.308 1.00 50.20 H new ATOM 0 HA LYS A 57 -0.312 16.411 -7.681 1.00 23.53 H new ATOM 0 HB2 LYS A 57 2.396 15.024 -7.735 1.00 24.43 H new ATOM 0 HB3 LYS A 57 2.030 16.566 -6.989 1.00 24.43 H new ATOM 0 HG2 LYS A 57 0.208 14.904 -5.748 1.00 64.34 H new ATOM 0 HG3 LYS A 57 1.567 13.824 -5.988 1.00 64.34 H new ATOM 0 HD2 LYS A 57 1.946 16.595 -4.818 1.00 12.05 H new ATOM 0 HD3 LYS A 57 1.491 15.236 -3.809 1.00 12.05 H new ATOM 0 HE2 LYS A 57 3.508 13.987 -4.655 1.00 1.01 H new ATOM 0 HE3 LYS A 57 3.979 15.416 -5.555 1.00 1.01 H new ATOM 0 HZ1 LYS A 57 5.125 15.295 -3.440 1.00 21.54 H new ATOM 0 HZ2 LYS A 57 4.106 16.653 -3.471 1.00 21.54 H new ATOM 0 HZ3 LYS A 57 3.650 15.270 -2.599 1.00 21.54 H new ATOM 884 N GLY A 58 0.212 17.472 -9.845 1.00 11.15 N ATOM 885 CA GLY A 58 0.558 18.151 -11.079 1.00 63.12 C ATOM 886 C GLY A 58 -0.604 18.219 -12.050 1.00 14.45 C ATOM 887 O GLY A 58 -0.426 18.560 -13.218 1.00 50.04 O ATOM 0 H GLY A 58 -0.551 17.900 -9.320 1.00 11.15 H new ATOM 0 HA2 GLY A 58 0.896 19.162 -10.851 1.00 63.12 H new ATOM 0 HA3 GLY A 58 1.393 17.634 -11.552 1.00 63.12 H new ATOM 891 N MET A 59 -1.798 17.894 -11.563 1.00 63.14 N ATOM 892 CA MET A 59 -2.994 17.919 -12.397 1.00 2.22 C ATOM 893 C MET A 59 -4.008 18.925 -11.861 1.00 13.15 C ATOM 894 O MET A 59 -5.104 19.066 -12.404 1.00 45.43 O ATOM 895 CB MET A 59 -3.625 16.527 -12.464 1.00 14.25 C ATOM 896 CG MET A 59 -2.732 15.487 -13.119 1.00 25.34 C ATOM 897 SD MET A 59 -2.953 15.407 -14.906 1.00 50.33 S ATOM 898 CE MET A 59 -4.640 14.817 -15.014 1.00 64.31 C ATOM 0 H MET A 59 -1.962 17.611 -10.597 1.00 63.14 H new ATOM 0 HA MET A 59 -2.701 18.225 -13.401 1.00 2.22 H new ATOM 0 HB2 MET A 59 -3.870 16.199 -11.454 1.00 14.25 H new ATOM 0 HB3 MET A 59 -4.563 16.588 -13.016 1.00 14.25 H new ATOM 0 HG2 MET A 59 -1.690 15.716 -12.896 1.00 25.34 H new ATOM 0 HG3 MET A 59 -2.943 14.509 -12.687 1.00 25.34 H new ATOM 0 HE1 MET A 59 -4.767 14.243 -15.932 1.00 64.31 H new ATOM 0 HE2 MET A 59 -4.859 14.181 -14.156 1.00 64.31 H new ATOM 0 HE3 MET A 59 -5.323 15.667 -15.020 1.00 64.31 H new ATOM 908 N MET A 60 -3.637 19.620 -10.791 1.00 2.21 N ATOM 909 CA MET A 60 -4.514 20.613 -10.183 1.00 13.02 C ATOM 910 C MET A 60 -3.742 21.882 -9.835 1.00 4.04 C ATOM 911 O MET A 60 -2.589 22.048 -10.234 1.00 70.51 O ATOM 912 CB MET A 60 -5.171 20.042 -8.925 1.00 34.23 C ATOM 913 CG MET A 60 -5.877 18.715 -9.157 1.00 12.42 C ATOM 914 SD MET A 60 -7.493 18.916 -9.932 1.00 72.55 S ATOM 915 CE MET A 60 -7.644 17.359 -10.806 1.00 14.22 C ATOM 0 H MET A 60 -2.735 19.514 -10.327 1.00 2.21 H new ATOM 0 HA MET A 60 -5.289 20.867 -10.906 1.00 13.02 H new ATOM 0 HB2 MET A 60 -4.410 19.910 -8.156 1.00 34.23 H new ATOM 0 HB3 MET A 60 -5.891 20.765 -8.541 1.00 34.23 H new ATOM 0 HG2 MET A 60 -5.253 18.081 -9.786 1.00 12.42 H new ATOM 0 HG3 MET A 60 -5.997 18.200 -8.204 1.00 12.42 H new ATOM 0 HE1 MET A 60 -8.596 17.331 -11.337 1.00 14.22 H new ATOM 0 HE2 MET A 60 -6.827 17.262 -11.521 1.00 14.22 H new ATOM 0 HE3 MET A 60 -7.602 16.536 -10.093 1.00 14.22 H new ATOM 925 N VAL A 61 -4.384 22.775 -9.089 1.00 25.24 N ATOM 926 CA VAL A 61 -3.756 24.029 -8.687 1.00 32.44 C ATOM 927 C VAL A 61 -3.136 23.912 -7.299 1.00 65.53 C ATOM 928 O VAL A 61 -3.442 22.988 -6.545 1.00 34.44 O ATOM 929 CB VAL A 61 -4.770 25.189 -8.688 1.00 23.21 C ATOM 930 CG1 VAL A 61 -5.487 25.269 -10.026 1.00 70.22 C ATOM 931 CG2 VAL A 61 -5.764 25.028 -7.549 1.00 10.40 C ATOM 0 H VAL A 61 -5.339 22.654 -8.751 1.00 25.24 H new ATOM 0 HA VAL A 61 -2.973 24.240 -9.415 1.00 32.44 H new ATOM 0 HB VAL A 61 -4.229 26.123 -8.537 1.00 23.21 H new ATOM 0 HG11 VAL A 61 -6.199 26.094 -10.008 1.00 70.22 H new ATOM 0 HG12 VAL A 61 -4.759 25.435 -10.820 1.00 70.22 H new ATOM 0 HG13 VAL A 61 -6.018 24.335 -10.211 1.00 70.22 H new ATOM 0 HG21 VAL A 61 -6.473 25.856 -7.565 1.00 10.40 H new ATOM 0 HG22 VAL A 61 -6.302 24.087 -7.666 1.00 10.40 H new ATOM 0 HG23 VAL A 61 -5.231 25.025 -6.598 1.00 10.40 H new ATOM 941 N LYS A 62 -2.262 24.855 -6.967 1.00 1.41 N ATOM 942 CA LYS A 62 -1.597 24.862 -5.669 1.00 72.42 C ATOM 943 C LYS A 62 -2.618 24.802 -4.536 1.00 25.11 C ATOM 944 O LYS A 62 -2.606 23.893 -3.706 1.00 1.03 O