USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 813 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 TYR OH : rot -17:sc= 0.695 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 THR OG1 : rot 124:sc= 1.74 USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0.903 USER MOD Set 2.3: A 16 THR OG1 : rot 58:sc= 0.901 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 22 ASN : amide:sc= -0.568 K(o=-0.57,f=-0.06) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 21:sc= 0.121 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0.826 (180deg=0.787) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.11) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0207 USER MOD Single : A 56 ASN : amide:sc= 0.629 K(o=0.63,f=-5.4!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc=-0.00569 K(o=-0.0057,f=-0.67) USER MOD Single : A 69 THR OG1 : rot -30:sc= 0.0534 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 66:sc= 1.13 USER MOD Single : A 74 THR OG1 : rot 150:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.273 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.621 K(o=0.62,f=-1.4!) USER MOD Single : A 86 CYS SG : rot -95:sc= -0.0419 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.74) USER MOD Single : A 105 THR OG1 : rot 86:sc= 0.727 USER MOD ----------------------------------------------------------------- ATOM 152 N THR A 13 12.915 4.315 4.751 1.00 0.00 N ATOM 153 CA THR A 13 13.361 2.937 4.719 1.00 0.00 C ATOM 154 C THR A 13 12.174 2.030 4.385 1.00 0.00 C ATOM 155 O THR A 13 11.048 2.319 4.795 1.00 0.00 O ATOM 156 CB THR A 13 14.015 2.500 6.041 1.00 0.00 C ATOM 157 OG1 THR A 13 13.144 2.543 7.164 1.00 0.00 O ATOM 158 CG2 THR A 13 15.298 3.274 6.320 1.00 0.00 C ATOM 0 HA THR A 13 14.126 2.850 3.948 1.00 0.00 H new ATOM 0 HB THR A 13 14.265 1.449 5.896 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.121 1.663 7.594 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.729 2.936 7.262 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.010 3.102 5.513 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.074 4.339 6.385 1.00 0.00 H new ATOM 166 N PRO A 14 12.425 0.869 3.770 1.00 0.00 N ATOM 167 CA PRO A 14 11.426 -0.170 3.584 1.00 0.00 C ATOM 168 C PRO A 14 10.910 -0.711 4.922 1.00 0.00 C ATOM 169 O PRO A 14 9.851 -1.334 4.966 1.00 0.00 O ATOM 170 CB PRO A 14 12.092 -1.263 2.740 1.00 0.00 C ATOM 171 CG PRO A 14 13.583 -0.915 2.695 1.00 0.00 C ATOM 172 CD PRO A 14 13.715 0.501 3.240 1.00 0.00 C ATOM 0 HA PRO A 14 10.544 0.224 3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.935 -2.247 3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.668 -1.293 1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.163 -1.617 3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.965 -0.975 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.478 0.546 4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.020 1.191 2.453 1.00 0.00 H new ATOM 180 N SER A 15 11.628 -0.485 6.022 1.00 0.00 N ATOM 181 CA SER A 15 11.213 -0.858 7.361 1.00 0.00 C ATOM 182 C SER A 15 10.259 0.150 8.014 1.00 0.00 C ATOM 183 O SER A 15 9.649 -0.183 9.034 1.00 0.00 O ATOM 184 CB SER A 15 12.483 -1.056 8.207 1.00 0.00 C ATOM 185 OG SER A 15 13.529 -0.139 7.882 1.00 0.00 O ATOM 0 H SER A 15 12.538 -0.025 5.998 1.00 0.00 H new ATOM 0 HA SER A 15 10.638 -1.782 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.229 -0.947 9.261 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.847 -2.074 8.070 1.00 0.00 H new ATOM 0 HG SER