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 170:sc= -3.47 (180deg=-4.1) USER MOD Single : A 11 SER OG : rot -87:sc= 1.21 USER MOD Single : A 12 TYR OH : rot -117:sc= 0.0132 USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 0.708 (180deg=0.685) USER MOD Single : A 17 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.6!) USER MOD Single : A 19 SER OG : rot -48:sc= 1.22 USER MOD Single : A 23 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.011) USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0412) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0899) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -3.68! C(o=-3.7!,f=-8.1!) USER MOD Single : A 39 SER OG : rot -91:sc= 1.19 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -112:sc= -0.859 (180deg=-2.9!) USER MOD Single : A 46 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.0067) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0261 X(o=-0.026,f=-0.31) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 63 THR OG1 : rot 142:sc= 1.23 USER MOD Single : A 70 TYR OH : rot -163:sc= 0.966 USER MOD Single : A 72 THR OG1 : rot -10:sc= 1.85 USER MOD Single : A 73 SER OG : rot -47:sc= 1.26 USER MOD Single : A 74 CYS SG : rot -16:sc= 0.0682 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.296 6.611 -2.323 1.00 0.00 N ATOM 127 CA PRO A 9 -12.878 5.815 -3.479 1.00 0.00 C ATOM 128 C PRO A 9 -11.575 6.320 -4.090 1.00 0.00 C ATOM 129 O PRO A 9 -11.413 7.522 -4.329 1.00 0.00 O ATOM 130 CB PRO A 9 -14.037 5.961 -4.473 1.00 0.00 C ATOM 131 CG PRO A 9 -14.793 7.167 -4.029 1.00 0.00 C ATOM 132 CD PRO A 9 -14.587 7.278 -2.542 1.00 0.00 C ATOM 0 HA PRO A 9 -12.679 4.780 -3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.668 6.082 -5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.673 5.075 -4.468 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.432 8.060 -4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.852 7.070 -4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.561 8.318 -2.217 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.389 6.791 -1.988 1.00 0.00 H new ATOM 140 N MET A 10 -10.645 5.404 -4.327 1.00 0.00 N ATOM 141 CA MET A 10 -9.350 5.756 -4.888 1.00 0.00 C ATOM 142 C MET A 10 -9.366 5.550 -6.403 1.00 0.00 C ATOM 143 O MET A 10 -9.742 4.481 -6.885 1.00 0.00 O ATOM 144 CB MET A 10 -8.244 4.908 -4.259 1.00 0.00 C ATOM 145 CG MET A 10 -6.848 5.372 -4.629 1.00 0.00 C ATOM 146 SD MET A 10 -6.218 6.656 -3.537 1.00 0.00 S ATOM 147 CE MET A 10 -6.142 5.762 -1.997 1.00 0.00 C ATOM 0 H MET A 10 -10.765 4.409 -4.138 1.00 0.00 H new ATOM 0 HA MET A 10 -9.150 6.805 -4.670 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.351 4.930 -3.175 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.369 3.871 -4.571 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.170 4.519 -4.606 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.855 5.746 -5.653 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.607 6.357 -1.257 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.153 5.564 -1.641 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.619 4.818 -2.150 1.00 0.00 H new ATOM 157 N SER A 11 -8.969 6.570 -7.149 1.00 0.00 N ATOM 158 CA SER A 11 -9.006 6.511 -8.607 1.00 0.00 C ATOM 159 C SER A 11 -7.746 5.847 -9.184 1.00 0.00 C ATOM 160 O SER A 11 -6.829 5.507 -8.437 1.00 0.00 O ATOM 161 CB SER A 11 -9.180 7.918 -9.174 1.00 0.00 C ATOM 162 OG SER A 11 -8.181 8.794 -8.679 1.00 0.00 O ATOM 0 H SER A 11 -8.617 7.450 -6.771 1.00 0.00 H new ATOM 0 HA SER A 11 -9.856 5.895 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.131 7.884 -10.262 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.166 8.300 -8.911 1.00 0.00 H new ATOM 0 HG SER A 11 -8.475 9.176 -7.826 1.00 0.00 H new ATOM 168 N TYR A 12 -7.693 5.676 -10.509 1.00 0.00 N ATOM 169 CA TYR A 12 -6.568 4.998 -11.155 1.00 0.00 C ATOM 170 C TYR A 12 -5.277 5.808 -10.996 1.00 0.00 C ATOM 171 O TYR A 12 -4.232 5.261 -10.634 1.00 0.00 O ATOM 172 CB TYR A 12 -6.903 4.712 -12.636 1.00 0.00 C ATOM 173 CG TYR A 12 -5.920 5.256 -13.658 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.688 4.650 -13.874 1.00 0.00 C ATOM 175 CD2 TYR A 12 -6.239 6.375 -14.416 1.00 0.00 C ATOM 176 CE1 TYR A 12 -3.802 5.146 -14.812 1.00 0.00 C ATOM 177 CE2 TYR A 12 -5.360 6.876 -15.354 1.00 0.00 C ATOM 178 CZ TYR A 12 -4.144 6.261 -15.547 1.00 0.00 C ATOM 179 OH TYR A 12 -3.265 6.767 -16.478 1.00 0.00 O ATOM 0 H TYR A 12 -8.416 5.998 -11.153 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.398 4.040 -10.664 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.975 3.633 -12.770 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.888 5.127 -12.852 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.418 3.776 -13.299 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.192 6.862 -14.269 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.849 4.663 -14.968 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.625 7.747 -15.934 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.002 7.675 -16.220 1.00 0.00 H new ATOM 189 N GLU A 13 -5.369 7.112 -11.243 1.00 0.00 N ATOM 190 CA GLU A 13 -4.238 8.027 -11.053 1.00 0.00 C ATOM 191 C GLU A 13 -3.702 7.926 -9.626 1.00 0.00 C ATOM 192 O GLU A 13 -2.493 7.988 -9.393 1.00 0.00 O ATOM 193 CB GLU A 13 -4.686 9.471 -11.324 1.00 0.00 C ATOM 194 CG GLU A 13 -4.975 9.782 -12.789 1.00 0.00 C ATOM 195 CD GLU A 13 -3.714 9.992 -13.601 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.899 10.858 -13.224 1.00 0.00 O ATOM 197 OE2 GLU A 13 -3.521 9.289 -14.616 1.00 0.00 O ATOM 0 H GLU A 13 -6.220 7.565 -11.578 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.448 7.749 -11.750 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.583 9.675 -10.739 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.912 10.151 -10.968 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.550 8.964 -13.223 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.595 10.676 -12.851 1.00 0.00 H new ATOM 204 N GLU A 14 -4.618 7.747 -8.686 1.00 0.00 N ATOM 205 CA GLU A 14 -4.281 7.699 -7.279 1.00 0.00 C ATOM 206 C GLU A 14 -3.650 6.365 -6.907 1.00 0.00 C ATOM 207 O GLU A 14 -2.611 6.330 -6.257 1.00 0.00 O ATOM 208 CB GLU A 14 -5.530 7.932 -6.447 1.00 0.00 C ATOM 209 CG GLU A 14 -5.985 9.380 -6.404 1.00 0.00 C ATOM 210 CD GLU A 14 -7.249 9.557 -5.592 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.327 9.135 -6.063 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.175 10.116 -4.476 1.00 0.00 O ATOM 0 H GLU A 14 -5.613 7.632 -8.881 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.553 8.484 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.339 7.320 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.344 7.590 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.193 9.996 -5.979 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.155 9.736 -7.420 1.00 0.00 H new ATOM 219 N LYS A 15 -4.283 5.270 -7.323 1.00 0.00 N ATOM 220 CA LYS A 15 -3.740 3.932 -7.078 1.00 0.00 C ATOM 221 C LYS A 15 -2.329 3.819 -7.648 1.00 0.00 C ATOM 222 O LYS A 15 -1.470 3.141 -7.082 1.00 0.00 O ATOM 223 CB LYS A 15 -4.624 2.853 -7.694 1.00 0.00 C ATOM 224 CG LYS A 15 -5.940 2.649 -6.988 1.00 0.00 C ATOM 225 CD LYS A 15 -6.964 2.110 -7.956 1.00 0.00 C ATOM 226 CE LYS A 15 -7.993 1.261 -7.251 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.913 0.589 -8.208 1.00 0.00 N ATOM 0 H LYS A 15 -5.168 5.280 -7.829 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.711 3.781 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.820 3.111 -8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.077 1.910 -7.697 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.813 1.956 -6.156 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.287 3.593 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.459 2.938 -8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.465 1.518 -8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.488 0.509 -6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.572 1.884 -6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.664 0.099 -7.