USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 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 10 MET CE :methyl 170:sc= -3.12 (180deg=-3.74) USER MOD Single : A 11 SER OG : rot -85:sc= 1.17 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.00992 USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 0.521 (180deg=0.516) USER MOD Single : A 17 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.2!) USER MOD Single : A 19 SER OG : rot -60:sc= 1.32 USER MOD Single : A 23 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.015) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.0687 (180deg=-0.464) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -2.56 K(o=-2.6,f=-5.4!) USER MOD Single : A 39 SER OG : rot -25:sc= 1.05 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00279 USER MOD Single : A 45 LYS NZ :NH3+ -125:sc= -0.211 (180deg=-1.43) USER MOD Single : A 46 ASN :FLIP amide:sc=-0.00607 F(o=-0.62,f=-0.0061) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -64:sc= 0.39 USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= 0.489 (180deg=0.298) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 159:sc= 1.14 USER MOD Single : A 70 TYR OH : rot 172:sc= 1.24 USER MOD Single : A 72 THR OG1 : rot -7:sc= 0.689 USER MOD Single : A 73 SER OG : rot -48:sc= 1.24 USER MOD Single : A 74 CYS SG : rot -19:sc= 0.0317 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.210 6.805 -2.360 1.00 0.00 N ATOM 127 CA PRO A 9 -12.771 5.936 -3.449 1.00 0.00 C ATOM 128 C PRO A 9 -11.471 6.429 -4.072 1.00 0.00 C ATOM 129 O PRO A 9 -11.304 7.627 -4.307 1.00 0.00 O ATOM 130 CB PRO A 9 -13.921 5.998 -4.458 1.00 0.00 C ATOM 131 CG PRO A 9 -14.653 7.258 -4.151 1.00 0.00 C ATOM 132 CD PRO A 9 -14.447 7.533 -2.683 1.00 0.00 C ATOM 0 HA PRO A 9 -12.561 4.922 -3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.545 6.002 -5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.575 5.131 -4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.275 8.082 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.714 7.155 -4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.346 8.600 -2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.288 7.177 -2.087 1.00 0.00 H new ATOM 140 N MET A 10 -10.549 5.510 -4.323 1.00 0.00 N ATOM 141 CA MET A 10 -9.244 5.869 -4.861 1.00 0.00 C ATOM 142 C MET A 10 -9.229 5.671 -6.376 1.00 0.00 C ATOM 143 O MET A 10 -9.514 4.578 -6.865 1.00 0.00 O ATOM 144 CB MET A 10 -8.146 5.020 -4.217 1.00 0.00 C ATOM 145 CG MET A 10 -6.744 5.477 -4.580 1.00 0.00 C ATOM 146 SD MET A 10 -6.097 6.727 -3.460 1.00 0.00 S ATOM 147 CE MET A 10 -6.027 5.795 -1.943 1.00 0.00 C ATOM 0 H MET A 10 -10.680 4.511 -4.163 1.00 0.00 H new ATOM 0 HA MET A 10 -9.054 6.918 -4.634 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.261 5.050 -3.134 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.273 3.981 -4.523 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.076 4.616 -4.579 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.749 5.875 -5.595 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.484 6.366 -1.190 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.039 5.599 -1.589 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.515 4.849 -2.120 1.00 0.00 H new ATOM 157 N SER A 11 -8.899 6.723 -7.114 1.00 0.00 N ATOM 158 CA SER A 11 -8.929 6.676 -8.576 1.00 0.00 C ATOM 159 C SER A 11 -7.660 6.029 -9.153 1.00 0.00 C ATOM 160 O SER A 11 -6.741 5.695 -8.402 1.00 0.00 O ATOM 161 CB SER A 11 -9.109 8.091 -9.132 1.00 0.00 C ATOM 162 OG SER A 11 -8.137 8.977 -8.597 1.00 0.00 O ATOM 0 H SER A 11 -8.607 7.621 -6.727 1.00 0.00 H new ATOM 0 HA SER A 11 -9.773 6.056 -8.878 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.029 8.071 -10.219 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.108 8.455 -8.893 1.00 0.00 H new ATOM 0 HG SER A 11 -8.447 9.319 -7.732 1.00 0.00 H new ATOM 168 N TYR A 12 -7.610 5.861 -10.482 1.00 0.00 N ATOM 169 CA TYR A 12 -6.466 5.228 -11.147 1.00 0.00 C ATOM 170 C TYR A 12 -5.168 5.966 -10.832 1.00 0.00 C ATOM 171 O TYR A 12 -4.184 5.357 -10.403 1.00 0.00 O ATOM 172 CB TYR A 12 -6.695 5.162 -12.677 1.00 0.00 C ATOM 173 CG TYR A 12 -5.457 5.445 -13.519 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.469 4.489 -13.684 1.00 0.00 C ATOM 175 CD2 TYR A 12 -5.277 6.677 -14.140 1.00 0.00 C ATOM 176 CE1 TYR A 12 -3.338 4.744 -14.434 1.00 0.00 C ATOM 177 CE2 TYR A 12 -4.150 6.941 -14.896 1.00 0.00 C ATOM 178 CZ TYR A 12 -3.182 5.970 -15.039 1.00 0.00 C ATOM 179 OH TYR A 12 -2.050 6.229 -15.783 1.00 0.00 O ATOM 0 H TYR A 12 -8.351 6.156 -11.118 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.376 4.211 -10.764 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.072 4.172 -12.932 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.472 5.878 -12.946 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.586 3.523 -13.216 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.032 7.441 -14.029 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.579 3.984 -14.545 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -4.029 7.903 -15.372 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.096 7.139 -16.143 1.00 0.00 H new ATOM 189 N GLU A 13 -5.182 7.278 -11.029 1.00 0.00 N ATOM 190 CA GLU A 13 -3.998 8.103 -10.855 1.00 0.00 C ATOM 191 C GLU A 13 -3.492 8.006 -9.432 1.00 0.00 C ATOM 192 O GLU A 13 -2.291 8.086 -9.172 1.00 0.00 O ATOM 193 CB GLU A 13 -4.336 9.566 -11.177 1.00 0.00 C ATOM 194 CG GLU A 13 -4.911 9.774 -12.572 1.00 0.00 C ATOM 195 CD GLU A 13 -6.430 9.740 -12.585 1.00 0.00 C ATOM 196 OE1 GLU A 13 -7.015 8.656 -12.383 1.00 0.00 O ATOM 197 OE2 GLU A 13 -7.050 10.805 -12.796 1.00 0.00 O ATOM 0 H GLU A 13 -6.013 7.797 -11.313 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.222 7.747 -11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.051 9.934 -10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.434 10.168 -11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.569 10.732 -12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.528 9.002 -13.239 1.00 0.00 H new ATOM 204 N GLU A 14 -4.422 7.828 -8.520 1.00 0.00 N ATOM 205 CA GLU A 14 -4.110 7.758 -7.121 1.00 0.00 C ATOM 206 C GLU A 14 -3.550 6.390 -6.760 1.00 0.00 C ATOM 207 O GLU A 14 -2.523 6.301 -6.106 1.00 0.00 O ATOM 208 CB GLU A 14 -5.358 8.045 -6.315 1.00 0.00 C ATOM 209 CG GLU A 14 -5.810 9.492 -6.371 1.00 0.00 C ATOM 210 CD GLU A 14 -7.029 9.738 -5.506 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.157 9.450 -5.966 1.00 0.00 O ATOM 212 OE2 GLU A 14 -6.865 10.204 -4.358 1.00 0.00 O ATOM 0 H GLU A 14 -5.414 7.728 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.349 8.503 -6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.166 7.409 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.178 7.771 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.996 10.139 -6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.037 9.762 -7.403 1.00 0.00 H new ATOM 219 N LYS A 15 -4.234 5.331 -7.194 1.00 0.00 N ATOM 220 CA LYS A 15 -3.742 3.964 -6.995 1.00 0.00 C ATOM 221 C LYS A 15 -2.332 3.815 -7.567 1.00 0.00 C ATOM 222 O LYS A 15 -1.477 3.150 -6.981 1.00 0.00 O ATOM 223 CB LYS A 15 -4.656 2.938 -7.657 1.00 0.00 C ATOM 224 CG LYS A 15 -5.981 2.729 -6.962 1.00 0.00 C ATOM 225 CD LYS A 15 -7.013 2.224 -7.942 1.00 0.00 C ATOM 226 CE LYS A 15 -7.990 1.278 -7.274 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.891 0.616 -8.256 1.00 0.00 N ATOM 0 H LYS A 15 -5.127 5.391 -7.684 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.728 3.780 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.846 3.250 -8.684 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.132 1.983 -7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.863 2.015 -6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.318 3.666 -6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.555 3.068 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.515 1.714 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.437 0.519 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.588 1.829 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.575 0.017 -7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.401 1.340 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.327 0.028 -8.903 1.00 0.00 H new ATOM 241 N ARG A 16 -2.108 4.430 -8.725 1.00 0.00 N ATOM 242 CA ARG A 16 -0.789 4.461 -9.348 1.00 0.00 C ATOM 243 C ARG A 16 0.212 5.146 -8.433 1.00 0.00 C ATOM 244 O ARG A 16 1.278 4.607 -8.143 1.00 0.00 O ATOM 245 CB ARG A 16 -0.846 