USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 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 174:sc= -3.81 (180deg=-4.3) USER MOD Single : A 11 SER OG : rot -71:sc= 0.491 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 1.28 (180deg=1.27) USER MOD Single : A 17 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.36) USER MOD Single : A 19 SER OG : rot -45:sc= 1.24 USER MOD Single : A 23 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.025) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= -0.083 (180deg=-0.5) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.114) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -2.72 K(o=-2.7,f=-4.8!) USER MOD Single : A 39 SER OG : rot -84:sc= 1.1 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00292 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.352 K(o=-0.35,f=-6.7!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 58 THR OG1 : rot -71:sc= 0.866 USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= 0.846 (180deg=0.529) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 158:sc= 0.965 USER MOD Single : A 70 TYR OH : rot 179:sc= 1.16 USER MOD Single : A 72 THR OG1 : rot -9:sc= 1.23 USER MOD Single : A 73 SER OG : rot -53:sc= 1.28 USER MOD Single : A 74 CYS SG : rot -20:sc= 0.231 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.041 7.097 -2.249 1.00 0.00 N ATOM 127 CA PRO A 9 -12.756 6.147 -3.314 1.00 0.00 C ATOM 128 C PRO A 9 -11.498 6.545 -4.079 1.00 0.00 C ATOM 129 O PRO A 9 -11.436 7.624 -4.673 1.00 0.00 O ATOM 130 CB PRO A 9 -13.999 6.222 -4.204 1.00 0.00 C ATOM 131 CG PRO A 9 -14.585 7.576 -3.968 1.00 0.00 C ATOM 132 CD PRO A 9 -14.126 8.029 -2.597 1.00 0.00 C ATOM 0 HA PRO A 9 -12.564 5.139 -2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.738 6.086 -5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.711 5.437 -3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.256 8.277 -4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.673 7.538 -4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.773 9.060 -2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.938 7.983 -1.871 1.00 0.00 H new ATOM 140 N MET A 10 -10.492 5.687 -4.045 1.00 0.00 N ATOM 141 CA MET A 10 -9.203 6.007 -4.643 1.00 0.00 C ATOM 142 C MET A 10 -9.276 5.875 -6.160 1.00 0.00 C ATOM 143 O MET A 10 -9.690 4.839 -6.682 1.00 0.00 O ATOM 144 CB MET A 10 -8.106 5.091 -4.098 1.00 0.00 C ATOM 145 CG MET A 10 -6.708 5.501 -4.530 1.00 0.00 C ATOM 146 SD MET A 10 -5.948 6.696 -3.425 1.00 0.00 S ATOM 147 CE MET A 10 -5.857 5.738 -1.926 1.00 0.00 C ATOM 0 H MET A 10 -10.541 4.765 -3.611 1.00 0.00 H new ATOM 0 HA MET A 10 -8.958 7.037 -4.383 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.155 5.086 -3.009 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.296 4.071 -4.431 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.077 4.614 -4.585 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.754 5.922 -5.534 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.311 6.300 -1.168 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.864 5.528 -1.567 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.340 4.799 -2.125 1.00 0.00 H new ATOM 157 N SER A 11 -8.876 6.924 -6.861 1.00 0.00 N ATOM 158 CA SER A 11 -8.961 6.944 -8.313 1.00 0.00 C ATOM 159 C SER A 11 -7.765 6.228 -8.959 1.00 0.00 C ATOM 160 O SER A 11 -6.830 5.827 -8.260 1.00 0.00 O ATOM 161 CB SER A 11 -9.057 8.392 -8.802 1.00 0.00 C ATOM 162 OG SER A 11 -8.020 9.189 -8.250 1.00 0.00 O ATOM 0 H SER A 11 -8.489 7.773 -6.448 1.00 0.00 H new ATOM 0 HA SER A 11 -9.859 6.404 -8.613 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.998 8.416 -9.890 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.026 8.809 -8.526 1.00 0.00 H new ATOM 0 HG SER A 11 -8.189 9.330 -7.295 1.00 0.00 H new ATOM 168 N TYR A 12 -7.788 6.076 -10.284 1.00 0.00 N ATOM 169 CA TYR A 12 -6.736 5.363 -11.006 1.00 0.00 C ATOM 170 C TYR A 12 -5.379 6.052 -10.830 1.00 0.00 C ATOM 171 O TYR A 12 -4.384 5.407 -10.484 1.00 0.00 O ATOM 172 CB TYR A 12 -7.131 5.238 -12.491 1.00 0.00 C ATOM 173 CG TYR A 12 -6.020 5.508 -13.491 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.988 4.602 -13.681 1.00 0.00 C ATOM 175 CD2 TYR A 12 -6.019 6.670 -14.253 1.00 0.00 C ATOM 176 CE1 TYR A 12 -3.985 4.845 -14.598 1.00 0.00 C ATOM 177 CE2 TYR A 12 -5.020 6.921 -15.171 1.00 0.00 C ATOM 178 CZ TYR A 12 -4.005 6.007 -15.339 1.00 0.00 C ATOM 179 OH TYR A 12 -3.007 6.252 -16.255 1.00 0.00 O ATOM 0 H TYR A 12 -8.530 6.441 -10.882 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.630 4.361 -10.591 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.514 4.232 -12.663 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.950 5.929 -12.690 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.968 3.691 -13.102 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -6.814 7.389 -14.124 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.189 4.128 -14.734 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.035 7.830 -15.754 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.170 7.113 -16.694 1.00 0.00 H new ATOM 189 N GLU A 13 -5.359 7.362 -11.047 1.00 0.00 N ATOM 190 CA GLU A 13 -4.148 8.165 -10.879 1.00 0.00 C ATOM 191 C GLU A 13 -3.604 8.027 -9.464 1.00 0.00 C ATOM 192 O GLU A 13 -2.391 7.989 -9.249 1.00 0.00 O ATOM 193 CB GLU A 13 -4.476 9.635 -11.165 1.00 0.00 C ATOM 194 CG GLU A 13 -4.756 9.931 -12.633 1.00 0.00 C ATOM 195 CD GLU A 13 -3.487 10.169 -13.420 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.701 11.054 -13.030 1.00 0.00 O ATOM 197 OE2 GLU A 13 -3.259 9.474 -14.432 1.00 0.00 O ATOM 0 H GLU A 13 -6.175 7.897 -11.343 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.388 7.811 -11.576 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.345 9.925 -10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.643 10.254 -10.832 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.303 9.097 -13.072 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.398 10.808 -12.709 1.00 0.00 H new ATOM 204 N GLU A 14 -4.517 7.926 -8.512 1.00 0.00 N ATOM 205 CA GLU A 14 -4.160 7.841 -7.115 1.00 0.00 C ATOM 206 C GLU A 14 -3.598 6.469 -6.773 1.00 0.00 C ATOM 207 O GLU A 14 -2.577 6.371 -6.107 1.00 0.00 O ATOM 208 CB GLU A 14 -5.371 8.144 -6.250 1.00 0.00 C ATOM 209 CG GLU A 14 -5.707 9.622 -6.143 1.00 0.00 C ATOM 210 CD GLU A 14 -6.833 9.887 -5.165 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.979 9.461 -5.433 1.00 0.00 O ATOM 212 OE2 GLU A 14 -6.582 10.525 -4.119 1.00 0.00 O ATOM 0 H GLU A 14 -5.521 7.901 -8.690 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.384 8.580 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.234 7.615 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.196 7.749 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.820 10.172 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.986 10.001 -7.126 1.00 0.00 H new ATOM 219 N LYS A 15 -4.267 5.413 -7.232 1.00 0.00 N ATOM 220 CA LYS A 15 -3.777 4.045 -7.024 1.00 0.00 C ATOM 221 C LYS A 15 -2.370 3.886 -7.595 1.00 0.00 C ATOM 222 O LYS A 15 -1.525 3.205 -7.012 1.00 0.00 O ATOM 223 CB LYS A 15 -4.699 3.009 -7.661 1.00 0.00 C ATOM 224 CG LYS A 15 -6.016 2.829 -6.949 1.00 0.00 C ATOM 225 CD LYS A 15 -7.069 2.342 -7.912 1.00 0.00 C ATOM 226 CE LYS A 15 -8.085 1.472 -7.211 1.00 0.00 C ATOM 227 NZ LYS A 15 -9.015 0.821 -8.168 1.00 0.00 N ATOM 0 H LYS A 15 -5.145 5.474 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.758 3.873 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.894 3.299 -8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.182 2.050 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.902 2.115 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.329 3.774 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.570 3.195 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.597 1.779 -8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.569 0.708 -6.630 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.655 2.077 -6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.510 0.039 -7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.710 1.517 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.477 0.450 -8.977 1.00 0.00 H new ATOM 241 N ARG A 16 -2.125 4.514 -8.743 1.00 0.00 N ATOM 242 CA ARG A 16 -0.798 4.511 -9.343 1.00 0.00 C ATOM 243 C ARG A 16 0.198 5.207 -8.427 1.00 0.00 C ATOM 244 O ARG A 16 1.246 4.651 -8.101 1.00 0.00 O ATOM 245 CB ARG A 16 -0.801 5.205 -10.702 1.00 0.00 C ATOM 246 