USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 803 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 70 ASN : amide:sc= 0.363 K(o=1.4,f=-0.17) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -136:sc= 1.07 (180deg=0.12) USER MOD Set 2.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 69 MET CE :methyl -163:sc= -0.13 (180deg=-0.562) USER MOD Set 3.1: A 12 THR OG1 : rot 72:sc= 0.713 USER MOD Set 3.2: A 56 MET CE :methyl -157:sc= -0.0338 (180deg=-0.547) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -166:sc= 0.359 (180deg=0.225) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= 0.45 (180deg=0.073) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.049) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 0.691 (180deg=0.639) USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= 0.45 (180deg=0.34) USER MOD Single : A 32 ASN : amide:sc= -0.157 K(o=-0.16,f=-5.2!) USER MOD Single : A 36 MET CE :methyl 155:sc= -0.773 (180deg=-2.44!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.277 K(o=0.28,f=-2.7!) USER MOD Single : A 41 LYS NZ :NH3+ 148:sc= -1.51 (180deg=-3.18!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 48 THR OG1 : rot 70:sc= 0.216 USER MOD Single : A 49 MET CE :methyl 171:sc= -0.846 (180deg=-1.19) USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= 0.446 (180deg=0.0584) USER MOD Single : A 53 THR OG1 : rot -88:sc= -2.01! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 67 THR OG1 : rot -70:sc= 1.23 USER MOD Single : A 75 MET CE :methyl -154:sc= -0.161 (180deg=-2.43) USER MOD Single : A 77 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.13) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 166:sc= 1.37 (180deg=1) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 0.0606 (180deg=-0.0294) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -169:sc= 0 (180deg=-0.142) USER MOD Single : A 98 THR OG1 : rot 74:sc= 0.0349 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -10.845 0.354 16.347 1.00 51.31 N ATOM 110 CA ILE A 8 -9.378 0.156 16.475 1.00 25.33 C ATOM 111 C ILE A 8 -8.945 -1.289 16.086 1.00 23.04 C ATOM 112 O ILE A 8 -8.000 -1.477 15.307 1.00 23.40 O ATOM 113 CB ILE A 8 -8.892 0.512 17.938 1.00 21.34 C ATOM 114 CG1 ILE A 8 -9.245 1.998 18.303 1.00 42.34 C ATOM 115 CG2 ILE A 8 -7.375 0.247 18.132 1.00 44.40 C ATOM 116 CD1 ILE A 8 -8.593 3.055 17.413 1.00 15.35 C ATOM 0 HA ILE A 8 -8.898 0.836 15.772 1.00 25.33 H new ATOM 0 HB ILE A 8 -9.427 -0.149 18.619 1.00 21.34 H new ATOM 0 HG12 ILE A 8 -10.327 2.121 18.254 1.00 42.34 H new ATOM 0 HG13 ILE A 8 -8.950 2.182 19.336 1.00 42.34 H new ATOM 0 HG21 ILE A 8 -7.088 0.506 19.151 1.00 44.40 H new ATOM 0 HG22 ILE A 8 -7.164 -0.807 17.952 1.00 44.40 H new ATOM 0 HG23 ILE A 8 -6.806 0.856 17.429 1.00 44.40 H new ATOM 0 HD11 ILE A 8 -8.898 4.048 17.744 1.00 15.35 H new ATOM 0 HD12 ILE A 8 -7.509 2.967 17.479 1.00 15.35 H new ATOM 0 HD13 ILE A 8 -8.907 2.905 16.380 1.00 15.35 H new ATOM 128 N LYS A 9 -9.668 -2.298 16.603 1.00 23.15 N ATOM 129 CA LYS A 9 -9.380 -3.724 16.300 1.00 63.53 C ATOM 130 C LYS A 9 -9.780 -4.105 14.846 1.00 43.33 C ATOM 131 O LYS A 9 -9.068 -4.866 14.179 1.00 2.03 O ATOM 132 CB LYS A 9 -10.088 -4.665 17.312 1.00 44.04 C ATOM 133 CG LYS A 9 -11.637 -4.608 17.308 1.00 61.40 C ATOM 134 CD LYS A 9 -12.297 -5.697 18.189 1.00 51.30 C ATOM 135 CE LYS A 9 -12.025 -7.121 17.665 1.00 62.12 C ATOM 136 NZ LYS A 9 -12.761 -8.167 18.428 1.00 4.53 N ATOM 0 H LYS A 9 -10.458 -2.159 17.234 1.00 23.15 H new ATOM 0 HA LYS A 9 -8.302 -3.853 16.394 1.00 63.53 H new ATOM 0 HB2 LYS A 9 -9.779 -5.690 17.105 1.00 44.04 H new ATOM 0 HB3 LYS A 9 -9.736 -4.422 18.315 1.00 44.04 H new ATOM 0 HG2 LYS A 9 -11.958 -3.626 17.657 1.00 61.40 H new ATOM 0 HG3 LYS A 9 -11.994 -4.715 16.284 1.00 61.40 H new ATOM 0 HD2 LYS A 9 -11.923 -5.611 19.209 1.00 51.30 H new ATOM 0 HD3 LYS A 9 -13.373 -5.526 18.228 1.00 51.30 H new ATOM 0 HE2 LYS A 9 -12.309 -7.177 16.614 1.00 62.12 H new ATOM 0 HE3 LYS A 9 -10.955 -7.324 17.717 1.00 62.12 H new ATOM 0 HZ1 LYS A 9 -12.541 -9.104 18.033 1.00 4.53 H new ATOM 0 HZ2 LYS A 9 -12.473 -8.136 19.427 1.00 4.53 H new ATOM 0 HZ3 LYS A 9 -13.784 -7.993 18.358 1.00 4.53 H new ATOM 150 N LYS A 10 -10.917 -3.558 14.371 1.00 13.24 N ATOM 151 CA LYS A 10 -11.478 -3.860 13.032 1.00 2.11 C ATOM 152 C LYS A 10 -10.575 -3.320 11.906 1.00 60.44 C ATOM 153 O LYS A 10 -10.229 -4.049 10.982 1.00 44.21 O ATOM 154 CB LYS A 10 -12.901 -3.252 12.902 1.00 43.30 C ATOM 155 CG LYS A 10 -13.675 -3.637 11.616 1.00 20.21 C ATOM 156 CD LYS A 10 -15.079 -2.980 11.550 1.00 75.24 C ATOM 157 CE LYS A 10 -15.931 -3.489 10.373 1.00 22.03 C ATOM 158 NZ LYS A 10 -15.281 -3.269 9.052 1.00 51.22 N ATOM 0 H LYS A 10 -11.476 -2.892 14.904 1.00 13.24 H new ATOM 0 HA LYS A 10 -11.533 -4.944 12.930 1.00 2.11 H new ATOM 0 HB2 LYS A 10 -13.490 -3.561 13.766 1.00 43.30 H new ATOM 0 HB3 LYS A 10 -12.819 -2.166 12.944 1.00 43.30 H new ATOM 0 HG2 LYS A 10 -13.095 -3.337 10.743 1.00 20.21 H new ATOM 0 HG3 LYS A 10 -13.782 -4.721 11.571 1.00 20.21 H new ATOM 0 HD2 LYS A 10 -15.608 -3.173 12.483 1.00 75.24 H new ATOM 0 HD3 LYS A 10 -14.964 -1.899 11.466 1.00 75.24 H new ATOM 0 HE2 LYS A 10 -16.125 -4.554 10.505 1.00 22.03 H new ATOM 0 HE3 LYS A 10 -16.897 -2.985 10.386 1.00 22.03 H new ATOM 0 HZ1 LYS A 10 -15.980 -3.406 8.294 1.00 51.22 H new ATOM 0 HZ2 LYS A 10 -14.906 -2.300 9.007 1.00 51.22 H new ATOM 0 HZ3 LYS A 10 -14.502 -3.947 8.931 1.00 51.22 H new ATOM 172 N VAL A 11 -10.179 -2.037 12.029 1.00 64.20 N ATOM 173 CA VAL A 11 -9.397 -1.313 10.995 1.00 62.04 C ATOM 174 C VAL A 11 -7.974 -1.911 10.827 1.00 61.44 C ATOM 175 O VAL A 11 -7.344 -1.770 9.770 1.00 75.25 O ATOM 176 CB VAL A 11 -9.339 0.236 11.304 1.00 1.41 C ATOM 177 CG1 VAL A 11 -8.402 0.567 12.491 1.00 14.44 C ATOM 178 CG2 VAL A 11 -8.968 1.057 10.047 1.00 63.44 C ATOM 0 H VAL A 11 -10.391 -1.468 12.849 1.00 64.20 H new ATOM 0 HA VAL A 11 -9.914 -1.443 10.044 1.00 62.04 H new ATOM 0 HB VAL A 11 -10.345 0.529 11.605 1.00 1.41 H new ATOM 0 HG11 VAL A 11 -8.398 1.643 12.662 1.00 14.44 H new ATOM 0 HG12 VAL A 11 -8.757 0.059 13.387 1.00 14.44 H new ATOM 0 HG13 VAL A 11 -7.391 0.232 12.260 1.00 14.44 H new ATOM 0 HG21 VAL A 11 -8.938 2.117 10.300 1.00 63.44 H new ATOM 0 HG22 VAL A 11 -7.990 0.743 9.683 1.00 63.44 H new ATOM 0 HG23 VAL A 11 -9.714 0.890 9.270 1.00 63.44 H new ATOM 188 N THR A 12 -7.494 -2.602 11.882 1.00 33.14 N ATOM 189 CA THR A 12 -6.256 -3.404 11.828 1.00 21.32 C ATOM 190 C THR A 12 -6.395 -4.539 10.788 1.00 23.24 C ATOM 191 O THR A 12 -5.542 -4.698 9.922 1.00 4.13 O ATOM 192 CB THR A 12 -5.912 -4.020 13.226 1.00 72.11 C ATOM 193 OG1 THR A 12 -5.874 -2.986 14.218 1.00 22.34 O ATOM 194 CG2 THR A 12 -4.561 -4.764 13.228 1.00 14.54 C ATOM 0 H THR A 12 -7.953 -2.619 12.793 1.00 33.14 H new ATOM 0 HA THR A 12 -5.446 -2.736 11.535 1.00 21.32 H new ATOM 0 HB THR A 12 -6.694 -4.744 13.454 1.00 72.11 H new ATOM 0 HG1 THR A 12 -6.785 -2.678 14.404 1.00 22.34 H new ATOM 0 HG21 THR A 12 -4.371 -5.171 14.221 1.00 14.54 H new ATOM 0 HG22 THR A 12 -4.592 -5.577 12.502 1.00 14.54 H new ATOM 0 HG23 THR A 12 -3.763 -4.070 12.962 1.00 14.54 H new ATOM 202 N ASP A 13 -7.498 -5.305 10.875 1.00 4.24 N ATOM 203 CA ASP A 13 -7.788 -6.424 9.942 1.00 0.45 C ATOM 204 C ASP A 13 -8.265 -5.947 8.552 1.00 23.42 C ATOM 205 O ASP A 13 -8.057 -6.653 7.555 1.00 61.50 O ATOM 206 CB ASP A 13 -8.790 -7.413 10.574 1.00 13.54 C ATOM 207 CG ASP A 13 -8.154 -8.198 11.730 1.00 11.41 C ATOM 208 OD1 ASP A 13 -7.132 -8.895 11.492 1.00 13.22 O ATOM 209 OD2 ASP A 13 -8.636 -8.109 12.874 1.00 22.21 O ATOM 0 H ASP A 13 -8.214 -5.171 11.589 1.00 4.24 H new ATOM 0 HA ASP A 13 -6.846 -6.944 9.772 1.00 0.45 H new ATOM 0 HB2 ASP A 13 -9.660 -6.867 10.939 1.00 13.54 H new ATOM 0 HB3 ASP A 13 -9.146 -8.108 9.813 1.00 13.54 H new ATOM 214 N GLU A 14 -8.917 -4.768 8.495 1.00 41.40 N ATOM 215 CA GLU A 14 -9.253 -4.093 7.216 1.00 34.32 C ATOM 216 C GLU A 14 -7.970 -3.797 6.412 1.00 50.50 C ATOM 217 O GLU A 14 -7.954 -3.901 5.185 1.00 53.52 O ATOM 218 CB GLU A 14 -10.028 -2.769 7.468 1.00 20.54 C ATOM 219 CG GLU A 14 -11.414 -2.928 8.121 1.00 24.04 C ATOM 220 CD GLU A 14 -12.407 -3.764 7.294 1.00 13.22 C ATOM 221 OE1 GLU A 14 -12.658 -3.417 6.122 1.00 70.42 O ATOM 222 OE2 GLU A 14 -12.956 -4.761 7.815 1.00 23.41 O ATOM 0 H GLU A 14 -9.225 -4.258 9.323 1.00 41.40 H new ATOM 0 HA GLU A 14 -9.891 -4.765 6.643 1.00 34.32 H new ATOM 0 HB2 GLU A 14 -9.418 -2.126 8.102 1.00 20.54 H new ATOM 0 HB3 GLU A 14 -10.151 -2.253 6.516 1.00 20.54 H new ATOM 0 HG2 GLU A 14 -11.291 -3.393 9.099 1.00 24.04 H new ATOM 0 HG3 GLU A 14 -11.840 -1.939 8.289 1.00 24.04 H new ATOM 229 N LEU A 15 -6.897 -3.438 7.142 1.00 12.24 N ATOM 230 CA LEU A 15 -5.552 -3.229 6.576 1.00 40.02 C ATOM 231 C LEU A 15 -4.999 -4.533 5.922 1.00 1.04 C ATOM 232 O LEU A 15 -4.402 -4.466 4.850 1.00 3.43 O ATOM 233 CB LEU A 15 -4.617 -2.651 7.689 1.00 30.02 C ATOM 234 CG LEU A 15 -3.096 -2.397 7.339 1.00 14.52 C ATOM 235 CD1 LEU A 15 -2.517 -1.232 8.182 1.00 3.34 C ATOM 236 CD2 LEU A 15 -2.238 -3.672 7.554 1.00 5.04 C ATOM 0 H LEU A 15 -6.940 -3.284 8.149 1.00 12.24 H new ATOM 0 HA LEU A 15 -5.600 -2.501 5.766 1.00 40.02 H new ATOM 0 HB2 LEU A 15 -5.043 -1.705 8.022 1.00 30.02 H new ATOM 0 HB3 LEU A 15 -4.652 -3.333 8.539 1.00 30.02 H new ATOM 0 HG LEU A 15 -3.055 -2.128 6.284 1.00 14.52 H new ATOM 0 HD11 LEU A 15 -1.470 -1.079 7.921 1.00 3.34 H new ATOM 0 HD12 LEU A 15 -3.079 -0.321 7.977 1.00 3.34 H new ATOM 0 HD13 LEU A 15 -2.595 -1.476 9.242 1.00 3.34 H new ATOM 0 HD21 LEU A 15 -1.199 -3.458 7.303 1.00 5.04 H new ATOM 0 HD22 LEU A 15 -2.303 -3.983 8.597 1.00 5.04 H new ATOM 0 HD23 LEU A 15 -2.609 -4.472 6.913 1.00 5.04 H new ATOM 248 N LYS A 16 -5.227 -5.716 6.559 1.00 40.21 N ATOM 249 CA LYS A 16 -4.810 -7.040 5.979 1.00 73.43 C ATOM 250 C LYS A 16 -5.556 -7.335 4.649 1.00 1.43 C ATOM 251 O LYS A 16 -4.940 -7.782 3.666 1.00 40.00 O ATOM 252 CB LYS A 16 -5.053 -8.235 6.961 1.00 54.25 C ATOM 253 CG LYS A 16 -4.064 -8.395 8.146 1.00 44.04 C ATOM 254 CD LYS A 16 -4.114 -7.241 9.164 1.00 64.30 C ATOM 255 CE LYS A 16 -3.456 -7.585 10.513 1.00 31.22 C ATOM 256 NZ LYS A 16 -4.154 -8.705 11.205 1.00 41.53 N ATOM 0 H LYS A 16 -5.691 -5.788 7.464 1.00 40.21 H new ATOM 0 HA LYS A 16 -3.739 -6.954 5.795 1.00 73.43 H new ATOM 0 HB2 LYS A 16 -6.058 -8.135 7.371 1.00 54.25 H new ATOM 0 HB3 LYS A 16 -5.036 -9.157 6.381 1.00 54.25 H new ATOM 0 HG2 LYS A 16 -4.280 -9.331 8.662 1.00 44.04 H new ATOM 0 HG3 LYS A 16 -3.051 -8.475 7.752 1.00 44.04 H new ATOM 0 HD2 LYS A 16 -3.617 -6.369 8.738 1.00 64.30 H new ATOM 0 HD3 LYS A 16 -5.154 -6.963 9.336 1.00 64.30 H new ATOM 0 HE2 LYS A 16 -2.413 -7.854 10.349 1.00 31.22 H new ATOM 0 HE3 LYS A 16 -3.461 -6.703 11.154 1.00 31.22 H new ATOM 0 HZ1 LYS A 16 -3.879 -8.719 12.208 1.00 41.53 H new ATOM 0 HZ2 LYS A 16 -5.183 -8.572 11.130 1.00 41.53 H new ATOM 0 HZ3 LYS A 16 -3.888 -9.607 10.761 1.00 41.53 H new ATOM 270 N GLU A 17 -6.888 -7.087 4.642 1.00 10.32 N ATOM 271 CA GLU A 17 -7.728 -7.182 3.417 1.00 43.54 C ATOM 272 C GLU A 17 -7.203 -6.253 2.326 1.00 22.22 C ATOM 273 O GLU A 17 -7.152 -6.608 1.143 1.00 15.50 O ATOM 274 