USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 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 177:sc= -0.723 USER MOD Set 1.2: A 87 HIS : no HE2:sc= -8.1! C(o=-8.8!,f=-10!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= -0.139 USER MOD Set 3.1: A 10 HIS :FLIP no HE2:sc= -2.1! C(o=-7.2!,f=-1.8!) USER MOD Set 3.2: A 45 SER OG : rot -96:sc= 0.297 USER MOD Single : A 1 GLY N :NH3+ -124:sc= -0.577 (180deg=-2.34!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -116:sc= 0.204 (180deg=-0.161) USER MOD Single : A 8 CYS SG : rot -134:sc= -2.78! USER MOD Single : A 9 SER OG : rot 113:sc= 1.34 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00299 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.3!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -171:sc= -1.18 (180deg=-1.45) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -161:sc= 0 (180deg=-0.449) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00212) USER MOD Single : A 40 SER OG : rot -41:sc= -1.51 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+ -151:sc= 0 (180deg=-0.468) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.323 F(o=-1.7,f=-0.32) USER MOD Single : A 51 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.11) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= -0.151 (180deg=-0.911) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) 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 K(o=0,f=-0.72) USER MOD Single : A 77 SER OG : rot -130:sc= -1.14 USER MOD Single : A 90 LYS NZ :NH3+ -158:sc= -0.08 (180deg=-0.379) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.643 7.942 -0.439 1.00 52.34 N ATOM 2 CA GLY A 1 2.001 7.538 -0.129 1.00 35.22 C ATOM 3 C GLY A 1 2.451 6.344 -0.948 1.00 11.04 C ATOM 4 O GLY A 1 3.283 6.459 -1.847 1.00 2.02 O ATOM 0 H1 GLY A 1 0.634 8.943 -0.720 1.00 52.34 H new ATOM 0 H2 GLY A 1 0.277 7.360 -1.219 1.00 52.34 H new ATOM 0 H3 GLY A 1 0.042 7.813 0.400 1.00 52.34 H new ATOM 0 HA2 GLY A 1 2.676 8.374 -0.310 1.00 35.22 H new ATOM 0 HA3 GLY A 1 2.072 7.295 0.931 1.00 35.22 H new ATOM 8 N PRO A 2 1.894 5.164 -0.635 1.00 1.30 N ATOM 9 CA PRO A 2 2.230 3.921 -1.336 1.00 74.41 C ATOM 10 C PRO A 2 1.703 3.901 -2.767 1.00 54.25 C ATOM 11 O PRO A 2 2.160 3.115 -3.597 1.00 0.20 O ATOM 12 CB PRO A 2 1.537 2.844 -0.498 1.00 22.54 C ATOM 13 CG PRO A 2 0.412 3.551 0.175 1.00 40.41 C ATOM 14 CD PRO A 2 0.895 4.953 0.425 1.00 22.22 C ATOM 0 HA PRO A 2 3.307 3.784 -1.428 1.00 74.41 H new ATOM 0 HB2 PRO A 2 1.174 2.029 -1.124 1.00 22.54 H new ATOM 0 HB3 PRO A 2 2.221 2.407 0.229 1.00 22.54 H new ATOM 0 HG2 PRO A 2 -0.480 3.551 -0.452 1.00 40.41 H new ATOM 0 HG3 PRO A 2 0.144 3.058 1.110 1.00 40.41 H new ATOM 0 HD2 PRO A 2 0.082 5.676 0.360 1.00 22.22 H new ATOM 0 HD3 PRO A 2 1.334 5.056 1.417 1.00 22.22 H new ATOM 22 N SER A 3 0.739 4.772 -3.049 1.00 13.40 N ATOM 23 CA SER A 3 0.148 4.853 -4.380 1.00 54.12 C ATOM 24 C SER A 3 0.493 6.180 -5.049 1.00 42.31 C ATOM 25 O SER A 3 0.921 7.126 -4.390 1.00 1.02 O ATOM 26 CB SER A 3 -1.371 4.691 -4.296 1.00 55.24 C ATOM 27 OG SER A 3 -1.894 5.359 -3.161 1.00 20.41 O ATOM 0 H SER A 3 0.351 5.431 -2.374 1.00 13.40 H new ATOM 0 HA SER A 3 0.561 4.045 -4.984 1.00 54.12 H new ATOM 0 HB2 SER A 3 -1.833 5.088 -5.200 1.00 55.24 H new ATOM 0 HB3 SER A 3 -1.625 3.632 -4.247 1.00 55.24 H new ATOM 0 HG SER A 3 -2.866 5.241 -3.132 1.00 20.41 H new ATOM 33 N ASN A 4 0.304 6.240 -6.363 1.00 64.43 N ATOM 34 CA ASN A 4 0.597 7.450 -7.123 1.00 32.43 C ATOM 35 C ASN A 4 -0.640 8.338 -7.227 1.00 44.13 C ATOM 36 O ASN A 4 -0.539 9.566 -7.207 1.00 72.23 O ATOM 37 CB ASN A 4 1.099 7.090 -8.522 1.00 33.33 C ATOM 38 CG ASN A 4 1.388 8.315 -9.366 1.00 55.43 C ATOM 39 OD1 ASN A 4 0.739 8.548 -10.386 1.00 14.02 O ATOM 40 ND2 ASN A 4 2.367 9.108 -8.944 1.00 62.41 N ATOM 0 H ASN A 4 -0.051 5.465 -6.924 1.00 64.43 H new ATOM 0 HA ASN A 4 1.376 8.001 -6.596 1.00 32.43 H new ATOM 0 HB2 ASN A 4 2.005 6.489 -8.437 1.00 33.33 H new ATOM 0 HB3 ASN A 4 0.354 6.473 -9.025 1.00 33.33 H new ATOM 0 HD21 ASN A 4 2.606 9.948 -9.471 1.00 62.41 H new ATOM 0 HD22 ASN A 4 2.879 8.877 -8.093 1.00 62.41 H new ATOM 47 N LYS A 5 -1.805 7.710 -7.338 1.00 2.14 N ATOM 48 CA LYS A 5 -3.061 8.443 -7.443 1.00 75.33 C ATOM 49 C LYS A 5 -4.048 7.987 -6.372 1.00 14.50 C ATOM 50 O LYS A 5 -3.888 6.918 -5.783 1.00 53.43 O ATOM 51 CB LYS A 5 -3.675 8.246 -8.832 1.00 44.23 C ATOM 52 CG LYS A 5 -3.269 6.943 -9.498 1.00 31.23 C ATOM 53 CD LYS A 5 -3.892 6.803 -10.877 1.00 31.43 C ATOM 54 CE LYS A 5 -3.074 7.530 -11.934 1.00 22.44 C ATOM 55 NZ LYS A 5 -3.737 7.498 -13.267 1.00 15.44 N ATOM 0 H LYS A 5 -1.906 6.695 -7.358 1.00 2.14 H new ATOM 0 HA LYS A 5 -2.849 9.501 -7.291 1.00 75.33 H new ATOM 0 HB2 LYS A 5 -4.761 8.278 -8.748 1.00 44.23 H new ATOM 0 HB3 LYS A 5 -3.380 9.078 -9.471 1.00 44.23 H new ATOM 0 HG2 LYS A 5 -2.183 6.900 -9.582 1.00 31.23 H new ATOM 0 HG3 LYS A 5 -3.574 6.104 -8.873 1.00 31.23 H new ATOM 0 HD2 LYS A 5 -3.969 5.747 -11.137 1.00 31.43 H new ATOM 0 HD3 LYS A 5 -4.906 7.202 -10.862 1.00 31.43 H new ATOM 0 HE2 LYS A 5 -2.923 8.565 -11.628 1.00 22.44 H new ATOM 0 HE3 LYS A 5 -2.087 7.073 -12.008 1.00 22.44 H new ATOM 0 HZ1 LYS A 5 -3.149 8.004 -13.960 1.00 15.44 H new ATOM 0 HZ2 LYS A 5 -3.858 6.511 -13.571 1.00 15.44 H new ATOM 0 HZ3 LYS A 5 -4.668 7.957 -13.203 1.00 15.44 H new ATOM 69 N ILE A 6 -5.067 8.805 -6.127 1.00 4.22 N ATOM 70 CA ILE A 6 -6.079 8.485 -5.129 1.00 20.44 C ATOM 71 C ILE A 6 -7.422 9.110 -5.488 1.00 73.45 C ATOM 72 O ILE A 6 -7.481 10.128 -6.178 1.00 75.22 O ATOM 73 CB ILE A 6 -5.660 8.966 -3.727 1.00 71.14 C ATOM 74 CG1 ILE A 6 -5.413 10.475 -3.735 1.00 55.52 C ATOM 75 CG2 ILE A 6 -4.417 8.223 -3.262 1.00 23.11 C ATOM 76 CD1 ILE A 6 -5.706 11.143 -2.410 1.00 1.33 C ATOM 0 H ILE A 6 -5.213 9.694 -6.606 1.00 4.22 H new ATOM 0 HA ILE A 6 -6.178 7.400 -5.117 1.00 20.44 H new ATOM 0 HB ILE A 6 -6.469 8.753 -3.029 1.00 71.14 H new ATOM 0 HG12 ILE A 6 -4.374 10.663 -4.006 1.00 55.52 H new ATOM 0 HG13 ILE A 6 -6.031 10.932 -4.508 1.00 55.52 H new ATOM 0 HG21 ILE A 6 -4.133 8.574 -2.270 1.00 23.11 H new ATOM 0 HG22 ILE A 6 -4.625 7.154 -3.223 1.00 23.11 H new ATOM 0 HG23 ILE A 6 -3.600 8.408 -3.960 1.00 23.11 H new ATOM 0 HD11 ILE A 6 -5.509 12.212 -2.490 1.00 1.33 H new ATOM 0 HD12 ILE A 6 -6.752 10.986 -2.147 1.00 1.33 H new ATOM 0 HD13 ILE A 6 -5.069 10.713 -1.637 1.00 1.33 H new ATOM 88 N LYS A 7 -8.501 8.495 -5.014 1.00 74.23 N ATOM 89 CA LYS A 7 -9.846 8.992 -5.282 1.00 63.42 C ATOM 90 C LYS A 7 -10.151 10.219 -4.430 1.00 61.13 C ATOM 91 O LYS A 7 -9.718 10.313 -3.282 1.00 32.21 O ATOM 92 CB LYS A 7 -10.879 7.897 -5.008 1.00 71.41 C ATOM 93 CG LYS A 7 -11.765 7.586 -6.202 1.00 35.02 C ATOM 94 CD LYS A 7 -13.098 6.996 -5.768 1.00 61.24 C ATOM 95 CE LYS A 7 -14.267 7.829 -6.272 1.00 63.15 C ATOM 96 NZ LYS A 7 -15.575 7.187 -5.970 1.00 33.20 N ATOM 0 H LYS A 7 -8.470 7.651 -4.442 1.00 74.23 H new ATOM 0 HA LYS A 7 -9.899 9.279 -6.332 1.00 63.42 H new ATOM 0 HB2 LYS A 7 -10.361 6.988 -4.704 1.00 71.41 H new ATOM 0 HB3 LYS A 7 -11.506 8.202 -4.170 1.00 71.41 H new ATOM 0 HG2 LYS A 7 -11.938 8.497 -6.775 1.00 35.02 H new ATOM 0 HG3 LYS A 7 -11.254 6.886 -6.863 1.00 35.02 H new ATOM 0 HD2 LYS A 7 -13.186 5.977 -6.146 1.00 61.24 H new ATOM 0 HD3 LYS A 7 -13.134 6.937 -4.680 1.00 61.24 H new ATOM 0 HE2 LYS A 7 -14.233 8.817 -5.814 1.00 63.15 H new ATOM 0 HE3 LYS A 7 -14.173 7.973 -7.348 1.00 63.15 H new ATOM 0 HZ1 LYS A 7 -16.054 6.940 -6.859 1.00 33.20 H new ATOM 0 HZ2 LYS A 7 -15.417 6.324 -5.411 1.00 33.20 H new ATOM 0 HZ3 LYS A 7 -16.169 7.847 -5.428 1.00 33.20 H new ATOM 110 N CYS A 8 -10.901 11.157 -5.000 1.00 41.21 N ATOM 111 CA CYS A 8 -11.265 12.379 -4.292 1.00 31.32 C ATOM 112 C CYS A 8 -12.206 13.234 -5.134 1.00 3.42 C ATOM 113 O CYS A 8 -12.276 13.082 -6.353 1.00 31.12 O ATOM 114 CB CYS A 8 -10.011 13.179 -3.934 1.00 72.04 C ATOM 115 SG CYS A 8 -9.010 13.660 -5.361 1.00 21.31 S ATOM 0 H CYS A 8 -11.268 11.094 -5.950 1.00 41.21 H new ATOM 0 HA CYS A 8 -11.781 12.098 -3.374 1.00 31.32 H new ATOM 0 HB2 CYS A 8 -10.308 14.077 -3.393 1.00 72.04 H new ATOM 0 HB3 CYS A 8 -9.397 12.587 -3.256 1.00 72.04 H new ATOM 0 HG CYS A 8 -7.758 13.407 -5.118 1.00 21.31 H new ATOM 121 N SER A 9 -12.928 14.135 -4.475 1.00 35.32 N ATOM 122 CA SER A 9 -13.869 15.011 -5.162 1.00 11.44 C ATOM 123 C SER A 9 -13.478 16.475 -4.983 1.00 42.21 C ATOM 124 O SER A 9 -12.374 16.784 -4.532 1.00 55.22 O ATOM 125 CB SER A 9 -15.288 14.784 -4.635 1.00 15.51 C ATOM 126 OG SER A 9 -15.629 13.409 -4.665 1.00 2.10 O ATOM 0 H SER A 9 -12.879 14.277 -3.466 1.00 35.32 H new ATOM 0 HA SER A 9 -13.840 14.771 -6.225 1.00 11.44 H new ATOM 0 HB2 SER A 9 -15.365 15.159 -3.614 1.00 15.51 H new ATOM 0 HB3 SER A 9 -15.998 15.351 -5.237 1.00 15.51 H new ATOM 0 HG SER A 9 -15.729 13.077 -3.749 1.00 2.10 H new ATOM 132 N HIS A 10 -14.389 17.373 -5.341 1.00 53.22 N ATOM 133 CA HIS A 10 -14.140 18.805 -5.221 1.00 53.22 C ATOM 134 C HIS A 10 -15.406 19.604 -5.518 1.00 74.43 C ATOM 135 O HIS A 10 -16.224 19.203 -6.347 1.00 41.25 O ATOM 136 CB HIS A 10 -13.021 19.231 -6.170 1.00 41.52 C ATOM 137 CG HIS A 10 -13.292 18.897 -7.605 1.00 25.31 C ATOM 138 ND1 HIS A 10 -13.499 17.705 -8.212 1.00 32.00 N flip ATOM 139 CD2 HIS A 10 -13.372 19.849 -8.598 1.00 60.23 C flip ATOM 140 CE1 HIS A 10 -13.701 17.956 -9.547 1.00 42.42 C flip ATOM 141 NE2 HIS A 10 -13.619 19.258 -9.753 1.00 2.41 N flip ATOM 0 H HIS A 10 -15.307 17.135 -5.717 1.00 53.22 H new ATOM 0 HA HIS A 10 -13.834 19.010 -4.195 1.00 53.22 H new ATOM 0 HB2 HIS A 10 -12.868 20.306 -6.079 1.00 41.52 H new ATOM 0 HB3 HIS A 10 -12.092 18.750 -5.863 1.00 41.52 H new ATOM 0 HD1 HIS A 10 -13.504 16.790 -7.761 1.00 32.00 H new ATOM 0 HD2 HIS A 10 -13.252 20.913 -8.454 1.00 60.23 H new ATOM 0 HE1 HIS A 10 -13.895 17.211 -10.304 1.00 42.42 H new ATOM 149 N ILE A 11 -15.562 20.733 -4.837 1.00 45.41 N ATOM 150 CA ILE A 11 -16.727 21.587 -5.029 1.00 12.44 C ATOM 151 C ILE A 11 -16.360 23.059 -4.880 1.00 53.54 C ATOM 152 O ILE A 11 -15.715 23.455 -3.908 1.00 52.13 O ATOM 153 CB ILE A 11 -17.846 21.245 -4.027 1.00 52.44 C ATOM 154 CG1 ILE A 11 -18.352 19.819 -4.261 1.00 44.53 C ATOM 155 CG2 ILE A 11 -18.988 22.244 -4.147 1.00 71.22 C ATOM 156 CD1 ILE A 11 -19.328 19.345 -3.209 1.00 32.34 C ATOM 0 H ILE A 11 -14.896 21.078 -4.146 1.00 45.41 H new ATOM 0 HA ILE A 11 -17.088 21.406 -6.041 1.00 12.44 H new ATOM 0 HB ILE A 11 -17.440 21.306 -3.017 1.00 52.44 H new ATOM 0 HG12 ILE A 11 -18.831 19.768 -5.239 1.00 44.53 H new ATOM 0 HG13 ILE A 11 -17.500 19.139 -4.287 1.00 44.53 H new ATOM 0 HG21 ILE A 