USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 575 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 33 SER OG : rot 180:sc= 0.323 USER MOD Set 1.2: A 36 THR OG1 : rot 92:sc= 0.335 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 18:sc= -1.29 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.617 USER MOD Single : A 19 THR OG1 : rot -139:sc= 1.49 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= -0.136 (180deg=-0.809) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 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 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -9.57! C(o=-9.6!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -74:sc= 1.31 USER MOD Single : A 49 ASN : amide:sc= -1.33 K(o=-1.3,f=-5.6!) USER MOD Single : A 54 ASN : amide:sc=-0.00207 X(o=-0.0021,f=-0.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -6.94! C(o=-6.9!,f=-9.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.00479 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 6 7.201 6.119 -5.335 1.00 24.40 N ATOM 88 CA LYS A 6 8.572 5.921 -5.792 1.00 11.22 C ATOM 89 C LYS A 6 8.923 6.907 -6.902 1.00 74.51 C ATOM 90 O LYS A 6 10.089 7.246 -7.097 1.00 23.23 O ATOM 91 CB LYS A 6 8.764 4.487 -6.289 1.00 70.41 C ATOM 92 CG LYS A 6 8.478 4.313 -7.771 1.00 15.04 C ATOM 93 CD LYS A 6 9.732 4.502 -8.607 1.00 11.10 C ATOM 94 CE LYS A 6 9.980 3.309 -9.518 1.00 13.34 C ATOM 95 NZ LYS A 6 9.137 3.363 -10.744 1.00 50.32 N ATOM 0 HA LYS A 6 9.239 6.098 -4.948 1.00 11.22 H new ATOM 0 HB2 LYS A 6 9.789 4.175 -6.086 1.00 70.41 H new ATOM 0 HB3 LYS A 6 8.111 3.824 -5.721 1.00 70.41 H new ATOM 0 HG2 LYS A 6 8.067 3.319 -7.949 1.00 15.04 H new ATOM 0 HG3 LYS A 6 7.720 5.031 -8.083 1.00 15.04 H new ATOM 0 HD2 LYS A 6 9.637 5.406 -9.208 1.00 11.10 H new ATOM 0 HD3 LYS A 6 10.590 4.644 -7.950 1.00 11.10 H new ATOM 0 HE2 LYS A 6 11.032 3.281 -9.802 1.00 13.34 H new ATOM 0 HE3 LYS A 6 9.772 2.387 -8.974 1.00 13.34 H new ATOM 0 HZ1 LYS A 6 9.335 2.533 -11.338 1.00 50.32 H new ATOM 0 HZ2 LYS A 6 8.132 3.364 -10.475 1.00 50.32 H new ATOM 0 HZ3 LYS A 6 9.354 4.230 -11.276 1.00 50.32 H new ATOM 109 N GLU A 7 7.905 7.363 -7.626 1.00 30.34 N ATOM 110 CA GLU A 7 8.108 8.310 -8.716 1.00 35.04 C ATOM 111 C GLU A 7 8.181 9.740 -8.187 1.00 64.32 C ATOM 112 O GLU A 7 8.770 10.617 -8.820 1.00 34.22 O ATOM 113 CB GLU A 7 6.978 8.191 -9.741 1.00 12.23 C ATOM 114 CG GLU A 7 6.689 6.761 -10.166 1.00 3.15 C ATOM 115 CD GLU A 7 5.822 6.685 -11.407 1.00 10.10 C ATOM 116 OE1 GLU A 7 6.026 7.509 -12.324 1.00 34.34 O ATOM 117 OE2 GLU A 7 4.940 5.803 -11.462 1.00 70.11 O ATOM 0 H GLU A 7 6.933 7.092 -7.477 1.00 30.34 H new ATOM 0 HA GLU A 7 9.055 8.071 -9.200 1.00 35.04 H new ATOM 0 HB2 GLU A 7 6.071 8.627 -9.322 1.00 12.23 H new ATOM 0 HB3 GLU A 7 7.235 8.778 -10.623 1.00 12.23 H new ATOM 0 HG2 GLU A 7 7.630 6.244 -10.353 1.00 3.15 H new ATOM 0 HG3 GLU A 7 6.194 6.236 -9.349 1.00 3.15 H new ATOM 124 N ARG A 8 7.580 9.966 -7.024 1.00 53.10 N ATOM 125 CA ARG A 8 7.575 11.289 -6.411 1.00 24.11 C ATOM 126 C ARG A 8 8.997 11.747 -6.097 1.00 55.31 C ATOM 127 O ARG A 8 9.302 12.939 -6.148 1.00 42.23 O ATOM 128 CB ARG A 8 6.737 11.278 -5.131 1.00 41.43 C ATOM 129 CG ARG A 8 6.692 12.622 -4.422 1.00 24.35 C ATOM 130 CD ARG A 8 5.266 13.128 -4.277 1.00 52.31 C ATOM 131 NE ARG A 8 4.658 12.702 -3.019 1.00 63.24 N ATOM 132 CZ ARG A 8 3.560 13.249 -2.511 1.00 74.12 C ATOM 133 NH1 ARG A 8 2.951 14.238 -3.150 1.00 42.44 N ATOM 134 NH2 ARG A 8 3.067 12.806 -1.362 1.00 21.25 N ATOM 0 H ARG A 8 7.090 9.250 -6.487 1.00 53.10 H new ATOM 0 HA ARG A 8 7.134 11.989 -7.120 1.00 24.11 H new ATOM 0 HB2 ARG A 8 5.720 10.971 -5.375 1.00 41.43 H new ATOM 0 HB3 ARG A 8 7.141 10.530 -4.449 1.00 41.43 H new ATOM 0 HG2 ARG A 8 7.149 12.530 -3.436 1.00 24.35 H new ATOM 0 HG3 ARG A 8 7.282 13.349 -4.980 1.00 24.35 H new ATOM 0 HD2 ARG A 8 5.261 14.217 -4.332 1.00 52.31 H new ATOM 0 HD3 ARG A 8 4.666 12.764 -5.111 1.00 52.31 H new ATOM 0 HE ARG A 8 5.101 11.942 -2.502 1.00 63.24 H new ATOM 0 HH11 ARG A 8 3.326 14.581 -4.035 1.00 42.44 H new ATOM 0 HH12 ARG A 8 2.108 14.656 -2.757 1.00 42.44 H new ATOM 0 HH21 ARG A 8 3.532 12.044 -0.868 1.00 21.25 H new ATOM 0 HH22 ARG A 8 2.223 13.227 -0.973 1.00 21.25 H new ATOM 148 N THR A 9 9.863 10.793 -5.771 1.00 74.32 N ATOM 149 CA THR A 9 11.250 11.098 -5.447 1.00 64.23 C ATOM 150 C THR A 9 12.088 11.254 -6.711 1.00 43.21 C ATOM 151 O THR A 9 13.096 11.962 -6.715 1.00 53.33 O ATOM 152 CB THR A 9 11.875 10.002 -4.563 1.00 71.02 C ATOM 153 OG1 THR A 9 13.256 10.294 -4.324 1.00 22.15 O ATOM 154 CG2 THR A 9 11.747 8.637 -5.222 1.00 32.20 C ATOM 0 H THR A 9 9.627 9.802 -5.724 1.00 74.32 H new ATOM 0 HA THR A 9 11.246 12.039 -4.898 1.00 64.23 H new ATOM 0 HB THR A 9 11.339 9.982 -3.614 1.00 71.02 H new ATOM 0 HG1 THR A 9 13.429 11.238 -4.520 1.00 22.15 H new ATOM 0 HG21 THR A 9 12.195 7.879 -4.579 1.00 32.20 H new ATOM 0 HG22 THR A 9 10.693 8.405 -5.376 1.00 32.20 H new ATOM 0 HG23 THR A 9 12.261 8.647 -6.183 1.00 32.20 H new ATOM 162 N ILE A 10 11.666 10.590 -7.781 1.00 73.04 N ATOM 163 CA ILE A 10 12.377 10.657 -9.052 1.00 2.42 C ATOM 164 C ILE A 10 12.634 12.103 -9.462 1.00 51.51 C ATOM 165 O ILE A 10 13.740 12.458 -9.870 1.00 41.01 O ATOM 166 CB ILE A 10 11.595 9.948 -10.173 1.00 42.54 C ATOM 167 CG1 ILE A 10 11.588 8.436 -9.943 1.00 24.13 C ATOM 168 CG2 ILE A 10 12.198 10.280 -11.530 1.00 52.14 C ATOM 169 CD1 ILE A 10 12.965 7.811 -9.990 1.00 3.34 C ATOM 0 H ILE A 10 10.835 9.999 -7.794 1.00 73.04 H new ATOM 0 HA ILE A 10 13.330 10.148 -8.908 1.00 2.42 H new ATOM 0 HB ILE A 10 10.565 10.303 -10.158 1.00 42.54 H new ATOM 0 HG12 ILE A 10 11.136 8.226 -8.974 1.00 24.13 H new ATOM 0 HG13 ILE A 10 10.958 7.965 -10.697 1.00 24.13 H new ATOM 0 HG21 ILE A 10 11.635 9.772 -12.313 1.00 52.14 H new ATOM 0 HG22 ILE A 10 12.156 11.357 -11.693 1.00 52.14 H new ATOM 0 HG23 ILE A 10 13.236 9.950 -11.557 1.00 52.14 H new ATOM 0 HD11 ILE A 10 12.883 6.738 -9.819 1.00 3.34 H new ATOM 0 HD12 ILE A 10 13.412 7.990 -10.968 1.00 3.34 H new ATOM 0 HD13 ILE A 10 13.593 8.255 -9.217 1.00 3.34 H new ATOM 181 N LYS A 11 11.605 12.936 -9.350 1.00 14.14 N ATOM 182 CA LYS A 11 11.718 14.346 -9.705 1.00 74.44 C ATOM 183 C LYS A 11 12.776 15.039 -8.853 1.00 71.31 C ATOM 184 O LYS A 11 13.554 15.851 -9.353 1.00 44.14 O ATOM 185 CB LYS A 11 10.368 15.046 -9.532 1.00 3.54 C ATOM 186 CG LYS A 11 9.204 14.283 -10.139 1.00 12.25 C ATOM 187 CD LYS A 11 7.911 15.076 -10.050 1.00 14.01 C ATOM 188 CE LYS A 11 6.693 14.167 -10.126 1.00 43.33 C ATOM 189 NZ LYS A 11 6.511 13.598 -11.490 1.00 62.50 N ATOM 0 H LYS A 11 10.682 12.659 -9.016 1.00 14.14 H new ATOM 0 HA LYS A 11 12.021 14.409 -10.750 1.00 74.44 H new ATOM 0 HB2 LYS A 11 10.179 15.194 -8.469 1.00 3.54 H new ATOM 0 HB3 LYS A 11 10.420 16.035 -9.988 1.00 3.54 H new ATOM 0 HG2 LYS A 11 9.421 14.056 -11.183 1.00 12.25 H new ATOM 0 HG3 LYS A 11 9.084 13.330 -9.623 1.00 12.25 H new ATOM 0 HD2 LYS A 11 7.890 15.636 -9.115 1.00 14.01 H new ATOM 0 HD3 LYS A 11 7.873 15.805 -10.860 1.00 14.01 H new ATOM 0 HE2 LYS A 11 6.799 13.356 -9.405 1.00 43.33 H new ATOM 0 HE3 LYS A 11 5.802 14.729 -9.845 1.00 43.33 H new ATOM 0 HZ1 LYS A 11 5.671 12.985 -11.501 1.00 62.50 H new ATOM 0 HZ2 LYS A 11 6.384 14.371 -12.174 1.00 62.50 H new ATOM 0 HZ3 LYS A 11 7.350 13.041 -11.749 1.00 62.50 H new ATOM 203 N ILE A 12 12.799 14.712 -7.566 1.00 23.35 N ATOM 204 CA ILE A 12 13.764 15.301 -6.646 1.00 10.44 C ATOM 205 C ILE A 12 15.186 14.869 -6.988 1.00 54.34 C ATOM 206 O ILE A 12 16.057 15.703 -7.234 1.00 32.42 O ATOM 207 CB ILE A 12 13.460 14.914 -5.186 1.00 54.33 C ATOM 208 CG1 ILE A 12 12.026 15.305 -4.820 1.00 42.14 C ATOM 209 CG2 ILE A 12 14.452 15.579 -4.244 1.00 64.40 C ATOM 210 CD1 ILE A 12 11.648 14.952 -3.399 1.00 73.11 C ATOM 0 H ILE A 12 12.161 14.042 -7.136 1.00 23.35 H new ATOM 0 HA ILE A 12 13.680 16.383 -6.752 1.00 10.44 H new ATOM 