USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 659 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 5:sc= 0.0658 USER MOD Single : A 17 THR OG1 : rot 82:sc= 1.14 USER MOD Single : A 18 TYR OH : rot -90:sc= 0.15 USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= -0.0712 (180deg=-0.403) USER MOD Single : A 29 LYS NZ :NH3+ 142:sc= 2.44 (180deg=1.72) USER MOD Single : A 31 LYS NZ :NH3+ 139:sc= 1.82 (180deg=1.13) USER MOD Single : A 33 TYR OH : rot -139:sc= 1.07 USER MOD Single : A 36 THR OG1 : rot -44:sc= 1.27 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= -0.0906 (180deg=-0.501) USER MOD Single : A 49 SER OG : rot -31:sc= 0.14 USER MOD Single : A 50 MET CE :methyl -121:sc= -0.987 (180deg=-1.42) USER MOD Single : A 52 LYS NZ :NH3+ 147:sc= -1.32 (180deg=-3.2!) USER MOD Single : A 58 MET CE :methyl -150:sc= -0.17 (180deg=-3.17) USER MOD Single : A 60 GLN : amide:sc= -1.75! K(o=-1.7!,f=-0.69) USER MOD Single : A 64 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 65 HIS : no HD1:sc= -0.0928 X(o=-0.093,f=0.0069) USER MOD Single : A 77 SER OG : rot -56:sc= 0.0952 USER MOD Single : A 78 THR OG1 : rot 101:sc= 1.17 USER MOD Single : A 83 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.055) USER MOD Single : A 85 LYS NZ :NH3+ -131:sc= 1.18 (180deg=0.383) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -3.762 -9.732 4.763 1.00 0.00 N ATOM 155 CA GLY A 11 -3.445 -8.359 4.531 1.00 0.00 C ATOM 156 C GLY A 11 -2.392 -8.252 3.468 1.00 0.00 C ATOM 157 O GLY A 11 -2.441 -7.371 2.618 1.00 0.00 O ATOM 0 HA2 GLY A 11 -4.340 -7.817 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.092 -7.897 5.453 1.00 0.00 H new ATOM 161 N LEU A 12 -1.472 -9.199 3.503 1.00 0.00 N ATOM 162 CA LEU A 12 -0.364 -9.307 2.568 1.00 0.00 C ATOM 163 C LEU A 12 -0.899 -9.551 1.165 1.00 0.00 C ATOM 164 O LEU A 12 -0.518 -8.865 0.233 1.00 0.00 O ATOM 165 CB LEU A 12 0.570 -10.465 3.029 1.00 0.00 C ATOM 166 CG LEU A 12 1.913 -10.717 2.283 1.00 0.00 C ATOM 167 CD1 LEU A 12 1.732 -11.314 0.889 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.715 -9.444 2.208 1.00 0.00 C ATOM 0 H LEU A 12 -1.475 -9.939 4.205 1.00 0.00 H new ATOM 0 HA LEU A 12 0.210 -8.381 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.808 -10.293 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.008 -11.388 2.980 1.00 0.00 H new ATOM 0 HG LEU A 12 2.455 -11.461 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.708 -11.463 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.218 -12.272 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.141 -10.634 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.652 -9.634 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.146 -8.686 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.929 -9.089 3.216 1.00 0.00 H new ATOM 180 N CYS A 13 -1.803 -10.511 1.039 1.00 0.00 N ATOM 181 CA CYS A 13 -2.378 -10.868 -0.251 1.00 0.00 C ATOM 182 C CYS A 13 -3.172 -9.676 -0.824 1.00 0.00 C ATOM 183 O CYS A 13 -3.104 -9.380 -2.012 1.00 0.00 O ATOM 184 CB CYS A 13 -3.247 -12.133 -0.104 1.00 0.00 C ATOM 185 SG CYS A 13 -3.989 -12.754 -1.627 1.00 0.00 S ATOM 0 H CYS A 13 -2.157 -11.061 1.821 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.583 -11.098 -0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.634 -12.924 0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.045 -11.922 0.608 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.690 -13.817 -1.366 1.00 0.00 H new ATOM 191 N ARG A 14 -3.885 -8.979 0.042 1.00 0.00 N ATOM 192 CA ARG A 14 -4.618 -7.764 -0.329 1.00 0.00 C ATOM 193 C ARG A 14 -3.623 -6.697 -0.831 1.00 0.00 C ATOM 194 O ARG A 14 -3.833 -6.048 -1.857 1.00 0.00 O ATOM 195 CB ARG A 14 -5.356 -7.257 0.913 1.00 0.00 C ATOM 196 CG ARG A 14 -6.118 -5.952 0.752 1.00 0.00 C ATOM 197 CD ARG A 14 -6.694 -5.518 2.096 1.00 0.00 C ATOM 198 NE ARG A 14 -5.628 -5.364 3.109 1.00 0.00 N ATOM 199 CZ ARG A 14 -5.769 -5.545 4.441 1.00 0.00 C ATOM 200 NH1 ARG A 14 -6.950 -5.871 4.963 1.00 0.00 N ATOM 201 NH2 ARG A 14 -4.712 -5.387 5.240 1.00 0.00 N ATOM 0 H ARG A 14 -3.978 -9.233 1.026 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.332 -7.973 -1.125 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.058 -8.027 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.630 -7.134 1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.455 -5.179 0.364 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.921 -6.077 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.227 -4.575 1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.421 -6.255 2.438 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.703 -5.097 2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.761 -5.987 4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.043 -6.005 5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -3.807 -5.132 4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.809 -5.521 6.246 1.00 0.00 H new ATOM 215 N LEU A 15 -2.531 -6.585 -0.111 1.00 0.00 N ATOM 216 CA LEU A 15 -1.465 -5.647 -0.375 1.00 0.00 C ATOM 217 C LEU A 15 -0.795 -5.921 -1.730 1.00 0.00 C ATOM 218 O LEU A 15 -0.725 -5.032 -2.590 1.00 0.00 O ATOM 219 CB LEU A 15 -0.453 -5.760 0.772 1.00 0.00 C ATOM 220 CG LEU A 15 0.809 -4.924 0.700 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.470 -3.470 0.641 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.674 -5.203 1.906 1.00 0.00 C ATOM 0 H LEU A 15 -2.354 -7.168 0.707 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.867 -4.635 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.969 -5.504 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.155 -6.806 0.851 1.00 0.00 H new ATOM 0 HG LEU A 15 1.355 -5.190 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.388 -2.884 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.136 -3.273 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.089 -3.190 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.580 -4.600 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.125 -4.951 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.941 -6.259 1.925 1.00 0.00 H new ATOM 234 N SER A 16 -0.353 -7.150 -1.926 1.00 0.00 N ATOM 235 CA SER A 16 0.349 -7.535 -3.123 1.00 0.00 C ATOM 236 C SER A 16 -0.514 -7.373 -4.370 1.00 0.00 C ATOM 237 O SER A 16 -0.024 -6.928 -5.406 1.00 0.00 O ATOM 238 CB SER A 16 0.888 -8.960 -2.980 1.00 0.00 C ATOM 239 OG SER A 16 -0.137 -9.862 -2.580 1.00 0.00 O ATOM 0 H SER A 16 -0.474 -7.907 -1.253 1.00 0.00 H new ATOM 0 HA SER A 16 1.196 -6.861 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.314 -9.287 -3.929 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.695 -8.974 -2.247 1.00 0.00 H new ATOM 0 HG SER A 16 -0.997 -9.392 -2.561 1.00 0.00 H new ATOM 245 N THR A 17 -1.805 -7.672 -4.239 1.00 0.00 N ATOM 246 CA THR A 17 -2.739 -7.564 -5.341 1.00 0.00 C ATOM 247 C THR A 17 -2.766 -6.129 -5.922 1.00 0.00 C ATOM 248 O THR A 17 -2.684 -5.948 -7.141 1.00 0.00 O ATOM 249 CB THR A 17 -4.165 -8.017 -4.916 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.112 -9.364 -4.400 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.116 -7.995 -6.095 1.00 0.00 C ATOM 0 H THR A 17 -2.225 -7.994 -3.367 1.00 0.00 H new ATOM 0 HA THR A 17 -2.393 -8.234 -6.128 1.00 0.00 H new ATOM 0 HB THR A 17 -4.523 -7.327 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.818 -9.345 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.106 -8.316 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.176 -6.983 -6.495 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.751 -8.670 -6.869 1.00 0.00 H new ATOM 259 N TYR A 18 -2.811 -5.119 -5.058 1.00 0.00 N ATOM 260 CA TYR A 18 -2.830 -3.736 -5.527 1.00 0.00 C ATOM 261 C TYR A 18 -1.467 -3.265 -5.981 1.00 0.00 C ATOM 262 O TYR A 18 -1.356 -2.407 -6.850 1.00 0.00 O ATOM 263 CB TYR A 18 -3.447 -2.782 -4.509 1.00 0.00 C ATOM 264 CG TYR A 18 -4.938 -2.947 -4.394 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.776 -2.420 -5.364 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.507 -3.635 -3.338 1.00 0.00 C ATOM 267 CE1 TYR A 18 -7.137 -2.576 -5.287 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.873 -3.790 -3.249 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.684 -3.261 -4.229 1.00 0.00 C ATOM 270 OH TYR A 18 -9.049 -3.431 -4.160 1.00 0.00 O ATOM 0 H TYR A 18 -2.835 -5.228 -4.044 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.479 -3.723 -6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.990 -2.951 -3.534 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.219 -1.755 -4.794 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.350 -1.877 -6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.872 -4.056 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.775 -2.162 -6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.306 -4.323 -2.416 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.448 -2.682 -3.669 1.00 0.00 H new ATOM 280 N LEU A 19 -0.433 -3.845 -5.429 1.00 0.00 N ATOM 281 CA LEU A 19 0.912 -3.513 -5.844 1.00 0.00 C ATOM 282 C LEU A 19 1.214 -4.084 -7.236 1.00 0.00 C ATOM 283 O LEU A 19 2.014 -3.529 -7.977 1.00 0.00 O ATOM 284 CB LEU A 19 1.939 -3.946 -4.793 1.00 0.00 C ATOM 285 CG LEU A 19 1.941 -3.128 -3.484 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.854 -3.764 -2.462 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.395 -1.703 -3.761 1.00 0.00 C ATOM 0 H LEU A 19 -0.492 -4.548 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 19 0.989 -2.429 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.760 -4.992 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.933 -3.889 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 19 0.926 -3.112 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.842 -3.173 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.510 -4.775 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.870 -3.803 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.393 -1.133 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.403 -1.716 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.715 -1.237 -4.474 1.00 0.00 H new