CG ARG A 16 0.580 5.262 -11.318 1.00 0.00 C ATOM 247 CD ARG A 16 0.669 6.286 -12.419 1.00 0.00 C ATOM 248 NE ARG A 16 0.410 7.637 -11.922 1.00 0.00 N ATOM 249 CZ ARG A 16 -0.514 8.445 -12.428 1.00 0.00 C ATOM 250 NH1 ARG A 16 -1.240 8.053 -13.467 1.00 0.00 N ATOM 251 NH2 ARG A 16 -0.709 9.648 -11.901 1.00 0.00 N ATOM 0 H ARG A 16 -2.828 5.029 -9.273 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.504 3.471 -9.483 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.476 4.677 -11.376 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.189 6.217 -10.590 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.312 5.497 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.840 4.281 -11.715 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.660 6.248 -12.872 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.049 6.042 -13.202 1.00 0.00 H new ATOM 0 HE ARG A 16 0.972 7.978 -11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.088 7.131 -13.877 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.950 8.673 -13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.148 9.953 -11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.420 10.267 -12.292 1.00 0.00 H new ATOM 265 N GLN A 17 -0.143 6.423 -8.015 1.00 0.00 N ATOM 266 CA GLN A 17 0.704 7.202 -7.123 1.00 0.00 C ATOM 267 C GLN A 17 0.938 6.438 -5.825 1.00 0.00 C ATOM 268 O GLN A 17 2.029 6.461 -5.265 1.00 0.00 O ATOM 269 CB GLN A 17 0.060 8.558 -6.839 1.00 0.00 C ATOM 270 CG GLN A 17 1.012 9.555 -6.205 1.00 0.00 C ATOM 271 CD GLN A 17 2.174 9.902 -7.115 1.00 0.00 C ATOM 272 OE1 GLN A 17 3.232 9.273 -7.062 1.00 0.00 O ATOM 273 NE2 GLN A 17 1.977 10.889 -7.970 1.00 0.00 N ATOM 0 H GLN A 17 -1.007 6.892 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 17 1.667 7.371 -7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.322 8.973 -7.772 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.796 8.415 -6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.467 10.465 -5.953 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.395 9.144 -5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.085 11.384 -7.981 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.717 11.156 -8.620 1.00 0.00 H new ATOM 282 N LEU A 18 -0.104 5.752 -5.385 1.00 0.00 N ATOM 283 CA LEU A 18 -0.066 4.902 -4.200 1.00 0.00 C ATOM 284 C LEU A 18 0.973 3.797 -4.374 1.00 0.00 C ATOM 285 O LEU A 18 1.828 3.580 -3.522 1.00 0.00 O ATOM 286 CB LEU A 18 -1.450 4.288 -4.003 1.00 0.00 C ATOM 287 CG LEU A 18 -1.861 3.898 -2.586 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.159 3.131 -2.648 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.802 3.076 -1.878 1.00 0.00 C ATOM 0 H LEU A 18 -1.014 5.768 -5.845 1.00 0.00 H new ATOM 0 HA LEU A 18 0.209 5.496 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.187 4.995 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.513 3.397 -4.627 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.985 4.813 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.462 2.847 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.930 3.757 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.023 2.234 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.146 2.826 -0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.619 2.159 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.121 3.651 -1.812 1.00 0.00 H new ATOM 301 N SER A 19 0.903 3.100 -5.492 1.00 0.00 N ATOM 302 CA SER A 19 1.821 2.009 -5.758 1.00 0.00 C ATOM 303 C SER A 19 3.259 2.527 -5.810 1.00 0.00 C ATOM 304 O SER A 19 4.221 1.793 -5.558 1.00 0.00 O ATOM 305 CB SER A 19 1.427 1.321 -7.067 1.00 0.00 C ATOM 306 OG SER A 19 1.957 1.996 -8.198 1.00 0.00 O ATOM 0 H SER A 19 0.220 3.270 -6.231 1.00 0.00 H new ATOM 0 HA SER A 19 1.764 1.277 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.784 0.291 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.340 1.281 -7.144 1.00 0.00 H new ATOM 0 HG SER A 19 1.813 2.960 -8.101 1.00 0.00 H new ATOM 312 N LEU A 20 3.384 3.815 -6.097 1.00 0.00 N ATOM 313 CA LEU A 20 4.676 4.467 -6.203 1.00 0.00 C ATOM 314 C LEU A 20 5.141 4.996 -4.841 1.00 0.00 C ATOM 315 O LEU A 20 6.339 5.020 -4.555 1.00 0.00 O ATOM 316 CB LEU A 20 4.594 5.585 -7.235 1.00 0.00 C ATOM 317 CG LEU A 20 4.236 5.123 -8.644 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.355 6.269 -9.619 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.107 3.957 -9.068 1.00 0.00 C ATOM 0 H LEU A 20 2.591 4.435 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 20 5.418 3.739 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.852 6.312 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.553 6.102 -7.269 1.00 0.00 H new ATOM 0 HG LEU A 20 3.201 4.782 -8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.096 5.923 -10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.676 7.069 -9.325 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.379 6.643 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.833 3.646 -10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.154 4.261 -9.054 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.962 3.125 -8.379 1.00 0.00 H new ATOM 331 N ASP A 21 4.193 5.412 -4.000 1.00 0.00 N ATOM 332 CA ASP A 21 4.508 5.854 -2.639 1.00 0.00 C ATOM 333 C ASP A 21 4.786 4.655 -1.730 1.00 0.00 C ATOM 334 O ASP A 21 5.644 4.721 -0.849 1.00 0.00 O ATOM 335 CB ASP A 21 3.421 6.784 -2.073 1.00 0.00 C ATOM 336 CG ASP A 21 2.039 6.178 -1.924 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.905 5.104 -1.318 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.067 6.828 -2.372 1.00 0.00 O ATOM 0 H ASP A 21 3.202 5.452 -4.236 1.00 0.00 H new ATOM 0 HA ASP A 21 5.421 6.448 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.748 7.139 -1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.345 7.658 -2.720 1.00 0.00 H new ATOM 343 N ILE A 22 4.098 3.549 -1.976 1.00 0.00 N ATOM 344 CA ILE A 22 4.432 2.285 -1.341 1.00 0.00 C ATOM 345 C ILE A 22 5.835 1.856 -1.745 1.00 0.00 C ATOM 346 O ILE A 22 6.607 1.337 -0.939 1.00 0.00 O ATOM 347 CB ILE A 22 3.405 1.203 -1.730 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.274 1.181 -0.710 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.045 -0.173 -1.873 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.102 0.321 -1.122 1.00 0.00 C ATOM 0 H ILE A 22 3.303 3.503 -2.613 1.00 0.00 H new ATOM 0 HA ILE A 22 4.403 2.414 -0.259 1.00 0.00 H new ATOM 0 HB ILE A 22 2.999 1.458 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.662 0.819 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.925 2.200 -0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.283 -0.902 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.811 -0.139 -2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.500 -0.463 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.336 0.354 -0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.687 0.695 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.436 -0.708 -1.259 1.00 0.00 H new ATOM 362 N ASN A 23 6.158 2.108 -3.003 1.00 0.00 N ATOM 363 CA ASN A 23 7.467 1.787 -3.546 1.00 0.00 C ATOM 364 C ASN A 23 8.559 2.640 -2.888 1.00 0.00 C ATOM 365 O ASN A 23 9.742 2.295 -2.915 1.00 0.00 O ATOM 366 CB ASN A 23 7.450 1.998 -5.065 1.00 0.00 C ATOM 367 CG ASN A 23 8.797 1.777 -5.720 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.164 0.645 -6.034 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.523 2.858 -5.966 1.00 0.00 N ATOM 0 H ASN A 23 5.522 2.539 -3.674 1.00 0.00 H new ATOM 0 HA ASN A 23 7.695 0.743 -3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.723 1.319 -5.510 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.113 3.012 -5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.425 2.771 -6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.179 3.777 -5.688 1.00 0.00 H new ATOM 376 N LYS A 24 8.146 3.748 -2.282 1.00 0.00 N ATOM 377 CA LYS A 24 9.066 4.651 -1.603 1.00 0.00 C ATOM 378 C LYS A 24 9.408 4.156 -0.202 1.00 0.00 C ATOM 379 O LYS A 24 10.409 4.570 0.382 1.00 0.00 O ATOM 380 CB LYS A 24 8.455 6.041 -1.509 1.00 0.00 C ATOM 381 CG LYS A 24 8.644 6.897 -2.749 1.00 0.00 C ATOM 382 CD LYS A 24 7.859 8.193 -2.636 1.00 0.00 C ATOM 383 CE LYS A 24 8.265 9.203 -3.699 1.00 0.00 C ATOM 384 NZ LYS A 24 9.694 9.592 -3.583 1.00 0.00 N ATOM 0 H LYS A 24 7.170 4.043 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 24 9.985 4.686 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.388 5.942 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.892 