A 15 14.306 -0.314 8.453 1.00 0.00 H new ATOM 191 N THR A 16 10.135 1.375 7.495 1.00 0.00 N ATOM 192 CA THR A 16 9.285 2.401 8.088 1.00 0.00 C ATOM 193 C THR A 16 7.821 1.946 8.008 1.00 0.00 C ATOM 194 O THR A 16 7.397 1.443 6.973 1.00 0.00 O ATOM 195 CB THR A 16 9.564 3.739 7.379 1.00 0.00 C ATOM 196 OG1 THR A 16 10.899 4.135 7.656 1.00 0.00 O ATOM 197 CG2 THR A 16 8.636 4.866 7.829 1.00 0.00 C ATOM 0 H THR A 16 10.622 1.679 6.652 1.00 0.00 H new ATOM 0 HA THR A 16 9.503 2.552 9.145 1.00 0.00 H new ATOM 0 HB THR A 16 9.394 3.574 6.315 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.516 3.435 7.358 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.886 5.780 7.291 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.602 4.592 7.618 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.756 5.031 8.900 1.00 0.00 H new ATOM 205 N TYR A 17 7.045 2.075 9.089 1.00 0.00 N ATOM 206 CA TYR A 17 5.628 1.703 9.089 1.00 0.00 C ATOM 207 C TYR A 17 4.817 2.678 8.234 1.00 0.00 C ATOM 208 O TYR A 17 5.127 3.868 8.201 1.00 0.00 O ATOM 209 CB TYR A 17 5.061 1.723 10.512 1.00 0.00 C ATOM 210 CG TYR A 17 5.221 0.451 11.318 1.00 0.00 C ATOM 211 CD1 TYR A 17 6.470 -0.193 11.426 1.00 0.00 C ATOM 212 CD2 TYR A 17 4.098 -0.081 11.982 1.00 0.00 C ATOM 213 CE1 TYR A 17 6.597 -1.355 12.205 1.00 0.00 C ATOM 214 CE2 TYR A 17 4.220 -1.242 12.756 1.00 0.00 C ATOM 215 CZ TYR A 17 5.469 -1.883 12.870 1.00 0.00 C ATOM 216 OH TYR A 17 5.560 -3.033 13.587 1.00 0.00 O ATOM 0 H TYR A 17 7.379 2.438 9.982 1.00 0.00 H new ATOM 0 HA TYR A 17 5.554 0.696 8.677 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.538 2.536 11.059 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.998 1.959 10.453 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.330 0.207 10.910 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.139 0.408 11.894 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.556 -1.844 12.295 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.357 -1.645 13.265 1.00 0.00 H new ATOM 0 HH TYR A 17 4.686 -3.246 13.976 1.00 0.00 H new ATOM 226 N ILE A 18 3.694 2.228 7.661 1.00 0.00 N ATOM 227 CA ILE A 18 2.813 3.115 6.887 1.00 0.00 C ATOM 228 C ILE A 18 2.309 4.261 7.763 1.00 0.00 C ATOM 229 O ILE A 18 2.356 5.418 7.356 1.00 0.00 O ATOM 230 CB ILE A 18 1.595 2.407 6.244 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.751 0.902 5.999 1.00 0.00 C ATOM 232 CG2 ILE A 18 1.266 3.110 4.918 1.00 0.00 C ATOM 233 CD1 ILE A 18 2.727 0.616 4.875 1.00 0.00 C ATOM 0 H ILE A 18 3.374 1.261 7.717 1.00 0.00 H new ATOM 0 HA ILE A 18 3.431 3.486 6.069 1.00 0.00 H new ATOM 0 HB ILE A 18 0.788 2.487 6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.096 0.418 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.780 0.470 5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.410 2.624 4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.029 4.156 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.126 3.049 4.251 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.811 -0.461 4.731 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.368 1.078 3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.705 1.025 5.129 1.00 0.00 H new ATOM 245 N ARG A 19 1.864 3.952 8.987 1.00 0.00 N ATOM 246 CA ARG A 19 1.321 4.941 9.919 1.00 0.00 C ATOM 247 C ARG A 19 2.324 6.045 10.244 1.00 0.00 C ATOM 248 O ARG A 19 1.922 7.152 10.600 1.00 0.00 O ATOM 249 CB ARG A 19 0.843 4.244 11.207 1.00 0.00 C ATOM 250 CG ARG A 19 1.959 3.522 11.996 1.00 0.00 C ATOM 251 CD ARG A 