ATOM 299 N GLU A 20 0.526 -5.176 -7.607 1.00 0.00 N ATOM 300 CA GLU A 20 0.665 -5.758 -8.957 1.00 0.00 C ATOM 301 C GLU A 20 -0.054 -4.896 -9.989 1.00 0.00 C ATOM 302 O GLU A 20 0.113 -5.070 -11.200 1.00 0.00 O ATOM 303 CB GLU A 20 0.108 -7.186 -9.025 1.00 0.00 C ATOM 304 CG GLU A 20 0.852 -8.204 -8.188 1.00 0.00 C ATOM 305 CD GLU A 20 0.267 -9.582 -8.323 1.00 0.00 C ATOM 306 OE1 GLU A 20 -0.679 -9.907 -7.604 1.00 0.00 O ATOM 307 OE2 GLU A 20 0.747 -10.377 -9.160 1.00 0.00 O ATOM 0 H GLU A 20 -0.127 -5.672 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 20 1.732 -5.791 -9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.934 -7.169 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.119 -7.515 -10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.900 -8.224 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.827 -7.901 -7.141 1.00 0.00 H new ATOM 314 N GLU A 21 -0.862 -3.981 -9.505 1.00 0.00 N ATOM 315 CA GLU A 21 -1.620 -3.085 -10.353 1.00 0.00 C ATOM 316 C GLU A 21 -0.782 -1.853 -10.692 1.00 0.00 C ATOM 317 O GLU A 21 -1.129 -1.070 -11.593 1.00 0.00 O ATOM 318 CB GLU A 21 -2.899 -2.657 -9.640 1.00 0.00 C ATOM 319 CG GLU A 21 -3.846 -3.790 -9.293 1.00 0.00 C ATOM 320 CD GLU A 21 -4.439 -4.440 -10.507 1.00 0.00 C ATOM 321 OE1 GLU A 21 -5.423 -3.911 -11.040 1.00 0.00 O ATOM 322 OE2 GLU A 21 -3.931 -5.483 -10.956 1.00 0.00 O ATOM 0 H GLU A 21 -1.014 -3.835 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.879 -3.604 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.629 -2.135 -8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.427 -1.941 -10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.311 -4.539 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.648 -3.407 -8.662 1.00 0.00 H new ATOM 329 N LEU A 22 0.318 -1.691 -9.987 1.00 0.00 N ATOM 330 CA LEU A 22 1.189 -0.559 -10.189 1.00 0.00 C ATOM 331 C LEU A 22 2.189 -0.825 -11.291 1.00 0.00 C ATOM 332 O LEU A 22 2.576 -1.968 -11.541 1.00 0.00 O ATOM 333 CB LEU A 22 1.944 -0.178 -8.907 1.00 0.00 C ATOM 334 CG LEU A 22 1.128 0.352 -7.732 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.062 0.711 -6.600 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.312 1.566 -8.138 1.00 0.00 C ATOM 0 H LEU A 22 0.630 -2.338 -9.263 1.00 0.00 H new ATOM 0 HA LEU A 22 0.547 0.274 -10.476 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.490 -1.058 -8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.686 0.577 -9.167 1.00 0.00 H new ATOM 0 HG LEU A 22 0.435 -0.424 -7.407 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.484 1.090 -5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.616 -0.175 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.761 1.477 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.260 1.923 -7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.980 2.355 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.371 1.293 -8.942 1.00 0.00 H new ATOM 348 N GLU A 23 2.596 0.236 -11.940 1.00 0.00 N ATOM 349 CA GLU A 23 3.608 0.184 -12.970 1.00 0.00 C ATOM 350 C GLU A 23 4.961 0.172 -12.290 1.00 0.00 C ATOM 351 O GLU A 23 5.050 0.426 -11.082 1.00 0.00 O ATOM 352 CB GLU A 23 3.545 1.445 -13.827 1.00 0.00 C ATOM 353 CG GLU A 23 2.186 1.795 -14.383 1.00 0.00 C ATOM 354 CD GLU A 23 1.671 0.769 -15.338 1.00 0.00 C ATOM 355 OE1 GLU A 23 2.175 0.721 -16.490 1.00 0.00 O ATOM 356 OE2 GLU A 23 0.743 0.035 -14.984 1.00 0.00 O ATOM 0 H GLU A 23 2.231 1.173 -11.768 1.00 0.00 H new ATOM 0 HA GLU A 23 3.451 -0.699 -13.590 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.900 2.285 -13.230 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.239 1.330 -14.660 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.479 1.907 -13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.242 2.759 -14.888 1.00 0.00 H new ATOM 363 N ALA A 24 6.005 -0.054 -13.056 1.00 0.00 N ATOM 364 CA ALA A 24 7.357 -0.030 -12.530 1.00 0.00 C ATOM 365 C ALA A 24 7.676 1.350 -11.978 1.00 0.00 C ATOM 366 O ALA A 24 8.202 1.467 -10.886 1.00 0.00 O ATOM 367 CB ALA A 24 8.362 -0.427 -13.592 1.00 0.00 C ATOM 0 H ALA A 24 5.945 -0.258 -14.054 1.00 0.00 H new ATOM 0 HA ALA A 24 7.425 -0.757 -11.721 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.367 -0.400 -13.170 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.142 -1.436 -13.942 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.301 0.269 -14.429 1.00 0.00 H new ATOM 373 N VAL A 25 7.294 2.392 -12.725 1.00 0.00 N ATOM 374 CA VAL A 25 7.497 3.779 -12.289 1.00 0.00 C ATOM 375 C VAL A 25 6.738 4.058 -10.976 1.00 0.00 C ATOM 376 O VAL A 25 7.238 4.735 -10.086 1.00 0.00 O ATOM 377 CB VAL A 25 7.071 4.811 -13.395 1.00 0.00 C ATOM 378 CG1 VAL A 25 5.604 4.681 -13.742 1.00 0.00 C ATOM 379 CG2 VAL A 25 7.362 6.231 -12.956 1.00 0.00 C ATOM 0 H VAL A 25 6.842 2.301 -13.635 1.00 0.00 H new ATOM 0 HA VAL A 25 8.565 3.906 -12.112 1.00 0.00 H new ATOM 0 HB VAL A 25 7.660 4.584 -14.284 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.346 5.410 -14.510 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.406 3.676 -14.115 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.002 4.863 -12.852 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.057 6.924 -13.740 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.808 6.450 -12.043 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.430 6.342 -12.768 1.00 0.00 H new ATOM 389 N GLU A 26 5.561 3.475 -10.854 1.00 0.00 N ATOM 390 CA GLU A 26 4.718 3.659 -9.696 1.00 0.00 C ATOM 391 C GLU A 26 5.370 3.010 -8.493 1.00 0.00 C ATOM 392 O GLU A 26 5.522 3.635 -7.454 1.00 0.00 O ATOM 393 CB GLU A 26 3.357 3.046 -9.955 1.00 0.00 C ATOM 394 CG GLU A 26 2.601 3.652 -11.127 1.00 0.00 C ATOM 395 CD GLU A 26 2.118 5.047 -10.875 1.00 0.00 C ATOM 396 OE1 GLU A 26 1.060 5.205 -10.280 1.00 0.00 O ATOM 397 OE2 GLU A 26 2.773 6.001 -11.309 1.00 0.00 O ATOM 0 H GLU A 26 5.163 2.857 -11.562 1.00 0.00 H new ATOM 0 HA GLU A 26 4.590 4.723 -9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.482 1.978 -10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.750 3.149 -9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.249 3.654 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.746 3.018 -11.363 1.00 0.00 H new ATOM 404 N LEU A 27 5.803 1.770 -8.675 1.00 0.00 N ATOM 405 CA LEU A 27 6.497 1.009 -7.636 1.00 0.00 C ATOM 406 C LEU A 27 7.786 1.724 -7.233 1.00 0.00 C ATOM 407 O LEU A 27 8.119 1.825 -6.054 1.00 0.00 O ATOM 408 CB LEU A 27 6.809 -0.406 -8.148 1.00 0.00 C ATOM 409 CG LEU A 27 5.601 -1.302 -8.456 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.045 -2.553 -9.201 1.00 0.00 C ATOM 411 CD2 LEU A 27 4.892 -1.694 -7.170 1.00 0.00 C ATOM 0 H LEU A 27 5.684 1.258 -9.549 1.00 0.00 H new ATOM 0 HA LEU A 27 5.854 0.933 -6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.408 -0.317 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.427 -0.910 -7.405 1.00 0.00 H new ATOM 0 HG LEU A 27 4.910 -0.742 -9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.177 -3.178 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.523 -2.268 -10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.753 -3.110 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.038 -2.329 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.582 -2.238 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.547 -0.797 -6.657 1.00 0.00 H new ATOM 423 N LYS A 28 8.471 2.244 -8.231 1.00 0.00 N ATOM 424 CA LYS A 28 9.707 2.990 -8.071 1.00 0.00 C ATOM 425 C LYS A 28 9.467 4.220 -7.176 1.00 0.00 C ATOM 426 O LYS A 28 10.246 4.491 -6.264 1.00 0.00 O ATOM 427 CB LYS A 28 10.230 3.360 -9.492 1.00 0.00 C ATOM 428 CG LYS A 28 11.595 4.042 -9.615 1.00 0.00 C ATOM 429 CD LYS A 28 11.565 5.506 -9.221 1.00 0.00 C ATOM 430 CE LYS A 28 12.892 6.173 -9.518 1.00 0.00 C ATOM 431 NZ LYS A 28 13.173 6.223 -10.967 1.00 0.00 N ATOM 0 H LYS A 28 8.177 2.158 -9.204 1.00 0.00 H new ATOM 0 HA LYS A 28 10.471 2.395 -7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.263 2.444 -10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.491 4.012 -9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.315 3.517 -8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.947 3.956 -10.643 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.768 6.016 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.338 5.596 -8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.887 7.185 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.691 5.632 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.897 6.945 -11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.518 5.295 -11.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.302 6.464 -11.481 1.00 0.00 H new ATOM 445 N LYS A 29 8.372 4.922 -7.417 1.00 0.00 N ATOM 446 CA LYS A 29 8.027 6.105 -6.627 1.00 0.00 C ATOM 447 C LYS A 29 7.616 5.693 -5.225 1.00 0.00 C ATOM 448 O LYS A 29 8.084 6.244 -4.230 1.00 0.00 O ATOM 449 CB LYS A 29 6.868 6.864 -7.267 1.00 0.00 C ATOM 450 CG LYS A 29 7.169 7.460 -8.645 1.00 0.00 C ATOM 451 CD LYS A 29 5.996 8.280 -9.185 1.00 0.00 C ATOM 452 CE LYS A 29 4.803 7.401 -9.511 1.00 0.00 C ATOM 453 NZ LYS A 29 3.649 8.164 -10.043 1.00 0.00 N ATOM 0 H LYS A 29 7.703 4.697 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 29 8.906 6.749 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.017 6.189 -7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.566 7.669 -6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.054 8.093 -8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.402 6.657 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.706 9.030 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.308 8.817 -10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.102 6.649 -10.241 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.495 6.868 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.183 7.612 -10.