6.559 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.702 7.119 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.318 6.345 -3.630 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.794 7.980 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.014 8.625 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.084 8.781 -4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.640 10.091 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.845 10.504 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.950 9.679 -2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.289 8.865 -4.030 1.00 0.00 H new ATOM 398 N LEU A 25 8.570 3.283 0.335 1.00 0.00 N ATOM 399 CA LEU A 25 8.771 2.759 1.679 1.00 0.00 C ATOM 400 C LEU A 25 9.950 1.794 1.737 1.00 0.00 C ATOM 401 O LEU A 25 10.162 1.002 0.815 1.00 0.00 O ATOM 402 CB LEU A 25 7.509 2.054 2.176 1.00 0.00 C ATOM 403 CG LEU A 25 6.322 2.965 2.464 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.306 2.216 3.286 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.768 4.204 3.208 1.00 0.00 C ATOM 0 H LEU A 25 7.743 2.921 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 25 8.991 3.608 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.208 1.317 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.754 1.506 3.086 1.00 0.00 H new ATOM 0 HG LEU A 25 5.877 3.273 1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.456 2.866 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.967 1.339 2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.759 1.901 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.905 4.841 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.228 3.915 4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.493 4.750 2.604 1.00 0.00 H new ATOM 417 N PRO A 26 10.752 1.870 2.816 1.00 0.00 N ATOM 418 CA PRO A 26 11.802 0.884 3.077 1.00 0.00 C ATOM 419 C PRO A 26 11.194 -0.461 3.466 1.00 0.00 C ATOM 420 O PRO A 26 10.057 -0.505 3.940 1.00 0.00 O ATOM 421 CB PRO A 26 12.588 1.481 4.251 1.00 0.00 C ATOM 422 CG PRO A 26 11.631 2.404 4.929 1.00 0.00 C ATOM 423 CD PRO A 26 10.705 2.922 3.853 1.00 0.00 C ATOM 0 HA PRO A 26 12.427 0.696 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.934 0.702 4.931 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.472 2.015 3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.071 1.882 5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.160 3.224 5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.693 3.067 4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.041 3.883 3.464 1.00 0.00 H new ATOM 431 N GLY A 27 11.947 -1.538 3.275 1.00 0.00 N ATOM 432 CA GLY A 27 11.421 -2.885 3.469 1.00 0.00 C ATOM 433 C GLY A 27 10.676 -3.066 4.783 1.00 0.00 C ATOM 434 O GLY A 27 9.551 -3.562 4.803 1.00 0.00 O ATOM 0 H GLY A 27 12.925 -1.505 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.750 -3.126 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.245 -3.597 3.428 1.00 0.00 H new ATOM 438 N GLU A 28 11.294 -2.643 5.871 1.00 0.00 N ATOM 439 CA GLU A 28 10.698 -2.773 7.196 1.00 0.00 C ATOM 440 C GLU A 28 9.365 -2.025 7.293 1.00 0.00 C ATOM 441 O GLU A 28 8.379 -2.547 7.823 1.00 0.00 O ATOM 442 CB GLU A 28 11.665 -2.291 8.284 1.00 0.00 C ATOM 443 CG GLU A 28 12.583 -1.159 7.866 1.00 0.00 C ATOM 444 CD GLU A 28 13.806 -1.626 7.102 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.798 -2.023 7.743 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.781 -1.596 5.856 1.00 0.00 O ATOM 0 H GLU A 28 12.214 -2.203 5.866 1.00 0.00 H new ATOM 0 HA GLU A 28 10.497 -3.832 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.085 -1.968 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.276 -3.134 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.024 -0.457 7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.904 -0.615 8.754 1.00 0.00 H new ATOM 453 N LYS A 29 9.316 -0.819 6.740 1.00 0.00 N ATOM 454 CA LYS A 29 8.108 -0.004 6.812 1.00 0.00 C ATOM 455 C LYS A 29 7.049 -0.532 5.857 1.00 0.00 C ATOM 456 O LYS A 29 5.851 -0.359 6.075 1.00 0.00 O ATOM 457 CB LYS A 29 8.413 1.450 6.453 1.00 0.00 C ATOM 458 CG LYS A 29 8.640 2.373 7.642 1.00 0.00 C ATOM 459 CD LYS A 29 9.749 1.885 8.554 1.00 0.00 C ATOM 460 CE LYS A 29 10.463 3.047 9.220 1.00 0.00 C ATOM 461 NZ LYS A 29 9.525 3.937 9.956 1.00 0.00 N ATOM 0 H LYS A 29 10.092 -0.386 6.240 1.00 0.00 H new ATOM 0 HA LYS A 29 7.737 -0.055 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.300 1.474 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.587 1.843 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.885 3.372 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.716 2.458 8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.333 1.225 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.464 1.297 7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.213 2.662 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.993 3.627 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.067 4.602 10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.945 4.469 9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.906 3.363 10.564 1.00 0.00 H new ATOM 475 N LEU A 30 7.489 -1.192 4.804 1.00 0.00 N ATOM 476 CA LEU A 30 6.569 -1.704 3.811 1.00 0.00 C ATOM 477 C LEU A 30 5.955 -3.021 4.263 1.00 0.00 C ATOM 478 O LEU A 30 4.953 -3.464 3.715 1.00 0.00 O ATOM 479 CB LEU A 30 7.258 -1.767 2.432 1.00 0.00 C ATOM 480 CG LEU A 30 7.207 -3.069 1.623 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.846 -2.809 0.279 1.00 0.00 C ATOM 482 CD2 LEU A 30 7.943 -4.210 2.311 1.00 0.00 C ATOM 0 H LEU A 30 8.473 -1.385 4.615 1.00 0.00 H new ATOM 0 HA LEU A 30 5.728 -1.019 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.825 -0.981 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.308 -1.514 2.579 1.00 0.00 H new ATOM 0 HG LEU A 30 6.164 -3.370 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.823 -3.721 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.297 -2.023 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.880 -2.496 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.877 -5.108 1.697 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.990 -3.939 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.490 -4.401 3.284 1.00 0.00 H new ATOM 494 N GLY A 31 6.532 -3.628 5.292 1.00 0.00 N ATOM 495 CA GLY A 31 5.900 -4.784 5.903 1.00 0.00 C ATOM 496 C GLY A 31 4.587 -4.402 6.566 1.00 0.00 C ATOM 497 O GLY A 31 3.746 -5.255 6.840 1.00 0.00 O ATOM 0 H GLY A 31 7.417 -3.345 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.720 -5.547 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.571 -5.221 6.643 1.00 0.00 H new ATOM 501 N ARG A 32 4.408 -3.108 6.831 1.00 0.00 N ATOM 502 CA ARG A 32 3.135 -2.623 7.351 1.00 0.00 C ATOM 503 C ARG A 32 2.057 -2.650 6.282 1.00 0.00 C ATOM 504 O ARG A 32 0.939 -3.065 6.558 1.00 0.00 O ATOM 505 CB ARG A 32 3.235 -1.210 7.902 1.00 0.00 C ATOM 506 CG ARG A 32 1.925 -0.692 8.473 1.00 0.00 C ATOM 507 CD ARG A 32 2.112 -0.186 9.888 1.00 0.00 C ATOM 508 NE ARG A 32 2.485 -1.253 10.812 1.00 0.00 N ATOM 509 CZ ARG A 32 2.971 -1.043 12.033 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.077 0.194 12.506 1.00 0.00 N ATOM 511 NH2 ARG A 32 3.338 -2.073 12.787 1.00 0.00 N ATOM 0 H ARG A 32 5.118 -2.388 6.696 1.00 0.00 H new ATOM 0 HA ARG A 32 2.868 -3.298 8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.998 -1.184 8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.567 -0.541 7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.542 0.111 7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.180 -1.488 8.463 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.882 0.585 9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.188 0.281 10.230 1.00 0.00 H new ATOM 0 HE ARG A 32 2.366 -2.218 10.503 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.785 0.986 11.933 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.450 0.352 13.442 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.247 -3.024 12.430 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.711 -1.913 13.723 1.00 0.00 H new ATOM 525 N VAL A 33 2.374 -2.201 5.066 1.00 0.00 N ATOM 526 CA VAL A 33 1.380 -2.209 3.992 1.00 0.00 C ATOM 527 C VAL A 33 0.895 -3.621 3.740 1.00 0.00 C ATOM 528 O VAL A 33 -0.304 -3.858 3.661 1.00 0.00 O ATOM 529 CB VAL A 33 1.875 -1.586 2.665 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.155 -0.284 2.415 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.364 -1.330 2.658 1.00 0.00 C