5.205 -10.679 1.00 0.00 C ATOM 246 CG ARG A 16 0.495 5.276 -11.377 1.00 0.00 C ATOM 247 CD ARG A 16 0.509 6.327 -12.464 1.00 0.00 C ATOM 248 NE ARG A 16 0.306 7.680 -11.937 1.00 0.00 N ATOM 249 CZ ARG A 16 -0.376 8.639 -12.570 1.00 0.00 C ATOM 250 NH1 ARG A 16 -0.956 8.392 -13.741 1.00 0.00 N ATOM 251 NH2 ARG A 16 -0.479 9.846 -12.028 1.00 0.00 N ATOM 0 H ARG A 16 -2.831 4.918 -9.255 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.472 3.433 -9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.564 4.712 -11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.214 6.217 -10.508 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.273 5.498 -10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.732 4.304 -11.809 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.461 6.285 -12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.271 6.103 -13.192 1.00 0.00 H new ATOM 0 HE ARG A 16 0.712 7.904 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.882 7.466 -14.162 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.475 9.129 -14.219 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.038 10.041 -11.129 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.999 10.579 -12.510 1.00 0.00 H new ATOM 265 N GLN A 17 -0.153 6.333 -7.974 1.00 0.00 N ATOM 266 CA GLN A 17 0.713 7.130 -7.129 1.00 0.00 C ATOM 267 C GLN A 17 0.989 6.392 -5.833 1.00 0.00 C ATOM 268 O GLN A 17 2.101 6.405 -5.312 1.00 0.00 O ATOM 269 CB GLN A 17 0.055 8.467 -6.835 1.00 0.00 C ATOM 270 CG GLN A 17 1.048 9.619 -6.768 1.00 0.00 C ATOM 271 CD GLN A 17 1.897 9.711 -8.019 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.956 9.096 -8.109 1.00 0.00 O ATOM 273 NE2 GLN A 17 1.440 10.474 -8.993 1.00 0.00 N ATOM 0 H GLN A 17 -1.054 6.766 -8.177 1.00 0.00 H new ATOM 0 HA GLN A 17 1.657 7.304 -7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.686 8.678 -7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.481 8.401 -5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.508 10.555 -6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.695 9.490 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.555 10.969 -8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.971 10.569 -9.859 1.00 0.00 H new ATOM 282 N LEU A 18 -0.052 5.752 -5.344 1.00 0.00 N ATOM 283 CA LEU A 18 0.000 4.904 -4.163 1.00 0.00 C ATOM 284 C LEU A 18 1.026 3.788 -4.355 1.00 0.00 C ATOM 285 O LEU A 18 1.885 3.561 -3.514 1.00 0.00 O ATOM 286 CB LEU A 18 -1.390 4.312 -3.948 1.00 0.00 C ATOM 287 CG LEU A 18 -1.786 3.937 -2.523 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.121 3.235 -2.550 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.749 3.067 -1.843 1.00 0.00 C ATOM 0 H LEU A 18 -0.980 5.805 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 18 0.300 5.489 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.122 5.028 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.474 3.418 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.854 4.856 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.410 2.964 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.873 3.899 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.046 2.334 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.080 2.829 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.620 2.144 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.200 3.600 -1.798 1.00 0.00 H new ATOM 301 N SER A 19 0.944 3.094 -5.476 1.00 0.00 N ATOM 302 CA SER A 19 1.869 2.010 -5.756 1.00 0.00 C ATOM 303 C SER A 19 3.302 2.541 -5.827 1.00 0.00 C ATOM 304 O SER A 19 4.271 1.812 -5.600 1.00 0.00 O ATOM 305 CB SER A 19 1.465 1.315 -7.057 1.00 0.00 C ATOM 306 OG SER A 19 1.934 2.013 -8.201 1.00 0.00 O ATOM 0 H SER A 19 0.250 3.260 -6.205 1.00 0.00 H new ATOM 0 HA SER A 19 1.828 1.278 -4.949 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.862 0.300 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.379 1.233 -7.102 1.00 0.00 H new ATOM 0 HG SER A 19 1.553 2.916 -8.212 1.00 0.00 H new ATOM 312 N LEU A 20 3.412 3.831 -6.108 1.00 0.00 N ATOM 313 CA LEU A 20 4.695 4.497 -6.222 1.00 0.00 C ATOM 314 C LEU A 20 5.170 5.021 -4.858 1.00 0.00 C ATOM 315 O LEU A 20 6.372 5.071 -4.593 1.00 0.00 O ATOM 316 CB LEU A 20 4.582 5.623 -7.244 1.00 0.00 C ATOM 317 CG LEU A 20 4.240 5.162 -8.656 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.306 6.324 -9.616 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.159 4.041 -9.093 1.00 0.00 C ATOM 0 H LEU A 20 2.611 4.444 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 20 5.444 3.782 -6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.818 6.325 -6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.526 6.168 -7.272 1.00 0.00 H new ATOM 0 HG LEU A 20 3.221 4.775 -8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.060 5.980 -10.621 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.594 7.090 -9.310 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.313 6.742 -9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.896 3.728 -10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.191 4.390 -9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.052 3.196 -8.412 1.00 0.00 H new ATOM 331 N ASP A 21 4.226 5.401 -3.995 1.00 0.00 N ATOM 332 CA ASP A 21 4.552 5.829 -2.628 1.00 0.00 C ATOM 333 C ASP A 21 4.815 4.623 -1.727 1.00 0.00 C ATOM 334 O ASP A 21 5.659 4.681 -0.833 1.00 0.00 O ATOM 335 CB ASP A 21 3.489 6.778 -2.048 1.00 0.00 C ATOM 336 CG ASP A 21 2.078 6.228 -1.955 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.881 5.151 -1.375 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.150 6.922 -2.442 1.00 0.00 O ATOM 0 H ASP A 21 3.230 5.422 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 21 5.475 6.407 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.806 7.078 -1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.465 7.680 -2.659 1.00 0.00 H new ATOM 343 N ILE A 22 4.134 3.518 -1.991 1.00 0.00 N ATOM 344 CA ILE A 22 4.476 2.247 -1.370 1.00 0.00 C ATOM 345 C ILE A 22 5.874 1.823 -1.794 1.00 0.00 C ATOM 346 O ILE A 22 6.643 1.277 -1.006 1.00 0.00 O ATOM 347 CB ILE A 22 3.446 1.163 -1.752 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.343 1.119 -0.701 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.090 -0.206 -1.937 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.170 0.254 -1.092 1.00 0.00 C ATOM 0 H ILE A 22 3.341 3.476 -2.631 1.00 0.00 H new ATOM 0 HA ILE A 22 4.457 2.369 -0.287 1.00 0.00 H new ATOM 0 HB ILE A 22 3.013 1.429 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.760 0.749 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.990 2.133 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.325 -0.935 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.835 -0.153 -2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.571 -0.510 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.425 0.270 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.727 0.636 -2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.509 -0.770 -1.250 1.00 0.00 H new ATOM 362 N ASN A 23 6.198 2.108 -3.047 1.00 0.00 N ATOM 363 CA ASN A 23 7.508 1.793 -3.595 1.00 0.00 C ATOM 364 C ASN A 23 8.596 2.629 -2.916 1.00 0.00 C ATOM 365 O ASN A 23 9.777 2.287 -2.957 1.00 0.00 O ATOM 366 CB ASN A 23 7.506 2.042 -5.106 1.00 0.00 C ATOM 367 CG ASN A 23 8.833 1.728 -5.773 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.090 0.586 -6.149 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.668 2.740 -5.956 1.00 0.00 N ATOM 0 H ASN A 23 5.566 2.560 -3.707 1.00 0.00 H new ATOM 0 HA ASN A 23 7.725 0.742 -3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.725 1.436 -5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.252 3.085 -5.294 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.561 2.586 -6.424 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.418 3.673 -5.629 1.00 0.00 H new ATOM 376 N LYS A 24 8.184 3.723 -2.286 1.00 0.00 N ATOM 377 CA LYS A 24 9.100 4.612 -1.583 1.00 0.00 C ATOM 378 C LYS A 24 9.434 4.082 -0.192 1.00 0.00 C ATOM 379 O LYS A 24 10.451 4.457 0.394 1.00 0.00 O ATOM 380 CB LYS A 24 8.484 6.003 -1.460 1.00 0.00 C ATOM 381 CG LYS A 24 8.661 6.885 -2.687 1.00 0.00 C ATOM 382 CD LYS A 24 7.890 8.191 -2.538 1.00 0.00 C ATOM 383 CE LYS A 24 8.317 9.233 -3.564 1.00 0.00 C ATOM 384 NZ LYS A 24 9.742 9.620 -3.400 1.00 0.00 N ATOM 0 H LYS A 24 7.208 4.018 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 24 10.022 4.664 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.419 5.897 