11 -19.771 21.989 -3.433 1.00 71.22 H new ATOM 0 HG22 ILE A 11 -18.617 23.247 -3.937 1.00 71.22 H new ATOM 0 HG23 ILE A 11 -19.395 22.212 -5.158 1.00 71.22 H new ATOM 0 HD11 ILE A 11 -19.644 18.327 -3.438 1.00 32.34 H new ATOM 0 HD12 ILE A 11 -18.847 19.364 -2.231 1.00 32.34 H new ATOM 0 HD13 ILE A 11 -20.198 20.002 -3.198 1.00 32.34 H new ATOM 168 N LEU A 12 -16.778 23.868 -5.848 1.00 42.35 N ATOM 169 CA LEU A 12 -16.496 25.299 -5.826 1.00 25.43 C ATOM 170 C LEU A 12 -17.757 26.098 -5.514 1.00 5.21 C ATOM 171 O LEU A 12 -18.813 25.863 -6.101 1.00 14.23 O ATOM 172 CB LEU A 12 -15.914 25.745 -7.168 1.00 5.20 C ATOM 173 CG LEU A 12 -14.393 25.660 -7.302 1.00 32.13 C ATOM 174 CD1 LEU A 12 -13.715 26.512 -6.239 1.00 63.25 C ATOM 175 CD2 LEU A 12 -13.929 24.214 -7.204 1.00 50.45 C ATOM 0 H LEU A 12 -17.314 23.557 -6.658 1.00 42.35 H new ATOM 0 HA LEU A 12 -15.765 25.488 -5.040 1.00 25.43 H new ATOM 0 HB2 LEU A 12 -16.362 25.139 -7.955 1.00 5.20 H new ATOM 0 HB3 LEU A 12 -16.217 26.776 -7.348 1.00 5.20 H new ATOM 0 HG LEU A 12 -14.112 26.046 -8.282 1.00 32.13 H new ATOM 0 HD11 LEU A 12 -12.633 26.439 -6.350 1.00 63.25 H new ATOM 0 HD12 LEU A 12 -14.023 27.551 -6.355 1.00 63.25 H new ATOM 0 HD13 LEU A 12 -14.003 26.157 -5.250 1.00 63.25 H new ATOM 0 HD21 LEU A 12 -12.844 24.173 -7.301 1.00 50.45 H new ATOM 0 HD22 LEU A 12 -14.223 23.802 -6.238 1.00 50.45 H new ATOM 0 HD23 LEU A 12 -14.388 23.630 -8.002 1.00 50.45 H new ATOM 187 N VAL A 13 -17.638 27.045 -4.588 1.00 13.10 N ATOM 188 CA VAL A 13 -18.768 27.881 -4.201 1.00 51.55 C ATOM 189 C VAL A 13 -18.384 29.357 -4.200 1.00 44.22 C ATOM 190 O VAL A 13 -17.269 29.718 -4.575 1.00 50.55 O ATOM 191 CB VAL A 13 -19.297 27.499 -2.806 1.00 71.02 C ATOM 192 CG1 VAL A 13 -19.764 26.051 -2.789 1.00 44.34 C ATOM 193 CG2 VAL A 13 -18.229 27.736 -1.748 1.00 61.04 C ATOM 0 H VAL A 13 -16.771 27.252 -4.092 1.00 13.10 H new ATOM 0 HA VAL A 13 -19.553 27.713 -4.938 1.00 51.55 H new ATOM 0 HB VAL A 13 -20.152 28.134 -2.575 1.00 71.02 H new ATOM 0 HG11 VAL A 13 -20.134 25.800 -1.795 1.00 44.34 H new ATOM 0 HG12 VAL A 13 -20.563 25.918 -3.518 1.00 44.34 H new ATOM 0 HG13 VAL A 13 -18.930 25.397 -3.042 1.00 44.34 H new ATOM 0 HG21 VAL A 13 -18.620 27.461 -0.768 1.00 61.04 H new ATOM 0 HG22 VAL A 13 -17.353 27.128 -1.973 1.00 61.04 H new ATOM 0 HG23 VAL A 13 -17.948 28.789 -1.744 1.00 61.04 H new ATOM 203 N SER A 14 -19.315 30.204 -3.776 1.00 13.30 N ATOM 204 CA SER A 14 -19.076 31.642 -3.729 1.00 53.24 C ATOM 205 C SER A 14 -18.987 32.132 -2.287 1.00 70.35 C ATOM 206 O SER A 14 -18.381 33.166 -2.006 1.00 30.12 O ATOM 207 CB SER A 14 -20.189 32.390 -4.466 1.00 13.40 C ATOM 208 OG SER A 14 -21.453 31.798 -4.216 1.00 41.55 O ATOM 0 H SER A 14 -20.242 29.920 -3.460 1.00 13.30 H new ATOM 0 HA SER A 14 -18.125 31.843 -4.222 1.00 53.24 H new ATOM 0 HB2 SER A 14 -20.203 33.433 -4.149 1.00 13.40 H new ATOM 0 HB3 SER A 14 -19.987 32.386 -5.537 1.00 13.40 H new ATOM 0 HG SER A 14 -22.148 32.295 -4.696 1.00 41.55 H new ATOM 214 N LYS A 15 -19.596 31.380 -1.376 1.00 3.53 N ATOM 215 CA LYS A 15 -19.586 31.735 0.039 1.00 50.13 C ATOM 216 C LYS A 15 -19.220 30.530 0.899 1.00 62.15 C ATOM 217 O LYS A 15 -19.464 29.386 0.516 1.00 51.11 O ATOM 218 CB LYS A 15 -20.953 32.279 0.459 1.00 31.34 C ATOM 219 CG LYS A 15 -22.102 31.332 0.158 1.00 12.50 C ATOM 220 CD LYS A 15 -23.419 32.080 0.018 1.00 4.30 C ATOM 221 CE LYS A 15 -24.334 31.411 -0.996 1.00 23.03 C ATOM 222 NZ LYS A 15 -25.468 32.293 -1.386 1.00 42.41 N ATOM 0 H LYS A 15 -20.102 30.521 -1.592 1.00 3.53 H new ATOM 0 HA LYS A 15 -18.833 32.508 0.189 1.00 50.13 H new ATOM 0 HB2 LYS A 15 -20.938 32.491 1.528 1.00 31.34 H new ATOM 0 HB3 LYS A 15 -21.130 33.226 -0.051 1.00 31.34 H new ATOM 0 HG2 LYS A 15 -21.893 30.786 -0.762 1.00 12.50 H new ATOM 0 HG3 LYS A 15 -22.185 30.594 0.956 1.00 12.50 H new ATOM 0 HD2 LYS A 15 -23.918 32.125 0.986 1.00 4.30 H new ATOM 0 HD3 LYS A 15 -23.224 33.108 -0.288 1.00 4.30 H new ATOM 0 HE2 LYS A 15 -23.760 31.144 -1.883 1.00 23.03 H new ATOM 0 HE3 LYS A 15 -24.723 30.483 -0.577 1.00 23.03 H new ATOM 0 HZ1 LYS A 15 -26.068 31.801 -2.078 1.00 42.41 H new ATOM 0 HZ2 LYS A 15 -26.031 32.527 -0.544 1.00 42.41 H new ATOM 0 HZ3 LYS A 15 -25.098 33.168 -1.809 1.00 42.41 H new ATOM 236 N GLN A 16 -18.635 30.795 2.062 1.00 31.41 N ATOM 237 CA GLN A 16 -18.236 29.730 2.976 1.00 13.34 C ATOM 238 C GLN A 16 -19.453 28.962 3.480 1.00 73.31 C ATOM 239 O GLN A 16 -19.366 27.772 3.786 1.00 51.43 O ATOM 240 CB GLN A 16 -17.459 30.310 4.160 1.00 53.12 C ATOM 241 CG GLN A 16 -15.976 30.497 3.881 1.00 72.25 C ATOM 242 CD GLN A 16 -15.124 30.329 5.122 1.00 43.12 C ATOM 243 OE1 GLN A 16 -15.628 30.002 6.197 1.00 41.11 O ATOM 244 NE2 GLN A 16 -13.822 30.551 4.981 1.00 12.42 N ATOM 0 H GLN A 16 -18.427 31.737 2.394 1.00 31.41 H new ATOM 0 HA GLN A 16 -17.593 29.039 2.431 1.00 13.34 H new ATOM 0 HB2 GLN A 16 -17.893 31.272 4.433 1.00 53.12 H new ATOM 0 HB3 GLN A 16 -17.578 29.651 5.020 1.00 53.12 H new ATOM 0 HG2 GLN A 16 -15.658 29.777 3.127 1.00 72.25 H new ATOM 0 HG3 GLN A 16 -15.811 31.490 3.463 1.00 72.25 H new ATOM 0 HE21 GLN A 16 -13.446 30.820 4.072 1.00 12.42 H new ATOM 0 HE22 GLN A 16 -13.198 30.452 5.782 1.00 12.42 H new ATOM 253 N SER A 17 -20.588 29.648 3.565 1.00 13.51 N ATOM 254 CA SER A 17 -21.823 29.032 4.036 1.00 65.33 C ATOM 255 C SER A 17 -22.208 27.847 3.155 1.00 44.23 C ATOM 256 O SER A 17 -22.953 26.963 3.577 1.00 42.25 O ATOM 257 CB SER A 17 -22.957 30.058 4.054 1.00 5.54 C ATOM 258 OG SER A 17 -24.155 29.486 4.550 1.00 31.32 O ATOM 0 H SER A 17 -20.678 30.632 3.313 1.00 13.51 H new ATOM 0 HA SER A 17 -21.655 28.670 5.050 1.00 65.33 H new ATOM 0 HB2 SER A 17 -22.672 30.908 4.674 1.00 5.54 H new ATOM 0 HB3 SER A 17 -23.122 30.439 3.046 1.00 5.54 H new ATOM 0 HG SER A 17 -24.864 30.163 4.553 1.00 31.32 H new ATOM 264 N GLU A 18 -21.695 27.837 1.928 1.00 3.40 N ATOM 265 CA GLU A 18 -21.986 26.763 0.987 1.00 25.42 C ATOM 266 C GLU A 18 -20.883 25.707 1.010 1.00 74.04 C ATOM 267 O GLU A 18 -21.158 24.509 1.066 1.00 71.02 O ATOM 268 CB GLU A 18 -22.143 27.322 -0.428 1.00 44.23 C ATOM 269 CG GLU A 18 -23.311 28.282 -0.577 1.00 13.53 C ATOM 270 CD GLU A 18 -24.601 27.578 -0.949 1.00 61.01 C ATOM 271 OE1 GLU A 18 -25.180 26.898 -0.077 1.00 45.51 O ATOM 272 OE2 GLU A 18 -25.032 27.709 -2.114 1.00 62.01 O ATOM 0 H GLU A 18 -21.076 28.561 1.563 1.00 3.40 H new ATOM 0 HA GLU A 18 -22.922 26.293 1.289 1.00 25.42 H new ATOM 0 HB2 GLU A 18 -21.224 27.835 -0.711 1.00 44.23 H new ATOM 0 HB3 GLU A 18 -22.273 26.494 -1.124 1.00 44.23 H new ATOM 0 HG2 GLU A 18 -23.453 28.823 0.359 1.00 13.53 H new ATOM 0 HG3 GLU A 18 -23.073 29.023 -1.340 1.00 13.53 H new ATOM 279 N ALA A 19 -19.636 26.162 0.963 1.00 61.12 N ATOM 280 CA ALA A 19 -18.492 25.258 0.979 1.00 1.11 C ATOM 281 C ALA A 19 -18.425 24.481 2.290 1.00 41.42 C ATOM 282 O ALA A 19 -18.329 23.254 2.292 1.00 54.22 O ATOM 283 CB ALA A 19 -17.203 26.035 0.756 1.00 2.52 C ATOM 0 H ALA A 19 -19.392 27.151 0.914 1.00 61.12 H new ATOM 0 HA ALA A 19 -18.615 24.540 0.168 1.00 1.11 H new ATOM 0 HB1 ALA A 19 -16.357 25.348 0.770 1.00 2.52 H new ATOM 0 HB2 ALA A 19 -17.245 26.539 -0.209 1.00 2.52 H new ATOM 0 HB3 ALA A 19 -17.083 26.775 1.547 1.00 2.52 H new ATOM 289 N LEU A 20 -18.473 25.204 3.403 1.00 43.52 N ATOM 290 CA LEU A 20 -18.417 24.583 4.721 1.00 25.14 C ATOM 291 C LEU A 20 -19.693 23.799 5.009 1.00 23.21 C ATOM 292 O LEU A 20 -19.737 22.981 5.927 1.00 25.12 O ATOM 293 CB LEU A 20 -18.204 25.647 5.801 1.00 64.25 C ATOM 294 CG LEU A 20 -17.440 25.196 7.047 1.00 51.21 C ATOM 295 CD1 LEU A 20 -15.940 25.260 6.806 1.00 74.01 C ATOM 296 CD2 LEU A 20 -17.827 26.048 8.246 1.00 51.33 C ATOM 0 H LEU A 20 -18.551 26.221 3.419 1.00 43.52 H new ATOM 0 HA LEU A 20 -17.576 23.890 4.732 1.00 25.14 H new ATOM 0 HB2 LEU A 20 -17.670 26.486 5.356 1.00 64.25 H new ATOM 0 HB3 LEU A 20 -19.180 26.020 6.113 1.00 64.25 H new ATOM 0 HG LEU A 20 -17.708 24.161 7.260 1.00 51.21 H new ATOM 0 HD11 LEU A 20 -15.413 24.936 7.703 1.00 74.01 H new ATOM 0 HD12 LEU A 20 -15.677 24.606 5.974 1.00 74.01 H new ATOM 0 HD13 LEU A 20 -15.653 26.284 6.567 1.00 74.01 H new ATOM 0 HD21 LEU A 20 -17.274 25.713 9.124 1.00 51.33 H new ATOM 0 HD22 LEU A 20 -17.588 27.092 8.043 1.00 51.33 H new ATOM 0 HD23 LEU A 20 -18.897 25.950 8.432 1.00 51.33 H new ATOM 308 N ALA A 21 -20.729 24.055 4.217 1.00 24.44 N ATOM 309 CA ALA A 21 -22.004 23.369 4.384 1.00 54.41 C ATOM 310 C ALA A 21 -21.899 21.904 3.976 1.00 14.11 C ATOM 311 O ALA A 21 -22.745 21.086 4.340 1.00 53.14 O ATOM 312 CB ALA A 21 -23.088 24.067 3.575 1.00 5.31 C ATOM 0 H ALA A 21 -20.710 24.732 3.454 1.00 24.44 H new ATOM 0 HA ALA A 21 -22.272 23.406 5.440 1.00 54.41 H new ATOM 0 HB1 ALA A 21 -24.035 23.544 3.709 1.00 5.31 H new ATOM 0 HB2 ALA A 21 -23.191 25.097 3.917 1.00 5.31 H new ATOM 0 HB3 ALA A 21 -22.816 24.060 2.520 1.00 5.31 H new ATOM 318 N ILE A 22 -20.856 21.579 3.220 1.00 31.30 N ATOM 319 CA ILE A 22 -20.640 20.212 2.764 1.00 34.40 C ATOM 320 C ILE A 22 -20.343 19.282 3.936 1.00 4.10 C ATOM 321 O ILE A 22 -20.490 18.065 3.827 1.00 32.02 O ATOM 322 CB ILE A 22 -19.482 20.131 1.753 1.00 4.40 C ATOM 323 CG1 ILE A 22 -19.739 21.072 0.574 1.00 5.32 C ATOM 324 CG2 ILE A 22 -19.300 18.701 1.267 1.00 34.21 C ATOM 325 CD1 ILE A 22 -21.037 20.791 -0.152 1.00 24.02 C ATOM 0 H ILE A 22 -20.147 22.244 2.910 1.00 31.30 H new ATOM 0 HA ILE A 22 -21.561 19.894 2.275 1.00 34.40 H new ATOM 0 HB ILE A 22 -18.564 20.444 2.250 1.00 4.40 H new ATOM 0 HG12 ILE A 22 -19.750 22.100 0.936 1.00 5.32 H new ATOM 0 HG13 ILE A 22 -18.912 20.991 -0.132 1.00 5.32 H new ATOM 0 HG21 ILE A 22 -18.477 18.661 0.553 1.00 34.21 H new ATOM 0 HG22 ILE A 22 -19.076 18.054 2.115 1.00 34.21 H new ATOM 0 HG23 ILE A 22 -20.216 18.361 0.784 1.00 34.21 H new ATOM 0 HD11 ILE A 22 -21.153 21.496 -0.975 1.00 24.02 H new ATOM 0 HD12 ILE A 22 -21.022 19.774 -0.544 1.00 24.02 H new ATOM 0 HD13 ILE A 22 -21.872 20.900 0.540 1.00 24.02 H new ATOM 337 N MET A 23 -19.926 19.864 5.055 1.00 71.23 N ATOM 338 CA MET A 23 -19.611 19.087 6.249 1.00 53.35 C ATOM 339 C MET A 23 -20.763 19.135 7.247 1.00 20.02 C ATOM 340 O MET A 23 -20.897 18.252 8.094 1.00 21.13 O ATOM 341 CB MET A 23 -18.331 19.612 6.902 1.00 42.35 C ATOM 342 CG MET A 23 -17.246 19.981 5.903 1.00 1.21 C ATOM 343 SD MET A 23 -15.679 20.388 6.698 1.00 33.30 S ATOM 344 CE MET A 23 -16.095 21.940 7.490 1.00 23.00 C ATOM 0 H MET A 23 -19.798 20.870 5.161 1.00 71.23 H new ATOM 0 HA MET A 23 -19.457 18.051 5.949 1.00 53.35 H new ATOM 0 HB2 MET A 23 -18.573 20.488 7.503 1.00 42.35 H new