ATOM 945 CB LYS A 62 -0.729 26.114 -5.523 1.00 74.30 C ATOM 946 CG LYS A 62 -0.555 26.568 -4.084 1.00 24.45 C ATOM 947 CD LYS A 62 0.094 25.488 -3.234 1.00 63.50 C ATOM 948 CE LYS A 62 0.042 25.837 -1.755 1.00 30.23 C ATOM 949 NZ LYS A 62 1.093 26.823 -1.380 1.00 11.45 N ATOM 0 H LYS A 62 -1.997 25.626 -7.580 1.00 1.41 H new ATOM 0 HA LYS A 62 -0.961 23.979 -5.609 1.00 72.42 H new ATOM 0 HB2 LYS A 62 0.252 25.918 -5.955 1.00 74.30 H new ATOM 0 HB3 LYS A 62 -1.175 26.924 -6.100 1.00 74.30 H new ATOM 0 HG2 LYS A 62 0.056 27.470 -4.057 1.00 24.45 H new ATOM 0 HG3 LYS A 62 -1.526 26.829 -3.664 1.00 24.45 H new ATOM 0 HD2 LYS A 62 -0.412 24.538 -3.403 1.00 63.50 H new ATOM 0 HD3 LYS A 62 1.131 25.356 -3.542 1.00 63.50 H new ATOM 0 HE2 LYS A 62 -0.940 26.243 -1.512 1.00 30.23 H new ATOM 0 HE3 LYS A 62 0.167 24.930 -1.163 1.00 30.23 H new ATOM 0 HZ1 LYS A 62 1.024 27.035 -0.364 1.00 11.45 H new ATOM 0 HZ2 LYS A 62 2.031 26.426 -1.588 1.00 11.45 H new ATOM 0 HZ3 LYS A 62 0.959 27.698 -1.926 1.00 11.45 H new ATOM 963 N PRO A 63 -3.521 25.791 -4.500 1.00 54.42 N ATOM 964 CA PRO A 63 -4.566 25.872 -3.474 1.00 50.11 C ATOM 965 C PRO A 63 -5.621 24.782 -3.634 1.00 43.32 C ATOM 966 O PRO A 63 -6.820 25.049 -3.559 1.00 42.45 O ATOM 967 CB PRO A 63 -5.185 27.253 -3.707 1.00 31.13 C ATOM 968 CG PRO A 63 -4.916 27.552 -5.141 1.00 1.31 C ATOM 969 CD PRO A 63 -3.594 26.907 -5.457 1.00 54.42 C ATOM 0 HA PRO A 63 -4.164 25.733 -2.470 1.00 50.11 H new ATOM 0 HB2 PRO A 63 -6.255 27.248 -3.498 1.00 31.13 H new ATOM 0 HB3 PRO A 63 -4.736 28.003 -3.055 1.00 31.13 H new ATOM 0 HG2 PRO A 63 -5.706 27.154 -5.778 1.00 1.31 H new ATOM 0 HG3 PRO A 63 -4.877 28.627 -5.315 1.00 1.31 H new ATOM 0 HD2 PRO A 63 -3.555 26.555 -6.488 1.00 54.42 H new ATOM 0 HD3 PRO A 63 -2.766 27.603 -5.326 1.00 54.42 H new ATOM 977 N PHE A 64 -5.165 23.553 -3.853 1.00 73.45 N ATOM 978 CA PHE A 64 -6.071 22.422 -4.023 1.00 45.45 C ATOM 979 C PHE A 64 -5.314 21.101 -3.926 1.00 1.02 C ATOM 980 O PHE A 64 -5.609 20.268 -3.069 1.00 4.11 O ATOM 981 CB PHE A 64 -6.787 22.513 -5.372 1.00 42.25 C ATOM 982 CG PHE A 64 -7.690 21.347 -5.652 1.00 10.34 C ATOM 983 CD1 PHE A 64 -7.183 20.172 -6.182 1.00 50.15 C ATOM 984 CD2 PHE A 64 -9.048 21.426 -5.384 1.00 70.21 C ATOM 985 CE1 PHE A 64 -8.012 19.096 -6.440 1.00 11.21 C ATOM 986 CE2 PHE A 64 -9.882 20.354 -5.639 1.00 42.11 C ATOM 987 CZ PHE A 64 -9.364 19.188 -6.169 1.00 50.43 C ATOM 0 H PHE A 64 -4.175 23.315 -3.917 1.00 73.45 H new ATOM 0 HA PHE A 64 -6.811 22.458 -3.223 1.00 45.45 H new ATOM 0 HB2 PHE A 64 -7.373 23.431 -5.402 1.00 42.25 H new ATOM 0 HB3 PHE A 64 -6.043 22.584 -6.165 1.00 42.25 H new ATOM 0 HD1 PHE A 64 -6.127 20.095 -6.396 1.00 50.15 H new ATOM 0 HD2 PHE A 64 -9.459 22.336 -4.971 1.00 70.21 H new ATOM 0 HE1 PHE A 64 -7.604 18.185 -6.853 1.00 11.21 H new ATOM 0 HE2 PHE A 64 -10.938 20.428 -5.424 1.00 42.11 H new ATOM 0 HZ PHE A 64 -10.015 18.350 -6.371 1.00 50.43 H new ATOM 997 N GLU A 65 -4.338 20.917 -4.809 1.00 43.44 N ATOM 998 CA GLU A 65 -3.539 19.697 -4.823 1.00 32.35 C ATOM 999 C GLU A 65 -2.945 19.420 -3.444 1.00 52.32 C ATOM 1000 O GLU A 65 -3.009 18.297 -2.943 1.00 45.14 O ATOM 1001 CB GLU A 65 -2.421 19.805 -5.861 1.00 63.41 C ATOM 1002 CG GLU A 65 -1.425 18.658 -5.804 1.00 30.25 C ATOM 1003 CD GLU A 65 -0.285 18.825 -6.789 1.00 30.24 C ATOM 1004 OE1 GLU A 65 -0.539 19.295 -7.917 1.00 53.02 O ATOM 1005 OE2 GLU A 65 0.863 18.487 -6.430 1.00 30.15 O ATOM 0 H GLU A 65 -4.081 21.597 -5.524 1.00 43.44 H new ATOM 0 HA GLU A 65 -4.193 18.867 -5.091 1.00 32.35 H new ATOM 0 HB2 GLU A 65 -2.863 19.842 -6.857 1.00 63.41 H new ATOM 0 HB3 GLU A 65 -1.889 20.745 -5.713 1.00 63.41 H new ATOM 0 HG2 GLU A 65 -1.020 18.583 -4.795 1.00 30.25 H new ATOM 0 HG3 GLU A 65 -1.943 17.721 -6.009 1.00 30.25 H new ATOM 1012 N ASP A 66 -2.367 20.452 -2.839 1.00 34.55 N ATOM 1013 CA ASP A 66 -1.762 20.322 -1.519 1.00 34.54 C ATOM 1014 C ASP A 66 -2.772 19.787 -0.507 1.00 62.22 C ATOM 1015 O ASP A 66 -2.436 18.966 0.346 1.00 24.52 O ATOM 1016 CB ASP A 66 -1.216 21.670 -1.048 1.00 51.40 C ATOM 1017 CG ASP A 66 -0.267 21.534 0.125 1.00 20.15 C ATOM 1018 OD1 ASP A 66 -0.752 21.390 1.268 1.00 72.40 O