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.971 8.348 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.982 9.068 -10.436 1.00 0.00 H new ATOM 467 N PHE A 30 6.750 4.710 -5.177 1.00 0.00 N ATOM 468 CA PHE A 30 6.205 4.168 -3.951 1.00 0.00 C ATOM 469 C PHE A 30 7.298 3.717 -2.969 1.00 0.00 C ATOM 470 O PHE A 30 7.276 4.106 -1.796 1.00 0.00 O ATOM 471 CB PHE A 30 5.179 3.055 -4.310 1.00 0.00 C ATOM 472 CG PHE A 30 5.136 1.852 -3.418 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.440 1.852 -2.225 1.00 0.00 C ATOM 474 CD2 PHE A 30 5.792 0.706 -3.804 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.412 0.721 -1.432 1.00 0.00 C ATOM 476 CE2 PHE A 30 5.769 -0.422 -3.019 1.00 0.00 C ATOM 477 CZ PHE A 30 5.080 -0.415 -1.830 1.00 0.00 C ATOM 0 H PHE A 30 6.393 4.250 -6.014 1.00 0.00 H new ATOM 0 HA PHE A 30 5.676 4.952 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.185 3.502 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.389 2.716 -5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.915 2.741 -1.910 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.333 0.692 -4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.866 0.728 -0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.292 -1.312 -3.336 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.063 -1.299 -1.209 1.00 0.00 H new ATOM 487 N LYS A 31 8.275 2.970 -3.454 1.00 0.00 N ATOM 488 CA LYS A 31 9.328 2.462 -2.582 1.00 0.00 C ATOM 489 C LYS A 31 10.243 3.558 -2.087 1.00 0.00 C ATOM 490 O LYS A 31 10.697 3.503 -0.959 1.00 0.00 O ATOM 491 CB LYS A 31 10.135 1.320 -3.222 1.00 0.00 C ATOM 492 CG LYS A 31 10.951 1.713 -4.452 1.00 0.00 C ATOM 493 CD LYS A 31 11.849 0.575 -4.892 1.00 0.00 C ATOM 494 CE LYS A 31 12.679 0.942 -6.106 1.00 0.00 C ATOM 495 NZ LYS A 31 13.605 -0.145 -6.480 1.00 0.00 N ATOM 0 H LYS A 31 8.364 2.703 -4.434 1.00 0.00 H new ATOM 0 HA LYS A 31 8.813 2.045 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.812 0.910 -2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.447 0.522 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.280 1.987 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.555 2.592 -4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.510 0.297 -4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.240 -0.300 -5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.019 1.164 -6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.247 1.849 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.624 -0.244 -7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.560 0.079 -6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.284 -1.037 -6.053 1.00 0.00 H new ATOM 509 N LEU A 32 10.504 4.565 -2.889 1.00 0.00 N ATOM 510 CA LEU A 32 11.377 5.607 -2.416 1.00 0.00 C ATOM 511 C LEU A 32 10.646 6.495 -1.446 1.00 0.00 C ATOM 512 O LEU A 32 11.220 6.966 -0.479 1.00 0.00 O ATOM 513 CB LEU A 32 12.045 6.398 -3.567 1.00 0.00 C ATOM 514 CG LEU A 32 11.169 7.269 -4.498 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.808 8.618 -3.872 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.881 7.475 -5.795 1.00 0.00 C ATOM 0 H LEU A 32 10.140 4.682 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 32 12.202 5.136 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.798 7.049 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.574 5.680 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 32 10.231 6.739 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.193 9.189 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.254 8.454 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.720 9.174 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.267 8.089 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.831 7.977 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.066 6.510 -6.266 1.00 0.00 H new ATOM 528 N TYR A 33 9.360 6.674 -1.676 1.00 0.00 N ATOM 529 CA TYR A 33 8.575 7.527 -0.842 1.00 0.00 C ATOM 530 C TYR A 33 8.531 7.016 0.584 1.00 0.00 C ATOM 531 O TYR A 33 8.706 7.780 1.510 1.00 0.00 O ATOM 532 CB TYR A 33 7.158 7.726 -1.385 1.00 0.00 C ATOM 533 CG TYR A 33 6.372 8.691 -0.543 1.00 0.00 C ATOM 534 CD1 TYR A 33 6.447 10.046 -0.781 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.605 8.249 0.527 1.00 0.00 C ATOM 536 CE1 TYR A 33 5.776 10.938 0.013 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.943 9.125 1.332 1.00 0.00 C ATOM 538 CZ TYR A 33 5.028 10.476 1.073 1.00 0.00 C ATOM 539 OH TYR A 33 4.373 11.369 1.881 1.00 0.00 O ATOM 0 H TYR A 33 8.846 6.233 -2.439 1.00 0.00 H new ATOM 0 HA TYR A 33 9.065 8.500 -0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.209 8.095 -2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.642 6.766 -1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.043 10.410 -1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.532 7.190 0.724 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.833 11.997 -0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.357 8.765 2.165 1.00 0.00 H new ATOM 0 HH TYR A 33 4.451 11.083 2.815 1.00 0.00 H new ATOM 549 N LEU A 34 8.306 5.746 0.755 1.00 0.00 N ATOM 550 CA LEU A 34 8.219 5.203 2.090 1.00 0.00 C ATOM 551 C LEU A 34 9.516 4.588 2.592 1.00 0.00 C ATOM 552 O LEU A 34 9.798 4.603 3.791 1.00 0.00 O ATOM 553 CB LEU A 34 7.017 4.258 2.228 1.00 0.00 C ATOM 554 CG LEU A 34 6.786 3.198 1.142 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.853 2.116 1.130 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.414 2.608 1.302 1.00 0.00 C ATOM 0 H LEU A 34 8.180 5.070 0.002 1.00 0.00 H new ATOM 0 HA LEU A 34 8.048 6.050 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.112 3.739 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.118 4.872 2.287 1.00 0.00 H new ATOM 0 HG LEU A 34 6.859 3.695 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.633 1.397 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.828 2.568 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.864 1.605 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.249 1.855 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.329 2.145 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.666 3.395 1.206 1.00 0.00 H new ATOM 568 N GLY A 35 10.322 4.097 1.692 1.00 0.00 N ATOM 569 CA GLY A 35 11.519 3.420 2.092 1.00 0.00 C ATOM 570 C GLY A 35 12.581 4.360 2.591 1.00 0.00 C ATOM 571 O GLY A 35 13.235 4.083 3.597 1.00 0.00 O ATOM 0 H GLY A 35 10.172 4.153 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.280 2.701 2.875 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.910 2.853 1.247 1.00 0.00 H new ATOM 575 N THR A 36 12.749 5.478 1.922 1.00 0.00 N ATOM 576 CA THR A 36 13.782 6.433 2.332 1.00 0.00 C ATOM 577 C THR A 36 13.171 7.557 3.200 1.00 0.00 C ATOM 578 O THR A 36 13.862 8.507 3.596 1.00 0.00 O ATOM 579 CB THR A 36 14.514 7.060 1.093 1.00 0.00 C ATOM 580 OG1 THR A 36 13.623 7.890 0.355 1.00 0.00 O ATOM 581 CG2 THR A 36 15.031 5.979 0.153 1.00 0.00 C ATOM 0 H THR A 36 12.202 5.755 1.107 1.00 0.00 H new ATOM 0 HA THR A 36 14.516 5.883 2.920 1.00 0.00 H new ATOM 0 HB THR A 36 15.350 7.645 1.477 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.757 7.441 0.264 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.533 6.444 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 36 15.735 5.340 0.686 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.195 5.378 -0.205 1.00 0.00 H new ATOM 589 N ALA A 37 11.897 7.395 3.531 1.00 0.00 N ATOM 590 CA ALA A 37 11.097 8.412 4.213 1.00 0.00 C ATOM 591 C ALA A 37 11.597 8.819 5.586 1.00 0.00 C ATOM 592 O ALA A 37 11.567 8.030 6.549 1.00 0.00 O ATOM 593 CB ALA A 37 9.670 7.964 4.331 1.00 0.00 C ATOM 0 H ALA A 37 11.379 6.540 3.331 1.00 0.00 H new ATOM 0 HA ALA A 37 11.188 9.296 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.088 8.732 4.841 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.258 7.797 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.626 7.037 4.902 1.00 0.00 H new ATOM 599 N THR A 38 11.985 10.070 5.686 1.00 0.00 N ATOM 600 CA THR A 38 12.356 10.667 6.933 1.00 0.00 C ATOM 601 C THR A 38 11.082 10.852 7.767 1.00 0.00 C ATOM 602 O THR A 38 11.087 10.693 8.990 1.00 0.00 O ATOM 603 CB THR A 38 13.056 12.034 6.692 1.00 0.00 C ATOM 604 OG1 THR A 38 14.172 11.850 5.797 1.00 0.00 O ATOM 605 CG2 THR A 38 13.552 12.641 8.000 1.00 0.00 C ATOM 0 H THR A 38 12.050 10.703 4.889 1.00 0.00 H new ATOM 0 HA THR A 38 13.060 10.026 7.464 1.00 0.00 H new ATOM 0 HB THR A 38 12.329 12.717 6.252 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.613 12.711 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.037 13.596 7.797 1.00 0.00 H new ATOM 0 HG22 THR A 38 12.708 12.798 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.267 11.964 8.468 1.00 0.00 H new ATOM 613 N GLU A 39 9.978 11.086 7.065 1.00 0.00 N ATOM 614 CA GLU A 39 8.659 11.292 7.683 1.00 0.00 C ATOM 615 C GLU A 39 8.175 10.052 8.451 1.00 0.00 C ATOM 616 O GLU A 39 7.400 10.161 9.393 1.00 0.00 O ATOM 617 CB GLU A 39 7.604 11.751 6.645 1.00 0.00 C ATOM 618 CG GLU A 39 7.392 10.801 5.465 1.00 0.00 C ATOM 619 CD GLU A 39 6.341 11.308 4.492 1.00 0.00 C ATOM 620 OE1 GLU A 39 6.620 12.263 3.758 1.00 0.00 O ATOM 621 OE2 GLU A 39 5.228 10.747 4.431 1.00 0.00 O ATOM 0 H GLU A 39 9.966 11.140 6.046 1.00 0.00 H new ATOM 0 HA GLU A 39 8.781 12.094 8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.651 11.888 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.900 12.726 6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.336 10.666 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.093 9.822 5.840 1.00 0.00 H new ATOM 628 N LEU A 40 8.664 8.883 8.070 1.00 0.00 N ATOM 629 CA LEU A 40 8.270 7.649 8.745 1.00 0.00 C ATOM 630 C LEU A 40 9.182 7.352 9.915 1.00 0.00 C ATOM 631 O LEU A 40 8.879 6.505 10.758 1.00 0.00 O ATOM 632 CB LEU A 40 8.300 6.472 7.792 1.00 0.00 C ATOM 633 CG LEU A 40 7.334 6.507 6.613 1.00 0.00 C ATOM 634 CD1 LEU A 40 7.472 5.245 5.807 1.00 0.00 C ATOM 635 CD2 LEU A 40 5.894 6.684 7.073 1.00 0.00 C ATOM 0 H LEU A 40 9.328 8.759 7.306 1.00 0.00 H new ATOM 0 HA LEU A 40 7.253 7.796 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.312 6.382 7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.100 5.567 8.366 1.00 0.00 H new ATOM 0 HG LEU A 40 7.588 7.366 5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.780 5.273 