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.925 6.507 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.719 7.099 -2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.315 6.354 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.823 7.995 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.042 8.588 -1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.161 8.839 -4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.687 10.117 -3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.904 10.546 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.972 9.678 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.350 8.907 -3.852 1.00 0.00 H new ATOM 398 N LEU A 25 8.576 3.219 0.332 1.00 0.00 N ATOM 399 CA LEU A 25 8.756 2.681 1.676 1.00 0.00 C ATOM 400 C LEU A 25 9.919 1.697 1.739 1.00 0.00 C ATOM 401 O LEU A 25 10.101 0.874 0.838 1.00 0.00 O ATOM 402 CB LEU A 25 7.480 1.995 2.161 1.00 0.00 C ATOM 403 CG LEU A 25 6.309 2.925 2.461 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.284 2.187 3.282 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.776 4.153 3.209 1.00 0.00 C ATOM 0 H LEU A 25 7.747 2.875 -0.152 1.00 0.00 H new ATOM 0 HA LEU A 25 8.983 3.524 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.165 1.275 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.713 1.429 3.063 1.00 0.00 H new ATOM 0 HG LEU A 25 5.866 3.246 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.446 2.849 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.928 1.320 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.736 1.857 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.924 4.801 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.236 3.853 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.506 4.692 2.605 1.00 0.00 H new ATOM 417 N PRO A 26 10.739 1.786 2.803 1.00 0.00 N ATOM 418 CA PRO A 26 11.813 0.824 3.041 1.00 0.00 C ATOM 419 C PRO A 26 11.266 -0.533 3.478 1.00 0.00 C ATOM 420 O PRO A 26 10.133 -0.617 3.956 1.00 0.00 O ATOM 421 CB PRO A 26 12.633 1.459 4.166 1.00 0.00 C ATOM 422 CG PRO A 26 11.682 2.363 4.877 1.00 0.00 C ATOM 423 CD PRO A 26 10.690 2.836 3.843 1.00 0.00 C ATOM 0 HA PRO A 26 12.397 0.631 2.141 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.034 0.700 4.839 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.483 2.014 3.769 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.177 1.836 5.687 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.208 3.206 5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.690 2.936 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.965 3.811 3.441 1.00 0.00 H new ATOM 431 N GLY A 27 12.076 -1.577 3.326 1.00 0.00 N ATOM 432 CA GLY A 27 11.625 -2.944 3.556 1.00 0.00 C ATOM 433 C GLY A 27 10.861 -3.137 4.856 1.00 0.00 C ATOM 434 O GLY A 27 9.802 -3.766 4.870 1.00 0.00 O ATOM 0 H GLY A 27 13.053 -1.500 3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.989 -3.250 2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.491 -3.606 3.555 1.00 0.00 H new ATOM 438 N GLU A 28 11.376 -2.586 5.942 1.00 0.00 N ATOM 439 CA GLU A 28 10.753 -2.757 7.248 1.00 0.00 C ATOM 440 C GLU A 28 9.406 -2.027 7.336 1.00 0.00 C ATOM 441 O GLU A 28 8.420 -2.569 7.850 1.00 0.00 O ATOM 442 CB GLU A 28 11.691 -2.321 8.385 1.00 0.00 C ATOM 443 CG GLU A 28 12.544 -1.090 8.112 1.00 0.00 C ATOM 444 CD GLU A 28 13.718 -1.359 7.187 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.756 -1.861 7.664 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.606 -1.069 5.981 1.00 0.00 O ATOM 0 H GLU A 28 12.222 -2.017 5.948 1.00 0.00 H new ATOM 0 HA GLU A 28 10.558 -3.823 7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.089 -2.131 9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.354 -3.153 8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.917 -0.313 7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.919 -0.701 9.058 1.00 0.00 H new ATOM 453 N LYS A 29 9.346 -0.822 6.789 1.00 0.00 N ATOM 454 CA LYS A 29 8.129 -0.017 6.864 1.00 0.00 C ATOM 455 C LYS A 29 7.072 -0.554 5.904 1.00 0.00 C ATOM 456 O LYS A 29 5.872 -0.442 6.149 1.00 0.00 O ATOM 457 CB LYS A 29 8.437 1.443 6.517 1.00 0.00 C ATOM 458 CG LYS A 29 8.682 2.362 7.727 1.00 0.00 C ATOM 459 CD LYS A 29 9.702 1.773 8.702 1.00 0.00 C ATOM 460 CE LYS A 29 10.728 2.798 9.202 1.00 0.00 C ATOM 461 NZ LYS A 29 11.823 2.149 9.968 1.00 0.00 N ATOM 0 H LYS A 29 10.118 -0.380 6.291 1.00 0.00 H new ATOM 0 HA LYS A 29 7.746 -0.073 7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.318 1.470 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.607 1.846 5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.034 3.333 7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.740 2.533 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.174 1.351 9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.227 0.952 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.148 3.337 8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.230 3.534 9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.497 2.872 10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.425 1.655 10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.314 1.464 9.359 1.00 0.00 H new ATOM 475 N LEU A 30 7.519 -1.186 4.835 1.00 0.00 N ATOM 476 CA LEU A 30 6.597 -1.693 3.837 1.00 0.00 C ATOM 477 C LEU A 30 5.980 -3.015 4.283 1.00 0.00 C ATOM 478 O LEU A 30 4.998 -3.481 3.713 1.00 0.00 O ATOM 479 CB LEU A 30 7.284 -1.750 2.459 1.00 0.00 C ATOM 480 CG LEU A 30 7.312 -3.078 1.690 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.957 -2.829 0.345 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.094 -4.156 2.424 1.00 0.00 C ATOM 0 H LEU A 30 8.504 -1.359 4.637 1.00 0.00 H new ATOM 0 HA LEU A 30 5.757 -1.006 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.800 -1.011 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.316 -1.427 2.594 1.00 0.00 H new ATOM 0 HG LEU A 30 6.287 -3.435 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.989 -3.760 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.376 -2.089 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.972 -2.459 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.084 -5.075 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.124 -3.827 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.636 -4.340 3.396 1.00 0.00 H new ATOM 494 N GLY A 31 6.541 -3.602 5.334 1.00 0.00 N ATOM 495 CA GLY A 31 5.914 -4.761 5.940 1.00 0.00 C ATOM 496 C GLY A 31 4.603 -4.382 6.603 1.00 0.00 C ATOM 497 O GLY A 31 3.773 -5.240 6.896 1.00 0.00 O ATOM 0 H GLY A 31 7.410 -3.300 5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.735 -5.522 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.586 -5.199 6.678 1.00 0.00 H new ATOM 501 N ARG A 32 4.421 -3.086 6.855 1.00 0.00 N ATOM 502 CA ARG A 32 3.143 -2.593 7.362 1.00 0.00 C ATOM 503 C ARG A 32 2.066 -2.652 6.291 1.00 0.00 C ATOM 504 O ARG A 32 0.952 -3.080 6.571 1.00 0.00 O ATOM 505 CB ARG A 32 3.239 -1.161 7.871 1.00 0.00 C ATOM 506 CG ARG A 32 1.907 -0.614 8.360 1.00 0.00 C ATOM 507 CD ARG A 32 1.925 -0.351 9.856 1.00 0.00 C ATOM 508 NE ARG A 32 2.117 -1.579 10.627 1.00 0.00 N ATOM 509 CZ ARG A 32 1.268 -2.020 11.555 1.00 0.00 C ATOM 510 NH1 ARG A 32 0.134 -1.367 11.799 1.00 0.00 N ATOM 511 NH2 ARG A 32 1.551 -3.125 12.234 1.00 0.00 N ATOM 0 H ARG A 32 5.132 -2.368 6.718 1.00 0.00 H new ATOM 0 HA ARG A 32 2.877 -3.246 8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.964 -1.118 8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.617 -0.522 7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.676 0.310 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.113 -1.323 8.124 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.724 0.353 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.988 0.120 10.152 1.00 0.00 H new ATOM 0 HE ARG A 32 2.953 -2.133 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.091 -0.522 11.274 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.510 -1.712 12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.415 -3.633 12.045 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.904 -3.466 12.945 1.00 0.00 H new ATOM 525 N VAL A 33 2.382 -2.211 5.075 1.00 0.00 N ATOM 526 CA VAL A 33 1.391 -2.233 3.999 1.00 0.00 C ATOM 527 C VAL A 33 0.912 -3.651 3.755 1.00 0.00 C ATOM 528 O VAL A 33 -0.287 -3.893 3.679 1.00 0.00 O ATOM 529 CB VAL A 33 1.891 -1.614 2.672 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.174 -0.310 2.415 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.380 -1.360 2.672 1.00 0.00 C ATOM 0 