ATOM 1019 OD2 ASP A 66 0.961 21.571 -0.097 1.00 31.52 O ATOM 0 H ASP A 66 -2.305 21.387 -3.242 1.00 34.55 H new ATOM 0 HA ASP A 66 -0.939 19.612 -1.594 1.00 34.54 H new ATOM 0 HB2 ASP A 66 -0.699 22.158 -1.875 1.00 51.40 H new ATOM 0 HB3 ASP A 66 -2.047 22.316 -0.766 1.00 51.40 H new ATOM 1024 N ALA A 67 -4.010 20.258 -0.609 1.00 52.23 N ATOM 1025 CA ALA A 67 -5.069 19.828 0.295 1.00 21.13 C ATOM 1026 C ALA A 67 -6.051 18.901 -0.412 1.00 20.31 C ATOM 1027 O ALA A 67 -7.257 18.961 -0.174 1.00 23.22 O ATOM 1028 CB ALA A 67 -5.798 21.035 0.868 1.00 64.24 C ATOM 0 H ALA A 67 -4.304 20.938 -1.310 1.00 52.23 H new ATOM 0 HA ALA A 67 -4.610 19.273 1.113 1.00 21.13 H new ATOM 0 HB1 ALA A 67 -6.586 20.698 1.541 1.00 64.24 H new ATOM 0 HB2 ALA A 67 -5.093 21.659 1.418 1.00 64.24 H new ATOM 0 HB3 ALA A 67 -6.238 21.614 0.056 1.00 64.24 H new ATOM 1034 N ALA A 68 -5.527 18.043 -1.283 1.00 41.41 N ATOM 1035 CA ALA A 68 -6.359 17.103 -2.023 1.00 43.01 C ATOM 1036 C ALA A 68 -6.006 15.662 -1.669 1.00 13.24 C ATOM 1037 O ALA A 68 -6.814 14.752 -1.855 1.00 24.12 O ATOM 1038 CB ALA A 68 -6.209 17.332 -3.521 1.00 5.24 C ATOM 0 H ALA A 68 -4.531 17.980 -1.493 1.00 41.41 H new ATOM 0 HA ALA A 68 -7.398 17.275 -1.742 1.00 43.01 H new ATOM 0 HB1 ALA A 68 -6.836 16.623 -4.062 1.00 5.24 H new ATOM 0 HB2 ALA A 68 -6.516 18.349 -3.766 1.00 5.24 H new ATOM 0 HB3 ALA A 68 -5.167 17.188 -3.809 1.00 5.24 H new ATOM 1044 N PHE A 69 -4.796 15.462 -1.158 1.00 14.41 N ATOM 1045 CA PHE A 69 -4.336 14.131 -0.780 1.00 12.23 C ATOM 1046 C PHE A 69 -3.938 14.092 0.693 1.00 44.04 C ATOM 1047 O PHE A 69 -3.555 13.046 1.218 1.00 54.41 O ATOM 1048 CB PHE A 69 -3.152 13.710 -1.651 1.00 54.24 C ATOM 1049 CG PHE A 69 -2.145 14.804 -1.862 1.00 63.43 C ATOM 1050 CD1 PHE A 69 -1.475 15.363 -0.787 1.00 4.42 C ATOM 1051 CD2 PHE A 69 -1.866 15.271 -3.138 1.00 34.55 C ATOM 1052 CE1 PHE A 69 -0.547 16.371 -0.979 1.00 21.44 C ATOM 1053 CE2 PHE A 69 -0.940 16.277 -3.335 1.00 53.24 C ATOM 1054 CZ PHE A 69 -0.279 16.827 -2.254 1.00 70.30 C ATOM 0 H PHE A 69 -4.116 16.205 -0.996 1.00 14.41 H new ATOM 0 HA PHE A 69 -5.158 13.432 -0.936 1.00 12.23 H new ATOM 0 HB2 PHE A 69 -2.657 12.856 -1.189 1.00 54.24 H new ATOM 0 HB3 PHE A 69 -3.524 13.378 -2.620 1.00 54.24 H new ATOM 0 HD1 PHE A 69 -1.679 15.008 0.212 1.00 4.42 H new ATOM 0 HD2 PHE A 69 -2.378 14.843 -3.987 1.00 34.55 H new ATOM 0 HE1 PHE A 69 -0.033 16.801 -0.132 1.00 21.44 H new ATOM 0 HE2 PHE A 69 -0.733 16.633 -4.333 1.00 53.24 H new ATOM 0 HZ PHE A 69 0.446 17.613 -2.406 1.00 70.30 H new ATOM 1064 N LYS A 70 -4.029 15.241 1.355 1.00 74.22 N ATOM 1065 CA LYS A 70 -3.679 15.341 2.767 1.00 60.30 C ATOM 1066 C LYS A 70 -4.892 15.061 3.649 1.00 21.41 C ATOM 1067 O LYS A 70 -4.853 15.275 4.861 1.00 2.41 O ATOM 1068 CB LYS A 70 -3.119 16.730 3.078 1.00 13.32 C ATOM 1069 CG LYS A 70 -4.192 17.785 3.290 1.00 64.14 C ATOM 1070 CD LYS A 70 -3.586 19.162 3.498 1.00 44.20 C ATOM 1071 CE LYS A 70 -4.646 20.188 3.866 1.00 20.25 C ATOM 1072 NZ LYS A 70 -4.851 20.268 5.339 1.00 13.44 N ATOM 0 H LYS A 70 -4.342 16.116 0.936 1.00 74.22 H new ATOM 0 HA LYS A 70 -2.916 14.593 2.980 1.00 60.30 H new ATOM 0 HB2 LYS A 70 -2.498 16.670 3.972 1.00 13.32 H new ATOM 0 HB3 LYS A 70 -2.470 17.043 2.260 1.00 13.32 H new ATOM 0 HG2 LYS A 70 -4.858 17.806 2.428 1.00 64.14 H new ATOM 0 HG3 LYS A 70 -4.799 17.519 4.155 1.00 64.14 H new ATOM 0 HD2 LYS A 70 -2.835 19.115 4.286 1.00 44.20 H new ATOM 0 HD3 LYS A 70 -3.074 19.476 2.589 1.00 44.20 H new ATOM 0 HE2 LYS A 70 -4.352 21.167 3.486 1.00 20.25 H new ATOM 0 HE3 LYS A 70 -5.587 19.928 3.382 1.00 20.25 H new ATOM 0 HZ1 LYS A 70 -5.581 20.978 5.550 1.00 13.44 H new ATOM 0 HZ2 LYS A 70 -5.156 19.341 5.698 1.00 13.44 H new ATOM 0 HZ3 LYS A 70 -3.959 20.541 5.799 1.00 13.44 H new ATOM 1086 N LEU A 71 -5.966 14.578 3.034 1.00 53.51 N ATOM 1087 CA LEU A 71 -7.190 14.267 3.764 1.00 13.52 C ATOM 1088 C LEU A 71 -7.242 12.789 4.133 1.00 35.32 C ATOM 1089 O LEU A 71 -6.437 11.991 3.655 1.00 64.00 O ATOM 1090 CB LEU A 71 -8.416 14.640 2.927 1.00 22.01 C ATOM 1091 CG LEU A 71 -8.300 15.920 2.100 1.00 44.54 C ATOM 1092 CD1 LEU A 71 -9.473 16.045 1.141 1.00 71.03 C ATOM 1093 