4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.493 5.161 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.243 4.385 6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.235 6.704 6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.615 5.854 7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.800 7.621 7.622 1.00 0.00 H new ATOM 647 N GLY A 41 10.287 8.032 9.953 1.00 0.00 N ATOM 648 CA GLY A 41 11.253 7.820 10.992 1.00 0.00 C ATOM 649 C GLY A 41 12.464 7.094 10.468 1.00 0.00 C ATOM 650 O GLY A 41 12.570 5.875 10.620 1.00 0.00 O ATOM 0 H GLY A 41 10.545 8.745 9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.554 8.779 11.413 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.802 7.244 11.800 1.00 0.00 H new ATOM 654 N GLU A 42 13.330 7.844 9.777 1.00 0.00 N ATOM 655 CA GLU A 42 14.619 7.367 9.217 1.00 0.00 C ATOM 656 C GLU A 42 14.496 6.329 8.086 1.00 0.00 C ATOM 657 O GLU A 42 15.505 5.914 7.510 1.00 0.00 O ATOM 658 CB GLU A 42 15.545 6.859 10.326 1.00 0.00 C ATOM 659 CG GLU A 42 15.921 7.923 11.343 1.00 0.00 C ATOM 660 CD GLU A 42 16.629 9.100 10.718 1.00 0.00 C ATOM 661 OE1 GLU A 42 15.952 10.007 10.179 1.00 0.00 O ATOM 662 OE2 GLU A 42 17.881 9.140 10.742 1.00 0.00 O ATOM 0 H GLU A 42 13.157 8.830 9.581 1.00 0.00 H new ATOM 0 HA GLU A 42 15.060 8.245 8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 42 15.059 6.031 10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 42 16.455 6.463 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.020 8.272 11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.563 7.481 12.105 1.00 0.00 H new ATOM 669 N GLY A 43 13.288 5.933 7.755 1.00 0.00 N ATOM 670 CA GLY A 43 13.100 4.932 6.742 1.00 0.00 C ATOM 671 C GLY A 43 13.209 3.553 7.343 1.00 0.00 C ATOM 672 O GLY A 43 14.281 3.137 7.777 1.00 0.00 O ATOM 0 H GLY A 43 12.428 6.289 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.123 5.056 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.846 5.054 5.957 1.00 0.00 H new ATOM 676 N LYS A 44 12.102 2.851 7.398 1.00 0.00 N ATOM 677 CA LYS A 44 12.071 1.518 8.013 1.00 0.00 C ATOM 678 C LYS A 44 12.641 0.439 7.110 1.00 0.00 C ATOM 679 O LYS A 44 12.914 -0.672 7.553 1.00 0.00 O ATOM 680 CB LYS A 44 10.662 1.126 8.487 1.00 0.00 C ATOM 681 CG LYS A 44 10.303 1.661 9.867 1.00 0.00 C ATOM 682 CD LYS A 44 10.309 3.175 9.925 1.00 0.00 C ATOM 683 CE LYS A 44 10.241 3.665 11.350 1.00 0.00 C ATOM 684 NZ LYS A 44 11.441 3.287 12.125 1.00 0.00 N ATOM 0 H LYS A 44 11.205 3.168 7.029 1.00 0.00 H new ATOM 0 HA LYS A 44 12.716 1.590 8.889 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.932 1.492 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.582 0.039 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.316 1.294 10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.010 1.270 10.599 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.212 3.556 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.462 3.567 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.133 4.750 11.355 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.354 3.254 11.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.533 3.914 12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.350 2.302 12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.285 3.379 11.525 1.00 0.00 H new ATOM 698 N ILE A 45 12.833 0.767 5.870 1.00 0.00 N ATOM 699 CA ILE A 45 13.339 -0.183 4.916 1.00 0.00 C ATOM 700 C ILE A 45 14.844 0.048 4.725 1.00 0.00 C ATOM 701 O ILE A 45 15.279 1.201 4.644 1.00 0.00 O ATOM 702 CB ILE A 45 12.615 -0.034 3.544 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.082 -0.203 3.692 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.161 -1.033 2.532 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.636 -1.573 4.184 1.00 0.00 C ATOM 0 H ILE A 45 12.646 1.694 5.488 1.00 0.00 H new ATOM 0 HA ILE A 45 13.157 -1.189 5.295 1.00 0.00 H new ATOM 0 HB ILE A 45 12.810 0.974 3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.712 0.554 4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.614 -0.009 2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.641 -0.910 1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.227 -0.858 2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.007 -2.047 2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.549 -1.597 4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.970 -2.338 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.069 -1.766 5.165 1.00 0.00 H new ATOM 717 N PRO A 46 15.664 -1.028 4.711 1.00 0.00 N ATOM 718 CA PRO A 46 17.098 -0.922 4.443 1.00 0.00 C ATOM 719 C PRO A 46 17.396 -0.288 3.066 1.00 0.00 C ATOM 720 O PRO A 46 16.618 -0.454 2.111 1.00 0.00 O ATOM 721 CB PRO A 46 17.601 -2.375 4.488 1.00 0.00 C ATOM 722 CG PRO A 46 16.376 -3.223 4.421 1.00 0.00 C ATOM 723 CD PRO A 46 15.266 -2.416 5.010 1.00 0.00 C ATOM 0 HA PRO A 46 17.590 -0.274 5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.270 -2.585 3.653 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.162 -2.568 5.402 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.151 -3.498 3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.516 -4.151 4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.305 -2.665 4.561 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.170 -2.585 6.082 1.00 0.00 H new ATOM 731 N TRP A 47 18.561 0.365 2.995 1.00 0.00 N ATOM 732 CA TRP A 47 19.090 1.170 1.858 1.00 0.00 C ATOM 733 C TRP A 47 18.656 0.716 0.439 1.00 0.00 C ATOM 734 O TRP A 47 18.252 1.542 -0.383 1.00 0.00 O ATOM 735 CB TRP A 47 20.639 1.241 1.945 1.00 0.00 C ATOM 736 CG TRP A 47 21.330 -0.102 1.835 1.00 0.00 C ATOM 737 CD1 TRP A 47 21.885 -0.643 0.709 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.512 -1.076 2.878 1.00 0.00 C ATOM 739 NE1 TRP A 47 22.387 -1.886 0.984 1.00 0.00 N ATOM 740 CE2 TRP A 47 22.177 -2.176 2.307 1.00 0.00 C ATOM 741 CE3 TRP A 47 21.178 -1.123 4.235 1.00 0.00 C ATOM 742 CZ2 TRP A 47 22.511 -3.308 3.042 1.00 0.00 C ATOM 743 CZ3 TRP A 47 21.509 -2.244 4.958 1.00 0.00 C ATOM 744 CH2 TRP A 47 22.170 -3.323 4.363 1.00 0.00 C ATOM 0 H TRP A 47 19.214 0.352 3.778 1.00 0.00 H new ATOM 0 HA TRP A 47 18.637 2.154 1.977 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.007 1.892 1.152 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.918 1.704 2.892 1.00 0.00 H new ATOM 0 HD1 TRP A 47 21.922 -0.160 -0.256 1.00 0.00 H new ATOM 0 HE1 TRP A 47 22.845 -2.500 0.311 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.670 -0.294 4.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 23.021 -4.143 2.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.254 -2.292 6.006 1.00 0.00 H new ATOM 0 HH2 TRP A 47 22.416 -4.187 4.962 1.00 0.00 H new ATOM 755 N GLY A 48 18.748 -0.562 0.154 1.00 0.00 N ATOM 756 CA GLY A 48 18.412 -1.036 -1.154 1.00 0.00 C ATOM 757 C GLY A 48 18.002 -2.471 -1.134 1.00 0.00 C ATOM 758 O GLY A 48 18.647 -3.310 -1.735 1.00 0.00 O ATOM 0 H GLY A 48 19.051 -1.282 0.810 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.602 -0.432 -1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.268 -0.912 -1.817 1.00 0.00 H new ATOM 762 N SER A 49 16.962 -2.765 -0.405 1.00 0.00 N ATOM 763 CA SER A 49 16.450 -4.118 -0.351 1.00 0.00 C ATOM 764 C SER A 49 15.185 -4.228 -1.226 1.00 0.00 C ATOM 765 O SER A 49 14.599 -5.289 -1.364 1.00 0.00 O ATOM 766 CB SER A 49 16.152 -4.477 1.122 1.00 0.00 C ATOM 767 OG SER A 49 15.795 -5.840 1.307 1.00 0.00 O ATOM 0 H SER A 49 16.448 -2.091 0.162 1.00 0.00 H new ATOM 0 HA SER A 49 17.186 -4.822 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.030 -4.253 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.343 -3.844 1.487 1.00 0.00 H new ATOM 0 HG SER A 49 15.329 -6.167 0.509 1.00 0.00 H new ATOM 773 N MET A 50 14.807 -3.121 -1.854 1.00 0.00 N ATOM 774 CA MET A 50 13.565 -3.054 -2.639 1.00 0.00 C ATOM 775 C MET A 50 13.875 -2.982 -4.127 1.00 0.00 C ATOM 776 O MET A 50 13.024 -2.595 -4.932 1.00 0.00 O ATOM 777 CB MET A 50 12.770 -1.801 -2.259 1.00 0.00 C ATOM 778 CG MET A 50 12.368 -1.698 -0.810 1.00 0.00 C ATOM 779 SD MET A 50 11.630 -0.098 -0.413 1.00 0.00 S ATOM 780 CE MET A 50 13.006 1.017 -0.742 1.00 0.00 C ATOM 0 H MET A 50 15.340 -2.251 -1.839 1.00 0.00 H new ATOM 0 HA MET A 50 12.985 -3.952 -2.424 1.00 0.00 H new ATOM 0 HB2 MET A 50 13.364 -0.924 -2.516 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.869 -1.765 -2.871 1.00 0.00 H new ATOM 0 HG2 MET A 50 11.658 -2.491 -0.575 1.00 0.00 H new ATOM 0 HG3 MET A 50 13.243 -1.858 -0.181 1.00 0.00 H new ATOM 0 HE1 MET A 50 13.250 1.571 0.164 1.00 0.00 H new ATOM 0 HE2 MET A 50 13.874 0.440 -1.059 1.00 0.00 H new ATOM 0 HE3 MET A 50 12.727 1.716 -1.530 1.00 0.00 H new ATOM 790 N GLU A 51 15.062 -3.380 -4.498 1.00 0.00 N ATOM 791 CA GLU A 51 15.501 -3.236 -5.869 1.00 0.00 C ATOM 792 C GLU A 51 15.026 -4.412 -6.699 1.00 0.00 C ATOM 793 O GLU A 51 14.298 -4.253 -7.679 1.00 0.00 O ATOM 794 CB GLU A 51 17.013 -3.099 -5.902 1.00 0.00 C ATOM 795 CG GLU A 51 17.527 -1.980 -5.000 1.00 0.00 C ATOM 796 CD GLU A 51 16.963 -0.618 -5.346 1.00 0.00 C ATOM 797 OE1 GLU A 51 15.812 -0.311 -4.957 1.00 0.00 O ATOM 798 OE2 GLU A 51 17.674 0.189 -5.995 1.00 0.00 O ATOM 0 H GLU A 51 15.746 -3.807 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 51 15.066 -2.335 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.465 -4.042 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.333 -2.909 -6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.278 -2.215 -3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.614 -1.942 -5.066 1.00 0.00 H new ATOM 805 N LYS A 52 15.365 -5.591 -6.248 1.00 0.00 N ATOM 806 CA LYS A 52 14.950 -6.825 -6.903 1.00 0.00 C ATOM 807 C LYS A 52 13.571 -7.252 -6.413 1.00 0.00 C ATOM 808 O LYS A 52 13.104 -8.361 -6.698 1.00 0.00 O ATOM 809 CB LYS A 52 15.964 -7.939 -6.625 1.00 0.00 C ATOM 810 CG LYS A 52 17.331 -7.740 -7.266 1.00 0.00 C ATOM 811 CD LYS A 52 17.296 -7.819 -8.806 1.00 0.00 C ATOM 812 CE LYS A 52 17.109 -9.256 -9.370 1.00 0.00 C ATOM 813 NZ LYS A 52 15.784 -9.866 -9.088 1.00 0.00 N ATOM 0 H LYS A 52 15.937 -5.734 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 52 14.902 -6.644 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.095 -8.030 -5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.549 -8.884 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.728 -6.770 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.018 -8.496 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.485 -7.190 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.224 -7.405 -9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.260 -9.231 -10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.885 -9.899 -8.