H VAL A 33 3.296 -1.841 4.812 1.00 0.00 H new ATOM 0 HA VAL A 33 0.566 -1.607 4.340 1.00 0.00 H new ATOM 0 HB VAL A 33 1.676 -2.337 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.529 0.122 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.101 -0.492 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.373 0.382 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.675 -0.926 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.631 -0.670 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.910 -2.301 2.822 1.00 0.00 H new ATOM 541 N VAL A 34 1.855 -4.580 3.656 1.00 0.00 N ATOM 542 CA VAL A 34 1.528 -6.012 3.607 1.00 0.00 C ATOM 543 C VAL A 34 0.570 -6.378 4.745 1.00 0.00 C ATOM 544 O VAL A 34 -0.391 -7.106 4.537 1.00 0.00 O ATOM 545 CB VAL A 34 2.797 -6.923 3.687 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.048 -6.179 3.268 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.978 -7.552 5.063 1.00 0.00 C ATOM 0 H VAL A 34 2.853 -4.375 3.608 1.00 0.00 H new ATOM 0 HA VAL A 34 1.052 -6.190 2.643 1.00 0.00 H new ATOM 0 HB VAL A 34 2.633 -7.736 2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.908 -6.845 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.939 -5.833 2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.199 -5.322 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.873 -8.174 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.082 -6.766 5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.109 -8.166 5.300 1.00 0.00 H new ATOM 557 N HIS A 35 0.819 -5.835 5.937 1.00 0.00 N ATOM 558 CA HIS A 35 0.024 -6.164 7.111 1.00 0.00 C ATOM 559 C HIS A 35 -1.367 -5.561 6.999 1.00 0.00 C ATOM 560 O HIS A 35 -2.362 -6.248 7.213 1.00 0.00 O ATOM 561 CB HIS A 35 0.725 -5.678 8.384 1.00 0.00 C ATOM 562 CG HIS A 35 -0.013 -6.009 9.644 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.123 -7.210 10.301 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.900 -5.286 10.367 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.647 -7.216 11.371 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.279 -6.059 11.435 1.00 0.00 N ATOM 0 H HIS A 35 1.568 -5.164 6.111 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.078 -7.248 7.168 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.721 -6.119 8.430 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.858 -4.598 8.325 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.245 -4.287 10.145 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.744 -8.029 12.075 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.941 -5.784 12.160 1.00 0.00 H new ATOM 575 N ILE A 36 -1.424 -4.276 6.665 1.00 0.00 N ATOM 576 CA ILE A 36 -2.690 -3.589 6.458 1.00 0.00 C ATOM 577 C ILE A 36 -3.502 -4.327 5.410 1.00 0.00 C ATOM 578 O ILE A 36 -4.663 -4.668 5.621 1.00 0.00 O ATOM 579 CB ILE A 36 -2.472 -2.135 5.987 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.668 -1.372 7.041 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.815 -1.461 5.727 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.137 -0.040 6.570 1.00 0.00 C ATOM 0 H ILE A 36 -0.601 -3.688 6.532 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.221 -3.570 7.410 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.910 -2.134 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.298 -1.210 7.916 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.830 -1.992 7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.650 -0.436 5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.354 -2.010 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.403 -1.455 6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.579 0.435 7.377 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.479 -0.193 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.969 0.601 6.278 1.00 0.00 H new ATOM 594 N ILE A 37 -2.851 -4.592 4.297 1.00 0.00 N ATOM 595 CA ILE A 37 -3.445 -5.303 3.188 1.00 0.00 C ATOM 596 C ILE A 37 -3.924 -6.696 3.603 1.00 0.00 C ATOM 597 O ILE A 37 -5.102 -6.969 3.537 1.00 0.00 O ATOM 598 CB ILE A 37 -2.437 -5.372 2.031 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.344 -4.008 1.357 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.812 -6.449 1.038 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.075 -3.812 0.579 1.00 0.00 C ATOM 0 H ILE A 37 -1.882 -4.316 4.136 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.329 -4.760 2.854 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.458 -5.636 2.432 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.195 -3.883 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.420 -3.230 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.079 -6.472 0.232 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.830 -7.416 1.540 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.798 -6.236 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.075 -2.821 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.220 -3.905 1.248 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.007 -4.568 -0.203 1.00 0.00 H new ATOM 613 N GLN A 38 -3.021 -7.556 4.056 1.00 0.00 N ATOM 614 CA GLN A 38 -3.391 -8.911 4.503 1.00 0.00 C ATOM 615 C GLN A 38 -4.564 -8.899 5.488 1.00 0.00 C ATOM 616 O GLN A 38 -5.421 -9.783 5.454 1.00 0.00 O ATOM 617 CB GLN A 38 -2.205 -9.608 5.181 1.00 0.00 C ATOM 618 CG GLN A 38 -1.080 -9.994 4.247 1.00 0.00 C ATOM 619 CD GLN A 38 0.080 -10.644 4.981 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.237 -10.488 4.603 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.225 -11.396 6.030 1.00 0.00 N ATOM 0 H GLN A 38 -2.025 -7.348 4.127 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.688 -9.454 3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.808 -8.950 5.954 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.567 -10.506 5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.459 -10.681 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.724 -9.107 3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.198 -11.503 6.315 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.514 -11.868 6.552 1.00 0.00 H new ATOM 630 N SER A 39 -4.593 -7.912 6.376 1.00 0.00 N ATOM 631 CA SER A 39 -5.626 -7.846 7.404 1.00 0.00 C ATOM 632 C SER A 39 -6.954 -7.339 6.837 1.00 0.00 C ATOM 633 O SER A 39 -8.021 -7.854 7.174 1.00 0.00 O ATOM 634 CB SER A 39 -5.162 -6.950 8.554 1.00 0.00 C ATOM 635 OG SER A 39 -4.975 -5.608 8.138 1.00 0.00 O ATOM 0 H SER A 39 -3.916 -7.149 6.406 1.00 0.00 H new ATOM 0 HA SER A 39 -5.792 -8.856 7.779 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.898 -6.981 9.358 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.228 -7.337 8.961 1.00 0.00 H new ATOM 0 HG SER A 39 -4.795 -5.586 7.175 1.00 0.00 H new ATOM 641 N ARG A 40 -6.880 -6.330 5.977 1.00 0.00 N ATOM 642 CA ARG A 40 -8.075 -5.733 5.389 1.00 0.00 C ATOM 643 C ARG A 40 -8.526 -6.529 4.172 1.00 0.00 C ATOM 644 O ARG A 40 -9.671 -6.426 3.728 1.00 0.00 O ATOM 645 CB ARG A 40 -7.803 -4.266 5.038 1.00 0.00 C ATOM 646 CG ARG A 40 -7.468 -3.455 6.267 1.00 0.00 C ATOM 647 CD ARG A 40 -7.113 -2.021 5.952 1.00 0.00 C ATOM 648 NE ARG A 40 -8.288 -1.156 5.998 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.350 -0.012 6.685 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.271 0.471 7.298 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.494 0.648 6.761 1.00 0.00 N ATOM 0 H ARG A 40 -6.004 -5.907 5.670 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.888 -5.762 6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.979 -4.208 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.678 -3.840 4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.318 -3.471 6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.633 -3.924 6.788 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.369 -1.664 6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.658 -1.967 4.963 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.114 -1.443 5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.386 -0.033 7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.329 1.345 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.325 0.283 6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.545 1.522 7.285 1.00 0.00 H new ATOM 665 N GLU A 41 -7.611 -7.334 3.660 1.00 0.00 N ATOM 666 CA GLU A 41 -7.879 -8.244 2.562 1.00 0.00 C ATOM 667 C GLU A 41 -7.614 -9.671 3.017 1.00 0.00 C ATOM 668 O GLU A 41 -6.603 -10.267 2.637 1.00 0.00 O ATOM 669 CB GLU A 41 -6.959 -7.951 1.380 1.00 0.00 C ATOM 670 CG GLU A 41 -6.778 -6.484 1.062 1.00 0.00 C ATOM 671 CD