0 HB ILE A 12 13.560 13.833 -5.084 1.00 54.33 H new ATOM 0 HG12 ILE A 12 11.903 16.378 -4.964 1.00 42.14 H new ATOM 0 HG13 ILE A 12 11.337 14.810 -5.504 1.00 42.14 H new ATOM 0 HG21 ILE A 12 14.224 15.296 -3.216 1.00 64.40 H new ATOM 0 HG22 ILE A 12 15.463 15.257 -4.493 1.00 64.40 H new ATOM 0 HG23 ILE A 12 14.381 16.662 -4.346 1.00 64.40 H new ATOM 0 HD11 ILE A 12 10.619 15.258 -3.210 1.00 73.11 H new ATOM 0 HD12 ILE A 12 11.739 13.875 -3.255 1.00 73.11 H new ATOM 0 HD13 ILE A 12 12.313 15.468 -2.707 1.00 73.11 H new ATOM 222 N GLY A 13 15.413 13.559 -7.005 1.00 14.30 N ATOM 223 CA GLY A 13 16.730 13.039 -7.321 1.00 31.43 C ATOM 224 C GLY A 13 17.241 13.529 -8.661 1.00 23.13 C ATOM 225 O GLY A 13 18.448 13.675 -8.858 1.00 72.21 O ATOM 0 H GLY A 13 14.708 12.849 -6.806 1.00 14.30 H new ATOM 0 HA2 GLY A 13 17.430 13.333 -6.539 1.00 31.43 H new ATOM 0 HA3 GLY A 13 16.696 11.950 -7.325 1.00 31.43 H new ATOM 229 N LYS A 14 16.322 13.783 -9.586 1.00 21.10 N ATOM 230 CA LYS A 14 16.685 14.259 -10.915 1.00 42.24 C ATOM 231 C LYS A 14 16.831 15.778 -10.928 1.00 75.55 C ATOM 232 O LYS A 14 17.535 16.336 -11.770 1.00 11.12 O ATOM 233 CB LYS A 14 15.633 13.828 -11.939 1.00 54.12 C ATOM 234 CG LYS A 14 15.535 12.323 -12.114 1.00 71.50 C ATOM 235 CD LYS A 14 16.069 11.882 -13.467 1.00 1.43 C ATOM 236 CE LYS A 14 15.553 10.503 -13.848 1.00 10.40 C ATOM 237 NZ LYS A 14 14.647 10.557 -15.029 1.00 24.01 N ATOM 0 H LYS A 14 15.319 13.667 -9.439 1.00 21.10 H new ATOM 0 HA LYS A 14 17.645 13.817 -11.182 1.00 42.24 H new ATOM 0 HB2 LYS A 14 14.661 14.214 -11.633 1.00 54.12 H new ATOM 0 HB3 LYS A 14 15.867 14.283 -12.901 1.00 54.12 H new ATOM 0 HG2 LYS A 14 16.095 11.827 -11.322 1.00 71.50 H new ATOM 0 HG3 LYS A 14 14.495 12.011 -12.013 1.00 71.50 H new ATOM 0 HD2 LYS A 14 15.775 12.605 -14.228 1.00 1.43 H new ATOM 0 HD3 LYS A 14 17.159 11.870 -13.443 1.00 1.43 H new ATOM 0 HE2 LYS A 14 16.396 9.847 -14.066 1.00 10.40 H new ATOM 0 HE3 LYS A 14 15.021 10.068 -13.002 1.00 10.40 H new ATOM 0 HZ1 LYS A 14 14.317 9.598 -15.257 1.00 24.01 H new ATOM 0 HZ2 LYS A 14 13.830 11.162 -14.812 1.00 24.01 H new ATOM 0 HZ3 LYS A 14 15.161 10.949 -15.844 1.00 24.01 H new ATOM 251 N TYR A 15 16.162 16.439 -9.991 1.00 14.21 N ATOM 252 CA TYR A 15 16.216 17.893 -9.895 1.00 51.15 C ATOM 253 C TYR A 15 17.476 18.344 -9.164 1.00 45.51 C ATOM 254 O TYR A 15 18.134 19.302 -9.572 1.00 5.23 O ATOM 255 CB TYR A 15 14.976 18.424 -9.174 1.00 3.52 C ATOM 256 CG TYR A 15 14.885 19.934 -9.159 1.00 32.44 C ATOM 257 CD1 TYR A 15 15.594 20.683 -8.228 1.00 25.32 C ATOM 258 CD2 TYR A 15 14.088 20.610 -10.074 1.00 3.52 C ATOM 259 CE1 TYR A 15 15.514 22.062 -8.210 1.00 34.35 C ATOM 260 CE2 TYR A 15 14.003 21.989 -10.064 1.00 14.21 C ATOM 261 CZ TYR A 15 14.717 22.710 -9.130 1.00 12.22 C ATOM 262 OH TYR A 15 14.633 24.084 -9.116 1.00 31.33 O ATOM 0 H TYR A 15 15.576 15.991 -9.287 1.00 14.21 H new ATOM 0 HA TYR A 15 16.241 18.298 -10.907 1.00 51.15 H new ATOM 0 HB2 TYR A 15 14.085 18.019 -9.655 1.00 3.52 H new ATOM 0 HB3 TYR A 15 14.978 18.058 -8.147 1.00 3.52 H new ATOM 0 HD1 TYR A 15 16.219 20.178 -7.506 1.00 25.32 H new ATOM 0 HD2 TYR A 15 13.526 20.048 -10.805 1.00 3.52 H new ATOM 0 HE1 TYR A 15 16.072 22.629 -7.480 1.00 34.35 H new ATOM 0 HE2 TYR A 15 13.381 22.500 -10.784 1.00 14.21 H new ATOM 0 HH TYR A 15 14.030 24.382 -9.829 1.00 31.33 H new ATOM 272 N ILE A 16 17.807 17.647 -8.082 1.00 55.14 N ATOM 273 CA ILE A 16 18.989 17.974 -7.295 1.00 34.04 C ATOM 274 C ILE A 16 20.227 18.074 -8.178 1.00 44.41 C ATOM 275 O ILE A 16 21.110 18.898 -7.937 1.00 40.11 O ATOM 276 CB ILE A 16 19.240 16.926 -6.195 1.00 32.42 C ATOM 277 CG1 ILE A 16 19.671 15.596 -6.817 1.00 31.45 C ATOM 278 CG2 ILE A 16 17.991 16.739 -5.345 1.00 44.44 C ATOM 279 CD1 ILE A 16 21.170 15.451 -6.953 1.00 64.53 C ATOM 0 H ILE A 16 17.273 16.852 -7.731 1.00 55.14 H new ATOM 0 HA ILE A 16 18.800 18.941 -6.828 1.00 34.04 H new ATOM 0 HB ILE A 16 20.044 17.283 -5.551 1.00 32.42 H new ATOM 0 HG12 ILE A 16 19.289 14.778 -6.207 1.00 31.45 H new ATOM 0 HG13 ILE A 16 19.214 15.500 -7.802 1.00 31.45 H new ATOM 0 HG21 ILE A 16 18.185 15.995 -4.572 1.00 44.44 H new ATOM 0 HG22 ILE A 16 17.724 17.687 -4.878 1.00 44.44 H new ATOM 0 HG23 ILE A 16 17.169 16.401 -5.976 1.00 44.44 H new ATOM 0 HD11 ILE A 16 21.403 14.485 -7.401 1.00 64.53 H new ATOM 0 HD12 ILE A 16 21.557 16.248 -7.588 1.00 64.53 H new ATOM 0 HD13 ILE A 16 21.633 15.515 -5.968 1.00 64.53 H new ATOM 291 N VAL A 17 20.286 17.231 -9.204 1.00 51.21 N ATOM 292 CA VAL A 17 21.415 17.226 -10.126 1.00 41.54 C ATOM 293 C VAL A 17 21.212 18.238 -11.249 1.00 70.30 C ATOM 294 O VAL A 17 22.175 18.771 -11.798 1.00 42.23 O ATOM 295 CB VAL A 17 21.632 15.831 -10.741 1.00 23.25 C ATOM 296 CG1 VAL A 17 20.488 15.476 -11.678 1.00 20.44 C ATOM 297 CG2 VAL A 17 22.967 15.771 -11.469 1.00 14.44 C ATOM 0 H VAL A 17 19.564 16.542 -9.418 1.00 51.21 H new ATOM 0 HA VAL A 17 22.297 17.501 -9.547 1.00 41.54 H new ATOM 0 HB VAL A 17 21.650 15.097 -9.935 1.00 23.25 H new ATOM 0 HG11 VAL A 17 20.659 14.487 -12.103 1.00 20.44 H new ATOM 0 HG12 VAL A 17 19.550 15.475 -11.123 1.00 20.44 H new ATOM 0 HG13 VAL A 17 20.434 16.211 -12.481 1.00 20.44 H new ATOM 0 HG21 VAL A 17 23.104 14.778 -11.897 1.00 14.44 H new ATOM 0 HG22 VAL A 17 22.981 16.515 -12.266 1.00 14.44 H new ATOM 0 HG23 VAL A 17 23.774 15.977 -10.766 1.00 14.44 H new ATOM 307 N GLU A 18 19.952 18.497 -11.584 1.00 72.52 N ATOM 308 CA GLU A 18 19.623 19.444 -12.642 1.00 52.25 C ATOM 309 C GLU A 18 19.902 20.876 -12.196 1.00 43.54 C ATOM 310 O GLU A 18 20.168 21.755 -13.018 1.00 22.32 O ATOM 311 CB GLU A 18 18.154 19.302 -13.047 1.00 31.34 C ATOM 312 CG GLU A 18 17.959 18.880 -14.493 1.00 53.23 C ATOM 313 CD GLU A 18 16.677 18.098 -14.705 1.00 52.43 C ATOM 314 OE1 GLU A 18 15.589 18.703 -14.596 1.00 22.42 O ATOM 315 OE2 GLU A 18 16.761 16.883 -14.980 1.00 52.43 O ATOM 0 H GLU A 18 19.143 18.064 -11.138 1.00 72.52 H new ATOM 0 HA GLU A 18 20.253 19.220 -13.503 1.00 52.25 H new ATOM 0 HB2 GLU A 18 17.676 18.570 -12.396 1.00 31.34 H new ATOM 0 HB3 GLU A 18 17.647 20.253 -12.884 1.00 31.34 H new ATOM 0 HG2 GLU A 18 17.949 19.766 -15.128 1.00 53.23 H new ATOM 0 HG3 GLU A 18 18.807 18.272 -14.808 1.00 53.23 H new ATOM 322 N THR A 19 19.840 21.106 -10.888 1.00 74.34 N ATOM 323 CA THR A 19 20.084 22.430 -10.332 1.00 12.40 C ATOM 324 C THR A 19 21.329 22.437 -9.453 1.00 63.41 C ATOM 325 O THR A 19 21.891 23.493 -9.161 1.00 33.31 O ATOM 326 CB THR A 19 18.882 22.922 -9.503 1.00 60.11 C ATOM 327 OG1 THR A 19 18.623 22.012 -8.428 1.00 62.34 O ATOM 328 CG2 THR A 19 17.641 23.053 -10.374 1.00 24.53 C ATOM 0 H THR A 19 19.623 20.391 -10.194 1.00 74.34 H new ATOM 0 HA THR A 19 20.234 23.103 -11.176 1.00 12.40 H new ATOM 0 HB THR A 19 19.126 23.903 -9.097 1.00 60.11 H new ATOM 0 HG1 THR A 19 17.656 21.893 -8.326 1.00 62.34 H new ATOM 0 HG21 THR A 19 16.806 23.402 -9.767 1.00 24.53 H new ATOM 0 HG22 THR A 19 17.832 23.768 -11.174 1.00 24.53 H new ATOM 0 HG23 THR A 19 17.396 22.083 -10.806 1.00 24.53 H new ATOM 336 N LYS A 20 21.758 21.251 -9.034 1.00 60.23 N ATOM 337 CA LYS A 20 22.939 21.118 -8.190 1.00 3.32 C ATOM 338 C LYS A 20 22.762 21.883 -6.882 1.00 35.21 C ATOM 339 O LYS A 20 23.738 22.282 -6.246 1.00 75.22 O ATOM 340 CB LYS A 20 24.179 21.630 -8.927 1.00 72.34 C ATOM 341 CG LYS A 20 24.328 21.066 -10.330 1.00 13.01 C ATOM 342 CD LYS A 20 24.570 19.566 -10.305 1.00 51.23 C ATOM 343 CE LYS A 20 25.870 19.223 -9.594 1.00 15.05 C ATOM 344 NZ LYS A 20 26.794 18.451 -10.469 1.00 43.00 N ATOM 0 H LYS A 20 21.304 20.367 -9.266 1.00 60.23 H new ATOM 0 HA LYS A 20 23.071 20.061 -7.958 1.00 3.32 H new ATOM 0 HB2 LYS A 20 24.134 22.718 -8.984 1.00 72.34 H new ATOM 0 HB3 LYS A 20 25.067 21.378 -8.347 1.00 72.34 H new ATOM 0 HG2 LYS A 20 23.428 21.281 -10.907 1.00 13.01 H new ATOM 0 HG3 LYS A 20 25.157 21.561 -10.836 1.00 13.01 H new ATOM 0 