ATOM 0 H VAL A 33 3.289 -1.835 4.804 1.00 0.00 H new ATOM 0 HA VAL A 33 0.563 -1.578 4.341 1.00 0.00 H new ATOM 0 HB VAL A 33 1.659 -2.308 1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.506 0.152 1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.083 -0.468 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.356 0.406 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.654 -0.893 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.619 -0.642 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.896 -2.271 2.803 1.00 0.00 H new ATOM 541 N VAL A 34 1.834 -4.547 3.635 1.00 0.00 N ATOM 542 CA VAL A 34 1.507 -5.974 3.567 1.00 0.00 C ATOM 543 C VAL A 34 0.560 -6.357 4.710 1.00 0.00 C ATOM 544 O VAL A 34 -0.406 -7.073 4.498 1.00 0.00 O ATOM 545 CB VAL A 34 2.780 -6.877 3.612 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.021 -6.117 3.192 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.982 -7.525 4.973 1.00 0.00 C ATOM 0 H VAL A 34 2.832 -4.342 3.594 1.00 0.00 H new ATOM 0 HA VAL A 34 1.016 -6.144 2.609 1.00 0.00 H new ATOM 0 HB VAL A 34 2.612 -7.677 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.886 -6.779 3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.896 -5.751 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.176 -5.273 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.880 -8.142 4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.092 -6.750 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.119 -8.147 5.211 1.00 0.00 H new ATOM 557 N HIS A 35 0.824 -5.841 5.911 1.00 0.00 N ATOM 558 CA HIS A 35 0.028 -6.182 7.085 1.00 0.00 C ATOM 559 C HIS A 35 -1.356 -5.555 6.996 1.00 0.00 C ATOM 560 O HIS A 35 -2.359 -6.218 7.249 1.00 0.00 O ATOM 561 CB HIS A 35 0.742 -5.735 8.365 1.00 0.00 C ATOM 562 CG HIS A 35 -0.016 -6.039 9.621 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.026 -7.264 10.251 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.843 -5.265 10.361 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.744 -7.230 11.323 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.281 -6.028 11.413 1.00 0.00 N ATOM 0 H HIS A 35 1.584 -5.185 6.094 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.090 -7.265 7.117 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.717 -6.221 8.414 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.923 -4.661 8.312 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.109 -4.238 10.161 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.907 -8.047 12.010 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.918 -5.717 12.146 1.00 0.00 H new ATOM 575 N ILE A 36 -1.406 -4.276 6.646 1.00 0.00 N ATOM 576 CA ILE A 36 -2.672 -3.586 6.454 1.00 0.00 C ATOM 577 C ILE A 36 -3.488 -4.307 5.398 1.00 0.00 C ATOM 578 O ILE A 36 -4.660 -4.610 5.591 1.00 0.00 O ATOM 579 CB ILE A 36 -2.462 -2.127 6.001 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.672 -1.365 7.067 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.810 -1.466 5.740 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.156 -0.024 6.612 1.00 0.00 C ATOM 0 H ILE A 36 -0.582 -3.696 6.489 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.194 -3.582 7.411 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.891 -2.111 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.308 -1.220 7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.828 -1.978 7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.654 -0.436 5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.338 -2.012 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.403 -1.476 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.608 0.450 7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.492 -0.160 5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.995 0.609 6.322 1.00 0.00 H new ATOM 594 N ILE A 37 -2.829 -4.594 4.297 1.00 0.00 N ATOM 595 CA ILE A 37 -3.435 -5.293 3.188 1.00 0.00 C ATOM 596 C ILE A 37 -3.904 -6.691 3.602 1.00 0.00 C ATOM 597 O ILE A 37 -5.085 -6.957 3.575 1.00 0.00 O ATOM 598 CB ILE A 37 -2.445 -5.343 2.016 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.379 -3.980 1.340 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.819 -6.421 1.025 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.124 -3.772 0.547 1.00 0.00 C ATOM 0 H ILE A 37 -1.851 -4.347 4.146 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.325 -4.752 2.866 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.458 -5.592 2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.240 -3.867 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.454 -3.202 2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.098 -6.430 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.815 -7.391 1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.815 -6.221 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.141 -2.782 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.260 -3.854 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.058 -4.529 -0.234 1.00 0.00 H new ATOM 613 N GLN A 38 -2.990 -7.561 4.016 1.00 0.00 N ATOM 614 CA GLN A 38 -3.348 -8.925 4.450 1.00 0.00 C ATOM 615 C GLN A 38 -4.494 -8.935 5.470 1.00 0.00 C ATOM 616 O GLN A 38 -5.340 -9.828 5.454 1.00 0.00 O ATOM 617 CB GLN A 38 -2.146 -9.636 5.080 1.00 0.00 C ATOM 618 CG GLN A 38 -1.003 -9.935 4.129 1.00 0.00 C ATOM 619 CD GLN A 38 0.151 -10.619 4.837 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.314 -10.424 4.493 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.166 -11.442 5.824 1.00 0.00 N ATOM 0 H GLN A 38 -1.992 -7.355 4.064 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.671 -9.448 3.550 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.767 -9.021 5.896 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.487 -10.574 5.519 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.361 -10.570 3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.654 -9.007 3.676 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.144 -11.578 6.081 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.568 -11.940 6.328 1.00 0.00 H new ATOM 630 N SER A 39 -4.508 -7.955 6.369 1.00 0.00 N ATOM 631 CA SER A 39 -5.513 -7.915 7.425 1.00 0.00 C ATOM 632 C SER A 39 -6.855 -7.413 6.894 1.00 0.00 C ATOM 633 O SER A 39 -7.908 -7.971 7.211 1.00 0.00 O ATOM 634 CB SER A 39 -5.034 -7.029 8.579 1.00 0.00 C ATOM 635 OG SER A 39 -4.863 -5.682 8.170 1.00 0.00 O ATOM 0 H SER A 39 -3.840 -7.184 6.388 1.00 0.00 H new ATOM 0 HA SER A 39 -5.656 -8.931 7.793 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.755 -7.073 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.091 -7.414 8.966 1.00 0.00 H new ATOM 0 HG SER A 39 -3.975 -5.572 7.770 1.00 0.00 H new ATOM 641 N ARG A 40 -6.814 -6.352 6.095 1.00 0.00 N ATOM 642 CA ARG A 40 -8.024 -5.768 5.528 1.00 0.00 C ATOM 643 C ARG A 40 -8.492 -6.565 4.318 1.00 0.00 C ATOM 644 O ARG A 40 -9.645 -6.461 3.889 1.00 0.00 O ATOM 645 CB ARG A 40 -7.776 -4.298 5.175 1.00 0.00 C ATOM 646 CG ARG A 40 -7.453 -3.480 6.399 1.00 0.00 C ATOM 647 CD ARG A 40 -7.195 -2.027 6.078 1.00 0.00 C ATOM 648 NE ARG A 40 -8.449 -1.296 5.943 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.757 -0.207 6.646 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.848 0.385 7.415 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.980 0.293 6.576 1.00 0.00 N ATOM 0 H ARG A 40 -5.952 -5.878 5.825 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.822 -5.810 6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.954 -4.228 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.659 -3.887 4.685 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.279 -3.550 7.106 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.576 -3.900 6.891 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.590 -1.578 6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.623 -1.950 5.153 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.133 -1.639 5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.903 0.006 7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.096 1.218 7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.681 -0.155 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.222 1.127 7.112 1.00 0.00 H new ATOM 665 N GLU A 41 -7.584 -7.373 3.796 1.00 0.00 N ATOM 666 CA GLU A 41 -7.857 -8.279 2.695 1.00 0.00 C ATOM 667 C GLU A 41 -7.559 -9.706 3.131 1.00 0.00 C ATOM 668 O GLU A 41 -6.556 -10.286 2.710 1.00 0.00 O ATOM 669 CB GLU A 41 -6.963 -7.957 1.503 1.00 0.00 C ATOM 670 CG GLU A 41 -6.862 -6.487 1.171 1.00 0.00 