CD2 LEU A 71 -8.219 17.138 3.010 1.00 55.23 C ATOM 0 H LEU A 71 -6.014 14.393 2.032 1.00 53.51 H new ATOM 0 HA LEU A 71 -7.195 14.852 4.683 1.00 13.52 H new ATOM 0 HB2 LEU A 71 -8.635 13.813 2.251 1.00 22.01 H new ATOM 0 HB3 LEU A 71 -9.271 14.740 3.596 1.00 22.01 H new ATOM 0 HG LEU A 71 -7.383 15.868 1.513 1.00 44.54 H new ATOM 0 HD11 LEU A 71 -9.373 16.962 0.561 1.00 71.03 H new ATOM 0 HD12 LEU A 71 -9.484 15.189 0.467 1.00 71.03 H new ATOM 0 HD13 LEU A 71 -10.404 16.074 1.707 1.00 71.03 H new ATOM 0 HD21 LEU A 71 -8.137 18.040 2.404 1.00 55.23 H new ATOM 0 HD22 LEU A 71 -9.118 17.194 3.624 1.00 55.23 H new ATOM 0 HD23 LEU A 71 -7.344 17.053 3.655 1.00 55.23 H new ATOM 1105 N GLN A 72 -8.198 12.430 4.985 1.00 53.31 N ATOM 1106 CA GLN A 72 -8.356 11.047 5.417 1.00 72.32 C ATOM 1107 C GLN A 72 -9.330 10.301 4.510 1.00 13.50 C ATOM 1108 O GLN A 72 -10.012 10.907 3.683 1.00 71.02 O ATOM 1109 CB GLN A 72 -8.847 10.995 6.865 1.00 75.01 C ATOM 1110 CG GLN A 72 -8.106 9.983 7.723 1.00 13.22 C ATOM 1111 CD GLN A 72 -8.351 10.184 9.205 1.00 4.23 C ATOM 1112 OE1 GLN A 72 -8.105 11.263 9.746 1.00 35.03 O ATOM 1113 NE2 GLN A 72 -8.838 9.143 9.872 1.00 1.51 N ATOM 0 H GLN A 72 -8.874 13.078 5.389 1.00 53.31 H new ATOM 0 HA GLN A 72 -7.383 10.560 5.353 1.00 72.32 H new ATOM 0 HB2 GLN A 72 -8.741 11.984 7.311 1.00 75.01 H new ATOM 0 HB3 GLN A 72 -9.910 10.755 6.871 1.00 75.01 H new ATOM 0 HG2 GLN A 72 -8.416 8.977 7.441 1.00 13.22 H new ATOM 0 HG3 GLN A 72 -7.037 10.056 7.522 1.00 13.22 H new ATOM 0 HE21 GLN A 72 -9.027 8.268 9.384 1.00 1.51 H new ATOM 0 HE22 GLN A 72 -9.023 9.219 10.872 1.00 1.51 H new ATOM 1122 N VAL A 73 -9.390 8.983 4.670 1.00 15.24 N ATOM 1123 CA VAL A 73 -10.281 8.155 3.867 1.00 34.30 C ATOM 1124 C VAL A 73 -11.741 8.519 4.112 1.00 12.22 C ATOM 1125 O VAL A 73 -12.338 8.101 5.103 1.00 61.23 O ATOM 1126 CB VAL A 73 -10.080 6.658 4.169 1.00 64.45 C ATOM 1127 CG1 VAL A 73 -10.943 5.807 3.248 1.00 4.32 C ATOM 1128 CG2 VAL A 73 -8.612 6.281 4.037 1.00 53.15 C ATOM 0 H VAL A 73 -8.832 8.466 5.349 1.00 15.24 H new ATOM 0 HA VAL A 73 -10.033 8.345 2.823 1.00 34.30 H new ATOM 0 HB VAL A 73 -10.390 6.467 5.197 1.00 64.45 H new ATOM 0 HG11 VAL A 73 -10.788 4.752 3.476 1.00 4.32 H new ATOM 0 HG12 VAL A 73 -11.993 6.060 3.397 1.00 4.32 H new ATOM 0 HG13 VAL A 73 -10.667 5.999 2.211 1.00 4.32 H new ATOM 0 HG21 VAL A 73 -8.488 5.220 4.254 1.00 53.15 H new ATOM 0 HG22 VAL A 73 -8.274 6.486 3.021 1.00 53.15 H new ATOM 0 HG23 VAL A 73 -8.021 6.867 4.741 1.00 53.15 H new ATOM 1138 N GLY A 74 -12.311 9.304 3.201 1.00 22.00 N ATOM 1139 CA GLY A 74 -13.696 9.712 3.337 1.00 12.41 C ATOM 1140 C GLY A 74 -13.854 10.957 4.187 1.00 44.33 C ATOM 1141 O GLY A 74 -14.902 11.173 4.793 1.00 3.51 O ATOM 0 H GLY A 74 -11.838 9.664 2.372 1.00 22.00 H new ATOM 0 HA2 GLY A 74 -14.116 9.896 2.348 1.00 12.41 H new ATOM 0 HA3 GLY A 74 -14.269 8.898 3.781 1.00 12.41 H new ATOM 1145 N GLU A 75 -12.808 11.777 4.231 1.00 53.25 N ATOM 1146 CA GLU A 75 -12.836 13.007 5.015 1.00 32.44 C ATOM 1147 C GLU A 75 -12.914 14.231 4.107 1.00 61.45 C ATOM 1148 O GLU A 75 -12.363 14.236 3.006 1.00 60.24 O ATOM 1149 CB GLU A 75 -11.595 13.097 5.906 1.00 3.21 C ATOM 1150 CG GLU A 75 -11.891 13.583 7.314 1.00 11.33 C ATOM 1151 CD GLU A 75 -10.647 13.660 8.179 1.00 44.45 C ATOM 1152 OE1 GLU A 75 -9.626 14.199 7.702 1.00 20.11 O ATOM 1153 OE2 GLU A 75 -10.695 13.181 9.331 1.00 11.50 O ATOM 0 H GLU A 75 -11.933 11.612 3.734 1.00 53.25 H new ATOM 0 HA GLU A 75 -13.726 12.987 5.644 1.00 32.44 H new ATOM 0 HB2 GLU A 75 -11.126 12.115 5.961 1.00 3.21 H new ATOM 0 HB3 GLU A 75 -10.873 13.770 5.443 1.00 3.21 H new ATOM 0 HG2 GLU A 75 -12.356 14.568 7.264 1.00 11.33 H new ATOM 0 HG3 GLU A 75 -12.613 12.913 7.781 1.00 11.33 H new ATOM 1160 N VAL A 76 -13.602 15.266 4.576 1.00 13.21 N ATOM 1161 CA VAL A 76 -13.752 16.496 3.808 1.00 41.12 C ATOM 1162 C VAL A 76 -12.685 17.516 4.188 1.00 24.42 C ATOM 1163 O VAL A 76 -12.370 17.691 5.365 1.00 43.14 O ATOM 1164 CB VAL A 76 -15.143 17.123 4.018 1.00 1.42 C ATOM 1165 CG1 VAL A 76 -15.289 18.389 3.189 1.00 74.34 C ATOM 1166 CG2 VAL A 76 -16.236 16.121 3.676 1.00 12.54 C ATOM 0 H VAL A 76 -14.065 