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.338 1.299 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.381 -0.102 -8.775 1.00 0.00 H new ATOM 241 N ARG A 16 -2.101 4.484 -8.777 1.00 0.00 N ATOM 242 CA ARG A 16 -0.774 4.541 -9.372 1.00 0.00 C ATOM 243 C ARG A 16 0.195 5.251 -8.439 1.00 0.00 C ATOM 244 O ARG A 16 1.245 4.708 -8.101 1.00 0.00 O ATOM 245 CB ARG A 16 -0.801 5.259 -10.717 1.00 0.00 C ATOM 246 CG ARG A 16 0.571 5.338 -11.347 1.00 0.00 C ATOM 247 CD ARG A 16 0.623 6.336 -12.476 1.00 0.00 C ATOM 248 NE ARG A 16 0.328 7.692 -12.019 1.00 0.00 N ATOM 249 CZ ARG A 16 -0.593 8.476 -12.571 1.00 0.00 C ATOM 250 NH1 ARG A 16 -1.289 8.056 -13.623 1.00 0.00 N ATOM 251 NH2 ARG A 16 -0.807 9.687 -12.078 1.00 0.00 N ATOM 0 H ARG A 16 -2.819 4.990 -9.296 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.440 3.516 -9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.480 4.738 -11.392 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.196 6.266 -10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.302 5.613 -10.587 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.854 4.354 -11.721 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.612 6.314 -12.934 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.092 6.049 -13.247 1.00 0.00 H new ATOM 0 HE ARG A 16 0.860 8.059 -11.230 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.118 7.128 -14.010 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.994 8.662 -14.043 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.266 10.015 -11.278 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.513 10.292 -12.499 1.00 0.00 H new ATOM 265 N GLN A 17 -0.169 6.463 -8.023 1.00 0.00 N ATOM 266 CA GLN A 17 0.647 7.237 -7.097 1.00 0.00 C ATOM 267 C GLN A 17 0.903 6.437 -5.826 1.00 0.00 C ATOM 268 O GLN A 17 2.002 6.453 -5.279 1.00 0.00 O ATOM 269 CB GLN A 17 -0.040 8.560 -6.761 1.00 0.00 C ATOM 270 CG GLN A 17 0.794 9.459 -5.866 1.00 0.00 C ATOM 271 CD GLN A 17 2.006 10.046 -6.565 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.581 9.437 -7.471 1.00 0.00 O ATOM 273 NE2 GLN A 17 2.410 11.235 -6.146 1.00 0.00 N ATOM 0 H GLN A 17 -1.028 6.929 -8.316 1.00 0.00 H new ATOM 0 HA GLN A 17 1.604 7.454 -7.573 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.266 9.089 -7.687 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.992 8.353 -6.271 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.169 10.271 -5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.125 8.889 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.909 11.708 -5.394 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.222 11.678 -6.575 1.00 0.00 H new ATOM 282 N LEU A 18 -0.124 5.723 -5.399 1.00 0.00 N ATOM 283 CA LEU A 18 -0.065 4.873 -4.219 1.00 0.00 C ATOM 284 C LEU A 18 0.973 3.769 -4.404 1.00 0.00 C ATOM 285 O LEU A 18 1.813 3.532 -3.544 1.00 0.00 O ATOM 286 CB LEU A 18 -1.446 4.264 -3.986 1.00 0.00 C ATOM 287 CG LEU A 18 -1.835 3.984 -2.537 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.207 3.353 -2.490 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.823 3.095 -1.846 1.00 0.00 C ATOM 0 H LEU A 18 -1.031 5.716 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 18 0.229 5.469 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.191 4.935 -4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.503 3.328 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.853 4.934 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.481 3.155 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.935 4.032 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.196 2.417 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.136 2.919 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.756 2.143 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.152 3.582 -1.851 1.00 0.00 H new ATOM 301 N SER A 19 0.922 3.097 -5.539 1.00 0.00 N ATOM 302 CA SER A 19 1.863 2.027 -5.819 1.00 0.00 C ATOM 303 C SER A 19 3.290 2.574 -5.872 1.00 0.00 C ATOM 304 O SER A 19 4.264 1.849 -5.659 1.00 0.00 O ATOM 305 CB SER A 19 1.483 1.342 -7.135 1.00 0.00 C ATOM 306 OG SER A 19 1.985 2.047 -8.263 1.00 0.00 O ATOM 0 H SER A 19 0.242 3.271 -6.279 1.00 0.00 H new ATOM 0 HA SER A 19 1.821 1.288 -5.019 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.872 0.324 -7.140 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.398 1.269 -7.206 1.00 0.00 H new ATOM 0 HG SER A 19 1.776 3.000 -8.173 1.00 0.00 H new ATOM 312 N LEU A 20 3.392 3.873 -6.123 1.00 0.00 N ATOM 313 CA LEU A 20 4.672 4.549 -6.231 1.00 0.00 C ATOM 314 C LEU A 20 5.144 5.054 -4.867 1.00 0.00 C ATOM 315 O LEU A 20 6.344 5.138 -4.608 1.00 0.00 O ATOM 316 CB LEU A 20 4.551 5.698 -7.224 1.00 0.00 C ATOM 317 CG LEU A 20 4.197 5.276 -8.643 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.267 6.465 -9.573 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.109 4.162 -9.118 1.00 0.00 C ATOM 0 H LEU A 20 2.587 4.485 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 20 5.419 3.841 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.791 6.392 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.495 6.243 -7.246 1.00 0.00 H new ATOM 0 HG LEU A 20 3.176 4.894 -8.647 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.012 6.151 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.563 7.228 -9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.277 6.875 -9.564 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.837 3.877 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.143 4.507 -9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.004 3.300 -8.459 1.00 0.00 H new ATOM 331 N ASP A 21 4.199 5.392 -3.998 1.00 0.00 N ATOM 332 CA ASP A 21 4.525 5.812 -2.636 1.00 0.00 C ATOM 333 C ASP A 21 4.785 4.606 -1.738 1.00 0.00 C ATOM 334 O ASP A 21 5.618 4.664 -0.833 1.00 0.00 O ATOM 335 CB ASP A 21 3.458 6.757 -2.069 1.00 0.00 C ATOM 336 CG ASP A 21 2.064 6.172 -1.936 1.00 0.00 C ATOM 337 OD1 ASP A 21 1.907 5.094 -1.344 1.00 0.00 O ATOM 338 OD2 ASP A 21 1.111 6.842 -2.393 1.00 0.00 O ATOM 0 H ASP A 21 3.201 5.384 -4.210 1.00 0.00 H new ATOM 0 HA ASP A 21 5.452 6.384 -2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.785 7.096 -1.086 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.403 7.638 -2.708 1.00 0.00 H new ATOM 343 N ILE A 22 4.110 3.503 -2.016 1.00 0.00 N ATOM 344 CA ILE A 22 4.431 2.235 -1.384 1.00 0.00 C ATOM 345 C ILE A 22 5.816 1.778 -1.807 1.00 0.00 C ATOM 346 O ILE A 22 6.579 1.224 -1.015 1.00 0.00 O ATOM 347 CB ILE A 22 3.382 1.168 -1.755 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.285 1.141 -0.701 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.003 -0.210 -1.937 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.122 0.254 -1.069 1.00 0.00 C ATOM 0 H ILE A 22 3.334 3.461 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 22 4.419 2.371 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 22 2.948 1.441 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.708 0.800 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.921 2.156 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.225 -0.928 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.744 -0.172 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.485 -0.518 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.377 0.282 -0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.674 0.608 -1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.473 -0.769 -1.202 1.00 0.00 H new ATOM 362 N ASN A 23 6.136 2.036 -3.064 1.00 0.00 N ATOM 363 CA ASN A 23 7.428 1.676 -3.621 1.00 0.00 C ATOM 364 C ASN A 23 8.542 2.501 -2.973 1.00 0.00 C ATOM 365 O ASN A 23 9.721 2.155 -3.053 1.00 0.00 O ATOM 366 CB ASN A 23 7.396 1.896 -5.135 1.00 0.00 C ATOM 367 CG ASN A 23 8.679 1.493 -5.833 1.00 0.00 C ATOM 368 OD1 ASN A 23 8.854 0.333 -6.204 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.568 2.452 -6.043 1.00 0.00 N ATOM 0 H ASN A 23 5.511 2.499 -3.724 1.00 0.00 H new ATOM 0 HA ASN A 23 7.634 0.626 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.568 1.328 -5.559 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.197 2.949 -5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.439 2.242 -6.530 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.381 3.401 -5.718 1.00 0.00 H new ATOM 376 N LYS A 24 8.150 3.595 -2.329 1.00 0.00 N ATOM 377 CA LYS A 24 9.087 4.473 -1.647 1.00 0.00 C ATOM 378 C LYS A 24 9.427 3.952 -0.255 1.00 0.00 C ATOM 379 O LYS A 24 10.478 4.284 0.302 1.00 0.00 O ATOM 380 CB LYS A 24 8.499 5.876 -1.552 1.00 0.00 C ATOM 381 CG LYS A 24 8.655 6.694 -2.823 1.00 0.00 C ATOM 382 CD LYS A 24 7.846 7.986 -2.761 1.00 0.00 C ATOM 383 CE LYS A 24 8.130 8.894 -3.951 1.00 0.00 C ATOM 384 NZ LYS A 24 7.775 8.247 -5.245 1.00 0.00 N ATOM 0 H LYS A 24 7.177 3.895 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 24 10.010 4.502 