HD2 LYS A 20 23.738 19.071 -9.804 1.00 51.23 H new ATOM 0 HD3 LYS A 20 24.600 19.184 -11.325 1.00 51.23 H new ATOM 0 HE2 LYS A 20 26.360 20.141 -9.270 1.00 15.05 H new ATOM 0 HE3 LYS A 20 25.651 18.644 -8.697 1.00 15.05 H new ATOM 0 HZ1 LYS A 20 27.668 18.237 -9.948 1.00 43.00 H new ATOM 0 HZ2 LYS A 20 26.337 17.563 -10.758 1.00 43.00 H new ATOM 0 HZ3 LYS A 20 27.023 19.013 -11.313 1.00 43.00 H new ATOM 358 N LYS A 21 21.510 22.083 -6.484 1.00 74.41 N ATOM 359 CA LYS A 21 21.203 22.797 -5.250 1.00 60.44 C ATOM 360 C LYS A 21 21.186 21.843 -4.060 1.00 2.22 C ATOM 361 O LYS A 21 21.507 20.662 -4.192 1.00 62.42 O ATOM 362 CB LYS A 21 19.852 23.505 -5.369 1.00 74.11 C ATOM 363 CG LYS A 21 19.962 25.018 -5.437 1.00 40.31 C ATOM 364 CD LYS A 21 19.299 25.570 -6.688 1.00 14.12 C ATOM 365 CE LYS A 21 20.328 26.058 -7.696 1.00 11.34 C ATOM 366 NZ LYS A 21 21.204 27.118 -7.124 1.00 43.03 N ATOM 0 H LYS A 21 20.691 21.760 -6.999 1.00 74.41 H new ATOM 0 HA LYS A 21 21.983 23.541 -5.086 1.00 60.44 H new ATOM 0 HB2 LYS A 21 19.341 23.146 -6.262 1.00 74.11 H new ATOM 0 HB3 LYS A 21 19.232 23.232 -4.515 1.00 74.11 H new ATOM 0 HG2 LYS A 21 19.498 25.457 -4.554 1.00 40.31 H new ATOM 0 HG3 LYS A 21 21.013 25.308 -5.423 1.00 40.31 H new ATOM 0 HD2 LYS A 21 18.680 24.797 -7.144 1.00 14.12 H new ATOM 0 HD3 LYS A 21 18.636 26.391 -6.417 1.00 14.12 H new ATOM 0 HE2 LYS A 21 20.941 25.219 -8.025 1.00 11.34 H new ATOM 0 HE3 LYS A 21 19.818 26.445 -8.578 1.00 11.34 H new ATOM 0 HZ1 LYS A 21 21.471 27.789 -7.873 1.00 43.03 H new ATOM 0 HZ2 LYS A 21 20.692 27.624 -6.373 1.00 43.03 H new ATOM 0 HZ3 LYS A 21 22.061 26.683 -6.727 1.00 43.03 H new ATOM 380 N THR A 22 20.809 22.363 -2.896 1.00 15.30 N ATOM 381 CA THR A 22 20.749 21.559 -1.682 1.00 64.44 C ATOM 382 C THR A 22 19.329 21.076 -1.411 1.00 10.50 C ATOM 383 O THR A 22 18.362 21.640 -1.925 1.00 5.14 O ATOM 384 CB THR A 22 21.254 22.348 -0.460 1.00 31.03 C ATOM 385 OG1 THR A 22 20.274 23.313 -0.061 1.00 34.42 O ATOM 386 CG2 THR A 22 22.566 23.051 -0.773 1.00 61.12 C ATOM 0 H THR A 22 20.540 23.339 -2.769 1.00 15.30 H new ATOM 0 HA THR A 22 21.397 20.698 -1.842 1.00 64.44 H new ATOM 0 HB THR A 22 21.423 21.643 0.354 1.00 31.03 H new ATOM 0 HG1 THR A 22 20.602 23.809 0.718 1.00 34.42 H new ATOM 0 HG21 THR A 22 22.902 23.602 0.106 1.00 61.12 H new ATOM 0 HG22 THR A 22 23.318 22.312 -1.048 1.00 61.12 H new ATOM 0 HG23 THR A 22 22.419 23.744 -1.601 1.00 61.12 H new ATOM 394 N VAL A 23 19.209 20.030 -0.600 1.00 12.32 N ATOM 395 CA VAL A 23 17.905 19.473 -0.258 1.00 44.33 C ATOM 396 C VAL A 23 16.962 20.556 0.253 1.00 52.23 C ATOM 397 O VAL A 23 15.744 20.452 0.106 1.00 51.40 O ATOM 398 CB VAL A 23 18.029 18.370 0.809 1.00 33.30 C ATOM 399 CG1 VAL A 23 18.546 17.081 0.188 1.00 51.22 C ATOM 400 CG2 VAL A 23 18.934 18.825 1.944 1.00 51.24 C ATOM 0 H VAL A 23 19.999 19.551 -0.167 1.00 12.32 H new ATOM 0 HA VAL A 23 17.496 19.041 -1.171 1.00 44.33 H new ATOM 0 HB VAL A 23 17.039 18.175 1.221 1.00 33.30 H new ATOM 0 HG11 VAL A 23 18.627 16.313 0.958 1.00 51.22 H new ATOM 0 HG12 VAL A 23 17.855 16.747 -0.586 1.00 51.22 H new ATOM 0 HG13 VAL A 23 19.527 17.258 -0.253 1.00 51.22 H new ATOM 0 HG21 VAL A 23 19.010 18.033 2.689 1.00 51.24 H new ATOM 0 HG22 VAL A 23 19.926 19.050 1.551 1.00 51.24 H new ATOM 0 HG23 VAL A 23 18.516 19.719 2.407 1.00 51.24 H new ATOM 410 N ARG A 24 17.533 21.596 0.853 1.00 75.41 N ATOM 411 CA ARG A 24 16.742 22.698 1.387 1.00 42.34 C ATOM 412 C ARG A 24 16.106 23.506 0.260 1.00 54.44 C ATOM 413 O ARG A 24 14.983 23.996 0.389 1.00 25.25 O ATOM 414 CB ARG A 24 17.616 23.609 2.251 1.00 64.13 C ATOM 415 CG ARG A 24 16.869 24.798 2.832 1.00 41.23 C ATOM 416 CD ARG A 24 16.982 26.020 1.934 1.00 45.13 C ATOM 417 NE ARG A 24 18.025 26.937 2.386 1.00 3.02 N ATOM 418 CZ ARG A 24 18.084 28.216 2.031 1.00 21.24 C ATOM 419 NH1 ARG A 24 17.164 28.726 1.224 1.00 5.21 N ATOM 420 NH2 ARG A 24 19.064 28.987 2.485 1.00 61.02 N ATOM 0 H ARG A 24 18.540 21.698 0.981 1.00 75.41 H new ATOM 0 HA ARG A 24 15.947 22.277 2.003 1.00 42.34 H new ATOM 0 HB2 ARG A 24 18.041 23.024 3.067 1.00 64.13 H new ATOM 0 HB3 ARG A 24 18.451 23.973 1.652 1.00 64.13 H new ATOM 0 HG2 ARG A 24 15.819 24.539 2.966 1.00 41.23 H new ATOM 0 HG3 ARG A 24 17.268 25.032 3.819 1.00 41.23 H new ATOM 0 HD2 ARG A 24 17.197 25.702 0.914 1.00 45.13 H new ATOM 0 HD3 ARG A 24 16.026 26.542 1.910 1.00 45.13 H new ATOM 0 HE ARG A 24 18.748 26.576 3.008 1.00 3.02 H new ATOM 0 HH11 ARG A 24 16.409 28.136 0.874 1.00 5.21 H new ATOM 0 HH12 ARG A 24 17.211 29.708 0.953 1.00 5.21 H new ATOM 0 HH21 ARG A 24 19.773 28.598 3.107 1.00 61.02 H new ATOM 0 HH22 ARG A 24 19.109 29.969 2.212 1.00 61.02 H new ATOM 434 N VAL A 25 16.830 23.643 -0.846 1.00 63.44 N ATOM 435 CA VAL A 25 16.337 24.391 -1.996 1.00 72.45 C ATOM 436 C VAL A 25 15.491 23.506 -2.905 1.00 52.24 C ATOM 437 O VAL A 25 14.596 23.989 -3.600 1.00 34.14 O ATOM 438 CB VAL A 25 17.496 24.990 -2.815 1.00 75.15 C ATOM 439 CG1 VAL A 25 16.962 25.737 -4.028 1.00 50.02 C ATOM 440 CG2 VAL A 25 18.344 25.905 -1.946 1.00 44.10 C ATOM 0 H VAL A 25 17.761 23.245 -0.970 1.00 63.44 H new ATOM 0 HA VAL A 25 15.721 25.201 -1.606 1.00 72.45 H new ATOM 0 HB VAL A 25 18.128 24.175 -3.169 1.00 75.15 H new ATOM 0 HG11 VAL A 25 17.795 26.153 -4.595 1.00 50.02 H new ATOM 0 HG12 VAL A 25 16.400 25.049 -4.661 1.00 50.02 H new ATOM 0 HG13 VAL A 25 16.307 26.544 -3.699 1.00 50.02 H new ATOM 0 HG21 VAL A 25 19.158 26.320 -2.540 1.00 44.10 H new ATOM 0 HG22 VAL A 25 17.726 26.716 -1.561 1.00 44.10 H new ATOM 0 HG23 VAL A 25 18.756 25.336 -1.113 1.00 44.10 H new ATOM 450 N ILE A 26 15.780 22.209 -2.896 1.00 11.33 N ATOM 451 CA ILE A 26 15.044 21.257 -3.718 1.00 43.02 C ATOM 452 C ILE A 26 13.728 20.861 -3.057 1.00 43.33 C ATOM 453 O ILE A 26 12.746 20.563 -3.736 1.00 62.11 O ATOM 454 CB ILE A 26 15.873 19.987 -3.987 1.00 1.12 C ATOM 455 CG1 ILE A 26 17.160 20.340 -4.735 1.00 1.40 C ATOM 456 CG2 ILE A 26 15.054 18.978 -4.778 1.00 24.45 C ATOM 457 CD1 ILE A 26 18.404 19.748 -4.111 1.00 1.45 C ATOM 0 H ILE A 26 16.519 21.794 -2.328 1.00 11.33 H new ATOM 0 HA ILE A 26 14.836 21.753 -4.666 1.00 43.02 H new ATOM 0 HB ILE A 26 16.143 19.538 -3.031 1.00 1.12 H new ATOM 0 HG12 ILE A 26 17.079 19.992 -5.765 1.00 1.40 H new ATOM 0 HG13 ILE A 26 17.263 21.424 -4.772 1.00 1.40 H new ATOM 0 HG21 ILE A 26 15.653 18.086 -4.960 1.00 24.45 H new ATOM 0 HG22 ILE A 26 14.164 18.707 -4.211 1.00 24.45 H new ATOM 0 HG23 ILE A 26 14.758 19.417 -5.731 1.00 24.45 H new ATOM 0 HD11 ILE A 26 19.278 20.040 -4.694 1.00 1.45 H new ATOM 0 HD12 ILE A 26 18.509 20.116 -3.090 1.00 1.45 H new ATOM 0 HD13 ILE A 26 18.323 18.661 -4.098 1.00 1.45 H new ATOM 469 N ALA A 27 13.716 20.863 -1.728 1.00 71.13 N ATOM 470 CA ALA A 27 12.520 20.508 -0.975 1.00 74.11 C ATOM 471 C ALA A 27 11.472 21.613 -1.056 1.00 31.11 C ATOM 472 O ALA A 27 10.309 21.359 -1.370 1.00 32.42 O ATOM 473 CB ALA A 27 12.875 20.221 0.476 1.00 25.50 C ATOM 0 H ALA A 27 14.521 21.107 -1.151 1.00 71.13 H new ATOM 0 HA ALA A 27 12.096 19.607 -1.419 1.00 74.11 H new ATOM 0 HB1 ALA A 27 11.972 19.957 1.026 1.00 25.50 H new ATOM 0 HB2 ALA A 27 13.582 19.393 0.521 1.00 25.50 H new ATOM 0 HB3 ALA A 27 13.326 21.107 0.922 1.00 25.50 H new ATOM 479 N LYS A 28 11.891 22.841 -0.770 1.00 52.01 N ATOM 480 CA LYS A 28 10.989 23.986 -0.811 1.00 4.34 C ATOM 481 C LYS A 28 10.249 24.049 -2.143 1.00 11.03 C ATOM 482 O LYS A 28 9.120 24.533 -2.213 1.00 12.23 O ATOM 483 CB LYS A 28 11.770 25.284 -0.587 1.00 74.22 C ATOM 484 CG LYS A 28 12.943 25.459 -1.536 1.00 31.13 C ATOM 485 CD LYS A 28 12.513 26.108 -2.841 1.00 31.52 C ATOM 486 CE LYS A 28 13.017 27.539 -2.944 1.00 73.14 C ATOM 487 NZ LYS A 28 12.650 28.163 -4.246 1.00 12.34 N ATOM 0 H LYS A 28 12.850 23.069 -0.507 1.00 52.01 H new ATOM 0 HA LYS A 28 10.255 23.868 -0.014 1.00 4.34 H new ATOM 0 HB2 LYS A 28 11.092 26.130 -0.700 1.00 74.22 H new