19 2.327 4.203 13.317 1.00 0.00 C ATOM 252 NE ARG A 19 1.344 3.884 14.359 1.00 0.00 N ATOM 253 CZ ARG A 19 1.321 4.343 15.611 1.00 0.00 C ATOM 254 NH1 ARG A 19 2.231 5.217 16.035 1.00 0.00 N ATOM 255 NH2 ARG A 19 0.391 3.894 16.444 1.00 0.00 N ATOM 0 H ARG A 19 1.872 3.002 9.359 1.00 0.00 H new ATOM 0 HA ARG A 19 0.472 5.420 9.432 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.378 4.986 11.856 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.071 3.519 10.948 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.641 2.500 12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.850 3.459 11.371 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.318 3.879 13.634 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.375 5.283 13.174 1.00 0.00 H new ATOM 0 HE ARG A 19 0.597 3.241 14.097 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.959 5.545 15.400 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.201 5.559 16.995 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.292 3.208 16.124 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.360 4.235 17.405 1.00 0.00 H new ATOM 269 N ASN A 20 3.623 5.739 10.157 1.00 0.00 N ATOM 270 CA ASN A 20 4.700 6.670 10.467 1.00 0.00 C ATOM 271 C ASN A 20 4.738 7.800 9.440 1.00 0.00 C ATOM 272 O ASN A 20 5.121 8.918 9.780 1.00 0.00 O ATOM 273 CB ASN A 20 6.033 5.909 10.454 1.00 0.00 C ATOM 274 CG ASN A 20 7.183 6.705 11.042 1.00 0.00 C ATOM 275 OD1 ASN A 20 7.744 7.590 10.420 1.00 0.00 O ATOM 276 ND2 ASN A 20 7.616 6.379 12.242 1.00 0.00 N ATOM 0 H ASN A 20 3.955 4.820 9.864 1.00 0.00 H new ATOM 0 HA ASN A 20 4.530 7.105 11.452 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.919 4.981 11.014 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.277 5.635 9.428 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.416 6.866 12.645 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.151 5.639 12.768 1.00 0.00 H new ATOM 283 N LEU A 21 4.323 7.519 8.196 1.00 0.00 N ATOM 284 CA LEU A 21 4.541 8.415 7.075 1.00 0.00 C ATOM 285 C LEU A 21 3.831 9.745 7.307 1.00 0.00 C ATOM 286 O LEU A 21 2.771 9.820 7.948 1.00 0.00 O ATOM 287 CB LEU A 21 4.110 7.788 5.733 1.00 0.00 C ATOM 288 CG LEU A 21 4.785 6.463 5.295 1.00 0.00 C ATOM 289 CD1 LEU A 21 4.646 6.319 3.776 1.00 0.00 C ATOM 290 CD2 LEU A 21 6.270 6.474 5.666 1.00 0.00 C ATOM 0 H LEU A 21 3.828 6.662 7.950 1.00 0.00 H new ATOM 0 HA LEU A 21 5.614 8.597 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.035 7.616 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.284 8.526 4.949 1.00 0.00 H new ATOM 0 HG LEU A 21 4.302 5.628 5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.117 5.390 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.590 6.302 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.132 7.162 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.730 5.537 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.764 7.307 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.375 6.586 6.745 1.00 0.00 H new ATOM 302 N ASN A 22 4.423 10.824 6.794 1.00 0.00 N ATOM 303 CA ASN A 22 3.890 12.154 7.042 1.00 0.00 C ATOM 304 C ASN A 22 2.619 12.360 6.223 1.00 0.00 C ATOM 305 O ASN A 22 2.505 11.868 5.103 1.00 0.00 O ATOM 306 CB ASN A 22 4.914 13.249 6.691 1.00 0.00 C ATOM 307 CG ASN A 22 5.389 14.101 7.865 1.00 0.00 C ATOM 308 OD1 ASN A 22 6.506 14.606 7.815 1.00 0.00 O ATOM 309 ND2 ASN A 22 4.603 14.350 8.900 1.00 0.00 N ATOM 0 H ASN A 22 5.261 10.800 6.212 1.00 0.00 H new ATOM 0 HA ASN A 22 3.664 12.232 8.105 