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.439 5.800 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.979 6.406 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.708 6.930 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.332 6.102 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.783 7.747 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.079 8.516 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.566 9.821 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.186 9.163 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.904 8.928 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.390 7.423 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.783 7.937 -5.218 1.00 0.00 H new ATOM 398 N LEU A 25 8.537 3.138 0.297 1.00 0.00 N ATOM 399 CA LEU A 25 8.706 2.618 1.648 1.00 0.00 C ATOM 400 C LEU A 25 9.884 1.656 1.747 1.00 0.00 C ATOM 401 O LEU A 25 10.078 0.807 0.878 1.00 0.00 O ATOM 402 CB LEU A 25 7.437 1.905 2.116 1.00 0.00 C ATOM 403 CG LEU A 25 6.226 2.802 2.341 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.205 2.061 3.167 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.629 4.073 3.047 1.00 0.00 C ATOM 0 H LEU A 25 7.688 2.822 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 25 8.906 3.475 2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.174 1.147 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.657 1.381 3.046 1.00 0.00 H new ATOM 0 HG LEU A 25 5.798 3.067 1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.337 2.699 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.897 1.158 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.642 1.790 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.750 4.700 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.071 3.828 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.358 4.611 2.441 1.00 0.00 H new ATOM 417 N PRO A 26 10.699 1.796 2.813 1.00 0.00 N ATOM 418 CA PRO A 26 11.767 0.843 3.117 1.00 0.00 C ATOM 419 C PRO A 26 11.207 -0.490 3.612 1.00 0.00 C ATOM 420 O PRO A 26 10.065 -0.549 4.066 1.00 0.00 O ATOM 421 CB PRO A 26 12.570 1.528 4.225 1.00 0.00 C ATOM 422 CG PRO A 26 11.622 2.489 4.859 1.00 0.00 C ATOM 423 CD PRO A 26 10.646 2.904 3.788 1.00 0.00 C ATOM 0 HA PRO A 26 12.365 0.606 2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.939 0.802 4.950 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.440 2.043 3.819 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.103 2.024 5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.154 3.354 5.254 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.642 3.034 4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.932 3.852 3.332 1.00 0.00 H new ATOM 431 N GLY A 27 12.027 -1.536 3.544 1.00 0.00 N ATOM 432 CA GLY A 27 11.585 -2.890 3.857 1.00 0.00 C ATOM 433 C GLY A 27 10.783 -3.001 5.143 1.00 0.00 C ATOM 434 O GLY A 27 9.665 -3.518 5.146 1.00 0.00 O ATOM 0 H GLY A 27 13.008 -1.469 3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.979 -3.263 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.459 -3.538 3.930 1.00 0.00 H new ATOM 438 N GLU A 28 11.344 -2.510 6.235 1.00 0.00 N ATOM 439 CA GLU A 28 10.685 -2.579 7.530 1.00 0.00 C ATOM 440 C GLU A 28 9.341 -1.844 7.519 1.00 0.00 C ATOM 441 O GLU A 28 8.337 -2.361 8.014 1.00 0.00 O ATOM 442 CB GLU A 28 11.591 -2.038 8.645 1.00 0.00 C ATOM 443 CG GLU A 28 12.603 -0.999 8.205 1.00 0.00 C ATOM 444 CD GLU A 28 13.884 -1.591 7.646 1.00 0.00 C ATOM 445 OE1 GLU A 28 13.895 -2.018 6.473 1.00 0.00 O ATOM 446 OE2 GLU A 28 14.893 -1.611 8.377 1.00 0.00 O ATOM 0 H GLU A 28 12.258 -2.057 6.251 1.00 0.00 H new ATOM 0 HA GLU A 28 10.487 -3.631 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.963 -1.604 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.125 -2.875 9.096 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.148 -0.360 7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.849 -0.362 9.054 1.00 0.00 H new ATOM 453 N LYS A 29 9.303 -0.668 6.905 1.00 0.00 N ATOM 454 CA LYS A 29 8.086 0.137 6.893 1.00 0.00 C ATOM 455 C LYS A 29 7.061 -0.445 5.924 1.00 0.00 C ATOM 456 O LYS A 29 5.856 -0.276 6.097 1.00 0.00 O ATOM 457 CB LYS A 29 8.389 1.579 6.480 1.00 0.00 C ATOM 458 CG LYS A 29 8.622 2.556 7.626 1.00 0.00 C ATOM 459 CD LYS A 29 9.799 2.159 8.497 1.00 0.00 C ATOM 460 CE LYS A 29 10.539 3.385 9.011 1.00 0.00 C ATOM 461 NZ LYS A 29 9.646 4.311 9.755 1.00 0.00 N ATOM 0 H LYS A 29 10.093 -0.252 6.412 1.00 0.00 H new ATOM 0 HA LYS A 29 7.680 0.127 7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.273 1.577 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.560 1.947 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.794 3.553 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.723 2.613 8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.447 1.563 9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.483 1.531 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.354 3.068 9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.989 3.914 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.215 5.059 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.964 4.740 9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.133 3.783 10.489 1.00 0.00 H new ATOM 475 N LEU A 30 7.537 -1.144 4.910 1.00 0.00 N ATOM 476 CA LEU A 30 6.649 -1.676 3.892 1.00 0.00 C ATOM 477 C LEU A 30 6.037 -3.006 4.326 1.00 0.00 C ATOM 478 O LEU A 30 5.059 -3.469 3.745 1.00 0.00 O ATOM 479 CB LEU A 30 7.372 -1.725 2.530 1.00 0.00 C ATOM 480 CG LEU A 30 7.459 -3.055 1.766 1.00 0.00 C ATOM 481 CD1 LEU A 30 8.164 -2.804 0.449 1.00 0.00 C ATOM 482 CD2 LEU A 30 8.220 -4.120 2.542 1.00 0.00 C ATOM 0 H LEU A 30 8.525 -1.356 4.769 1.00 0.00 H new ATOM 0 HA LEU A 30 5.799 -1.005 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.883 -1.004 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.391 -1.372 2.689 1.00 0.00 H new ATOM 0 HG LEU A 30 6.445 -3.425 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.236 -3.738 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.599 -2.076 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.165 -2.418 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.253 -5.041 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.236 -3.775 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.717 -4.309 3.490 1.00 0.00 H new ATOM 494 N GLY A 31 6.588 -3.599 5.375 1.00 0.00 N ATOM 495 CA GLY A 31 5.961 -4.770 5.960 1.00 0.00 C ATOM 496 C GLY A 31 4.636 -4.413 6.607 1.00 0.00 C ATOM 497 O GLY A 31 3.807 -5.282 6.869 1.00 0.00 O ATOM 0 H GLY A 31 7.449 -3.295 5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.802 -5.524 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.626 -5.209 6.704 1.00 0.00 H new ATOM 501 N ARG A 32 4.437 -3.124 6.877 1.00 0.00 N ATOM 502 CA ARG A 32 3.155 -2.658 7.388 1.00 0.00 C ATOM 503 C ARG A 32 2.091 -2.663 6.305 1.00 0.00 C ATOM 504 O ARG A 32 0.964 -3.062 6.563 1.00 0.00 O ATOM 505 CB ARG A 32 3.249 -1.260 7.980 1.00 0.00 C ATOM 506 CG ARG A 32 1.924 -0.742 8.511 1.00 0.00 C ATOM 507 CD ARG A 32 2.047 -0.289 9.953 1.00 0.00 C ATOM 508 NE ARG A 32 2.280 -1.408 10.864 1.00 0.00 N ATOM 509 CZ ARG A 32 1.895 -1.421 12.139 1.00 0.00 C ATOM 510 NH1 ARG A 32 1.273 -0.370 12.659 1.00 0.00 N ATOM 511 NH2 ARG A 32 2.133 -2.485 12.892 1.00 0.00 N ATOM 0 H ARG A 32 5.139 -2.394 6.752 1.00 0.00 H new ATOM 0 HA ARG A 32 2.873 -3.355 8.177 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.980 -1.264 8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.620 -0.575 7.218 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.583 0.090 7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.169 -1.525 8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.866 0.425 10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.137 0.234 10.247 1.00 0.00 H new ATOM 0 HE ARG A 32 2.767 -2.228 10.502 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.089 0.451 12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.979 -0.383 13.636 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.611 -3.294 12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.838 -2.495 13.868 1.00 0.00 H new ATOM 525 N VAL A 33 2.432 -2.216 5.096 1.00 0.00 N ATOM 526 CA VAL A 33 1.451 -2.217 4.011 1.00 0.00 C ATOM 527 C VAL A 33 0.968 -3.631 3.749 1.00 0.00 C ATOM 528 O VAL A 33 -0.231 -3.867 3.662 1.00 0.00 O ATOM 529 CB VAL A 33 1.963 -1.589 2.695 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.246 -0.285 2.438 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.451 -1.334 2.708 1.00 0.00 C ATOM 0 H VAL A 33 3.354 -1.858 4.847 1.00 0.00 H new ATOM 0 HA VAL A 33 0.630 -1.586 4.350 1.00 0.00 H new ATOM 0 HB VAL A 33 1.757 -2.308 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.611 0.154 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.175 -0.469 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.435 0.403 3.263 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.753 -0.893 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.696 -0.650 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.980 -2.275 2.855 1.00 0.00 H new ATOM 541 N VAL A 34 1.907 -4.565 3.645 1.00 0.00 N ATOM 542 CA VAL A 34 1.574 -5.996 3.582 1.00 0.00 C ATOM 543 C VAL A 34 0.609 -6.366 4.716 1.00 0.00 C ATOM 544 O VAL A 34 -0.359 -7.082 4.501 1.00 0.00 O ATOM 545 CB VAL A 34 2.842 -6.913 3.660 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.102 -6.163 3.275 1.00 0.00 C ATOM 547 CG2 VAL A 34 3.001 -7.572 5.024 1.00 0.00 C ATOM 0 H VAL A 34 2.906 -4.364 3.602 1.00 0.00 H new ATOM 0 HA VAL A 34 1.101 -6.167 2.615 1.00 0.00 H new ATOM 0 HB VAL A 34 2.687 -7.709 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.959 -6.833 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.008 -5.794 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.246 -5.321 3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.894 -8.196 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.095 -6.803 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.127 -8.189 5.234 1.00 0.00 H new ATOM 557 N HIS A 35 0.861 -5.837 5.913 1.00 0.00 N ATOM 558 CA HIS A 35 0.062 -6.171 7.083 1.00 0.00 C ATOM 559 C HIS A 35 -1.325 -5.547 6.988 1.00 0.00 C ATOM 560 O HIS A 35 -2.324 -6.210 7.245 1.00 0.00 O ATOM 561 CB HIS A 35 0.770 -5.717 8.364 1.00 0.00 C ATOM 562 CG HIS A 35 0.019 -6.043 9.618 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.002 -7.300 10.184 1.00 0.00 N ATOM 564 CD2 HIS A 35 -0.753 -5.265 10.410 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.750 -7.282 11.267 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.219 -6.059 11.426 1.00 0.00 N ATOM 0 H HIS A 35 1.615 -5.174 6.094 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.055 -7.254 7.118 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.754 -6.184 8.409 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.930 -4.640 8.317 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.963 -4.215 10.269 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.948 -8.124 11.913 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.830 -5.753 12.183 1.00 0.00 H new ATOM 575 N ILE A 36 -1.378 -4.270 6.627 1.00 0.00 N ATOM 576 CA ILE A 36 -2.647 -3.582 6.429 1.00 0.00 C ATOM 577 C ILE A 36 -3.449 -4.290 5.356 1.00 0.00 C ATOM 578 O ILE A 36 -4.633 -4.560 5.517 1.00 0.00 O ATOM 579 CB ILE A 36 -2.439 -2.115 6.000 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.655 -1.371 7.079 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.786 -1.445 5.744 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.128 -0.032 6.635 1.00 0.00 C ATOM 0 H ILE A 36 -0.555 -3.690 6.465 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.180 -3.595 7.380 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.867 -2.087 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.297 -1.228 7.948 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.818 -1.992 7.400 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.626 -0.410 5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.312 -1.977 4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.383 -1.469 6.656 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.583 0.435 7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.459 -0.168 5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.960 0.608 6.342 1.00 0.00 H new ATOM 594 N ILE A 37 -2.769 -4.597 4.274 1.00 0.00 N ATOM 595 CA ILE A 37 -3.363 -5.292 3.156 1.00 0.00 C ATOM 596 C ILE A 37 -3.865 -6.677 3.568 1.00 0.00 C ATOM 597 O ILE A 37 -5.052 -6.918 3.535 1.00 0.00 O ATOM 598 CB ILE A 37 -2.350 -5.370 2.002 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.250 -4.009 1.322 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.727 -6.447 1.012 1.00 0.00 C ATOM 601 CD1 ILE A 37 -0.981 -3.815 0.546 1.00 0.00 C ATOM 0 H ILE A 37 -1.783 -4.370 4.145 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.234 -4.734 2.812 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.374 -5.637 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.099 -3.885 0.650 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.326 -3.228 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.991 -6.476 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.752 -7.413 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.711 -6.230 0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.981 -2.825 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.127 -3.906 1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.912 -4.573 -0.234 1.00 0.00 H new ATOM 613 N GLN A 38 -2.974 -7.562 3.994 1.00 0.00 N ATOM 614 CA GLN A 38 -3.364 -8.914 4.424 1.00 0.00 C ATOM 615 C GLN A 38 -4.513 -8.891 5.443 1.00 0.00 C ATOM 616 O GLN A 38 -5.405 -9.739 5.397 1.00 0.00 O ATOM 617 CB GLN A 38 -2.175 -9.653 5.049 1.00 0.00 C ATOM 618 CG GLN A 38 -1.056 -9.975 4.079 1.00 0.00 C ATOM 619 CD GLN A 38 0.116 -10.656 4.759 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.265 -10.470 4.374 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.169 -11.473 5.762 1.00 0.00 N ATOM 0 H GLN A 38 -1.973 -7.375 4.054 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.701 -9.434 3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.772 -9.047 5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.533 -10.582 5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.438 -10.619 3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.714 -9.055 3.604 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.137 -11.603 6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.580 -11.972 6.242 1.00 0.00 H new ATOM 630 N SER A 39 -4.488 -7.929 6.362 1.00 0.00 N ATOM 631 CA SER A 39 -5.494 -7.864 7.420 1.00 0.00 C ATOM 632 C SER A 39 -6.833 -7.353 6.886 1.00 0.00 C ATOM 633 O SER A 39 -7.890 -7.902 7.207 1.00 0.00 O ATOM 634 CB SER A 39 -5.005 -6.973 8.567 1.00 0.00 C ATOM 635 OG SER A 39 -4.778 -5.642 8.140 1.00 0.00 O ATOM 0 H SER A 39 -3.788 -7.188 6.396 1.00 0.00 H new ATOM 0 HA SER A 39 -5.647 -8.875 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.743 -6.976 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.084 -7.384 8.979 1.00 0.00 H new ATOM 0 HG SER A 39 -3.847 -5.546 7.849 1.00 0.00 H new ATOM 641 N ARG A 40 -6.780 -6.302 6.078 1.00 0.00 N ATOM 642 CA ARG A 40 -7.984 -5.710 5.504 1.00 0.00 C ATOM 643 C ARG A 40 -8.454 -6.507 4.293 1.00 0.00 C ATOM 644 O ARG A 40 -9.594 -6.373 3.849 1.00 0.00 O ATOM 645 CB ARG A 40 -7.726 -4.241 5.147 1.00 0.00 C ATOM 646 CG ARG A 40 -7.430 -3.416 6.375 1.00 0.00 C ATOM 647 CD ARG A 40 -7.155 -1.964 6.056 1.00 0.00 C ATOM 648 NE ARG A 40 -8.391 -1.182 6.044 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.504 0.053 6.542 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.436 0.700 6.993 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.691 0.637 6.605 1.00 0.00 N ATOM 0 H ARG A 40 -5.913 -5.840 5.804 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.783 -5.744 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.888 -4.176 4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.597 -3.832 4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.275 -3.478 7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.568 -3.839 6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.467 -1.551 6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.664 -1.889 5.086 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.220 -1.607 5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.519 0.255 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.533 1.642 7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.520 0.144 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.776 1.580 6.985 1.00 0.00 H new ATOM 665 N GLU A 41 -7.564 -7.343 3.786 1.00 0.00 N ATOM 666 CA GLU A 41 -7.855 -8.231 2.671 1.00 0.00 C ATOM 667 C GLU A 41 -7.583 -9.671 3.083 1.00 0.00 C ATOM 668 O GLU A 41 -6.570 -10.250 2.684 1.00 0.00 O ATOM 669 CB GLU A 41 -6.961 -7.904 1.480 1.00 0.00 C ATOM 670 CG GLU A 41 -6.831 -6.429 1.177 1.00 0.00 C ATOM 