15.277 5.485 1.00 13.21 H new ATOM 0 HA VAL A 76 -13.637 16.228 2.758 1.00 41.12 H new ATOM 0 HB VAL A 76 -15.246 17.393 5.069 1.00 1.42 H new ATOM 0 HG11 VAL A 76 -16.278 18.818 3.351 1.00 74.34 H new ATOM 0 HG12 VAL A 76 -14.528 19.110 3.488 1.00 74.34 H new ATOM 0 HG13 VAL A 76 -15.166 18.149 2.133 1.00 74.34 H new ATOM 0 HG21 VAL A 76 -17.212 16.581 3.830 1.00 12.54 H new ATOM 0 HG22 VAL A 76 -16.138 15.818 2.634 1.00 12.54 H new ATOM 0 HG23 VAL A 76 -16.142 15.246 4.319 1.00 12.54 H new ATOM 1176 N SER A 77 -12.130 18.185 3.182 1.00 0.54 N ATOM 1177 CA SER A 77 -11.093 19.185 3.411 1.00 11.50 C ATOM 1178 C SER A 77 -11.705 20.507 3.868 1.00 40.15 C ATOM 1179 O SER A 77 -12.879 20.566 4.232 1.00 1.22 O ATOM 1180 CB SER A 77 -10.275 19.404 2.137 1.00 61.41 C ATOM 1181 OG SER A 77 -10.841 20.425 1.335 1.00 51.25 O ATOM 0 H SER A 77 -12.381 18.053 2.202 1.00 0.54 H new ATOM 0 HA SER A 77 -10.435 18.816 4.198 1.00 11.50 H new ATOM 0 HB2 SER A 77 -9.251 19.670 2.400 1.00 61.41 H new ATOM 0 HB3 SER A 77 -10.227 18.475 1.568 1.00 61.41 H new ATOM 0 HG SER A 77 -10.191 21.149 1.220 1.00 51.25 H new ATOM 1187 N GLU A 78 -10.900 21.565 3.843 1.00 3.13 N ATOM 1188 CA GLU A 78 -11.361 22.885 4.255 1.00 13.11 C ATOM 1189 C GLU A 78 -11.627 23.771 3.042 1.00 14.33 C ATOM 1190 O GLU A 78 -11.147 23.516 1.938 1.00 53.33 O ATOM 1191 CB GLU A 78 -10.329 23.548 5.169 1.00 1.42 C ATOM 1192 CG GLU A 78 -8.891 23.254 4.778 1.00 61.42 C ATOM 1193 CD GLU A 78 -7.887 23.940 5.683 1.00 20.04 C ATOM 1194 OE1 GLU A 78 -8.247 24.967 6.298 1.00 23.41 O ATOM 1195 OE2 GLU A 78 -6.743 23.450 5.778 1.00 43.22 O ATOM 0 H GLU A 78 -9.926 21.533 3.542 1.00 3.13 H new ATOM 0 HA GLU A 78 -12.294 22.761 4.804 1.00 13.11 H new ATOM 0 HB2 GLU A 78 -10.486 24.627 5.158 1.00 1.42 H new ATOM 0 HB3 GLU A 78 -10.494 23.212 6.193 1.00 1.42 H new ATOM 0 HG2 GLU A 78 -8.724 22.177 4.807 1.00 61.42 H new ATOM 0 HG3 GLU A 78 -8.726 23.575 3.749 1.00 61.42 H new ATOM 1202 N PRO A 79 -12.411 24.840 3.250 1.00 33.30 N ATOM 1203 CA PRO A 79 -12.759 25.787 2.186 1.00 31.44 C ATOM 1204 C PRO A 79 -11.565 26.626 1.745 1.00 53.43 C ATOM 1205 O PRO A 79 -11.374 27.746 2.218 1.00 4.31 O ATOM 1206 CB PRO A 79 -13.826 26.672 2.835 1.00 40.54 C ATOM 1207 CG PRO A 79 -13.549 26.592 4.296 1.00 62.01 C ATOM 1208 CD PRO A 79 -13.019 25.206 4.541 1.00 24.41 C ATOM 0 HA PRO A 79 -13.099 25.280 1.283 1.00 31.44 H new ATOM 0 HB2 PRO A 79 -13.760 27.699 2.476 1.00 40.54 H new ATOM 0 HB3 PRO A 79 -14.830 26.316 2.603 1.00 40.54 H new ATOM 0 HG2 PRO A 79 -12.823 27.347 4.597 1.00 62.01 H new ATOM 0 HG3 PRO A 79 -14.455 26.772 4.875 1.00 62.01 H new ATOM 0 HD2 PRO A 79 -12.287 25.193 5.348 1.00 24.41 H new ATOM 0 HD3 PRO A 79 -13.814 24.515 4.821 1.00 24.41 H new ATOM 1216 N ILE A 80 -10.766 26.079 0.835 1.00 33.34 N ATOM 1217 CA ILE A 80 -9.593 26.778 0.329 1.00 45.34 C ATOM 1218 C ILE A 80 -9.987 27.867 -0.663 1.00 70.12 C ATOM 1219 O ILE A 80 -10.436 27.578 -1.773 1.00 54.33 O ATOM 1220 CB ILE A 80 -8.609 25.809 -0.353 1.00 71.01 C ATOM 1221 CG1 ILE A 80 -8.340 24.603 0.549 1.00 63.22 C ATOM 1222 CG2 ILE A 80 -7.311 26.525 -0.693 1.00 24.12 C ATOM 1223 CD1 ILE A 80 -7.601 24.953 1.822 1.00 42.55 C ATOM 0 H ILE A 80 -10.911 25.153 0.433 1.00 33.34 H new ATOM 0 HA ILE A 80 -9.103 27.234 1.189 1.00 45.34 H new ATOM 0 HB ILE A 80 -9.057 25.452 -1.280 1.00 71.01 H new ATOM 0 HG12 ILE A 80 -9.289 24.134 0.807 1.00 63.22 H new ATOM 0 HG13 ILE A 80 -7.761 23.866 -0.007 1.00 63.22 H new ATOM 0 HG21 ILE A 80 -6.626 25.827 -1.174 1.00 24.12 H new ATOM 0 HG22 ILE A 80 -7.519 27.354 -1.369 1.00 24.12 H new ATOM 0 HG23 ILE A 80 -6.856 26.908 0.221 1.00 24.12 H new ATOM 0 HD11 ILE A 80 -7.445 24.050 2.412 1.00 42.55 H new ATOM 0 HD12 ILE A 80 -6.636 25.395 1.573 1.00 42.55 H new ATOM 0 HD13 ILE A 80 -8.189 25.667 2.399 1.00 42.55 H new ATOM 1235 N LYS A 81 -9.815 29.120 -0.258 1.00 10.34 N ATOM 1236 CA LYS A 81 -10.150 30.254 -1.112 1.00 11.52 C ATOM 1237 C LYS A 81 -9.116 30.424 -2.219 1.00 42.44 C ATOM 1238 O LYS A 81 -7.959 30.753 -1.957 1.00 71.13 O ATOM 1239 CB LYS A 81 -10.239 31.536 -0.281 1.00 23.40 C ATOM 1240 CG LYS A 81 -10.819 32.716 -1.043 1.00 24.44 