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.782 12.777 6.232 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.475 13.907 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.927 14.959 9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.673 13.933 8.946 1.00 0.00 H new ATOM 316 N VAL A 23 1.727 13.208 6.725 1.00 0.00 N ATOM 317 CA VAL A 23 0.531 13.706 6.058 1.00 0.00 C ATOM 318 C VAL A 23 0.820 14.239 4.642 1.00 0.00 C ATOM 319 O VAL A 23 -0.003 14.048 3.745 1.00 0.00 O ATOM 320 CB VAL A 23 -0.088 14.749 7.009 1.00 0.00 C ATOM 321 CG1 VAL A 23 0.862 15.909 7.335 1.00 0.00 C ATOM 322 CG2 VAL A 23 -1.433 15.285 6.526 1.00 0.00 C ATOM 0 H VAL A 23 1.827 13.589 7.666 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.184 12.904 5.875 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.267 14.198 7.932 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.366 16.608 8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.761 15.520 7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.136 16.425 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.812 16.014 7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.307 15.762 5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.142 14.462 6.437 1.00 0.00 H new ATOM 332 N GLY A 24 1.989 14.851 4.416 1.00 0.00 N ATOM 333 CA GLY A 24 2.408 15.293 3.094 1.00 0.00 C ATOM 334 C GLY A 24 2.586 14.100 2.164 1.00 0.00 C ATOM 335 O GLY A 24 1.990 14.068 1.092 1.00 0.00 O ATOM 0 H GLY A 24 2.667 15.051 5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.666 15.976 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.344 15.846 3.169 1.00 0.00 H new ATOM 339 N ILE A 25 3.362 13.097 2.586 1.00 0.00 N ATOM 340 CA ILE A 25 3.595 11.865 1.836 1.00 0.00 C ATOM 341 C ILE A 25 2.262 11.164 1.571 1.00 0.00 C ATOM 342 O ILE A 25 2.067 10.646 0.479 1.00 0.00 O ATOM 343 CB ILE A 25 4.596 10.959 2.568 1.00 0.00 C ATOM 344 CG1 ILE A 25 5.874 11.724 2.959 1.00 0.00 C ATOM 345 CG2 ILE A 25 4.973 9.739 1.708 1.00 0.00 C ATOM 346 CD1 ILE A 25 6.550 12.576 1.882 1.00 0.00 C ATOM 0 H ILE A 25 3.855 13.122 3.478 1.00 0.00 H new ATOM 0 HA ILE A 25 4.043 12.107 0.872 1.00 0.00 H new ATOM 0 HB ILE A 25 4.103 10.616 3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.632 12.375 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.603 10.998 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.683 9.116 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.077 9.159 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.427 10.077 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.436 13.055 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.841 11.941 1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.855 13.340 1.533 1.00 0.00 H new ATOM 358 N LEU A 26 1.330 11.185 2.528 1.00 0.00 N ATOM 359 CA LEU A 26 -0.015 10.656 2.350 1.00 0.00 C ATOM 360 C LEU A 26 -0.716 11.330 1.164 1.00 0.00 C ATOM 361 O LEU A 26 -1.227 10.631 0.292 1.00 0.00 O ATOM 362 CB LEU A 26 -0.803 10.795 3.666 1.00 0.00 C ATOM 363 CG LEU A 26 -0.750 9.546 4.562 1.00 0.00 C ATOM 364 CD1 LEU A 26 -1.374 9.860 5.925 1.00 0.00 C ATOM 365 CD2 LEU A 26 -1.508 8.384 3.919 1.00 0.00 C ATOM 0 H LEU A 26 1.495 11.575 3.456 1.00 0.00 H new ATOM 0 HA LEU A 26 0.039 9.595 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.412 11.646 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.844 11.018 3.432 1.00 0.00 H new ATOM 0 HG LEU A 26 0.294 9.260 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.334 8.972 