671 CD GLU A 41 -8.106 -5.810 0.628 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.969 -6.562 0.121 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.251 -4.571 0.704 1.00 0.00 O ATOM 0 H GLU A 41 -6.611 -7.426 4.139 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.901 -8.100 2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.968 -8.312 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.354 -8.409 0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.543 -5.903 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.026 -6.283 0.457 1.00 0.00 H new ATOM 680 N PRO A 42 -8.471 -10.290 3.872 1.00 0.00 N ATOM 681 CA PRO A 42 -8.227 -11.637 4.375 1.00 0.00 C ATOM 682 C PRO A 42 -8.242 -12.678 3.256 1.00 0.00 C ATOM 683 O PRO A 42 -7.932 -13.848 3.475 1.00 0.00 O ATOM 684 CB PRO A 42 -9.357 -11.904 5.373 1.00 0.00 C ATOM 685 CG PRO A 42 -10.324 -10.763 5.265 1.00 0.00 C ATOM 686 CD PRO A 42 -9.759 -9.735 4.315 1.00 0.00 C ATOM 0 HA PRO A 42 -7.241 -11.710 4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.851 -12.850 5.150 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.964 -11.981 6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.289 -11.119 4.905 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.494 -10.318 6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.428 -9.569 3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.625 -8.773 4.809 1.00 0.00 H new ATOM 694 N SER A 43 -8.595 -12.239 2.056 1.00 0.00 N ATOM 695 CA SER A 43 -8.585 -13.103 0.889 1.00 0.00 C ATOM 696 C SER A 43 -7.154 -13.366 0.419 1.00 0.00 C ATOM 697 O SER A 43 -6.904 -14.303 -0.339 1.00 0.00 O ATOM 698 CB SER A 43 -9.405 -12.464 -0.230 1.00 0.00 C ATOM 699 OG SER A 43 -10.700 -12.124 0.233 1.00 0.00 O ATOM 0 H SER A 43 -8.894 -11.282 1.867 1.00 0.00 H new ATOM 0 HA SER A 43 -9.031 -14.060 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.898 -11.571 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.483 -13.154 -1.071 1.00 0.00 H new ATOM 0 HG SER A 43 -11.211 -11.714 -0.496 1.00 0.00 H new ATOM 705 N LEU A 44 -6.212 -12.542 0.874 1.00 0.00 N ATOM 706 CA LEU A 44 -4.811 -12.731 0.529 1.00 0.00 C ATOM 707 C LEU A 44 -3.972 -13.007 1.777 1.00 0.00 C ATOM 708 O LEU A 44 -2.761 -12.804 1.789 1.00 0.00 O ATOM 709 CB LEU A 44 -4.281 -11.519 -0.262 1.00 0.00 C ATOM 710 CG LEU A 44 -4.381 -10.155 0.399 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.085 -9.812 1.100 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.716 -9.101 -0.645 1.00 0.00 C ATOM 0 H LEU A 44 -6.396 -11.742 1.479 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.727 -13.607 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.233 -11.703 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.818 -11.474 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.176 -10.180 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.173 -8.832 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.875 -10.561 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.272 -9.795 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.787 -8.124 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.933 -9.078 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.669 -9.344 -1.115 1.00 0.00 H new ATOM 724 N LYS A 45 -4.630 -13.518 2.816 1.00 0.00 N ATOM 725 CA LYS A 45 -3.971 -13.800 4.092 1.00 0.00 C ATOM 726 C LYS A 45 -2.930 -14.915 3.966 1.00 0.00 C ATOM 727 O LYS A 45 -2.039 -15.033 4.804 1.00 0.00 O ATOM 728 CB LYS A 45 -4.998 -14.200 5.154 1.00 0.00 C ATOM 729 CG LYS A 45 -5.658 -15.544 4.892 1.00 0.00 C ATOM 730 CD LYS A 45 -6.529 -15.994 6.053 1.00 0.00 C ATOM 731 CE LYS A 45 -5.691 -16.488 7.224 1.00 0.00 C ATOM 732 NZ LYS A 45 -5.236 -15.384 8.115 1.00 0.00 N ATOM 0 H LYS A 45 -5.624 -13.746 2.800 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.464 -12.883 4.391 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.508 -14.230 6.127 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.769 -13.431 5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.265 -15.478 3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.889 -16.294 4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.158 -15.166 6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.196 -16.790 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.274 -17.202 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.821 -17.023 6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.204 -15.277 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.698 -14.496 7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.487 -15.606 9.099 1.00 0.00 H new ATOM 746 N ASN A 46 -3.053 -15.746 2.934 1.00 0.00 N ATOM 747 CA ASN A 46 -2.121 -16.853 2.729 1.00 0.00 C ATOM 748 C ASN A 46 -0.801 -16.341 2.162 1.00 0.00 C ATOM 749 O ASN A 46 0.227 -17.012 2.239 1.00 0.00 O ATOM 750 CB ASN A 46 -2.736 -17.904 1.797 1.00 0.00 C ATOM 751 CG ASN A 46 -1.843 -19.117 1.595 1.00 0.00 C ATOM 752 OD1 ASN A 46 -1.878 -20.066 2.378 1.00 0.00 O ATOM 753 ND2 ASN A 46 -1.055 -19.109 0.532 1.00 0.00 N ATOM 0 H ASN A 46 -3.786 -15.675 2.228 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.922 -17.321 3.693 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.693 -18.229 2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.942 -17.447 0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.450 -19.907 0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.053 -18.305 -0.095 1.00 0.00 H new ATOM 760 N SER A 47 -0.836 -15.141 1.606 1.00 0.00 N ATOM 761 CA SER A 47 0.360 -14.522 1.057 1.00 0.00 C ATOM 762 C SER A 47 1.329 -14.160 2.181 1.00 0.00 C ATOM 763 O SER A 47 0.921 -13.647 3.224 1.00 0.00 O ATOM 764 CB SER A 47 -0.019 -13.283 0.249 1.00 0.00 C ATOM 765 OG SER A 47 -0.844 -13.631 -0.853 1.00 0.00 O ATOM 0 H SER A 47 -1.681 -14.575 1.523 1.00 0.00 H new ATOM 0 HA SER A 47 0.856 -15.230 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.541 -12.572 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.883 -12.787 -0.109 1.00 0.00 H new ATOM 0 HG SER A 47 -1.076 -12.823 -1.356 1.00 0.00 H new ATOM 771 N ASN A 48 2.606 -14.446 1.970 1.00 0.00 N ATOM 772 CA ASN A 48 3.619 -14.234 2.997 1.00 0.00 C ATOM 773 C ASN A 48 3.885 -12.746 3.167 1.00 0.00 C ATOM 774 O ASN A 48 4.035 -12.024 2.183 1.00 0.00 O ATOM 775 CB ASN A 48 4.926 -14.939 2.617 1.00 0.00 C ATOM 776 CG ASN A 48 4.714 -16.350 2.099 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.534 -16.559 0.900 1.00 0.00 O ATOM 778 ND2 ASN A 48 4.746 -17.328 2.989 1.00 0.00 N ATOM 0 H ASN A 48 2.967 -14.826 1.095 1.00 0.00 H new ATOM 0 HA ASN A 48 3.248 -14.650 3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.440 -14.352 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.580 -14.973 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.619 -18.295 2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.898 -17.115 3.975 1.00 0.00 H new ATOM 785 N PRO A 49 3.954 -12.268 4.423 1.00 0.00 N ATOM 786 CA PRO A 49 4.194 -10.850 4.723 1.00 0.00 C ATOM 787 C PRO A 49 5.532 -10.342 4.188 1.00 0.00 C ATOM 788 O PRO A 49 5.756 -9.135 4.089 1.00 0.00 O ATOM 789 CB PRO A 49 4.181 -10.786 6.255 1.00 0.00 C ATOM 790 CG PRO A 49 4.358 -12.189 6.718 1.00 0.00 C ATOM 791 CD PRO A 49 3.774 -13.064 5.648 1.00 0.00 C ATOM 0 HA PRO A 49 3.443 -10.219 4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.982 -10.147 6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.243 -10.368 6.622 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.413 -12.417 6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.853 -12.350 7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.291 -14.022 5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.722 -13.281 5.836 1.00 0.00 H new ATOM 799 N ASP A 50 6.421 -11.265 3.860 1.00 0.00 N ATOM 800 CA ASP A 50 7.723 -10.911 3.303 1.00 0.00 C ATOM 801 C ASP A 50 7.704 -10.981 1.778 1.00 0.00 C ATOM 802 O ASP A 50 8.673 -10.604 1.120 1.00 0.00 O ATOM 803 CB ASP A 50 8.812 -11.848 3.839 1.00 0.00 C ATOM 804 CG ASP A 50 9.109 -11.641 5.312 1.00 0.00 C ATOM 805 OD1 ASP A 50 8.313 -12.095 6.158 1.00 0.00 O ATOM 806 OD2 ASP A 50 10.152 -11.032 5.632 1.00 0.00 O ATOM 0 H ASP A 50 6.268 -12.268 3.969 1.00 0.00 H new ATOM 0 HA ASP A 50 7.944 -9.888 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.504 -12.881 3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.727 -11.696 3.266 1.00 0.00 H new ATOM 811 N GLU A 51 6.598 -11.458 1.216 1.00 0.00 N ATOM 812 CA GLU A 51 6.512 -11.723 -0.202 