C ATOM 1241 CD LYS A 81 -12.167 33.133 -0.482 1.00 21.31 C ATOM 1242 CE LYS A 81 -12.706 34.369 -1.187 1.00 32.23 C ATOM 1243 NZ LYS A 81 -13.811 35.007 -0.420 1.00 45.11 N ATOM 0 H LYS A 81 -9.445 29.377 0.657 1.00 10.34 H new ATOM 0 HA LYS A 81 -11.119 30.058 -1.571 1.00 11.52 H new ATOM 0 HB2 LYS A 81 -10.852 31.346 0.600 1.00 23.40 H new ATOM 0 HB3 LYS A 81 -9.243 31.798 0.075 1.00 23.40 H new ATOM 0 HG2 LYS A 81 -10.128 33.557 -0.994 1.00 24.44 H new ATOM 0 HG3 LYS A 81 -10.927 32.453 -2.095 1.00 24.44 H new ATOM 0 HD2 LYS A 81 -12.877 32.313 -0.590 1.00 21.31 H new ATOM 0 HD3 LYS A 81 -12.072 33.334 0.585 1.00 21.31 H new ATOM 0 HE2 LYS A 81 -11.899 35.088 -1.327 1.00 32.23 H new ATOM 0 HE3 LYS A 81 -13.064 34.094 -2.179 1.00 32.23 H new ATOM 0 HZ1 LYS A 81 -14.633 35.142 -1.043 1.00 45.11 H new ATOM 0 HZ2 LYS A 81 -14.078 34.396 0.378 1.00 45.11 H new ATOM 0 HZ3 LYS A 81 -13.495 35.930 -0.059 1.00 45.11 H new ATOM 1257 N SER A 82 -9.540 30.202 -3.459 1.00 74.12 N ATOM 1258 CA SER A 82 -8.650 30.328 -4.608 1.00 11.13 C ATOM 1259 C SER A 82 -9.290 31.180 -5.699 1.00 42.24 C ATOM 1260 O SER A 82 -10.344 31.780 -5.494 1.00 54.53 O ATOM 1261 CB SER A 82 -8.300 28.947 -5.163 1.00 21.53 C ATOM 1262 OG SER A 82 -9.214 28.557 -6.173 1.00 25.33 O ATOM 0 H SER A 82 -10.496 29.934 -3.694 1.00 74.12 H new ATOM 0 HA SER A 82 -7.736 30.820 -4.276 1.00 11.13 H new ATOM 0 HB2 SER A 82 -7.288 28.960 -5.569 1.00 21.53 H new ATOM 0 HB3 SER A 82 -8.310 28.214 -4.356 1.00 21.53 H new ATOM 0 HG SER A 82 -9.207 27.581 -6.261 1.00 25.33 H new ATOM 1268 N GLU A 83 -8.643 31.228 -6.859 1.00 50.05 N ATOM 1269 CA GLU A 83 -9.148 32.007 -7.984 1.00 52.42 C ATOM 1270 C GLU A 83 -10.539 31.532 -8.394 1.00 23.30 C ATOM 1271 O GLU A 83 -11.329 32.295 -8.951 1.00 32.03 O ATOM 1272 CB GLU A 83 -8.191 31.906 -9.174 1.00 2.21 C ATOM 1273 CG GLU A 83 -7.920 30.479 -9.617 1.00 3.00 C ATOM 1274 CD GLU A 83 -6.610 30.340 -10.369 1.00 32.14 C ATOM 1275 OE1 GLU A 83 -5.545 30.384 -9.717 1.00 32.30 O ATOM 1276 OE2 GLU A 83 -6.650 30.188 -11.608 1.00 22.12 O ATOM 0 H GLU A 83 -7.768 30.737 -7.045 1.00 50.05 H new ATOM 0 HA GLU A 83 -9.217 33.048 -7.670 1.00 52.42 H new ATOM 0 HB2 GLU A 83 -8.607 32.465 -10.012 1.00 2.21 H new ATOM 0 HB3 GLU A 83 -7.246 32.382 -8.911 1.00 2.21 H new ATOM 0 HG2 GLU A 83 -7.904 29.828 -8.743 1.00 3.00 H new ATOM 0 HG3 GLU A 83 -8.737 30.138 -10.253 1.00 3.00 H new ATOM 1283 N PHE A 84 -10.832 30.265 -8.115 1.00 44.44 N ATOM 1284 CA PHE A 84 -12.125 29.687 -8.456 1.00 72.24 C ATOM 1285 C PHE A 84 -13.084 29.760 -7.272 1.00 4.44 C ATOM 1286 O PHE A 84 -14.294 29.608 -7.427 1.00 31.24 O ATOM 1287 CB PHE A 84 -11.957 28.233 -8.902 1.00 4.33 C ATOM 1288 CG PHE A 84 -10.861 28.037 -9.910 1.00 14.43 C ATOM 1289 CD1 PHE A 84 -10.850 28.765 -11.090 1.00 33.50 C ATOM 1290 CD2 PHE A 84 -9.842 27.128 -9.678 1.00 41.32 C ATOM 1291 CE1 PHE A 84 -9.843 28.587 -12.020 1.00 34.51 C ATOM 1292 CE2 PHE A 84 -8.832 26.945 -10.605 1.00 50.33 C ATOM 1293 CZ PHE A 84 -8.832 27.677 -11.777 1.00 33.33 C ATOM 0 H PHE A 84 -10.190 29.620 -7.654 1.00 44.44 H new ATOM 0 HA PHE A 84 -12.547 30.265 -9.278 1.00 72.24 H new ATOM 0 HB2 PHE A 84 -11.751 27.615 -8.028 1.00 4.33 H new ATOM 0 HB3 PHE A 84 -12.897 27.881 -9.327 1.00 4.33 H new ATOM 0 HD1 PHE A 84 -11.637 29.479 -11.285 1.00 33.50 H new ATOM 0 HD2 PHE A 84 -9.836 26.555 -8.762 1.00 41.32 H new ATOM 0 HE1 PHE A 84 -9.846 29.159 -12.936 1.00 34.51 H new ATOM 0 HE2 PHE A 84 -8.045 26.231 -10.413 1.00 50.33 H new ATOM 0 HZ PHE A 84 -8.043 27.538 -12.502 1.00 33.33 H new ATOM 1303 N GLY A 85 -12.531 29.994 -6.084 1.00 42.55 N ATOM 1304 CA GLY A 85 -13.349 30.082 -4.890 1.00 4.34 C ATOM 1305 C GLY A 85 -12.960 29.057 -3.843 1.00 3.13 C ATOM 1306 O GLY A 85 -11.809 28.622 -3.789 1.00 30.41 O ATOM 0 H GLY A 85 -11.531 30.124 -5.929 1.00 42.55 H new ATOM 0 HA2 GLY A 85 -13.260 31.082 -4.465 1.00 4.34 H new ATOM 0 HA3 GLY A 85 -14.396 29.942 -5.160 1.00 4.34 H new ATOM 1310 N TYR A 86 -13.919 28.673 -3.010 1.00 23.33 N ATOM 1311 CA TYR A 86 -13.670 27.695 -1.956 1.00 65.14 C ATOM 1312 C TYR A 86 -13.674 26.276 -2.518 1.00 2.51 C ATOM 1313 O TYR A 86 -14.659 25.832 -3.109 