CB GLU A 17 -9.210 -6.828 3.731 1.00 53.45 C ATOM 275 CG GLU A 17 -10.178 -6.977 2.530 1.00 33.44 C ATOM 276 CD GLU A 17 -11.627 -6.570 2.855 1.00 3.42 C ATOM 277 OE1 GLU A 17 -11.929 -5.358 2.835 1.00 20.14 O ATOM 278 OE2 GLU A 17 -12.463 -7.453 3.147 1.00 3.13 O ATOM 0 H GLU A 17 -7.409 -6.818 5.476 1.00 10.32 H new ATOM 0 HA GLU A 17 -7.677 -8.211 3.062 1.00 43.54 H new ATOM 0 HB2 GLU A 17 -9.558 -7.467 4.543 1.00 53.45 H new ATOM 0 HB3 GLU A 17 -9.256 -5.801 4.092 1.00 53.45 H new ATOM 0 HG2 GLU A 17 -9.815 -6.367 1.703 1.00 33.44 H new ATOM 0 HG3 GLU A 17 -10.167 -8.013 2.191 1.00 33.44 H new ATOM 285 N LEU A 18 -6.772 -5.079 2.757 1.00 33.21 N ATOM 286 CA LEU A 18 -6.319 -4.014 1.877 1.00 42.31 C ATOM 287 C LEU A 18 -4.968 -4.354 1.208 1.00 13.34 C ATOM 288 O LEU A 18 -4.754 -3.998 0.049 1.00 34.13 O ATOM 289 CB LEU A 18 -6.252 -2.691 2.690 1.00 34.32 C ATOM 290 CG LEU A 18 -6.420 -1.370 1.878 1.00 11.24 C ATOM 291 CD1 LEU A 18 -7.563 -1.501 0.847 1.00 4.15 C ATOM 292 CD2 LEU A 18 -6.662 -0.172 2.829 1.00 53.10 C ATOM 0 H LEU A 18 -6.726 -4.835 3.746 1.00 33.21 H new ATOM 0 HA LEU A 18 -7.031 -3.895 1.060 1.00 42.31 H new ATOM 0 HB2 LEU A 18 -7.026 -2.722 3.457 1.00 34.32 H new ATOM 0 HB3 LEU A 18 -5.293 -2.655 3.206 1.00 34.32 H new ATOM 0 HG LEU A 18 -5.496 -1.185 1.330 1.00 11.24 H new ATOM 0 HD11 LEU A 18 -7.662 -0.568 0.293 1.00 4.15 H new ATOM 0 HD12 LEU A 18 -7.337 -2.312 0.155 1.00 4.15 H new ATOM 0 HD13 LEU A 18 -8.498 -1.716 1.365 1.00 4.15 H new ATOM 0 HD21 LEU A 18 -6.777 0.740 2.243 1.00 53.10 H new ATOM 0 HD22 LEU A 18 -7.567 -0.346 3.410 1.00 53.10 H new ATOM 0 HD23 LEU A 18 -5.812 -0.066 3.504 1.00 53.10 H new ATOM 304 N ILE A 19 -4.066 -5.050 1.951 1.00 5.24 N ATOM 305 CA ILE A 19 -2.789 -5.574 1.387 1.00 35.44 C ATOM 306 C ILE A 19 -3.093 -6.551 0.227 1.00 73.53 C ATOM 307 O ILE A 19 -2.449 -6.502 -0.816 1.00 61.44 O ATOM 308 CB ILE A 19 -1.900 -6.310 2.476 1.00 73.14 C ATOM 309 CG1 ILE A 19 -1.560 -5.360 3.670 1.00 45.35 C ATOM 310 CG2 ILE A 19 -0.590 -6.896 1.859 1.00 62.02 C ATOM 311 CD1 ILE A 19 -0.846 -6.039 4.836 1.00 32.23 C ATOM 0 H ILE A 19 -4.198 -5.262 2.940 1.00 5.24 H new ATOM 0 HA ILE A 19 -2.221 -4.717 1.025 1.00 35.44 H new ATOM 0 HB ILE A 19 -2.493 -7.142 2.855 1.00 73.14 H new ATOM 0 HG12 ILE A 19 -0.936 -4.545 3.303 1.00 45.35 H new ATOM 0 HG13 ILE A 19 -2.484 -4.913 4.037 1.00 45.35 H new ATOM 0 HG21 ILE A 19 -0.011 -7.391 2.638 1.00 62.02 H new ATOM 0 HG22 ILE A 19 -0.845 -7.617 1.082 1.00 62.02 H new ATOM 0 HG23 ILE A 19 0.001 -6.089 1.425 1.00 62.02 H new ATOM 0 HD11 ILE A 19 -0.649 -5.306 5.619 1.00 32.23 H new ATOM 0 HD12 ILE A 19 -1.475 -6.835 5.234 1.00 32.23 H new ATOM 0 HD13 ILE A 19 0.097 -6.461 4.489 1.00 32.23 H new ATOM 323 N GLN A 20 -4.107 -7.416 0.430 1.00 55.14 N ATOM 324 CA GLN A 20 -4.571 -8.371 -0.602 1.00 73.32 C ATOM 325 C GLN A 20 -5.082 -7.640 -1.872 1.00 31.44 C ATOM 326 O GLN A 20 -4.679 -7.983 -2.981 1.00 55.34 O ATOM 327 CB GLN A 20 -5.680 -9.295 -0.030 1.00 22.25 C ATOM 328 CG GLN A 20 -6.203 -10.355 -1.023 1.00 2.54 C ATOM 329 CD GLN A 20 -7.259 -11.287 -0.426 1.00 52.15 C ATOM 330 OE1 GLN A 20 -8.453 -11.018 -0.487 1.00 62.11 O ATOM 331 NE2 GLN A 20 -6.827 -12.394 0.150 1.00 61.44 N ATOM 0 H GLN A 20 -4.625 -7.474 1.307 1.00 55.14 H new ATOM 0 HA GLN A 20 -3.716 -8.981 -0.891 1.00 73.32 H new ATOM 0 HB2 GLN A 20 -5.293 -9.802 0.854 1.00 22.25 H new ATOM 0 HB3 GLN A 20 -6.517 -8.678 0.298 1.00 22.25 H new ATOM 0 HG2 GLN A 20 -6.626 -9.850 -1.891 1.00 2.54 H new ATOM 0 HG3 GLN A 20 -5.364 -10.952 -1.379 1.00 2.54 H new ATOM 0 HE21 GLN A 20 -5.827 -12.593 0.187 1.00 61.44 H new ATOM 0 HE22 GLN A 20 -7.493 -13.050 0.558 1.00 61.44 H new ATOM 340 N ASN A 21 -5.952 -6.620 -1.685 1.00 71.13 N ATOM 341 CA ASN A 21 -6.496 -5.811 -2.808 1.00 70.43 C ATOM 342 C ASN A 21 -5.369 -5.114 -3.618 1.00 30.41 C ATOM 343 O ASN A 21 -5.320 -5.237 -4.843 1.00 44.14 O ATOM 344 CB ASN A 21 -7.515 -4.752 -2.306 1.00 44.21 C ATOM 345 CG ASN A 21 -8.844 -5.366 -1.853 1.00 32.53 C ATOM 346 OD1 ASN A 21 -9.731 -5.612 -2.659 1.00 24.13 O ATOM 347 ND2 ASN A 21 -9.019 -5.572 -0.570 1.00 52.32 N ATOM 0 H ASN A 21 -6.294 -6.335 -0.767 1.00 71.13 H new ATOM 0 HA ASN A 21 -7.013 -6.507 -3.469 1.00 70.43 H new ATOM 0 HB2 ASN A 21 -7.076 -4.198 -1.476 1.00 44.21 H new ATOM 0 HB3 ASN A 21 -7.706 -4.034 -3.103 1.00 44.21 H new ATOM 0 HD21 ASN A 21 -9.906 -5.943 -0.229 1.00 52.32 H new ATOM 0 HD22 ASN A 21 -8.268 -5.361 0.087 1.00 52.32 H new ATOM 354 N VAL A 22 -4.458 -4.421 -2.904 1.00 72.22 N ATOM 355 CA VAL A 22 -3.310 -3.710 -3.517 1.00 21.43 C ATOM 356 C VAL A 22 -2.399 -4.675 -4.300 1.00 42.33 C ATOM 357 O VAL A 22 -2.134 -4.433 -5.468 1.00 20.24 O ATOM 358 CB VAL A 22 -2.472 -2.918 -2.434 1.00 4.43 C ATOM 359 CG1 VAL A 22 -1.103 -2.425 -2.969 1.00 31.22 C ATOM 360 CG2 VAL A 22 -3.285 -1.727 -1.900 1.00 54.42 C ATOM 0 H VAL A 22 -4.495 -4.337 -1.888 1.00 72.22 H new ATOM 0 HA VAL A 22 -3.724 -2.988 -4.221 1.00 21.43 H new ATOM 0 HB VAL A 22 -2.264 -3.619 -1.626 1.00 4.43 H new ATOM 0 HG11 VAL A 22 -0.576 -1.889 -2.180 1.00 31.22 H new ATOM 0 HG12 VAL A 22 -0.507 -3.281 -3.287 1.00 31.22 H new ATOM 0 HG13 VAL A 22 -1.262 -1.758 -3.816 1.00 31.22 H new ATOM 0 HG21 VAL A 22 -2.697 -1.190 -1.155 1.00 54.42 H new ATOM 0 HG22 VAL A 22 -3.529 -1.055 -2.723 1.00 54.42 H new ATOM 0 HG23 VAL A 22 -4.205 -2.090 -1.443 1.00 54.42 H new ATOM 370 N ASN A 23 -1.953 -5.768 -3.651 1.00 43.22 N ATOM 371 CA ASN A 23 -1.095 -6.801 -4.290 1.00 44.12 C ATOM 372 C ASN A 23 -1.745 -7.378 -5.570 1.00 63.44 C ATOM 373 O ASN A 23 -1.070 -7.529 -6.579 1.00 14.53 O ATOM 374 CB ASN A 23 -0.757 -7.948 -3.296 1.00 34.15 C ATOM 375 CG ASN A 23 0.222 -7.543 -2.186 1.00 13.02 C ATOM 376 OD1 ASN A 23 0.308 -6.383 -1.795 1.00 73.21 O ATOM 377 ND2 ASN A 23 0.958 -8.505 -1.660 1.00 70.35 N ATOM 0 H ASN A 23 -2.172 -5.965 -2.674 1.00 43.22 H new ATOM 0 HA ASN A 23 -0.167 -6.306 -4.577 1.00 44.12 H new ATOM 0 HB2 ASN A 23 -1.681 -8.304 -2.840 1.00 34.15 H new ATOM 0 HB3 ASN A 23 -0.334 -8.784 -3.852 1.00 34.15 H new ATOM 0 HD21 ASN A 23 1.617 -8.292 -0.911 1.00 70.35 H new ATOM 0 HD22 ASN A 23 0.868 -9.461 -2.003 1.00 70.35 H new ATOM 384 N ASP A 24 -3.057 -7.666 -5.515 1.00 61.43 N ATOM 385 CA ASP A 24 -3.838 -8.160 -6.677 1.00 22.32 C ATOM 386 C ASP A 24 -3.902 -7.126 -7.830 1.00 62.30 C ATOM 387 O ASP A 24 -3.798 -7.493 -9.011 1.00 51.23 O ATOM 388 CB ASP A 24 -5.262 -8.572 -6.216 1.00 64.44 C ATOM 389 CG ASP A 24 -5.306 -9.921 -5.464 1.00 14.03 C ATOM 390 OD1 ASP A 24 -4.314 -10.290 -4.788 1.00 23.11 O ATOM 391 OD2 ASP A 24 -6.329 -10.631 -5.555 1.00 22.02 O ATOM 0 H ASP A 24 -3.612 -7.565 -4.665 1.00 61.43 H new ATOM 0 HA ASP A 24 -3.323 -9.034 -7.077 1.00 22.32 H new ATOM 0 HB2 ASP A 24 -5.665 -7.792 -5.569 1.00 64.44 H new ATOM 0 HB3 ASP A 24 -5.914 -8.631 -7.088 1.00 64.44 H new ATOM 396 N ASP A 25 -4.062 -5.845 -7.477 1.00 22.54 N ATOM 397 CA ASP A 25 -4.003 -4.730 -8.448 1.00 31.54 C ATOM 398 C ASP A 25 -2.583 -4.600 -9.066 1.00 23.21 C ATOM 399 O ASP A 25 -2.452 -4.310 -10.260 1.00 72.15 O ATOM 400 CB ASP A 25 -4.441 -3.406 -7.768 1.00 23.12 C ATOM 401 CG ASP A 25 -5.967 -3.261 -7.634 1.00 3.43 C ATOM 402 OD1 ASP A 25 -6.670 -3.315 -8.670 1.00 71.33 O ATOM 403 OD2 ASP A 25 -6.482 -3.082 -6.515 1.00 25.03 O ATOM 0 H ASP A 25 -4.235 -5.546 -6.517 1.00 22.54 H new ATOM 0 HA ASP A 25 -4.695 -4.945 -9.263 1.00 31.54 H new ATOM 0 HB2 ASP A 25 -3.990 -3.349 -6.777 1.00 23.12 H new ATOM 0 HB3 ASP A 25 -4.053 -2.565 -8.344 1.00 23.12 H new ATOM 408 N ILE A 26 -1.532 -4.850 -8.249 1.00 60.20 N ATOM 409 CA ILE A 26 -0.129 -4.852 -8.720 1.00 3.42 C ATOM 410 C ILE A 26 0.134 -6.063 -9.649 1.00 61.15 C ATOM 411 O ILE A 26 0.904 -5.945 -10.573 1.00 31.30 O ATOM 412 CB ILE A 26 0.921 -4.861 -7.535 1.00 4.11 C ATOM 413 CG1 ILE A 26 0.692 -3.679 -6.543 1.00 30.10 C ATOM 414 CG2 ILE A 26 2.374 -4.799 -8.075 1.00 1.25 C ATOM 415 CD1 ILE A 26 1.493 -3.767 -5.249 1.00 25.40 C ATOM 0 H ILE A 26 -1.632 -5.054 -7.255 1.00 60.20 H new ATOM 0 HA ILE A 26 0.007 -3.922 -9.272 1.00 3.42 H new ATOM 0 HB ILE A 26 0.773 -5.798 -6.998 1.00 4.11 H new ATOM 0 HG12 ILE A 26 0.944 -2.746 -7.047 1.00 30.10 H new ATOM 0 HG13 ILE A 26 -0.368 -3.631 -6.295 1.00 30.10 H new ATOM 0 HG21 ILE A 26 3.073 -4.807 -7.239 1.00 1.25 H new ATOM 0 HG22 ILE A 26 2.562 -5.662 -8.713 1.00 1.25 H new ATOM 0 HG23 ILE A 26 2.509 -3.884 -8.653 1.00 1.25 H new ATOM 0 HD11 ILE A 26 1.269 -2.903 -4.623 1.00 25.40 H new ATOM 0 HD12 ILE A 26 1.226 -4.680 -4.717 1.00 25.40 H new ATOM 0 HD13 ILE A 26 2.558 -3.781 -5.481 1.00 25.40 H new ATOM 427 N LYS A 27 -0.528 -7.216 -9.403 1.00 44.15 N ATOM 428 CA LYS A 27 -0.401 -8.435 -10.264 1.00 1.42 C ATOM 429 C LYS A 27 -0.921 -8.171 -11.697 1.00 51.45 C ATOM 430 O LYS A 27 -0.392 -8.710 -12.684 1.00 24.12 O ATOM 431 CB LYS A 27 -1.154 -9.626 -9.617 1.00 13.20 C ATOM 432 CG LYS A 27 -0.560 -10.081 -8.263 1.00 71.22 C ATOM 433 CD LYS A 27 -1.498 -11.028 -7.477 1.00 34.51 C ATOM 434 CE LYS A 27 -0.997 -11.285 -6.042 1.00 64.44 C ATOM 435 NZ LYS A 27 -1.965 -12.072 -5.240 1.00 14.01 N ATOM 0 H LYS A 27 -1.161 -7.337 -8.613 1.00 44.15 H new ATOM 0 HA LYS A 27 0.657 -8.687 -10.341 1.00 1.42 H new ATOM 0 HB2 LYS A 27 -2.197 -9.347 -9.470 1.00 13.20 H new ATOM 0 HB3 LYS A 27 -1.144 -10.468 -10.309 1.00 13.20 H new ATOM 0 HG2 LYS A 27 0.390 -10.585 -8.441 1.00 71.22 H new ATOM 0 HG3 LYS A 27 -0.346 -9.203 -7.653 1.00 71.22 H new ATOM 0 HD2 LYS A 27 -2.498 -10.596 -7.439 1.00 34.51 H new ATOM 0 HD3 LYS A 27 -1.580 -11.977 -8.007 1.00 34.51 H new ATOM 0 HE2 LYS A 27 -0.045 -11.815 -6.081 1.00 64.44 H new ATOM 0 HE3 LYS A 27 -0.810 -10.331 -5.548 1.00 64.44 H new ATOM 0 HZ1 LYS A 27 -1.531 -12.335 -4.332 1.00 14.01 H new ATOM 0 HZ2 LYS A 27 -2.816 -11.500 -5.064 1.00 14.01 H new ATOM 0 HZ3 LYS A 27 -2.228 -12.933 -5.761 1.00 14.01 H new ATOM 449 N GLU A 28 -1.953 -7.316 -11.788 1.00 14.44 N ATOM 450 CA GLU A 28 -2.491 -6.828 -13.073 1.00 10.35 C ATOM 451 C GLU A 28 -1.527 -5.820 -13.747 1.00 43.21 C ATOM 452 O GLU A 28 -1.556 -5.637 -14.969 1.00 72.52 O ATOM 453 CB GLU A 28 -3.892 -6.210 -12.865 1.00 44.31 C ATOM 454 CG GLU A 28 -4.939 -7.188 -12.285 1.00 33.13 C ATOM 455 CD GLU A 28 -5.086 -8.484 -13.108 1.00 24.42 C ATOM 456 OE1 GLU A 28 -5.600 -8.421 -14.244 1.00 64.24 O ATOM 457 OE2 GLU A 28 -4.661 -9.568 -12.631 1.00 12.13 O ATOM 0 H GLU A 28 -2.440 -6.942 -10.973 1.00 14.44 H new ATOM 0 HA GLU A 28 -2.586 -7.679 -13.747 1.00 10.35 H new ATOM 0 HB2 GLU A 28 -3.803 -5.353 -12.197 1.00 44.31 H new ATOM 0 HB3 GLU A 28 -4.255 -5.832 -13.821 1.00 44.31 H new ATOM 0 HG2 GLU A 28 -4.659 -7.445 -11.263 1.00 33.13 H new ATOM 0 HG3 GLU A 28 -5.905 -6.686 -12.234 1.00 33.13 H new ATOM 464 N VAL A 29 -0.706 -5.141 -12.934 1.00 63.34 N ATOM 465 CA VAL A 29 0.414 -4.321 -13.435 1.00 52.31 C ATOM 466 C VAL A 29 1.651 -5.201 -13.808 1.00 32.12 C ATOM 467 O VAL A 29 2.356 -4.916 -14.761 1.00 32.14 O ATOM 468 CB VAL A 29 0.868 -3.236 -12.390 1.00 73.53 C ATOM 469 CG1 VAL A 29 1.945 -2.331 -12.997 1.00 13.13 C ATOM 470 CG2 VAL A 29 -0.315 -2.392 -11.865 1.00 10.13 C ATOM 0 H VAL A 29 -0.795 -5.142 -11.918 1.00 63.34 H new ATOM 0 