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.512 -10.486 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.838 -10.424 -8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.073 -9.115 -8.977 1.00 0.00 H new ATOM 827 N ALA A 53 12.923 -6.372 -5.700 1.00 0.00 N ATOM 828 CA ALA A 53 11.640 -6.643 -5.138 1.00 0.00 C ATOM 829 C ALA A 53 10.537 -6.276 -6.112 1.00 0.00 C ATOM 830 O ALA A 53 10.452 -5.136 -6.562 1.00 0.00 O ATOM 831 CB ALA A 53 11.473 -5.886 -3.827 1.00 0.00 C ATOM 0 H ALA A 53 13.279 -5.439 -5.494 1.00 0.00 H new ATOM 0 HA ALA A 53 11.568 -7.712 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.490 -6.100 -3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.245 -6.200 -3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.564 -4.815 -4.011 1.00 0.00 H new ATOM 837 N GLY A 54 9.745 -7.256 -6.476 1.00 0.00 N ATOM 838 CA GLY A 54 8.591 -7.029 -7.286 1.00 0.00 C ATOM 839 C GLY A 54 7.420 -6.656 -6.413 1.00 0.00 C ATOM 840 O GLY A 54 7.598 -6.485 -5.215 1.00 0.00 O ATOM 0 H GLY A 54 9.890 -8.231 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.790 -6.233 -8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.357 -7.925 -7.861 1.00 0.00 H new ATOM 844 N PRO A 55 6.209 -6.577 -6.960 1.00 0.00 N ATOM 845 CA PRO A 55 5.007 -6.183 -6.203 1.00 0.00 C ATOM 846 C PRO A 55 4.752 -7.080 -4.975 1.00 0.00 C ATOM 847 O PRO A 55 4.386 -6.599 -3.900 1.00 0.00 O ATOM 848 CB PRO A 55 3.872 -6.327 -7.221 1.00 0.00 C ATOM 849 CG PRO A 55 4.437 -7.129 -8.347 1.00 0.00 C ATOM 850 CD PRO A 55 5.904 -6.853 -8.366 1.00 0.00 C ATOM 0 HA PRO A 55 5.104 -5.177 -5.796 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.010 -6.827 -6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.531 -5.351 -7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.244 -8.192 -8.202 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.976 -6.847 -9.294 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.470 -7.706 -8.741 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.146 -6.004 -9.005 1.00 0.00 H new ATOM 858 N LEU A 56 5.004 -8.363 -5.133 1.00 0.00 N ATOM 859 CA LEU A 56 4.796 -9.331 -4.067 1.00 0.00 C ATOM 860 C LEU A 56 5.927 -9.239 -3.066 1.00 0.00 C ATOM 861 O LEU A 56 5.705 -9.283 -1.857 1.00 0.00 O ATOM 862 CB LEU A 56 4.723 -10.736 -4.652 1.00 0.00 C ATOM 863 CG LEU A 56 4.583 -11.884 -3.663 1.00 0.00 C ATOM 864 CD1 LEU A 56 3.270 -11.808 -2.908 1.00 0.00 C ATOM 865 CD2 LEU A 56 4.724 -13.199 -4.384 1.00 0.00 C ATOM 0 H LEU A 56 5.358 -8.767 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 56 3.856 -9.112 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.878 -10.774 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.623 -10.905 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 56 5.380 -11.804 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.203 -12.643 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.221 -10.869 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.441 -11.857 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.623 -14.017 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.947 -13.282 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.704 -13.250 -4.859 1.00 0.00 H new ATOM 877 N GLU A 57 7.125 -9.085 -3.579 1.00 0.00 N ATOM 878 CA GLU A 57 8.304 -8.953 -2.747 1.00 0.00 C ATOM 879 C GLU A 57 8.202 -7.686 -1.902 1.00 0.00 C ATOM 880 O GLU A 57 8.436 -7.718 -0.701 1.00 0.00 O ATOM 881 CB GLU A 57 9.546 -8.913 -3.613 1.00 0.00 C ATOM 882 CG GLU A 57 9.793 -10.175 -4.416 1.00 0.00 C ATOM 883 CD GLU A 57 10.188 -11.344 -3.553 1.00 0.00 C ATOM 884 OE1 GLU A 57 9.306 -12.061 -3.054 1.00 0.00 O ATOM 885 OE2 GLU A 57 11.405 -11.571 -3.382 1.00 0.00 O ATOM 0 H GLU A 57 7.313 -9.047 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 57 8.372 -9.813 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.468 -8.070 -4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.411 -8.727 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.891 -10.428 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.578 -9.987 -5.148 1.00 0.00 H new ATOM 892 N MET A 58 7.808 -6.579 -2.541 1.00 0.00 N ATOM 893 CA MET A 58 7.612 -5.301 -1.855 1.00 0.00 C ATOM 894 C MET A 58 6.615 -5.453 -0.750 1.00 0.00 C ATOM 895 O MET A 58 6.889 -5.067 0.371 1.00 0.00 O ATOM 896 CB MET A 58 7.169 -4.187 -2.821 1.00 0.00 C ATOM 897 CG MET A 58 8.262 -3.740 -3.774 1.00 0.00 C ATOM 898 SD MET A 58 7.754 -2.431 -4.894 1.00 0.00 S ATOM 899 CE MET A 58 9.275 -2.189 -5.803 1.00 0.00 C ATOM 0 H MET A 58 7.617 -6.545 -3.542 1.00 0.00 H new ATOM 0 HA MET A 58 8.574 -5.006 -1.436 1.00 0.00 H new ATOM 0 HB2 MET A 58 6.315 -4.538 -3.400 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.830 -3.328 -2.241 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.119 -3.398 -3.194 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.595 -4.598 -4.359 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.344 -1.151 -6.128 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.124 -2.425 -5.161 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.286 -2.843 -6.675 1.00 0.00 H new ATOM 909 N ALA A 59 5.485 -6.076 -1.062 1.00 0.00 N ATOM 910 CA ALA A 59 4.435 -6.335 -0.089 1.00 0.00 C ATOM 911 C ALA A 59 5.004 -7.016 1.155 1.00 0.00 C ATOM 912 O ALA A 59 4.739 -6.602 2.292 1.00 0.00 O ATOM 913 CB ALA A 59 3.351 -7.200 -0.714 1.00 0.00 C ATOM 0 H ALA A 59 5.272 -6.416 -2.000 1.00 0.00 H new ATOM 0 HA ALA A 59 4.000 -5.382 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.568 -7.390 0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.924 -6.684 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.783 -8.147 -1.037 1.00 0.00 H new ATOM 919 N GLN A 60 5.840 -8.014 0.926 1.00 0.00 N ATOM 920 CA GLN A 60 6.453 -8.762 2.000 1.00 0.00 C ATOM 921 C GLN A 60 7.441 -7.899 2.782 1.00 0.00 C ATOM 922 O GLN A 60 7.556 -8.030 3.989 1.00 0.00 O ATOM 923 CB GLN A 60 7.114 -10.023 1.468 1.00 0.00 C ATOM 924 CG GLN A 60 6.141 -10.939 0.748 1.00 0.00 C ATOM 925 CD GLN A 60 6.778 -12.196 0.229 1.00 0.00 C ATOM 926 OE1 GLN A 60 7.753 -12.707 0.791 1.00 0.00 O ATOM 927 NE2 GLN A 60 6.238 -12.708 -0.837 1.00 0.00 N ATOM 0 H GLN A 60 6.110 -8.325 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 60 5.668 -9.064 2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.918 -9.746 0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.571 -10.565 2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.332 -11.205 1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.692 -10.397 -0.085 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.434 -12.254 -1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.619 -13.564 -1.241 1.00 0.00 H new ATOM 936 N LEU A 61 8.122 -7.008 2.100 1.00 0.00 N ATOM 937 CA LEU A 61 9.042 -6.082 2.751 1.00 0.00 C ATOM 938 C LEU A 61 8.314 -5.131 3.699 1.00 0.00 C ATOM 939 O LEU A 61 8.717 -4.982 4.863 1.00 0.00 O ATOM 940 CB LEU A 61 9.913 -5.325 1.734 1.00 0.00 C ATOM 941 CG LEU A 61 11.284 -5.948 1.422 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.171 -7.344 0.830 1.00 0.00 C ATOM 943 CD2 LEU A 61 12.063 -5.045 0.506 1.00 0.00 C ATOM 0 H LEU A 61 8.061 -6.898 1.088 1.00 0.00 H new ATOM 0 HA LEU A 61 9.718 -6.682 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.355 -5.239 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.073 -4.313 2.105 1.00 0.00 H new ATOM 0 HG LEU A 61 11.816 -6.052 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.168 -7.736 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.659 -7.998 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.604 -7.300 -0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.032 -5.494 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.512 -4.907 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.210 -4.078 0.987 1.00 0.00 H new ATOM 955 N LEU A 62 7.217 -4.525 3.234 1.00 0.00 N ATOM 956 CA LEU A 62 6.438 -3.655 4.097 1.00 0.00 C ATOM 957 C LEU A 62 5.849 -4.437 5.273 1.00 0.00 C ATOM 958 O LEU A 62 5.856 -3.962 6.408 1.00 0.00 O ATOM 959 CB LEU A 62 5.305 -2.910 3.350 1.00 0.00 C ATOM 960 CG LEU A 62 5.675 -1.781 2.372 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.565 -0.760 3.001 1.00 0.00 C ATOM 962 CD2 LEU A 62 6.267 -2.295 1.107 1.00 0.00 C ATOM 0 H LEU A 62 6.860 -4.622 2.283 1.00 0.00 H new ATOM 0 HA LEU A 62 7.133 -2.901 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.733 -3.653 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.636 -2.489 4.101 1.00 0.00 H new ATOM 0 HG LEU A 62 4.737 -1.289 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.799 0.017 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.059 -0.314 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.488 -1.236 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.510 -1.458 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.175 -2.855 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.551 -2.949 0.609 1.00 0.00 H new ATOM 974 N ILE A 63 5.370 -5.644 5.001 1.00 0.00 N ATOM 975 CA ILE A 63 4.751 -6.484 6.034 1.00 0.00 C ATOM 976 C ILE A 63 5.802 -6.917 7.100 1.00 0.00 C ATOM 977 O ILE A 63 5.491 -7.026 8.287 1.00 0.00 O ATOM 978 CB ILE A 63 4.000 -7.727 5.381 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.675 -8.041 6.104 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.869 -8.990 5.322 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.809 -8.565 7.521 1.00 0.00 C ATOM 0 H ILE A 63 5.395 -6.069 4.074 1.00 0.00 H new ATOM 0 HA ILE A 63 3.995 -5.895 6.554 1.00 0.00 H new ATOM 0 