GLU A 41 -8.035 -5.822 0.532 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.848 -6.514 -0.124 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.215 -4.608 0.771 1.00 0.00 O ATOM 0 H GLU A 41 -6.650 -7.374 4.000 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.918 -8.115 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.981 -8.387 1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.355 -8.453 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.454 -5.962 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.981 -6.375 0.326 1.00 0.00 H new ATOM 680 N PRO A 42 -8.501 -10.258 3.830 1.00 0.00 N ATOM 681 CA PRO A 42 -8.273 -11.587 4.393 1.00 0.00 C ATOM 682 C PRO A 42 -8.228 -12.670 3.314 1.00 0.00 C ATOM 683 O PRO A 42 -7.859 -13.814 3.578 1.00 0.00 O ATOM 684 CB PRO A 42 -9.468 -11.805 5.332 1.00 0.00 C ATOM 685 CG PRO A 42 -10.073 -10.453 5.524 1.00 0.00 C ATOM 686 CD PRO A 42 -9.785 -9.690 4.265 1.00 0.00 C ATOM 0 HA PRO A 42 -7.311 -11.650 4.902 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.187 -12.499 4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.148 -12.231 6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.146 -10.527 5.699 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.642 -9.952 6.391 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.565 -9.833 3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.712 -8.618 4.449 1.00 0.00 H new ATOM 694 N SER A 43 -8.599 -12.295 2.097 1.00 0.00 N ATOM 695 CA SER A 43 -8.534 -13.195 0.959 1.00 0.00 C ATOM 696 C SER A 43 -7.080 -13.522 0.611 1.00 0.00 C ATOM 697 O SER A 43 -6.793 -14.564 0.027 1.00 0.00 O ATOM 698 CB SER A 43 -9.224 -12.548 -0.240 1.00 0.00 C ATOM 699 OG SER A 43 -10.451 -11.950 0.148 1.00 0.00 O ATOM 0 H SER A 43 -8.951 -11.364 1.874 1.00 0.00 H new ATOM 0 HA SER A 43 -9.042 -14.125 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.570 -11.795 -0.679 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.407 -13.299 -1.009 1.00 0.00 H new ATOM 0 HG SER A 43 -10.877 -11.540 -0.634 1.00 0.00 H new ATOM 705 N LEU A 44 -6.164 -12.634 0.988 1.00 0.00 N ATOM 706 CA LEU A 44 -4.749 -12.837 0.701 1.00 0.00 C ATOM 707 C LEU A 44 -3.957 -13.060 1.989 1.00 0.00 C ATOM 708 O LEU A 44 -2.749 -12.839 2.038 1.00 0.00 O ATOM 709 CB LEU A 44 -4.189 -11.656 -0.117 1.00 0.00 C ATOM 710 CG LEU A 44 -4.330 -10.265 0.484 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.058 -9.858 1.190 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.674 -9.265 -0.606 1.00 0.00 C ATOM 0 H LEU A 44 -6.376 -11.772 1.490 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.643 -13.738 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.130 -11.841 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.681 -11.655 -1.090 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.136 -10.281 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.180 -8.861 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.843 -10.567 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.233 -9.852 0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.774 -8.271 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.881 -9.255 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.614 -9.550 -1.078 1.00 0.00 H new ATOM 724 N LYS A 45 -4.647 -13.540 3.020 1.00 0.00 N ATOM 725 CA LYS A 45 -4.025 -13.797 4.322 1.00 0.00 C ATOM 726 C LYS A 45 -3.019 -14.952 4.247 1.00 0.00 C ATOM 727 O LYS A 45 -2.175 -15.107 5.131 1.00 0.00 O ATOM 728 CB LYS A 45 -5.095 -14.109 5.376 1.00 0.00 C ATOM 729 CG LYS A 45 -5.755 -15.471 5.212 1.00 0.00 C ATOM 730 CD LYS A 45 -6.896 -15.679 6.198 1.00 0.00 C ATOM 731 CE LYS A 45 -6.387 -15.778 7.625 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.312 -14.450 8.297 1.00 0.00 N ATOM 0 H LYS A 45 -5.642 -13.761 2.981 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.487 -12.894 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.641 -14.055 6.365 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.864 -13.338 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.134 -15.569 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.009 -16.254 5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.602 -14.852 6.119 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.440 -16.588 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.043 -16.434 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.399 -16.237 7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.349 -14.297 8.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.549 -13.702 7.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.986 -14.423 9.088 1.00 0.00 H new ATOM 746 N ASN A 46 -3.122 -15.766 3.197 1.00 0.00 N ATOM 747 CA ASN A 46 -2.198 -16.882 2.990 1.00 0.00 C ATOM 748 C ASN A 46 -0.855 -16.374 2.470 1.00 0.00 C ATOM 749 O ASN A 46 0.165 -17.061 2.553 1.00 0.00 O ATOM 750 CB ASN A 46 -2.803 -17.882 1.997 1.00 0.00 C ATOM 751 CG ASN A 46 -1.937 -19.110 1.767 1.00 0.00 C ATOM 752 OD1 ASN A 46 -1.288 -19.600 2.812 1.00 0.00 O flip ATOM 753 ND2 ASN A 46 -1.874 -19.631 0.654 1.00 0.00 N flip ATOM 0 H ASN A 46 -3.837 -15.674 2.475 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.033 -17.382 3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.779 -18.200 2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.968 -17.380 1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.388 -19.226 -0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.308 -20.468 0.514 1.00 0.00 H new ATOM 760 N SER A 47 -0.862 -15.161 1.944 1.00 0.00 N ATOM 761 CA SER A 47 0.339 -14.558 1.388 1.00 0.00 C ATOM 762 C SER A 47 1.308 -14.166 2.501 1.00 0.00 C ATOM 763 O SER A 47 0.913 -13.541 3.485 1.00 0.00 O ATOM 764 CB SER A 47 -0.039 -13.333 0.559 1.00 0.00 C ATOM 765 OG SER A 47 -0.922 -13.686 -0.494 1.00 0.00 O ATOM 0 H SER A 47 -1.692 -14.570 1.890 1.00 0.00 H new ATOM 0 HA SER A 47 0.835 -15.286 0.746 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.510 -12.587 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.861 -12.876 0.147 1.00 0.00 H new ATOM 0 HG SER A 47 -1.152 -12.885 -1.010 1.00 0.00 H new ATOM 771 N ASN A 48 2.569 -14.549 2.350 1.00 0.00 N ATOM 772 CA ASN A 48 3.584 -14.246 3.349 1.00 0.00 C ATOM 773 C ASN A 48 3.929 -12.764 3.320 1.00 0.00 C ATOM 774 O ASN A 48 3.979 -12.149 2.258 1.00 0.00 O ATOM 775 CB ASN A 48 4.842 -15.078 3.102 1.00 0.00 C ATOM 776 CG ASN A 48 4.587 -16.569 3.203 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.225 -17.215 2.221 1.00 0.00 O ATOM 778 ND2 ASN A 48 4.779 -17.128 4.388 1.00 0.00 N ATOM 0 H ASN A 48 2.913 -15.071 1.544 1.00 0.00 H new ATOM 0 HA ASN A 48 3.184 -14.497 4.332 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.237 -14.847 2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.608 -14.795 3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.626 -18.129 4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.080 -16.558 5.178 1.00 0.00 H new ATOM 785 N PRO A 49 4.183 -12.184 4.502 1.00 0.00 N ATOM 786 CA PRO A 49 4.372 -10.736 4.669 1.00 0.00 C ATOM 787 C PRO A 49 5.593 -10.185 3.936 1.00 0.00 C ATOM 788 O PRO A 49 5.670 -8.990 3.662 1.00 0.00 O ATOM 789 CB PRO A 49 4.548 -10.567 6.179 1.00 0.00 C ATOM 790 CG PRO A 49 4.977 -11.899 6.670 1.00 0.00 C ATOM 791 CD PRO A 49 4.297 -12.897 5.785 1.00 0.00 C ATOM 0 HA PRO A 49 3.531 -10.186 4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.293 -9.805 6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.617 -10.254 6.652 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.061 -12.005 6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.692 -12.042 7.712 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.881 -13.812 5.687 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.320 -13.182 6.176 1.00 0.00 H new ATOM 799 N ASP A 50 6.548 -11.047 3.631 1.00 0.00 N ATOM 800 CA ASP A 50 7.745 -10.617 2.917 1.00 0.00 C ATOM 801 C ASP A 50 7.649 -11.010 1.454 1.00 0.00 C ATOM 802 O ASP A 50 8.614 -10.883 0.699 1.00 0.00 O ATOM 803 CB ASP A 50 9.009 -11.226 3.533 1.00 0.00 C ATOM 804 CG ASP A 50 9.179 -10.870 4.995 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.538 -9.713 5.298 1.00 0.00 O ATOM 806 OD2 ASP A 50 8.941 -11.748 5.853 1.00 0.00 O ATOM 0 H ASP A 50 6.522 -12.040 3.862 1.00 0.00 H new ATOM 0 HA ASP A 50 7.812 -9.532 2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.972 -12.310 3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.881 -10.882 2.976 1.00 0.00 H new ATOM 811 N GLU A 51 6.477 -11.496 1.067 1.00 0.00 N ATOM 812 CA GLU A 51 