C ATOM 671 CD GLU A 41 -8.163 -5.910 0.648 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.986 -6.687 0.111 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.369 -4.681 0.776 1.00 0.00 O ATOM 0 H GLU A 41 -6.622 -7.418 4.131 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.904 -8.168 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.962 -8.341 1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.340 -8.488 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.559 -5.938 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.080 -6.341 0.426 1.00 0.00 H new ATOM 680 N PRO A 42 -8.414 -10.309 3.966 1.00 0.00 N ATOM 681 CA PRO A 42 -8.128 -11.628 4.517 1.00 0.00 C ATOM 682 C PRO A 42 -8.138 -12.720 3.448 1.00 0.00 C ATOM 683 O PRO A 42 -7.800 -13.874 3.717 1.00 0.00 O ATOM 684 CB PRO A 42 -9.224 -11.873 5.557 1.00 0.00 C ATOM 685 CG PRO A 42 -10.211 -10.751 5.439 1.00 0.00 C ATOM 686 CD PRO A 42 -9.700 -9.761 4.421 1.00 0.00 C ATOM 0 HA PRO A 42 -7.128 -11.661 4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.711 -12.833 5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.800 -11.908 6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.185 -11.135 5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.346 -10.264 6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.398 -9.653 3.591 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.573 -8.772 4.862 1.00 0.00 H new ATOM 694 N SER A 43 -8.511 -12.344 2.234 1.00 0.00 N ATOM 695 CA SER A 43 -8.477 -13.253 1.105 1.00 0.00 C ATOM 696 C SER A 43 -7.033 -13.535 0.688 1.00 0.00 C ATOM 697 O SER A 43 -6.733 -14.587 0.122 1.00 0.00 O ATOM 698 CB SER A 43 -9.270 -12.657 -0.060 1.00 0.00 C ATOM 699 OG SER A 43 -8.857 -11.325 -0.326 1.00 0.00 O ATOM 0 H SER A 43 -8.843 -11.407 2.007 1.00 0.00 H new ATOM 0 HA SER A 43 -8.935 -14.199 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.131 -13.270 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.334 -12.672 0.174 1.00 0.00 H new ATOM 0 HG SER A 43 -9.376 -10.965 -1.075 1.00 0.00 H new ATOM 705 N LEU A 44 -6.135 -12.598 0.985 1.00 0.00 N ATOM 706 CA LEU A 44 -4.730 -12.762 0.637 1.00 0.00 C ATOM 707 C LEU A 44 -3.882 -12.987 1.887 1.00 0.00 C ATOM 708 O LEU A 44 -2.665 -12.809 1.871 1.00 0.00 O ATOM 709 CB LEU A 44 -4.228 -11.562 -0.189 1.00 0.00 C ATOM 710 CG LEU A 44 -4.351 -10.185 0.441 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.057 -9.794 1.117 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.728 -9.165 -0.619 1.00 0.00 C ATOM 0 H LEU A 44 -6.355 -11.724 1.462 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.630 -13.651 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.178 -11.732 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.772 -11.551 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.135 -10.212 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.164 -8.805 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.820 -10.519 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.253 -9.776 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.815 -8.180 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.958 -9.140 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.682 -9.442 -1.067 1.00 0.00 H new ATOM 724 N LYS A 45 -4.540 -13.400 2.970 1.00 0.00 N ATOM 725 CA LYS A 45 -3.821 -13.749 4.225 1.00 0.00 C ATOM 726 C LYS A 45 -2.856 -14.917 3.983 1.00 0.00 C ATOM 727 O LYS A 45 -1.929 -15.139 4.762 1.00 0.00 O ATOM 728 CB LYS A 45 -4.774 -14.125 5.394 1.00 0.00 C ATOM 729 CG LYS A 45 -4.201 -13.838 6.784 1.00 0.00 C ATOM 730 CD LYS A 45 -5.241 -14.030 7.868 1.00 0.00 C ATOM 731 CE LYS A 45 -5.679 -15.475 7.906 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.572 -15.772 9.055 1.00 0.00 N ATOM 0 H LYS A 45 -5.553 -13.505 3.019 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.275 -12.851 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.709 -13.576 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.016 -15.185 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.353 -14.497 6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.824 -12.816 6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.830 -13.739 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.099 -13.385 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.195 -15.719 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.799 -16.116 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.843 -16.776 9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.073 -15.567 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.426 -15.182 8.993 1.00 0.00 H new ATOM 746 N ASN A 46 -3.086 -15.663 2.901 1.00 0.00 N ATOM 747 CA ASN A 46 -2.234 -16.798 2.545 1.00 0.00 C ATOM 748 C ASN A 46 -0.880 -16.321 2.026 1.00 0.00 C ATOM 749 O ASN A 46 0.066 -17.102 1.922 1.00 0.00 O ATOM 750 CB ASN A 46 -2.915 -17.678 1.470 1.00 0.00 C ATOM 751 CG ASN A 46 -3.211 -16.921 0.182 1.00 0.00 C ATOM 752 OD1 ASN A 46 -3.514 -15.728 0.195 1.00 0.00 O ATOM 753 ND2 ASN A 46 -3.118 -17.613 -0.943 1.00 0.00 N ATOM 0 H ASN A 46 -3.858 -15.500 2.254 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.080 -17.390 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.273 -18.530 1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.846 -18.078 1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.300 -17.159 -1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.864 -18.601 -0.915 1.00 0.00 H new ATOM 760 N SER A 47 -0.798 -15.041 1.700 1.00 0.00 N ATOM 761 CA SER A 47 0.424 -14.462 1.166 1.00 0.00 C ATOM 762 C SER A 47 1.389 -14.086 2.294 1.00 0.00 C ATOM 763 O SER A 47 0.974 -13.590 3.343 1.00 0.00 O ATOM 764 CB SER A 47 0.082 -13.236 0.322 1.00 0.00 C ATOM 765 OG SER A 47 -0.745 -13.590 -0.776 1.00 0.00 O ATOM 0 H SER A 47 -1.569 -14.380 1.797 1.00 0.00 H new ATOM 0 HA SER A 47 0.919 -15.203 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.425 -12.495 0.940 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.999 -12.774 -0.043 1.00 0.00 H new ATOM 0 HG SER A 47 -0.952 -12.789 -1.301 1.00 0.00 H new ATOM 771 N ASN A 48 2.672 -14.341 2.070 1.00 0.00 N ATOM 772 CA ASN A 48 3.710 -14.044 3.055 1.00 0.00 C ATOM 773 C ASN A 48 3.989 -12.543 3.087 1.00 0.00 C ATOM 774 O ASN A 48 3.932 -11.873 2.060 1.00 0.00 O ATOM 775 CB ASN A 48 4.999 -14.783 2.698 1.00 0.00 C ATOM 776 CG ASN A 48 4.839 -16.288 2.619 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.368 -16.823 1.615 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.260 -16.987 3.656 1.00 0.00 N ATOM 0 H ASN A 48 3.023 -14.757 1.207 1.00 0.00 H new ATOM 0 HA ASN A 48 3.361 -14.371 4.034 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.364 -14.415 1.739 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.760 -14.546 3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.201 -18.005 3.643 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.645 -16.509 4.471 1.00 0.00 H new ATOM 785 N PRO A 49 4.315 -12.008 4.279 1.00 0.00 N ATOM 786 CA PRO A 49 4.472 -10.562 4.493 1.00 0.00 C ATOM 787 C PRO A 49 5.622 -9.935 3.705 1.00 0.00 C ATOM 788 O PRO A 49 5.556 -8.770 3.329 1.00 0.00 O ATOM 789 CB PRO A 49 4.743 -10.445 5.997 1.00 0.00 C ATOM 790 CG PRO A 49 5.239 -11.783 6.407 1.00 0.00 C ATOM 791 CD PRO A 49 4.540 -12.769 5.519 1.00 0.00 C ATOM 0 HA PRO A 49 3.587 -10.027 4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.481 -9.670 6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.837 -10.177 6.541 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.321 -11.851 6.291 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.018 -11.977 7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.151 -13.655 5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.602 -13.111 5.957 1.00 0.00 H new ATOM 799 N ASP A 50 6.677 -10.695 3.461 1.00 0.00 N ATOM 800 CA ASP A 50 7.842 -10.166 2.755 1.00 0.00 C ATOM 801 C ASP A 50 7.746 -10.488 1.278 1.00 0.00 C ATOM 802 O ASP A 50 8.625 -10.146 0.485 1.00 0.00 O ATOM 803 CB ASP A 50 9.131 -10.765 3.341 1.00 0.00 C ATOM 804 CG ASP A 50 9.332 -12.219 2.975 1.00 0.00 C ATOM 805 OD1 ASP A 50 8.565 -13.067 3.474 1.00 0.00 O ATOM 806 OD2 ASP A 50 10.275 -12.521 2.212 1.00 0.00 O ATOM 0 H ASP A 50 6.755 -11.674 3.737 1.00 0.00 H new ATOM 0 HA ASP A 50 7.867 -9.083 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.985 -10.187 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.107 -10.670 4.427 1.00 0.00 H new ATOM 811 N GLU A 51 6.661 -11.140 0.920 1.00 0.00 N ATOM 812 CA GLU A 51 6.441 -11.588 -0.427 1.00 0.00 C ATOM 813 C GLU A 51 5.034 -11.220 -0.869 1.00 0.00 C ATOM 814 O GLU A 51 4.423 -11.909 -1.688 1.00 0.00 O ATOM 815 CB GLU A 51 6.629 -13.094 -0.471 1.00 0.00 C ATOM 816 CG GLU A 51 8.068 -13.552 -0.284 1.00 0.00 C ATOM 817 CD GLU A 51 8.176 -15.057 -0.155 1.00 0.00 C ATOM 818 OE1 GLU A 51 8.211 -15.737 -1.203 1.00 0.00 O ATOM 819 OE2 GLU A 51 8.226 -15.571 0.982 1.00 0.00 O ATOM 0 H GLU A 51 5.905 -11.373 1.564 1.00 0.00 H new ATOM 0 HA GLU A 51 7.150 -11.109 -1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.012 -13.548 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.263 -13.466 -1.428 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.667 -13.218 -1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.485 -13.082 0.607 1.00 0.00 H new ATOM 826 N ILE A 52 4.520 -10.144 -0.291 1.00 0.00 N ATOM 827 CA ILE A 52 3.140 -9.755 -0.494 1.00 0.00 C ATOM 828 C ILE A 52 2.899 -9.206 -1.891 1.00 0.00 C ATOM 829 O ILE A 52 3.798 -8.666 -2.540 1.00 0.00 O ATOM 830 CB ILE A 52 2.682 -8.731 0.573 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.191 -8.892 0.863 1.00 0.00 C ATOM 832 CG2 ILE A 52 2.957 -7.311 0.122 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.815 -10.261 1.339 1.00 0.00 C ATOM 0 H ILE A 52 5.045 -9.524 0.325 1.00 0.00 H new ATOM 0 HA ILE A 52 2.542 -10.660 -0.387 1.00 0.00 H new ATOM 0 HB ILE A 52 3.251 -8.925 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.895 -8.161 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.627 -8.664 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.625 -6.614 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.026 -7.183 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.418 -7.113 -0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.258 -10.300 1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.079 -10.996 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.351 -10.485 2.261 1.00 0.00 H new ATOM 845 N GLU A 53 1.676 -9.375 -2.342 1.00 0.00 N ATOM 846 CA GLU A 53 1.241 -8.858 -3.622 1.00 0.00 C ATOM 847 C GLU A 53 0.189 -7.792 -3.391 1.00 0.00 C ATOM 848 O GLU A 53 -0.978 -8.103 -3.145 1.00 0.00 O ATOM 849 CB GLU A 53 0.657 -9.983 -4.483 1.00 0.00 C ATOM 850 CG GLU A 53 1.667 -11.046 -4.873 1.00 0.00 C ATOM 851 CD GLU A 53 2.651 -10.562 -5.916 1.00 0.00 C ATOM 852 OE1 GLU A 53 2.231 -10.336 -7.071 1.00 0.00 O ATOM 853 OE2 GLU A 53 3.852 -10.439 -5.597 1.00 0.00 O ATOM 0 H GLU A 53 0.951 -9.877 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 53 2.096 -8.430 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.162 -10.455 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.231 -9.551 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.213 -11.366 -3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.139 -11.920 -5.255 1.00 0.00 H new ATOM 860 N ILE A 54 0.602 -6.539 -3.431 1.00 0.00 N ATOM 861 CA ILE A 54 -0.318 -5.446 -3.263 1.00 0.00 C ATOM 862 C ILE A 54 -1.092 -5.232 -4.559 1.00 0.00 C ATOM 863 O ILE A 54 -0.556 -4.689 -5.530 1.00 0.00 O ATOM 864 CB ILE A 54 0.416 -4.146 -2.903 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.316 -4.327 -1.678 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.582 -3.038 -2.664 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.934 -3.022 -1.216 1.00 0.00 C ATOM 0 H ILE A 54 1.572 -6.260 -3.579 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.996 -5.699 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 54 1.056 -3.878 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.734 -4.758 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.108 -5.037 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.052 -2.120 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.171 -2.878 -3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.243 -3.315 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.563 -3.206 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.540 -2.602 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.144 -2.319 -0.952 1.00 0.00 H new ATOM 879 N ASP A 55 -2.333 -5.682 -4.587 1.00 0.00 N ATOM 880 CA ASP A 55 -3.166 -5.516 -5.768 1.00 0.00 C ATOM 881 C ASP A 55 -4.186 -4.419 -5.527 1.00 0.00 C ATOM 882 O ASP A 55 -5.214 -4.633 -4.886 1.00 0.00 O ATOM 883 CB ASP A 55 -3.868 -6.823 -6.143 1.00 0.00 C ATOM 884 CG ASP A 55 -4.677 -6.687 -7.417 1.00 0.00 C ATOM 885 OD1 ASP A 55 -4.099 -6.834 -8.517 1.00 0.00 O ATOM 886 OD2 ASP A 55 -5.893 -6.435 -7.330 1.00 0.00 O ATOM 0 H ASP A 55 -2.786 -6.163 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.524 -5.234 -6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.125 -7.611 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.524 -7.129 -5.328 1.00 0.00 H new ATOM 891 N PHE A 56 -3.896 -3.250 -6.068 1.00 0.00 N ATOM 892 CA PHE A 56 -4.649 -2.044 -5.766 1.00 0.00 C ATOM 893 C PHE A 56 -6.054 -2.077 -6.357 1.00 0.00 C ATOM 894 O PHE A 56 -6.904 -1.254 -6.013 1.00 0.00 O ATOM 895 CB PHE A 56 -3.883 -0.828 -6.270 1.00 0.00 C ATOM 896 CG PHE A 56 -2.540 -0.679 -5.616 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.444 -0.125 -4.358 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.384 -1.102 -6.243 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.237 0.015 -3.732 1.00 0.00 C ATOM 900 CE2 PHE A 56 -0.161 -0.967 -5.618 1.00 0.00 C ATOM 901 CZ PHE A 56 -0.091 -0.402 -4.357 1.00 0.00 C ATOM 0 H PHE A 56 -3.132 -3.109 -6.729 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.765 -1.982 -4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.751 -0.908 -7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.473 0.070 -6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.341 0.206 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.438 -1.541 -7.228 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.187 0.454 -2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.739 -1.302 -6.112 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.865 -0.290 -3.866 1.00 0.00 H new ATOM 911 N GLU A 57 -6.298 -3.035 -7.233 1.00 0.00 N ATOM 912 CA GLU A 57 -7.603 -3.187 -7.854 1.00 0.00 C ATOM 913 C GLU A 57 -8.555 -3.972 -6.963 1.00 0.00 C ATOM 914 O GLU A 57 -9.772 -3.790 -7.026 1.00 0.00 O ATOM 915 CB GLU A 57 -7.456 -3.867 -9.209 1.00 0.00 C ATOM 916 CG GLU A 57 -6.855 -2.957 -10.261 1.00 0.00 C ATOM 917 CD GLU A 57 -7.707 -1.730 -10.510 1.00 0.00 C ATOM 918 OE1 GLU A 57 -7.513 -0.703 -9.825 1.00 0.00 O ATOM 919 OE2 GLU A 57 -8.580 -1.783 -11.399 1.00 0.00 O ATOM 0 H GLU A 57 -5.607 -3.723 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.030 -2.194 -7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.829 -4.752 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.434 -4.209 -9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.859 -2.647 -9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.736 -3.510 -11.193 1.00 0.00 H new ATOM 926 N THR A 58 -8.005 -4.845 -6.136 1.00 0.00 N ATOM 927 CA THR A 58 -8.819 -5.626 -5.224 1.00 0.00 C ATOM 928 C THR A 58 -8.787 -5.043 -3.814 1.00 0.00 C ATOM 929 O THR A 58 -9.712 -5.261 -3.031 1.00 0.00 O ATOM 930 CB THR A 58 -8.376 -7.099 -5.202 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.957 -7.184 -5.015 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.762 -7.793 -6.496 1.00 0.00 C ATOM 0 H THR A 58 -7.003 -5.029 -6.078 1.00 0.00 H new ATOM 0 HA THR A 58 -9.845 -5.582 -5.589 1.00 0.00 H new ATOM 0 HB THR A 58 -8.880 -7.596 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.501 -6.888 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.440 -8.834 -6.461 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.844 -7.752 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.280 -7.292 -7.335 1.00 0.00 H new ATOM 940 N LEU A 59 -7.723 -4.300 -3.500 1.00 0.00 N ATOM 941 CA LEU A 59 -7.622 -3.606 -2.222 1.00 0.00 C ATOM 942 C LEU A 59 -8.810 -2.678 -2.022 1.00 0.00 C ATOM 943 O LEU A 59 -9.146 -1.892 -2.911 1.00 0.00 O ATOM 944 CB LEU A 59 -6.333 -2.809 -2.142 1.00 0.00 C ATOM 945 CG LEU A 59 -5.082 -3.664 -2.125 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.851 -2.806 -1.998 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.155 -4.673 -0.996 1.00 0.00 C ATOM 0 H LEU A 59 -6.921 -4.166 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.621 -4.358 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.285 -2.129 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.353 -2.194 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.017 -4.205 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.965 -3.440 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.797 -2.120 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.899 -2.235 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.251 -5.282 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.242 -4.149 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.024 -5.315 -1.137 1.00 0.00 H new ATOM 959 N LYS A 60 -9.458 -2.793 -0.875 1.00 0.00 N ATOM 960 CA LYS A 60 -10.577 -1.921 -0.542 1.00 0.00 C ATOM 961 C LYS A 60 -10.110 -0.472 -0.503 1.00 0.00 C ATOM 962 O LYS A 60 -8.981 -0.203 -0.088 1.00 0.00 O ATOM 963 CB LYS A 60 -11.166 -2.309 0.821 1.00 0.00 C ATOM 964 CG LYS A 60 -11.738 -3.712 0.866 1.00 0.00 C ATOM 965 CD LYS A 60 -12.103 -4.127 2.272 1.00 0.00 C ATOM 966 CE LYS A 60 -12.452 -5.604 2.335 1.00 0.00 C ATOM 967 NZ LYS A 60 -12.494 -6.104 3.732 1.00 0.00 N ATOM 0 H LYS A 60 -9.230 -3.481 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.347 -2.033 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.389 -2.219 1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.950 -1.599 1.082 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.622 -3.764 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.011 -4.414 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.270 -3.918 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.949 -3.535 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.420 -5.769 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.718 -6.175 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.061 -6.975 3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.527 -6.305 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.923 -5.383 4.346 1.00 0.00 H new ATOM 981 N PRO A 61 -10.947 0.480 -0.961 1.00 0.00 N ATOM 982 CA PRO A 61 -10.655 1.911 -0.849 1.00 0.00 C ATOM 983 C PRO A 61 -10.123 2.276 0.531 1.00 0.00 C ATOM 984 O PRO A 61 -9.220 3.102 0.671 1.00 0.00 O ATOM 985 CB PRO A 61 -12.013 2.562 -1.087 1.00 0.00 C ATOM 986 CG PRO A 61 -12.716 1.627 -1.999 1.00 0.00 C ATOM 987 CD PRO A 61 -12.219 0.239 -1.666 1.00 0.00 C ATOM 0 HA PRO A 61 -9.885 2.234 -1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.560 2.693 -0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.907 3.550 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.796 1.694 -1.865 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.508 1.873 -3.040 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.928 -0.300 -1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.071 -0.359 -2.565 1.00 0.00 H new ATOM 995 N SER A 62 -10.685 1.625 1.540 1.00 0.00 N ATOM 996 CA SER A 62 -10.275 1.815 2.918 1.00 0.00 C ATOM 997 C SER A 62 -8.806 1.431 3.114 1.00 0.00 C ATOM 998 O SER A 62 -8.037 2.190 3.706 1.00 0.00 O ATOM 999 CB SER A 62 -11.170 0.976 3.822 1.00 0.00 C ATOM 1000 OG SER A 62 -12.540 1.196 3.525 1.00 0.00 O ATOM 0 H SER A 62 -11.440 0.949 1.422 1.00 0.00 H new ATOM 0 HA SER A 62 -10.376 2.869 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.932 -0.080 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.976 1.225 4.865 1.00 0.00 H new ATOM 0 HG SER A 62 -13.095 0.646 4.116 1.00 0.00 H new ATOM 1006 N THR A 63 -8.414 0.259 2.608 1.00 0.00 N ATOM 1007 CA THR A 63 -7.025 -0.175 2.685 1.00 0.00 C ATOM 1008 C THR A 63 -6.152 0.791 1.914 1.00 0.00 C ATOM 1009 O THR A 63 -5.161 1.274 2.433 1.00 0.00 O ATOM 1010 CB THR A 63 -6.823 -1.601 2.114 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.970 -2.411 2.418 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.569 -2.262 2.691 1.00 0.00 C ATOM 0 H THR A 63 -9.038 -0.400 2.144 1.00 0.00 H new ATOM 0 HA THR A 63 -6.747 -0.193 3.739 1.00 0.00 H new ATOM 0 HB THR A 63 -6.700 -1.516 1.034 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.014 -3.164 1.792 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.457 -3.261 2.269 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.694 -1.663 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.661 -2.334 3.775 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.560 1.101 0.688 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.788 1.970 -0.187 1.00 0.00 C ATOM 1022 C LEU A 64 -5.517 3.321 0.463 1.00 0.00 C ATOM 1023 O LEU A 64 -4.385 3.800 0.453 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.519 2.156 -1.513 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.690 0.887 -2.337 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.655 1.132 -3.477 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.345 0.412 -2.855 1.00 0.00 C ATOM 0 H LEU A 64 -7.429 0.759 0.277 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.825 1.494 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.504 2.576 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.976 2.889 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.104 0.104 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.770 0.218 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.624 1.431 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.268 1.924 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.481 -0.496 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.902 1.186 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.684 0.204 -2.014 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.550 3.934 1.034 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.381 5.208 1.717 1.00 0.00 C ATOM 1041 C ARG A 65 -5.481 5.041 2.932 1.00 0.00 C ATOM 1042 O ARG A 65 -4.714 5.938 3.265 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.727 5.793 2.134 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.585 6.259 0.968 1.00 0.00 C ATOM 1045 CD ARG A 65 -7.958 7.425 0.214 1.00 0.00 C ATOM 1046 NE ARG A 65 -8.779 7.822 -0.931 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.346 8.577 -1.944 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.116 9.073 -1.943 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.150 8.845 -2.963 1.00 0.00 N ATOM 0 H ARG A 65 -7.503 3.572 1.037 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.911 5.903 1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.278 5.043 2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.554 6.635 2.804 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.741 5.428 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.566 6.555 1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.836 8.273 0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.962 7.145 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.747 7.500 -0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.489 8.879 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.797 9.648 -2.723 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.100 8.475 -2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.818 9.422 -3.736 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.564 3.884 3.580 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.694 3.577 4.700 1.00 0.00 C ATOM 1065 C GLU A 66 -3.247 3.448 4.221 1.00 0.00 C ATOM 1066 O GLU A 66 -2.370 4.119 4.744 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.156 2.287 5.382 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.253 1.825 6.510 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.352 2.693 7.747 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.199 2.392 8.617 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.593 3.675 7.866 1.00 0.00 O ATOM 0 H GLU A 66 -6.227 3.145 3.345 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.745 4.389 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.162 2.436 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.219 1.496 4.635 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.507 0.798 6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.221 1.818 6.161 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.021 2.591 3.223 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.703 2.417 2.602 1.00 0.00 C ATOM 1080 C LEU A 67 -1.107 3.777 2.228 1.00 0.00 C ATOM 1081 O LEU A 67 -0.004 4.115 2.655 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.830 1.528 1.351 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.727 0.307 1.525 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.931 -0.388 0.204 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.125 -0.662 2.522 1.00 0.00 C ATOM 0 H LEU A 67 -3.746 1.997 2.821 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.036 1.933 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.217 2.132 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.835 