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.820 10.669 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.412 10.162 5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.457 7.512 4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.550 8.667 3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.058 8.144 2.956 1.00 0.00 H new ATOM 377 N ARG A 27 -0.681 12.668 1.070 1.00 0.00 N ATOM 378 CA ARG A 27 -1.238 13.386 -0.086 1.00 0.00 C ATOM 379 C ARG A 27 -0.516 13.023 -1.383 1.00 0.00 C ATOM 380 O ARG A 27 -1.169 12.926 -2.424 1.00 0.00 O ATOM 381 CB ARG A 27 -1.206 14.913 0.107 1.00 0.00 C ATOM 382 CG ARG A 27 -2.164 15.434 1.186 1.00 0.00 C ATOM 383 CD ARG A 27 -3.636 15.433 0.748 1.00 0.00 C ATOM 384 NE ARG A 27 -3.984 16.609 -0.073 1.00 0.00 N ATOM 385 CZ ARG A 27 -5.218 16.909 -0.504 1.00 0.00 C ATOM 386 NH1 ARG A 27 -6.214 16.048 -0.354 1.00 0.00 N ATOM 387 NH2 ARG A 27 -5.468 18.103 -1.034 1.00 0.00 N ATOM 0 H ARG A 27 -0.273 13.275 1.781 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.278 13.069 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.190 15.214 0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.450 15.392 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.059 14.821 2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.875 16.449 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.842 14.525 0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.274 15.409 1.631 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.228 17.242 -0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.046 15.147 0.093 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.149 16.287 -0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.720 18.792 -1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.407 18.329 -1.361 1.00 0.00 H new ATOM 401 N LYS A 28 0.810 12.843 -1.345 1.00 0.00 N ATOM 402 CA LYS A 28 1.575 12.420 -2.520 1.00 0.00 C ATOM 403 C LYS A 28 1.093 11.057 -2.994 1.00 0.00 C ATOM 404 O LYS A 28 0.891 10.859 -4.186 1.00 0.00 O ATOM 405 CB LYS A 28 3.081 12.345 -2.231 1.00 0.00 C ATOM 406 CG LYS A 28 3.712 13.659 -1.767 1.00 0.00 C ATOM 407 CD LYS A 28 5.211 13.715 -2.098 1.00 0.00 C ATOM 408 CE LYS A 28 5.445 14.094 -3.561 1.00 0.00 C ATOM 409 NZ LYS A 28 5.355 15.550 -3.785 1.00 0.00 N ATOM 0 H LYS A 28 1.376 12.985 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 28 1.413 13.169 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.253 11.586 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.593 12.011 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.202 14.496 -2.244 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.572 13.771 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.702 14.441 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.667 12.746 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.428 13.741 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.711 13.587 -4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.521 15.757 -4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.409 15.885 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.072 16.035 -3.209 1.00 0.00 H new ATOM 423 N LEU A 29 0.931 10.112 -2.069 1.00 0.00 N ATOM 424 CA LEU A 29 0.410 8.789 -2.361 1.00 0.00 C ATOM 425 C LEU A 29 -0.957 8.915 -3.018 1.00 0.00 C ATOM 426 O LEU A 29 -1.110 8.426 -4.130 1.00 0.00 O ATOM 427 CB LEU A 29 0.393 7.919 -1.093 1.00 0.00 C ATOM 428 CG LEU A 29 1.636 7.023 -0.926 1.00 0.00 C ATOM 429 CD1 LEU A 29 1.549 5.787 -1.829 1.00 0.00 C ATOM 430 CD2 LEU A 