6.230 -11.921 -0.301 1.00 0.00 C ATOM 813 C GLU A 51 4.836 -11.478 -0.715 1.00 0.00 C ATOM 814 O GLU A 51 4.184 -12.119 -1.540 1.00 0.00 O ATOM 815 CB GLU A 51 6.367 -13.449 -0.458 1.00 0.00 C ATOM 816 CG GLU A 51 7.745 -14.022 -0.118 1.00 0.00 C ATOM 817 CD GLU A 51 7.799 -14.689 1.246 1.00 0.00 C ATOM 818 OE1 GLU A 51 8.006 -13.991 2.260 1.00 0.00 O ATOM 819 OE2 GLU A 51 7.657 -15.928 1.310 1.00 0.00 O ATOM 0 H GLU A 51 5.676 -11.606 1.689 1.00 0.00 H new ATOM 0 HA GLU A 51 6.978 -11.459 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.625 -13.931 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.125 -13.715 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.027 -14.748 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.483 -13.220 -0.152 1.00 0.00 H new ATOM 826 N ILE A 52 4.379 -10.382 -0.118 1.00 0.00 N ATOM 827 CA ILE A 52 3.028 -9.908 -0.340 1.00 0.00 C ATOM 828 C ILE A 52 2.851 -9.360 -1.743 1.00 0.00 C ATOM 829 O ILE A 52 3.791 -8.883 -2.377 1.00 0.00 O ATOM 830 CB ILE A 52 2.600 -8.856 0.713 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.101 -8.957 0.985 1.00 0.00 C ATOM 832 CG2 ILE A 52 2.938 -7.446 0.269 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.666 -10.308 1.458 1.00 0.00 C ATOM 0 H ILE A 52 4.929 -9.809 0.522 1.00 0.00 H new ATOM 0 HA ILE A 52 2.374 -10.773 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 52 3.155 -9.068 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.825 -8.214 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.558 -8.708 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.622 -6.738 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.014 -7.360 0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.421 -7.225 -0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.410 -10.304 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.909 -11.054 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.181 -10.552 2.387 1.00 0.00 H new ATOM 845 N GLU A 53 1.633 -9.467 -2.216 1.00 0.00 N ATOM 846 CA GLU A 53 1.269 -8.968 -3.522 1.00 0.00 C ATOM 847 C GLU A 53 0.242 -7.865 -3.332 1.00 0.00 C ATOM 848 O GLU A 53 -0.945 -8.144 -3.149 1.00 0.00 O ATOM 849 CB GLU A 53 0.692 -10.121 -4.364 1.00 0.00 C ATOM 850 CG GLU A 53 0.372 -9.767 -5.809 1.00 0.00 C ATOM 851 CD GLU A 53 1.607 -9.406 -6.604 1.00 0.00 C ATOM 852 OE1 GLU A 53 2.289 -10.337 -7.094 1.00 0.00 O ATOM 853 OE2 GLU A 53 1.893 -8.205 -6.746 1.00 0.00 O ATOM 0 H GLU A 53 0.864 -9.903 -1.706 1.00 0.00 H new ATOM 0 HA GLU A 53 2.137 -8.568 -4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.404 -10.947 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.218 -10.481 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.128 -10.611 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.326 -8.930 -5.829 1.00 0.00 H new ATOM 860 N ILE A 54 0.691 -6.615 -3.324 1.00 0.00 N ATOM 861 CA ILE A 54 -0.219 -5.512 -3.177 1.00 0.00 C ATOM 862 C ILE A 54 -0.987 -5.311 -4.479 1.00 0.00 C ATOM 863 O ILE A 54 -0.467 -4.732 -5.439 1.00 0.00 O ATOM 864 CB ILE A 54 0.519 -4.209 -2.832 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.412 -4.375 -1.599 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.475 -3.093 -2.616 1.00 0.00 C ATOM 867 CD1 ILE A 54 2.026 -3.067 -1.143 1.00 0.00 C ATOM 0 H ILE A 54 1.672 -6.353 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.900 -5.749 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 54 1.165 -3.956 -3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.825 -4.800 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.207 -5.086 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.057 -2.174 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.058 -2.944 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.143 -3.354 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.649 -3.244 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.637 -2.653 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.234 -2.362 -0.889 1.00 0.00 H new ATOM 879 N ASP A 55 -2.215 -5.795 -4.516 1.00 0.00 N ATOM 880 CA ASP A 55 -3.034 -5.687 -5.713 1.00 0.00 C ATOM 881 C ASP A 55 -4.039 -4.558 -5.546 1.00 0.00 C ATOM 882 O ASP A 55 -5.123 -4.747 -4.998 1.00 0.00 O ATOM 883 CB ASP A 55 -3.753 -7.007 -6.001 1.00 0.00 C ATOM 884 CG ASP A 55 -4.458 -6.996 -7.343 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.592 -6.481 -7.421 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.880 -7.502 -8.329 1.00 0.00 O ATOM 0 H ASP A 55 -2.668 -6.266 -3.733 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.387 -5.465 -6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.032 -7.824 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.480 -7.202 -5.213 1.00 0.00 H new ATOM 891 N PHE A 56 -3.665 -3.384 -6.031 1.00 0.00 N ATOM 892 CA PHE A 56 -4.439 -2.164 -5.815 1.00 0.00 C ATOM 893 C PHE A 56 -5.802 -2.206 -6.498 1.00 0.00 C ATOM 894 O PHE A 56 -6.664 -1.368 -6.234 1.00 0.00 O ATOM 895 CB PHE A 56 -3.650 -0.959 -6.310 1.00 0.00 C ATOM 896 CG PHE A 56 -2.337 -0.786 -5.611 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.291 -0.205 -4.362 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.155 -1.208 -6.191 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.107 -0.037 -3.701 1.00 0.00 C ATOM 900 CE2 PHE A 56 0.044 -1.044 -5.529 1.00 0.00 C ATOM 901 CZ PHE A 56 0.064 -0.454 -4.280 1.00 0.00 C ATOM 0 H PHE A 56 -2.819 -3.247 -6.584 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.618 -2.081 -4.743 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.473 -1.063 -7.381 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.249 -0.059 -6.172 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.209 0.124 -3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.171 -1.669 -7.168 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.093 0.423 -2.724 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.965 -1.376 -5.986 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.001 -0.321 -3.760 1.00 0.00 H new ATOM 911 N GLU A 57 -5.995 -3.183 -7.366 1.00 0.00 N ATOM 912 CA GLU A 57 -7.241 -3.319 -8.096 1.00 0.00 C ATOM 913 C GLU A 57 -8.261 -4.100 -7.277 1.00 0.00 C ATOM 914 O GLU A 57 -9.462 -4.041 -7.540 1.00 0.00 O ATOM 915 CB GLU A 57 -6.971 -4.014 -9.428 1.00 0.00 C ATOM 916 CG GLU A 57 -6.097 -3.199 -10.370 1.00 0.00 C ATOM 917 CD GLU A 57 -6.804 -1.987 -10.947 1.00 0.00 C ATOM 918 OE1 GLU A 57 -7.441 -1.226 -10.184 1.00 0.00 O ATOM 919 OE2 GLU A 57 -6.714 -1.782 -12.177 1.00 0.00 O ATOM 0 H GLU A 57 -5.300 -3.897 -7.583 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.656 -2.329 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.490 -4.974 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.921 -4.225 -9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.206 -2.871 -9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.761 -3.838 -11.187 1.00 0.00 H new ATOM 926 N THR A 58 -7.779 -4.833 -6.284 1.00 0.00 N ATOM 927 CA THR A 58 -8.658 -5.585 -5.407 1.00 0.00 C ATOM 928 C THR A 58 -8.687 -4.994 -4.001 1.00 0.00 C ATOM 929 O THR A 58 -9.671 -5.155 -3.283 1.00 0.00 O ATOM 930 CB THR A 58 -8.254 -7.066 -5.348 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.851 -7.181 -5.091 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.594 -7.764 -6.655 1.00 0.00 C ATOM 0 H THR A 58 -6.786 -4.922 -6.067 1.00 0.00 H new ATOM 0 HA THR A 58 -9.661 -5.516 -5.827 1.00 0.00 H new ATOM 0 HB THR A 58 -8.809 -7.543 -4.540 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.349 -6.792 -5.837 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.301 -8.812 -6.595 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.667 -7.697 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.058 -7.284 -7.474 1.00 0.00 H new ATOM 940 N LEU A 59 -7.606 -4.305 -3.621 1.00 0.00 N ATOM 941 CA LEU A 59 -7.531 -3.630 -2.326 1.00 0.00 C ATOM 942 C LEU A 59 -8.733 -2.722 -2.113 1.00 0.00 C ATOM 943 O LEU A 59 -9.107 -1.952 -3.003 1.00 0.00 O ATOM 944 CB LEU A 59 -6.253 -2.819 -2.228 1.00 0.00 C ATOM 945 CG LEU A 59 -4.989 -3.660 -2.216 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.768 -2.789 -2.069 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.057 -4.685 -1.101 1.00 0.00 C ATOM 0 H LEU A 59 -6.770 -4.201 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.532 -4.394 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.209 -2.126 -3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.285 -2.217 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.912 -4.186 