HA VAL A 29 0.039 -3.820 -14.328 1.00 52.31 H new ATOM 0 HB VAL A 29 1.285 -3.767 -11.534 1.00 73.53 H new ATOM 0 HG11 VAL A 29 2.250 -1.585 -12.263 1.00 13.13 H new ATOM 0 HG12 VAL A 29 2.808 -2.933 -13.282 1.00 13.13 H new ATOM 0 HG13 VAL A 29 1.545 -1.830 -13.879 1.00 13.13 H new ATOM 0 HG21 VAL A 29 0.052 -1.658 -11.147 1.00 10.13 H new ATOM 0 HG22 VAL A 29 -0.793 -1.877 -12.698 1.00 10.13 H new ATOM 0 HG23 VAL A 29 -1.040 -3.045 -11.378 1.00 10.13 H new ATOM 480 N GLU A 30 1.906 -6.281 -13.051 1.00 21.42 N ATOM 481 CA GLU A 30 3.109 -7.135 -13.232 1.00 63.15 C ATOM 482 C GLU A 30 3.044 -7.929 -14.563 1.00 5.13 C ATOM 483 O GLU A 30 4.076 -8.366 -15.078 1.00 2.31 O ATOM 484 CB GLU A 30 3.307 -8.072 -11.998 1.00 61.20 C ATOM 485 CG GLU A 30 3.727 -7.335 -10.698 1.00 3.01 C ATOM 486 CD GLU A 30 3.744 -8.233 -9.441 1.00 61.11 C ATOM 487 OE1 GLU A 30 2.694 -8.390 -8.781 1.00 23.21 O ATOM 488 OE2 GLU A 30 4.807 -8.794 -9.100 1.00 52.11 O ATOM 0 H GLU A 30 1.292 -6.592 -12.298 1.00 21.42 H new ATOM 0 HA GLU A 30 3.983 -6.487 -13.297 1.00 63.15 H new ATOM 0 HB2 GLU A 30 2.378 -8.611 -11.813 1.00 61.20 H new ATOM 0 HB3 GLU A 30 4.064 -8.817 -12.240 1.00 61.20 H new ATOM 0 HG2 GLU A 30 4.720 -6.908 -10.840 1.00 3.01 H new ATOM 0 HG3 GLU A 30 3.044 -6.503 -10.528 1.00 3.01 H new ATOM 495 N LYS A 31 1.826 -8.107 -15.110 1.00 22.52 N ATOM 496 CA LYS A 31 1.629 -8.640 -16.484 1.00 0.32 C ATOM 497 C LYS A 31 1.790 -7.506 -17.549 1.00 14.15 C ATOM 498 O LYS A 31 2.428 -7.710 -18.586 1.00 73.44 O ATOM 499 CB LYS A 31 0.235 -9.332 -16.611 1.00 35.12 C ATOM 500 CG LYS A 31 -0.977 -8.396 -16.410 1.00 32.23 C ATOM 501 CD LYS A 31 -2.346 -9.097 -16.551 1.00 22.15 C ATOM 502 CE LYS A 31 -2.613 -10.139 -15.458 1.00 53.02 C ATOM 503 NZ LYS A 31 -4.000 -10.669 -15.519 1.00 43.22 N ATOM 0 H LYS A 31 0.956 -7.890 -14.623 1.00 22.52 H new ATOM 0 HA LYS A 31 2.398 -9.389 -16.673 1.00 0.32 H new ATOM 0 HB2 LYS A 31 0.162 -9.790 -17.597 1.00 35.12 H new ATOM 0 HB3 LYS A 31 0.178 -10.138 -15.880 1.00 35.12 H new ATOM 0 HG2 LYS A 31 -0.913 -7.944 -15.420 1.00 32.23 H new ATOM 0 HG3 LYS A 31 -0.920 -7.585 -17.136 1.00 32.23 H new ATOM 0 HD2 LYS A 31 -3.135 -8.345 -16.526 1.00 22.15 H new ATOM 0 HD3 LYS A 31 -2.399 -9.582 -17.526 1.00 22.15 H new ATOM 0 HE2 LYS A 31 -1.906 -10.962 -15.562 1.00 53.02 H new ATOM 0 HE3 LYS A 31 -2.439 -9.691 -14.480 1.00 53.02 H new ATOM 0 HZ1 LYS A 31 -4.084 -11.495 -14.893 1.00 43.22 H new ATOM 0 HZ2 LYS A 31 -4.667 -9.932 -15.212 1.00 43.22 H new ATOM 0 HZ3 LYS A 31 -4.221 -10.951 -16.495 1.00 43.22 H new ATOM 517 N ASN A 32 1.210 -6.307 -17.265 1.00 1.33 N ATOM 518 CA ASN A 32 1.199 -5.132 -18.193 1.00 25.32 C ATOM 519 C ASN A 32 1.701 -3.853 -17.439 1.00 3.32 C ATOM 520 O ASN A 32 0.878 -3.062 -16.953 1.00 73.25 O ATOM 521 CB ASN A 32 -0.240 -4.889 -18.762 1.00 42.52 C ATOM 522 CG ASN A 32 -0.797 -6.005 -19.657 1.00 2.51 C ATOM 523 OD1 ASN A 32 -0.461 -7.170 -19.534 1.00 70.30 O ATOM 524 ND2 ASN A 32 -1.669 -5.658 -20.571 1.00 31.45 N ATOM 0 H ASN A 32 0.733 -6.124 -16.382 1.00 1.33 H new ATOM 0 HA ASN A 32 1.868 -5.343 -19.028 1.00 25.32 H new ATOM 0 HB2 ASN A 32 -0.923 -4.745 -17.925 1.00 42.52 H new ATOM 0 HB3 ASN A 32 -0.234 -3.960 -19.332 1.00 42.52 H new ATOM 0 HD21 ASN A 32 -2.072 -6.365 -21.186 1.00 31.45 H new ATOM 0 HD22 ASN A 32 -1.945 -4.681 -20.668 1.00 31.45 H new ATOM 531 N PRO A 33 3.069 -3.670 -17.284 1.00 61.34 N ATOM 532 CA PRO A 33 3.684 -2.614 -16.402 1.00 10.14 C ATOM 533 C PRO A 33 3.138 -1.173 -16.574 1.00 51.11 C ATOM 534 O PRO A 33 2.783 -0.503 -15.596 1.00 2.42 O ATOM 535 CB PRO A 33 5.187 -2.683 -16.775 1.00 34.54 C ATOM 536 CG PRO A 33 5.395 -4.109 -17.174 1.00 41.35 C ATOM 537 CD PRO A 33 4.133 -4.508 -17.916 1.00 12.24 C ATOM 0 HA PRO A 33 3.450 -2.819 -15.357 1.00 10.14 H new ATOM 0 HB2 PRO A 33 5.428 -2.001 -17.591 1.00 34.54 H new ATOM 0 HB3 PRO A 33 5.821 -2.408 -15.932 1.00 34.54 H new ATOM 0 HG2 PRO A 33 6.274 -4.215 -17.809 1.00 41.35 H new ATOM 0 HG3 PRO A 33 5.554 -4.742 -16.301 1.00 41.35 H new ATOM 0 HD2 PRO A 33 4.217 -4.309 -18.984 1.00 12.24 H new ATOM 0 HD3 PRO A 33 3.923 -5.572 -17.805 1.00 12.24 H new ATOM 545 N GLU A 34 3.062 -0.717 -17.826 1.00 2.12 N ATOM 546 CA GLU A 34 2.673 0.663 -18.174 1.00 4.40 C ATOM 547 C GLU A 34 1.143 0.801 -18.356 1.00 71.01 C ATOM 548 O GLU A 34 0.654 1.163 -19.433 1.00 71.32 O ATOM 549 CB GLU A 34 3.471 1.095 -19.438 1.00 54.33 C ATOM 550 CG GLU A 34 5.002 1.152 -19.206 1.00 12.13 C ATOM 551 CD GLU A 34 5.829 1.328 -20.492 1.00 4.04 C ATOM 552 OE1 GLU A 34 5.525 2.237 -21.291 1.00 2.51 O ATOM 553 OE2 GLU A 34 6.812 0.577 -20.689 1.00 25.22 O ATOM 0 H GLU A 34 3.270 -1.296 -18.639 1.00 2.12 H new ATOM 0 HA GLU A 34 2.924 1.335 -17.353 1.00 4.40 H new ATOM 0 HB2 GLU A 34 3.259 0.398 -20.249 1.00 54.33 H new ATOM 0 HB3 GLU A 34 3.123 2.076 -19.762 1.00 54.33 H new ATOM 0 HG2 GLU A 34 5.225 1.976 -18.528 1.00 12.13 H new ATOM 0 HG3 GLU A 34 5.317 0.235 -18.707 1.00 12.13 H new ATOM 560 N ASP A 35 0.390 0.469 -17.286 1.00 2.22 N ATOM 561 CA ASP A 35 -1.062 0.731 -17.201 1.00 41.42 C ATOM 562 C ASP A 35 -1.340 1.619 -15.968 1.00 23.10 C ATOM 563 O ASP A 35 -1.308 1.154 -14.819 1.00 3.52 O ATOM 564 CB ASP A 35 -1.878 -0.590 -17.125 1.00 43.43 C ATOM 565 CG ASP A 35 -3.362 -0.376 -17.498 1.00 31.24 C ATOM 566 OD1 ASP A 35 -4.129 0.200 -16.693 1.00 22.04 O ATOM 567 OD2 ASP A 35 -3.758 -0.755 -18.618 1.00 11.23 O ATOM 0 H ASP A 35 0.771 0.012 -16.458 1.00 2.22 H new ATOM 0 HA ASP A 35 -1.380 1.249 -18.106 1.00 41.42 H new ATOM 0 HB2 ASP A 35 -1.438 -1.327 -17.797 1.00 43.43 H new ATOM 0 HB3 ASP A 35 -1.813 -0.999 -16.117 1.00 43.43 H new ATOM 572 N MET A 36 -1.622 2.892 -16.233 1.00 52.25 N ATOM 573 CA MET A 36 -1.772 3.927 -15.195 1.00 21.33 C ATOM 574 C MET A 36 -3.135 3.859 -14.486 1.00 64.25 C ATOM 575 O MET A 36 -3.278 4.358 -13.376 1.00 11.21 O ATOM 576 CB MET A 36 -1.549 5.308 -15.844 1.00 13.24 C ATOM 577 CG MET A 36 -0.198 5.471 -16.581 1.00 34.11 C ATOM 578 SD MET A 36 1.158 6.034 -15.524 1.00 54.13 S ATOM 579 CE MET A 36 1.396 4.717 -14.341 1.00 54.43 C ATOM 0 H MET A 36 -1.755 3.245 -17.181 1.00 52.25 H new ATOM 0 HA MET A 36 -1.025 3.753 -14.420 1.00 21.33 H new ATOM 0 HB2 MET A 36 -2.357 5.496 -16.551 1.00 13.24 H new ATOM 0 HB3 MET A 36 -1.619 6.072 -15.070 1.00 13.24 H new ATOM 0 HG2 MET A 36 0.077 4.516 -17.028 1.00 34.11 H new ATOM 0 HG3 MET A 36 -0.326 6.181 -17.398 1.00 34.11 H new ATOM 0 HE1 MET A 36 2.420 4.743 -13.968 1.00 54.43 H new ATOM 0 HE2 MET A 36 0.704 4.846 -13.509 1.00 54.43 H new ATOM 0 HE3 MET A 36 1.210 3.757 -14.823 1.00 54.43 H new ATOM 589 N GLU A 37 -4.115 3.251 -15.160 1.00 73.25 N ATOM 590 CA GLU A 37 -5.452 2.982 -14.594 1.00 72.23 C ATOM 591 C GLU A 37 -5.387 1.885 -13.489 1.00 71.13 C ATOM 592 O GLU A 37 -6.054 1.993 -12.452 1.00 33.20 O ATOM 593 CB GLU A 37 -6.440 2.600 -15.731 1.00 53.42 C ATOM 594 CG GLU A 37 -7.905 2.379 -15.284 1.00 64.51 C ATOM 595 CD GLU A 37 -8.518 3.586 -14.546 1.00 31.54 C ATOM 596 OE1 GLU A 37 -8.970 4.541 -15.210 1.00 24.41 O ATOM 597 OE2 GLU A 37 -8.557 3.583 -13.294 1.00 22.23 O ATOM 0 H GLU A 37 -4.008 2.927 -16.121 1.00 73.25 H new ATOM 0 HA GLU A 37 -5.820 3.889 -14.114 1.00 72.23 H new ATOM 0 HB2 GLU A 37 -6.422 3.386 -16.486 1.00 53.42 H new ATOM 0 HB3 GLU A 37 -6.082 1.689 -16.211 1.00 53.42 H new ATOM 0 HG2 GLU A 37 -8.513 2.154 -16.160 1.00 64.51 H new ATOM 0 HG3 GLU A 37 -7.949 1.506 -14.633 1.00 64.51 H new ATOM 604 N TYR A 38 -4.571 0.834 -13.713 1.00 12.21 N ATOM 605 CA TYR A 38 -4.291 -0.200 -12.678 1.00 22.12 C ATOM 606 C TYR A 38 -3.389 0.348 -11.542 1.00 62.00 C ATOM 607 O TYR A 38 -3.498 -0.100 -10.399 1.00 2.04 O ATOM 608 CB TYR A 38 -3.691 -1.487 -13.320 1.00 50.04 C ATOM 609 CG TYR A 38 -4.757 -2.418 -13.921 1.00 53.53 C ATOM 610 CD1 TYR A 38 -5.739 -2.986 -13.107 1.00 14.41 C ATOM 611 CD2 TYR A 38 -4.793 -2.721 -15.286 1.00 50.42 C ATOM 612 CE1 TYR A 38 -6.708 -3.821 -13.628 1.00 63.30 C ATOM 613 CE2 TYR A 38 -5.762 -3.556 -15.809 1.00 61.34 C ATOM 614 CZ TYR A 38 -6.717 -4.102 -14.979 1.00 60.31 C ATOM 615 OH TYR A 38 -7.686 -4.934 -15.500 1.00 72.15 O ATOM 0 H TYR A 38 -4.092 0.673 -14.599 1.00 12.21 H new ATOM 0 HA TYR A 38 -5.243 -0.471 -12.221 1.00 22.12 H new ATOM 0 HB2 TYR A 38 -2.986 -1.201 -14.101 1.00 50.04 H new ATOM 0 HB3 TYR A 38 -3.126 -2.033 -12.564 1.00 50.04 H new ATOM 0 HD1 TYR A 38 -5.741 -2.768 -12.049 1.00 14.41 H new ATOM 0 HD2 TYR A 38 -4.050 -2.295 -15.943 1.00 50.42 H new ATOM 0 HE1 TYR A 38 -7.456 -4.253 -12.980 1.00 63.30 H new ATOM 0 HE2 TYR A 38 -5.771 -3.780 -16.865 1.00 61.34 H new ATOM 0 HH TYR A 38 -7.552 -5.028 -16.466 1.00 72.15 H new ATOM 625 N TRP A 39 -2.506 1.315 -11.863 1.00 60.23 N ATOM 626 CA TRP A 39 -1.736 2.065 -10.833 1.00 71.02 C ATOM 627 C TRP A 39 -2.634 3.041 -10.036 1.00 24.41 C ATOM 628 O TRP A 39 -2.360 3.309 -8.866 1.00 21.41 O ATOM 629 CB TRP A 39 -0.531 2.824 -11.461 1.00 52.43 C ATOM 630 CG TRP A 39 0.694 1.957 -11.677 1.00 30.44 C ATOM 631 CD1 TRP A 39 1.257 1.582 -12.866 1.00 45.41 C ATOM 632 CD2 TRP A 39 1.497 1.340 -10.649 1.00 44.43 C ATOM 633 NE1 TRP A 39 2.361 0.809 -12.641 1.00 24.24 N ATOM 634 CE2 TRP A 39 2.517 0.631 -11.289 1.00 63.34 C ATOM 635 CE3 TRP A 39 1.446 1.317 -9.253 1.00 24.13 C ATOM 636 CZ2 TRP A 39 3.478 -0.089 -10.585 1.00 72.23 C ATOM 637 CZ3 TRP A 39 2.400 0.603 -8.553 1.00 73.42 C ATOM 638 CH2 TRP A 39 3.408 -0.092 -9.221 1.00 11.54 C ATOM 0 H TRP A 39 -2.304 1.599 -12.822 1.00 60.23 H new ATOM 0 HA TRP A 39 -1.347 1.325 -10.134 1.00 71.02 H new ATOM 0 HB2 TRP A 39 -0.839 3.247 -12.418 1.00 52.43 H new ATOM 0 HB3 TRP A 39 -0.263 3.660 -10.815 1.00 52.43 H new ATOM 0 HD1 TRP A 39 0.883 1.857 -13.841 1.00 45.41 H new ATOM 0 HE1 TRP A 39 2.972 0.426 -13.362 1.00 24.24 H new ATOM 0 HE3 TRP A 39 0.669 1.852 -8.726 1.00 24.13 H new ATOM 0 HZ2 TRP A 39 4.257 -0.630 -11.102 1.00 72.23 H new ATOM 0 HZ3 TRP A 39 2.365 0.583 -7.474 1.00 73.42 H new ATOM 0 HH2 TRP A 39 4.144 -0.640 -8.652 1.00 11.54 H new ATOM 649 N ASN A 40 -3.703 3.562 -10.674 1.00 54.12 N ATOM 650 CA ASN A 40 -4.681 4.454 -10.040 1.00 44.24 C ATOM 651 C ASN A 40 -5.463 3.712 -8.922 1.00 35.52 C ATOM 652 O ASN A 40 -5.739 4.278 -7.858 1.00 34.32 O ATOM 653 CB ASN A 40 -5.623 4.974 -11.146 1.00 10.53 C ATOM 654 CG ASN A 40 -6.723 5.897 -10.664 1.00 51.23 C ATOM 655 OD1 ASN A 40 -6.571 6.640 -9.703 1.00 60.13 O ATOM 656 ND2 ASN A 40 -7.835 5.869 -11.348 1.00 72.22 N ATOM 0 H ASN A 40 -3.908 3.370 -11.654 1.00 54.12 H new ATOM 0 HA ASN A 40 -4.179 5.293 -9.559 1.00 44.24 H new ATOM 0 HB2 ASN A 40 -5.028 5.500 -11.892 1.00 10.53 H new ATOM 0 HB3 ASN A 40 -6.079 4.120 -11.646 1.00 10.53 H new ATOM 0 HD21 ASN A 40 -8.610 6.478 -11.087 1.00 72.22 H new ATOM 0 HD22 ASN A 40 -7.929 5.238 -12.144 1.00 72.22 H new ATOM 663 N LYS A 41 -5.793 2.435 -9.196 1.00 53.42 N ATOM 664 CA LYS A 41 -6.371 1.498 -8.205 1.00 33.34 C ATOM 665 C LYS A 41 -5.486 1.393 -6.936 1.00 74.33 C ATOM 666 O LYS A 41 -5.947 1.642 -5.818 1.00 71.03 O ATOM 667 CB LYS A 41 -6.512 0.098 -8.859 1.00 71.30 C ATOM 668 CG LYS A 41 -7.507 0.026 -10.040 1.00 12.40 C ATOM 669 CD LYS A 41 -8.997 0.133 -9.610 1.00 42.30 C ATOM 670 