ATOM 0 HB3 LYS A 28 12.137 25.305 0.439 1.00 74.22 H new ATOM 0 HG2 LYS A 28 13.709 26.071 -1.060 1.00 31.13 H new ATOM 0 HG3 LYS A 28 13.393 24.488 -1.743 1.00 31.13 H new ATOM 0 HD2 LYS A 28 12.893 25.526 -3.681 1.00 31.52 H new ATOM 0 HD3 LYS A 28 11.425 26.098 -2.913 1.00 31.52 H new ATOM 0 HE2 LYS A 28 12.602 28.130 -2.128 1.00 73.14 H new ATOM 0 HE3 LYS A 28 14.101 27.552 -2.828 1.00 73.14 H new ATOM 0 HZ1 LYS A 28 13.011 29.138 -4.278 1.00 12.34 H new ATOM 0 HZ2 LYS A 28 13.067 27.614 -5.024 1.00 12.34 H new ATOM 0 HZ3 LYS A 28 11.615 28.174 -4.346 1.00 12.34 H new ATOM 501 N GLU A 29 10.892 23.555 -3.196 1.00 70.11 N ATOM 502 CA GLU A 29 10.292 23.555 -4.525 1.00 45.03 C ATOM 503 C GLU A 29 9.105 22.598 -4.587 1.00 2.32 C ATOM 504 O GLU A 29 8.102 22.877 -5.244 1.00 42.31 O ATOM 505 CB GLU A 29 11.332 23.164 -5.578 1.00 32.31 C ATOM 506 CG GLU A 29 12.307 24.279 -5.914 1.00 42.22 C ATOM 507 CD GLU A 29 12.376 24.565 -7.402 1.00 2.02 C ATOM 508 OE1 GLU A 29 12.137 23.632 -8.196 1.00 71.53 O ATOM 509 OE2 GLU A 29 12.669 25.721 -7.771 1.00 44.04 O ATOM 0 H GLU A 29 11.827 23.150 -3.155 1.00 70.11 H new ATOM 0 HA GLU A 29 9.934 24.563 -4.734 1.00 45.03 H new ATOM 0 HB2 GLU A 29 11.891 22.299 -5.221 1.00 32.31 H new ATOM 0 HB3 GLU A 29 10.817 22.857 -6.488 1.00 32.31 H new ATOM 0 HG2 GLU A 29 12.012 25.186 -5.387 1.00 42.22 H new ATOM 0 HG3 GLU A 29 13.300 24.010 -5.553 1.00 42.22 H new ATOM 516 N PHE A 30 9.227 21.469 -3.898 1.00 30.34 N ATOM 517 CA PHE A 30 8.166 20.469 -3.874 1.00 55.05 C ATOM 518 C PHE A 30 7.119 20.811 -2.818 1.00 52.53 C ATOM 519 O PHE A 30 5.971 20.377 -2.902 1.00 71.14 O ATOM 520 CB PHE A 30 8.749 19.081 -3.600 1.00 14.33 C ATOM 521 CG PHE A 30 9.419 18.465 -4.794 1.00 51.54 C ATOM 522 CD1 PHE A 30 10.516 19.076 -5.381 1.00 75.14 C ATOM 523 CD2 PHE A 30 8.952 17.276 -5.331 1.00 10.32 C ATOM 524 CE1 PHE A 30 11.135 18.512 -6.481 1.00 31.43 C ATOM 525 CE2 PHE A 30 9.567 16.707 -6.430 1.00 5.24 C ATOM 526 CZ PHE A 30 10.659 17.326 -7.006 1.00 45.10 C ATOM 0 H PHE A 30 10.050 21.223 -3.348 1.00 30.34 H new ATOM 0 HA PHE A 30 7.683 20.466 -4.851 1.00 55.05 H new ATOM 0 HB2 PHE A 30 9.470 19.153 -2.786 1.00 14.33 H new ATOM 0 HB3 PHE A 30 7.951 18.421 -3.261 1.00 14.33 H new ATOM 0 HD1 PHE A 30 10.892 20.003 -4.974 1.00 75.14 H new ATOM 0 HD2 PHE A 30 8.098 16.788 -4.886 1.00 10.32 H new ATOM 0 HE1 PHE A 30 11.989 18.998 -6.929 1.00 31.43 H new ATOM 0 HE2 PHE A 30 9.194 15.779 -6.838 1.00 5.24 H new ATOM 0 HZ PHE A 30 11.140 16.884 -7.866 1.00 45.10 H new ATOM 536 N GLY A 31 7.525 21.594 -1.823 1.00 11.10 N ATOM 537 CA GLY A 31 6.611 21.981 -0.764 1.00 4.50 C ATOM 538 C GLY A 31 6.661 21.035 0.419 1.00 15.11 C ATOM 539 O GLY A 31 5.634 20.740 1.030 1.00 34.15 O ATOM 0 H GLY A 31 8.470 21.967 -1.731 1.00 11.10 H new ATOM 0 HA2 GLY A 31 6.854 22.990 -0.429 1.00 4.50 H new ATOM 0 HA3 GLY A 31 5.595 22.012 -1.158 1.00 4.50 H new ATOM 543 N VAL A 32 7.858 20.556 0.743 1.00 54.24 N ATOM 544 CA VAL A 32 8.037 19.637 1.860 1.00 32.01 C ATOM 545 C VAL A 32 9.286 19.984 2.662 1.00 20.12 C ATOM 546 O VAL A 32 10.114 20.783 2.226 1.00 42.40 O ATOM 547 CB VAL A 32 8.140 18.178 1.376 1.00 15.40 C ATOM 548 CG1 VAL A 32 6.775 17.660 0.948 1.00 11.31 C ATOM 549 CG2 VAL A 32 9.143 18.064 0.238 1.00 10.44 C ATOM 0 H VAL A 32 8.718 20.790 0.247 1.00 54.24 H new ATOM 0 HA VAL A 32 7.159 19.739 2.498 1.00 32.01 H new ATOM 0 HB VAL A 32 8.493 17.563 2.204 1.00 15.40 H new ATOM 0 HG11 VAL A 32 6.867 16.628 0.609 1.00 11.31 H new ATOM 0 HG12 VAL A 32 6.088 17.704 1.793 1.00 11.31 H new ATOM 0 HG13 VAL A 32 6.391 18.276 0.135 1.00 11.31 H new ATOM 0 HG21 VAL A 32 9.203 17.027 -0.092 1.00 10.44 H new ATOM 0 HG22 VAL A 32 8.822 18.691 -0.594 1.00 10.44 H new ATOM 0 HG23 VAL A 32 10.123 18.392 0.583 1.00 10.44 H new ATOM 559 N SER A 33 9.416 19.377 3.837 1.00 34.35 N ATOM 560 CA SER A 33 10.563 19.624 4.703 1.00 32.41 C ATOM 561 C SER A 33 11.710 18.675 4.369 1.00 72.14 C ATOM 562 O SER A 33 11.492 17.562 3.888 1.00 14.52 O ATOM 563 CB SER A 33 10.165 19.463 6.171 1.00 35.34 C ATOM 564 OG SER A 33 9.327 18.334 6.352 1.00 63.30 O ATOM 0 H SER A 33 8.741 18.710 4.211 1.00 34.35 H new ATOM 0 HA SER A 33 10.900 20.647 4.535 1.00 32.41 H new ATOM 0 HB2 SER A 33 11.060 19.357 6.784 1.00 35.34 H new ATOM 0 HB3 SER A 33 9.649 20.361 6.512 1.00 35.34 H new ATOM 0 HG SER A 33 9.088 18.252 7.299 1.00 63.30 H new ATOM 570 N LYS A 34 12.934 19.123 4.626 1.00 31.10 N ATOM 571 CA LYS A 34 14.117 18.316 4.355 1.00 65.25 C ATOM 572 C LYS A 34 13.989 16.933 4.984 1.00 20.44 C ATOM 573 O LYS A 34 14.402 15.932 4.398 1.00 41.31 O ATOM 574 CB LYS A 34 15.370 19.016 4.886 1.00 23.43 C ATOM 575 CG LYS A 34 15.556 20.423 4.346 1.00 65.10 C ATOM 576 CD LYS A 34 15.231 21.471 5.397 1.00 51.24 C ATOM 577 CE LYS A 34 14.306 22.545 4.845 1.00 50.14 C ATOM 578 NZ LYS A 34 14.279 23.754 5.713 1.00 4.42 N ATOM 0 H LYS A 34 13.133 20.042 5.022 1.00 31.10 H new ATOM 0 HA LYS A 34 14.205 18.197 3.275 1.00 65.25 H new ATOM 0 HB2 LYS A 34 15.319 19.057 5.974 1.00 23.43 H new ATOM 0 HB3 LYS A 34 16.245 18.419 4.630 1.00 23.43 H new ATOM 0 HG2 LYS A 34 16.585 20.551 4.009 1.00 65.10 H new ATOM 0 HG3 LYS A 34 14.915 20.568 3.476 1.00 65.10 H new ATOM 0 HD2 LYS A 34 14.762 20.992 6.257 1.00 51.24 H new ATOM 0 HD3 LYS A 34 16.154 21.931 5.752 1.00 51.24 H new ATOM 0 HE2 LYS A 34 14.632 22.825 3.843 1.00 50.14 H new ATOM 0 HE3 LYS A 34 13.297 22.142 4.752 1.00 50.14 H new ATOM 0 HZ1 LYS A 34 13.637 24.462 5.302 1.00 4.42 H new ATOM 0 HZ2 LYS A 34 13.944 23.492 6.662 1.00 4.42 H new ATOM 0 HZ3 LYS A 34 15.237 24.153 5.782 1.00 4.42 H new ATOM 592 N SER A 35 13.413 16.883 6.181 1.00 14.41 N ATOM 593 CA SER A 35 13.232 15.623 6.891 1.00 32.23 C ATOM 594 C SER A 35 12.369 14.661 6.080 1.00 64.22 C ATOM 595 O SER A 35 12.554 13.444 6.135 1.00 15.44 O ATOM 596 CB SER A 35 12.591 15.870 8.258 1.00 2.54 C ATOM 597 OG SER A 35 12.306 14.649 8.917 1.00 75.53 O ATOM 0 H SER A 35 13.064 17.701 6.679 1.00 14.41 H new ATOM 0 HA SER A 35 14.214 15.172 7.034 1.00 32.23 H new ATOM 0 HB2 SER A 35 13.260 16.471 8.873 1.00 2.54 H new ATOM 0 HB3 SER A 35 11.672 16.443 8.134 1.00 2.54 H new ATOM 0 HG SER A 35 11.898 14.835 9.789 1.00 75.53 H new ATOM 603 N THR A 36 11.426 15.215 5.325 1.00 52.02 N ATOM 604 CA THR A 36 10.533 14.408 4.502 1.00 2.33 C ATOM 605 C THR A 36 11.202 14.011 3.191 1.00 4.15 C ATOM 606 O THR A 36 11.015 12.899 2.699 1.00 34.50 O ATOM 607 CB THR A 36 9.225 15.159 4.191 1.00 73.24 C ATOM 608 OG1 THR A 36 8.565 15.520 5.409 1.00 2.31 O ATOM 609 CG2 THR A 36 8.298 14.302 3.342 1.00 62.54 C ATOM 0 H THR A 36 11.261 16.220 5.266 1.00 52.02 H new ATOM 0 HA THR A 36 10.301 13.510 5.074 1.00 2.33 H new ATOM 0 HB THR A 36 9.475 16.061 3.632 1.00 73.24 H new ATOM 0 HG1 THR A 36 8.850 16.417 5.682 1.00 2.31 H new ATOM 0 HG21 THR A 36 7.381 14.853 3.135 1.00 62.54 H new ATOM 0 HG22 THR A 36 8.791 14.053 2.403 1.00 62.54 H new ATOM 0 HG23 THR A 36 8.057 13.385 3.879 1.00 62.54 H new ATOM 617 N VAL A 37 11.985 14.927 2.630 1.00 1.54 N ATOM 618 CA VAL A 37 12.684 14.672 1.377 1.00 63.22 C ATOM 619 C VAL A 37 13.820 13.674 1.575 1.00 75.45 C ATOM 620 O VAL A 37 13.833 12.604 0.965 1.00 63.33 O ATOM 621 CB VAL A 37 13.256 15.971 0.778 1.00 71.40 C ATOM 622 CG1 VAL A 37 14.029 15.675 -0.498 1.00 5.20 C ATOM 623 CG2 VAL A 37 12.141 16.972 0.516 1.00 71.44 C ATOM 0 H VAL A 37 12.151 15.853 3.024 1.00 1.54 H new ATOM 0 HA VAL A 37 11.952 14.254 0.686 1.00 63.22 H new ATOM 0 HB VAL A 37 13.946 16.411 1.498 1.00 71.40 H new ATOM 0 HG11 VAL A 37 14.426 16.604 -0.907 1.00 5.20 H new ATOM 0 HG12 VAL A 37 14.852 14.996 -0.276 1.00 5.20 H new ATOM 0 HG13 VAL A 37 13.364 15.212 -1.227 1.00 5.20 H new ATOM 0 HG21 VAL A 37 12.563 17.884 0.093 1.00 71.44 H new ATOM 0 HG22 VAL A 37 11.425 16.544 -0.186 1.00 71.44 H new ATOM 0 HG23 VAL A 37 11.635 17.207 1.453 1.00 71.44 H new ATOM 