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.874 -3.413 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.717 -2.090 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.828 -2.233 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.146 -5.283 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.156 -4.175 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.918 -5.335 -1.257 1.00 0.00 H new ATOM 959 N LYS A 60 -9.349 -2.837 -0.947 1.00 0.00 N ATOM 960 CA LYS A 60 -10.473 -1.987 -0.589 1.00 0.00 C ATOM 961 C LYS A 60 -10.031 -0.529 -0.557 1.00 0.00 C ATOM 962 O LYS A 60 -8.895 -0.236 -0.177 1.00 0.00 O ATOM 963 CB LYS A 60 -11.030 -2.386 0.782 1.00 0.00 C ATOM 964 CG LYS A 60 -11.618 -3.781 0.825 1.00 0.00 C ATOM 965 CD LYS A 60 -11.997 -4.191 2.231 1.00 0.00 C ATOM 966 CE LYS A 60 -12.416 -5.648 2.278 1.00 0.00 C ATOM 967 NZ LYS A 60 -12.587 -6.138 3.670 1.00 0.00 N ATOM 0 H LYS A 60 -9.088 -3.514 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.255 -2.112 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.232 -2.316 1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.798 -1.670 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.499 -3.823 0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.896 -4.492 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.152 -4.030 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.812 -3.563 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.352 -5.773 1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.668 -6.256 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.167 -7.001 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.655 -6.349 4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.059 -5.407 4.240 1.00 0.00 H new ATOM 981 N PRO A 61 -10.905 0.403 -0.982 1.00 0.00 N ATOM 982 CA PRO A 61 -10.643 1.836 -0.876 1.00 0.00 C ATOM 983 C PRO A 61 -10.134 2.224 0.505 1.00 0.00 C ATOM 984 O PRO A 61 -9.297 3.112 0.644 1.00 0.00 O ATOM 985 CB PRO A 61 -12.007 2.468 -1.138 1.00 0.00 C ATOM 986 CG PRO A 61 -12.702 1.502 -2.022 1.00 0.00 C ATOM 987 CD PRO A 61 -12.191 0.129 -1.647 1.00 0.00 C ATOM 0 HA PRO A 61 -9.869 2.163 -1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.557 2.623 -0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.907 3.442 -1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.782 1.563 -1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.497 1.719 -3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.883 -0.388 -0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.061 -0.503 -2.525 1.00 0.00 H new ATOM 995 N SER A 62 -10.636 1.533 1.520 1.00 0.00 N ATOM 996 CA SER A 62 -10.216 1.763 2.892 1.00 0.00 C ATOM 997 C SER A 62 -8.746 1.384 3.073 1.00 0.00 C ATOM 998 O SER A 62 -7.974 2.148 3.652 1.00 0.00 O ATOM 999 CB SER A 62 -11.108 0.949 3.848 1.00 0.00 C ATOM 1000 OG SER A 62 -11.074 -0.429 3.519 1.00 0.00 O ATOM 0 H SER A 62 -11.341 0.803 1.415 1.00 0.00 H new ATOM 0 HA SER A 62 -10.322 2.823 3.124 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.772 1.090 4.875 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.133 1.315 3.795 1.00 0.00 H new ATOM 0 HG SER A 62 -11.646 -0.928 4.139 1.00 0.00 H new ATOM 1006 N THR A 63 -8.361 0.213 2.566 1.00 0.00 N ATOM 1007 CA THR A 63 -6.970 -0.210 2.613 1.00 0.00 C ATOM 1008 C THR A 63 -6.114 0.771 1.840 1.00 0.00 C ATOM 1009 O THR A 63 -5.132 1.268 2.360 1.00 0.00 O ATOM 1010 CB THR A 63 -6.770 -1.626 2.025 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.916 -2.434 2.321 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.520 -2.298 2.594 1.00 0.00 C ATOM 0 H THR A 63 -8.992 -0.453 2.121 1.00 0.00 H new ATOM 0 HA THR A 63 -6.673 -0.236 3.661 1.00 0.00 H new ATOM 0 HB THR A 63 -6.645 -1.528 0.947 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.953 -3.190 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.411 -3.291 2.159 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.643 -1.698 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.614 -2.385 3.676 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.523 1.077 0.612 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.764 1.974 -0.251 1.00 0.00 C ATOM 1022 C LEU A 64 -5.546 3.330 0.411 1.00 0.00 C ATOM 1023 O LEU A 64 -4.432 3.852 0.410 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.476 2.152 -1.590 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.582 0.894 -2.443 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.423 1.158 -3.677 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.197 0.426 -2.840 1.00 0.00 C ATOM 0 H LEU A 64 -7.379 0.715 0.192 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.787 1.522 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.481 2.529 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.951 2.917 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.068 0.112 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.488 0.249 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.424 1.467 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.962 1.949 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.278 -0.474 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.699 1.209 -3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.617 0.206 -1.944 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.606 3.899 0.979 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.494 5.172 1.677 1.00 0.00 C ATOM 1041 C ARG A 65 -5.577 5.033 2.885 1.00 0.00 C ATOM 1042 O ARG A 65 -4.841 5.960 3.222 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.871 5.685 2.103 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.755 6.134 0.944 1.00 0.00 C ATOM 1045 CD ARG A 65 -8.180 7.349 0.228 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.930 7.695 -0.980 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.484 8.542 -1.914 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.324 9.164 -1.755 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.194 8.772 -3.009 1.00 0.00 N ATOM 0 H ARG A 65 -7.545 3.501 0.969 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.061 5.901 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.385 4.898 2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.739 6.521 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.867 5.314 0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.751 6.371 1.318 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.180 8.201 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.141 7.152 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.845 7.266 -1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.767 8.998 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.989 9.809 -2.471 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.089 8.301 -3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.846 9.420 -3.716 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.601 3.862 3.512 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.723 3.577 4.631 1.00 0.00 C ATOM 1065 C GLU A 66 -3.273 3.462 4.163 1.00 0.00 C ATOM 1066 O GLU A 66 -2.409 4.159 4.675 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.164 2.290 5.328 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.264 1.880 6.474 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.219 2.913 7.579 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.300 3.339 8.041 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.112 3.306 7.989 1.00 0.00 O ATOM 0 H GLU A 66 -6.223 3.094 3.260 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.786 4.401 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.179 2.420 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.196 1.483 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.612 0.931 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.255 1.713 6.097 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.025 2.579 3.191 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.695 2.400 2.597 1.00 0.00 C ATOM 1080 C LEU A 67 -1.093 3.756 2.230 1.00 0.00 C ATOM 1081 O LEU A 67 0.020 4.076 2.641 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.800 1.505 1.349 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.694 0.280 1.518 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.880 -0.421 0.196 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.099 -0.683 2.525 1.00 0.00 C ATOM 0 H LEU A 67 -3.739 1.968 2.794 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.041 1.918 3.324 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.179 2.103 