ATOM 0 HB3 MET A 23 -17.944 18.855 7.583 1.00 42.35 H new ATOM 0 HG2 MET A 23 -17.094 19.150 5.214 1.00 1.21 H new ATOM 0 HG3 MET A 23 -17.579 20.832 5.308 1.00 1.21 H new ATOM 0 HE1 MET A 23 -15.190 22.399 7.888 1.00 23.00 H new ATOM 0 HE2 MET A 23 -16.551 22.610 6.761 1.00 23.00 H new ATOM 0 HE3 MET A 23 -16.797 21.757 8.303 1.00 23.00 H new ATOM 354 N GLU A 24 -21.589 20.170 7.142 1.00 32.33 N ATOM 355 CA GLU A 24 -22.728 20.332 8.039 1.00 73.04 C ATOM 356 C GLU A 24 -23.966 19.639 7.475 1.00 21.10 C ATOM 357 O GLU A 24 -24.895 19.307 8.212 1.00 32.43 O ATOM 358 CB GLU A 24 -23.021 21.817 8.265 1.00 30.13 C ATOM 359 CG GLU A 24 -23.905 22.433 7.195 1.00 33.11 C ATOM 360 CD GLU A 24 -23.906 23.949 7.241 1.00 3.30 C ATOM 361 OE1 GLU A 24 -22.929 24.528 7.762 1.00 33.04 O ATOM 362 OE2 GLU A 24 -24.882 24.556 6.754 1.00 43.42 O ATOM 0 H GLU A 24 -21.492 20.909 6.446 1.00 32.33 H new ATOM 0 HA GLU A 24 -22.475 19.870 8.993 1.00 73.04 H new ATOM 0 HB2 GLU A 24 -23.501 21.940 9.236 1.00 30.13 H new ATOM 0 HB3 GLU A 24 -22.078 22.363 8.304 1.00 30.13 H new ATOM 0 HG2 GLU A 24 -23.565 22.103 6.213 1.00 33.11 H new ATOM 0 HG3 GLU A 24 -24.925 22.069 7.318 1.00 33.11 H new ATOM 369 N LYS A 25 -23.972 19.425 6.164 1.00 61.25 N ATOM 370 CA LYS A 25 -25.094 18.771 5.500 1.00 44.43 C ATOM 371 C LYS A 25 -24.883 17.262 5.435 1.00 14.14 C ATOM 372 O LYS A 25 -25.752 16.486 5.838 1.00 43.43 O ATOM 373 CB LYS A 25 -25.274 19.333 4.087 1.00 32.44 C ATOM 374 CG LYS A 25 -25.743 20.777 4.063 1.00 44.45 C ATOM 375 CD LYS A 25 -27.256 20.875 4.145 1.00 33.23 C ATOM 376 CE LYS A 25 -27.917 20.409 2.856 1.00 4.44 C ATOM 377 NZ LYS A 25 -29.379 20.686 2.851 1.00 52.24 N ATOM 0 H LYS A 25 -23.212 19.695 5.539 1.00 61.25 H new ATOM 0 HA LYS A 25 -25.994 18.969 6.081 1.00 44.43 H new ATOM 0 HB2 LYS A 25 -24.327 19.258 3.552 1.00 32.44 H new ATOM 0 HB3 LYS A 25 -25.994 18.717 3.549 1.00 32.44 H new ATOM 0 HG2 LYS A 25 -25.297 21.319 4.897 1.00 44.45 H new ATOM 0 HG3 LYS A 25 -25.396 21.258 3.148 1.00 44.45 H new ATOM 0 HD2 LYS A 25 -27.616 20.271 4.978 1.00 33.23 H new ATOM 0 HD3 LYS A 25 -27.544 21.906 4.350 1.00 33.23 H new ATOM 0 HE2 LYS A 25 -27.450 20.909 2.007 1.00 4.44 H new ATOM 0 HE3 LYS A 25 -27.750 19.340 2.728 1.00 4.44 H new ATOM 0 HZ1 LYS A 25 -29.792 20.354 1.956 1.00 52.24 H new ATOM 0 HZ2 LYS A 25 -29.829 20.189 3.646 1.00 52.24 H new ATOM 0 HZ3 LYS A 25 -29.539 21.709 2.947 1.00 52.24 H new ATOM 391 N LEU A 26 -23.726 16.852 4.929 1.00 73.34 N ATOM 392 CA LEU A 26 -23.401 15.434 4.813 1.00 52.45 C ATOM 393 C LEU A 26 -23.365 14.770 6.185 1.00 74.21 C ATOM 394 O LEU A 26 -23.449 13.547 6.297 1.00 15.11 O ATOM 395 CB LEU A 26 -22.052 15.255 4.112 1.00 15.41 C ATOM 396 CG LEU A 26 -21.963 15.791 2.683 1.00 63.04 C ATOM 397 CD1 LEU A 26 -20.598 15.488 2.084 1.00 11.54 C ATOM 398 CD2 LEU A 26 -23.069 15.199 1.821 1.00 62.25 C ATOM 0 H LEU A 26 -22.997 17.481 4.592 1.00 73.34 H new ATOM 0 HA LEU A 26 -24.179 14.956 4.218 1.00 52.45 H new ATOM 0 HB2 LEU A 26 -21.285 15.746 4.711 1.00 15.41 H new ATOM 0 HB3 LEU A 26 -21.812 14.192 4.096 1.00 15.41 H new ATOM 0 HG LEU A 26 -22.093 16.873 2.712 1.00 63.04 H new ATOM 0 HD11 LEU A 26 -20.553 15.877 1.067 1.00 11.54 H new ATOM 0 HD12 LEU A 26 -19.823 15.960 2.688 1.00 11.54 H new ATOM 0 HD13 LEU A 26 -20.439 14.410 2.068 1.00 11.54 H new ATOM 0 HD21 LEU A 26 -22.990 15.592 0.807 1.00 62.25 H new ATOM 0 HD22 LEU A 26 -22.971 14.114 1.798 1.00 62.25 H new ATOM 0 HD23 LEU A 26 -24.039 15.467 2.239 1.00 62.25 H new ATOM 410 N LYS A 27 -23.243 15.585 7.228 1.00 31.42 N ATOM 411 CA LYS A 27 -23.200 15.077 8.594 1.00 15.44 C ATOM 412 C LYS A 27 -24.421 14.214 8.892 1.00 73.32 C ATOM 413 O LYS A 27 -24.351 13.276 9.688 1.00 42.15 O ATOM 414 CB LYS A 27 -23.129 16.238 9.589 1.00 40.23 C ATOM 415 CG LYS A 27 -24.480 16.861 9.894 1.00 41.23 C ATOM 416 CD LYS A 27 -24.340 18.091 10.776 1.00 35.30 C ATOM 417 CE LYS A 27 -23.749 17.739 12.133 1.00 62.44 C ATOM 418 NZ LYS A 27 -23.641 18.932 13.017 1.00 53.31 N ATOM 0 H LYS A 27 -23.172 16.600 7.153 1.00 31.42 H new ATOM 0 HA LYS A 27 -22.307 14.461 8.698 1.00 15.44 H new ATOM 0 HB2 LYS A 27 -22.684 15.882 10.518 1.00 40.23 H new ATOM 0 HB3 LYS A 27 -22.466 17.006 9.192 1.00 40.23 H new ATOM 0 HG2 LYS A 27 -24.974 17.135 8.962 1.00 41.23 H new ATOM 0 HG3 LYS A 27 -25.117 16.128 10.389 1.00 41.23 H new ATOM 0 HD2 LYS A 27 -23.705 18.825 10.280 1.00 35.30 H new ATOM 0 HD3 LYS A 27 -25.317 18.555 10.913 1.00 35.30 H new ATOM 0 HE2 LYS A 27 -24.371 16.985 12.615 1.00 62.44 H new ATOM 0 HE3 LYS A 27 -22.762 17.298 11.996 1.00 62.44 H new ATOM 0 HZ1 LYS A 27 -23.234 18.651 13.932 1.00 53.31 H new ATOM 0 HZ2 LYS A 27 -23.027 19.642 12.569 1.00 53.31 H new ATOM 0 HZ3 LYS A 27 -24.586 19.338 13.169 1.00 53.31 H new ATOM 432 N SER A 28 -25.539 14.534 8.247 1.00 31.34 N ATOM 433 CA SER A 28 -26.776 13.787 8.446 1.00 60.23 C ATOM 434 C SER A 28 -26.738 12.462 7.690 1.00 0.42 C ATOM 435 O SER A 28 -27.430 11.511 8.049 1.00 22.30 O ATOM 436 CB SER A 28 -27.976 14.616 7.985 1.00 43.14 C ATOM 437 OG SER A 28 -29.148 14.258 8.697 1.00 1.22 O ATOM 0 H SER A 28 -25.613 15.305 7.583 1.00 31.34 H new ATOM 0 HA SER A 28 -26.877 13.575 9.510 1.00 60.23 H new ATOM 0 HB2 SER A 28 -27.767 15.676 8.131 1.00 43.14 H new ATOM 0 HB3 SER A 28 -28.136 14.467 6.917 1.00 43.14 H new ATOM 0 HG SER A 28 -29.900 14.803 8.385 1.00 1.22 H new ATOM 443 N GLY A 29 -25.923 12.409 6.641 1.00 14.30 N ATOM 444 CA GLY A 29 -25.810 11.198 5.850 1.00 52.21 C ATOM 445 C GLY A 29 -26.210 11.409 4.404 1.00 55.41 C ATOM 446 O GLY A 29 -26.642 10.474 3.730 1.00 43.54 O ATOM 0 H GLY A 29 -25.339 13.183 6.325 1.00 14.30 H new ATOM 0 HA2 GLY A 29 -24.782 10.836 5.890 1.00 52.21 H new ATOM 0 HA3 GLY A 29 -26.438 10.422 6.288 1.00 52.21 H new ATOM 450 N GLU A 30 -26.069 12.643 3.927 1.00 60.45 N ATOM 451 CA GLU A 30 -26.422 12.973 2.551 1.00 15.51 C ATOM 452 C GLU A 30 -25.364 12.459 1.579 1.00 52.42 C ATOM 453 O GLU A 30 -24.504 11.658 1.945 1.00 2.31 O ATOM 454 CB GLU A 30 -26.584 14.487 2.392 1.00 21.02 C ATOM 455 CG GLU A 30 -27.331 15.142 3.541 1.00 13.44 C ATOM 456 CD GLU A 30 -27.497 16.638 3.352 1.00 75.04 C ATOM 457 OE1 GLU A 30 -27.149 17.140 2.263 1.00 12.51 O ATOM 458 OE2 GLU A 30 -27.977 17.304 4.293 1.00 42.53 O ATOM 0 H GLU A 30 -25.714 13.428 4.472 1.00 60.45 H new ATOM 0 HA GLU A 30 -27.370 12.487 2.320 1.00 15.51 H new ATOM 0 HB2 GLU A 30 -25.598 14.942 2.304 1.00 21.02 H new ATOM 0 HB3 GLU A 30 -27.114 14.692 1.462 1.00 21.02 H new ATOM 0 HG2 GLU A 30 -28.314 14.681 3.640 1.00 13.44 H new ATOM 0 HG3 GLU A 30 -26.795 14.954 4.472 1.00 13.44 H new ATOM 465 N LYS A 31 -25.434 12.925 0.337 1.00 41.43 N ATOM 466 CA LYS A 31 -24.484 12.515 -0.690 1.00 41.51 C ATOM 467 C LYS A 31 -23.653 13.703 -1.169 1.00 74.11 C ATOM 468 O LYS A 31 -24.195 14.755 -1.509 1.00 32.31 O ATOM 469 CB LYS A 31 -25.220 11.884 -1.873 1.00 72.32 C ATOM 470 CG LYS A 31 -24.404 10.836 -2.609 1.00 43.23 C ATOM 471 CD LYS A 31 -24.426 9.501 -1.884 1.00 31.03 C ATOM 472 CE LYS A 31 -25.530 8.599 -2.411 1.00 75.44 C ATOM 473 NZ LYS A 31 -26.810 8.798 -1.676 1.00 54.41 N ATOM 0 H LYS A 31 -26.140 13.588 0.017 1.00 41.43 H new ATOM 0 HA LYS A 31 -23.812 11.776 -0.253 1.00 41.51 H new ATOM 0 HB2 LYS A 31 -26.143 11.428 -1.514 1.00 72.32 H new ATOM 0 HB3 LYS A 31 -25.504 12.669 -2.574 1.00 72.32 H new ATOM 0 HG2 LYS A 31 -24.797 10.710 -3.618 1.00 43.23 H new ATOM 0 HG3 LYS A 31 -23.374 11.180 -2.709 1.00 43.23 H new ATOM 0 HD2 LYS A 31 -23.462 9.006 -2.002 1.00 31.03 H new ATOM 0 HD3 LYS A 31 -24.570 9.668 -0.816 1.00 31.03 H new ATOM 0 HE2 LYS A 31 -25.686 8.798 -3.471 1.00 75.44 H new ATOM 0 HE3 LYS A 31 -25.220 7.558 -2.324 1.00 75.44 H new ATOM 0 HZ1 LYS A 31 -27.428 7.975 -1.827 1.00 54.41 H new ATOM 0 HZ2 LYS A 31 -26.614 8.903 -0.660 1.00 54.41 H new ATOM 0 HZ3 LYS A 31 -27.283 9.655 -2.028 1.00 54.41 H new ATOM 487 N PHE A 32 -22.337 13.527 -1.194 1.00 22.43 N ATOM 488 CA PHE A 32 -21.433 14.583 -1.632 1.00 3.32 C ATOM 489 C PHE A 32 -21.811 15.081 -3.024 1.00 21.31 C ATOM 490 O PHE A 32 -21.795 16.281 -3.291 1.00 72.14 O ATOM 491 CB PHE A 32 -19.988 14.080 -1.632 1.00 61.32 C ATOM 492 CG PHE A 32 -18.989 15.123 -2.043 1.00 14.54 C ATOM 493 CD1 PHE A 32 -18.797 15.431 -3.380 1.00 23.11 C ATOM 494 CD2 PHE A 32 -18.243 15.798 -1.091 1.00 1.53 C ATOM 495 CE1 PHE A 32 -17.878 16.390 -3.759 1.00 40.35 C ATOM 496 CE2 PHE A 32 -17.322 16.760 -1.464 1.00 41.33 C ATOM 497 CZ PHE A 32 -17.141 17.057 -2.801 1.00 24.34 C ATOM 0 H PHE A 32 -21.872 12.663 -0.916 1.00 22.43 H new ATOM 0 HA PHE A 32 -21.520 15.414 -0.932 1.00 3.32 H new ATOM 0 HB2 PHE A 32 -19.737 13.722 -0.634 1.00 61.32 H new ATOM 0 HB3 PHE A 32 -19.909 13.227 -2.306 1.00 61.32 H new ATOM 0 HD1 PHE A 32 -19.372 14.915 -4.135 1.00 23.11 H new ATOM 0 HD2 PHE A 32 -18.382 15.570 -0.044 1.00 1.53 H new ATOM 0 HE1 PHE A 32 -17.736 16.618 -4.805 1.00 40.35 H new ATOM 0 HE2 PHE A 32 -16.746 17.278 -0.712 1.00 41.33 H new ATOM 0 HZ PHE A 32 -16.425 17.809 -3.096 1.00 24.34 H new ATOM 507 N GLY A 33 -22.149 14.147 -3.907 1.00 71.23 N ATOM 508 CA GLY A 33 -22.526 14.508 -5.261 1.00 1.50 C ATOM 509 C GLY A 33 -23.736 15.422 -5.302 1.00 62.41 C ATOM 510 O GLY A 33 -23.775 16.378 -6.076 1.00 60.02 O ATOM 0 H GLY A 33 -22.169 13.147 -3.709 1.00 71.23 H new ATOM 0 HA2 GLY A 33 -21.686 15.001 -5.750 1.00 1.50 H new ATOM 0 HA3 GLY A 33 -22.739 13.603 -5.829 1.00 1.50 H new ATOM 514 N LYS A 34 -24.727 15.125 -4.468 1.00 0.50 N ATOM 515 CA LYS A 34 -25.944 15.925 -4.411 1.00 0.40 C ATOM 516 C LYS A 34 -25.616 17.403 -4.224 1.00 15.50 C ATOM 517 O LYS A 34 -26.365 18.277 -4.665 1.00 64.24 O ATOM 518 CB LYS A 34 -26.843 15.443 -3.270 1.00 55.24 C ATOM 519 CG LYS A 34 -27.624 14.184 -3.603 1.00 15.41 C ATOM 520 CD LYS A 34 -28.578 13.807 -2.480 1.00 42.44 C ATOM 521 CE LYS A 34 -29.822 14.682 -2.488 1.00 73.32 C ATOM 522 NZ LYS A 34 -30.948 14.049 -1.747 1.00 54.55 N ATOM 0 H LYS A 34 -24.711 14.336 -3.822 1.00 0.50 H new ATOM 0 HA LYS A 34 -26.472 15.805 -5.357 1.00 0.40 H new ATOM 0 HB2 LYS A 34 -26.229 15.258 -2.388 1.00 55.24 H new ATOM 0 HB3 LYS A 34 -27.543 16.237 -3.010 1.00 55.24 H new ATOM 0 HG2 LYS A 34 -28.187 14.336 -4.524 1.00 15.41 H new ATOM 0 HG3 LYS A 34 -26.931 13.362 -3.785 1.00 15.41 H new ATOM 0 HD2 LYS A 34 -28.867 12.761 -2.582 1.00 42.44 H new ATOM 0 HD3 LYS A 34 -28.069 13.905 -1.521 1.00 42.44 H new ATOM 0 HE2 LYS A 34 -29.590 15.648 -2.040 1.00 73.32 H new ATOM 0 HE3 LYS A 34 -30.126 14.873 -3.517 1.00 73.32 H new ATOM 0 HZ1 LYS A 34 -31.778 14.675 -1.775 1.00 54.55 H