1.00 65.03 O ATOM 1314 CB TYR A 86 -14.723 27.821 -0.854 1.00 4.30 C ATOM 1315 CG TYR A 86 -14.660 29.132 -0.104 1.00 4.34 C ATOM 1316 CD1 TYR A 86 -13.532 29.483 0.628 1.00 63.23 C ATOM 1317 CD2 TYR A 86 -15.727 30.021 -0.127 1.00 50.51 C ATOM 1318 CE1 TYR A 86 -13.469 30.679 1.316 1.00 54.54 C ATOM 1319 CE2 TYR A 86 -15.674 31.220 0.556 1.00 41.15 C ATOM 1320 CZ TYR A 86 -14.543 31.545 1.276 1.00 52.32 C ATOM 1321 OH TYR A 86 -14.484 32.739 1.959 1.00 74.05 O ATOM 0 H TYR A 86 -14.876 29.023 -3.043 1.00 23.33 H new ATOM 0 HA TYR A 86 -12.686 27.897 -1.533 1.00 65.14 H new ATOM 0 HB2 TYR A 86 -15.714 27.712 -1.295 1.00 4.30 H new ATOM 0 HB3 TYR A 86 -14.597 27.001 -0.147 1.00 4.30 H new ATOM 0 HD1 TYR A 86 -12.689 28.808 0.659 1.00 63.23 H new ATOM 0 HD2 TYR A 86 -16.614 29.770 -0.689 1.00 50.51 H new ATOM 0 HE1 TYR A 86 -12.585 30.935 1.882 1.00 54.54 H new ATOM 0 HE2 TYR A 86 -16.513 31.899 0.527 1.00 41.15 H new ATOM 0 HH TYR A 86 -15.320 33.233 1.828 1.00 74.05 H new ATOM 1331 N HIS A 87 -12.564 25.569 -2.329 1.00 12.10 N ATOM 1332 CA HIS A 87 -12.438 24.199 -2.815 1.00 11.12 C ATOM 1333 C HIS A 87 -12.694 23.198 -1.692 1.00 42.22 C ATOM 1334 O HIS A 87 -12.034 23.236 -0.653 1.00 4.24 O ATOM 1335 CB HIS A 87 -11.048 23.972 -3.409 1.00 51.22 C ATOM 1336 CG HIS A 87 -10.845 24.647 -4.731 1.00 65.44 C ATOM 1337 ND1 HIS A 87 -11.041 24.011 -5.939 1.00 25.12 N ATOM 1338 CD2 HIS A 87 -10.462 25.910 -5.031 1.00 41.53 C ATOM 1339 CE1 HIS A 87 -10.786 24.853 -6.924 1.00 70.41 C ATOM 1340 NE2 HIS A 87 -10.433 26.013 -6.400 1.00 41.12 N ATOM 0 H HIS A 87 -11.739 25.922 -1.843 1.00 12.10 H new ATOM 0 HA HIS A 87 -13.187 24.045 -3.592 1.00 11.12 H new ATOM 0 HB2 HIS A 87 -10.298 24.334 -2.706 1.00 51.22 H new ATOM 0 HB3 HIS A 87 -10.883 22.901 -3.528 1.00 51.22 H new ATOM 0 HD1 HIS A 87 -11.337 23.042 -6.054 1.00 25.12 H new ATOM 0 HD2 HIS A 87 -10.224 26.692 -4.325 1.00 41.53 H new ATOM 0 HE1 HIS A 87 -10.854 24.631 -7.979 1.00 70.41 H new ATOM 1348 N ILE A 88 -13.654 22.306 -1.908 1.00 2.22 N ATOM 1349 CA ILE A 88 -13.995 21.296 -0.915 1.00 30.34 C ATOM 1350 C ILE A 88 -13.637 19.897 -1.406 1.00 53.33 C ATOM 1351 O ILE A 88 -14.477 19.191 -1.964 1.00 53.55 O ATOM 1352 CB ILE A 88 -15.494 21.336 -0.562 1.00 51.13 C ATOM 1353 CG1 ILE A 88 -15.870 22.706 0.006 1.00 25.01 C ATOM 1354 CG2 ILE A 88 -15.835 20.234 0.429 1.00 35.01 C ATOM 1355 CD1 ILE A 88 -15.208 23.013 1.332 1.00 73.33 C ATOM 0 H ILE A 88 -14.210 22.262 -2.762 1.00 2.22 H new ATOM 0 HA ILE A 88 -13.413 21.524 -0.022 1.00 30.34 H new ATOM 0 HB ILE A 88 -16.071 21.170 -1.472 1.00 51.13 H new ATOM 0 HG12 ILE A 88 -15.596 23.477 -0.715 1.00 25.01 H new ATOM 0 HG13 ILE A 88 -16.952 22.755 0.129 1.00 25.01 H new ATOM 0 HG21 ILE A 88 -16.898 20.276 0.668 1.00 35.01 H new ATOM 0 HG22 ILE A 88 -15.600 19.264 -0.010 1.00 35.01 H new ATOM 0 HG23 ILE A 88 -15.252 20.371 1.340 1.00 35.01 H new ATOM 0 HD11 ILE A 88 -15.520 24.000 1.675 1.00 73.33 H new ATOM 0 HD12 ILE A 88 -15.502 22.264 2.067 1.00 73.33 H new ATOM 0 HD13 ILE A 88 -14.125 22.997 1.210 1.00 73.33 H new ATOM 1367 N ILE A 89 -12.386 19.504 -1.195 1.00 12.14 N ATOM 1368 CA ILE A 89 -11.919 18.188 -1.614 1.00 5.20 C ATOM 1369 C ILE A 89 -12.312 17.116 -0.603 1.00 54.54 C ATOM 1370 O ILE A 89 -12.182 17.310 0.606 1.00 24.30 O ATOM 1371 CB ILE A 89 -10.390 18.168 -1.798 1.00 21.41 C ATOM 1372 CG1 ILE A 89 -9.932 19.393 -2.591 1.00 72.12 C ATOM 1373 CG2 ILE A 89 -9.958 16.886 -2.497 1.00 53.43 C ATOM 1374 CD1 ILE A 89 -9.203 20.418 -1.752 1.00 22.23 C ATOM 0 H ILE A 89 -11.678 20.077 -0.737 1.00 12.14 H new ATOM 0 HA ILE A 89 -12.396 17.973 -2.570 1.00 5.20 H new ATOM 0 HB ILE A 89 -9.921 18.200 -0.815 1.00 21.41 H new ATOM 0 HG12 ILE A 89 -9.279 19.068 -3.401 1.00 72.12 H new ATOM 0 HG13 ILE A 89 -10.801 19.864 -3.051 1.00 72.12 H new ATOM 0 HG21 ILE A 89 -8.875 16.886 -2.620 1.00 53.43 H new ATOM 0 HG22 ILE A 89 -10.255 16.026 -1.896 1.00 53.43 H new ATOM 0 HG23 ILE A 89 -10.434 16.827 -3.476 1.00 53.43 H new ATOM 0 HD11 ILE A 89 -8.908 21.259 -2.380 1.00 22.23 H new ATOM 0 HD12 ILE A 89 -9.860 20.772 -0.957 1.00 22.23 H new ATOM 0 HD13 ILE A 89 -8.315 19.964 -1.313 1.00 