633 N HIS A 38 14.771 14.030 2.431 1.00 2.05 N ATOM 634 CA HIS A 38 15.912 13.165 2.711 1.00 75.40 C ATOM 635 C HIS A 38 15.448 11.767 3.110 1.00 71.34 C ATOM 636 O HIS A 38 16.160 10.783 2.905 1.00 15.02 O ATOM 637 CB HIS A 38 16.774 13.765 3.822 1.00 71.32 C ATOM 638 CG HIS A 38 18.000 14.461 3.318 1.00 42.42 C ATOM 639 ND1 HIS A 38 18.520 15.593 3.910 1.00 54.22 N ATOM 640 CD2 HIS A 38 18.812 14.179 2.272 1.00 52.51 C ATOM 641 CE1 HIS A 38 19.597 15.978 3.249 1.00 54.41 C ATOM 642 NE2 HIS A 38 19.796 15.137 2.250 1.00 31.15 N ATOM 0 H HIS A 38 14.775 14.912 2.944 1.00 2.05 H new ATOM 0 HA HIS A 38 16.508 13.086 1.802 1.00 75.40 H new ATOM 0 HB2 HIS A 38 16.174 14.472 4.394 1.00 71.32 H new ATOM 0 HB3 HIS A 38 17.072 12.972 4.508 1.00 71.32 H new ATOM 0 HD1 HIS A 38 18.133 16.060 4.730 1.00 54.22 H new ATOM 0 HD2 HIS A 38 18.706 13.354 1.583 1.00 52.51 H new ATOM 0 HE1 HIS A 38 20.211 16.835 3.485 1.00 54.41 H new ATOM 650 N LYS A 39 14.251 11.686 3.680 1.00 13.13 N ATOM 651 CA LYS A 39 13.691 10.409 4.108 1.00 53.54 C ATOM 652 C LYS A 39 13.552 9.454 2.927 1.00 62.40 C ATOM 653 O LYS A 39 14.023 8.317 2.978 1.00 54.01 O ATOM 654 CB LYS A 39 12.326 10.623 4.767 1.00 24.14 C ATOM 655 CG LYS A 39 11.614 9.330 5.123 1.00 30.43 C ATOM 656 CD LYS A 39 10.913 9.431 6.468 1.00 65.41 C ATOM 657 CE LYS A 39 9.465 8.977 6.377 1.00 34.31 C ATOM 658 NZ LYS A 39 9.294 7.570 6.836 1.00 43.24 N ATOM 0 H LYS A 39 13.649 12.490 3.857 1.00 13.13 H new ATOM 0 HA LYS A 39 14.373 9.966 4.834 1.00 53.54 H new ATOM 0 HB2 LYS A 39 12.458 11.217 5.672 1.00 24.14 H new ATOM 0 HB3 LYS A 39 11.694 11.203 4.094 1.00 24.14 H new ATOM 0 HG2 LYS A 39 10.885 9.090 4.349 1.00 30.43 H new ATOM 0 HG3 LYS A 39 12.334 8.512 5.147 1.00 30.43 H new ATOM 0 HD2 LYS A 39 11.441 8.822 7.201 1.00 65.41 H new ATOM 0 HD3 LYS A 39 10.951 10.461 6.823 1.00 65.41 H new ATOM 0 HE2 LYS A 39 8.840 9.634 6.981 1.00 34.31 H new ATOM 0 HE3 LYS A 39 9.120 9.067 5.347 1.00 34.31 H new ATOM 0 HZ1 LYS A 39 8.293 7.299 6.758 1.00 43.24 H new ATOM 0 HZ2 LYS A 39 9.871 6.939 6.244 1.00 43.24 H new ATOM 0 HZ3 LYS A 39 9.599 7.489 7.827 1.00 43.24 H new ATOM 672 N ASP A 40 12.906 9.922 1.865 1.00 12.12 N ATOM 673 CA ASP A 40 12.708 9.109 0.671 1.00 40.55 C ATOM 674 C ASP A 40 13.952 9.130 -0.213 1.00 14.13 C ATOM 675 O ASP A 40 14.286 8.135 -0.857 1.00 34.55 O ATOM 676 CB ASP A 40 11.498 9.611 -0.119 1.00 41.41 C ATOM 677 CG ASP A 40 10.192 9.384 0.616 1.00 10.13 C ATOM 678 OD1 ASP A 40 10.219 9.305 1.862 1.00 21.11 O ATOM 679 OD2 ASP A 40 9.143 9.285 -0.054 1.00 72.50 O ATOM 0 H ASP A 40 12.510 10.860 1.807 1.00 12.12 H new ATOM 0 HA ASP A 40 12.525 8.082 0.987 1.00 40.55 H new ATOM 0 HB2 ASP A 40 11.617 10.675 -0.322 1.00 41.41 H new ATOM 0 HB3 ASP A 40 11.462 9.104 -1.083 1.00 41.41 H new ATOM 684 N LEU A 41 14.633 10.270 -0.240 1.00 11.25 N ATOM 685 CA LEU A 41 15.840 10.422 -1.045 1.00 32.51 C ATOM 686 C LEU A 41 16.905 9.415 -0.624 1.00 23.52 C ATOM 687 O LEU A 41 17.839 9.130 -1.375 1.00 53.13 O ATOM 688 CB LEU A 41 16.387 11.844 -0.917 1.00 3.14 C ATOM 689 CG LEU A 41 15.812 12.875 -1.889 1.00 20.14 C ATOM 690 CD1 LEU A 41 16.647 12.936 -3.158 1.00 4.11 C ATOM 691 CD2 LEU A 41 14.363 12.547 -2.217 1.00 53.41 C ATOM 0 H LEU A 41 14.370 11.103 0.286 1.00 11.25 H new ATOM 0 HA LEU A 41 15.579 10.233 -2.086 1.00 32.51 H new ATOM 0 HB2 LEU A 41 16.205 12.192 0.100 1.00 3.14 H new ATOM 0 HB3 LEU A 41 17.468 11.810 -1.053 1.00 3.14 H new ATOM 0 HG LEU A 41 15.843 13.854 -1.411 1.00 20.14 H new ATOM 0 HD11 LEU A 41 16.223 13.675 -3.838 1.00 4.11 H new ATOM 0 HD12 LEU A 41 17.670 13.218 -2.907 1.00 4.11 H new ATOM 0 HD13 LEU A 41 16.648 11.958 -3.640 1.00 4.11 H new ATOM 0 HD21 LEU A 41 13.969 13.291 -2.910 1.00 53.41 H new ATOM 0 HD22 LEU A 41 14.308 11.559 -2.675 1.00 53.41 H new ATOM 0 HD23 LEU A 41 13.772 12.555 -1.301 1.00 53.41 H new ATOM 703 N THR A 42 16.759 8.875 0.583 1.00 50.44 N ATOM 704 CA THR A 42 17.708 7.899 1.104 1.00 55.32 C ATOM 705 C THR A 42 17.033 6.554 1.349 1.00 4.33 C ATOM 706 O THR A 42 17.660 5.617 1.842 1.00 41.01 O ATOM 707 CB THR A 42 18.350 8.386 2.416 1.00 21.14 C ATOM 708 OG1 THR A 42 17.361 8.456 3.450 1.00 61.05 O ATOM 709 CG2 THR A 42 18.994 9.752 2.230 1.00 32.51 C ATOM 0 H THR A 42 15.992 9.098 1.218 1.00 50.44 H new ATOM 0 HA THR A 42 18.486 7.780 0.350 1.00 55.32 H new ATOM 0 HB THR A 42 19.124 7.673 2.702 1.00 21.14 H new ATOM 0 HG1 THR A 42 16.784 9.234 3.299 1.00 61.05 H new ATOM 0 HG21 THR A 42 19.441 10.075 3.170 1.00 32.51 H new ATOM 0 HG22 THR A 42 19.767 9.689 1.464 1.00 32.51 H new ATOM 0 HG23 THR A 42 18.236 10.473 1.922 1.00 32.51 H new ATOM 717 N GLU A 43 15.753 6.467 1.002 1.00 62.02 N ATOM 718 CA GLU A 43 14.995 5.235 1.185 1.00 11.14 C ATOM 719 C GLU A 43 14.448 4.730 -0.146 1.00 74.54 C ATOM 720 O GLU A 43 14.953 3.757 -0.708 1.00 54.42 O ATOM 721 CB GLU A 43 13.845 5.460 2.170 1.00 61.44 C ATOM 722 CG GLU A 43 14.288 5.510 3.622 1.00 22.01 C ATOM 723 CD GLU A 43 14.039 4.205 4.354 1.00 51.43 C ATOM 724 OE1 GLU A 43 12.883 3.732 4.347 1.00 5.10 O ATOM 725 OE2 GLU A 43 15.000 3.658 4.933 1.00 64.41 O ATOM 0 H GLU A 43 15.220 7.234 0.593 1.00 62.02 H new ATOM 0 HA GLU A 43 15.669 4.480 1.590 1.00 11.14 H new ATOM 0 HB2 GLU A 43 13.341 6.394 1.920 1.00 61.44 H new ATOM 0 HB3 GLU A 43 13.113 4.661 2.050 1.00 61.44 H new ATOM 0 HG2 GLU A 43 15.350 5.750 3.666 1.00 22.01 H new ATOM 0 HG3 GLU A 43 13.759 6.315 4.132 1.00 22.01 H new ATOM 732 N ARG A 44 13.412 5.396 -0.645 1.00 13.20 N ATOM 733 CA ARG A 44 12.794 5.014 -1.909 1.00 41.11 C ATOM 734 C ARG A 44 13.713 5.338 -3.083 1.00 65.01 C ATOM 735 O ARG A 44 13.952 4.496 -3.950 1.00 33.32 O ATOM 736 CB ARG A 44 11.454 5.731 -2.084 1.00 2.31 C ATOM 737 CG ARG A 44 10.342 5.163 -1.218 1.00 12.33 C ATOM 738 CD ARG A 44 9.693 3.952 -1.868 1.00 73.32 C ATOM 739 NE ARG A 44 10.043 2.710 -1.184 1.00 60.22 N ATOM 740 CZ ARG A 44 9.384 1.568 -1.351 1.00 5.25 C ATOM 741 NH1 ARG A 44 8.347 1.512 -2.174 1.00 31.50 N ATOM 742 NH2 ARG A 44 9.764 0.480 -0.693 1.00 12.14 N ATOM 0 H ARG A 44 12.983 6.203 -0.193 1.00 13.20 H new ATOM 0 HA ARG A 44 12.622 3.938 -1.890 1.00 41.11 H new ATOM 0 HB2 ARG A 44 11.583 6.787 -1.848 1.00 2.31 H new ATOM 0 HB3 ARG A 44 11.154 5.672 -3.130 1.00 2.31 H new ATOM 0 HG2 ARG A 44 10.745 4.883 -0.245 1.00 12.33 H new ATOM 0 HG3 ARG A 44 9.588 5.931 -1.042 1.00 12.33 H new ATOM 0 HD2 ARG A 44 8.610 4.075 -1.864 1.00 73.32 H new ATOM 0 HD3 ARG A 44 10.003 3.891 -2.911 1.00 73.32 H new ATOM 0 HE ARG A 44 10.836 2.720 -0.543 1.00 60.22 H new ATOM 0 HH11 ARG A 44 8.053 2.347 -2.681 1.00 31.50 H new ATOM 0 HH12 ARG A 44 7.843 0.634 -2.300 1.00 31.50 H new ATOM 0 HH21 ARG A 44 10.562 0.520 -0.059 1.00 12.14 H new ATOM 0 HH22 ARG A 44 9.258 -0.396 -0.821 1.00 12.14 H new ATOM 756 N LEU A 45 14.227 6.563 -3.105 1.00 54.14 N ATOM 757 CA LEU A 45 15.120 6.999 -4.173 1.00 52.22 C ATOM 758 C LEU A 45 16.142 5.916 -4.504 1.00 51.54 C ATOM 759 O LEU A 45 16.235 5.442 -5.637 1.00 22.25 O ATOM 760 CB LEU A 45 15.838 8.288 -3.770 1.00 11.13 C ATOM 761 CG LEU A 45 17.212 8.517 -4.401 1.00 32.23 C ATOM 762 CD1 LEU A 45 17.149 8.310 -5.906 1.00 51.41 C ATOM 763 CD2 LEU A 45 17.724 9.912 -4.073 1.00 32.23 C ATOM 0 H LEU A 45 14.041 7.272 -2.396 1.00 54.14 H new ATOM 0 HA LEU A 45 14.518 7.189 -5.062 1.00 52.22 H new ATOM 0 HB2 LEU A 45 15.198 9.132 -4.026 1.00 11.13 H new ATOM 0 HB3 LEU A 45 15.953 8.292 -2.686 1.00 11.13 H new ATOM 0 HG LEU A 45 17.908 7.789 -3.984 1.00 32.23 H new ATOM 0 HD11 LEU A 45 18.136 8.477 -6.338 1.00 51.41 H new ATOM 0 HD12 LEU A 45 16.827 7.291 -6.120 1.00 51.41 H new ATOM 0 HD13 LEU A 45 16.439 9.013 -6.341 1.00 51.41 H new ATOM 0 HD21 LEU A 45 18.703 10.057 -4.530 1.00 32.23 H new ATOM 0 HD22 LEU A 45 17.028 10.656 -4.461 1.00 32.23 H new ATOM 0 HD23 LEU A 45 17.808 10.024 -2.992 1.00 32.23 H new ATOM 775 N PRO A 46 16.926 5.514 -3.494 1.00 