new ATOM 0 HZ2 LYS A 34 -31.187 13.139 -2.190 1.00 54.55 H new ATOM 0 HZ3 LYS A 34 -30.667 13.890 -0.758 1.00 54.55 H new ATOM 536 N LEU A 35 -24.493 17.677 -3.570 1.00 60.01 N ATOM 537 CA LEU A 35 -24.064 19.050 -3.326 1.00 73.32 C ATOM 538 C LEU A 35 -23.110 19.524 -4.417 1.00 54.23 C ATOM 539 O LEU A 35 -23.084 20.705 -4.761 1.00 45.44 O ATOM 540 CB LEU A 35 -23.388 19.158 -1.959 1.00 24.11 C ATOM 541 CG LEU A 35 -24.031 18.357 -0.826 1.00 63.35 C ATOM 542 CD1 LEU A 35 -23.340 18.652 0.497 1.00 42.45 C ATOM 543 CD2 LEU A 35 -25.518 18.663 -0.734 1.00 15.54 C ATOM 0 H LEU A 35 -23.862 16.966 -3.199 1.00 60.01 H new ATOM 0 HA LEU A 35 -24.947 19.689 -3.339 1.00 73.32 H new ATOM 0 HB2 LEU A 35 -22.352 18.836 -2.062 1.00 24.11 H new ATOM 0 HB3 LEU A 35 -23.368 20.208 -1.668 1.00 24.11 H new ATOM 0 HG LEU A 35 -23.912 17.296 -1.044 1.00 63.35 H new ATOM 0 HD11 LEU A 35 -23.812 18.073 1.291 1.00 42.45 H new ATOM 0 HD12 LEU A 35 -22.287 18.380 0.426 1.00 42.45 H new ATOM 0 HD13 LEU A 35 -23.426 19.715 0.723 1.00 42.45 H new ATOM 0 HD21 LEU A 35 -25.959 18.084 0.078 1.00 15.54 H new ATOM 0 HD22 LEU A 35 -25.659 19.726 -0.540 1.00 15.54 H new ATOM 0 HD23 LEU A 35 -26.003 18.398 -1.674 1.00 15.54 H new ATOM 555 N ALA A 36 -22.330 18.595 -4.959 1.00 32.22 N ATOM 556 CA ALA A 36 -21.377 18.918 -6.014 1.00 32.12 C ATOM 557 C ALA A 36 -22.091 19.181 -7.336 1.00 1.31 C ATOM 558 O ALA A 36 -21.520 19.765 -8.257 1.00 23.12 O ATOM 559 CB ALA A 36 -20.365 17.793 -6.174 1.00 15.34 C ATOM 0 H ALA A 36 -22.339 17.613 -4.685 1.00 32.22 H new ATOM 0 HA ALA A 36 -20.850 19.828 -5.728 1.00 32.12 H new ATOM 0 HB1 ALA A 36 -19.660 18.048 -6.965 1.00 15.34 H new ATOM 0 HB2 ALA A 36 -19.825 17.653 -5.238 1.00 15.34 H new ATOM 0 HB3 ALA A 36 -20.884 16.871 -6.434 1.00 15.34 H new ATOM 565 N LYS A 37 -23.343 18.746 -7.424 1.00 33.02 N ATOM 566 CA LYS A 37 -24.136 18.934 -8.632 1.00 54.34 C ATOM 567 C LYS A 37 -25.003 20.185 -8.525 1.00 45.55 C ATOM 568 O LYS A 37 -25.905 20.397 -9.335 1.00 1.52 O ATOM 569 CB LYS A 37 -25.020 17.710 -8.885 1.00 4.24 C ATOM 570 CG LYS A 37 -26.106 17.519 -7.841 1.00 34.04 C ATOM 571 CD LYS A 37 -26.752 16.148 -7.951 1.00 63.22 C ATOM 572 CE LYS A 37 -28.196 16.172 -7.477 1.00 74.22 C ATOM 573 NZ LYS A 37 -28.765 14.801 -7.362 1.00 34.22 N ATOM 0 H LYS A 37 -23.831 18.260 -6.672 1.00 33.02 H new ATOM 0 HA LYS A 37 -23.450 19.058 -9.470 1.00 54.34 H new ATOM 0 HB2 LYS A 37 -25.484 17.804 -9.867 1.00 4.24 H new ATOM 0 HB3 LYS A 37 -24.393 16.819 -8.912 1.00 4.24 H new ATOM 0 HG2 LYS A 37 -25.680 17.642 -6.845 1.00 34.04 H new ATOM 0 HG3 LYS A 37 -26.866 18.291 -7.960 1.00 34.04 H new ATOM 0 HD2 LYS A 37 -26.714 15.809 -8.986 1.00 63.22 H new ATOM 0 HD3 LYS A 37 -26.186 15.429 -7.359 1.00 63.22 H new ATOM 0 HE2 LYS A 37 -28.252 16.671 -6.509 1.00 74.22 H new ATOM 0 HE3 LYS A 37 -28.797 16.757 -8.173 1.00 74.22 H new ATOM 0 HZ1 LYS A 37 -29.745 14.860 -7.020 1.00 34.22 H new ATOM 0 HZ2 LYS A 37 -28.750 14.340 -8.294 1.00 34.22 H new ATOM 0 HZ3 LYS A 37 -28.197 14.245 -6.692 1.00 34.22 H new ATOM 587 N GLU A 38 -24.719 21.012 -7.524 1.00 34.12 N ATOM 588 CA GLU A 38 -25.473 22.242 -7.313 1.00 11.54 C ATOM 589 C GLU A 38 -24.556 23.369 -6.847 1.00 50.14 C ATOM 590 O GLU A 38 -24.457 24.412 -7.495 1.00 71.34 O ATOM 591 CB GLU A 38 -26.584 22.017 -6.284 1.00 61.14 C ATOM 592 CG GLU A 38 -27.606 20.977 -6.712 1.00 10.14 C ATOM 593 CD GLU A 38 -28.602 21.517 -7.720 1.00 45.35 C ATOM 594 OE1 GLU A 38 -29.272 22.524 -7.412 1.00 51.32 O ATOM 595 OE2 GLU A 38 -28.707 20.933 -8.818 1.00 70.33 O ATOM 0 H GLU A 38 -23.973 20.853 -6.847 1.00 34.12 H new ATOM 0 HA GLU A 38 -25.921 22.530 -8.264 1.00 11.54 H new ATOM 0 HB2 GLU A 38 -26.136 21.707 -5.340 1.00 61.14 H new ATOM 0 HB3 GLU A 38 -27.095 22.962 -6.100 1.00 61.14 H new ATOM 0 HG2 GLU A 38 -27.088 20.120 -7.142 1.00 10.14 H new ATOM 0 HG3 GLU A 38 -28.142 20.617 -5.834 1.00 10.14 H new ATOM 602 N LEU A 39 -23.886 23.152 -5.721 1.00 11.23 N ATOM 603 CA LEU A 39 -22.977 24.149 -5.167 1.00 2.12 C ATOM 604 C LEU A 39 -21.784 24.371 -6.091 1.00 54.25 C ATOM 605 O LEU A 39 -21.405 25.509 -6.370 1.00 71.35 O ATOM 606 CB LEU A 39 -22.490 23.712 -3.784 1.00 31.10 C ATOM 607 CG LEU A 39 -23.564 23.588 -2.704 1.00 33.14 C ATOM 608 CD1 LEU A 39 -22.938 23.210 -1.369 1.00 52.31 C ATOM 609 CD2 LEU A 39 -24.348 24.886 -2.578 1.00 73.04 C ATOM 0 H LEU A 39 -23.955 22.294 -5.173 1.00 11.23 H new ATOM 0 HA LEU A 39 -23.521 25.089 -5.074 1.00 2.12 H new ATOM 0 HB2 LEU A 39 -21.991 22.748 -3.884 1.00 31.10 H new ATOM 0 HB3 LEU A 39 -21.740 24.426 -3.443 1.00 31.10 H new ATOM 0 HG LEU A 39 -24.255 22.797 -2.996 1.00 33.14 H new ATOM 0 HD11 LEU A 39 -23.718 23.126 -0.612 1.00 52.31 H new ATOM 0 HD12 LEU A 39 -22.423 22.254 -1.466 1.00 52.31 H new ATOM 0 HD13 LEU A 39 -22.224 23.978 -1.071 1.00 52.31 H new ATOM 0 HD21 LEU A 39 -25.108 24.778 -1.804 1.00 73.04 H new ATOM 0 HD22 LEU A 39 -23.670 25.696 -2.310 1.00 73.04 H new ATOM 0 HD23 LEU A 39 -24.829 25.115 -3.529 1.00 73.04 H new ATOM 621 N SER A 40 -21.198 23.276 -6.566 1.00 43.41 N ATOM 622 CA SER A 40 -20.047 23.351 -7.458 1.00 53.34 C ATOM 623 C SER A 40 -20.346 24.247 -8.656 1.00 50.12 C ATOM 624 O SER A 40 -21.029 23.838 -9.596 1.00 70.14 O ATOM 625 CB SER A 40 -19.656 21.953 -7.939 1.00 21.40 C ATOM 626 OG SER A 40 -18.247 21.803 -7.982 1.00 3.40 O ATOM 0 H SER A 40 -21.502 22.327 -6.348 1.00 43.41 H new ATOM 0 HA SER A 40 -19.215 23.782 -6.901 1.00 53.34 H new ATOM 0 HB2 SER A 40 -20.084 21.203 -7.274 1.00 21.40 H new ATOM 0 HB3 SER A 40 -20.074 21.776 -8.930 1.00 21.40 H new ATOM 0 HG SER A 40 -17.842 22.621 -8.339 1.00 3.40 H new ATOM 632 N ILE A 41 -19.830 25.471 -8.615 1.00 21.30 N ATOM 633 CA ILE A 41 -20.041 26.426 -9.697 1.00 65.44 C ATOM 634 C ILE A 41 -19.299 25.997 -10.959 1.00 13.20 C ATOM 635 O ILE A 41 -19.662 26.390 -12.067 1.00 70.05 O ATOM 636 CB ILE A 41 -19.579 27.839 -9.298 1.00 53.54 C ATOM 637 CG1 ILE A 41 -18.141 27.802 -8.776 1.00 11.32 C ATOM 638 CG2 ILE A 41 -20.514 28.425 -8.251 1.00 3.23 C ATOM 639 CD1 ILE A 41 -17.345 29.043 -9.112 1.00 65.35 C ATOM 0 H ILE A 41 -19.263 25.825 -7.845 1.00 21.30 H new ATOM 0 HA ILE A 41 -21.112 26.447 -9.897 1.00 65.44 H new ATOM 0 HB ILE A 41 -19.608 28.477 -10.181 1.00 53.54 H new ATOM 0 HG12 ILE A 41 -18.159 27.674 -7.694 1.00 11.32 H new ATOM 0 HG13 ILE A 41 -17.634 26.931 -9.192 1.00 11.32 H new ATOM 0 HG21 ILE A 41 -20.175 29.424 -7.979 1.00 3.23 H new ATOM 0 HG22 ILE A 41 -21.524 28.483 -8.657 1.00 3.23 H new ATOM 0 HG23 ILE A 41 -20.514 27.788 -7.366 1.00 3.23 H new ATOM 0 HD11 ILE A 41 -16.336 28.948 -8.711 1.00 65.35 H new ATOM 0 HD12 ILE A 41 -17.296 29.162 -10.194 1.00 65.35 H new ATOM 0 HD13 ILE A 41 -17.829 29.916 -8.673 1.00 65.35 H new ATOM 651 N ASP A 42 -18.260 25.189 -10.782 1.00 43.42 N ATOM 652 CA ASP A 42 -17.468 24.706 -11.907 1.00 61.42 C ATOM 653 C ASP A 42 -18.318 23.854 -12.844 1.00 30.14 C ATOM 654 O ASP A 42 -18.851 22.818 -12.446 1.00 34.23 O ATOM 655 CB ASP A 42 -16.272 23.894 -11.405 1.00 53.55 C ATOM 656 CG ASP A 42 -15.371 23.431 -12.533 1.00 54.14 C ATOM 657 OD1 ASP A 42 -15.641 23.800 -13.696 1.00 1.14 O ATOM 658 OD2 ASP A 42 -14.399 22.699 -12.255 1.00 12.44 O ATOM 0 H ASP A 42 -17.946 24.855 -9.871 1.00 43.42 H new ATOM 0 HA ASP A 42 -17.104 25.571 -12.461 1.00 61.42 H new ATOM 0 HB2 ASP A 42 -15.693 24.499 -10.707 1.00 53.55 H new ATOM 0 HB3 ASP A 42 -16.632 23.026 -10.852 1.00 53.55 H new ATOM 663 N SER A 43 -18.443 24.298 -14.090 1.00 61.32 N ATOM 664 CA SER A 43 -19.232 23.579 -15.083 1.00 13.13 C ATOM 665 C SER A 43 -18.720 22.153 -15.255 1.00 71.44 C ATOM 666 O SER A 43 -19.453 21.267 -15.694 1.00 25.32 O ATOM 667 CB SER A 43 -19.195 24.313 -16.425 1.00 64.34 C ATOM 668 OG SER A 43 -17.892 24.289 -16.983 1.00 24.14 O ATOM 0 H SER A 43 -18.008 25.153 -14.436 1.00 61.32 H new ATOM 0 HA SER A 43 -20.262 23.536 -14.730 1.00 13.13 H new ATOM 0 HB2 SER A 43 -19.899 23.849 -17.116 1.00 64.34 H new ATOM 0 HB3 SER A 43 -19.516 25.345 -16.288 1.00 64.34 H new ATOM 0 HG SER A 43 -17.895 24.763 -17.841 1.00 24.14 H new ATOM 674 N GLY A 44 -17.455 21.938 -14.907 1.00 12.11 N ATOM 675 CA GLY A 44 -16.865 20.618 -15.031 1.00 21.31 C ATOM 676 C GLY A 44 -16.908 19.840 -13.730 1.00 61.35 C ATOM 677 O GLY A 44 -16.307 18.772 -13.618 1.00 45.22 O ATOM 0 H GLY A 44 -16.828 22.655 -14.541 1.00 12.11 H new ATOM 0 HA2 GLY A 44 -17.393 20.058 -15.803 1.00 21.31 H new ATOM 0 HA3 GLY A 44 -15.830 20.715 -15.359 1.00 21.31 H new ATOM 681 N SER A 45 -17.621 20.376 -12.746 1.00 1.32 N ATOM 682 CA SER A 45 -17.736 19.727 -11.444 1.00 73.15 C ATOM 683 C SER A 45 -19.198 19.593 -11.031 1.00 50.22 C ATOM 684 O SER A 45 -19.508 19.041 -9.977 1.00 14.23 O ATOM 685 CB SER A 45 -16.966 20.519 -10.386 1.00 2.24 C ATOM 686 OG SER A 45 -15.698 20.925 -10.874 1.00 32.13 O ATOM 0 H SER A 45 -18.128 21.258 -12.824 1.00 1.32 H new ATOM 0 HA SER A 45 -17.306 18.728 -11.524 1.00 73.15 H new ATOM 0 HB2 SER A 45 -17.543 21.395 -10.092 1.00 2.24 H new ATOM 0 HB3 SER A 45 -16.837 19.908 -9.493 1.00 2.24 H new ATOM 0 HG SER A 45 -15.017 20.280 -10.591 1.00 32.13 H new ATOM 692 N ALA A 46 -20.093 20.103 -11.872 1.00 30.22 N ATOM 693 CA ALA A 46 -21.523 20.039 -11.597 1.00 33.03 C ATOM 694 C ALA A 46 -22.200 18.976 -12.454 1.00 51.43 C ATOM 695 O ALA A 46 -23.366 18.643 -12.243 1.00 72.32 O ATOM 696 CB ALA A 46 -22.167 21.398 -11.830 1.00 50.34 C ATOM 0 H ALA A 46 -19.852 20.565 -12.749 1.00 30.22 H new ATOM 0 HA ALA A 46 -21.655 19.762 -10.551 1.00 33.03 H new ATOM 0 HB1 ALA A 46 -23.235 21.335 -11.621 1.00 50.34 H new ATOM 0 HB2 ALA A 46 -21.711 22.135 -11.169 1.00 50.34 H new ATOM 0 HB3 ALA A 46 -22.017 21.698 -12.867 1.00 50.34 H new ATOM 702 N LYS A 47 -21.462 18.447 -13.425 1.00 12.11 N ATOM 703 CA LYS A 47 -21.991 17.421 -14.315 1.00 52.35 C ATOM 704 C LYS A 47 -21.448 16.045 -13.944 1.00 0.12 C ATOM 705 O LYS A 47 -21.889 15.027 -14.478 1.00 21.02 O ATOM 706 CB LYS A 47 -21.636 17.746 -15.768 1.00 61.42 C ATOM 707 CG LYS A 47 -22.494 17.011 -16.783 1.00 52.21 C ATOM 708 CD LYS A 47 -21.966 17.192 -18.196 1.00 44.14 C ATOM 709 CE LYS A 47 -22.015 18.649 -18.629 1.00 10.24 C ATOM 710 NZ LYS A 47 -21.571 18.826 -20.039 1.00 62.23 N ATOM 0 H LYS A 47 -20.496 18.712 -13.615 1.00 12.11 H new ATOM 0 HA LYS A 47 -23.075 17.405 -14.206 1.00 52.35 H new ATOM 0 HB2 LYS A 47 -21.739 18.819 -15.927 1.00 61.42 H new ATOM 0 HB3 LYS A 47 -20.589 17.497 -15.942 1.00 61.42 H new ATOM 0 HG2 LYS A 47 -22.521 15.949 -16.537 1.00 52.21 H new ATOM 0 HG3 LYS A 47 -23.519 17.377 -16.727 1.00 52.21 H new