CE LYS A 41 -9.555 -1.162 -8.967 1.00 32.35 C ATOM 671 NZ LYS A 41 -8.919 -1.524 -7.666 1.00 45.13 N ATOM 0 H LYS A 41 -5.666 2.018 -10.118 1.00 53.42 H new ATOM 0 HA LYS A 41 -7.347 1.876 -7.900 1.00 33.34 H new ATOM 0 HB2 LYS A 41 -5.531 -0.223 -9.210 1.00 71.30 H new ATOM 0 HB3 LYS A 41 -6.826 -0.613 -8.095 1.00 71.30 H new ATOM 0 HG2 LYS A 41 -7.282 0.829 -10.742 1.00 12.40 H new ATOM 0 HG3 LYS A 41 -7.358 -0.914 -10.572 1.00 12.40 H new ATOM 0 HD2 LYS A 41 -9.103 0.955 -8.902 1.00 42.30 H new ATOM 0 HD3 LYS A 41 -9.600 0.384 -10.482 1.00 42.30 H new ATOM 0 HE2 LYS A 41 -10.628 -1.045 -8.814 1.00 32.35 H new ATOM 0 HE3 LYS A 41 -9.421 -1.988 -9.666 1.00 32.35 H new ATOM 0 HZ1 LYS A 41 -9.617 -2.000 -7.059 1.00 45.13 H new ATOM 0 HZ2 LYS A 41 -8.117 -2.163 -7.838 1.00 45.13 H new ATOM 0 HZ3 LYS A 41 -8.580 -0.662 -7.194 1.00 45.13 H new ATOM 685 N ILE A 42 -4.201 1.071 -7.161 1.00 73.35 N ATOM 686 CA ILE A 42 -3.188 0.891 -6.093 1.00 64.01 C ATOM 687 C ILE A 42 -3.008 2.177 -5.247 1.00 70.44 C ATOM 688 O ILE A 42 -3.092 2.131 -4.023 1.00 52.40 O ATOM 689 CB ILE A 42 -1.812 0.484 -6.743 1.00 3.42 C ATOM 690 CG1 ILE A 42 -1.985 -0.827 -7.572 1.00 41.42 C ATOM 691 CG2 ILE A 42 -0.677 0.338 -5.685 1.00 53.54 C ATOM 692 CD1 ILE A 42 -0.843 -1.154 -8.503 1.00 60.52 C ATOM 0 H ILE A 42 -3.827 0.925 -8.099 1.00 73.35 H new ATOM 0 HA ILE A 42 -3.537 0.103 -5.425 1.00 64.01 H new ATOM 0 HB ILE A 42 -1.507 1.289 -7.411 1.00 3.42 H new ATOM 0 HG12 ILE A 42 -2.119 -1.660 -6.881 1.00 41.42 H new ATOM 0 HG13 ILE A 42 -2.900 -0.749 -8.159 1.00 41.42 H new ATOM 0 HG21 ILE A 42 0.251 0.056 -6.183 1.00 53.54 H new ATOM 0 HG22 ILE A 42 -0.538 1.287 -5.168 1.00 53.54 H new ATOM 0 HG23 ILE A 42 -0.949 -0.432 -4.963 1.00 53.54 H new ATOM 0 HD11 ILE A 42 -1.059 -2.082 -9.032 1.00 60.52 H new ATOM 0 HD12 ILE A 42 -0.718 -0.346 -9.224 1.00 60.52 H new ATOM 0 HD13 ILE A 42 0.075 -1.271 -7.926 1.00 60.52 H new ATOM 704 N TYR A 43 -2.802 3.308 -5.943 1.00 35.41 N ATOM 705 CA TYR A 43 -2.553 4.637 -5.332 1.00 34.01 C ATOM 706 C TYR A 43 -3.650 5.037 -4.306 1.00 13.33 C ATOM 707 O TYR A 43 -3.346 5.532 -3.218 1.00 45.03 O ATOM 708 CB TYR A 43 -2.451 5.702 -6.460 1.00 11.24 C ATOM 709 CG TYR A 43 -2.182 7.142 -5.978 1.00 61.13 C ATOM 710 CD1 TYR A 43 -1.014 7.463 -5.278 1.00 73.32 C ATOM 711 CD2 TYR A 43 -3.098 8.174 -6.220 1.00 30.45 C ATOM 712 CE1 TYR A 43 -0.776 8.750 -4.840 1.00 3.44 C ATOM 713 CE2 TYR A 43 -2.860 9.458 -5.782 1.00 22.25 C ATOM 714 CZ TYR A 43 -1.700 9.742 -5.094 1.00 51.11 C ATOM 715 OH TYR A 43 -1.465 11.027 -4.657 1.00 22.44 O ATOM 0 H TYR A 43 -2.803 3.331 -6.963 1.00 35.41 H new ATOM 0 HA TYR A 43 -1.616 4.583 -4.778 1.00 34.01 H new ATOM 0 HB2 TYR A 43 -1.654 5.409 -7.144 1.00 11.24 H new ATOM 0 HB3 TYR A 43 -3.379 5.694 -7.031 1.00 11.24 H new ATOM 0 HD1 TYR A 43 -0.286 6.691 -5.077 1.00 73.32 H new ATOM 0 HD2 TYR A 43 -4.008 7.959 -6.760 1.00 30.45 H new ATOM 0 HE1 TYR A 43 0.131 8.980 -4.300 1.00 3.44 H new ATOM 0 HE2 TYR A 43 -3.580 10.239 -5.977 1.00 22.25 H new ATOM 0 HH TYR A 43 -2.213 11.603 -4.919 1.00 22.44 H new ATOM 725 N ARG A 44 -4.921 4.803 -4.677 1.00 2.32 N ATOM 726 CA ARG A 44 -6.093 5.137 -3.834 1.00 53.02 C ATOM 727 C ARG A 44 -6.221 4.219 -2.587 1.00 63.20 C ATOM 728 O ARG A 44 -6.612 4.683 -1.507 1.00 5.31 O ATOM 729 CB ARG A 44 -7.381 5.096 -4.698 1.00 5.32 C ATOM 730 CG ARG A 44 -7.409 6.178 -5.802 1.00 64.24 C ATOM 731 CD ARG A 44 -8.648 6.098 -6.710 1.00 54.23 C ATOM 732 NE ARG A 44 -8.649 7.192 -7.698 1.00 74.11 N ATOM 733 CZ ARG A 44 -9.498 7.342 -8.688 1.00 5.31 C ATOM 734 NH1 ARG A 44 -10.420 6.467 -8.931 1.00 11.41 N ATOM 735 NH2 ARG A 44 -9.387 8.369 -9.456 1.00 41.30 N ATOM 0 H ARG A 44 -5.170 4.377 -5.570 1.00 2.32 H new ATOM 0 HA ARG A 44 -5.947 6.146 -3.447 1.00 53.02 H new ATOM 0 HB2 ARG A 44 -7.470 4.113 -5.160 1.00 5.32 H new ATOM 0 HB3 ARG A 44 -8.249 5.224 -4.051 1.00 5.32 H new ATOM 0 HG2 ARG A 44 -7.374 7.162 -5.335 1.00 64.24 H new ATOM 0 HG3 ARG A 44 -6.513 6.083 -6.415 1.00 64.24 H new ATOM 0 HD2 ARG A 44 -8.665 5.138 -7.225 1.00 54.23 H new ATOM 0 HD3 ARG A 44 -9.552 6.150 -6.103 1.00 54.23 H new ATOM 0 HE ARG A 44 -7.921 7.900 -7.603 1.00 74.11 H new ATOM 0 HH11 ARG A 44 -10.500 5.635 -8.346 1.00 11.41 H new ATOM 0 HH12 ARG A 44 -11.066 6.609 -9.707 1.00 11.41 H new ATOM 0 HH21 ARG A 44 -8.647 9.052 -9.291 1.00 41.30 H new ATOM 0 HH22 ARG A 44 -10.039 8.500 -10.230 1.00 41.30 H new ATOM 749 N LEU A 45 -5.887 2.927 -2.738 1.00 54.14 N ATOM 750 CA LEU A 45 -5.944 1.948 -1.620 1.00 44.21 C ATOM 751 C LEU A 45 -4.780 2.153 -0.610 1.00 53.11 C ATOM 752 O LEU A 45 -4.953 1.964 0.598 1.00 21.01 O ATOM 753 CB LEU A 45 -5.924 0.509 -2.174 1.00 41.02 C ATOM 754 CG LEU A 45 -7.050 0.139 -3.192 1.00 2.23 C ATOM 755 CD1 LEU A 45 -6.869 -1.294 -3.731 1.00 22.20 C ATOM 756 CD2 LEU A 45 -8.456 0.333 -2.581 1.00 3.54 C ATOM 0 H LEU A 45 -5.573 2.527 -3.622 1.00 54.14 H new ATOM 0 HA LEU A 45 -6.877 2.115 -1.082 1.00 44.21 H new ATOM 0 HB2 LEU A 45 -4.960 0.342 -2.655 1.00 41.02 H new ATOM 0 HB3 LEU A 45 -5.984 -0.181 -1.333 1.00 41.02 H new ATOM 0 HG LEU A 45 -6.963 0.825 -4.035 1.00 2.23 H new ATOM 0 HD11 LEU A 45 -7.668 -1.521 -4.437 1.00 22.20 H new ATOM 0 HD12 LEU A 45 -5.906 -1.374 -4.235 1.00 22.20 H new ATOM 0 HD13 LEU A 45 -6.905 -2.002 -2.903 1.00 22.20 H new ATOM 0 HD21 LEU A 45 -9.213 0.066 -3.318 1.00 3.54 H new ATOM 0 HD22 LEU A 45 -8.563 -0.305 -1.704 1.00 3.54 H new ATOM 0 HD23 LEU A 45 -8.585 1.375 -2.289 1.00 3.54 H new ATOM 768 N VAL A 46 -3.600 2.540 -1.128 1.00 50.52 N ATOM 769 CA VAL A 46 -2.412 2.872 -0.303 1.00 63.52 C ATOM 770 C VAL A 46 -2.610 4.228 0.428 1.00 70.54 C ATOM 771 O VAL A 46 -2.153 4.406 1.564 1.00 62.52 O ATOM 772 CB VAL A 46 -1.105 2.902 -1.179 1.00 50.43 C ATOM 773 CG1 VAL A 46 0.118 3.390 -0.363 1.00 13.11 C ATOM 774 CG2 VAL A 46 -0.829 1.507 -1.798 1.00 61.14 C ATOM 0 H VAL A 46 -3.438 2.633 -2.131 1.00 50.52 H new ATOM 0 HA VAL A 46 -2.298 2.090 0.448 1.00 63.52 H new ATOM 0 HB VAL A 46 -1.267 3.615 -1.987 1.00 50.43 H new ATOM 0 HG11 VAL A 46 1.002 3.397 -1.001 1.00 13.11 H new ATOM 0 HG12 VAL A 46 -0.070 4.398 0.008 1.00 13.11 H new ATOM 0 HG13 VAL A 46 0.285 2.719 0.480 1.00 13.11 H new ATOM 0 HG21 VAL A 46 0.079 1.549 -2.400 1.00 61.14 H new ATOM 0 HG22 VAL A 46 -0.702 0.774 -1.001 1.00 61.14 H new ATOM 0 HG23 VAL A 46 -1.669 1.216 -2.429 1.00 61.14 H new ATOM 784 N HIS A 47 -3.304 5.166 -0.244 1.00 14.43 N ATOM 785 CA HIS A 47 -3.798 6.426 0.370 1.00 1.51 C ATOM 786 C HIS A 47 -4.657 6.136 1.628 1.00 43.35 C ATOM 787 O HIS A 47 -4.583 6.864 2.631 1.00 23.32 O ATOM 788 CB HIS A 47 -4.614 7.230 -0.688 1.00 13.43 C ATOM 789 CG HIS A 47 -5.464 8.354 -0.135 1.00 44.12 C ATOM 790 ND1 HIS A 47 -6.805 8.199 0.144 1.00 74.03 N ATOM 791 CD2 HIS A 47 -5.168 9.640 0.182 1.00 62.12 C ATOM 792 CE1 HIS A 47 -7.292 9.326 0.610 1.00 42.32 C ATOM 793 NE2 HIS A 47 -6.326 10.217 0.642 1.00 22.22 N ATOM 0 H HIS A 47 -3.542 5.077 -1.232 1.00 14.43 H new ATOM 0 HA HIS A 47 -2.944 7.022 0.692 1.00 1.51 H new ATOM 0 HB2 HIS A 47 -3.920 7.647 -1.417 1.00 13.43 H new ATOM 0 HB3 HIS A 47 -5.262 6.537 -1.225 1.00 13.43 H new ATOM 0 HD2 HIS A 47 -4.204 10.119 0.090 1.00 62.12 H new ATOM 0 HE1 HIS A 47 -8.314 9.493 0.916 1.00 42.32 H new ATOM 0 HE2 HIS A 47 -6.421 11.182 0.958 1.00 22.22 H new ATOM 802 N THR A 48 -5.451 5.052 1.555 1.00 71.30 N ATOM 803 CA THR A 48 -6.317 4.615 2.662 1.00 33.14 C ATOM 804 C THR A 48 -5.480 3.962 3.792 1.00 22.21 C ATOM 805 O THR A 48 -5.709 4.258 4.960 1.00 42.01 O ATOM 806 CB THR A 48 -7.429 3.638 2.156 1.00 3.41 C ATOM 807 OG1 THR A 48 -8.214 4.292 1.144 1.00 0.23 O ATOM 808 CG2 THR A 48 -8.356 3.152 3.292 1.00 11.51 C ATOM 0 H THR A 48 -5.509 4.457 0.729 1.00 71.30 H new ATOM 0 HA THR A 48 -6.809 5.498 3.071 1.00 33.14 H new ATOM 0 HB THR A 48 -6.929 2.760 1.748 1.00 3.41 H new ATOM 0 HG1 THR A 48 -7.677 4.397 0.331 1.00 0.23 H new ATOM 0 HG21 THR A 48 -9.108 2.477 2.884 1.00 11.51 H new ATOM 0 HG22 THR A 48 -7.766 2.627 4.043 1.00 11.51 H new ATOM 0 HG23 THR A 48 -8.848 4.009 3.752 1.00 11.51 H new ATOM 816 N MET A 49 -4.492 3.103 3.428 1.00 4.44 N ATOM 817 CA MET A 49 -3.544 2.471 4.406 1.00 61.23 C ATOM 818 C MET A 49 -2.782 3.520 5.230 1.00 62.12 C ATOM 819 O MET A 49 -2.605 3.374 6.443 1.00 30.25 O ATOM 820 CB MET A 49 -2.487 1.608 3.689 1.00 2.30 C ATOM 821 CG MET A 49 -3.026 0.426 2.929 1.00 0.33 C ATOM 822 SD MET A 49 -1.695 -0.518 2.187 1.00 62.43 S ATOM 823 CE MET A 49 -2.630 -1.851 1.493 1.00 43.52 C ATOM 0 H MET A 49 -4.324 2.826 2.461 1.00 4.44 H new ATOM 0 HA MET A 49 -4.164 1.858 5.060 1.00 61.23 H new ATOM 0 HB2 MET A 49 -1.934 2.242 2.996 1.00 2.30 H new ATOM 0 HB3 MET A 49 -1.774 1.247 4.430 1.00 2.30 H new ATOM 0 HG2 MET A 49 -3.600 -0.213 3.601 1.00 0.33 H new ATOM 0 HG3 MET A 49 -3.711 0.769 2.153 1.00 0.33 H new ATOM 0 HE1 MET A 49 -1.985 -2.455 0.855 1.00 43.52 H new ATOM 0 HE2 MET A 49 -3.030 -2.471 2.295 1.00 43.52 H new ATOM 0 HE3 MET A 49 -3.452 -1.449 0.901 1.00 43.52 H new ATOM 833 N LYS A 50 -2.298 4.547 4.516 1.00 51.33 N ATOM 834 CA LYS A 50 -1.616 5.704 5.100 1.00 64.52 C ATOM 835 C LYS A 50 -2.514 6.371 6.158 1.00 50.20 C ATOM 836 O LYS A 50 -2.110 6.547 7.297 1.00 71.43 O ATOM 837 CB LYS A 50 -1.257 6.706 3.977 1.00 43.15 C ATOM 838 CG LYS A 50 -0.415 7.918 4.433 1.00 42.21 C ATOM 839 CD LYS A 50 -0.230 8.975 3.317 1.00 31.23 C ATOM 840 CE LYS A 50 -1.573 9.592 2.869 1.00 14.11 C ATOM 841 NZ LYS A 50 -2.282 10.279 3.988 1.00 21.42 N ATOM 0 H LYS A 50 -2.372 4.595 3.500 1.00 51.33 H new ATOM 0 HA LYS A 50 -0.699 5.378 5.591 1.00 64.52 H new ATOM 0 HB2 LYS A 50 -0.711 6.175 3.197 1.00 43.15 H new ATOM 0 HB3 LYS A 50 -2.180 7.072 3.527 1.00 43.15 H new ATOM 0 HG2 LYS A 50 -0.895 8.385 5.293 1.00 42.21 H new ATOM 0 HG3 LYS A 50 0.564 7.571 4.764 1.00 42.21 H new ATOM 0 HD2 LYS A 50 0.430 9.766 3.674 1.00 31.23 H new ATOM 0 HD3 LYS A 50 0.260 8.514 2.460 1.00 31.23 H new ATOM 0 HE2 LYS A 50 -1.392 10.305 2.064 1.00 14.11 H new ATOM 0 HE3 LYS A 50 -2.213 8.808 2.463 1.00 14.11 H new ATOM 0 HZ1 LYS A 50 -3.202 9.822 4.148 1.00 21.42 H new ATOM 0 HZ2 LYS A 50 -1.709 10.215 4.853 1.00 21.42 H new ATOM 0 HZ3 LYS A 50 -2.430 11.279 3.743 1.00 21.42 H new ATOM 855 N GLU A 51 -3.762 6.661 5.767 1.00 23.43 N ATOM 856 CA GLU A 51 -4.767 7.268 6.653 1.00 22.11 C ATOM 857 C GLU A 51 -5.124 6.348 7.865 1.00 33.33 C ATOM 858 O GLU A 51 -5.410 6.848 8.957 1.00 44.11 O ATOM 859 CB GLU A 51 -6.026 7.599 5.817 1.00 62.13 C ATOM 860 CG GLU A 51 -7.114 8.373 6.581 1.00 5.24 C ATOM 861 CD GLU A 51 -8.312 8.776 5.705 1.00 71.12 C ATOM 862 OE1 GLU A 51 -8.126 9.617 4.793 1.00 4.12 O ATOM 863 OE2 GLU A 51 -9.436 8.265 5.918 1.00 23.40 O ATOM 0 H GLU A 51 -4.105 6.481 4.824 1.00 23.43 H new ATOM 0 HA GLU A 51 -4.351 8.181 7.079 1.00 22.11 H new ATOM 0 HB2 GLU A 51 -5.726 8.183 4.947 1.00 62.13 H new ATOM 0 HB3 GLU A 51 -6.454 6.668 5.444 1.00 62.13 H new ATOM 0 HG2 GLU A 51 -7.470 7.761 7.410 1.00 5.24 H new ATOM 0 HG3 GLU A 51 -6.673 9.271 7.015 1.00 5.24 H new ATOM 870 N ILE A 52 -5.085 5.007 7.654 1.00 55.50 N ATOM 871 CA ILE A 52 -5.317 3.999 8.724 1.00 63.41 C ATOM 872 C ILE A 52 -4.221 4.096 9.816 