24.24 N ATOM 776 CA PRO A 46 17.954 4.480 -3.652 1.00 51.43 C ATOM 777 C PRO A 46 17.354 3.095 -3.868 1.00 42.12 C ATOM 778 O PRO A 46 17.901 2.282 -4.612 1.00 62.21 O ATOM 779 CB PRO A 46 18.717 4.532 -2.326 1.00 54.12 C ATOM 780 CG PRO A 46 17.737 5.079 -1.347 1.00 13.35 C ATOM 781 CD PRO A 46 16.870 6.036 -2.118 1.00 3.11 C ATOM 0 HA PRO A 46 18.580 4.658 -4.526 1.00 51.43 H new ATOM 0 HB2 PRO A 46 19.063 3.542 -2.029 1.00 54.12 H new ATOM 0 HB3 PRO A 46 19.599 5.168 -2.401 1.00 54.12 H new ATOM 0 HG2 PRO A 46 17.140 4.281 -0.905 1.00 13.35 H new ATOM 0 HG3 PRO A 46 18.246 5.587 -0.528 1.00 13.35 H new ATOM 0 HD2 PRO A 46 15.850 6.051 -1.735 1.00 3.11 H new ATOM 0 HD3 PRO A 46 17.248 7.057 -2.060 1.00 3.11 H new ATOM 789 N GLU A 47 16.227 2.834 -3.213 1.00 41.43 N ATOM 790 CA GLU A 47 15.554 1.546 -3.335 1.00 4.43 C ATOM 791 C GLU A 47 15.165 1.270 -4.784 1.00 44.22 C ATOM 792 O GLU A 47 15.362 0.165 -5.291 1.00 4.32 O ATOM 793 CB GLU A 47 14.310 1.510 -2.445 1.00 52.24 C ATOM 794 CG GLU A 47 14.564 0.924 -1.067 1.00 13.44 C ATOM 795 CD GLU A 47 14.650 -0.589 -1.083 1.00 23.42 C ATOM 796 OE1 GLU A 47 15.629 -1.122 -1.646 1.00 24.25 O ATOM 797 OE2 GLU A 47 13.738 -1.241 -0.532 1.00 62.11 O ATOM 0 H GLU A 47 15.761 3.497 -2.593 1.00 41.43 H new ATOM 0 HA GLU A 47 16.247 0.770 -3.010 1.00 4.43 H new ATOM 0 HB2 GLU A 47 13.924 2.523 -2.334 1.00 52.24 H new ATOM 0 HB3 GLU A 47 13.535 0.926 -2.942 1.00 52.24 H new ATOM 0 HG2 GLU A 47 15.492 1.333 -0.668 1.00 13.44 H new ATOM 0 HG3 GLU A 47 13.765 1.232 -0.393 1.00 13.44 H new ATOM 804 N ILE A 48 14.612 2.281 -5.445 1.00 11.41 N ATOM 805 CA ILE A 48 14.196 2.148 -6.835 1.00 53.15 C ATOM 806 C ILE A 48 15.333 2.505 -7.786 1.00 63.23 C ATOM 807 O ILE A 48 15.400 2.001 -8.907 1.00 2.14 O ATOM 808 CB ILE A 48 12.981 3.042 -7.148 1.00 2.12 C ATOM 809 CG1 ILE A 48 13.261 4.486 -6.725 1.00 70.23 C ATOM 810 CG2 ILE A 48 11.739 2.511 -6.448 1.00 52.04 C ATOM 811 CD1 ILE A 48 13.011 5.496 -7.823 1.00 61.11 C ATOM 0 H ILE A 48 14.442 3.202 -5.040 1.00 11.41 H new ATOM 0 HA ILE A 48 13.917 1.105 -6.981 1.00 53.15 H new ATOM 0 HB ILE A 48 12.803 3.026 -8.223 1.00 2.12 H new ATOM 0 HG12 ILE A 48 12.636 4.732 -5.867 1.00 70.23 H new ATOM 0 HG13 ILE A 48 14.298 4.566 -6.398 1.00 70.23 H new ATOM 0 HG21 ILE A 48 10.889 3.153 -6.679 1.00 52.04 H new ATOM 0 HG22 ILE A 48 11.532 1.498 -6.792 1.00 52.04 H new ATOM 0 HG23 ILE A 48 11.905 2.501 -5.371 1.00 52.04 H new ATOM 0 HD11 ILE A 48 13.230 6.498 -7.453 1.00 61.11 H new ATOM 0 HD12 ILE A 48 13.655 5.275 -8.674 1.00 61.11 H new ATOM 0 HD13 ILE A 48 11.968 5.444 -8.134 1.00 61.11 H new ATOM 823 N ASN A 49 16.227 3.376 -7.330 1.00 64.01 N ATOM 824 CA ASN A 49 17.364 3.800 -8.140 1.00 30.41 C ATOM 825 C ASN A 49 18.564 4.135 -7.260 1.00 22.54 C ATOM 826 O ASN A 49 18.665 5.223 -6.693 1.00 23.34 O ATOM 827 CB ASN A 49 16.986 5.014 -8.990 1.00 64.05 C ATOM 828 CG ASN A 49 16.212 4.629 -10.236 1.00 43.14 C ATOM 829 OD1 ASN A 49 15.045 4.245 -10.162 1.00 11.54 O ATOM 830 ND2 ASN A 49 16.861 4.730 -11.391 1.00 22.14 N ATOM 0 H ASN A 49 16.187 3.802 -6.404 1.00 64.01 H new ATOM 0 HA ASN A 49 17.638 2.975 -8.798 1.00 30.41 H new ATOM 0 HB2 ASN A 49 16.388 5.701 -8.392 1.00 64.05 H new ATOM 0 HB3 ASN A 49 17.891 5.548 -9.278 1.00 64.05 H new ATOM 0 HD21 ASN A 49 16.392 4.485 -12.263 1.00 22.14 H new ATOM 0 HD22 ASN A 49 17.828 5.053 -11.406 1.00 22.14 H new ATOM 837 N PRO A 50 19.497 3.178 -7.142 1.00 61.11 N ATOM 838 CA PRO A 50 20.708 3.348 -6.334 1.00 1.22 C ATOM 839 C PRO A 50 21.677 4.355 -6.946 1.00 33.43 C ATOM 840 O PRO A 50 22.303 5.139 -6.233 1.00 43.45 O ATOM 841 CB PRO A 50 21.327 1.948 -6.323 1.00 43.43 C ATOM 842 CG PRO A 50 20.821 1.301 -7.566 1.00 31.23 C ATOM 843 CD PRO A 50 19.442 1.857 -7.790 1.00 32.32 C ATOM 0 HA PRO A 50 20.484 3.737 -5.341 1.00 1.22 H new ATOM 0 HB2 PRO A 50 22.416 1.997 -6.317 1.00 43.43 H new ATOM 0 HB3 PRO A 50 21.028 1.390 -5.436 1.00 43.43 H new ATOM 0 HG2 PRO A 50 21.472 1.519 -8.412 1.00 31.23 H new ATOM 0 HG3 PRO A 50 20.792 0.217 -7.458 1.00 31.23 H new ATOM 0 HD2 PRO A 50 19.210 1.940 -8.852 1.00 32.32 H new ATOM 0 HD3 PRO A 50 18.676 1.223 -7.345 1.00 32.32 H new ATOM 851 N ASP A 51 21.794 4.326 -8.269 1.00 2.44 N ATOM 852 CA ASP A 51 22.686 5.238 -8.977 1.00 32.25 C ATOM 853 C ASP A 51 22.268 6.688 -8.755 1.00 52.13 C ATOM 854 O ASP A 51 23.092 7.538 -8.414 1.00 72.23 O ATOM 855 CB ASP A 51 22.693 4.919 -10.472 1.00 62.43 C ATOM 856 CG ASP A 51 23.659 3.804 -10.822 1.00 24.24 C ATOM 857 OD1 ASP A 51 23.935 2.961 -9.943 1.00 10.05 O ATOM 858 OD2 ASP A 51 24.141 3.774 -11.974 1.00 14.51 O ATOM 0 H ASP A 51 21.283 3.682 -8.873 1.00 2.44 H new ATOM 0 HA ASP A 51 23.692 5.104 -8.580 1.00 32.25 H new ATOM 0 HB2 ASP A 51 21.688 4.636 -10.785 1.00 62.43 H new ATOM 0 HB3 ASP A 51 22.960 5.816 -11.031 1.00 62.43 H new ATOM 863 N LEU A 52 20.984 6.965 -8.952 1.00 74.14 N ATOM 864 CA LEU A 52 20.456 8.313 -8.775 1.00 55.24 C ATOM 865 C LEU A 52 20.576 8.759 -7.322 1.00 24.24 C ATOM 866 O LEU A 52 20.658 9.952 -7.033 1.00 11.23 O ATOM 867 CB LEU A 52 18.993 8.372 -9.219 1.00 33.53 C ATOM 868 CG LEU A 52 18.704 9.193 -10.476 1.00 4.45 C ATOM 869 CD1 LEU A 52 17.303 8.905 -10.992 1.00 44.20 C ATOM 870 CD2 LEU A 52 18.875 10.679 -10.192 1.00 65.33 C ATOM 0 H LEU A 52 20.289 6.274 -9.234 1.00 74.14 H new ATOM 0 HA LEU A 52 21.045 8.990 -9.393 1.00 55.24 H new ATOM 0 HB2 LEU A 52 18.644 7.353 -9.387 1.00 33.53 H new ATOM 0 HB3 LEU A 52 18.402 8.780 -8.399 1.00 33.53 H new ATOM 0 HG LEU A 52 19.418 8.905 -11.247 1.00 4.45 H new ATOM 0 HD11 LEU A 52 17.116 9.498 -11.887 1.00 44.20 H new ATOM 0 HD12 LEU A 52 17.215 7.846 -11.234 1.00 44.20 H new ATOM 0 HD13 LEU A 52 16.573 9.164 -10.225 1.00 44.20 H new ATOM 0 HD21 LEU A 52 18.666 11.249 -11.097 1.00 65.33 H new ATOM 0 HD22 LEU A 52 18.184 10.981 -9.405 1.00 65.33 H new ATOM 0 HD23 LEU A 52 19.898 10.873 -9.870 1.00 65.33 H new ATOM 882 N ALA A 53 20.589 7.791 -6.411 1.00 4.23 N ATOM 883 CA ALA A 53 20.705 8.084 -4.987 1.00 72.43 C ATOM 884 C ALA A 53 22.079 8.654 -4.654 1.00 21.13 C ATOM 885 O ALA A 53 22.236 9.391 -3.681 1.00 62.51 O ATOM 886 CB ALA A 53 20.438 6.830 -4.168 1.00 24.33 C ATOM 0 H ALA A 53 20.521 6.798 -6.633 1.00 4.23 H new ATOM 0 HA ALA A 53 19.958 8.836 -4.733 1.00 72.43 H new ATOM 0 HB1 ALA A 53 20.528 7.062 -3.107 1.00 24.33 H new ATOM 0 HB2 ALA A 53 19.431 6.467 -4.376 1.00 24.33 H new ATOM 0 HB3 ALA A 53 21.163 6.061 -4.433 1.00 24.33 H new ATOM 892 N ASN A 54 23.072 8.307 -5.467 1.00 13.42 N ATOM 893 CA ASN A 54 24.434 8.784 -5.256 1.00 51.25 C ATOM 894 C ASN A 54 24.534 10.282 -5.527 1.00 53.42 C ATOM 895 O ASN A 54 25.274 10.997 -4.852 1.00 33.43 O ATOM 896 CB ASN A 54 25.407 8.025 -6.160 1.00 44.35 C ATOM 897 CG ASN A 54 26.141 6.922 -5.423 1.00 33.32 C ATOM 898 OD1 ASN A 54 26.778 7.162 -4.397 1.00 54.41 O ATOM 899 ND2 ASN A 54 26.054 5.703 -5.944 1.00 1.25 N ATOM 0 H ASN A 54 22.959 7.698 -6.277 1.00 13.42 H new ATOM 0 HA ASN A 54 24.699 8.603 -4.214 1.00 51.25 H new ATOM 0 HB2 ASN A 54 24.859 7.596 -6.999 1.00 44.35 H new ATOM 0 HB3 ASN A 54 26.132 8.724 -6.577 1.00 44.35 H new ATOM 0 HD21 ASN A 54 26.526 4.920 -5.492 1.00 1.25 H new ATOM 0 HD22 ASN A 54 25.515 5.550 -6.796 1.00 1.25 H new ATOM 906 N GLU A 55 23.783 10.750 -6.519 1.00 51.35 N ATOM 907 CA GLU A 55 23.787 12.163 -6.879 1.00 4.40 C ATOM 908 C GLU A 55 23.446 13.033 -5.672 1.00 65.02 C ATOM 909 O GLU A 55 24.220 13.909 -5.286 1.00 22.04 O ATOM 910 CB GLU A 55 22.791 12.428 -8.010 1.00 1.02 C ATOM 911 CG GLU A 55 22.921 11.460 -9.174 1.00 15.11 C ATOM 912 CD GLU A 55 22.084 11.871 -10.370 1.00 34.32 C ATOM 913 OE1 GLU A 55 21.244 12.783 -10.222 1.00 44.42 O ATOM 914 OE2 GLU A 55 22.269 11.279 -11.454 1.00 32.10 O ATOM 0 H GLU A 55 23.164 10.172 -7.087 1.00 51.35 H new ATOM 0 HA GLU A 55 24.790 12.421 -7.220 1.00 4.40 H new ATOM 0 HB2 GLU A 55 21.778 12.370 -7.612 