ATOM 0 HD2 LYS A 47 -20.939 16.830 -18.251 1.00 44.14 H new ATOM 0 HD3 LYS A 47 -22.555 16.587 -18.885 1.00 44.14 H new ATOM 0 HE2 LYS A 47 -23.032 19.026 -18.519 1.00 10.24 H new ATOM 0 HE3 LYS A 47 -21.381 19.244 -17.972 1.00 10.24 H new ATOM 0 HZ1 LYS A 47 -21.619 19.833 -20.294 1.00 62.23 H new ATOM 0 HZ2 LYS A 47 -20.592 18.490 -20.139 1.00 62.23 H new ATOM 0 HZ3 LYS A 47 -22.191 18.279 -20.670 1.00 62.23 H new ATOM 724 N LYS A 48 -20.490 16.022 -13.023 1.00 75.13 N ATOM 725 CA LYS A 48 -19.889 14.770 -12.576 1.00 11.32 C ATOM 726 C LYS A 48 -19.866 14.692 -11.053 1.00 61.02 C ATOM 727 O LYS A 48 -18.990 14.057 -10.469 1.00 44.11 O ATOM 728 CB LYS A 48 -18.467 14.640 -13.126 1.00 44.22 C ATOM 729 CG LYS A 48 -17.734 15.965 -13.239 1.00 2.14 C ATOM 730 CD LYS A 48 -17.909 16.583 -14.617 1.00 11.54 C ATOM 731 CE LYS A 48 -16.635 16.475 -15.441 1.00 33.23 C ATOM 732 NZ LYS A 48 -16.692 17.325 -16.663 1.00 61.42 N ATOM 0 H LYS A 48 -20.113 16.856 -12.572 1.00 75.13 H new ATOM 0 HA LYS A 48 -20.496 13.947 -12.955 1.00 11.32 H new ATOM 0 HB2 LYS A 48 -17.896 13.973 -12.480 1.00 44.22 H new ATOM 0 HB3 LYS A 48 -18.508 14.173 -14.110 1.00 44.22 H new ATOM 0 HG2 LYS A 48 -18.106 16.654 -12.480 1.00 2.14 H new ATOM 0 HG3 LYS A 48 -16.673 15.813 -13.039 1.00 2.14 H new ATOM 0 HD2 LYS A 48 -18.725 16.084 -15.140 1.00 11.54 H new ATOM 0 HD3 LYS A 48 -18.190 17.631 -14.514 1.00 11.54 H new ATOM 0 HE2 LYS A 48 -15.782 16.772 -14.831 1.00 33.23 H new ATOM 0 HE3 LYS A 48 -16.475 15.436 -15.728 1.00 33.23 H new ATOM 0 HZ1 LYS A 48 -16.107 16.899 -17.410 1.00 61.42 H new ATOM 0 HZ2 LYS A 48 -17.676 17.395 -16.992 1.00 61.42 H new ATOM 0 HZ3 LYS A 48 -16.333 18.276 -16.442 1.00 61.42 H new ATOM 746 N ASN A 49 -20.836 15.340 -10.417 1.00 73.31 N ATOM 747 CA ASN A 49 -20.927 15.341 -8.961 1.00 72.13 C ATOM 748 C ASN A 49 -19.595 15.739 -8.333 1.00 34.11 C ATOM 749 O ASN A 49 -19.261 15.304 -7.233 1.00 24.42 O ATOM 750 CB ASN A 49 -21.350 13.960 -8.454 1.00 55.55 C ATOM 751 CG ASN A 49 -22.829 13.696 -8.663 1.00 60.13 C ATOM 752 OD1 ASN A 49 -23.667 14.604 -8.176 1.00 72.22 O flip ATOM 753 ND2 ASN A 49 -23.212 12.688 -9.256 1.00 51.14 N flip ATOM 0 H ASN A 49 -21.570 15.871 -10.886 1.00 73.31 H new ATOM 0 HA ASN A 49 -21.680 16.074 -8.670 1.00 72.13 H new ATOM 0 HB2 ASN A 49 -20.771 13.194 -8.969 1.00 55.55 H new ATOM 0 HB3 ASN A 49 -21.115 13.878 -7.393 1.00 55.55 H new ATOM 0 HD21 ASN A 49 -22.532 12.017 -9.613 1.00 51.14 H new ATOM 0 HD22 ASN A 49 -24.210 12.523 -9.390 1.00 51.14 H new ATOM 760 N GLY A 50 -18.838 16.572 -9.042 1.00 11.33 N ATOM 761 CA GLY A 50 -17.552 17.016 -8.538 1.00 72.31 C ATOM 762 C GLY A 50 -16.628 15.860 -8.207 1.00 55.13 C ATOM 763 O GLY A 50 -15.699 16.007 -7.415 1.00 61.35 O ATOM 0 H GLY A 50 -19.093 16.947 -9.956 1.00 11.33 H new ATOM 0 HA2 GLY A 50 -17.076 17.657 -9.280 1.00 72.31 H new ATOM 0 HA3 GLY A 50 -17.705 17.622 -7.645 1.00 72.31 H new ATOM 767 N ASN A 51 -16.887 14.706 -8.813 1.00 2.12 N ATOM 768 CA ASN A 51 -16.074 13.518 -8.576 1.00 44.33 C ATOM 769 C ASN A 51 -15.022 13.353 -9.670 1.00 20.14 C ATOM 770 O ASN A 51 -15.237 12.639 -10.649 1.00 73.43 O ATOM 771 CB ASN A 51 -16.959 12.272 -8.511 1.00 11.52 C ATOM 772 CG ASN A 51 -16.151 10.989 -8.507 1.00 2.51 C ATOM 773 OD1 ASN A 51 -16.421 10.070 -9.279 1.00 54.45 O ATOM 774 ND2 ASN A 51 -15.153 10.921 -7.634 1.00 14.31 N ATOM 0 H ASN A 51 -17.653 14.568 -9.472 1.00 2.12 H new ATOM 0 HA ASN A 51 -15.564 13.642 -7.621 1.00 44.33 H new ATOM 0 HB2 ASN A 51 -17.575 12.313 -7.612 1.00 11.52 H new ATOM 0 HB3 ASN A 51 -17.639 12.268 -9.363 1.00 11.52 H new ATOM 0 HD21 ASN A 51 -14.575 10.082 -7.585 1.00 14.31 H new ATOM 0 HD22 ASN A 51 -14.965 11.707 -7.012 1.00 14.31 H new ATOM 781 N LEU A 52 -13.885 14.016 -9.495 1.00 40.51 N ATOM 782 CA LEU A 52 -12.799 13.942 -10.466 1.00 2.32 C ATOM 783 C LEU A 52 -12.196 12.542 -10.503 1.00 34.14 C ATOM 784 O LEU A 52 -11.442 12.203 -11.414 1.00 42.31 O ATOM 785 CB LEU A 52 -11.715 14.968 -10.128 1.00 34.23 C ATOM 786 CG LEU A 52 -11.156 14.909 -8.706 1.00 4.30 C ATOM 787 CD1 LEU A 52 -10.048 13.871 -8.611 1.00 53.33 C ATOM 788 CD2 LEU A 52 -10.645 16.276 -8.277 1.00 40.42 C ATOM 0 H LEU A 52 -13.691 14.611 -8.690 1.00 40.51 H new ATOM 0 HA LEU A 52 -13.209 14.167 -11.450 1.00 2.32 H new ATOM 0 HB2 LEU A 52 -10.889 14.838 -10.827 1.00 34.23 H new ATOM 0 HB3 LEU A 52 -12.121 15.965 -10.296 1.00 34.23 H new ATOM 0 HG LEU A 52 -11.961 14.615 -8.032 1.00 4.30 H new ATOM 0 HD11 LEU A 52 -9.662 13.843 -7.592 1.00 53.33 H new ATOM 0 HD12 LEU A 52 -10.444 12.891 -8.876 1.00 53.33 H new ATOM 0 HD13 LEU A 52 -9.243 14.135 -9.297 1.00 53.33 H new ATOM 0 HD21 LEU A 52 -10.251 16.215 -7.263 1.00 40.42 H new ATOM 0 HD22 LEU A 52 -9.854 16.598 -8.955 1.00 40.42 H new ATOM 0 HD23 LEU A 52 -11.463 16.996 -8.306 1.00 40.42 H new ATOM 800 N GLY A 53 -12.535 11.730 -9.505 1.00 55.13 N ATOM 801 CA GLY A 53 -12.020 10.375 -9.444 1.00 43.53 C ATOM 802 C GLY A 53 -10.589 10.321 -8.949 1.00 23.22 C ATOM 803 O GLY A 53 -10.263 10.887 -7.905 1.00 55.25 O ATOM 0 H GLY A 53 -13.157 11.987 -8.738 1.00 55.13 H new ATOM 0 HA2 GLY A 53 -12.652 9.779 -8.786 1.00 43.53 H new ATOM 0 HA3 GLY A 53 -12.076 9.923 -10.434 1.00 43.53 H new ATOM 807 N TYR A 54 -9.730 9.638 -9.698 1.00 74.05 N ATOM 808 CA TYR A 54 -8.326 9.508 -9.328 1.00 34.43 C ATOM 809 C TYR A 54 -7.497 10.634 -9.935 1.00 41.12 C ATOM 810 O TYR A 54 -7.659 10.979 -11.107 1.00 21.24 O ATOM 811 CB TYR A 54 -7.780 8.154 -9.783 1.00 2.14 C ATOM 812 CG TYR A 54 -7.750 7.113 -8.686 1.00 73.25 C ATOM 813 CD1 TYR A 54 -8.841 6.932 -7.844 1.00 22.23 C ATOM 814 CD2 TYR A 54 -6.633 6.309 -8.494 1.00 42.31 C ATOM 815 CE1 TYR A 54 -8.818 5.983 -6.840 1.00 62.31 C ATOM 816 CE2 TYR A 54 -6.603 5.358 -7.494 1.00 24.40 C ATOM 817 CZ TYR A 54 -7.697 5.197 -6.669 1.00 43.43 C ATOM 818 OH TYR A 54 -7.670 4.250 -5.672 1.00 34.14 O ATOM 0 H TYR A 54 -9.982 9.165 -10.566 1.00 74.05 H new ATOM 0 HA TYR A 54 -8.255 9.574 -8.242 1.00 34.43 H new ATOM 0 HB2 TYR A 54 -8.390 7.784 -10.607 1.00 2.14 H new ATOM 0 HB3 TYR A 54 -6.770 8.290 -10.170 1.00 2.14 H new ATOM 0 HD1 TYR A 54 -9.721 7.543 -7.977 1.00 22.23 H new ATOM 0 HD2 TYR A 54 -5.774 6.430 -9.138 1.00 42.31 H new ATOM 0 HE1 TYR A 54 -9.673 5.857 -6.192 1.00 62.31 H new ATOM 0 HE2 TYR A 54 -5.726 4.742 -7.358 1.00 24.40 H new ATOM 0 HH TYR A 54 -6.809 3.782 -5.688 1.00 34.14 H new ATOM 828 N PHE A 55 -6.606 11.205 -9.131 1.00 23.31 N ATOM 829 CA PHE A 55 -5.749 12.293 -9.588 1.00 34.04 C ATOM 830 C PHE A 55 -4.325 12.119 -9.067 1.00 35.01 C ATOM 831 O PHE A 55 -4.015 11.142 -8.385 1.00 34.23 O ATOM 832 CB PHE A 55 -6.312 13.639 -9.129 1.00 40.35 C ATOM 833 CG PHE A 55 -5.822 14.063 -7.774 1.00 34.12 C ATOM 834 CD1 PHE A 55 -5.923 13.208 -6.688 1.00 51.41 C ATOM 835 CD2 PHE A 55 -5.262 15.317 -7.585 1.00 74.23 C ATOM 836 CE1 PHE A 55 -5.474 13.596 -5.440 1.00 35.24 C ATOM 837 CE2 PHE A 55 -4.811 15.710 -6.339 1.00 75.31 C ATOM 838 CZ PHE A 55 -4.917 14.847 -5.265 1.00 54.51 C ATOM 0 H PHE A 55 -6.459 10.932 -8.159 1.00 23.31 H new ATOM 0 HA PHE A 55 -5.723 12.270 -10.677 1.00 34.04 H new ATOM 0 HB2 PHE A 55 -6.045 14.403 -9.859 1.00 40.35 H new ATOM 0 HB3 PHE A 55 -7.400 13.582 -9.111 1.00 40.35 H new ATOM 0 HD1 PHE A 55 -6.357 12.228 -6.818 1.00 51.41 H new ATOM 0 HD2 PHE A 55 -5.177 15.995 -8.421 1.00 74.23 H new ATOM 0 HE1 PHE A 55 -5.559 12.921 -4.602 1.00 35.24 H new ATOM 0 HE2 PHE A 55 -4.377 16.690 -6.205 1.00 75.31 H new ATOM 0 HZ PHE A 55 -4.565 15.151 -4.290 1.00 54.51 H new ATOM 848 N THR A 56 -3.462 13.076 -9.393 1.00 63.44 N ATOM 849 CA THR A 56 -2.071 13.029 -8.961 1.00 44.14 C ATOM 850 C THR A 56 -1.515 14.433 -8.745 1.00 62.31 C ATOM 851 O THR A 56 -2.220 15.425 -8.923 1.00 52.01 O ATOM 852 CB THR A 56 -1.188 12.293 -9.986 1.00 73.24 C ATOM 853 OG1 THR A 56 -1.108 13.050 -11.200 1.00 15.42 O ATOM 854 CG2 THR A 56 -1.743 10.908 -10.282 1.00 73.14 C ATOM 0 H THR A 56 -3.702 13.893 -9.955 1.00 63.44 H new ATOM 0 HA THR A 56 -2.052 12.483 -8.018 1.00 44.14 H new ATOM 0 HB THR A 56 -0.190 12.185 -9.561 1.00 73.24 H new ATOM 0 HG1 THR A 56 -0.543 12.575 -11.845 1.00 15.42 H new ATOM 0 HG21 THR A 56 -1.103 10.407 -11.008 1.00 73.14 H new ATOM 0 HG22 THR A 56 -1.774 10.324 -9.362 1.00 73.14 H new ATOM 0 HG23 THR A 56 -2.750 10.999 -10.688 1.00 73.14 H new ATOM 862 N LYS A 57 -0.245 14.508 -8.361 1.00 20.33 N ATOM 863 CA LYS A 57 0.407 15.790 -8.122 1.00 24.13 C ATOM 864 C LYS A 57 0.863 16.421 -9.433 1.00 4.24 C ATOM 865 O LYS A 57 1.807 15.948 -10.066 1.00 0.34 O ATOM 866 CB LYS A 57 1.604 15.610 -7.186 1.00 23.53 C ATOM 867 CG LYS A 57 1.305 14.742 -5.976 1.00 1.22 C ATOM 868 CD LYS A 57 2.061 15.219 -4.746 1.00 54.41 C ATOM 869 CE LYS A 57 3.512 14.767 -4.773 1.00 24.13 C ATOM 870 NZ LYS A 57 4.344 15.621 -5.666 1.00 13.04 N ATOM 0 H LYS A 57 0.353 13.696 -8.209 1.00 20.33 H new ATOM 0 HA LYS A 57 -0.317 16.456 -7.652 1.00 24.13 H new ATOM 0 HB2 LYS A 57 2.428 15.168 -7.745 1.00 23.53 H new ATOM 0 HB3 LYS A 57 1.939 16.590 -6.846 1.00 23.53 H new ATOM 0 HG2 LYS A 57 0.234 14.755 -5.774 1.00 1.22 H new ATOM 0 HG3 LYS A 57 1.576 13.709 -6.193 1.00 1.22 H new ATOM 0 HD2 LYS A 57 2.019 16.307 -4.691 1.00 54.41 H new ATOM 0 HD3 LYS A 57 1.576 14.835 -3.848 1.00 54.41 H new ATOM 0 HE2 LYS A 57 3.919 14.794 -3.762 1.00 24.13 H new ATOM 0 HE3 LYS A 57 3.563 13.732 -5.110 1.00 24.13 H new ATOM 0 HZ1 LYS A 57 5.331 15.608 -5.338 1.00 13.04 H new ATOM 0 HZ2 LYS A 57 4.298 15.255 -6.638 1.00 13.04 H new ATOM 0 HZ3 LYS A 57 3.985 16.597 -5.646 1.00 13.04 H new ATOM 884 N GLY A 58 0.188 17.493 -9.834 1.00 40.44 N ATOM 885 CA GLY A 58 0.540 18.173 -11.067 1.00 41.15 C ATOM 886 C GLY A 58 -0.633 18.291 -12.021 1.00 3.11 C ATOM 887 O GLY A 58 -0.481 18.763 -13.147 1.00 34.33 O ATOM 0 H GLY A 58 -0.597 17.903 -9.327 1.00 40.44 H new ATOM 0 HA2 GLY A 58 0.916 19.169 -10.834 1.00 41.15 H new ATOM 0 HA3 GLY A 58 1.350 17.633 -11.557 1.00 41.15 H new ATOM 891 N MET A 59 -1.806 17.859 -11.568 1.00 50.01 N ATOM 892 CA MET A 59 -3.009 17.919 -12.389 1.00 70.43 C ATOM 893 C MET A 59 -3.999 18.936 -11.830 1.00 34.10 C ATOM 894 O MET A 59 -5.095 19.107 -12.363 1.00 72.43 O ATOM 895 CB MET A 59 -3.667 16.539 -12.469 1.00 15.31 C ATOM 896 CG MET A 59 -2.720 15.439 -12.920 1.00 41.41 C ATOM 897 SD MET A 59 -3.521 14.232 -13.993 1.00 64.24 S ATOM 898 CE MET A 59 -3.370 15.039 -15.585 1.00 20.54 C ATOM 0 H MET A 59 -1.948 17.464 -10.638 1.00 50.01 H new ATOM 0 HA MET A 59 -2.719 18.234 -13.391 1.00 70.43 H new ATOM 0 HB2 MET A 59 -4.071 16.281 -11.490 1.00 15.31 H new ATOM 0 HB3 