1.00 20.41 C ATOM 873 O ILE A 52 -4.527 4.296 10.996 1.00 63.20 O ATOM 874 CB ILE A 52 -5.382 2.518 8.139 1.00 32.23 C ATOM 875 CG1 ILE A 52 -6.673 2.321 7.273 1.00 72.14 C ATOM 876 CG2 ILE A 52 -5.298 1.435 9.253 1.00 31.23 C ATOM 877 CD1 ILE A 52 -6.789 0.965 6.583 1.00 71.42 C ATOM 0 H ILE A 52 -4.893 4.594 6.741 1.00 55.50 H new ATOM 0 HA ILE A 52 -6.285 4.222 9.173 1.00 63.41 H new ATOM 0 HB ILE A 52 -4.507 2.389 7.502 1.00 32.23 H new ATOM 0 HG12 ILE A 52 -7.545 2.462 7.912 1.00 72.14 H new ATOM 0 HG13 ILE A 52 -6.705 3.102 6.513 1.00 72.14 H new ATOM 0 HG21 ILE A 52 -5.347 0.444 8.802 1.00 31.23 H new ATOM 0 HG22 ILE A 52 -4.358 1.542 9.794 1.00 31.23 H new ATOM 0 HG23 ILE A 52 -6.131 1.560 9.945 1.00 31.23 H new ATOM 0 HD11 ILE A 52 -7.715 0.927 6.009 1.00 71.42 H new ATOM 0 HD12 ILE A 52 -5.941 0.824 5.913 1.00 71.42 H new ATOM 0 HD13 ILE A 52 -6.794 0.174 7.333 1.00 71.42 H new ATOM 889 N THR A 53 -2.948 3.979 9.406 1.00 65.15 N ATOM 890 CA THR A 53 -1.804 4.036 10.343 1.00 14.15 C ATOM 891 C THR A 53 -1.621 5.448 10.962 1.00 73.04 C ATOM 892 O THR A 53 -1.146 5.566 12.090 1.00 4.12 O ATOM 893 CB THR A 53 -0.468 3.536 9.696 1.00 40.43 C ATOM 894 OG1 THR A 53 0.589 3.600 10.637 1.00 3.43 O ATOM 895 CG2 THR A 53 -0.070 4.321 8.441 1.00 75.10 C ATOM 0 H THR A 53 -2.680 3.844 8.431 1.00 65.15 H new ATOM 0 HA THR A 53 -2.051 3.347 11.151 1.00 14.15 H new ATOM 0 HB THR A 53 -0.648 2.505 9.392 1.00 40.43 H new ATOM 0 HG1 THR A 53 1.002 4.488 10.606 1.00 3.43 H new ATOM 0 HG21 THR A 53 0.864 3.923 8.044 1.00 75.10 H new ATOM 0 HG22 THR A 53 -0.854 4.227 7.689 1.00 75.10 H new ATOM 0 HG23 THR A 53 0.063 5.372 8.696 1.00 75.10 H new ATOM 903 N GLU A 54 -2.024 6.516 10.237 1.00 21.50 N ATOM 904 CA GLU A 54 -1.982 7.904 10.765 1.00 20.10 C ATOM 905 C GLU A 54 -3.078 8.150 11.838 1.00 43.15 C ATOM 906 O GLU A 54 -2.813 8.820 12.843 1.00 73.01 O ATOM 907 CB GLU A 54 -2.087 8.946 9.619 1.00 61.13 C ATOM 908 CG GLU A 54 -0.862 8.979 8.677 1.00 0.41 C ATOM 909 CD GLU A 54 -0.990 9.990 7.518 1.00 15.10 C ATOM 910 OE1 GLU A 54 -2.020 9.965 6.802 1.00 64.23 O ATOM 911 OE2 GLU A 54 -0.050 10.788 7.293 1.00 23.41 O ATOM 0 H GLU A 54 -2.382 6.446 9.285 1.00 21.50 H new ATOM 0 HA GLU A 54 -1.015 8.030 11.251 1.00 20.10 H new ATOM 0 HB2 GLU A 54 -2.979 8.732 9.030 1.00 61.13 H new ATOM 0 HB3 GLU A 54 -2.223 9.936 10.055 1.00 61.13 H new ATOM 0 HG2 GLU A 54 0.026 9.221 9.261 1.00 0.41 H new ATOM 0 HG3 GLU A 54 -0.709 7.983 8.262 1.00 0.41 H new ATOM 918 N THR A 55 -4.307 7.602 11.637 1.00 10.01 N ATOM 919 CA THR A 55 -5.398 7.716 12.652 1.00 22.30 C ATOM 920 C THR A 55 -5.126 6.795 13.875 1.00 61.10 C ATOM 921 O THR A 55 -5.635 7.042 14.974 1.00 2.11 O ATOM 922 CB THR A 55 -6.837 7.456 12.065 1.00 33.24 C ATOM 923 OG1 THR A 55 -7.835 7.866 13.018 1.00 72.12 O ATOM 924 CG2 THR A 55 -7.095 5.981 11.693 1.00 40.35 C ATOM 0 H THR A 55 -4.567 7.085 10.797 1.00 10.01 H new ATOM 0 HA THR A 55 -5.388 8.755 12.982 1.00 22.30 H new ATOM 0 HB THR A 55 -6.898 8.041 11.148 1.00 33.24 H new ATOM 0 HG1 THR A 55 -8.728 7.704 12.647 1.00 72.12 H new ATOM 0 HG21 THR A 55 -8.105 5.877 11.296 1.00 40.35 H new ATOM 0 HG22 THR A 55 -6.374 5.664 10.939 1.00 40.35 H new ATOM 0 HG23 THR A 55 -6.989 5.358 12.581 1.00 40.35 H new ATOM 932 N MET A 56 -4.316 5.731 13.660 1.00 33.43 N ATOM 933 CA MET A 56 -3.712 4.933 14.757 1.00 13.24 C ATOM 934 C MET A 56 -2.647 5.777 15.508 1.00 42.42 C ATOM 935 O MET A 56 -2.548 5.724 16.736 1.00 2.25 O ATOM 936 CB MET A 56 -3.067 3.628 14.198 1.00 31.52 C ATOM 937 CG MET A 56 -4.062 2.576 13.687 1.00 10.41 C ATOM 938 SD MET A 56 -3.222 1.161 12.934 1.00 50.40 S ATOM 939 CE MET A 56 -4.572 0.001 12.710 1.00 30.24 C ATOM 0 H MET A 56 -4.063 5.402 12.728 1.00 33.43 H new ATOM 0 HA MET A 56 -4.501 4.655 15.456 1.00 13.24 H new ATOM 0 HB2 MET A 56 -2.394 3.894 13.383 1.00 31.52 H new ATOM 0 HB3 MET A 56 -2.457 3.178 14.982 1.00 31.52 H new ATOM 0 HG2 MET A 56 -4.683 2.231 14.514 1.00 10.41 H new ATOM 0 HG3 MET A 56 -4.730 3.033 12.956 1.00 10.41 H new ATOM 0 HE1 MET A 56 -4.175 -1.012 12.652 1.00 30.24 H new ATOM 0 HE2 MET A 56 -5.258 0.074 13.554 1.00 30.24 H new ATOM 0 HE3 MET A 56 -5.104 0.235 11.788 1.00 30.24 H new ATOM 949 N GLY A 57 -1.872 6.568 14.744 1.00 33.35 N ATOM 950 CA GLY A 57 -0.829 7.456 15.293 1.00 41.43 C ATOM 951 C GLY A 57 0.587 7.102 14.832 1.00 25.32 C ATOM 952 O GLY A 57 1.535 7.833 15.127 1.00 1.34 O ATOM 0 H GLY A 57 -1.951 6.610 13.728 1.00 33.35 H new ATOM 0 HA2 GLY A 57 -1.050 8.483 15.003 1.00 41.43 H new ATOM 0 HA3 GLY A 57 -0.867 7.417 16.382 1.00 41.43 H new ATOM 956 N PHE A 58 0.724 5.981 14.100 1.00 3.03 N ATOM 957 CA PHE A 58 2.021 5.452 13.631 1.00 11.23 C ATOM 958 C PHE A 58 2.526 6.193 12.367 1.00 13.12 C ATOM 959 O PHE A 58 2.360 5.719 11.235 1.00 72.14 O ATOM 960 CB PHE A 58 1.869 3.928 13.378 1.00 71.03 C ATOM 961 CG PHE A 58 1.668 3.109 14.650 1.00 51.44 C ATOM 962 CD1 PHE A 58 2.755 2.716 15.429 1.00 14.35 C ATOM 963 CD2 PHE A 58 0.388 2.763 15.083 1.00 44.14 C ATOM 964 CE1 PHE A 58 2.567 1.990 16.590 1.00 4.35 C ATOM 965 CE2 PHE A 58 0.199 2.042 16.242 1.00 45.10 C ATOM 966 CZ PHE A 58 1.289 1.661 17.002 1.00 21.54 C ATOM 0 H PHE A 58 -0.071 5.410 13.814 1.00 3.03 H new ATOM 0 HA PHE A 58 2.776 5.621 14.399 1.00 11.23 H new ATOM 0 HB2 PHE A 58 1.022 3.762 12.713 1.00 71.03 H new ATOM 0 HB3 PHE A 58 2.757 3.565 12.860 1.00 71.03 H new ATOM 0 HD1 PHE A 58 3.756 2.982 15.122 1.00 14.35 H new ATOM 0 HD2 PHE A 58 -0.469 3.065 14.500 1.00 44.14 H new ATOM 0 HE1 PHE A 58 3.419 1.679 17.176 1.00 4.35 H new ATOM 0 HE2 PHE A 58 -0.799 1.775 16.556 1.00 45.10 H new ATOM 0 HZ PHE A 58 1.142 1.107 17.917 1.00 21.54 H new ATOM 976 N SER A 59 3.131 7.376 12.569 1.00 11.24 N ATOM 977 CA SER A 59 3.731 8.168 11.466 1.00 75.42 C ATOM 978 C SER A 59 4.954 7.445 10.848 1.00 64.03 C ATOM 979 O SER A 59 5.257 7.637 9.670 1.00 21.52 O ATOM 980 CB SER A 59 4.133 9.576 11.962 1.00 52.22 C ATOM 981 OG SER A 59 3.012 10.288 12.467 1.00 61.11 O ATOM 0 H SER A 59 3.221 7.811 13.487 1.00 11.24 H new ATOM 0 HA SER A 59 2.975 8.273 10.687 1.00 75.42 H new ATOM 0 HB2 SER A 59 4.890 9.486 12.741 1.00 52.22 H new ATOM 0 HB3 SER A 59 4.583 10.137 11.143 1.00 52.22 H new ATOM 0 HG SER A 59 3.298 11.173 12.774 1.00 61.11 H new ATOM 987 N SER A 60 5.631 6.601 11.659 1.00 61.03 N ATOM 988 CA SER A 60 6.781 5.767 11.212 1.00 41.22 C ATOM 989 C SER A 60 6.368 4.758 10.110 1.00 14.15 C ATOM 990 O SER A 60 7.071 4.603 9.104 1.00 30.15 O ATOM 991 CB SER A 60 7.386 4.999 12.413 1.00 30.43 C ATOM 992 OG SER A 60 7.800 5.883 13.446 1.00 72.12 O ATOM 0 H SER A 60 5.399 6.475 12.644 1.00 61.03 H new ATOM 0 HA SER A 60 7.527 6.442 10.792 1.00 41.22 H new ATOM 0 HB2 SER A 60 6.649 4.299 12.806 1.00 30.43 H new ATOM 0 HB3 SER A 60 8.238 4.409 12.076 1.00 30.43 H new ATOM 0 HG SER A 60 8.175 5.365 14.189 1.00 72.12 H new ATOM 998 N VAL A 61 5.229 4.066 10.323 1.00 53.43 N ATOM 999 CA VAL A 61 4.655 3.134 9.322 1.00 13.11 C ATOM 1000 C VAL A 61 4.154 3.915 8.077 1.00 55.52 C ATOM 1001 O VAL A 61 4.335 3.470 6.940 1.00 52.31 O ATOM 1002 CB VAL A 61 3.470 2.287 9.924 1.00 51.41 C ATOM 1003 CG1 VAL A 61 2.894 1.279 8.892 1.00 5.25 C ATOM 1004 CG2 VAL A 61 3.890 1.567 11.230 1.00 21.31 C ATOM 0 H VAL A 61 4.684 4.134 11.183 1.00 53.43 H new ATOM 0 HA VAL A 61 5.449 2.448 9.027 1.00 13.11 H new ATOM 0 HB VAL A 61 2.675 2.990 10.172 1.00 51.41 H new ATOM 0 HG11 VAL A 61 2.080 0.716 9.348 1.00 5.25 H new ATOM 0 HG12 VAL A 61 2.518 1.821 8.024 1.00 5.25 H new ATOM 0 HG13 VAL A 61 3.679 0.591 8.578 1.00 5.25 H new ATOM 0 HG21 VAL A 61 3.048 0.993 11.616 1.00 21.31 H new ATOM 0 HG22 VAL A 61 4.723 0.895 11.023 1.00 21.31 H new ATOM 0 HG23 VAL A 61 4.195 2.306 11.971 1.00 21.31 H new ATOM 1014 N ALA A 62 3.555 5.101 8.328 1.00 73.25 N ATOM 1015 CA ALA A 62 3.054 6.010 7.267 1.00 71.11 C ATOM 1016 C ALA A 62 4.147 6.397 6.244 1.00 43.41 C ATOM 1017 O ALA A 62 3.816 6.652 5.093 1.00 11.44 O ATOM 1018 CB ALA A 62 2.403 7.264 7.870 1.00 4.11 C ATOM 0 H ALA A 62 3.404 5.457 9.272 1.00 73.25 H new ATOM 0 HA ALA A 62 2.293 5.453 6.720 1.00 71.11 H new ATOM 0 HB1 ALA A 62 2.046 7.910 7.068 1.00 4.11 H new ATOM 0 HB2 ALA A 62 1.564 6.971 8.501 1.00 4.11 H new ATOM 0 HB3 ALA A 62 3.137 7.802 8.470 1.00 4.11 H new ATOM 1024 N LYS A 63 5.434 6.460 6.682 1.00 40.23 N ATOM 1025 CA LYS A 63 6.603 6.648 5.766 1.00 34.24 C ATOM 1026 C LYS A 63 6.636 5.579 4.643 1.00 24.33 C ATOM 1027 O LYS A 63 6.823 5.923 3.472 1.00 73.33 O ATOM 1028 CB LYS A 63 7.966 6.633 6.545 1.00 71.54 C ATOM 1029 CG LYS A 63 8.507 8.021 6.973 1.00 41.34 C ATOM 1030 CD LYS A 63 7.607 8.766 7.975 1.00 62.32 C ATOM 1031 CE LYS A 63 8.207 10.114 8.417 1.00 72.34 C ATOM 1032 NZ LYS A 63 7.373 10.771 9.452 1.00 45.34 N ATOM 0 H LYS A 63 5.693 6.384 7.666 1.00 40.23 H new ATOM 0 HA LYS A 63 6.474 7.629 5.309 1.00 34.24 H new ATOM 0 HB2 LYS A 63 7.847 6.018 7.437 1.00 71.54 H new ATOM 0 HB3 LYS A 63 8.716 6.147 5.920 1.00 71.54 H new ATOM 0 HG2 LYS A 63 9.495 7.893 7.415 1.00 41.34 H new ATOM 0 HG3 LYS A 63 8.632 8.640 6.084 1.00 41.34 H new ATOM 0 HD2 LYS A 63 6.630 8.937 7.523 1.00 62.32 H new ATOM 0 HD3 LYS A 63 7.447 8.138 8.852 1.00 62.32 H new ATOM 0 HE2 LYS A 63 9.212 9.955 8.807 1.00 72.34 H new ATOM 0 HE3 LYS A 63 8.300 10.772 7.553 1.00 72.34 H new ATOM 0 HZ1 LYS A 63 7.808 11.675 9.725 1.00 45.34 H new ATOM 0 HZ2 LYS A 63 6.421 10.945 9.072 1.00 45.34 H new ATOM 0 HZ3 LYS A 63 7.305 10.154 10.286 1.00 45.34 H new ATOM 1046 N VAL A 64 6.447 4.295 5.016 1.00 40.51 N ATOM 1047 CA VAL A 64 6.476 3.151 4.058 1.00 22.22 C ATOM 1048 C VAL A 64 5.370 3.293 2.982 1.00 43.45 C ATOM 1049 O VAL A 64 5.604 3.083 1.793 1.00 31.54 O ATOM 1050 CB VAL A 64 6.300 1.760 4.781 1.00 25.42 C ATOM 1051 CG1 VAL A 64 6.493 0.567 3.795 1.00 2.31 C ATOM 1052 CG2 VAL A 64 7.247 1.641 6.001 1.00 14.25 C ATOM 0 H VAL A 64 6.271 4.016 5.981 1.00 40.51 H new ATOM 0 HA VAL A 64 7.458 3.178 3.586 1.00 22.22 H new ATOM 0 HB VAL A 64 5.275 1.712 5.148 1.00 25.42 H new ATOM 0 HG11 VAL A 64 6.364 -0.373 4.332 1.00 2.31 H new ATOM 0 HG12 VAL A 64 5.755 0.633 2.995 1.00 2.31 H new ATOM 0 HG13 VAL A 64 7.495 0.606 3.368 1.00 2.31 H new ATOM 0 HG21 VAL A 64 7.104 0.672 6.480 1.00 14.25 H new ATOM 0 HG22 VAL A 64 8.281 1.732 5.669 1.00 14.25 H new ATOM 0 HG23 VAL A 64 7.023 2.435 6.714 1.00 14.25 H new ATOM 1062 N LEU A 65 4.171 3.665 3.431 1.00 41.03 N ATOM 1063 CA LEU A 65 3.002 3.875 2.551 1.00 13.44 C ATOM 1064 C LEU A 65 3.141 5.194 1.753 1.00 73.45 C ATOM 1065 O LEU A 65 2.655 5.295 0.626 1.00 2.13 O ATOM 1066 CB LEU A 65 1.680 3.851 3.380 1.00 20.52 C ATOM 1067 CG LEU A 65 1.266 2.463 3.986 1.00 34.21 C ATOM 1068 CD1 LEU A 65 1.147 1.388 2.882 1.00 51.31 C ATOM 1069 CD2 LEU A 65 2.226 2.005 5.101 1.00 1.44 C ATOM 0 H LEU A 65 3.974 3.832 4.418 1.00 41.03 H new ATOM 0 HA LEU A 65 2.963 3.057 1.832 1.00 13.44 H new ATOM 0 HB2 LEU A 65 1.775 4.567 4.197 1.00 20.52 H new ATOM 0 HB3 LEU A 65 0.869 4.202 2.742 1.00 20.52 H new ATOM 0 HG LEU A 65 0.285 2.595 4.442 1.00 34.21 H new ATOM 0 HD11 LEU A 65 0.859 0.437 3.330 1.00 51.31 H new ATOM 0 HD12 LEU A 65 0.391 1.692 2.158 1.00 51.31 H new ATOM 0 HD13 