0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.800 1.173 1.071 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.664 0.618 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.520 -1.293 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.344 0.262 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.910 -0.740 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.752 -1.549 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.117 -1.009 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.999 -0.185 3.489 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.857 4.563 1.496 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.407 5.893 1.087 1.00 0.00 C ATOM 1099 C GLU A 68 -1.102 6.776 2.301 1.00 0.00 C ATOM 1100 O GLU A 68 0.018 7.243 2.474 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.467 6.575 0.224 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.021 7.923 -0.311 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.145 8.707 -0.950 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.047 9.164 -0.218 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.111 8.906 -2.181 1.00 0.00 O ATOM 0 H GLU A 68 -2.793 4.319 1.172 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.492 5.764 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.720 5.924 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.376 6.706 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.595 8.508 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.228 7.773 -1.044 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.106 7.002 3.142 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.944 7.829 4.340 1.00 0.00 C ATOM 1114 C ARG A 69 -0.840 7.290 5.240 1.00 0.00 C ATOM 1115 O ARG A 69 -0.195 8.035 5.980 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.257 7.867 5.109 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.217 8.959 4.665 1.00 0.00 C ATOM 1118 CD ARG A 69 -4.086 10.208 5.524 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.798 10.884 5.354 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.104 11.427 6.354 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -2.526 11.306 7.608 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -0.980 12.082 6.098 1.00 0.00 N ATOM 0 H ARG A 69 -3.045 6.624 3.018 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.664 8.835 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.752 6.901 5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.039 8.001 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.023 9.212 3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.240 8.587 4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.890 10.901 5.274 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.213 9.937 6.572 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.408 10.943 4.413 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.386 10.795 7.810 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.990 11.724 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.648 12.169 5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.447 12.498 6.862 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.613 5.998 5.168 1.00 0.00 N ATOM 1137 CA TYR A 70 0.419 5.382 5.961 1.00 0.00 C ATOM 1138 C TYR A 70 1.783 5.783 5.432 1.00 0.00 C ATOM 1139 O TYR A 70 2.631 6.272 6.184 1.00 0.00 O ATOM 1140 CB TYR A 70 0.285 3.867 5.959 1.00 0.00 C ATOM 1141 CG TYR A 70 1.518 3.205 6.485 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.951 3.425 7.786 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.273 2.402 5.663 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.112 2.851 8.251 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.436 1.828 6.111 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.858 2.057 7.411 1.00 0.00 C ATOM 1147 OH TYR A 70 5.029 1.500 7.870 1.00 0.00 O ATOM 0 H TYR A 70 -1.131 5.356 4.568 1.00 0.00 H new ATOM 0 HA TYR A 70 0.311 5.729 6.989 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.572 3.576 6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.089 3.520 4.944 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.369 4.055 8.442 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.946 2.220 4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.435 3.022 9.267 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.020 1.201 5.454 1.00 0.00 H new ATOM 0 HH TYR A 70 5.376 0.872 7.203 1.00 0.00 H new ATOM 1157 N VAL A 71 1.992 5.606 4.133 1.00 0.00 N ATOM 1158 CA VAL A 71 3.267 5.954 3.538 1.00 0.00 C ATOM 1159 C VAL A 71 3.527 7.434 3.743 1.00 0.00 C ATOM 1160 O VAL A 71 4.656 7.839 3.947 1.00 0.00 O ATOM 1161 CB VAL A 71 3.350 5.655 2.024 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.887 4.256 1.692 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.577 6.662 1.216 1.00 0.00 C ATOM 0 H VAL A 71 1.303 5.229 3.483 1.00 0.00 H new ATOM 0 HA VAL A 71 4.015 5.335 4.034 1.00 0.00 H new ATOM 0 HB VAL A 71 4.404 5.732 1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.964 4.093 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.513 3.532 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.850 4.132 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.659 6.419 0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.529 6.640 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.983 7.658 1.392 1.00 0.00 H new ATOM 1173 N THR A 72 2.465 8.237 3.723 1.00 0.00 N ATOM 1174 CA THR A 72 2.621 9.677 3.811 1.00 0.00 C ATOM 1175 C THR A 72 3.192 10.084 5.160 1.00 0.00 C ATOM 1176 O THR A 72 3.851 11.112 5.279 1.00 0.00 O ATOM 1177 CB THR A 72 1.309 10.434 3.548 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.301 10.075 4.493 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.829 10.132 2.151 1.00 0.00 C ATOM 0 H THR A 72 1.500 7.915 3.647 1.00 0.00 H new ATOM 0 HA THR A 72 3.323 9.955 3.025 1.00 0.00 H new ATOM 0 HB THR A 72 1.502 11.501 3.654 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.622 9.334 5.048 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.101 10.668 1.962 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.583 10.449 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.658 9.060 2.049 1.00 0.00 H new ATOM 1187 N SER A 73 2.964 9.255 6.168 1.00 0.00 N ATOM 1188 CA SER A 73 3.525 9.502 7.483 1.00 0.00 C ATOM 1189 C SER A 73 5.040 9.285 7.442 1.00 0.00 C ATOM 1190 O SER A 73 5.788 9.830 8.252 1.00 0.00 O ATOM 1191 CB SER A 73 2.857 8.589 8.517 1.00 0.00 C ATOM 1192 OG SER A 73 3.356 7.262 8.456 1.00 0.00 O ATOM 0 H SER A 73 2.397 8.410 6.099 1.00 0.00 H new ATOM 0 HA SER A 73 3.335 10.534 7.777 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.021 8.992 9.516 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.780 8.579 8.350 1.00 0.00 H new ATOM 0 HG SER A 73 3.356 6.955 7.525 1.00 0.00 H new ATOM 1198 N CYS A 74 5.474 8.494 6.464 1.00 0.00 N ATOM 1199 CA CYS A 74 6.893 8.190 6.274 1.00 0.00 C ATOM 1200 C CYS A 74 7.505 9.056 5.164 1.00 0.00 C ATOM 1201 O CYS A 74 8.690 9.391 5.202 1.00 0.00 O ATOM 1202 CB CYS A 74 7.073 6.694 5.958 1.00 0.00 C ATOM 1203 SG CYS A 74 8.779 6.190 5.651 1.00 0.00 S ATOM 0 H CYS A 74 4.858 8.048 5.784 1.00 0.00 H new ATOM 0 HA CYS A 74 7.419 8.422 7.200 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.680 6.111 6.791 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.472 6.446 5.083 1.00 0.00 H new ATOM 0 HG CYS A 74 9.494 7.235 5.358 1.00 0.00 H new ATOM 1209 N LEU A 75 6.685 9.428 4.188 1.00 0.00 N ATOM 1210 CA LEU A 75 7.157 10.104 2.988 1.00 0.00 C ATOM 1211 C LEU A 75 6.931 11.611 3.048 1.00 0.00 C ATOM 1212 O LEU A 75 7.786 12.391 2.634 1.00 0.00 O ATOM 1213 CB LEU A 75 6.436 9.519 1.771 1.00 0.00 C ATOM 1214 CG LEU A 75 6.528 8.004 1.633 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.985 7.571 0.285 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.965 7.534 1.815 1.00 0.00 C ATOM 0 H LEU A 75 5.678 9.270 4.207 1.00 0.00 H new ATOM 0 HA LEU A 75 8.232 9.943 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.384 9.801 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.846 9.976 0.870 1.00 0.00 H new ATOM 0 HG LEU A 75 5.923 7.544 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.055 6.487 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.942 7.876 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.567 8.039 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.009 6.450 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.598 7.996 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.318 7.820 2.806 1.00 0.00 H new