1.00 1.02 H new ATOM 0 HB3 GLU A 55 22.932 13.445 -8.376 1.00 1.02 H new ATOM 0 HG2 GLU A 55 23.967 11.395 -9.473 1.00 15.11 H new ATOM 0 HG3 GLU A 55 22.620 10.464 -8.849 1.00 15.11 H new ATOM 921 N VAL A 56 22.282 12.785 -5.081 1.00 71.43 N ATOM 922 CA VAL A 56 21.837 13.543 -3.918 1.00 45.43 C ATOM 923 C VAL A 56 22.816 13.396 -2.759 1.00 23.41 C ATOM 924 O VAL A 56 22.914 14.271 -1.899 1.00 20.15 O ATOM 925 CB VAL A 56 20.439 13.094 -3.456 1.00 30.54 C ATOM 926 CG1 VAL A 56 20.464 11.637 -3.019 1.00 32.32 C ATOM 927 CG2 VAL A 56 19.937 13.987 -2.331 1.00 41.25 C ATOM 0 H VAL A 56 21.629 12.064 -5.389 1.00 71.43 H new ATOM 0 HA VAL A 56 21.792 14.589 -4.221 1.00 45.43 H new ATOM 0 HB VAL A 56 19.751 13.186 -4.296 1.00 30.54 H new ATOM 0 HG11 VAL A 56 19.467 11.337 -2.696 1.00 32.32 H new ATOM 0 HG12 VAL A 56 20.778 11.012 -3.855 1.00 32.32 H new ATOM 0 HG13 VAL A 56 21.165 11.517 -2.193 1.00 32.32 H new ATOM 0 HG21 VAL A 56 18.947 13.655 -2.017 1.00 41.25 H new ATOM 0 HG22 VAL A 56 20.624 13.929 -1.487 1.00 41.25 H new ATOM 0 HG23 VAL A 56 19.879 15.017 -2.682 1.00 41.25 H new ATOM 937 N LYS A 57 23.541 12.282 -2.742 1.00 11.01 N ATOM 938 CA LYS A 57 24.515 12.018 -1.689 1.00 50.45 C ATOM 939 C LYS A 57 25.814 12.774 -1.949 1.00 2.32 C ATOM 940 O LYS A 57 26.532 13.130 -1.015 1.00 0.31 O ATOM 941 CB LYS A 57 24.797 10.517 -1.591 1.00 53.42 C ATOM 942 CG LYS A 57 26.037 10.183 -0.780 1.00 53.03 C ATOM 943 CD LYS A 57 25.923 10.690 0.647 1.00 12.35 C ATOM 944 CE LYS A 57 24.797 9.996 1.398 1.00 75.25 C ATOM 945 NZ LYS A 57 25.297 9.256 2.589 1.00 62.32 N ATOM 0 H LYS A 57 23.472 11.547 -3.446 1.00 11.01 H new ATOM 0 HA LYS A 57 24.095 12.365 -0.745 1.00 50.45 H new ATOM 0 HB2 LYS A 57 23.935 10.022 -1.142 1.00 53.42 H new ATOM 0 HB3 LYS A 57 24.910 10.111 -2.596 1.00 53.42 H new ATOM 0 HG2 LYS A 57 26.188 9.104 -0.773 1.00 53.03 H new ATOM 0 HG3 LYS A 57 26.913 10.624 -1.255 1.00 53.03 H new ATOM 0 HD2 LYS A 57 26.866 10.525 1.169 1.00 12.35 H new ATOM 0 HD3 LYS A 57 25.747 11.766 0.639 1.00 12.35 H new ATOM 0 HE2 LYS A 57 24.061 10.736 1.713 1.00 75.25 H new ATOM 0 HE3 LYS A 57 24.287 9.304 0.728 1.00 75.25 H new ATOM 0 HZ1 LYS A 57 24.499 8.797 3.073 1.00 62.32 H new ATOM 0 HZ2 LYS A 57 25.980 8.533 2.287 1.00 62.32 H new ATOM 0 HZ3 LYS A 57 25.761 9.920 3.241 1.00 62.32 H new ATOM 959 N GLU A 58 26.109 13.017 -3.222 1.00 74.33 N ATOM 960 CA GLU A 58 27.322 13.731 -3.603 1.00 15.24 C ATOM 961 C GLU A 58 27.272 15.179 -3.124 1.00 45.40 C ATOM 962 O GLU A 58 28.196 15.658 -2.466 1.00 4.05 O ATOM 963 CB GLU A 58 27.509 13.690 -5.121 1.00 4.35 C ATOM 964 CG GLU A 58 28.066 12.371 -5.630 1.00 14.14 C ATOM 965 CD GLU A 58 28.837 12.525 -6.926 1.00 25.22 C ATOM 966 OE1 GLU A 58 29.772 13.352 -6.966 1.00 51.01 O ATOM 967 OE2 GLU A 58 28.507 11.817 -7.900 1.00 75.11 O ATOM 0 H GLU A 58 25.525 12.730 -4.007 1.00 74.33 H new ATOM 0 HA GLU A 58 28.169 13.237 -3.127 1.00 15.24 H new ATOM 0 HB2 GLU A 58 26.549 13.879 -5.602 1.00 4.35 H new ATOM 0 HB3 GLU A 58 28.179 14.497 -5.418 1.00 4.35 H new ATOM 0 HG2 GLU A 58 28.720 11.940 -4.872 1.00 14.14 H new ATOM 0 HG3 GLU A 58 27.246 11.669 -5.781 1.00 14.14 H new ATOM 974 N ILE A 59 26.189 15.871 -3.460 1.00 50.04 N ATOM 975 CA ILE A 59 26.019 17.264 -3.065 1.00 70.30 C ATOM 976 C ILE A 59 26.074 17.415 -1.549 1.00 0.33 C ATOM 977 O ILE A 59 26.493 18.452 -1.032 1.00 61.01 O ATOM 978 CB ILE A 59 24.685 17.836 -3.579 1.00 34.12 C ATOM 979 CG1 ILE A 59 23.508 17.127 -2.905 1.00 53.04 C ATOM 980 CG2 ILE A 59 24.597 17.699 -5.091 1.00 41.25 C ATOM 981 CD1 ILE A 59 22.158 17.674 -3.315 1.00 3.53 C ATOM 0 H ILE A 59 25.416 15.490 -4.005 1.00 50.04 H new ATOM 0 HA ILE A 59 26.841 17.822 -3.514 1.00 70.30 H new ATOM 0 HB ILE A 59 24.640 18.895 -3.327 1.00 34.12 H new ATOM 0 HG12 ILE A 59 23.549 16.065 -3.145 1.00 53.04 H new ATOM 0 HG13 ILE A 59 23.613 17.214 -1.824 1.00 53.04 H new ATOM 0 HG21 ILE A 59 23.648 18.108 -5.439 1.00 41.25 H new ATOM 0 HG22 ILE A 59 25.419 18.245 -5.554 1.00 41.25 H new ATOM 0 HG23 ILE A 59 24.661 16.646 -5.365 1.00 41.25 H new ATOM 0 HD11 ILE A 59 21.371 17.125 -2.799 1.00 3.53 H new ATOM 0 HD12 ILE A 59 22.097 18.730 -3.050 1.00 3.53 H new ATOM 0 HD13 ILE A 59 22.032 17.562 -4.392 1.00 3.53 H new ATOM 993 N LEU A 60 25.650 16.375 -0.840 1.00 30.20 N ATOM 994 CA LEU A 60 25.653 16.391 0.619 1.00 74.52 C ATOM 995 C LEU A 60 27.073 16.524 1.159 1.00 14.44 C ATOM 996 O LEU A 60 27.347 17.373 2.008 1.00 32.35 O ATOM 997 CB LEU A 60 25.005 15.116 1.163 1.00 24.13 C ATOM 998 CG LEU A 60 23.477 15.095 1.184 1.00 14.51 C ATOM 999 CD1 LEU A 60 22.968 13.768 1.725 1.00 52.15 C ATOM 1000 CD2 LEU A 60 22.939 16.252 2.014 1.00 50.54 C ATOM 0 H LEU A 60 25.300 15.510 -1.251 1.00 30.20 H new ATOM 0 HA LEU A 60 25.076 17.255 0.950 1.00 74.52 H new ATOM 0 HB2 LEU A 60 25.352 14.273 0.565 1.00 24.13 H new ATOM 0 HB3 LEU A 60 25.364 14.955 2.179 1.00 24.13 H new ATOM 0 HG LEU A 60 23.118 15.209 0.161 1.00 14.51 H new ATOM 0 HD11 LEU A 60 21.878 13.772 1.732 1.00 52.15 H new ATOM 0 HD12 LEU A 60 23.324 12.956 1.091 1.00 52.15 H new ATOM 0 HD13 LEU A 60 23.337 13.623 2.740 1.00 52.15 H new ATOM 0 HD21 LEU A 60 21.849 16.221 2.018 1.00 50.54 H new ATOM 0 HD22 LEU A 60 23.308 16.169 3.036 1.00 50.54 H new ATOM 0 HD23 LEU A 60 23.274 17.196 1.583 1.00 50.54 H new ATOM 1012 N ASP A 61 27.972 15.683 0.660 1.00 14.35 N ATOM 1013 CA ASP A 61 29.365 15.710 1.091 1.00 72.33 C ATOM 1014 C ASP A 61 29.964 17.101 0.908 1.00 72.45 C ATOM 1015 O ASP A 61 30.903 17.480 1.607 1.00 3.01 O ATOM 1016 CB ASP A 61 30.182 14.682 0.307 1.00 23.52 C ATOM 1017 CG ASP A 61 31.471 14.307 1.013 1.00 52.11 C ATOM 1018 OD1 ASP A 61 31.568 14.543 2.235 1.00 4.25 O ATOM 1019 OD2 ASP A 61 32.381 13.777 0.343 1.00 43.13 O ATOM 0 H ASP A 61 27.761 14.974 -0.043 1.00 14.35 H new ATOM 0 HA ASP A 61 29.397 15.457 2.151 1.00 72.33 H new ATOM 0 HB2 ASP A 61 29.581 13.786 0.153 1.00 23.52 H new ATOM 0 HB3 ASP A 61 30.415 15.083 -0.679 1.00 23.52 H new ATOM 1024 N TYR A 62 29.415 17.856 -0.038 1.00 20.44 N ATOM 1025 CA TYR A 62 29.897 19.203 -0.315 1.00 44.24 C ATOM 1026 C TYR A 62 29.228 20.222 0.602 1.00 32.53 C ATOM 1027 O TYR A 62 29.797 21.271 0.905 1.00 71.21 O ATOM 1028 CB TYR A 62 29.637 19.569 -1.778 1.00 3.34 C ATOM 1029 CG TYR A 62 29.674 21.057 -2.045 1.00 71.01 C ATOM 1030 CD1 TYR A 62 30.861 21.772 -1.946 1.00 61.22 C ATOM 1031 CD2 TYR A 62 28.521 21.748 -2.398 1.00 31.41 C ATOM 1032 CE1 TYR A 62 30.899 23.131 -2.189 1.00 12.21 C ATOM 1033 CE2 TYR A 62 28.549 23.107 -2.644 1.00 25.21 C ATOM 1034 CZ TYR A 62 29.741 23.794 -2.538 1.00 14.14 C ATOM 1035 OH TYR A 62 29.774 25.148 -2.782 1.00 22.13 O ATOM 0 H TYR A 62 28.636 17.557 -0.625 1.00 20.44 H new ATOM 0 HA TYR A 62 30.970 19.223 -0.127 1.00 44.24 H new ATOM 0 HB2 TYR A 62 30.381 19.077 -2.405 1.00 3.34 H new ATOM 0 HB3 TYR A 62 28.663 19.179 -2.074 1.00 3.34 H new ATOM 0 HD1 TYR A 62 31.770 21.256 -1.674 1.00 61.22 H new ATOM 0 HD2 TYR A 62 27.587 21.213 -2.481 1.00 31.41 H new ATOM 0 HE1 TYR A 62 31.830 23.672 -2.106 1.00 12.21 H new ATOM 0 HE2 TYR A 62 27.644 23.629 -2.918 1.00 25.21 H new ATOM 0 HH TYR A 62 28.875 25.460 -3.017 1.00 22.13 H new ATOM 1045 N HIS A 63 28.015 19.904 1.043 1.00 73.51 N ATOM 1046 CA HIS A 63 27.266 20.789 1.928 1.00 41.23 C ATOM 1047 C HIS A 63 27.896 20.829 3.317 1.00 63.04 C ATOM 1048 O HIS A 63 27.726 21.796 4.060 1.00 64.22 O ATOM 1049 CB HIS A 63 25.810 20.333 2.028 1.00 23.13 C ATOM 1050 CG HIS A 63 25.099 20.304 0.710 1.00 24.43 C ATOM 1051 ND1 HIS A 63 24.038 19.464 0.446 1.00 22.42 N ATOM 1052 CD2 HIS A 63 25.302 21.019 -0.421 1.00 31.31 C ATOM 1053 CE1 HIS A 63 23.620 19.662 -0.791 1.00 51.10 C ATOM 1054 NE2 HIS A 63 24.370 20.601 -1.339 1.00 12.31 N ATOM 0 H HIS A 63 27.530 19.040 0.802 1.00 73.51 H new ATOM 0 HA HIS A 63 27.296 21.794 1.506 1.00 41.23 H new ATOM 0 HB2 HIS A 63 25.779 19.337 2.470 