LEU A 65 2.107 1.276 2.378 1.00 51.31 H new ATOM 0 HD21 LEU A 65 1.899 1.040 5.489 1.00 1.44 H new ATOM 0 HD22 LEU A 65 3.234 1.911 4.697 1.00 1.44 H new ATOM 0 HD23 LEU A 65 2.225 2.739 5.906 1.00 1.44 H new ATOM 1081 N HIS A 66 3.846 6.180 2.339 1.00 40.44 N ATOM 1082 CA HIS A 66 4.107 7.483 1.695 1.00 51.10 C ATOM 1083 C HIS A 66 5.135 7.331 0.551 1.00 65.02 C ATOM 1084 O HIS A 66 5.106 8.114 -0.419 1.00 34.00 O ATOM 1085 CB HIS A 66 4.591 8.530 2.728 1.00 73.30 C ATOM 1086 CG HIS A 66 4.687 9.935 2.182 1.00 74.51 C ATOM 1087 ND1 HIS A 66 5.792 10.413 1.505 1.00 33.42 N ATOM 1088 CD2 HIS A 66 3.788 10.945 2.182 1.00 3.35 C ATOM 1089 CE1 HIS A 66 5.568 11.648 1.114 1.00 30.42 C ATOM 1090 NE2 HIS A 66 4.360 11.993 1.510 1.00 35.43 N ATOM 0 H HIS A 66 4.251 6.097 3.272 1.00 40.44 H new ATOM 0 HA HIS A 66 3.169 7.840 1.270 1.00 51.10 H new ATOM 0 HB2 HIS A 66 3.909 8.528 3.578 1.00 73.30 H new ATOM 0 HB3 HIS A 66 5.569 8.230 3.103 1.00 73.30 H new ATOM 0 HD2 HIS A 66 2.804 10.929 2.628 1.00 3.35 H new ATOM 0 HE1 HIS A 66 6.256 12.272 0.563 1.00 30.42 H new ATOM 0 HE2 HIS A 66 3.920 12.898 1.343 1.00 35.43 H new ATOM 1099 N THR A 67 6.052 6.328 0.664 1.00 1.42 N ATOM 1100 CA THR A 67 7.004 6.028 -0.441 1.00 71.14 C ATOM 1101 C THR A 67 6.222 5.556 -1.671 1.00 44.33 C ATOM 1102 O THR A 67 6.529 5.960 -2.783 1.00 13.21 O ATOM 1103 CB THR A 67 8.110 4.949 -0.126 1.00 54.45 C ATOM 1104 OG1 THR A 67 7.539 3.641 0.008 1.00 44.23 O ATOM 1105 CG2 THR A 67 8.909 5.276 1.137 1.00 60.42 C ATOM 0 H THR A 67 6.150 5.730 1.485 1.00 1.42 H new ATOM 0 HA THR A 67 7.535 6.965 -0.606 1.00 71.14 H new ATOM 0 HB THR A 67 8.792 4.966 -0.976 1.00 54.45 H new ATOM 0 HG1 THR A 67 7.015 3.596 0.835 1.00 44.23 H new ATOM 0 HG21 THR A 67 9.656 4.500 1.306 1.00 60.42 H new ATOM 0 HG22 THR A 67 9.406 6.238 1.014 1.00 60.42 H new ATOM 0 HG23 THR A 67 8.235 5.323 1.992 1.00 60.42 H new ATOM 1113 N ILE A 68 5.172 4.736 -1.430 1.00 12.35 N ATOM 1114 CA ILE A 68 4.319 4.168 -2.498 1.00 71.34 C ATOM 1115 C ILE A 68 3.449 5.274 -3.141 1.00 25.42 C ATOM 1116 O ILE A 68 3.282 5.305 -4.350 1.00 61.21 O ATOM 1117 CB ILE A 68 3.374 3.018 -1.970 1.00 73.25 C ATOM 1118 CG1 ILE A 68 4.112 2.061 -0.981 1.00 34.13 C ATOM 1119 CG2 ILE A 68 2.741 2.223 -3.143 1.00 24.51 C ATOM 1120 CD1 ILE A 68 5.402 1.464 -1.497 1.00 33.05 C ATOM 0 H ILE A 68 4.894 4.451 -0.491 1.00 12.35 H new ATOM 0 HA ILE A 68 4.995 3.740 -3.238 1.00 71.34 H new ATOM 0 HB ILE A 68 2.569 3.500 -1.415 1.00 73.25 H new ATOM 0 HG12 ILE A 68 4.327 2.609 -0.064 1.00 34.13 H new ATOM 0 HG13 ILE A 68 3.436 1.248 -0.716 1.00 34.13 H new ATOM 0 HG21 ILE A 68 2.096 1.439 -2.745 1.00 24.51 H new ATOM 0 HG22 ILE A 68 2.151 2.898 -3.763 1.00 24.51 H new ATOM 0 HG23 ILE A 68 3.530 1.773 -3.745 1.00 24.51 H new ATOM 0 HD11 ILE A 68 5.834 0.816 -0.734 1.00 33.05 H new ATOM 0 HD12 ILE A 68 5.199 0.882 -2.396 1.00 33.05 H new ATOM 0 HD13 ILE A 68 6.104 2.264 -1.733 1.00 33.05 H new ATOM 1132 N MET A 69 2.907 6.177 -2.295 1.00 34.44 N ATOM 1133 CA MET A 69 2.130 7.365 -2.747 1.00 12.34 C ATOM 1134 C MET A 69 2.921 8.176 -3.797 1.00 30.04 C ATOM 1135 O MET A 69 2.433 8.438 -4.892 1.00 73.41 O ATOM 1136 CB MET A 69 1.797 8.283 -1.539 1.00 14.35 C ATOM 1137 CG MET A 69 0.846 7.665 -0.514 1.00 20.22 C ATOM 1138 SD MET A 69 -0.862 7.566 -1.090 1.00 13.53 S ATOM 1139 CE MET A 69 -1.301 9.301 -1.219 1.00 21.33 C ATOM 0 H MET A 69 2.992 6.108 -1.281 1.00 34.44 H new ATOM 0 HA MET A 69 1.206 7.006 -3.200 1.00 12.34 H new ATOM 0 HB2 MET A 69 2.726 8.552 -1.037 1.00 14.35 H new ATOM 0 HB3 MET A 69 1.357 9.208 -1.912 1.00 14.35 H new ATOM 0 HG2 MET A 69 1.196 6.664 -0.262 1.00 20.22 H new ATOM 0 HG3 MET A 69 0.879 8.254 0.403 1.00 20.22 H new ATOM 0 HE1 MET A 69 -2.386 9.399 -1.266 1.00 21.33 H new ATOM 0 HE2 MET A 69 -0.925 9.837 -0.347 1.00 21.33 H new ATOM 0 HE3 MET A 69 -0.859 9.722 -2.122 1.00 21.33 H new ATOM 1149 N ASN A 70 4.165 8.514 -3.441 1.00 14.44 N ATOM 1150 CA ASN A 70 5.081 9.291 -4.299 1.00 21.23 C ATOM 1151 C ASN A 70 5.519 8.476 -5.543 1.00 74.31 C ATOM 1152 O ASN A 70 5.574 9.000 -6.655 1.00 0.21 O ATOM 1153 CB ASN A 70 6.314 9.702 -3.466 1.00 25.41 C ATOM 1154 CG ASN A 70 7.252 10.658 -4.209 1.00 51.30 C ATOM 1155 OD1 ASN A 70 7.034 11.865 -4.243 1.00 13.11 O ATOM 1156 ND2 ASN A 70 8.303 10.130 -4.802 1.00 24.14 N ATOM 0 H ASN A 70 4.573 8.256 -2.542 1.00 14.44 H new ATOM 0 HA ASN A 70 4.561 10.179 -4.659 1.00 21.23 H new ATOM 0 HB2 ASN A 70 5.980 10.176 -2.543 1.00 25.41 H new ATOM 0 HB3 ASN A 70 6.868 8.807 -3.183 1.00 25.41 H new ATOM 0 HD21 ASN A 70 8.959 10.728 -5.305 1.00 24.14 H new ATOM 0 HD22 ASN A 70 8.461 9.123 -4.758 1.00 24.14 H new ATOM 1163 N LEU A 71 5.805 7.186 -5.313 1.00 14.32 N ATOM 1164 CA LEU A 71 6.341 6.251 -6.328 1.00 63.35 C ATOM 1165 C LEU A 71 5.346 6.091 -7.509 1.00 4.31 C ATOM 1166 O LEU A 71 5.706 6.258 -8.683 1.00 22.04 O ATOM 1167 CB LEU A 71 6.639 4.887 -5.618 1.00 72.23 C ATOM 1168 CG LEU A 71 7.578 3.864 -6.332 1.00 72.22 C ATOM 1169 CD1 LEU A 71 8.141 2.822 -5.323 1.00 4.43 C ATOM 1170 CD2 LEU A 71 6.865 3.144 -7.498 1.00 31.41 C ATOM 0 H LEU A 71 5.670 6.750 -4.401 1.00 14.32 H new ATOM 0 HA LEU A 71 7.264 6.640 -6.758 1.00 63.35 H new ATOM 0 HB2 LEU A 71 7.072 5.109 -4.642 1.00 72.23 H new ATOM 0 HB3 LEU A 71 5.685 4.392 -5.438 1.00 72.23 H new ATOM 0 HG LEU A 71 8.409 4.434 -6.748 1.00 72.22 H new ATOM 0 HD11 LEU A 71 8.792 2.122 -5.848 1.00 4.43 H new ATOM 0 HD12 LEU A 71 8.710 3.336 -4.549 1.00 4.43 H new ATOM 0 HD13 LEU A 71 7.316 2.277 -4.865 1.00 4.43 H new ATOM 0 HD21 LEU A 71 7.554 2.441 -7.967 1.00 31.41 H new ATOM 0 HD22 LEU A 71 5.999 2.603 -7.117 1.00 31.41 H new ATOM 0 HD23 LEU A 71 6.539 3.879 -8.234 1.00 31.41 H new ATOM 1182 N VAL A 72 4.092 5.776 -7.158 1.00 72.35 N ATOM 1183 CA VAL A 72 2.993 5.598 -8.122 1.00 21.12 C ATOM 1184 C VAL A 72 2.640 6.940 -8.812 1.00 43.42 C ATOM 1185 O VAL A 72 2.445 6.978 -10.025 1.00 35.33 O ATOM 1186 CB VAL A 72 1.707 5.012 -7.429 1.00 53.14 C ATOM 1187 CG1 VAL A 72 0.587 4.781 -8.464 1.00 11.23 C ATOM 1188 CG2 VAL A 72 2.021 3.705 -6.662 1.00 14.23 C ATOM 0 H VAL A 72 3.807 5.636 -6.189 1.00 72.35 H new ATOM 0 HA VAL A 72 3.338 4.888 -8.873 1.00 21.12 H new ATOM 0 HB VAL A 72 1.360 5.746 -6.702 1.00 53.14 H new ATOM 0 HG11 VAL A 72 -0.293 4.376 -7.964 1.00 11.23 H new ATOM 0 HG12 VAL A 72 0.330 5.728 -8.940 1.00 11.23 H new ATOM 0 HG13 VAL A 72 0.931 4.076 -9.221 1.00 11.23 H new ATOM 0 HG21 VAL A 72 1.110 3.329 -6.196 1.00 14.23 H new ATOM 0 HG22 VAL A 72 2.408 2.959 -7.357 1.00 14.23 H new ATOM 0 HG23 VAL A 72 2.766 3.905 -5.892 1.00 14.23 H new ATOM 1198 N ASP A 73 2.578 8.023 -8.008 1.00 53.20 N ATOM 1199 CA ASP A 73 2.273 9.397 -8.487 1.00 31.12 C ATOM 1200 C ASP A 73 3.331 9.916 -9.502 1.00 72.42 C ATOM 1201 O ASP A 73 3.004 10.690 -10.402 1.00 62.35 O ATOM 1202 CB ASP A 73 2.156 10.355 -7.270 1.00 54.11 C ATOM 1203 CG ASP A 73 1.892 11.826 -7.645 1.00 42.25 C ATOM 1204 OD1 ASP A 73 0.799 12.127 -8.165 1.00 10.12 O ATOM 1205 OD2 ASP A 73 2.780 12.686 -7.425 1.00 13.43 O ATOM 0 H ASP A 73 2.738 7.973 -7.002 1.00 53.20 H new ATOM 0 HA ASP A 73 1.322 9.366 -9.019 1.00 31.12 H new ATOM 0 HB2 ASP A 73 1.350 10.007 -6.624 1.00 54.11 H new ATOM 0 HB3 ASP A 73 3.077 10.300 -6.689 1.00 54.11 H new ATOM 1210 N LYS A 74 4.594 9.476 -9.357 1.00 23.22 N ATOM 1211 CA LYS A 74 5.689 9.856 -10.285 1.00 72.33 C ATOM 1212 C LYS A 74 5.531 9.144 -11.646 1.00 51.43 C ATOM 1213 O LYS A 74 5.520 9.795 -12.695 1.00 44.52 O ATOM 1214 CB LYS A 74 7.096 9.567 -9.638 1.00 42.10 C ATOM 1215 CG LYS A 74 7.886 10.818 -9.125 1.00 30.43 C ATOM 1216 CD LYS A 74 7.349 11.474 -7.817 1.00 61.30 C ATOM 1217 CE LYS A 74 6.082 12.328 -7.998 1.00 72.43 C ATOM 1218 NZ LYS A 74 5.626 12.932 -6.721 1.00 14.45 N ATOM 0 H LYS A 74 4.888 8.854 -8.604 1.00 23.22 H new ATOM 0 HA LYS A 74 5.625 10.929 -10.469 1.00 72.33 H new ATOM 0 HB2 LYS A 74 6.955 8.883 -8.801 1.00 42.10 H new ATOM 0 HB3 LYS A 74 7.712 9.049 -10.373 1.00 42.10 H new ATOM 0 HG2 LYS A 74 8.924 10.527 -8.963 1.00 30.43 H new ATOM 0 HG3 LYS A 74 7.886 11.571 -9.913 1.00 30.43 H new ATOM 0 HD2 LYS A 74 7.140 10.688 -7.092 1.00 61.30 H new ATOM 0 HD3 LYS A 74 8.134 12.099 -7.392 1.00 61.30 H new ATOM 0 HE2 LYS A 74 6.279 13.119 -8.722 1.00 72.43 H new ATOM 0 HE3 LYS A 74 5.285 11.710 -8.411 1.00 72.43 H new ATOM 0 HZ1 LYS A 74 4.594 12.831 -6.638 1.00 14.45 H new ATOM 0 HZ2 LYS A 74 6.086 12.448 -5.924 1.00 14.45 H new ATOM 0 HZ3 LYS A 74 5.878 13.941 -6.705 1.00 14.45 H new ATOM 1232 N MET A 75 5.367 7.812 -11.602 1.00 51.34 N ATOM 1233 CA MET A 75 5.202 6.972 -12.812 1.00 44.31 C ATOM 1234 C MET A 75 3.881 7.288 -13.553 1.00 43.33 C ATOM 1235 O MET A 75 3.800 7.134 -14.777 1.00 3.02 O ATOM 1236 CB MET A 75 5.285 5.474 -12.448 1.00 23.52 C ATOM 1237 CG MET A 75 6.618 5.057 -11.794 1.00 54.43 C ATOM 1238 SD MET A 75 6.783 3.268 -11.601 1.00 12.41 S ATOM 1239 CE MET A 75 5.293 2.875 -10.694 1.00 4.34 C ATOM 0 H MET A 75 5.344 7.282 -10.731 1.00 51.34 H new ATOM 0 HA MET A 75 6.020 7.209 -13.493 1.00 44.31 H new ATOM 0 HB2 MET A 75 4.468 5.230 -11.769 1.00 23.52 H new ATOM 0 HB3 MET A 75 5.136 4.883 -13.352 1.00 23.52 H new ATOM 0 HG2 MET A 75 7.445 5.429 -12.399 1.00 54.43 H new ATOM 0 HG3 MET A 75 6.700 5.531 -10.816 1.00 54.43 H new ATOM 0 HE1 MET A 75 5.449 1.965 -10.114 1.00 4.34 H new ATOM 0 HE2 MET A 75 5.049 3.697 -10.021 1.00 4.34 H new ATOM 0 HE3 MET A 75 4.471 2.723 -11.393 1.00 4.34 H new ATOM 1249 N LEU A 76 2.864 7.722 -12.768 1.00 51.45 N ATOM 1250 CA LEU A 76 1.545 8.228 -13.256 1.00 73.21 C ATOM 1251 C LEU A 76 1.739 9.285 -14.363 1.00 21.24 C ATOM 1252 O LEU A 76 1.022 9.324 -15.367 1.00 24.23 O ATOM 1253 CB LEU A 76 0.798 8.901 -12.070 1.00 54.31 C ATOM 1254 CG LEU A 76 -0.746 9.097 -12.218 1.00 10.35 C ATOM 1255 CD1 LEU A 76 -1.474 7.748 -12.448 1.00 60.41 C ATOM 1256 CD2 LEU A 76 -1.318 9.833 -10.978 1.00 11.30 C ATOM 0 H LEU A 76 2.935 7.732 -11.750 1.00 51.45 H new ATOM 0 HA LEU A 76 0.977 7.389 -13.656 1.00 73.21 H new ATOM 0 HB2 LEU A 76 0.979 8.305 -11.175 1.00 54.31 H new ATOM 0 HB3 LEU A 76 1.248 9.879 -11.898 1.00 54.31 H new ATOM 0 HG LEU A 76 -0.922 9.713 -13.100 1.00 10.35 H new ATOM 0 HD11 LEU A 76 -2.545 7.925 -12.546 1.00 60.41 H new ATOM 0 HD12 LEU A 76 -1.098 7.282 -13.359 1.00 60.41 H new ATOM 0 HD13 LEU A 76 -1.291 7.087 -11.601 1.00 60.41 H new ATOM 0 HD21 LEU A 76 -2.394 9.962 -11.096 1.00 11.30 H new ATOM 0 HD22 LEU A 76 -1.119 9.245 -10.082 1.00 11.30 H new ATOM 0 HD23 LEU A 76 -0.844 10.810 -10.884 1.00 11.30 H new ATOM 1268 N ASN A 77 2.728 10.135 -14.107 1.00 24.40 N ATOM 1269 CA ASN A 77 3.135 11.219 -14.986 1.00 24.35 C ATOM 1270 C ASN A 77 4.204 10.691 -15.987 1.00 14.44 C ATOM 1271 O ASN A 77 5.232 10.135 -15.571 1.00 44.41 O ATOM 1272 CB ASN A 77 3.690 12.371 -14.106 1.00 74.04 C ATOM 1273 CG ASN A 77 2.821 12.705 -12.884 1.00 63.42 C ATOM 1274 OD1 ASN A 77 1.598 12.606 -12.912 1.00 60.21 O ATOM 1275 ND2 ASN A 77 3.452 13.097 -11.795 1.00 11.12 N ATOM 0 H ASN A 77 3.285 10.084 -13.254 1.00 24.40 H new ATOM 0 HA ASN A 77 2.294 11.596 -15.568 1.00 24.35 H new ATOM 0 HB2 ASN A 77 4.690 12.103 -13.764 1.00 74.04 H new ATOM 0 