HB ILE A 63 3.782 -7.427 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.071 -7.134 6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.126 -8.775 5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.301 -9.801 4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.760 -8.791 4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.165 -9.276 6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.818 -8.752 7.935 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.381 -9.493 7.513 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.325 -7.826 8.135 1.00 0.00 H new ATOM 993 N THR A 64 7.047 -7.082 6.673 1.00 0.00 N ATOM 994 CA THR A 64 8.112 -7.523 7.558 1.00 0.00 C ATOM 995 C THR A 64 8.559 -6.411 8.528 1.00 0.00 C ATOM 996 O THR A 64 8.878 -6.682 9.687 1.00 0.00 O ATOM 997 CB THR A 64 9.330 -8.059 6.743 1.00 0.00 C ATOM 998 OG1 THR A 64 8.902 -9.161 5.919 1.00 0.00 O ATOM 999 CG2 THR A 64 10.459 -8.532 7.656 1.00 0.00 C ATOM 0 H THR A 64 7.344 -6.915 5.711 1.00 0.00 H new ATOM 0 HA THR A 64 7.708 -8.338 8.159 1.00 0.00 H new ATOM 0 HB THR A 64 9.708 -7.241 6.130 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.581 -8.820 5.058 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.288 -8.898 7.050 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.800 -7.701 8.274 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.096 -9.336 8.297 1.00 0.00 H new ATOM 1007 N HIS A 65 8.559 -5.175 8.074 1.00 0.00 N ATOM 1008 CA HIS A 65 9.036 -4.087 8.923 1.00 0.00 C ATOM 1009 C HIS A 65 7.892 -3.343 9.606 1.00 0.00 C ATOM 1010 O HIS A 65 7.939 -3.090 10.815 1.00 0.00 O ATOM 1011 CB HIS A 65 9.954 -3.119 8.153 1.00 0.00 C ATOM 1012 CG HIS A 65 11.221 -3.757 7.636 1.00 0.00 C ATOM 1013 ND1 HIS A 65 12.374 -3.908 8.380 1.00 0.00 N ATOM 1014 CD2 HIS A 65 11.493 -4.297 6.421 1.00 0.00 C ATOM 1015 CE1 HIS A 65 13.285 -4.513 7.621 1.00 0.00 C ATOM 1016 NE2 HIS A 65 12.804 -4.778 6.413 1.00 0.00 N ATOM 0 H HIS A 65 8.243 -4.895 7.145 1.00 0.00 H new ATOM 0 HA HIS A 65 9.633 -4.548 9.710 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.401 -2.701 7.312 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.218 -2.287 8.806 1.00 0.00 H new ATOM 0 HD2 HIS A 65 10.804 -4.347 5.591 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.286 -4.757 7.946 1.00 0.00 H new ATOM 0 HE2 HIS A 65 13.289 -5.236 5.642 1.00 0.00 H new ATOM 1024 N PHE A 66 6.891 -2.971 8.842 1.00 0.00 N ATOM 1025 CA PHE A 66 5.738 -2.264 9.373 1.00 0.00 C ATOM 1026 C PHE A 66 4.726 -3.188 10.068 1.00 0.00 C ATOM 1027 O PHE A 66 4.531 -3.099 11.283 1.00 0.00 O ATOM 1028 CB PHE A 66 5.074 -1.469 8.261 1.00 0.00 C ATOM 1029 CG PHE A 66 5.985 -0.458 7.666 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.066 0.816 8.193 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.782 -0.787 6.592 1.00 0.00 C ATOM 1032 CE1 PHE A 66 6.931 1.732 7.654 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.635 0.122 6.053 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.712 1.375 6.578 1.00 0.00 C ATOM 0 H PHE A 66 6.848 -3.147 7.838 1.00 0.00 H new ATOM 0 HA PHE A 66 6.100 -1.587 10.146 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.735 -2.152 7.482 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.188 -0.970 8.654 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.445 1.091 9.033 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.728 -1.781 6.173 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.000 2.726 8.070 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.251 -0.149 5.209 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.391 2.095 6.147 1.00 0.00 H new ATOM 1044 N GLY A 67 4.089 -4.054 9.314 1.00 0.00 N ATOM 1045 CA GLY A 67 3.079 -4.945 9.875 1.00 0.00 C ATOM 1046 C GLY A 67 1.982 -5.187 8.866 1.00 0.00 C ATOM 1047 O GLY A 67 2.019 -4.581 7.818 1.00 0.00 O ATOM 0 H GLY A 67 4.246 -4.166 8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.537 -5.892 10.160 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.660 -4.508 10.781 1.00 0.00 H new ATOM 1051 N PRO A 68 0.989 -6.043 9.158 1.00 0.00 N ATOM 1052 CA PRO A 68 -0.081 -6.398 8.197 1.00 0.00 C ATOM 1053 C PRO A 68 -0.921 -5.197 7.729 1.00 0.00 C ATOM 1054 O PRO A 68 -1.012 -4.913 6.522 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.952 -7.413 8.963 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.597 -7.237 10.402 1.00 0.00 C ATOM 1057 CD PRO A 68 0.827 -6.749 10.440 1.00 0.00 C ATOM 0 HA PRO A 68 0.345 -6.794 7.275 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.013 -7.226 8.795 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.751 -8.432 8.631 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -1.265 -6.520 10.880 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.698 -8.178 10.943 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.000 -6.085 11.287 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.531 -7.576 10.534 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.496 -4.476 8.667 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.337 -3.347 8.334 1.00 0.00 C ATOM 1067 C GLU A 69 -1.496 -2.134 8.063 1.00 0.00 C ATOM 1068 O GLU A 69 -1.854 -1.271 7.263 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.319 -3.053 9.447 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.241 -4.210 9.738 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.966 -4.719 8.516 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -4.448 -5.631 7.839 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -6.088 -4.259 8.226 1.00 0.00 O ATOM 0 H GLU A 69 -1.396 -4.652 9.667 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.900 -3.601 7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.768 -2.797 10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.914 -2.180 9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.663 -5.025 10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.973 -3.903 10.485 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.350 -2.097 8.708 1.00 0.00 N ATOM 1081 CA GLU A 70 0.560 -0.994 8.585 1.00 0.00 C ATOM 1082 C GLU A 70 1.112 -0.949 7.164 1.00 0.00 C ATOM 1083 O GLU A 70 1.099 0.090 6.530 1.00 0.00 O ATOM 1084 CB GLU A 70 1.684 -1.126 9.608 1.00 0.00 C ATOM 1085 CG GLU A 70 2.488 0.140 9.808 1.00 0.00 C ATOM 1086 CD GLU A 70 1.673 1.234 10.419 1.00 0.00 C ATOM 1087 OE1 GLU A 70 0.973 1.943 9.699 1.00 0.00 O ATOM 1088 OE2 GLU A 70 1.709 1.393 11.654 1.00 0.00 O ATOM 0 H GLU A 70 -0.028 -2.836 9.333 1.00 0.00 H new ATOM 0 HA GLU A 70 0.034 -0.060 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.257 -1.427 10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.356 -1.925 9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.345 -0.073 10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.881 0.475 8.848 1.00 0.00 H new ATOM 1095 N ALA A 71 1.553 -2.104 6.663 1.00 0.00 N ATOM 1096 CA ALA A 71 2.041 -2.244 5.284 1.00 0.00 C ATOM 1097 C ALA A 71 0.957 -1.860 4.315 1.00 0.00 C ATOM 1098 O ALA A 71 1.215 -1.229 3.289 1.00 0.00 O ATOM 1099 CB ALA A 71 2.429 -3.678 5.020 1.00 0.00 C ATOM 0 H ALA A 71 1.583 -2.971 7.200 1.00 0.00 H new ATOM 0 HA ALA A 71 2.905 -1.593 5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.790 -3.775 3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.217 -3.975 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.561 -4.322 5.161 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.259 -2.221 4.668 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.402 -1.940 3.857 1.00 0.00 C ATOM 1107 C TRP A 72 -1.625 -0.444 3.747 1.00 0.00 C ATOM 1108 O TRP A 72 -1.766 0.098 2.629 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.641 -2.669 4.392 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.899 -2.370 3.640 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.108 -2.035 4.173 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.066 -2.335 2.217 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.012 -1.829 3.169 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.393 -1.997 1.965 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.216 -2.563 1.136 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.891 -1.877 0.689 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.714 -2.443 -0.137 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.044 -2.101 -0.350 1.00 0.00 C ATOM 0 H TRP A 72 -0.473 -2.720 5.532 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.217 -2.315 2.851 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.459 -3.743 4.361 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.784 -2.400 5.439 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.319 -1.946 5.228 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.994 -1.588 3.299 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.182 -2.830 1.