1.00 23.13 H new ATOM 0 HB3 HIS A 63 25.275 20.999 2.705 1.00 23.13 H new ATOM 0 HD2 HIS A 63 26.056 21.777 -0.573 1.00 31.31 H new ATOM 0 HE1 HIS A 63 22.804 19.144 -1.273 1.00 51.10 H new ATOM 0 HE2 HIS A 63 24.273 20.958 -2.290 1.00 12.31 H new ATOM 1062 N LYS A 64 28.624 19.772 3.661 1.00 32.04 N ATOM 1063 CA LYS A 64 29.280 19.685 4.960 1.00 2.15 C ATOM 1064 C LYS A 64 30.623 20.408 4.941 1.00 64.42 C ATOM 1065 O LYS A 64 31.103 20.874 5.974 1.00 63.20 O ATOM 1066 CB LYS A 64 29.483 18.221 5.356 1.00 75.43 C ATOM 1067 CG LYS A 64 28.738 17.823 6.619 1.00 44.03 C ATOM 1068 CD LYS A 64 29.680 17.698 7.805 1.00 60.13 C ATOM 1069 CE LYS A 64 30.040 19.060 8.377 1.00 13.50 C ATOM 1070 NZ LYS A 64 30.196 19.017 9.857 1.00 31.33 N ATOM 0 H LYS A 64 28.775 18.963 3.058 1.00 32.04 H new ATOM 0 HA LYS A 64 28.637 20.168 5.696 1.00 2.15 H new ATOM 0 HB2 LYS A 64 29.156 17.583 4.535 1.00 75.43 H new ATOM 0 HB3 LYS A 64 30.548 18.036 5.499 1.00 75.43 H new ATOM 0 HG2 LYS A 64 27.971 18.565 6.839 1.00 44.03 H new ATOM 0 HG3 LYS A 64 28.227 16.874 6.457 1.00 44.03 H new ATOM 0 HD2 LYS A 64 29.213 17.089 8.579 1.00 60.13 H new ATOM 0 HD3 LYS A 64 30.588 17.180 7.497 1.00 60.13 H new ATOM 0 HE2 LYS A 64 30.968 19.410 7.924 1.00 13.50 H new ATOM 0 HE3 LYS A 64 29.265 19.780 8.114 1.00 13.50 H new ATOM 0 HZ1 LYS A 64 30.441 19.965 10.208 1.00 31.33 H new ATOM 0 HZ2 LYS A 64 29.303 18.707 10.291 1.00 31.33 H new ATOM 0 HZ3 LYS A 64 30.953 18.349 10.107 1.00 31.33 H new ATOM 1084 N SER A 65 31.225 20.498 3.759 1.00 75.23 N ATOM 1085 CA SER A 65 32.514 21.162 3.605 1.00 33.44 C ATOM 1086 C SER A 65 32.405 22.645 3.947 1.00 22.41 C ATOM 1087 O SER A 65 33.152 23.156 4.782 1.00 13.41 O ATOM 1088 CB SER A 65 33.031 20.993 2.176 1.00 64.33 C ATOM 1089 OG SER A 65 32.688 19.720 1.656 1.00 21.21 O ATOM 0 H SER A 65 30.840 20.119 2.894 1.00 75.23 H new ATOM 0 HA SER A 65 33.219 20.699 4.295 1.00 33.44 H new ATOM 0 HB2 SER A 65 32.613 21.774 1.540 1.00 64.33 H new ATOM 0 HB3 SER A 65 34.114 21.116 2.161 1.00 64.33 H new ATOM 0 HG SER A 65 33.029 19.638 0.741 1.00 21.21 H new ATOM 1095 N ILE A 66 31.471 23.328 3.296 1.00 53.43 N ATOM 1096 CA ILE A 66 31.263 24.752 3.531 1.00 62.14 C ATOM 1097 C ILE A 66 30.353 24.984 4.732 1.00 23.12 C ATOM 1098 O ILE A 66 30.112 26.124 5.130 1.00 23.43 O ATOM 1099 CB ILE A 66 30.652 25.443 2.297 1.00 21.13 C ATOM 1100 CG1 ILE A 66 29.130 25.286 2.299 1.00 22.51 C ATOM 1101 CG2 ILE A 66 31.248 24.870 1.020 1.00 52.11 C ATOM 1102 CD1 ILE A 66 28.672 23.845 2.244 1.00 14.11 C ATOM 0 H ILE A 66 30.846 22.919 2.601 1.00 53.43 H new ATOM 0 HA ILE A 66 32.243 25.185 3.732 1.00 62.14 H new ATOM 0 HB ILE A 66 30.888 26.506 2.340 1.00 21.13 H new ATOM 0 HG12 ILE A 66 28.726 25.753 3.197 1.00 22.51 H new ATOM 0 HG13 ILE A 66 28.716 25.823 1.446 1.00 22.51 H new ATOM 0 HG21 ILE A 66 30.806 25.368 0.157 1.00 52.11 H new ATOM 0 HG22 ILE A 66 32.326 25.029 1.018 1.00 52.11 H new ATOM 0 HG23 ILE A 66 31.039 23.801 0.968 1.00 52.11 H new ATOM 0 HD11 ILE A 66 27.583 23.809 2.249 1.00 14.11 H new ATOM 0 HD12 ILE A 66 29.047 23.379 1.333 1.00 14.11 H new ATOM 0 HD13 ILE A 66 29.056 23.308 3.111 1.00 14.11 H new ATOM 1114 N ARG A 67 29.852 23.895 5.307 1.00 42.42 N ATOM 1115 CA ARG A 67 28.969 23.980 6.464 1.00 62.12 C ATOM 1116 C ARG A 67 29.574 24.870 7.545 1.00 11.34 C ATOM 1117 O ARG A 67 28.856 25.559 8.271 1.00 34.42 O ATOM 1118 CB ARG A 67 28.699 22.584 7.029 1.00 3.32 C ATOM 1119 CG ARG A 67 27.874 22.593 8.305 1.00 12.34 C ATOM 1120 CD ARG A 67 26.546 23.307 8.105 1.00 72.41 C ATOM 1121 NE ARG A 67 25.420 22.514 8.592 1.00 10.33 N ATOM 1122 CZ ARG A 67 24.153 22.777 8.293 1.00 34.50 C ATOM 1123 NH1 ARG A 67 23.851 23.805 7.512 1.00 65.53 N ATOM 1124 NH2 ARG A 67 23.183 22.009 8.775 1.00 3.32 N ATOM 0 H ARG A 67 30.043 22.944 4.991 1.00 42.42 H new ATOM 0 HA ARG A 67 28.027 24.422 6.140 1.00 62.12 H new ATOM 0 HB2 ARG A 67 28.181 21.990 6.276 1.00 3.32 H new ATOM 0 HB3 ARG A 67 29.651 22.090 7.225 1.00 3.32 H new ATOM 0 HG2 ARG A 67 27.692 21.568 8.629 1.00 12.34 H new ATOM 0 HG3 ARG A 67 28.436 23.084 9.100 1.00 12.34 H new ATOM 0 HD2 ARG A 67 26.567 24.265 8.625 1.00 72.41 H new ATOM 0 HD3 ARG A 67 26.406 23.523 7.046 1.00 72.41 H new ATOM 0 HE ARG A 67 25.618 21.715 9.194 1.00 10.33 H new ATOM 0 HH11 ARG A 67 24.593 24.397 7.139 1.00 65.53 H new ATOM 0 HH12 ARG A 67 22.877 24.004 7.285 1.00 65.53 H new ATOM 0 HH21 ARG A 67 23.411 21.216 9.375 1.00 3.32 H new ATOM 0 HH22 ARG A 67 22.210 22.212 8.545 1.00 3.32 H new ATOM 1138 N HIS A 68 30.899 24.851 7.648 1.00 42.43 N ATOM 1139 CA HIS A 68 31.601 25.657 8.641 1.00 51.13 C ATOM 1140 C HIS A 68 31.164 27.117 8.563 1.00 62.12 C ATOM 1141 O HIS A 68 31.135 27.822 9.573 1.00 61.24 O ATOM 1142 CB HIS A 68 33.113 25.553 8.437 1.00 54.33 C ATOM 1143 CG HIS A 68 33.783 24.614 9.391 1.00 34.42 C ATOM 1144 ND1 HIS A 68 34.162 24.979 10.666 1.00 74.03 N ATOM 1145 CD2 HIS A 68 34.140 23.315 9.252 1.00 53.52 C ATOM 1146 CE1 HIS A 68 34.724 23.947 11.268 1.00 24.22 C ATOM 1147 NE2 HIS A 68 34.723 22.925 10.432 1.00 70.52 N ATOM 0 H HIS A 68 31.508 24.286 7.056 1.00 42.43 H new ATOM 0 HA HIS A 68 31.348 25.273 9.629 1.00 51.13 H new ATOM 0 HB2 HIS A 68 33.312 25.224 7.417 1.00 54.33 H new ATOM 0 HB3 HIS A 68 33.555 26.544 8.545 1.00 54.33 H new ATOM 0 HD2 HIS A 68 33.993 22.700 8.376 1.00 53.52 H new ATOM 0 HE1 HIS A 68 35.118 23.940 12.274 1.00 24.22 H new ATOM 0 HE2 HIS A 68 35.095 21.996 10.631 1.00 70.52 H new ATOM 1155 N LEU A 69 30.826 27.565 7.359 1.00 62.23 N ATOM 1156 CA LEU A 69 30.391 28.941 7.149 1.00 45.43 C ATOM 1157 C LEU A 69 28.909 29.099 7.470 1.00 12.31 C ATOM 1158 O LEU A 69 28.479 30.138 7.972 1.00 44.45 O ATOM 1159 CB LEU A 69 30.660 29.367 5.704 1.00 0.12 C ATOM 1160 CG LEU A 69 32.110 29.256 5.230 1.00 15.02 C ATOM 1161 CD1 LEU A 69 32.168 29.137 3.715 1.00 1.22 C ATOM 1162 CD2 LEU A 69 32.919 30.454 5.705 1.00 61.02 C ATOM 0 H LEU A 69 30.845 26.995 6.513 1.00 62.23 H new ATOM 0 HA LEU A 69 30.960 29.582 7.822 1.00 45.43 H new ATOM 0 HB2 LEU A 69 30.036 28.762 5.046 1.00 0.12 H new ATOM 0 HB3 LEU A 69 30.338 30.402 5.586 1.00 0.12 H new ATOM 0 HG LEU A 69 32.546 28.355 5.661 1.00 15.02 H new ATOM 0 HD11 LEU A 69 33.207 29.059 3.396 1.00 1.22 H new ATOM 0 HD12 LEU A 69 31.623 28.247 3.399 1.00 1.22 H new ATOM 0 HD13 LEU A 69 31.715 30.019 3.263 1.00 1.22 H new ATOM 0 HD21 LEU A 69 33.948 30.358 5.359 1.00 61.02 H new ATOM 0 HD22 LEU A 69 32.484 31.369 5.303 1.00 61.02 H new ATOM 0 HD23 LEU A 69 32.905 30.494 6.794 1.00 61.02 H new ATOM 1174 N ARG A 70 28.132 28.061 7.180 1.00 71.21 N ATOM 1175 CA ARG A 70 26.697 28.084 7.439 1.00 63.12 C ATOM 1176 C ARG A 70 26.415 28.040 8.938 1.00 74.43 C ATOM 1177 O ARG A 70 25.374 28.508 9.398 1.00 61.14 O ATOM 1178 CB ARG A 70 26.013 26.905 6.745 1.00 62.40 C ATOM 1179 CG ARG A 70 26.474 26.690 5.312 1.00 14.44 C ATOM 1180 CD ARG A 70 25.432 25.937 4.499 1.00 24.04 C ATOM 1181 NE ARG A 70 24.264 26.763 4.207 1.00 33.53 N ATOM 1182 CZ ARG A 70 24.277 27.779 3.352 1.00 71.43 C ATOM 1183 NH1 ARG A 70 25.392 28.092 2.707 1.00 2.32 N ATOM 1184 NH2 ARG A 70 23.173 28.483 3.139 1.00 34.21 N ATOM 0 H ARG A 70 28.472 27.193 6.765 1.00 71.21 H new ATOM 0 HA ARG A 70 26.295 29.015 7.038 1.00 63.12 H new ATOM 0 HB2 ARG A 70 26.202 25.998 7.318 1.00 62.40 H new ATOM 0 HB3 ARG A 70 24.935 27.067 6.750 1.00 62.40 H new ATOM 0 HG2 ARG A 70 26.675 27.654 4.845 1.00 14.44 H new ATOM 0 HG3 ARG A 70 27.411 26.133 5.310 1.00 14.44 H new ATOM 0 HD2 ARG A 70 25.878 25.597 3.564 1.00 24.04 H new ATOM 0 HD3 ARG A 70 25.119 25.047 5.046 1.00 24.04 H new ATOM 0 HE ARG A 70 23.390 26.548 4.686 1.00 33.53 H new ATOM 0 HH11 ARG A 70 26.242 27.552 2.867 1.00 2.32 H new ATOM 0 HH12 ARG A 70 25.400 28.873 2.051 1.00 2.32 H new ATOM 0 HH21 ARG A 70 22.313 28.244 3.632 1.00 34.21 H new ATOM 0 HH22 ARG A 70 23.184 29.263 2.482 1.00 34.21 H new