1.00 0.00 C ATOM 813 C GLU A 51 5.156 -11.283 -0.739 1.00 0.00 C ATOM 814 O GLU A 51 4.627 -11.871 -1.684 1.00 0.00 O ATOM 815 CB GLU A 51 6.720 -13.212 -0.438 1.00 0.00 C ATOM 816 CG GLU A 51 8.166 -13.658 -0.290 1.00 0.00 C ATOM 817 CD GLU A 51 8.300 -15.139 -0.010 1.00 0.00 C ATOM 818 OE1 GLU A 51 8.312 -15.936 -0.970 1.00 0.00 O ATOM 819 OE2 GLU A 51 8.403 -15.512 1.179 1.00 0.00 O ATOM 0 H GLU A 51 5.745 -11.668 1.734 1.00 0.00 H new ATOM 0 HA GLU A 51 7.283 -11.160 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.103 -13.772 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.372 -13.464 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.711 -13.415 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.633 -13.097 0.519 1.00 0.00 H new ATOM 826 N ILE A 52 4.590 -10.267 -0.103 1.00 0.00 N ATOM 827 CA ILE A 52 3.238 -9.833 -0.405 1.00 0.00 C ATOM 828 C ILE A 52 3.116 -9.262 -1.812 1.00 0.00 C ATOM 829 O ILE A 52 4.072 -8.730 -2.386 1.00 0.00 O ATOM 830 CB ILE A 52 2.727 -8.806 0.634 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.215 -8.926 0.811 1.00 0.00 C ATOM 832 CG2 ILE A 52 3.073 -7.393 0.216 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.767 -10.283 1.256 1.00 0.00 C ATOM 0 H ILE A 52 5.051 -9.727 0.629 1.00 0.00 H new ATOM 0 HA ILE A 52 2.611 -10.723 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 52 3.219 -9.024 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.884 -8.187 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.727 -8.684 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.703 -6.691 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.155 -7.294 0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.611 -7.175 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.318 -10.292 1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.067 -11.026 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.226 -10.521 2.216 1.00 0.00 H new ATOM 845 N GLU A 53 1.928 -9.411 -2.356 1.00 0.00 N ATOM 846 CA GLU A 53 1.589 -8.862 -3.651 1.00 0.00 C ATOM 847 C GLU A 53 0.476 -7.846 -3.473 1.00 0.00 C ATOM 848 O GLU A 53 -0.694 -8.208 -3.352 1.00 0.00 O ATOM 849 CB GLU A 53 1.131 -9.970 -4.601 1.00 0.00 C ATOM 850 CG GLU A 53 2.200 -11.008 -4.903 1.00 0.00 C ATOM 851 CD GLU A 53 3.316 -10.470 -5.773 1.00 0.00 C ATOM 852 OE1 GLU A 53 3.030 -10.008 -6.899 1.00 0.00 O ATOM 853 OE2 GLU A 53 4.489 -10.525 -5.347 1.00 0.00 O ATOM 0 H GLU A 53 1.165 -9.920 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 53 2.469 -8.384 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.265 -10.471 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.803 -9.519 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.621 -11.372 -3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.740 -11.862 -5.399 1.00 0.00 H new ATOM 860 N ILE A 54 0.844 -6.579 -3.425 1.00 0.00 N ATOM 861 CA ILE A 54 -0.118 -5.520 -3.257 1.00 0.00 C ATOM 862 C ILE A 54 -0.910 -5.330 -4.546 1.00 0.00 C ATOM 863 O ILE A 54 -0.412 -4.755 -5.519 1.00 0.00 O ATOM 864 CB ILE A 54 0.580 -4.202 -2.899 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.473 -4.370 -1.670 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.444 -3.111 -2.670 1.00 0.00 C ATOM 867 CD1 ILE A 54 2.079 -3.063 -1.209 1.00 0.00 C ATOM 0 H ILE A 54 1.811 -6.263 -3.501 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.790 -5.797 -2.445 1.00 0.00 H new ATOM 0 HB ILE A 54 1.215 -3.914 -3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.889 -4.802 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.271 -5.076 -1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.065 -2.181 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.032 -2.967 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.104 -3.398 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.704 -3.240 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.687 -2.642 -2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.283 -2.364 -0.951 1.00 0.00 H new ATOM 879 N ASP A 55 -2.130 -5.831 -4.561 1.00 0.00 N ATOM 880 CA ASP A 55 -2.983 -5.708 -5.732 1.00 0.00 C ATOM 881 C ASP A 55 -3.961 -4.560 -5.535 1.00 0.00 C ATOM 882 O ASP A 55 -4.996 -4.714 -4.892 1.00 0.00 O ATOM 883 CB ASP A 55 -3.742 -7.012 -5.991 1.00 0.00 C ATOM 884 CG ASP A 55 -4.565 -6.952 -7.263 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.581 -6.236 -7.285 1.00 0.00 O ATOM 886 OD2 ASP A 55 -4.195 -7.623 -8.245 1.00 0.00 O ATOM 0 H ASP A 55 -2.554 -6.327 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.357 -5.502 -6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.032 -7.837 -6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.397 -7.223 -5.146 1.00 0.00 H new ATOM 891 N PHE A 56 -3.627 -3.413 -6.107 1.00 0.00 N ATOM 892 CA PHE A 56 -4.378 -2.185 -5.876 1.00 0.00 C ATOM 893 C PHE A 56 -5.760 -2.210 -6.522 1.00 0.00 C ATOM 894 O PHE A 56 -6.574 -1.319 -6.289 1.00 0.00 O ATOM 895 CB PHE A 56 -3.586 -0.990 -6.390 1.00 0.00 C ATOM 896 CG PHE A 56 -2.281 -0.802 -5.678 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.255 -0.229 -4.423 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.089 -1.202 -6.250 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.078 -0.049 -3.750 1.00 0.00 C ATOM 900 CE2 PHE A 56 0.102 -1.024 -5.576 1.00 0.00 C ATOM 901 CZ PHE A 56 0.104 -0.446 -4.322 1.00 0.00 C ATOM 0 H PHE A 56 -2.834 -3.306 -6.740 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.529 -2.098 -4.800 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.397 -1.118 -7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.187 -0.088 -6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.181 0.083 -3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.089 -1.656 -7.230 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.079 0.405 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.031 -1.336 -6.029 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.035 -0.307 -3.792 1.00 0.00 H new ATOM 911 N GLU A 57 -6.030 -3.227 -7.324 1.00 0.00 N ATOM 912 CA GLU A 57 -7.313 -3.343 -7.988 1.00 0.00 C ATOM 913 C GLU A 57 -8.300 -4.101 -7.115 1.00 0.00 C ATOM 914 O GLU A 57 -9.513 -3.903 -7.213 1.00 0.00 O ATOM 915 CB GLU A 57 -7.139 -4.040 -9.337 1.00 0.00 C ATOM 916 CG GLU A 57 -6.337 -3.224 -10.341 1.00 0.00 C ATOM 917 CD GLU A 57 -7.014 -1.925 -10.751 1.00 0.00 C ATOM 918 OE1 GLU A 57 -7.966 -1.482 -10.067 1.00 0.00 O ATOM 919 OE2 GLU A 57 -6.590 -1.332 -11.769 1.00 0.00 O ATOM 0 H GLU A 57 -5.376 -3.983 -7.529 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.713 -2.344 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.644 -4.998 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.122 -4.254 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.361 -2.996 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.162 -3.829 -11.231 1.00 0.00 H new ATOM 926 N THR A 58 -7.779 -4.970 -6.264 1.00 0.00 N ATOM 927 CA THR A 58 -8.614 -5.722 -5.346 1.00 0.00 C ATOM 928 C THR A 58 -8.618 -5.094 -3.954 1.00 0.00 C ATOM 929 O THR A 58 -9.589 -5.246 -3.211 1.00 0.00 O ATOM 930 CB THR A 58 -8.167 -7.193 -5.260 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.760 -7.263 -5.009 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.492 -7.932 -6.549 1.00 0.00 C ATOM 0 H THR A 58 -6.782 -5.171 -6.191 1.00 0.00 H new ATOM 0 HA THR A 58 -9.630 -5.692 -5.740 1.00 0.00 H new ATOM 0 HB THR A 58 -8.707 -7.667 -4.440 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.484 -8.202 -4.954 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.167 -8.969 -6.466 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.567 -7.901 -6.725 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.975 -7.456 -7.382 1.00 0.00 H new ATOM 940 N LEU A 59 -7.536 -4.390 -3.606 1.00 0.00 N ATOM 941 CA LEU A 59 -7.466 -3.665 -2.339 1.00 0.00 C ATOM 942 C LEU A 59 -8.652 -2.734 -2.202 1.00 0.00 C ATOM 943 O LEU A 59 -8.944 -1.946 -3.106 1.00 0.00 O ATOM 944 CB LEU A 59 -6.176 -2.874 -2.236 1.00 0.00 C ATOM 945 CG LEU A 59 -4.932 -3.736 -2.150 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.698 -2.881 -2.025 1.00 0.00 C ATOM 947 CD2 LEU A 59 -5.048 -4.699 -0.985 1.00 0.00 C ATOM 0 H LEU A 59 -6.700 -4.309 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.488 -4.396 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.093 -2.219 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.224 -2.233 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.842 -4.315 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.817 -3.520 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.616 -2.231 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.767 -2.272 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.150 -5.314 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.159 -4.137 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.918 -5.339 -1.128 1.00 0.00 H new ATOM 959 N LYS A 60 -9.350 -2.848 -1.088 1.00 0.00 N ATOM 960 CA LYS A 60 -10.504 -2.010 -0.833 1.00 0.00 C ATOM 961 C LYS A 60 -10.079 -0.559 -0.698 1.00 0.00 C ATOM 962 O LYS A 60 -8.956 -0.282 -0.267 1.00 0.00 O ATOM 963 CB LYS A 60 -11.223 -2.458 0.441 1.00 0.00 C ATOM 964 CG LYS A 60 -11.834 -3.842 0.340 1.00 0.00 C ATOM 965 CD LYS A 60 -12.584 -4.217 1.604 1.00 0.00 C ATOM 966 CE LYS A 60 -11.664 -4.276 2.810 1.00 0.00 C ATOM 967 NZ LYS A 60 -12.380 -4.748 4.021 1.00 0.00 N ATOM 0 H LYS A 60 -9.137 -3.514 -0.345 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.189 -2.106 -1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.517 -2.442 1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.008 -1.740 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.514 -3.879 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.048 -4.574 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.375 -3.490 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.066 -5.185 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.828 -4.942 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.244 -3.288 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.721 -4.776 4.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.163 -4.098 4.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.759 -5.701 3.851 1.00 0.00 H new ATOM 981 N PRO A 61 -10.952 0.388 -1.081 1.00 0.00 N ATOM 982 CA PRO A 61 -10.696 1.812 -0.887 1.00 0.00 C ATOM 983 C PRO A 61 -10.197 2.097 0.526 1.00 0.00 C ATOM 984 O PRO A 61 -9.333 2.948 0.736 1.00 0.00 O ATOM 985 CB PRO A 61 -12.063 2.457 -1.117 1.00 0.00 C ATOM 986 CG PRO A 61 -12.794 1.518 -2.010 1.00 0.00 C ATOM 987 CD PRO A 61 -12.238 0.139 -1.757 1.00 0.00 C ATOM 0 HA PRO A 61 -9.924 2.193 -1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.594 2.599 -0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.962 3.440 -1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.864 1.545 -1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.663 1.800 -3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.908 -0.453 -1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.099 -0.412 -2.687 1.00 0.00 H new ATOM 995 N SER A 62 -10.740 1.347 1.478 1.00 0.00 N ATOM 996 CA SER A 62 -10.336 1.428 2.870 1.00 0.00 C ATOM 997 C SER A 62 -8.832 1.199 3.023 1.00 0.00 C ATOM 998 O SER A 62 -8.120 2.024 3.601 1.00 0.00 O ATOM 999 CB SER A 62 -11.100 0.377 3.667 1.00 0.00 C ATOM 1000 OG SER A 62 -12.462 0.339 3.279 1.00 0.00 O ATOM 0 H SER A 62 -11.476 0.663 1.301 1.00 0.00 H new ATOM 0 HA SER A 62 -10.564 2.426 3.245 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.647 -0.602 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.027 0.598 4.732 1.00 0.00 H new ATOM 0 HG SER A 62 -12.932 -0.343 3.802 1.00 0.00 H new ATOM 1006 N THR A 63 -8.358 0.075 2.493 1.00 0.00 N ATOM 1007 CA THR A 63 -6.954 -0.283 2.579 1.00 0.00 C ATOM 1008 C THR A 63 -6.110 0.722 1.821 1.00 0.00 C ATOM 1009 O THR A 63 -5.140 1.235 2.353 1.00 0.00 O ATOM 1010 CB THR A 63 -6.705 -1.696 2.009 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.844 -2.523 2.292 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.455 -2.331 2.611 1.00 0.00 C ATOM 0 H THR A 63 -8.934 -0.605 1.997 1.00 0.00 H new ATOM 0 HA THR A 63 -6.672 -0.277 3.632 1.00 0.00 H new ATOM 0 HB THR A 63 -6.553 -1.610 0.933 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.015 -3.116 1.531 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.311 -3.325 2.187 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.587 -1.711 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.572 -2.412 3.692 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.516 1.028 0.594 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.768 1.942 -0.258 1.00 0.00 C ATOM 1022 C LEU A 64 -5.592 3.303 0.406 1.00 0.00 C ATOM 1023 O LEU A 64 -4.489 3.849 0.425 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.470 2.098 -1.604 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.538 0.830 -2.446 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.388 1.059 -3.677 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.143 0.398 -2.843 1.00 0.00 C ATOM 0 H LEU A 64 -7.363 0.654 0.166 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.777 1.518 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.485 2.454 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.956 2.870 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.997 0.039 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.427 0.144 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.397 1.339 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.953 1.859 -4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.200 -0.509 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.669 1.189 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.554 0.202 -1.947 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.672 3.846 0.961 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.605 5.130 1.644 1.00 0.00 C ATOM 1041 C ARG A 65 -5.715 5.038 2.877 1.00 0.00 C ATOM 1042 O ARG A 65 -5.117 6.031 3.294 1.00 0.00 O ATOM 1043 CB ARG A 65 -8.000 5.619 2.023 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.845 6.050 0.831 1.00 0.00 C ATOM 1045 CD ARG A 65 -8.288 7.301 0.163 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.013 7.646 -1.059 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.543 8.479 -1.990 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.385 9.103 -1.809 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.226 8.697 -3.106 1.00 0.00 N ATOM 0 H ARG A 65 -7.598 3.418 0.950 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.167 5.855 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.521 4.824 2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.906 6.458 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.888 5.239 0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.867 6.238 1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.339 8.136 0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.235 7.146 -0.073 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.930 7.226 -1.209 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.850 8.947 -0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.031 9.738 -2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.118 8.226 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.859 9.335 -3.812 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.625 3.843 3.451 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.733 3.598 4.569 1.00 0.00 C ATOM 1065 C GLU A 66 -3.286 3.516 4.087 1.00 0.00 C ATOM 1066 O GLU A 66 -2.451 4.283 4.537 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.133 2.309 5.290 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.203 1.930 6.427 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.179 2.968 7.529 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.245 3.226 8.121 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.102 3.531 7.807 1.00 0.00 O ATOM 0 H GLU A 66 -6.163 3.028 3.156 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.814 4.428 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.144 2.422 5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.160 1.493 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.514 0.972 6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.194 1.796 6.037 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.012 2.593 3.156 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.679 2.425 2.562 1.00 0.00 C ATOM 1080 C LEU A 67 -1.089 3.789 2.177 1.00 0.00 C ATOM 1081 O LEU A 67 0.022 4.124 2.576 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.778 1.514 1.326 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.657 0.280 1.508 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.860 -0.424 0.189 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.038 -0.679 2.506 1.00 0.00 C ATOM 0 H LEU A 67 -3.708 1.942 2.793 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.017 1.962 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.165 2.099 