HB3 ASN A 77 3.792 13.266 -14.720 1.00 74.04 H new ATOM 0 HD21 ASN A 77 2.923 13.325 -10.953 1.00 11.12 H new ATOM 0 HD22 ASN A 77 4.469 13.172 -11.794 1.00 11.12 H new ATOM 1282 N SER A 78 3.956 10.876 -17.303 1.00 20.53 N ATOM 1283 CA SER A 78 4.832 10.344 -18.390 1.00 3.33 C ATOM 1284 C SER A 78 6.262 10.961 -18.401 1.00 12.31 C ATOM 1285 O SER A 78 7.126 10.510 -19.158 1.00 14.41 O ATOM 1286 CB SER A 78 4.156 10.549 -19.765 1.00 35.31 C ATOM 1287 OG SER A 78 2.899 9.889 -19.837 1.00 40.43 O ATOM 0 H SER A 78 3.149 11.395 -17.648 1.00 20.53 H new ATOM 0 HA SER A 78 4.959 9.281 -18.187 1.00 3.33 H new ATOM 0 HB2 SER A 78 4.018 11.615 -19.947 1.00 35.31 H new ATOM 0 HB3 SER A 78 4.810 10.173 -20.552 1.00 35.31 H new ATOM 0 HG SER A 78 2.500 10.041 -20.719 1.00 40.43 H new ATOM 1293 N GLU A 79 6.503 11.974 -17.546 1.00 74.11 N ATOM 1294 CA GLU A 79 7.829 12.620 -17.376 1.00 5.11 C ATOM 1295 C GLU A 79 8.853 11.658 -16.715 1.00 44.31 C ATOM 1296 O GLU A 79 10.066 11.802 -16.894 1.00 40.33 O ATOM 1297 CB GLU A 79 7.666 13.910 -16.519 1.00 61.42 C ATOM 1298 CG GLU A 79 7.004 13.675 -15.143 1.00 64.14 C ATOM 1299 CD GLU A 79 6.863 14.940 -14.282 1.00 62.23 C ATOM 1300 OE1 GLU A 79 7.830 15.289 -13.569 1.00 41.13 O ATOM 1301 OE2 GLU A 79 5.785 15.575 -14.297 1.00 22.20 O ATOM 0 H GLU A 79 5.780 12.374 -16.947 1.00 74.11 H new ATOM 0 HA GLU A 79 8.216 12.879 -18.362 1.00 5.11 H new ATOM 0 HB2 GLU A 79 8.648 14.358 -16.366 1.00 61.42 H new ATOM 0 HB3 GLU A 79 7.070 14.632 -17.078 1.00 61.42 H new ATOM 0 HG2 GLU A 79 6.015 13.244 -15.298 1.00 64.14 H new ATOM 0 HG3 GLU A 79 7.590 12.939 -14.592 1.00 64.14 H new ATOM 1308 N ILE A 80 8.335 10.677 -15.955 1.00 20.34 N ATOM 1309 CA ILE A 80 9.144 9.707 -15.176 1.00 64.24 C ATOM 1310 C ILE A 80 9.100 8.295 -15.815 1.00 32.22 C ATOM 1311 O ILE A 80 10.145 7.649 -15.941 1.00 11.34 O ATOM 1312 CB ILE A 80 8.611 9.654 -13.696 1.00 70.02 C ATOM 1313 CG1 ILE A 80 8.628 11.086 -13.057 1.00 14.32 C ATOM 1314 CG2 ILE A 80 9.379 8.626 -12.819 1.00 64.43 C ATOM 1315 CD1 ILE A 80 10.009 11.636 -12.708 1.00 71.03 C ATOM 0 H ILE A 80 7.330 10.529 -15.860 1.00 20.34 H new ATOM 0 HA ILE A 80 10.183 10.038 -15.180 1.00 64.24 H new ATOM 0 HB ILE A 80 7.579 9.305 -13.734 1.00 70.02 H new ATOM 0 HG12 ILE A 80 8.145 11.778 -13.747 1.00 14.32 H new ATOM 0 HG13 ILE A 80 8.024 11.067 -12.150 1.00 14.32 H new ATOM 0 HG21 ILE A 80 8.970 8.632 -11.809 1.00 64.43 H new ATOM 0 HG22 ILE A 80 9.272 7.630 -13.248 1.00 64.43 H new ATOM 0 HG23 ILE A 80 10.435 8.894 -12.784 1.00 64.43 H new ATOM 0 HD11 ILE A 80 9.905 12.630 -12.273 1.00 71.03 H new ATOM 0 HD12 ILE A 80 10.493 10.974 -11.990 1.00 71.03 H new ATOM 0 HD13 ILE A 80 10.615 11.697 -13.612 1.00 71.03 H new ATOM 1327 N LYS A 81 7.869 7.838 -16.179 1.00 23.22 N ATOM 1328 CA LYS A 81 7.608 6.524 -16.855 1.00 33.03 C ATOM 1329 C LYS A 81 7.762 5.321 -15.862 1.00 11.31 C ATOM 1330 O LYS A 81 8.505 5.390 -14.873 1.00 13.25 O ATOM 1331 CB LYS A 81 8.492 6.373 -18.157 1.00 41.31 C ATOM 1332 CG LYS A 81 7.827 5.675 -19.385 1.00 43.22 C ATOM 1333 CD LYS A 81 7.768 4.129 -19.309 1.00 62.13 C ATOM 1334 CE LYS A 81 9.154 3.469 -19.290 1.00 41.41 C ATOM 1335 NZ LYS A 81 9.070 1.985 -19.298 1.00 71.23 N ATOM 0 H LYS A 81 7.017 8.374 -16.012 1.00 23.22 H new ATOM 0 HA LYS A 81 6.568 6.508 -17.181 1.00 33.03 H new ATOM 0 HB2 LYS A 81 8.814 7.368 -18.465 1.00 41.31 H new ATOM 0 HB3 LYS A 81 9.390 5.814 -17.894 1.00 41.31 H new ATOM 0 HG2 LYS A 81 6.812 6.057 -19.495 1.00 43.22 H new ATOM 0 HG3 LYS A 81 8.373 5.959 -20.285 1.00 43.22 H new ATOM 0 HD2 LYS A 81 7.222 3.837 -18.412 1.00 62.13 H new ATOM 0 HD3 LYS A 81 7.205 3.751 -20.163 1.00 62.13 H new ATOM 0 HE2 LYS A 81 9.726 3.803 -20.156 1.00 41.41 H new ATOM 0 HE3 LYS A 81 9.698 3.796 -18.404 1.00 41.41 H new ATOM 0 HZ1 LYS A 81 10.004 1.586 -19.522 1.00 71.23 H new ATOM 0 HZ2 LYS A 81 8.766 1.649 -18.362 1.00 71.23 H new ATOM 0 HZ3 LYS A 81 8.382 1.680 -20.016 1.00 71.23 H new ATOM 1349 N ILE A 82 7.046 4.217 -16.155 1.00 35.11 N ATOM 1350 CA ILE A 82 6.914 3.058 -15.251 1.00 44.34 C ATOM 1351 C ILE A 82 8.077 2.085 -15.464 1.00 42.31 C ATOM 1352 O ILE A 82 8.249 1.564 -16.567 1.00 33.01 O ATOM 1353 CB ILE A 82 5.557 2.265 -15.472 1.00 53.42 C ATOM 1354 CG1 ILE A 82 4.304 3.198 -15.417 1.00 23.02 C ATOM 1355 CG2 ILE A 82 5.412 1.107 -14.447 1.00 41.24 C ATOM 1356 CD1 ILE A 82 4.035 4.013 -16.675 1.00 33.12 C ATOM 0 H ILE A 82 6.539 4.104 -17.033 1.00 35.11 H new ATOM 0 HA ILE A 82 6.921 3.456 -14.236 1.00 44.34 H new ATOM 0 HB ILE A 82 5.605 1.843 -16.476 1.00 53.42 H new ATOM 0 HG12 ILE A 82 3.427 2.586 -15.208 1.00 23.02 H new ATOM 0 HG13 ILE A 82 4.421 3.885 -14.579 1.00 23.02 H new ATOM 0 HG21 ILE A 82 4.473 0.581 -14.622 1.00 41.24 H new ATOM 0 HG22 ILE A 82 6.244 0.412 -14.563 1.00 41.24 H new ATOM 0 HG23 ILE A 82 5.417 1.514 -13.436 1.00 41.24 H new ATOM 0 HD11 ILE A 82 3.144 4.624 -16.529 1.00 33.12 H new ATOM 0 HD12 ILE A 82 4.889 4.659 -16.880 1.00 33.12 H new ATOM 0 HD13 ILE A 82 3.879 3.340 -17.518 1.00 33.12 H new ATOM 1368 N THR A 83 8.864 1.849 -14.408 1.00 44.24 N ATOM 1369 CA THR A 83 9.971 0.882 -14.448 1.00 12.42 C ATOM 1370 C THR A 83 9.497 -0.485 -13.897 1.00 3.34 C ATOM 1371 O THR A 83 9.010 -0.553 -12.763 1.00 24.43 O ATOM 1372 CB THR A 83 11.202 1.404 -13.629 1.00 1.31 C ATOM 1373 OG1 THR A 83 11.647 2.657 -14.162 1.00 13.51 O ATOM 1374 CG2 THR A 83 12.384 0.412 -13.623 1.00 1.15 C ATOM 0 H THR A 83 8.755 2.317 -13.509 1.00 44.24 H new ATOM 0 HA THR A 83 10.285 0.759 -15.485 1.00 12.42 H new ATOM 0 HB THR A 83 10.865 1.521 -12.599 1.00 1.31 H new ATOM 0 HG1 THR A 83 12.415 2.978 -13.645 1.00 13.51 H new ATOM 0 HG21 THR A 83 13.206 0.829 -13.041 1.00 1.15 H new ATOM 0 HG22 THR A 83 12.066 -0.531 -13.178 1.00 1.15 H new ATOM 0 HG23 THR A 83 12.717 0.236 -14.646 1.00 1.15 H new ATOM 1382 N SER A 84 9.652 -1.568 -14.696 1.00 54.02 N ATOM 1383 CA SER A 84 9.123 -2.920 -14.344 1.00 22.30 C ATOM 1384 C SER A 84 9.746 -3.500 -13.047 1.00 12.15 C ATOM 1385 O SER A 84 9.041 -4.112 -12.242 1.00 71.32 O ATOM 1386 CB SER A 84 9.309 -3.914 -15.510 1.00 24.12 C ATOM 1387 OG SER A 84 10.678 -4.149 -15.788 1.00 11.44 O ATOM 0 H SER A 84 10.139 -1.537 -15.592 1.00 54.02 H new ATOM 0 HA SER A 84 8.058 -2.783 -14.156 1.00 22.30 H new ATOM 0 HB2 SER A 84 8.821 -4.857 -15.265 1.00 24.12 H new ATOM 0 HB3 SER A 84 8.819 -3.524 -16.402 1.00 24.12 H new ATOM 0 HG SER A 84 10.757 -4.784 -16.530 1.00 11.44 H new ATOM 1393 N ASP A 85 11.060 -3.300 -12.849 1.00 20.25 N ATOM 1394 CA ASP A 85 11.767 -3.750 -11.620 1.00 1.12 C ATOM 1395 C ASP A 85 11.419 -2.885 -10.384 1.00 21.14 C ATOM 1396 O ASP A 85 11.507 -3.356 -9.245 1.00 73.40 O ATOM 1397 CB ASP A 85 13.292 -3.761 -11.847 1.00 62.13 C ATOM 1398 CG ASP A 85 13.716 -4.747 -12.950 1.00 41.14 C ATOM 1399 OD1 ASP A 85 13.765 -4.349 -14.134 1.00 64.42 O ATOM 1400 OD2 ASP A 85 13.972 -5.932 -12.638 1.00 52.20 O ATOM 0 H ASP A 85 11.663 -2.828 -13.523 1.00 20.25 H new ATOM 0 HA ASP A 85 11.424 -4.764 -11.412 1.00 1.12 H new ATOM 0 HB2 ASP A 85 13.624 -2.758 -12.114 1.00 62.13 H new ATOM 0 HB3 ASP A 85 13.793 -4.025 -10.916 1.00 62.13 H new ATOM 1405 N LEU A 86 11.034 -1.621 -10.618 1.00 61.44 N ATOM 1406 CA LEU A 86 10.599 -0.692 -9.545 1.00 3.41 C ATOM 1407 C LEU A 86 9.236 -1.129 -8.949 1.00 3.33 C ATOM 1408 O LEU A 86 8.941 -0.877 -7.775 1.00 3.12 O ATOM 1409 CB LEU A 86 10.513 0.751 -10.076 1.00 71.43 C ATOM 1410 CG LEU A 86 10.257 1.858 -9.009 1.00 41.14 C ATOM 1411 CD1 LEU A 86 11.485 2.071 -8.089 1.00 50.40 C ATOM 1412 CD2 LEU A 86 9.810 3.172 -9.682 1.00 61.03 C ATOM 0 H LEU A 86 11.013 -1.208 -11.550 1.00 61.44 H new ATOM 0 HA LEU A 86 11.345 -0.726 -8.751 1.00 3.41 H new ATOM 0 HB2 LEU A 86 11.444 0.982 -10.594 1.00 71.43 H new ATOM 0 HB3 LEU A 86 9.715 0.797 -10.817 1.00 71.43 H new ATOM 0 HG LEU A 86 9.444 1.518 -8.367 1.00 41.14 H new ATOM 0 HD11 LEU A 86 11.263 2.851 -7.361 1.00 50.40 H new ATOM 0 HD12 LEU A 86 11.714 1.142 -7.567 1.00 50.40 H new ATOM 0 HD13 LEU A 86 12.343 2.370 -8.691 1.00 50.40 H new ATOM 0 HD21 LEU A 86 9.637 3.931 -8.919 1.00 61.03 H new ATOM 0 HD22 LEU A 86 10.588 3.514 -10.364 1.00 61.03 H new ATOM 0 HD23 LEU A 86 8.889 3.001 -10.239 1.00 61.03 H new ATOM 1424 N ILE A 87 8.397 -1.748 -9.797 1.00 33.42 N ATOM 1425 CA ILE A 87 7.124 -2.384 -9.370 1.00 53.24 C ATOM 1426 C ILE A 87 7.375 -3.456 -8.258 1.00 52.21 C ATOM 1427 O ILE A 87 6.549 -3.643 -7.353 1.00 52.34 O ATOM 1428 CB ILE A 87 6.400 -3.065 -10.596 1.00 12.45 C ATOM 1429 CG1 ILE A 87 6.255 -2.067 -11.788 1.00 55.41 C ATOM 1430 CG2 ILE A 87 5.017 -3.642 -10.207 1.00 14.13 C ATOM 1431 CD1 ILE A 87 5.609 -2.647 -13.038 1.00 71.23 C ATOM 0 H ILE A 87 8.576 -1.825 -10.798 1.00 33.42 H new ATOM 0 HA ILE A 87 6.486 -1.598 -8.966 1.00 53.24 H new ATOM 0 HB ILE A 87 7.029 -3.897 -10.912 1.00 12.45 H new ATOM 0 HG12 ILE A 87 5.666 -1.212 -11.456 1.00 55.41 H new ATOM 0 HG13 ILE A 87 7.244 -1.691 -12.050 1.00 55.41 H new ATOM 0 HG21 ILE A 87 4.555 -4.101 -11.081 1.00 14.13 H new ATOM 0 HG22 ILE A 87 5.142 -4.393 -9.427 1.00 14.13 H new ATOM 0 HG23 ILE A 87 4.378 -2.839 -9.839 1.00 14.13 H new ATOM 0 HD11 ILE A 87 5.553 -1.878 -13.809 1.00 71.23 H new ATOM 0 HD12 ILE A 87 6.207 -3.483 -13.402 1.00 71.23 H new ATOM 0 HD13 ILE A 87 4.604 -2.996 -12.800 1.00 71.23 H new ATOM 1443 N ASP A 88 8.546 -4.135 -8.338 1.00 54.43 N ATOM 1444 CA ASP A 88 8.968 -5.143 -7.333 1.00 61.12 C ATOM 1445 C ASP A 88 9.340 -4.487 -5.981 1.00 74.02 C ATOM 1446 O ASP A 88 9.235 -5.131 -4.930 1.00 15.23 O ATOM 1447 CB ASP A 88 10.145 -5.983 -7.873 1.00 3.11 C ATOM 1448 CG ASP A 88 9.766 -6.764 -9.140 1.00 62.13 C ATOM 1449 OD1 ASP A 88 9.243 -7.892 -9.025 1.00 35.04 O ATOM 1450 OD2 ASP A 88 9.983 -6.254 -10.255 1.00 22.44 O ATOM 0 H ASP A 88 9.219 -4.002 -9.093 1.00 54.43 H new ATOM 0 HA ASP A 88 8.119 -5.803 -7.152 1.00 61.12 H new ATOM 0 HB2 ASP A 88 10.988 -5.327 -8.091 1.00 3.11 H new ATOM 0 HB3 ASP A 88 10.475 -6.681 -7.103 1.00 3.11 H new ATOM 1455 N LYS A 89 9.799 -3.212 -6.023 1.00 35.13 N ATOM 1456 CA LYS A 89 10.043 -2.409 -4.800 1.00 60.31 C ATOM 1457 C LYS A 89 8.716 -2.161 -4.038 1.00 35.41 C ATOM 1458 O LYS A 89 8.664 -2.294 -2.814 1.00 40.44 O ATOM 1459 CB LYS A 89 10.721 -1.056 -5.153 1.00 64.04 C ATOM 1460 CG LYS A 89 11.034 -0.155 -3.933 1.00 64.02 C ATOM 1461 CD LYS A 89 11.762 1.152 -4.321 1.00 64.42 C ATOM 1462 CE LYS A 89 12.021 2.058 -3.107 1.00 23.44 C ATOM 1463 NZ LYS A 89 12.738 3.306 -3.478 1.00 62.11 N ATOM 0 H LYS A 89 10.008 -2.718 -6.891 1.00 35.13 H new ATOM 0 HA LYS A 89 10.716 -2.973 -4.154 1.00 60.31 H new ATOM 0 HB2 LYS A 89 11.650 -1.258 -5.687 1.00 64.04 H new ATOM 0 HB3 LYS A 89 10.073 -0.507 -5.837 1.00 64.04 H new ATOM 0 HG2 LYS A 89 10.103 0.092 -3.422 1.00 64.02 H new ATOM 0 HG3 LYS A 89 11.649 -0.711 -3.225 1.00 64.02 H new ATOM 0 HD2 LYS A 89 12.711 0.909 -4.799 1.00 64.42 H new ATOM 0 HD3 LYS A 89 11.165 1.694 -5.055 1.00 64.42 H new ATOM 0 HE2 LYS A 89 11.071 2.313 -2.638 1.00 23.44 H new ATOM 0 HE3 LYS A 89 12.606 1.512 -2.367 1.00 23.44 H new ATOM 0 HZ1 LYS A 89 12.890 3.885 -2.627 1.00 62.11 H new ATOM 0 HZ2 LYS A 89 13.657 3.066 -3.902 1.00 62.11 