29 2.982 7.712 -1.190 1.00 0.00 C ATOM 0 H LEU A 29 1.162 10.251 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 29 1.065 8.279 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.307 8.568 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.496 7.289 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 29 1.619 6.751 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.439 5.172 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.664 5.207 -1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.483 6.101 -2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.791 6.996 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.005 8.085 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.106 8.545 -0.498 1.00 0.00 H new ATOM 442 N SER A 30 -1.935 9.586 -2.404 1.00 0.00 N ATOM 443 CA SER A 30 -3.263 9.684 -3.005 1.00 0.00 C ATOM 444 C SER A 30 -3.248 10.373 -4.369 1.00 0.00 C ATOM 445 O SER A 30 -4.097 10.062 -5.198 1.00 0.00 O ATOM 446 CB SER A 30 -4.248 10.343 -2.039 1.00 0.00 C ATOM 447 OG SER A 30 -3.715 11.499 -1.434 1.00 0.00 O ATOM 0 H SER A 30 -1.834 10.061 -1.507 1.00 0.00 H new ATOM 0 HA SER A 30 -3.606 8.667 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.160 10.605 -2.576 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.528 9.628 -1.266 1.00 0.00 H new ATOM 0 HG SER A 30 -2.974 11.840 -1.977 1.00 0.00 H new ATOM 453 N ASP A 31 -2.283 11.247 -4.663 1.00 0.00 N ATOM 454 CA ASP A 31 -2.203 11.828 -6.000 1.00 0.00 C ATOM 455 C ASP A 31 -2.020 10.747 -7.063 1.00 0.00 C ATOM 456 O ASP A 31 -2.519 10.914 -8.178 1.00 0.00 O ATOM 457 CB ASP A 31 -1.099 12.890 -6.100 1.00 0.00 C ATOM 458 CG ASP A 31 -1.661 14.294 -5.927 1.00 0.00 C ATOM 459 OD1 ASP A 31 -2.685 14.636 -6.563 1.00 0.00 O ATOM 460 OD2 ASP A 31 -1.089 15.083 -5.132 1.00 0.00 O ATOM 0 H ASP A 31 -1.564 11.560 -4.011 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.153 12.329 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.342 12.703 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.603 12.812 -7.068 1.00 0.00 H new ATOM 465 N PHE A 32 -1.356 9.636 -6.722 1.00 0.00 N ATOM 466 CA PHE A 32 -1.024 8.554 -7.640 1.00 0.00 C ATOM 467 C PHE A 32 -1.902 7.313 -7.427 1.00 0.00 C ATOM 468 O PHE A 32 -2.049 6.539 -8.364 1.00 0.00 O ATOM 469 CB PHE A 32 0.459 8.162 -7.493 1.00 0.00 C ATOM 470 CG PHE A 32 1.492 9.275 -7.343 1.00 0.00 C ATOM 471 CD1 PHE A 32 1.309 10.551 -7.915 1.00 0.00 C ATOM 472 CD2 PHE A 32 2.651 9.028 -6.585 1.00 0.00 C ATOM 473 CE1 PHE A 32 2.235 11.580 -7.670 1.00 0.00 C ATOM 474 CE2 PHE A 32 3.612 10.034 -6.396 1.00 0.00 C ATOM 475 CZ PHE A 32 3.394 11.320 -6.919 1.00 0.00 C ATOM 0 H PHE A 32 -1.028 9.466 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.213 8.927 -8.646 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.545 7.509 -6.624 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.734 7.569 -8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.452 10.739 -8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.803 8.054 -6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.056 12.571 -8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.518 9.820 -5.849 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.114 12.105 -6.744 1.00 0.00 H new ATOM 485 N ILE A 33 -2.484 7.106 -6.242 1.00 0.00 N ATOM 486 CA ILE A 33 -3.179 5.872 -5.842 1.00 0.00 C ATOM 487 C ILE A 33 -4.708 6.008 -5.976 1.00 0.00 C ATOM 488 O ILE A 33 -5.426 5.019 -6.152 1.00 0.00 O ATOM 489 CB ILE A 33 -2.791 5.566 -4.375 1.00 0.00 C