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.775 1.190 1.050 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.623 0.610 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.489 -1.302 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.343 0.254 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.894 -0.734 -0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.682 -1.551 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.058 -0.995 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.928 -0.181 3.469 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.871 4.583 1.443 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.460 5.927 1.023 1.00 0.00 C ATOM 1099 C GLU A 68 -1.141 6.820 2.229 1.00 0.00 C ATOM 1100 O GLU A 68 -0.030 7.319 2.370 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.576 6.568 0.192 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.267 7.974 -0.292 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.494 8.691 -0.821 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -4.395 9.013 -0.013 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.558 8.953 -2.039 1.00 0.00 O ATOM 0 H GLU A 68 -2.802 4.316 1.124 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.555 5.832 0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.778 5.935 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.488 6.594 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.839 8.551 0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.512 7.927 -1.077 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.122 7.017 3.100 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.946 7.848 4.295 1.00 0.00 C ATOM 1114 C ARG A 69 -0.837 7.311 5.185 1.00 0.00 C ATOM 1115 O ARG A 69 -0.175 8.059 5.909 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.252 7.898 5.073 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.159 9.059 4.700 1.00 0.00 C ATOM 1118 CD ARG A 69 -3.929 10.255 5.610 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.547 10.734 5.563 1.00 0.00 N ATOM 1120 CZ ARG A 69 -1.964 11.422 6.542 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -2.650 11.756 7.629 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -0.696 11.784 6.428 1.00 0.00 N ATOM 0 H ARG A 69 -3.054 6.613 3.005 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.664 8.852 3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.792 6.965 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.025 7.957 6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -3.977 9.347 3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.201 8.745 4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.601 11.063 5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.182 9.982 6.635 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.997 10.528 4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.629 11.485 7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.197 12.283 8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.168 11.536 5.591 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.247 12.311 7.177 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.622 6.019 5.117 1.00 0.00 N ATOM 1137 CA TYR A 70 0.397 5.387 5.911 1.00 0.00 C ATOM 1138 C TYR A 70 1.771 5.749 5.379 1.00 0.00 C ATOM 1139 O TYR A 70 2.639 6.186 6.134 1.00 0.00 O ATOM 1140 CB TYR A 70 0.220 3.878 5.915 1.00 0.00 C ATOM 1141 CG TYR A 70 1.426 3.177 6.449 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.810 3.325 7.773 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.202 2.405 5.615 1.00 0.00 C ATOM 1144 CE1 TYR A 70 2.940 2.709 8.254 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.336 1.787 6.080 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.704 1.943 7.405 1.00 0.00 C ATOM 1147 OH TYR A 70 4.841 1.337 7.881 1.00 0.00 O ATOM 0 H TYR A 70 -1.145 5.383 4.515 1.00 0.00 H new ATOM 0 HA TYR A 70 0.305 5.746 6.936 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.649 3.616 6.519 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.019 3.533 4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.212 3.933 8.436 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.915 2.284 4.581 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.226 2.825 9.289 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.937 1.183 5.416 1.00 0.00 H new ATOM 0 HH TYR A 70 5.410 1.072 7.128 1.00 0.00 H new ATOM 1157 N VAL A 71 1.969 5.593 4.079 1.00 0.00 N ATOM 1158 CA VAL A 71 3.253 5.915 3.492 1.00 0.00 C ATOM 1159 C VAL A 71 3.555 7.384 3.704 1.00 0.00 C ATOM 1160 O VAL A 71 4.700 7.758 3.884 1.00 0.00 O ATOM 1161 CB VAL A 71 3.333 5.633 1.981 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.859 4.243 1.636 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.565 6.659 1.194 1.00 0.00 C ATOM 0 H VAL A 71 1.267 5.251 3.422 1.00 0.00 H new ATOM 0 HA VAL A 71 3.978 5.271 3.990 1.00 0.00 H new ATOM 0 HB VAL A 71 4.385 5.700 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.934 4.090 0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.479 3.509 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.821 4.124 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.640 6.433 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.518 6.640 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.979 7.649 1.385 1.00 0.00 H new ATOM 1173 N THR A 72 2.514 8.217 3.710 1.00 0.00 N ATOM 1174 CA THR A 72 2.716 9.649 3.818 1.00 0.00 C ATOM 1175 C THR A 72 3.312 10.011 5.171 1.00 0.00 C ATOM 1176 O THR A 72 4.035 10.995 5.297 1.00 0.00 O ATOM 1177 CB THR A 72 1.429 10.453 3.557 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.400 10.116 4.494 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.951 10.180 2.151 1.00 0.00 C ATOM 0 H THR A 72 1.539 7.924 3.642 1.00 0.00 H new ATOM 0 HA THR A 72 3.424 9.925 3.036 1.00 0.00 H new ATOM 0 HB THR A 72 1.654 11.513 3.678 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.670 9.326 5.007 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.040 10.747 1.960 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.721 10.481 1.440 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.747 9.115 2.036 1.00 0.00 H new ATOM 1187 N SER A 73 3.047 9.178 6.169 1.00 0.00 N ATOM 1188 CA SER A 73 3.624 9.369 7.489 1.00 0.00 C ATOM 1189 C SER A 73 5.121 9.045 7.451 1.00 0.00 C ATOM 1190 O SER A 73 5.890 9.470 8.312 1.00 0.00 O ATOM 1191 CB SER A 73 2.899 8.485 8.506 1.00 0.00 C ATOM 1192 OG SER A 73 3.310 7.134 8.405 1.00 0.00 O ATOM 0 H SER A 73 2.437 8.365 6.088 1.00 0.00 H new ATOM 0 HA SER A 73 3.504 10.409 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.095 8.852 9.514 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.823 8.552 8.346 1.00 0.00 H new ATOM 0 HG SER A 73 3.300 6.858 7.465 1.00 0.00 H new ATOM 1198 N CYS A 74 5.516 8.279 6.438 1.00 0.00 N ATOM 1199 CA CYS A 74 6.914 7.907 6.237 1.00 0.00 C ATOM 1200 C CYS A 74 7.573 8.805 5.184 1.00 0.00 C ATOM 1201 O CYS A 74 8.775 9.079 5.242 1.00 0.00 O ATOM 1202 CB CYS A 74 7.019 6.431 5.825 1.00 0.00 C ATOM 1203 SG CYS A 74 8.691 5.895 5.399 1.00 0.00 S ATOM 0 H CYS A 74 4.880 7.900 5.736 1.00 0.00 H new ATOM 0 HA CYS A 74 7.443 8.046 7.180 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.648 5.811 6.641 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.365 6.257 4.970 1.00 0.00 H new ATOM 0 HG CYS A 74 9.442 6.936 5.196 1.00 0.00 H new ATOM 1209 N LEU A 75 6.772 9.273 4.232 1.00 0.00 N ATOM 1210 CA LEU A 75 7.275 9.979 3.060 1.00 0.00 C ATOM 1211 C LEU A 75 7.117 11.495 3.177 1.00 0.00 C ATOM 1212 O LEU A 75 8.033 12.248 2.845 1.00 0.00 O ATOM 1213 CB LEU A 75 6.534 9.471 1.814 1.00 0.00 C ATOM 1214 CG LEU A 75 6.594 7.960 1.589 1.00 0.00 C ATOM 1215 CD1 LEU A 75 6.076 7.612 0.204 1.00 0.00 C ATOM 1216 CD2 LEU A 75 8.014 7.440 1.777 1.00 0.00 C ATOM 0 H LEU A 75 5.757 9.173 4.252 1.00 0.00 H new ATOM 0 HA LEU A 75 8.343 9.776 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.488 9.770 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.948 9.969 0.937 1.00 0.00 H new ATOM 0 HG LEU A 75 5.957 7.477 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.125 6.533 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.043 7.945 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.689 8.108 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.032 6.363 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.678 7.928 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.350 7.657 2.791 1.00 0.00 H new