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.924 -1.613 0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.065 -2.616 -0.983 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.412 -2.011 -1.361 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.619 0.229 4.882 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.778 1.657 4.889 1.00 0.00 C ATOM 1131 C ARG A 73 -0.614 2.303 4.156 1.00 0.00 C ATOM 1132 O ARG A 73 -0.818 3.172 3.319 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.877 2.228 6.305 1.00 0.00 C ATOM 1134 CG ARG A 73 -2.051 3.750 6.317 1.00 0.00 C ATOM 1135 CD ARG A 73 -1.978 4.346 7.713 1.00 0.00 C ATOM 1136 NE ARG A 73 -0.708 4.050 8.381 1.00 0.00 N ATOM 1137 CZ ARG A 73 0.228 4.951 8.714 1.00 0.00 C ATOM 1138 NH1 ARG A 73 0.085 6.235 8.399 1.00 0.00 N ATOM 1139 NH2 ARG A 73 1.296 4.554 9.372 1.00 0.00 N ATOM 0 H ARG A 73 -1.506 -0.194 5.803 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.716 1.883 4.382 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.719 1.766 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.978 1.965 6.862 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.280 4.203 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.012 4.004 5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.110 5.426 7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.801 3.958 8.314 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.519 3.075 8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.746 6.547 7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.806 6.907 8.660 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.405 3.571 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.015 5.229 9.631 1.00 0.00 H new ATOM 1153 N LEU A 74 0.588 1.840 4.460 1.00 0.00 N ATOM 1154 CA LEU A 74 1.810 2.332 3.842 1.00 0.00 C ATOM 1155 C LEU A 74 1.756 2.285 2.334 1.00 0.00 C ATOM 1156 O LEU A 74 2.188 3.209 1.691 1.00 0.00 O ATOM 1157 CB LEU A 74 3.052 1.593 4.369 1.00 0.00 C ATOM 1158 CG LEU A 74 3.859 2.289 5.484 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.515 3.549 4.954 1.00 0.00 C ATOM 1160 CD2 LEU A 74 2.991 2.622 6.689 1.00 0.00 C ATOM 0 H LEU A 74 0.745 1.105 5.149 1.00 0.00 H new ATOM 0 HA LEU A 74 1.894 3.380 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.735 0.618 4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.722 1.413 3.528 1.00 0.00 H new ATOM 0 HG LEU A 74 4.630 1.591 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.081 4.028 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.188 3.292 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.748 4.233 4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.598 3.111 7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.185 3.289 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.567 1.704 7.097 1.00 0.00 H new ATOM 1172 N ALA A 75 1.212 1.234 1.773 1.00 0.00 N ATOM 1173 CA ALA A 75 1.110 1.156 0.340 1.00 0.00 C ATOM 1174 C ALA A 75 0.045 2.096 -0.192 1.00 0.00 C ATOM 1175 O ALA A 75 0.369 3.023 -0.923 1.00 0.00 O ATOM 1176 CB ALA A 75 0.877 -0.254 -0.129 1.00 0.00 C ATOM 0 H ALA A 75 0.838 0.432 2.280 1.00 0.00 H new ATOM 0 HA ALA A 75 2.069 1.477 -0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.806 -0.269 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.707 -0.885 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.051 -0.632 0.300 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.211 1.922 0.231 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.313 2.714 -0.340 1.00 0.00 C ATOM 1184 C LEU A 76 -2.137 4.206 -0.080 1.00 0.00 C ATOM 1185 O LEU A 76 -2.303 5.027 -0.976 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.703 2.192 0.110 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.110 2.372 1.584 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.735 3.727 1.847 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.049 1.302 1.989 1.00 0.00 C ATOM 0 H LEU A 76 -1.490 1.256 0.951 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.272 2.581 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.457 2.683 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.748 1.127 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.198 2.309 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.005 3.805 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.021 4.512 1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.629 3.840 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.329 1.440 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.941 1.346 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.569 0.331 1.868 1.00 0.00 H new ATOM 1201 N SER A 77 -1.714 4.540 1.111 1.00 0.00 N ATOM 1202 CA SER A 77 -1.520 5.900 1.490 1.00 0.00 C ATOM 1203 C SER A 77 -0.216 6.480 0.946 1.00 0.00 C ATOM 1204 O SER A 77 0.124 7.626 1.219 1.00 0.00 O ATOM 1205 CB SER A 77 -1.683 6.061 2.995 1.00 0.00 C ATOM 1206 OG SER A 77 -3.061 6.085 3.347 1.00 0.00 O ATOM 0 H SER A 77 -1.495 3.866 1.844 1.00 0.00 H new ATOM 0 HA SER A 77 -2.301 6.499 1.021 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.184 5.240 3.511 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.202 6.983 3.322 1.00 0.00 H new ATOM 0 HG SER A 77 -3.513 6.799 2.851 1.00 0.00 H new ATOM 1212 N THR A 78 0.504 5.685 0.182 1.00 0.00 N ATOM 1213 CA THR A 78 1.625 6.155 -0.575 1.00 0.00 C ATOM 1214 C THR A 78 1.231 6.206 -2.057 1.00 0.00 C ATOM 1215 O THR A 78 1.746 7.035 -2.806 1.00 0.00 O ATOM 1216 CB THR A 78 2.889 5.303 -0.329 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.282 5.466 1.043 1.00 0.00 O ATOM 1218 CG2 THR A 78 4.040 5.702 -1.237 1.00 0.00 C ATOM 0 H THR A 78 0.319 4.688 0.074 1.00 0.00 H new ATOM 0 HA THR A 78 1.887 7.160 -0.245 1.00 0.00 H new ATOM 0 HB THR A 78 2.651 4.263 -0.551 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.988 4.689 1.562 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.905 5.074 -1.025 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.744 5.573 -2.278 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.298 6.746 -1.060 1.00 0.00 H new ATOM 1226 N PHE A 79 0.260 5.350 -2.453 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.299 5.380 -3.806 1.00 0.00 C ATOM 1228 C PHE A 79 -0.796 6.793 -4.079 1.00 0.00 C ATOM 1229 O PHE A 79 -0.363 7.446 -5.009 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.506 4.419 -3.975 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.251 2.945 -3.847 1.00 0.00 C ATOM 1232 CD1 PHE A 79 0.026 2.420 -3.882 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.321 2.076 -3.696 1.00 0.00 C ATOM 1234 CE1 PHE A 79 0.225 1.062 -3.759 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.126 0.720 -3.575 1.00 0.00 C ATOM 1236 CZ PHE A 79 -0.851 0.210 -3.606 1.00 0.00 C ATOM 0 H PHE A 79 -0.145 4.635 -1.849 1.00 0.00 H new ATOM 0 HA PHE A 79 0.485 5.067 -4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.259 4.694 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.943 4.599 -4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.874 3.078 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.326 2.471 -3.673 1.00 0.00 H new ATOM 0 HE1 PHE A 79 1.228 0.662 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.972 0.059 -3.456 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.691 -0.854 -3.511 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.664 7.275 -3.197 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.234 8.628 -3.290 1.00 0.00 C ATOM 1248 C GLU A 80 -1.135 9.713 -3.305 1.00 0.00 C ATOM 1249 O GLU A 80 -1.294 10.758 -3.944 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.175 8.888 -2.116 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.527 8.551 -0.800 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.190 9.170 0.395 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -3.244 10.407 0.449 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.556 8.446 1.354 1.00 0.00 O ATOM 0 H GLU A 80 -1.998 6.743 -2.393 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.785 8.682 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.476 9.936 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.082 8.295 -2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.524 7.468 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.486 8.872 -0.829 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.019 9.440 -2.626 1.00 0.00 N ATOM 1262 CA ARG A 81 1.085 10.388 -2.534 1.00 0.00 C ATOM 1263 C ARG A 81 1.814 10.477 -3.851 1.00 0.00 C ATOM 1264 O ARG A 81 2.254 11.537 -4.260 1.00 0.00 O ATOM 1265 CB ARG A 81 2.092 9.981 -1.463 1.00 0.00 C ATOM 1266 CG ARG A 81 1.582 9.945 -0.030 1.00 0.00 C ATOM 1267 CD ARG A 81 1.035 11.278 0.446 1.00 0.00 C ATOM 1268 NE ARG A 81 -0.381 11.484 0.088 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.903 12.597 -0.439 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -0.116 13.592 -0.856 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -2.215 12.691 -0.564 1.00 0.00 N ATOM 0 H ARG A 81 0.141 8.563 -2.130 1.00 0.00 H new ATOM 0 HA ARG A 81 0.651 11.352 -2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.475 8.992 -1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.935 10.670 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.800 9.190 0.051 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.393 9.637 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.143 11.342 1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.633 12.083 0.018 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.020 10.707 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.897 13.509 -0.775 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.528 14.435 -1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.813 11.922 -0.261 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.630 13.533 -0.964 1.00 0.00 H new ATOM 1285 N ILE A 82 1.925 9.355 -4.520 1.00 0.00 N ATOM 1286 CA ILE A 82 2.636 9.291 -5.779 1.00 0.00 C ATOM 1287 C ILE A 82 1.687 9.524 -6.953 1.00 0.00 C ATOM 1288 O ILE A 82 2.039 9.270 -8.109 1.00 0.00 O ATOM 1289 CB ILE A 82 3.402 7.950 -5.946 1.00 0.00 C ATOM 1290 CG1 ILE A 82 2.426 6.762 -6.016 1.00 0.00 C ATOM 1291 CG2 ILE A 82 4.378 7.783 -4.776 1.00 0.00 C ATOM 1292 CD1 ILE A 82 3.073 5.426 -6.285 1.00 0.00 C ATOM 0 H ILE A 82 1.530 8.466 -4.213 1.00 0.00 H new ATOM 0 HA ILE A 82 3.378 10.089 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 82 3.959 7.970 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.880 6.702 -5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.692 6.958 -6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.920 6.844 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.086 8.612 -4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.823 7.774 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.307 4.651 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.594 5.460 -7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.785 5.200 -5.491 1.00 0.00 H new ATOM 1304 N ASN A 83 0.490 10.031 -6.621 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.562 10.413 -7.565 1.00 0.00 C ATOM 1306 C ASN A 83 -1.384 9.274 -8.077 1.00 0.00 C ATOM 1307 O ASN A 83 -2.154 9.432 -9.021 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.073 11.328 -8.685 1.00 0.00 C ATOM 1309 CG ASN A 83 0.293 12.724 -8.208 1.00 0.00 C ATOM 1310 OD1 ASN A 83 1.206 13.356 -8.745 