ATOM 490 CG1 ILE A 33 -1.273 5.367 -4.153 1.00 0.00 C ATOM 491 CG2 ILE A 33 -3.552 4.361 -3.805 1.00 0.00 C ATOM 492 CD1 ILE A 33 -0.760 3.983 -4.520 1.00 0.00 C ATOM 0 H ILE A 33 -2.486 7.814 -5.508 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.878 5.057 -6.500 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.086 6.464 -3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.732 6.109 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.043 5.560 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.242 4.190 -2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.623 4.560 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.331 3.476 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.313 3.931 -4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.270 3.234 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.954 3.791 -5.575 1.00 0.00 H new ATOM 504 N ASP A 34 -5.214 7.234 -5.845 1.00 0.00 N ATOM 505 CA ASP A 34 -6.626 7.587 -5.983 1.00 0.00 C ATOM 506 C ASP A 34 -7.080 7.582 -7.466 1.00 0.00 C ATOM 507 O ASP A 34 -8.198 7.137 -7.746 1.00 0.00 O ATOM 508 CB ASP A 34 -6.827 8.941 -5.281 1.00 0.00 C ATOM 509 CG ASP A 34 -8.149 9.182 -4.570 1.00 0.00 C ATOM 510 OD1 ASP A 34 -9.084 8.362 -4.681 1.00 0.00 O ATOM 511 OD2 ASP A 34 -8.189 10.187 -3.821 1.00 0.00 O ATOM 0 H ASP A 34 -4.627 8.041 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.263 6.841 -5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.027 9.061 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.699 9.727 -6.026 1.00 0.00 H new ATOM 516 N PRO A 35 -6.248 7.967 -8.467 1.00 0.00 N ATOM 517 CA PRO A 35 -6.450 7.527 -9.847 1.00 0.00 C ATOM 518 C PRO A 35 -6.435 6.001 -9.935 1.00 0.00 C ATOM 519 O PRO A 35 -5.791 5.334 -9.124 1.00 0.00 O ATOM 520 CB PRO A 35 -5.264 8.063 -10.667 1.00 0.00 C ATOM 521 CG PRO A 35 -4.577 9.090 -9.780 1.00 0.00 C ATOM 522 CD PRO A 35 -4.977 8.667 -8.370 1.00 0.00 C ATOM 0 HA PRO A 35 -7.409 7.891 -10.215 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.579 7.259 -10.936 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.605 8.516 -11.598 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.495 9.075 -9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.911 10.103 -10.005 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.216 8.021 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.067 9.537 -7.720 1.00 0.00 H new ATOM 530 N GLN A 36 -7.015 5.455 -11.005 1.00 0.00 N ATOM 531 CA GLN A 36 -6.703 4.130 -11.535 1.00 0.00 C ATOM 532 C GLN A 36 -6.900 2.998 -10.504 1.00 0.00 C ATOM 533 O GLN A 36 -6.329 1.917 -10.664 1.00 0.00 O ATOM 534 CB GLN A 36 -5.313 4.186 -12.215 1.00 0.00 C ATOM 535 CG GLN A 36 -5.234 5.160 -13.402 1.00 0.00 C ATOM 536 CD GLN A 36 -3.850 5.146 -14.060 1.00 0.00 C ATOM 537 OE1 GLN A 36 -3.418 4.141 -14.613 1.00 0.00 O ATOM 538 NE2 GLN A 36 -3.137 6.265 -14.086 1.00 0.00 N ATOM 0 H GLN A 36 -7.736 5.938 -11.541 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.426 3.857 -12.304 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.569 4.474 -11.473 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.049 3.187 -12.561 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.990 4.894 -14.141 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.463 6.169 -13.060 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.490 7.105 -13.628 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -2.236 6.285 -14.564 1.00 0.00 H new ATOM 547 N GLU A 37 -7.728 3.236 -9.474 1.00 0.00 N ATOM 