H new ATOM 0 HZ3 LYS A 89 12.169 3.842 -4.164 1.00 62.11 H new ATOM 1477 N VAL A 90 7.650 -1.827 -4.797 1.00 74.20 N ATOM 1478 CA VAL A 90 6.280 -1.616 -4.251 1.00 33.33 C ATOM 1479 C VAL A 90 5.778 -2.883 -3.511 1.00 25.54 C ATOM 1480 O VAL A 90 5.324 -2.817 -2.362 1.00 63.51 O ATOM 1481 CB VAL A 90 5.259 -1.253 -5.399 1.00 63.52 C ATOM 1482 CG1 VAL A 90 3.855 -0.925 -4.834 1.00 63.43 C ATOM 1483 CG2 VAL A 90 5.789 -0.099 -6.274 1.00 42.10 C ATOM 0 H VAL A 90 7.709 -1.695 -5.807 1.00 74.20 H new ATOM 0 HA VAL A 90 6.338 -0.785 -3.548 1.00 33.33 H new ATOM 0 HB VAL A 90 5.158 -2.134 -6.032 1.00 63.52 H new ATOM 0 HG11 VAL A 90 3.181 -0.680 -5.655 1.00 63.43 H new ATOM 0 HG12 VAL A 90 3.470 -1.789 -4.293 1.00 63.43 H new ATOM 0 HG13 VAL A 90 3.925 -0.074 -4.156 1.00 63.43 H new ATOM 0 HG21 VAL A 90 5.064 0.128 -7.055 1.00 42.10 H new ATOM 0 HG22 VAL A 90 5.944 0.785 -5.655 1.00 42.10 H new ATOM 0 HG23 VAL A 90 6.734 -0.393 -6.730 1.00 42.10 H new ATOM 1493 N LYS A 91 5.904 -4.033 -4.202 1.00 61.33 N ATOM 1494 CA LYS A 91 5.585 -5.369 -3.653 1.00 70.54 C ATOM 1495 C LYS A 91 6.379 -5.680 -2.363 1.00 54.11 C ATOM 1496 O LYS A 91 5.815 -6.203 -1.395 1.00 1.32 O ATOM 1497 CB LYS A 91 5.881 -6.454 -4.726 1.00 20.14 C ATOM 1498 CG LYS A 91 4.883 -6.479 -5.903 1.00 23.13 C ATOM 1499 CD LYS A 91 3.495 -7.045 -5.494 1.00 54.51 C ATOM 1500 CE LYS A 91 3.547 -8.536 -5.125 1.00 13.01 C ATOM 1501 NZ LYS A 91 4.129 -9.354 -6.223 1.00 71.24 N ATOM 0 H LYS A 91 6.233 -4.063 -5.167 1.00 61.33 H new ATOM 0 HA LYS A 91 4.527 -5.374 -3.392 1.00 70.54 H new ATOM 0 HB2 LYS A 91 6.884 -6.293 -5.120 1.00 20.14 H new ATOM 0 HB3 LYS A 91 5.881 -7.432 -4.245 1.00 20.14 H new ATOM 0 HG2 LYS A 91 4.759 -5.468 -6.292 1.00 23.13 H new ATOM 0 HG3 LYS A 91 5.294 -7.083 -6.711 1.00 23.13 H new ATOM 0 HD2 LYS A 91 3.112 -6.478 -4.645 1.00 54.51 H new ATOM 0 HD3 LYS A 91 2.793 -6.903 -6.315 1.00 54.51 H new ATOM 0 HE2 LYS A 91 4.140 -8.667 -4.220 1.00 13.01 H new ATOM 0 HE3 LYS A 91 2.541 -8.891 -4.901 1.00 13.01 H new ATOM 0 HZ1 LYS A 91 4.070 -10.362 -5.974 1.00 71.24 H new ATOM 0 HZ2 LYS A 91 3.599 -9.183 -7.101 1.00 71.24 H new ATOM 0 HZ3 LYS A 91 5.125 -9.089 -6.363 1.00 71.24 H new ATOM 1515 N LYS A 92 7.680 -5.338 -2.368 1.00 30.34 N ATOM 1516 CA LYS A 92 8.592 -5.583 -1.234 1.00 12.55 C ATOM 1517 C LYS A 92 8.201 -4.763 0.021 1.00 51.02 C ATOM 1518 O LYS A 92 8.395 -5.206 1.161 1.00 4.54 O ATOM 1519 CB LYS A 92 10.043 -5.265 -1.661 1.00 5.12 C ATOM 1520 CG LYS A 92 11.105 -5.557 -0.580 1.00 23.43 C ATOM 1521 CD LYS A 92 11.211 -7.061 -0.219 1.00 44.13 C ATOM 1522 CE LYS A 92 11.632 -7.942 -1.411 1.00 0.42 C ATOM 1523 NZ LYS A 92 11.754 -9.371 -1.023 1.00 24.34 N ATOM 0 H LYS A 92 8.131 -4.882 -3.161 1.00 30.34 H new ATOM 0 HA LYS A 92 8.512 -6.635 -0.960 1.00 12.55 H new ATOM 0 HB2 LYS A 92 10.281 -5.844 -2.553 1.00 5.12 H new ATOM 0 HB3 LYS A 92 10.105 -4.213 -1.939 1.00 5.12 H new ATOM 0 HG2 LYS A 92 12.076 -5.204 -0.929 1.00 23.43 H new ATOM 0 HG3 LYS A 92 10.864 -4.990 0.319 1.00 23.43 H new ATOM 0 HD2 LYS A 92 11.933 -7.184 0.589 1.00 44.13 H new ATOM 0 HD3 LYS A 92 10.248 -7.406 0.158 1.00 44.13 H new ATOM 0 HE2 LYS A 92 10.900 -7.844 -2.212 1.00 0.42 H new ATOM 0 HE3 LYS A 92 12.585 -7.589 -1.805 1.00 0.42 H new ATOM 0 HZ1 LYS A 92 12.039 -9.932 -1.851 1.00 24.34 H new ATOM 0 HZ2 LYS A 92 12.471 -9.468 -0.276 1.00 24.34 H new ATOM 0 HZ3 LYS A 92 10.838 -9.714 -0.670 1.00 24.34 H new ATOM 1537 N LYS A 93 7.660 -3.563 -0.206 1.00 63.52 N ATOM 1538 CA LYS A 93 7.132 -2.709 0.875 1.00 14.22 C ATOM 1539 C LYS A 93 5.874 -3.323 1.529 1.00 21.01 C ATOM 1540 O LYS A 93 5.726 -3.247 2.746 1.00 44.31 O ATOM 1541 CB LYS A 93 6.835 -1.286 0.360 1.00 73.24 C ATOM 1542 CG LYS A 93 8.062 -0.529 -0.201 1.00 1.45 C ATOM 1543 CD LYS A 93 9.193 -0.350 0.832 1.00 33.04 C ATOM 1544 CE LYS A 93 10.393 0.425 0.258 1.00 4.21 C ATOM 1545 NZ LYS A 93 11.483 0.550 1.250 1.00 4.20 N ATOM 0 H LYS A 93 7.573 -3.153 -1.136 1.00 63.52 H new ATOM 0 HA LYS A 93 7.905 -2.645 1.641 1.00 14.22 H new ATOM 0 HB2 LYS A 93 6.076 -1.348 -0.420 1.00 73.24 H new ATOM 0 HB3 LYS A 93 6.407 -0.702 1.175 1.00 73.24 H new ATOM 0 HG2 LYS A 93 8.450 -1.070 -1.064 1.00 1.45 H new ATOM 0 HG3 LYS A 93 7.744 0.452 -0.555 1.00 1.45 H new ATOM 0 HD2 LYS A 93 8.806 0.178 1.703 1.00 33.04 H new ATOM 0 HD3 LYS A 93 9.527 -1.329 1.175 1.00 33.04 H new ATOM 0 HE2 LYS A 93 10.765 -0.085 -0.631 1.00 4.21 H new ATOM 0 HE3 LYS A 93 10.070 1.418 -0.056 1.00 4.21 H new ATOM 0 HZ1 LYS A 93 12.275 1.077 0.831 1.00 4.20 H new ATOM 0 HZ2 LYS A 93 11.134 1.058 2.087 1.00 4.20 H new ATOM 0 HZ3 LYS A 93 11.807 -0.397 1.530 1.00 4.20 H new ATOM 1559 N LEU A 94 4.981 -3.933 0.723 1.00 11.44 N ATOM 1560 CA LEU A 94 3.788 -4.661 1.246 1.00 43.35 C ATOM 1561 C LEU A 94 4.185 -5.998 1.936 1.00 33.02 C ATOM 1562 O LEU A 94 3.480 -6.469 2.846 1.00 63.33 O ATOM 1563 CB LEU A 94 2.732 -4.895 0.124 1.00 63.41 C ATOM 1564 CG LEU A 94 1.765 -3.706 -0.215 1.00 54.42 C ATOM 1565 CD1 LEU A 94 0.935 -3.289 1.017 1.00 41.10 C ATOM 1566 CD2 LEU A 94 2.516 -2.502 -0.821 1.00 65.33 C ATOM 0 H LEU A 94 5.056 -3.940 -0.294 1.00 11.44 H new ATOM 0 HA LEU A 94 3.331 -4.028 2.007 1.00 43.35 H new ATOM 0 HB2 LEU A 94 3.264 -5.168 -0.788 1.00 63.41 H new ATOM 0 HB3 LEU A 94 2.124 -5.754 0.407 1.00 63.41 H new ATOM 0 HG LEU A 94 1.073 -4.065 -0.977 1.00 54.42 H new ATOM 0 HD11 LEU A 94 0.276 -2.464 0.749 1.00 41.10 H new ATOM 0 HD12 LEU A 94 0.338 -4.135 1.357 1.00 41.10 H new ATOM 0 HD13 LEU A 94 1.605 -2.973 1.817 1.00 41.10 H new ATOM 0 HD21 LEU A 94 1.807 -1.704 -1.040 1.00 65.33 H new ATOM 0 HD22 LEU A 94 3.260 -2.142 -0.110 1.00 65.33 H new ATOM 0 HD23 LEU A 94 3.012 -2.809 -1.742 1.00 65.33 H new ATOM 1578 N ASP A 95 5.316 -6.598 1.498 1.00 41.40 N ATOM 1579 CA ASP A 95 5.967 -7.722 2.219 1.00 34.02 C ATOM 1580 C ASP A 95 6.409 -7.258 3.628 1.00 14.32 C ATOM 1581 O ASP A 95 6.203 -7.954 4.635 1.00 73.53 O ATOM 1582 CB ASP A 95 7.207 -8.233 1.430 1.00 13.33 C ATOM 1583 CG ASP A 95 6.849 -9.031 0.166 1.00 53.52 C ATOM 1584 OD1 ASP A 95 6.027 -9.970 0.260 1.00 51.41 O ATOM 1585 OD2 ASP A 95 7.381 -8.730 -0.922 1.00 1.10 O ATOM 0 H ASP A 95 5.801 -6.322 0.644 1.00 41.40 H new ATOM 0 HA ASP A 95 5.247 -8.535 2.311 1.00 34.02 H new ATOM 0 HB2 ASP A 95 7.824 -7.380 1.148 1.00 13.33 H new ATOM 0 HB3 ASP A 95 7.811 -8.860 2.086 1.00 13.33 H new ATOM 1590 N MET A 96 7.002 -6.051 3.662 1.00 22.32 N ATOM 1591 CA MET A 96 7.464 -5.390 4.893 1.00 72.33 C ATOM 1592 C MET A 96 6.291 -5.034 5.844 1.00 1.34 C ATOM 1593 O MET A 96 6.455 -5.108 7.065 1.00 32.30 O ATOM 1594 CB MET A 96 8.301 -4.122 4.539 1.00 71.14 C ATOM 1595 CG MET A 96 8.534 -3.151 5.714 1.00 13.40 C ATOM 1596 SD MET A 96 9.618 -1.767 5.311 1.00 0.45 S ATOM 1597 CE MET A 96 9.724 -0.940 6.900 1.00 55.04 C ATOM 0 H MET A 96 7.176 -5.500 2.821 1.00 22.32 H new ATOM 0 HA MET A 96 8.099 -6.096 5.429 1.00 72.33 H new ATOM 0 HB2 MET A 96 9.269 -4.440 4.151 1.00 71.14 H new ATOM 0 HB3 MET A 96 7.797 -3.584 3.736 1.00 71.14 H new ATOM 0 HG2 MET A 96 7.572 -2.762 6.048 1.00 13.40 H new ATOM 0 HG3 MET A 96 8.962 -3.704 6.551 1.00 13.40 H new ATOM 0 HE1 MET A 96 10.195 0.035 6.772 1.00 55.04 H new ATOM 0 HE2 MET A 96 8.722 -0.808 7.309 1.00 55.04 H new ATOM 0 HE3 MET A 96 10.319 -1.544 7.585 1.00 55.04 H new ATOM 1607 N VAL A 97 5.115 -4.652 5.283 1.00 43.34 N ATOM 1608 CA VAL A 97 3.907 -4.358 6.101 1.00 61.55 C ATOM 1609 C VAL A 97 3.488 -5.621 6.895 1.00 42.13 C ATOM 1610 O VAL A 97 3.265 -5.557 8.102 1.00 44.14 O ATOM 1611 CB VAL A 97 2.685 -3.845 5.241 1.00 24.10 C ATOM 1612 CG1 VAL A 97 1.491 -3.433 6.144 1.00 33.34 C ATOM 1613 CG2 VAL A 97 3.094 -2.679 4.307 1.00 54.45 C ATOM 0 H VAL A 97 4.977 -4.541 4.279 1.00 43.34 H new ATOM 0 HA VAL A 97 4.179 -3.552 6.782 1.00 61.55 H new ATOM 0 HB VAL A 97 2.363 -4.676 4.614 1.00 24.10 H new ATOM 0 HG11 VAL A 97 0.667 -3.085 5.521 1.00 33.34 H new ATOM 0 HG12 VAL A 97 1.165 -4.292 6.730 1.00 33.34 H new ATOM 0 HG13 VAL A 97 1.802 -2.632 6.815 1.00 33.34 H new ATOM 0 HG21 VAL A 97 2.228 -2.353 3.732 1.00 54.45 H new ATOM 0 HG22 VAL A 97 3.467 -1.847 4.905 1.00 54.45 H new ATOM 0 HG23 VAL A 97 3.876 -3.015 3.626 1.00 54.45 H new ATOM 1623 N THR A 98 3.454 -6.771 6.189 1.00 42.35 N ATOM 1624 CA THR A 98 3.176 -8.102 6.789 1.00 52.01 C ATOM 1625 C THR A 98 4.232 -8.477 7.875 1.00 33.04 C ATOM 1626 O THR A 98 3.889 -9.004 8.940 1.00 14.44 O ATOM 1627 CB THR A 98 3.130 -9.210 5.678 1.00 63.23 C ATOM 1628 OG1 THR A 98 2.162 -8.847 4.672 1.00 5.12 O ATOM 1629 CG2 THR A 98 2.771 -10.603 6.241 1.00 60.32 C ATOM 0 H THR A 98 3.619 -6.807 5.183 1.00 42.35 H new ATOM 0 HA THR A 98 2.202 -8.043 7.274 1.00 52.01 H new ATOM 0 HB THR A 98 4.130 -9.274 5.249 1.00 63.23 H new ATOM 0 HG1 THR A 98 2.521 -8.123 4.118 1.00 5.12 H new ATOM 0 HG21 THR A 98 2.754 -11.330 5.429 1.00 60.32 H new ATOM 0 HG22 THR A 98 3.516 -10.900 6.979 1.00 60.32 H new ATOM 0 HG23 THR A 98 1.789 -10.563 6.713 1.00 60.32 H new ATOM 1637 N ARG A 99 5.515 -8.176 7.596 1.00 51.22 N ATOM 1638 CA ARG A 99 6.627 -8.374 8.564 1.00 72.51 C ATOM 1639 C ARG A 99 6.508 -7.445 9.805 1.00 35.34 C ATOM 1640 O ARG A 99 6.924 -7.819 10.907 1.00 11.41 O ATOM 1641 CB ARG A 99 8.004 -8.180 7.856 1.00 40.02 C ATOM 1642 CG ARG A 99 8.533 -9.440 7.121 1.00 32.11 C ATOM 1643 CD ARG A 99 8.941 -10.554 8.113 1.00 24.24 C ATOM 1644 NE ARG A 99 9.447 -11.766 7.435 1.00 52.23 N ATOM 1645 CZ ARG A 99 10.445 -12.520 7.860 1.00 71.53 C ATOM 1646 NH1 ARG A 99 11.151 -12.188 8.897 1.00 11.41 N ATOM 1647 NH2 ARG A 99 10.734 -13.602 7.218 1.00 44.35 N ATOM 0 H ARG A 99 5.815 -7.791 6.701 1.00 51.22 H new ATOM 0 HA ARG A 99 6.557 -9.398 8.931 1.00 72.51 H new ATOM 0 HB2 ARG A 99 7.917 -7.365 7.137 1.00 40.02 H new ATOM 0 HB3 ARG A 99 8.740 -7.872 8.599 1.00 40.02 H new ATOM 0 HG2 ARG A 99 7.764 -9.817 6.447 1.00 32.11 H new ATOM 0 HG3 ARG A 99 9.391 -9.169 6.506 1.00 32.11 H new ATOM 0 HD2 ARG A 99 9.709 -10.172 8.786 1.00 24.24 H new ATOM 0 HD3 ARG A 99 8.081 -10.819 8.728 1.00 24.24 H new ATOM 0 HE ARG A 99 8.988 -12.043 6.567 1.00 52.23 H new ATOM 0 HH11 ARG A 99 10.940 -11.328 9.403 1.00 11.41 H new ATOM 0 HH12 ARG A 99 11.917 -12.787 9.206 1.00 11.41 H new ATOM 0 HH21 ARG A 99 10.194 -13.865 6.394 1.00 44.35 H new ATOM 0 HH22 ARG A 99 11.502 -14.193 7.535 1.00 44.35 H new ATOM 1661 N GLU A 100 5.942 -6.245 9.619 1.00 22.31 N ATOM 1662 CA GLU A 100 5.712 -5.285 10.723 1.00 1.14 C ATOM 1663 C GLU A 100 4.490 -5.727 11.576 1.00 1.12 C ATOM 1664 O GLU A 100 4.429 -5.470 12.786 1.00 64.00 O ATOM 1665 CB GLU A 100 5.528 -3.850 10.146 1.00 33.41 C ATOM 1666 CG GLU A 100 5.652 -2.703 11.180 1.00 55.21 C ATOM 1667 CD GLU A 100 7.026 -2.654 11.893 1.00 52.22 C ATOM 1668 OE1 GLU A 100 8.076 -2.628 11.198 1.00 62.33 O ATOM 1669 OE2 GLU A 100 7.071 -2.663 13.146 1.00 55.52 O ATOM 0 H GLU A 100 5.630 -5.908 8.708 1.00 22.31 H new ATOM 0 HA GLU A 100 6.581 -5.272 11.381 1.00 1.14 H new ATOM 0 HB2 GLU A 100 6.269 -3.693 9.362 1.00 33.41 H new ATOM 0 HB3 GLU A 100 4.547 -3.788 9.674 1.00 33.41 H new ATOM 0 HG2 GLU A 100 5.480 -1.752 10.677 1.00 55.21 H new ATOM 0 HG3 GLU A 100 4.868 -2.814 11.929 1.00 55.21 H new