MET A 59 -4.510 16.587 -13.159 1.00 15.31 H new ATOM 0 HG2 MET A 59 -1.876 15.884 -13.447 1.00 41.41 H new ATOM 0 HG3 MET A 59 -2.317 14.930 -12.044 1.00 41.41 H new ATOM 0 HE1 MET A 59 -3.821 14.413 -16.355 1.00 20.54 H new ATOM 0 HE2 MET A 59 -3.881 16.001 -15.555 1.00 20.54 H new ATOM 0 HE3 MET A 59 -2.316 15.195 -15.816 1.00 20.54 H new ATOM 908 N MET A 60 -3.606 19.607 -10.753 1.00 3.03 N ATOM 909 CA MET A 60 -4.459 20.607 -10.122 1.00 14.31 C ATOM 910 C MET A 60 -3.666 21.868 -9.790 1.00 63.52 C ATOM 911 O MET A 60 -2.520 22.020 -10.212 1.00 45.21 O ATOM 912 CB MET A 60 -5.093 20.040 -8.851 1.00 52.33 C ATOM 913 CG MET A 60 -5.830 18.729 -9.073 1.00 30.03 C ATOM 914 SD MET A 60 -7.478 18.967 -9.767 1.00 24.24 S ATOM 915 CE MET A 60 -7.663 17.462 -10.721 1.00 64.44 C ATOM 0 H MET A 60 -2.702 19.477 -10.299 1.00 3.03 H new ATOM 0 HA MET A 60 -5.248 20.870 -10.826 1.00 14.31 H new ATOM 0 HB2 MET A 60 -4.315 19.888 -8.103 1.00 52.33 H new ATOM 0 HB3 MET A 60 -5.788 20.774 -8.443 1.00 52.33 H new ATOM 0 HG2 MET A 60 -5.246 18.097 -9.742 1.00 30.03 H new ATOM 0 HG3 MET A 60 -5.913 18.198 -8.125 1.00 30.03 H new ATOM 0 HE1 MET A 60 -8.636 17.460 -11.212 1.00 64.44 H new ATOM 0 HE2 MET A 60 -6.876 17.409 -11.474 1.00 64.44 H new ATOM 0 HE3 MET A 60 -7.589 16.600 -10.058 1.00 64.44 H new ATOM 925 N VAL A 61 -4.283 22.767 -9.031 1.00 31.22 N ATOM 926 CA VAL A 61 -3.635 24.013 -8.641 1.00 5.34 C ATOM 927 C VAL A 61 -3.029 23.905 -7.246 1.00 33.34 C ATOM 928 O VAL A 61 -3.303 22.956 -6.510 1.00 71.11 O ATOM 929 CB VAL A 61 -4.623 25.194 -8.670 1.00 2.20 C ATOM 930 CG1 VAL A 61 -5.297 25.292 -10.030 1.00 74.41 C ATOM 931 CG2 VAL A 61 -5.656 25.051 -7.562 1.00 25.00 C ATOM 0 H VAL A 61 -5.232 22.656 -8.674 1.00 31.22 H new ATOM 0 HA VAL A 61 -2.841 24.196 -9.365 1.00 5.34 H new ATOM 0 HB VAL A 61 -4.067 26.116 -8.500 1.00 2.20 H new ATOM 0 HG11 VAL A 61 -5.992 26.132 -10.032 1.00 74.41 H new ATOM 0 HG12 VAL A 61 -4.541 25.444 -10.801 1.00 74.41 H new ATOM 0 HG13 VAL A 61 -5.842 24.370 -10.233 1.00 74.41 H new ATOM 0 HG21 VAL A 61 -6.346 25.894 -7.597 1.00 25.00 H new ATOM 0 HG22 VAL A 61 -6.210 24.122 -7.699 1.00 25.00 H new ATOM 0 HG23 VAL A 61 -5.153 25.034 -6.595 1.00 25.00 H new ATOM 941 N LYS A 62 -2.206 24.884 -6.885 1.00 54.04 N ATOM 942 CA LYS A 62 -1.564 24.902 -5.578 1.00 25.43 C ATOM 943 C LYS A 62 -2.601 24.853 -4.460 1.00 70.51 C ATOM 944 O LYS A 62 -2.602 23.952 -3.620 1.00 41.35 O ATOM 945 CB LYS A 62 -0.698 26.154 -5.429 1.00 1.21 C ATOM 946 CG LYS A 62 -0.541 26.618 -3.991 1.00 10.02 C ATOM 947 CD LYS A 62 0.100 25.546 -3.126 1.00 13.00 C ATOM 948 CE LYS A 62 1.558 25.328 -3.496 1.00 62.22 C ATOM 949 NZ LYS A 62 2.339 24.754 -2.365 1.00 54.35 N ATOM 0 H LYS A 62 -1.968 25.676 -7.482 1.00 54.04 H new ATOM 0 HA LYS A 62 -0.931 24.018 -5.501 1.00 25.43 H new ATOM 0 HB2 LYS A 62 0.289 25.955 -5.847 1.00 1.21 H new ATOM 0 HB3 LYS A 62 -1.136 26.961 -6.016 1.00 1.21 H new ATOM 0 HG2 LYS A 62 0.068 27.521 -3.964 1.00 10.02 H new ATOM 0 HG3 LYS A 62 -1.517 26.880 -3.584 1.00 10.02 H new ATOM 0 HD2 LYS A 62 0.029 25.833 -2.077 1.00 13.00 H new ATOM 0 HD3 LYS A 62 -0.448 24.611 -3.238 1.00 13.00 H new ATOM 0 HE2 LYS A 62 1.618 24.660 -4.355 1.00 62.22 H new ATOM 0 HE3 LYS A 62 2.001 26.277 -3.799 1.00 62.22 H new ATOM 0 HZ1 LYS A 62 3.328 24.621 -2.658 1.00 54.35 H new ATOM 0 HZ2 LYS A 62 2.303 25.403 -1.553 1.00 54.35 H new ATOM 0 HZ3 LYS A 62 1.932 23.837 -2.092 1.00 54.35 H new ATOM 963 N PRO A 63 -3.507 25.841 -4.449 1.00 74.25 N ATOM 964 CA PRO A 63 -4.568 25.931 -3.441 1.00 74.35 C ATOM 965 C PRO A 63 -5.618 24.837 -3.607 1.00 11.40 C ATOM 966 O PRO A 63 -6.820 25.104 -3.560 1.00 45.21 O ATOM 967 CB PRO A 63 -5.186 27.307 -3.698 1.00 5.50 C ATOM 968 CG PRO A 63 -4.893 27.593 -5.131 1.00 21.41 C ATOM 969 CD PRO A 63 -3.566 26.947 -5.420 1.00 71.31 C ATOM 0 HA PRO A 63 -4.181 25.804 -2.430 1.00 74.35 H new ATOM 0 HB2 PRO A 63 -6.259 27.301 -3.507 1.00 5.50 H new ATOM 0 HB3 PRO A 63 -4.751 28.064 -3.046 1.00 5.50 H new ATOM 0 HG2 PRO A 63 -5.673 27.189 -5.777 1.00 21.41 H new ATOM 0 HG3 PRO A 63 -4.852 28.667 -5.314 1.00 21.41 H new ATOM 0 HD2 PRO A 63 -3.511 26.584 -6.446 1.00 71.31 H new ATOM 0 HD3 PRO A 63 -2.741 27.646 -5.284 1.00 71.31 H new ATOM 977 N PHE A 64 -5.159 23.606 -3.800 1.00 21.04 N ATOM 978 CA PHE A 64 -6.059 22.472 -3.972 1.00 61.33 C ATOM 979 C PHE A 64 -5.299 21.153 -3.867 1.00 21.20 C ATOM 980 O PHE A 64 -5.610 20.311 -3.025 1.00 73.11 O ATOM 981 CB PHE A 64 -6.768 22.558 -5.325 1.00 11.14 C ATOM 982 CG PHE A 64 -7.666 21.387 -5.607 1.00 31.14 C ATOM 983 CD1 PHE A 64 -7.155 20.220 -6.152 1.00 41.52 C ATOM 984 CD2 PHE A 64 -9.022 21.453 -5.326 1.00 45.41 C ATOM 985 CE1 PHE A 64 -7.979 19.141 -6.411 1.00 52.43 C ATOM 986 CE2 PHE A 64 -9.850 20.377 -5.583 1.00 45.55 C ATOM 987 CZ PHE A 64 -9.329 19.220 -6.128 1.00 45.54 C ATOM 0 H PHE A 64 -4.168 23.368 -3.841 1.00 21.04 H new ATOM 0 HA PHE A 64 -6.803 22.507 -3.176 1.00 61.33 H new ATOM 0 HB2 PHE A 64 -7.357 23.474 -5.360 1.00 11.14 H new ATOM 0 HB3 PHE A 64 -6.020 22.630 -6.114 1.00 11.14 H new ATOM 0 HD1 PHE A 64 -6.101 20.153 -6.377 1.00 41.52 H new ATOM 0 HD2 PHE A 64 -9.436 22.356 -4.901 1.00 45.41 H new ATOM 0 HE1 PHE A 64 -7.568 18.237 -6.834 1.00 52.43 H new ATOM 0 HE2 PHE A 64 -10.904 20.441 -5.358 1.00 45.55 H new ATOM 0 HZ PHE A 64 -9.975 18.379 -6.332 1.00 45.54 H new ATOM 997 N GLU A 65 -4.301 20.981 -4.729 1.00 11.44 N ATOM 998 CA GLU A 65 -3.498 19.764 -4.733 1.00 1.22 C ATOM 999 C GLU A 65 -2.980 19.449 -3.333 1.00 33.13 C ATOM 1000 O GLU A 65 -3.068 18.311 -2.868 1.00 53.42 O ATOM 1001 CB GLU A 65 -2.322 19.907 -5.703 1.00 31.12 C ATOM 1002 CG GLU A 65 -1.348 18.742 -5.654 1.00 34.54 C ATOM 1003 CD GLU A 65 -0.178 18.919 -6.601 1.00 2.03 C ATOM 1004 OE1 GLU A 65 -0.413 19.277 -7.774 1.00 72.12 O ATOM 1005 OE2 GLU A 65 0.974 18.701 -6.169 1.00 2.12 O ATOM 0 H GLU A 65 -4.030 21.668 -5.432 1.00 11.44 H new ATOM 0 HA GLU A 65 -4.133 18.941 -5.060 1.00 1.22 H new ATOM 0 HB2 GLU A 65 -2.708 20.004 -6.718 1.00 31.12 H new ATOM 0 HB3 GLU A 65 -1.785 20.828 -5.477 1.00 31.12 H new ATOM 0 HG2 GLU A 65 -0.973 18.629 -4.637 1.00 34.54 H new ATOM 0 HG3 GLU A 65 -1.876 17.821 -5.903 1.00 34.54 H new ATOM 1012 N ASP A 66 -2.441 20.463 -2.666 1.00 22.22 N ATOM 1013 CA ASP A 66 -1.909 20.295 -1.318 1.00 30.43 C ATOM 1014 C ASP A 66 -2.948 19.656 -0.400 1.00 1.42 C ATOM 1015 O ASP A 66 -2.651 18.705 0.321 1.00 35.14 O ATOM 1016 CB ASP A 66 -1.467 21.644 -0.749 1.00 21.51 C ATOM 1017 CG ASP A 66 -0.793 21.509 0.603 1.00 72.25 C ATOM 1018 OD1 ASP A 66 -1.460 21.053 1.555 1.00 3.30 O ATOM 1019 OD2 ASP A 66 0.401 21.861 0.708 1.00 73.44 O ATOM 0 H ASP A 66 -2.361 21.410 -3.036 1.00 22.22 H new ATOM 0 HA ASP A 66 -1.045 19.634 -1.374 1.00 30.43 H new ATOM 0 HB2 ASP A 66 -0.781 22.123 -1.448 1.00 21.51 H new ATOM 0 HB3 ASP A 66 -2.334 22.298 -0.656 1.00 21.51 H new ATOM 1024 N ALA A 67 -4.165 20.189 -0.433 1.00 34.22 N ATOM 1025 CA ALA A 67 -5.247 19.671 0.395 1.00 13.41 C ATOM 1026 C ALA A 67 -6.162 18.753 -0.408 1.00 71.41 C ATOM 1027 O ALA A 67 -7.377 18.745 -0.211 1.00 74.14 O ATOM 1028 CB ALA A 67 -6.045 20.818 0.998 1.00 32.14 C ATOM 0 H ALA A 67 -4.426 20.979 -1.024 1.00 34.22 H new ATOM 0 HA ALA A 67 -4.806 19.086 1.202 1.00 13.41 H new ATOM 0 HB1 ALA A 67 -6.850 20.417 1.614 1.00 32.14 H new ATOM 0 HB2 ALA A 67 -5.389 21.433 1.614 1.00 32.14 H new ATOM 0 HB3 ALA A 67 -6.468 21.426 0.199 1.00 32.14 H new ATOM 1034 N ALA A 68 -5.570 17.981 -1.314 1.00 35.20 N ATOM 1035 CA ALA A 68 -6.333 17.057 -2.145 1.00 44.43 C ATOM 1036 C ALA A 68 -5.993 15.609 -1.811 1.00 55.23 C ATOM 1037 O ALA A 68 -6.772 14.698 -2.094 1.00 23.11 O ATOM 1038 CB ALA A 68 -6.071 17.336 -3.618 1.00 40.22 C ATOM 0 H ALA A 68 -4.565 17.977 -1.491 1.00 35.20 H new ATOM 0 HA ALA A 68 -7.392 17.210 -1.939 1.00 44.43 H new ATOM 0 HB1 ALA A 68 -6.646 16.640 -4.228 1.00 40.22 H new ATOM 0 HB2 ALA A 68 -6.370 18.357 -3.854 1.00 40.22 H new ATOM 0 HB3 ALA A 68 -5.009 17.211 -3.829 1.00 40.22 H new ATOM 1044 N PHE A 69 -4.827 15.404 -1.207 1.00 34.40 N ATOM 1045 CA PHE A 69 -4.385 14.065 -0.836 1.00 32.24 C ATOM 1046 C PHE A 69 -3.910 14.031 0.615 1.00 52.44 C ATOM 1047 O PHE A 69 -3.415 13.012 1.095 1.00 73.31 O ATOM 1048 CB PHE A 69 -3.260 13.600 -1.763 1.00 60.02 C ATOM 1049 CG PHE A 69 -2.246 14.668 -2.056 1.00 13.01 C ATOM 1050 CD1 PHE A 69 -1.522 15.255 -1.031 1.00 71.21 C ATOM 1051 CD2 PHE A 69 -2.017 15.086 -3.357 1.00 12.30 C ATOM 1052 CE1 PHE A 69 -0.587 16.238 -1.297 1.00 74.42 C ATOM 1053 CE2 PHE A 69 -1.083 16.068 -3.629 1.00 55.22 C ATOM 1054 CZ PHE A 69 -0.369 16.646 -2.598 1.00 63.15 C ATOM 0 H PHE A 69 -4.172 16.147 -0.964 1.00 34.40 H new ATOM 0 HA PHE A 69 -5.234 13.389 -0.939 1.00 32.24 H new ATOM 0 HB2 PHE A 69 -2.756 12.746 -1.310 1.00 60.02 H new ATOM 0 HB3 PHE A 69 -3.693 13.254 -2.701 1.00 60.02 H new ATOM 0 HD1 PHE A 69 -1.690 14.941 -0.011 1.00 71.21 H new ATOM 0 HD2 PHE A 69 -2.574 14.640 -4.167 1.00 12.30 H new ATOM 0 HE1 PHE A 69 -0.028 16.686 -0.489 1.00 74.42 H new ATOM 0 HE2 PHE A 69 -0.912 16.383 -4.648 1.00 55.22 H new ATOM 0 HZ PHE A 69 0.359 17.416 -2.809 1.00 63.15 H new ATOM 1064 N LYS A 70 -4.063 15.155 1.307 1.00 51.54 N ATOM 1065 CA LYS A 70 -3.651 15.258 2.701 1.00 33.31 C ATOM 1066 C LYS A 70 -4.818 14.956 3.637 1.00 62.03 C ATOM 1067 O LYS A 70 -4.680 15.019 4.859 1.00 0.50 O ATOM 1068 CB LYS A 70 -3.101 16.656 2.991 1.00 14.23 C ATOM 1069 CG LYS A 70 -4.171 17.663 3.378 1.00 41.43 C ATOM 1070 CD LYS A 70 -3.608 19.072 3.459 1.00 22.22 C ATOM 1071 CE LYS A 70 -2.441 19.151 4.431 1.00 32.20 C ATOM 1072 NZ LYS A 70 -2.620 20.246 5.425 1.00 62.43 N ATOM 0 H LYS A 70 -4.470 16.008 0.924 1.00 51.54 H new ATOM 0 HA LYS A 70 -2.866 14.522 2.876 1.00 33.31 H new ATOM 0 HB2 LYS A 70 -2.369 16.589 3.796 1.00 14.23 H new ATOM 0 HB3 LYS A 70 -2.574 17.020 2.109 1.00 14.23 H new ATOM 0 HG2 LYS A 70 -4.980 17.635 2.648 1.00 41.43 H new ATOM 0 HG3 LYS A 70 -4.601 17.386 4.341 1.00 41.43 H new ATOM 0 HD2 LYS A 70 -3.281 19.392 2.470 1.00 22.22 H new ATOM 0 HD3 LYS A 70 -4.392 19.761 3.774 1.00 22.22 H new ATOM 0 HE2 LYS A 70 -2.338 18.200 4.953 1.00 32.20 H new ATOM 0 HE3 LYS A 70 -1.517 19.312 3.876 1.00 32.20 H new ATOM 0 HZ1 LYS A 70 -1.804 20.267 6.069 1.00 62.43 H new ATOM 0 HZ2 LYS A 70 -2.693 21.157 4.929 1.00 62.43 H new ATOM 0 HZ3 LYS A 70 -3.489 20.080 5.972 1.00 62.43 H new ATOM 1086 N LEU A 71 -5.966 14.625 3.056 1.00 62.03 N ATOM 1087 CA LEU A 71 -7.157 14.311 3.837 1.00 11.50 C ATOM 1088 C LEU A 71 -7.174 12.839 4.236 1.00 24.02 C ATOM 1089 O