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -0.420 13.239 -7.234 1.00 0.00 N ATOM 0 H ASN A 83 0.222 10.191 -5.650 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.248 11.007 -6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.797 10.875 -9.160 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.849 11.404 -9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.225 14.184 -6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.169 12.694 -6.807 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.304 8.168 -7.414 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.083 7.033 -7.774 1.00 0.00 C ATOM 1320 C ARG A 84 -3.269 6.906 -6.831 1.00 0.00 C ATOM 1321 O ARG A 84 -3.246 6.169 -5.858 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.240 5.771 -7.779 1.00 0.00 C ATOM 1323 CG ARG A 84 -1.998 4.531 -8.242 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.614 4.764 -9.606 1.00 0.00 C ATOM 1325 NE ARG A 84 -1.578 5.115 -10.589 1.00 0.00 N ATOM 1326 CZ ARG A 84 -1.747 5.429 -11.880 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -2.961 5.597 -12.407 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -0.671 5.647 -12.621 1.00 0.00 N ATOM 0 H ARG A 84 -0.696 8.027 -6.607 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.459 7.170 -8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.378 5.923 -8.428 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.855 5.597 -6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.321 3.678 -8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.778 4.284 -7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.142 3.867 -9.931 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.352 5.564 -9.546 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.617 5.120 -10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.790 5.487 -11.823 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.060 5.836 -13.394 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.258 5.574 -12.206 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.771 5.888 -13.607 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.284 7.638 -7.113 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.422 7.680 -6.268 1.00 0.00 C ATOM 1344 C LYS A 85 -6.462 6.666 -6.754 1.00 0.00 C ATOM 1345 O LYS A 85 -7.294 6.225 -5.986 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.961 9.111 -6.229 1.00 0.00 C ATOM 1347 CG LYS A 85 -6.994 9.374 -5.152 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.458 10.825 -5.157 1.00 0.00 C ATOM 1349 CE LYS A 85 -8.391 11.115 -6.318 1.00 0.00 C ATOM 1350 NZ LYS A 85 -9.735 10.534 -6.102 1.00 0.00 N ATOM 0 H LYS A 85 -4.350 8.229 -7.942 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.159 7.400 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.125 9.795 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.401 9.345 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.851 8.718 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.573 9.130 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.966 11.047 -4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.591 11.483 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.479 12.193 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.964 10.712 -7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.025 10.006 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.708 9.890 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.418 11.297 -5.919 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.333 6.245 -8.028 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.256 5.256 -8.664 1.00 0.00 C ATOM 1366 C ASP A 86 -7.367 3.999 -7.812 1.00 0.00 C ATOM 1367 O ASP A 86 -8.441 3.584 -7.393 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.745 4.789 -10.056 1.00 0.00 C ATOM 1369 CG ASP A 86 -6.542 5.875 -11.085 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -7.527 6.364 -11.671 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -5.374 6.240 -11.340 1.00 0.00 O ATOM 0 H ASP A 86 -5.594 6.573 -8.650 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.214 5.766 -8.762 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.799 4.266 -9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.454 4.064 -10.457 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.221 3.423 -7.533 1.00 0.00 N ATOM 1377 CA LEU A 87 -6.138 2.162 -6.810 1.00 0.00 C ATOM 1378 C LEU A 87 -6.298 2.388 -5.321 1.00 0.00 C ATOM 1379 O LEU A 87 -6.653 1.485 -4.575 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.805 1.494 -7.111 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.535 1.208 -8.589 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -3.126 0.714 -8.772 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -5.530 0.187 -9.137 1.00 0.00 C ATOM 0 H LEU A 87 -5.316 3.811 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.947 1.509 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.005 2.128 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.756 0.554 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.660 2.137 -9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.945 0.514 -9.828 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.426 1.472 -8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.985 -0.203 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.317 0.000 -10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.441 -0.744 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.543 0.575 -9.035 1.00 0.00 H new ATOM 1395 N TRP A 88 -6.059 3.602 -4.919 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.194 4.023 -3.553 1.00 0.00 C ATOM 1397 C TRP A 88 -7.669 3.962 -3.141 1.00 0.00 C ATOM 1398 O TRP A 88 -8.013 3.472 -2.046 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.636 5.434 -3.443 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.867 6.083 -2.125 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.156 5.898 -1.005 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.892 7.022 -1.798 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.650 6.670 0.007 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.718 7.368 -0.456 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.932 7.603 -2.508 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.539 8.272 0.189 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.747 8.500 -1.866 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.547 8.827 -0.531 1.00 0.00 C ATOM 0 H TRP A 88 -5.757 4.347 -5.547 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.641 3.368 -2.880 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.564 5.404 -3.637 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.084 6.051 -4.222 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.311 5.232 -0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.278 6.715 0.955 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.097 7.354 -3.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.385 8.528 1.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.559 8.961 -2.409 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.207 9.538 -0.056 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.521 4.455 -4.033 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.980 4.413 -3.883 1.00 0.00 C ATOM 1421 C GLU A 89 -10.441 2.980 -3.622 1.00 0.00 C ATOM 1422 O GLU A 89 -11.239 2.711 -2.713 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.654 4.903 -5.172 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.332 6.333 -5.576 1.00 0.00 C ATOM 1425 CD GLU A 89 -10.829 7.362 -4.604 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -11.782 7.083 -3.848 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -10.291 8.481 -4.582 1.00 0.00 O ATOM 0 H GLU A 89 -8.217 4.904 -4.897 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.255 5.054 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.365 4.240 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.734 4.812 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.252 6.437 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.768 6.531 -6.555 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.884 2.069 -4.403 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.218 0.650 -4.344 1.00 0.00 C ATOM 1436 C ARG A 90 -9.662 0.006 -3.078 1.00 0.00 C ATOM 1437 O ARG A 90 -10.224 -0.961 -2.562 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.642 -0.088 -5.557 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.991 0.501 -6.909 1.00 0.00 C ATOM 1440 CD ARG A 90 -9.424 -0.359 -8.026 1.00 0.00 C ATOM 1441 NE ARG A 90 -9.652 0.221 -9.349 1.00 0.00 N ATOM 1442 CZ ARG A 90 -9.343 -0.370 -10.513 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -8.807 -1.589 -10.527 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -9.568 0.265 -11.657 1.00 0.00 N ATOM 0 H ARG A 90 -9.179 2.294 -5.105 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.305 0.573 -4.342 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.557 -0.114 -5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.990 -1.121 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.074 0.574 -7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.595 1.514 -6.985 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.353 -0.492 -7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.877 -1.349 -7.984 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.079 1.146 -9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.629 -2.078 -9.650 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.574 -2.034 -11.415 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.975 1.200 -11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.334 -0.182 -12.543 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.561 0.551 -2.594 1.00 0.00 N ATOM 1459 CA GLY A 91 -7.879 0.003 -1.454 1.00 0.00 C ATOM 1460 C GLY A 91 -8.662 0.103 -0.161 1.00 0.00 C ATOM 1461 O GLY A 91 -9.206 -0.895 0.302 1.00 0.00 O ATOM 0 H GLY A 91 -8.121 1.384 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.651 -1.045 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.927 0.519 -1.331 1.00 0.00 H new