1.192 1.058 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.691 0.648 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.573 -1.257 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.400 0.299 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.967 -0.710 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.781 -1.526 2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.149 -0.990 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.012 -0.168 3.487 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.867 4.560 1.466 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.442 5.896 1.042 1.00 0.00 C ATOM 1099 C GLU A 68 -1.114 6.785 2.246 1.00 0.00 C ATOM 1100 O GLU A 68 0.002 7.272 2.388 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.547 6.553 0.210 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.172 7.913 -0.345 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.353 8.647 -0.943 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.249 9.064 -0.176 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.389 8.822 -2.180 1.00 0.00 O ATOM 0 H GLU A 68 -2.790 4.290 1.126 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.540 5.786 0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.806 5.893 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.440 6.657 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.739 8.519 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.402 7.790 -1.107 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.094 6.984 3.115 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.927 7.824 4.302 1.00 0.00 C ATOM 1114 C ARG A 69 -0.826 7.298 5.210 1.00 0.00 C ATOM 1115 O ARG A 69 -0.181 8.051 5.940 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.246 7.884 5.053 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.217 8.910 4.495 1.00 0.00 C ATOM 1118 CD ARG A 69 -4.176 10.208 5.281 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.831 10.768 5.356 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.394 11.514 6.367 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -3.211 11.838 7.365 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -1.141 11.942 6.375 1.00 0.00 N ATOM 0 H ARG A 69 -3.023 6.573 3.023 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.633 8.824 3.983 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.715 6.900 5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.048 8.115 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.976 9.109 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.228 8.503 4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.844 10.933 4.816 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.550 10.031 6.289 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.188 10.576 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.178 11.514 7.358 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.870 12.410 8.138 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.514 11.700 5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.802 12.514 7.149 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.596 6.007 5.148 1.00 0.00 N ATOM 1137 CA TYR A 70 0.436 5.393 5.946 1.00 0.00 C ATOM 1138 C TYR A 70 1.800 5.793 5.420 1.00 0.00 C ATOM 1139 O TYR A 70 2.655 6.268 6.173 1.00 0.00 O ATOM 1140 CB TYR A 70 0.298 3.882 5.934 1.00 0.00 C ATOM 1141 CG TYR A 70 1.523 3.199 6.453 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.958 3.400 7.754 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.258 2.381 5.628 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.102 2.794 8.219 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.402 1.769 6.078 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.823 1.981 7.379 1.00 0.00 C ATOM 1147 OH TYR A 70 4.969 1.380 7.841 1.00 0.00 O ATOM 0 H TYR A 70 -1.112 5.361 4.551 1.00 0.00 H new ATOM 0 HA TYR A 70 0.330 5.739 6.974 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.561 3.592 6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.100 3.545 4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.391 4.042 8.412 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.931 2.217 4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.430 2.956 9.235 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.969 1.127 5.421 1.00 0.00 H new ATOM 0 HH TYR A 70 5.355 0.823 7.133 1.00 0.00 H new ATOM 1157 N VAL A 71 2.001 5.626 4.121 1.00 0.00 N ATOM 1158 CA VAL A 71 3.273 5.973 3.528 1.00 0.00 C ATOM 1159 C VAL A 71 3.529 7.455 3.727 1.00 0.00 C ATOM 1160 O VAL A 71 4.660 7.864 3.913 1.00 0.00 O ATOM 1161 CB VAL A 71 3.358 5.664 2.020 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.871 4.271 1.694 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.601 6.679 1.211 1.00 0.00 C ATOM 0 H VAL A 71 1.308 5.258 3.470 1.00 0.00 H new ATOM 0 HA VAL A 71 4.023 5.360 4.027 1.00 0.00 H new ATOM 0 HB VAL A 71 4.413 5.719 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.950 4.100 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.481 3.539 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.831 4.168 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.680 6.433 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.552 6.672 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.021 7.670 1.386 1.00 0.00 H new ATOM 1173 N THR A 72 2.464 8.258 3.720 1.00 0.00 N ATOM 1174 CA THR A 72 2.623 9.697 3.811 1.00 0.00 C ATOM 1175 C THR A 72 3.211 10.093 5.155 1.00 0.00 C ATOM 1176 O THR A 72 3.865 11.124 5.274 1.00 0.00 O ATOM 1177 CB THR A 72 1.313 10.468 3.560 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.306 10.127 4.519 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.817 10.169 2.165 1.00 0.00 C ATOM 0 H THR A 72 1.498 7.936 3.653 1.00 0.00 H new ATOM 0 HA THR A 72 3.314 9.976 3.016 1.00 0.00 H new ATOM 0 HB THR A 72 1.519 11.533 3.663 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.608 9.363 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.110 10.713 1.984 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.567 10.479 1.438 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.635 9.099 2.065 1.00 0.00 H new ATOM 1187 N SER A 73 3.002 9.249 6.155 1.00 0.00 N ATOM 1188 CA SER A 73 3.571 9.485 7.467 1.00 0.00 C ATOM 1189 C SER A 73 5.087 9.271 7.423 1.00 0.00 C ATOM 1190 O SER A 73 5.828 9.798 8.250 1.00 0.00 O ATOM 1191 CB SER A 73 2.909 8.565 8.498 1.00 0.00 C ATOM 1192 OG SER A 73 3.430 7.244 8.439 1.00 0.00 O ATOM 0 H SER A 73 2.444 8.398 6.080 1.00 0.00 H new ATOM 0 HA SER A 73 3.382 10.516 7.765 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.061 8.971 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.833 8.539 8.324 1.00 0.00 H new ATOM 0 HG SER A 73 3.375 6.911 7.519 1.00 0.00 H new ATOM 1198 N CYS A 74 5.534 8.481 6.444 1.00 0.00 N ATOM 1199 CA CYS A 74 6.961 8.223 6.238 1.00 0.00 C ATOM 1200 C CYS A 74 7.539 9.068 5.099 1.00 0.00 C ATOM 1201 O CYS A 74 8.737 9.347 5.068 1.00 0.00 O ATOM 1202 CB CYS A 74 7.198 6.731 5.957 1.00 0.00 C ATOM 1203 SG CYS A 74 8.915 6.307 5.580 1.00 0.00 S ATOM 0 H CYS A 74 4.924 8.007 5.778 1.00 0.00 H new ATOM 0 HA CYS A 74 7.477 8.507 7.155 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.876 6.155 6.824 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.569 6.427 5.120 1.00 0.00 H new ATOM 0 HG CYS A 74 9.555 7.377 5.211 1.00 0.00 H new ATOM 1209 N LEU A 75 6.690 9.457 4.157 1.00 0.00 N ATOM 1210 CA LEU A 75 7.138 10.130 2.949 1.00 0.00 C ATOM 1211 C LEU A 75 6.915 11.635 3.021 1.00 0.00 C ATOM 1212 O LEU A 75 7.833 12.418 2.780 1.00 0.00 O ATOM 1213 CB LEU A 75 6.403 9.550 1.742 1.00 0.00 C ATOM 1214 CG LEU A 75 6.497 8.037 1.591 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.961 7.619 0.236 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.934 7.568 1.771 1.00 0.00 C ATOM 0 H LEU A 75 5.681 9.316 4.209 1.00 0.00 H new ATOM 0 HA LEU A 75 8.210 9.963 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.351 9.828 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.798 10.015 0.839 1.00 0.00 H new ATOM 0 HG LEU A 75 5.891 7.568 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.031 6.536 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.919 7.925 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.547 8.095 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.980 6.485 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.567 8.037 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.286 7.846 2.765 1.00 0.00 H new