LEU A 71 -6.231 12.100 3.956 1.00 63.14 O ATOM 1090 CB LEU A 71 -8.418 14.649 3.040 1.00 42.32 C ATOM 1091 CG LEU A 71 -8.336 15.890 2.150 1.00 75.13 C ATOM 1092 CD1 LEU A 71 -9.538 15.960 1.221 1.00 14.21 C ATOM 1093 CD2 LEU A 71 -8.241 17.150 2.998 1.00 2.40 C ATOM 0 H LEU A 71 -6.097 14.567 2.046 1.00 62.03 H new ATOM 0 HA LEU A 71 -7.135 14.915 4.744 1.00 11.50 H new ATOM 0 HB2 LEU A 71 -8.668 13.793 2.414 1.00 42.32 H new ATOM 0 HB3 LEU A 71 -9.242 14.783 3.741 1.00 42.32 H new ATOM 0 HG LEU A 71 -7.435 15.818 1.541 1.00 75.13 H new ATOM 0 HD11 LEU A 71 -9.463 16.849 0.595 1.00 14.21 H new ATOM 0 HD12 LEU A 71 -9.561 15.072 0.589 1.00 14.21 H new ATOM 0 HD13 LEU A 71 -10.452 16.009 1.812 1.00 14.21 H new ATOM 0 HD21 LEU A 71 -8.183 18.023 2.348 1.00 2.40 H new ATOM 0 HD22 LEU A 71 -9.123 17.228 3.633 1.00 2.40 H new ATOM 0 HD23 LEU A 71 -7.348 17.103 3.621 1.00 2.40 H new ATOM 1105 N GLN A 72 -8.252 12.421 4.890 1.00 75.25 N ATOM 1106 CA GLN A 72 -8.392 11.036 5.325 1.00 35.03 C ATOM 1107 C GLN A 72 -9.425 10.300 4.479 1.00 52.33 C ATOM 1108 O GLN A 72 -10.172 10.916 3.718 1.00 13.12 O ATOM 1109 CB GLN A 72 -8.793 10.981 6.800 1.00 11.43 C ATOM 1110 CG GLN A 72 -7.934 10.040 7.629 1.00 12.34 C ATOM 1111 CD GLN A 72 -8.209 10.156 9.116 1.00 13.22 C ATOM 1112 OE1 GLN A 72 -9.233 10.702 9.529 1.00 20.14 O ATOM 1113 NE2 GLN A 72 -7.293 9.643 9.930 1.00 55.12 N ATOM 0 H GLN A 72 -9.041 13.021 5.131 1.00 75.25 H new ATOM 0 HA GLN A 72 -7.428 10.544 5.198 1.00 35.03 H new ATOM 0 HB2 GLN A 72 -8.731 11.984 7.223 1.00 11.43 H new ATOM 0 HB3 GLN A 72 -9.835 10.668 6.873 1.00 11.43 H new ATOM 0 HG2 GLN A 72 -8.114 9.014 7.309 1.00 12.34 H new ATOM 0 HG3 GLN A 72 -6.882 10.253 7.440 1.00 12.34 H new ATOM 0 HE21 GLN A 72 -6.459 9.199 9.545 1.00 55.12 H new ATOM 0 HE22 GLN A 72 -7.423 9.693 10.940 1.00 55.12 H new ATOM 1122 N VAL A 73 -9.462 8.979 4.614 1.00 62.32 N ATOM 1123 CA VAL A 73 -10.403 8.159 3.862 1.00 33.22 C ATOM 1124 C VAL A 73 -11.843 8.569 4.151 1.00 51.51 C ATOM 1125 O VAL A 73 -12.430 8.153 5.149 1.00 23.04 O ATOM 1126 CB VAL A 73 -10.232 6.663 4.190 1.00 42.45 C ATOM 1127 CG1 VAL A 73 -10.197 6.447 5.694 1.00 0.13 C ATOM 1128 CG2 VAL A 73 -11.346 5.847 3.551 1.00 0.34 C ATOM 0 H VAL A 73 -8.850 8.453 5.238 1.00 62.32 H new ATOM 0 HA VAL A 73 -10.187 8.319 2.806 1.00 33.22 H new ATOM 0 HB VAL A 73 -9.282 6.324 3.777 1.00 42.45 H new ATOM 0 HG11 VAL A 73 -10.076 5.385 5.906 1.00 0.13 H new ATOM 0 HG12 VAL A 73 -9.361 7.000 6.122 1.00 0.13 H new ATOM 0 HG13 VAL A 73 -11.129 6.801 6.134 1.00 0.13 H new ATOM 0 HG21 VAL A 73 -11.210 4.793 3.793 1.00 0.34 H new ATOM 0 HG22 VAL A 73 -12.309 6.185 3.932 1.00 0.34 H new ATOM 0 HG23 VAL A 73 -11.318 5.978 2.469 1.00 0.34 H new ATOM 1138 N GLY A 74 -12.408 9.388 3.269 1.00 44.35 N ATOM 1139 CA GLY A 74 -13.774 9.842 3.447 1.00 13.21 C ATOM 1140 C GLY A 74 -13.864 11.094 4.298 1.00 71.44 C ATOM 1141 O GLY A 74 -14.892 11.356 4.921 1.00 74.24 O ATOM 0 H GLY A 74 -11.943 9.745 2.434 1.00 44.35 H new ATOM 0 HA2 GLY A 74 -14.219 10.037 2.471 1.00 13.21 H new ATOM 0 HA3 GLY A 74 -14.360 9.048 3.911 1.00 13.21 H new ATOM 1145 N GLU A 75 -12.783 11.867 4.326 1.00 23.12 N ATOM 1146 CA GLU A 75 -12.744 13.096 5.109 1.00 14.30 C ATOM 1147 C GLU A 75 -12.810 14.321 4.203 1.00 55.33 C ATOM 1148 O GLU A 75 -12.124 14.390 3.182 1.00 12.33 O ATOM 1149 CB GLU A 75 -11.474 13.145 5.960 1.00 20.22 C ATOM 1150 CG GLU A 75 -11.728 13.502 7.415 1.00 42.23 C ATOM 1151 CD GLU A 75 -12.443 12.400 8.170 1.00 71.14 C ATOM 1152 OE1 GLU A 75 -12.398 11.240 7.709 1.00 32.23 O ATOM 1153 OE2 GLU A 75 -13.048 12.696 9.222 1.00 74.45 O ATOM 0 H GLU A 75 -11.923 11.664 3.816 1.00 23.12 H new ATOM 0 HA GLU A 75 -13.613 13.105 5.766 1.00 14.30 H new ATOM 0 HB2 GLU A 75 -10.979 12.175 5.914 1.00 20.22 H new ATOM 0 HB3 GLU A 75 -10.787 13.874 5.531 1.00 20.22 H new ATOM 0 HG2 GLU A 75 -10.777 13.715 7.904 1.00 42.23 H new ATOM 0 HG3 GLU A 75 -12.322 14.415 7.463 1.00 42.23 H new ATOM 1160 N VAL A 76 -13.642 15.287 4.582 1.00 41.11 N ATOM 1161 CA VAL A 76 -13.798 16.510 3.804 1.00 2.52 C ATOM 1162 C VAL A 76 -12.734 17.537 4.176 1.00 63.13 C ATOM 1163 O VAL A 76 -12.432 17.736 5.352 1.00 61.43 O ATOM 1164 CB VAL A 76 -15.191 17.134 4.012 1.00 73.15 C ATOM 1165 CG1 VAL A 76 -15.350 18.382 3.158 1.00 44.22 C ATOM 1166 CG2 VAL A 76 -16.280 16.120 3.696 1.00 71.24 C ATOM 0 H VAL A 76 -14.218 15.246 5.423 1.00 41.11 H new ATOM 0 HA VAL A 76 -13.684 16.235 2.756 1.00 2.52 H new ATOM 0 HB VAL A 76 -15.288 17.424 5.058 1.00 73.15 H new ATOM 0 HG11 VAL A 76 -16.340 18.809 3.318 1.00 44.22 H new ATOM 0 HG12 VAL A 76 -14.590 19.113 3.436 1.00 44.22 H new ATOM 0 HG13 VAL A 76 -15.234 18.120 2.106 1.00 44.22 H new ATOM 0 HG21 VAL A 76 -17.258 16.577 3.848 1.00 71.24 H new ATOM 0 HG22 VAL A 76 -16.187 15.798 2.659 1.00 71.24 H new ATOM 0 HG23 VAL A 76 -16.176 15.258 4.354 1.00 71.24 H new ATOM 1176 N SER A 77 -12.168 18.188 3.163 1.00 33.22 N ATOM 1177 CA SER A 77 -11.135 19.192 3.383 1.00 51.42 C ATOM 1178 C SER A 77 -11.749 20.517 3.827 1.00 73.05 C ATOM 1179 O SER A 77 -12.932 20.583 4.160 1.00 24.04 O ATOM 1180 CB SER A 77 -10.315 19.399 2.107 1.00 11.13 C ATOM 1181 OG SER A 77 -9.076 20.024 2.393 1.00 23.21 O ATOM 0 H SER A 77 -12.408 18.037 2.183 1.00 33.22 H new ATOM 0 HA SER A 77 -10.478 18.833 4.175 1.00 51.42 H new ATOM 0 HB2 SER A 77 -10.138 18.438 1.625 1.00 11.13 H new ATOM 0 HB3 SER A 77 -10.880 20.010 1.403 1.00 11.13 H new ATOM 0 HG SER A 77 -8.948 20.787 1.792 1.00 23.21 H new ATOM 1187 N GLU A 78 -10.937 21.570 3.826 1.00 22.42 N ATOM 1188 CA GLU A 78 -11.401 22.891 4.229 1.00 2.52 C ATOM 1189 C GLU A 78 -11.654 23.774 3.009 1.00 22.32 C ATOM 1190 O GLU A 78 -11.161 23.516 1.911 1.00 34.21 O ATOM 1191 CB GLU A 78 -10.376 23.558 5.149 1.00 32.43 C ATOM 1192 CG GLU A 78 -8.935 23.296 4.746 1.00 45.54 C ATOM 1193 CD GLU A 78 -8.306 22.160 5.528 1.00 30.40 C ATOM 1194 OE1 GLU A 78 -9.059 21.388 6.160 1.00 3.52 O ATOM 1195 OE2 GLU A 78 -7.064 22.040 5.508 1.00 44.35 O ATOM 0 H GLU A 78 -9.956 21.533 3.551 1.00 22.42 H new ATOM 0 HA GLU A 78 -12.339 22.769 4.770 1.00 2.52 H new ATOM 0 HB2 GLU A 78 -10.553 24.634 5.156 1.00 32.43 H new ATOM 0 HB3 GLU A 78 -10.530 23.203 6.168 1.00 32.43 H new ATOM 0 HG2 GLU A 78 -8.896 23.064 3.682 1.00 45.54 H new ATOM 0 HG3 GLU A 78 -8.349 24.203 4.896 1.00 45.54 H new ATOM 1202 N PRO A 79 -12.442 24.841 3.206 1.00 12.51 N ATOM 1203 CA PRO A 79 -12.780 25.784 2.135 1.00 44.11 C ATOM 1204 C PRO A 79 -11.582 26.625 1.705 1.00 70.34 C ATOM 1205 O PRO A 79 -11.383 27.736 2.195 1.00 25.32 O ATOM 1206 CB PRO A 79 -13.854 26.671 2.769 1.00 74.24 C ATOM 1207 CG PRO A 79 -13.593 26.595 4.233 1.00 33.01 C ATOM 1208 CD PRO A 79 -13.064 25.211 4.489 1.00 42.43 C ATOM 0 HA PRO A 79 -13.109 25.273 1.230 1.00 44.11 H new ATOM 0 HB2 PRO A 79 -13.784 27.697 2.407 1.00 74.24 H new ATOM 0 HB3 PRO A 79 -14.855 26.315 2.526 1.00 74.24 H new ATOM 0 HG2 PRO A 79 -12.871 27.352 4.540 1.00 33.01 H new ATOM 0 HG3 PRO A 79 -14.505 26.775 4.802 1.00 33.01 H new ATOM 0 HD2 PRO A 79 -12.340 25.202 5.304 1.00 42.43 H new ATOM 0 HD3 PRO A 79 -13.861 24.520 4.763 1.00 42.43 H new ATOM 1216 N ILE A 80 -10.788 26.087 0.784 1.00 52.53 N ATOM 1217 CA ILE A 80 -9.612 26.789 0.286 1.00 2.20 C ATOM 1218 C ILE A 80 -9.999 27.866 -0.721 1.00 12.12 C ATOM 1219 O ILE A 80 -10.418 27.565 -1.840 1.00 10.34 O ATOM 1220 CB ILE A 80 -8.615 25.819 -0.374 1.00 44.15 C ATOM 1221 CG1 ILE A 80 -8.365 24.614 0.534 1.00 23.21 C ATOM 1222 CG2 ILE A 80 -7.309 26.533 -0.688 1.00 51.12 C ATOM 1223 CD1 ILE A 80 -7.650 24.965 1.820 1.00 25.32 C ATOM 0 H ILE A 80 -10.938 25.168 0.368 1.00 52.53 H new ATOM 0 HA ILE A 80 -9.136 27.256 1.148 1.00 2.20 H new ATOM 0 HB ILE A 80 -9.045 25.462 -1.310 1.00 44.15 H new ATOM 0 HG12 ILE A 80 -9.320 24.146 0.775 1.00 23.21 H new ATOM 0 HG13 ILE A 80 -7.776 23.875 -0.010 1.00 23.21 H new ATOM 0 HG21 ILE A 80 -6.615 25.834 -1.154 1.00 51.12 H new ATOM 0 HG22 ILE A 80 -7.502 27.361 -1.370 1.00 51.12 H new ATOM 0 HG23 ILE A 80 -6.873 26.916 0.235 1.00 51.12 H new ATOM 0 HD11 ILE A 80 -7.506 24.063 2.414 1.00 25.32 H new ATOM 0 HD12 ILE A 80 -6.680 25.405 1.589 1.00 25.32 H new ATOM 0 HD13 ILE A 80 -8.248 25.680 2.385 1.00 25.32 H new ATOM 1235 N LYS A 81 -9.857 29.124 -0.319 1.00 3.41 N ATOM 1236 CA LYS A 81 -10.189 30.248 -1.186 1.00 3.34 C ATOM 1237 C LYS A 81 -9.138 30.421 -2.278 1.00 54.23 C ATOM 1238 O LYS A 81 -7.988 30.761 -2.000 1.00 34.23 O ATOM 1239 CB LYS A 81 -10.302 31.536 -0.366 1.00 32.33 C ATOM 1240 CG LYS A 81 -10.662 32.755 -1.196 1.00 50.34 C ATOM 1241 CD LYS A 81 -11.994 33.349 -0.767 1.00 71.31 C ATOM 1242 CE LYS A 81 -11.809 34.431 0.285 1.00 4.33 C ATOM 1243 NZ LYS A 81 -12.967 35.366 0.329 1.00 1.23 N ATOM 0 H LYS A 81 -9.514 29.391 0.604 1.00 3.41 H new ATOM 0 HA LYS A 81 -11.149 30.039 -1.658 1.00 3.34 H new ATOM 0 HB2 LYS A 81 -11.056 31.399 0.409 1.00 32.33 H new ATOM 0 HB3 LYS A 81 -9.354 31.719 0.141 1.00 32.33 H new ATOM 0 HG2 LYS A 81 -9.879 33.507 -1.098 1.00 50.34 H new ATOM 0 HG3 LYS A 81 -10.708 32.478 -2.249 1.00 50.34 H new ATOM 0 HD2 LYS A 81 -12.503 33.767 -1.635 1.00 71.31 H new ATOM 0 HD3 LYS A 81 -12.634 32.561 -0.371 1.00 71.31 H new ATOM 0 HE2 LYS A 81 -11.679 33.968 1.263 1.00 4.33 H new ATOM 0 HE3 LYS A 81 -10.898 34.991 0.074 1.00 4.33 H new ATOM 0 HZ1 LYS A 81 -12.802 36.089 1.059 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 -13.076 35.827 -0.597 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 -13.833 34.836 0.556 1.00 1.23 H new ATOM 1257 N SER A 82 -9.542 30.185 -3.523 1.00 25.40 N ATOM 1258 CA SER A 82 -8.634 30.312 -4.657 1.00 73.33 C ATOM 1259 C SER A 82 -9.269 31.139 -5.771 1.00 30.20 C ATOM 1260 O SER A 82 -10.345 31.711 -5.597 1.00 70.44 O ATOM 1261 CB SER A 82 -8.252 28.930 -5.189 1.00 24.40 C ATOM 1262 OG SER A 82 -8.349 27.948 -4.172 1.00 31.43 O ATOM 0 H SER A 82 -10.491 29.905 -3.771 1.00 25.40 H new ATOM 0 HA SER A 82 -7.734 30.824 -4.315 1.00 73.33 H new ATOM 0 HB2 SER A 82 -8.905 28.663 -6.020 1.00 24.40 H new ATOM 0 HB3 SER A 82 -7.234 28.955 -5.579 1.00 24.40 H new ATOM 0 HG SER A 82 -8.148 27.066 -4.549 1.00 31.43 H new ATOM 1268 N GLU A 83 -8.595 31.197 -6.915 1.00 5.44 N ATOM 1269 CA GLU A 83 -9.092 31.955 -8.057 1.00 11.14 C ATOM 1270 C GLU A 83 -10.474 31.461 -8.477 1.00 5.20 C ATOM 1271 O GLU A 83 -11.248 32.196 -9.092 1.00 65.33 O ATOM 1272 CB GLU A 83 -8.120 31.846 -9.233 1.00 70.11 C ATOM 1273 CG GLU A 83 -7.917 30.422 -9.724 1.00 64.03 C ATOM 1274 CD GLU A 83 -6.733 30.293 -10.664 1.00 33.01 C ATOM 1275 OE1 GLU A 83 -6.607 31.136 -11.577 1.00 64.12 O ATOM 1276 OE2 GLU A 83 -5.934 29.349 -10.486 1.00 50.25 O ATOM 0 H GLU A 83 -7.703 30.728 -7.076 1.00 5.44 H new ATOM 0 HA GLU A 83 -9.173 33.000 -7.759 1.00 11.14 H new ATOM 0 HB2 GLU A 83 -8.490 32.456 -10.057 1.00 70.11 H new ATOM 0 HB3 GLU A 83 -7.156 32.260 -8.937 1.00 70.11 H new ATOM 0 HG2 GLU A 83 -7.770 29.764 -8.868 1.00 64.03 H new ATOM 0 HG3 GLU A 83 -8.820 30.085 -10.234 1.00 64.03 H new ATOM 1283 N PHE A 84 -10.776 30.211 -8.142 1.00 13.10 N ATOM 1284 CA PHE A 84 -12.063 29.618 -8.485 1.00 72.34 C ATOM 1285 C PHE A 84 -13.030 29.697 -7.308 1.00 21.33 C ATOM 1286 O PHE A 84 -14.243 29.585 -7.478 1.00 62.42 O ATOM 1287 CB PHE A 84 -11.879 28.160 -8.911 1.00 64.14 C ATOM 1288 CG PHE A 84 -10.782 27.964 -9.919 1.00 53.14 C ATOM 1289 CD1 PHE A 84 -10.809 28.637 -11.131 1.00 23.22 C ATOM 1290 CD2 PHE A 84 -9.727 27.105 -9.657 1.00 53.52 C ATOM 1291 CE1 PHE A 84 -9.802 28.460 -12.061 1.00 30.10 C ATOM 1292 CE2 PHE A 84 -8.718 26.924 -10.583 1.00 64.14 C ATOM 1293 CZ PHE A 84 -8.755 27.601 -11.787 1.00 31.13 C ATOM 0 H PHE A 84 -10.147 29.589 -7.634 1.00 13.10 H new ATOM 0 HA PHE A 84 -12.484 30.182 -9.317 1.00 72.34 H new ATOM 0 HB2 PHE A 84 -11.663 27.557 -8.029 1.00 64.14 H new ATOM 0 HB3 PHE A 84 -12.816 27.791 -9.329 1.00 64.14 H new ATOM 0 HD1 PHE A 84 -11.627 29.307 -11.351 1.00 23.22 H new ATOM 0 HD2 PHE A 84 -9.693 26.571 -8.719 1.00 53.52 H new ATOM 0 HE1 PHE A 84 -9.833 28.992 -13.000 1.00 30.10 H new ATOM 0 HE2 PHE A 84 -7.900 26.253 -10.366 1.00 64.14 H new ATOM 0 HZ PHE A 84 -7.967 27.459 -12.512 1.00 31.13 H new ATOM 1303 N GLY A 85 -12.483 29.890 -6.112 1.00 4.40 N ATOM 1304 CA GLY A 85 -13.310 29.981 -4.923 1.00 65.03 C ATOM 1305 C GLY A 85 -12.939 28.947 -3.878 1.00 64.12 C ATOM 1306 O GLY A 85 -11.817 28.442 -3.866 1.00 5.22 O ATOM 0 H GLY A 85 -11.481 29.985 -5.945 1.00 4.40 H new ATOM 0 HA2 GLY A 85 -13.214 30.978 -4.493 1.00 65.03 H new ATOM 0 HA3 GLY A 85 -14.356 29.853 -5.201 1.00 65.03 H new ATOM 1310 N TYR A 86 -13.883 28.631 -2.999 1.00 71.03 N ATOM 1311 CA TYR A 86 -13.649 27.653 -1.944 1.00 14.51 C ATOM 1312 C TYR A 86 -13.671 26.234 -2.501 1.00 31.02 C ATOM 1313 O TYR A 86 -14.675 25.789 -3.059 1.00 61.42 O ATOM 1314 CB TYR A 86 -14.702 27.798 -0.842 1.00 45.25 C ATOM 1315 CG TYR A 86 -14.630 29.116 -0.106 1.00 33.13 C ATOM 1316 CD1 TYR A 86 -13.480 29.490 0.580 1.00 74.45 C ATOM 1317 CD2 TYR A 86 -15.711 29.988 -0.095 1.00 74.11 C ATOM 1318 CE1 TYR A 86 -13.411 30.693 1.255 1.00 41.52 C ATOM 1319 CE2 TYR A 86 -15.650 31.193 0.576 1.00 14.54 C ATOM 1320 CZ TYR A 86 -14.499 31.542 1.250 1.00 23.02 C ATOM 1321 OH TYR A 86 -14.433 32.742 1.921 1.00 70.24 O ATOM 0 H TYR A 86 -14.818 29.038 -2.996 1.00 71.03 H new ATOM 0 HA TYR A 86 -12.662 27.842 -1.521 1.00 14.51 H new ATOM 0 HB2 TYR A 86 -15.693 27.691 -1.282 1.00 45.25 H new ATOM 0 HB3 TYR A 86 -14.581 26.985 -0.126 1.00 45.25 H new ATOM 0 HD1 TYR A 86 -12.626 28.829 0.585 1.00 74.45 H new ATOM 0 HD2 TYR A 86 -16.615 29.719 -0.621 1.00 74.11 H new ATOM 0 HE1 TYR A 86 -12.510 30.968 1.784 1.00 41.52 H new ATOM 0 HE2 TYR A 86 -16.500 31.859 0.573 1.00 14.54 H new ATOM 0 HH TYR A 86 -15.281 33.222 1.818 1.00 70.24 H new ATOM 1331 N HIS A 87 -12.557 25.526 -2.345 1.00 3.12 N ATOM 1332 CA HIS A 87 -12.447 24.155 -2.830 1.00 72.04 C ATOM 1333 C HIS A 87 -12.692 23.157 -1.703 1.00 13.14 C ATOM 1334 O HIS A 87 -12.027 23.202 -0.667 1.00 30.21 O ATOM 1335 CB HIS A 87 -11.068 23.919 -3.446 1.00 70.35 C ATOM 1336 CG HIS A 87 -10.880 24.594 -4.769 1.00 65.22 C ATOM 1337 ND1 HIS A 87 -11.037 23.945 -5.976 1.00 23.44 N ATOM 1338 CD2 HIS A 87 -10.545 25.870 -5.072 1.00 50.32 C ATOM 1339 CE1 HIS A 87 -10.806 24.791 -6.962 1.00 54.14 C ATOM 1340 NE2 HIS A 87 -10.507 25.967 -6.442 1.00 2.31 N ATOM 0 H HIS A 87 -11.717 25.879 -1.886 1.00 3.12 H new ATOM 0 HA HIS A 87 -13.209 24.005 -3.595 1.00 72.04 H new ATOM 0 HB2 HIS A 87 -10.304 24.275 -2.754 1.00 70.35 H new ATOM 0 HB3 HIS A 87 -10.913 22.847 -3.569 1.00 70.35 H new ATOM 0 HD1 HIS A 87 -11.292 22.964 -6.089 1.00 23.44 H new ATOM 0 HD2 HIS A 87 -10.345 26.664 -4.368 1.00 50.32 H new ATOM 0 HE1 HIS A 87 -10.854 24.560 -8.016 1.00 54.14 H new ATOM 1348 N ILE A 88 -13.649 22.260 -1.910 1.00 34.14 N ATOM 1349 CA ILE A 88 -13.981 21.252 -0.910 1.00 63.42 C ATOM 1350 C ILE A 88 -13.618 19.853 -1.399 1.00 54.51 C ATOM 1351 O ILE A 88 -14.457 19.142 -1.952 1.00 71.24 O ATOM 1352 CB ILE A 88 -15.478 21.286 -0.551 1.00 42.54 C ATOM 1353 CG1 ILE A 88 -15.872 22.674 -0.040 1.00 65.13 C ATOM 1354 CG2 ILE A 88 -15.797 20.223 0.490 1.00 73.35 C ATOM 1355 CD1 ILE A 88 -15.085 23.116 1.175 1.00 71.14 C ATOM 0 H ILE A 88 -14.209 22.210 -2.761 1.00 34.14 H new ATOM 0 HA ILE A 88 -13.398 21.486 -0.020 1.00 63.42 H new ATOM 0 HB ILE A 88 -16.057 21.073 -1.450 1.00 42.54 H new ATOM 0 HG12 ILE A 88 -15.729 23.401 -0.840 1.00 65.13 H new ATOM 0 HG13 ILE A 88 -16.934 22.674 0.205 1.00 65.13 H new ATOM 0 HG21 ILE A 88 -16.859 20.259 0.734 1.00 73.35 H new ATOM 0 HG22 ILE A 88 -15.549 19.239 0.093 1.00 73.35 H new ATOM 0 HG23 ILE A 88 -15.212 20.408 1.391 1.00 73.35 H new ATOM 0 HD11 ILE A 88 -15.417 24.108 1.482 1.00 71.14 H new ATOM 0 HD12 ILE A 88 -15.247 22.410 1.990 1.00 71.14 H new ATOM 0 HD13 ILE A 88 -14.024 23.148 0.929 1.00 71.14 H new ATOM 1367 N ILE A 89 -12.365 19.466 -1.189 1.00 12.11 N ATOM 1368 CA ILE A 89 -11.893 18.151 -1.605 1.00 44.15 C ATOM 1369 C ILE A 89 -12.292 17.079 -0.597 1.00 34.42 C ATOM 1370 O ILE A 89 -12.112 17.247 0.609 1.00 72.31 O ATOM 1371 CB ILE A 89 -10.363 18.132 -1.779 1.00 20.13 C ATOM 1372 CG1 ILE A 89 -9.901 19.364 -2.558 1.00 44.33 C ATOM 1373 CG2 ILE A 89 -9.927 16.857 -2.485 1.00 3.52 C ATOM 1374 CD1 ILE A 89 -9.254 20.421 -1.691 1.00 4.11 C ATOM 0 H ILE A 89 -11.658 20.044 -0.734 1.00 12.11 H new ATOM 0 HA ILE A 89 -12.363 17.936 -2.565 1.00 44.15 H new ATOM 0 HB ILE A 89 -9.899 18.155 -0.793 1.00 20.13 H new ATOM 0 HG12 ILE A 89 -9.193 19.053 -3.327 1.00 44.33 H new ATOM 0 HG13 ILE A 89 -10.757 19.801 -3.071 1.00 44.33 H new ATOM 0 HG21 ILE A 89 -8.843 16.858 -2.601 1.00 3.52 H new ATOM 0 HG22 ILE A 89 -10.228 15.992 -1.893 1.00 3.52 H new ATOM 0 HG23 ILE A 89 -10.397 16.806 -3.467 1.00 3.52 H new ATOM 0 HD11 ILE A 89 -8.952 21.265 -2.311 1.00 4.11 H new ATOM 0 HD12 ILE A 89 -9.966 20.760 -0.939 1.00 4.11 H new ATOM 0 HD13 ILE A 89 -8.378 20.001 -1.198 1.00 4.11 H new ATOM 1386 N LYS A 90 -12.835 15.975 -1.100 1.00 35.14 N ATOM 1387 CA LYS A 90 -13.258 14.873 -0.245 1.00 71.42 C ATOM 1388 C LYS A 90 -12.770 13.537 -0.797 1.00 62.05 C ATOM 1389 O LYS A 90 -13.125 13.148 -1.910 1.00 40.45 O ATOM 1390 CB LYS A 90 -14.784 14.856 -0.116 1.00 4.22 C ATOM 1391 CG LYS A 90 -15.304 13.759 0.797 1.00 54.32 C ATOM 1392 CD LYS A 90 -16.792 13.526 0.595 1.00 52.23 C ATOM 1393 CE LYS A 90 -17.224 12.175 1.143 1.00 11.31 C ATOM 1394 NZ LYS A 90 -18.699 11.989 1.062 1.00 61.32 N ATOM 0 H LYS A 90 -12.992 15.820 -2.096 1.00 35.14 H new ATOM 0 HA LYS A 90 -12.817 15.022 0.741 1.00 71.42 H new ATOM 0 HB2 LYS A 90 -15.119 15.822 0.262 1.00 4.22 H new ATOM 0 HB3 LYS A 90 -15.223 14.732 -1.106 1.00 4.22 H new ATOM 0 HG2 LYS A 90 -14.760 12.834 0.603 1.00 54.32 H new ATOM 0 HG3 LYS A 90 -15.114 14.028 1.836 1.00 54.32 H new ATOM 0 HD2 LYS A 90 -17.356 14.317 1.089 1.00 52.23 H new ATOM 0 HD3 LYS A 90 -17.029 13.582 -0.467 1.00 52.23 H new ATOM 0 HE2 LYS A 90 -16.727 11.381 0.585 1.00 11.31 H new ATOM 0 HE3 LYS A 90 -16.903 12.085 2.181 1.00 11.31 H new ATOM 0 HZ1 LYS A 90 -18.996 11.268 1.750 1.00 61.32 H new ATOM 0 HZ2 LYS A 90 -19.175 12.889 1.275 1.00 61.32 H new ATOM 0 HZ3 LYS A 90 -18.958 11.680 0.103 1.00 61.32 H new ATOM 1408 N ARG A 91 -11.955 12.839 -0.013 1.00 72.15 N ATOM 1409 CA ARG A 91 -11.418 11.548 -0.425 1.00 75.23 C ATOM 1410 C ARG A 91 -12.517 10.490 -0.463 1.00 55.11 C ATOM 1411 O ARG A 91 -13.428 10.495 0.367 1.00 22.21 O ATOM 1412 CB ARG A 91 -10.304 11.108 0.526 1.00 34.12 C ATOM 1413 CG ARG A 91 -9.551 9.875 0.053 1.00 14.24 C ATOM 1414 CD ARG A 91 -8.095 9.912 0.490 1.00 62.23 C ATOM 1415 NE ARG A 91 -7.298 8.885 -0.178 1.00 20.03 N ATOM 1416 CZ ARG A 91 -7.388 7.590 0.100 1.00 24.43 C ATOM 1417 NH1 ARG A 91 -8.235 7.164 1.027 1.00 75.05 N ATOM 1418 NH2 ARG A 91 -6.629 6.716 -0.550 1.00 74.02 N ATOM 0 H ARG A 91 -11.652 13.146 0.911 1.00 72.15 H new ATOM 0 HA ARG A 91 -11.007 11.657 -1.429 1.00 75.23 H new ATOM 0 HB2 ARG A 91 -9.598 11.929 0.650 1.00 34.12 H new ATOM 0 HB3 ARG A 91 -10.734 10.907 1.507 1.00 34.12 H new ATOM 0 HG2 ARG A 91 -10.029 8.980 0.451 1.00 14.24 H new ATOM 0 HG3 ARG A 91 -9.605 9.809 -1.034 1.00 14.24 H new ATOM 0 HD2 ARG A 91 -7.676 10.895 0.273 1.00 62.23 H new ATOM 0 HD3 ARG A 91 -8.036 9.772 1.569 1.00 62.23 H new ATOM 0 HE ARG A 91 -6.637 9.179 -0.897 1.00 20.03 H new ATOM 0 HH11 ARG A 91 -8.820 7.832 1.529 1.00 75.05 H new ATOM 0 HH12 ARG A 91 -8.302 6.168 1.238 1.00 75.05 H new ATOM 0 HH21 ARG A 91 -5.976 7.039 -1.264 1.00 74.02 H new ATOM 0 HH22 ARG A 91 -6.699 5.721 -0.336 1.00 74.02 H new ATOM 1432 N PHE A 92 -12.427 9.584 -1.431 1.00 32.11 N ATOM 1433 CA PHE A 92 -13.414 8.520 -1.577 1.00 43.34 C ATOM 1434 C PHE A 92 -12.760 7.148 -1.439 1.00 11.50 C ATOM 1435 O PHE A 92 -13.377 6.201 -0.954 1.00 74.05 O ATOM 1436 CB PHE A 92 -14.115 8.630 -2.934 1.00 23.13 C ATOM 1437 CG PHE A 92 -15.314 9.533 -2.918 1.00 11.13 C ATOM 1438 CD1 PHE A 92 -15.212 10.836 -2.456 1.00 64.41 C ATOM 1439 CD2 PHE A 92 -16.545 9.079 -3.363 1.00 52.13 C ATOM 1440 CE1 PHE A 92 -16.314 11.669 -2.440 1.00 52.31 C ATOM 1441 CE2 PHE A 92 -17.651 9.908 -3.350 1.00 12.30 C ATOM 1442 CZ PHE A 92 -17.536 11.205 -2.887 1.00 21.43 C ATOM 0 H PHE A 92 -11.681 9.565 -2.126 1.00 32.11 H new ATOM 0 HA PHE A 92 -14.153 8.631 -0.783 1.00 43.34 H new ATOM 0 HB2 PHE A 92 -13.403 8.998 -3.673 1.00 23.13 H new ATOM 0 HB3 PHE A 92 -14.424 7.635 -3.256 1.00 23.13 H new ATOM 0 HD1 PHE A 92 -14.260 11.204 -2.104 1.00 64.41 H new ATOM 0 HD2 PHE A 92 -16.642 8.066 -3.724 1.00 52.13 H new ATOM 0 HE1 PHE A 92 -16.220 12.682 -2.078 1.00 52.31 H new ATOM 0 HE2 PHE A 92 -18.604 9.542 -3.701 1.00 12.30 H new ATOM 0 HZ PHE A 92 -18.399 11.854 -2.875 1.00 21.43 H new ATOM 1452 N GLY A 93 -11.506 7.051 -1.869 1.00 51.35 N ATOM 1453 CA GLY A 93 -10.789 5.793 -1.786 1.00 31.44 C ATOM 1454 C GLY A 93 -10.814 5.202 -0.390 1.00 71.33 C ATOM 1455 O GLY A 93 -11.209 4.051 -0.203 1.00 40.41 O ATOM 0 H GLY A 93 -10.974 7.822 -2.273 1.00 51.35 H new ATOM 0 HA2 GLY A 93 -11.227 5.082 -2.486 1.00 31.44 H new ATOM 0 HA3 GLY A 93 -9.755 5.947 -2.094 1.00 31.44 H new TER 1459 GLY A 93