22.23 H new ATOM 1386 N LYS A 90 -12.795 15.985 -1.106 1.00 43.22 N ATOM 1387 CA LYS A 90 -13.205 14.880 -0.249 1.00 1.14 C ATOM 1388 C LYS A 90 -12.716 13.547 -0.806 1.00 44.43 C ATOM 1389 O LYS A 90 -13.068 13.163 -1.922 1.00 12.53 O ATOM 1390 CB LYS A 90 -14.729 14.856 -0.107 1.00 11.34 C ATOM 1391 CG LYS A 90 -15.239 13.741 0.789 1.00 60.43 C ATOM 1392 CD LYS A 90 -16.754 13.635 0.740 1.00 71.32 C ATOM 1393 CE LYS A 90 -17.248 12.381 1.446 1.00 1.52 C ATOM 1394 NZ LYS A 90 -18.733 12.277 1.415 1.00 12.50 N ATOM 0 H LYS A 90 -12.912 15.810 -2.104 1.00 43.22 H new ATOM 0 HA LYS A 90 -12.756 15.030 0.733 1.00 1.14 H new ATOM 0 HB2 LYS A 90 -15.063 15.813 0.293 1.00 11.34 H new ATOM 0 HB3 LYS A 90 -15.176 14.750 -1.095 1.00 11.34 H new ATOM 0 HG2 LYS A 90 -14.797 12.794 0.480 1.00 60.43 H new ATOM 0 HG3 LYS A 90 -14.919 13.922 1.815 1.00 60.43 H new ATOM 0 HD2 LYS A 90 -17.197 14.515 1.207 1.00 71.32 H new ATOM 0 HD3 LYS A 90 -17.086 13.624 -0.298 1.00 71.32 H new ATOM 0 HE2 LYS A 90 -16.812 11.502 0.972 1.00 1.52 H new ATOM 0 HE3 LYS A 90 -16.906 12.388 2.481 1.00 1.52 H new ATOM 0 HZ1 LYS A 90 -19.079 11.975 2.348 1.00 12.50 H new ATOM 0 HZ2 LYS A 90 -19.141 13.204 1.178 1.00 12.50 H new ATOM 0 HZ3 LYS A 90 -19.017 11.580 0.697 1.00 12.50 H new ATOM 1408 N ARG A 91 -11.902 12.846 -0.024 1.00 13.54 N ATOM 1409 CA ARG A 91 -11.365 11.557 -0.440 1.00 23.00 C ATOM 1410 C ARG A 91 -12.472 10.513 -0.539 1.00 72.42 C ATOM 1411 O ARG A 91 -13.418 10.519 0.249 1.00 55.54 O ATOM 1412 CB ARG A 91 -10.291 11.086 0.543 1.00 60.22 C ATOM 1413 CG ARG A 91 -9.650 9.763 0.157 1.00 44.23 C ATOM 1414 CD ARG A 91 -8.291 9.590 0.817 1.00 21.11 C ATOM 1415 NE ARG A 91 -7.866 8.193 0.836 1.00 34.34 N ATOM 1416 CZ ARG A 91 -6.603 7.810 0.988 1.00 31.45 C ATOM 1417 NH1 ARG A 91 -5.646 8.715 1.134 1.00 42.11 N ATOM 1418 NH2 ARG A 91 -6.296 6.519 0.996 1.00 53.10 N ATOM 0 H ARG A 91 -11.600 13.150 0.902 1.00 13.54 H new ATOM 0 HA ARG A 91 -10.916 11.680 -1.426 1.00 23.00 H new ATOM 0 HB2 ARG A 91 -9.516 11.849 0.614 1.00 60.22 H new ATOM 0 HB3 ARG A 91 -10.735 10.990 1.534 1.00 60.22 H new ATOM 0 HG2 ARG A 91 -10.305 8.941 0.448 1.00 44.23 H new ATOM 0 HG3 ARG A 91 -9.539 9.713 -0.926 1.00 44.23 H new ATOM 0 HD2 ARG A 91 -7.551 10.187 0.284 1.00 21.11 H new ATOM 0 HD3 ARG A 91 -8.333 9.970 1.838 1.00 21.11 H new ATOM 0 HE ARG A 91 -8.578 7.471 0.726 1.00 34.34 H new ATOM 0 HH11 ARG A 91 -5.878 9.708 1.130 1.00 42.11 H new ATOM 0 HH12 ARG A 91 -4.677 8.418 1.251 1.00 42.11 H new ATOM 0 HH21 ARG A 91 -7.030 5.820 0.885 1.00 53.10 H new ATOM 0 HH22 ARG A 91 -5.326 6.226 1.113 1.00 53.10 H new ATOM 1432 N PHE A 92 -12.349 9.616 -1.512 1.00 43.52 N ATOM 1433 CA PHE A 92 -13.340 8.566 -1.716 1.00 51.12 C ATOM 1434 C PHE A 92 -12.686 7.187 -1.686 1.00 53.32 C ATOM 1435 O PHE A 92 -13.284 6.215 -1.229 1.00 23.20 O ATOM 1436 CB PHE A 92 -14.065 8.770 -3.047 1.00 51.41 C ATOM 1437 CG PHE A 92 -15.294 9.627 -2.936 1.00 11.24 C ATOM 1438 CD1 PHE A 92 -15.218 10.904 -2.406 1.00 0.34 C ATOM 1439 CD2 PHE A 92 -16.525 9.154 -3.360 1.00 63.14 C ATOM 1440 CE1 PHE A 92 -16.347 11.695 -2.302 1.00 11.33 C ATOM 1441 CE2 PHE A 92 -17.657 9.940 -3.259 1.00 40.34 C ATOM 1442 CZ PHE A 92 -17.568 11.212 -2.728 1.00 61.43 C ATOM 0 H PHE A 92 -11.572 9.595 -2.172 1.00 43.52 H new ATOM 0 HA PHE A 92 -14.065 8.623 -0.904 1.00 51.12 H new ATOM 0 HB2 PHE A 92 -13.378 9.225 -3.760 1.00 51.41 H new ATOM 0 HB3 PHE A 92 -14.345 7.797 -3.451 1.00 51.41 H new ATOM 0 HD1 PHE A 92 -14.266 11.287 -2.070 1.00 0.34 H new ATOM 0 HD2 PHE A 92 -16.601 8.160 -3.774 1.00 63.14 H new ATOM 0 HE1 PHE A 92 -16.274 12.690 -1.888 1.00 11.33 H new ATOM 0 HE2 PHE A 92 -18.611 9.560 -3.595 1.00 40.34 H new ATOM 0 HZ PHE A 92 -18.452 11.827 -2.646 1.00 61.43 H new ATOM 1452 N GLY A 93 -11.452 7.113 -2.179 1.00 15.23 N ATOM 1453 CA GLY A 93 -10.738 5.850 -2.201 1.00 1.50 C ATOM 1454 C GLY A 93 -11.554 4.733 -2.817 1.00 61.02 C ATOM 1455 O GLY A 93 -11.063 3.993 -3.670 1.00 4.43 O ATOM 0 H GLY A 93 -10.936 7.904 -2.563 1.00 15.23 H new ATOM 0 HA2 GLY A 93 -9.811 5.970 -2.762 1.00 1.50 H new ATOM 0 HA3 GLY A 93 -10.462 5.575 -1.183 1.00 1.50 H new TER 1459 GLY A 93