548 CA GLU A 37 -8.125 2.315 -8.402 1.00 0.00 C ATOM 549 C GLU A 37 -6.949 1.659 -7.680 1.00 0.00 C ATOM 550 O GLU A 37 -7.067 0.536 -7.182 1.00 0.00 O ATOM 551 CB GLU A 37 -9.163 1.308 -8.931 1.00 0.00 C ATOM 552 CG GLU A 37 -10.527 1.990 -8.932 1.00 0.00 C ATOM 553 CD GLU A 37 -11.590 1.160 -9.647 1.00 0.00 C ATOM 554 OE1 GLU A 37 -11.732 -0.061 -9.394 1.00 0.00 O ATOM 555 OE2 GLU A 37 -12.383 1.749 -10.406 1.00 0.00 O ATOM 0 H GLU A 37 -8.170 4.148 -9.363 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.601 2.908 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.899 0.983 -9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.183 0.417 -8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.841 2.170 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.444 2.963 -9.415 1.00 0.00 H new ATOM 562 N GLY A 38 -5.821 2.363 -7.569 1.00 0.00 N ATOM 563 CA GLY A 38 -4.643 1.833 -6.906 1.00 0.00 C ATOM 564 C GLY A 38 -4.986 1.425 -5.478 1.00 0.00 C ATOM 565 O GLY A 38 -4.563 0.357 -5.041 1.00 0.00 O ATOM 0 H GLY A 38 -5.705 3.308 -7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.262 0.973 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.852 2.583 -6.898 1.00 0.00 H new ATOM 569 N TRP A 39 -5.793 2.215 -4.764 1.00 0.00 N ATOM 570 CA TRP A 39 -6.210 1.899 -3.409 1.00 0.00 C ATOM 571 C TRP A 39 -6.880 0.526 -3.329 1.00 0.00 C ATOM 572 O TRP A 39 -6.473 -0.304 -2.521 1.00 0.00 O ATOM 573 CB TRP A 39 -7.134 2.985 -2.867 1.00 0.00 C ATOM 574 CG TRP A 39 -8.466 3.155 -3.536 1.00 0.00 C ATOM 575 CD1 TRP A 39 -8.745 3.910 -4.623 1.00 0.00 C ATOM 576 CD2 TRP A 39 -9.725 2.538 -3.138 1.00 0.00 C ATOM 577 NE1 TRP A 39 -10.090 3.787 -4.927 1.00 0.00 N ATOM 578 CE2 TRP A 39 -10.746 2.975 -4.023 1.00 0.00 C ATOM 579 CE3 TRP A 39 -10.090 1.616 -2.136 1.00 0.00 C ATOM 580 CZ2 TRP A 39 -12.077 2.558 -3.873 1.00 0.00 C ATOM 581 CZ3 TRP A 39 -11.418 1.177 -1.988 1.00 0.00 C ATOM 582 CH2 TRP A 39 -12.421 1.690 -2.824 1.00 0.00 C ATOM 0 H TRP A 39 -6.173 3.093 -5.117 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.315 1.861 -2.788 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -7.311 2.781 -1.811 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.605 3.936 -2.923 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.032 4.512 -5.167 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -10.541 4.241 -5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -9.332 1.238 -1.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.834 2.903 -4.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.665 0.446 -1.232 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -13.454 1.418 -2.662 1.00 0.00 H new ATOM 593 N LYS A 40 -7.871 0.260 -4.188 1.00 0.00 N ATOM 594 CA LYS A 40 -8.558 -1.027 -4.250 1.00 0.00 C ATOM 595 C LYS A 40 -7.550 -2.123 -4.524 1.00 0.00 C ATOM 596 O LYS A 40 -7.564 -3.160 -3.871 1.00 0.00 O ATOM 597 CB LYS A 40 -9.653 -1.029 -5.340 1.00 0.00 C ATOM 598 CG LYS A 40 -11.033 -0.940 -4.694 1.00 0.00 C ATOM 599 CD LYS A 40 -12.216 -1.007 -5.660 1.00 0.00 C ATOM 600 CE LYS A 40 -12.640 0.389 -6.120 1.00 0.00 C ATOM 601 NZ LYS A 40 -13.529 0.372 -7.298 1.00 0.00 N ATOM 0 H LYS A 40 -8.219 0.941 -4.864 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.044 -1.205 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.505 -0.188 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.580 -1.937 -5.938 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.130 -1.750 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.094 -0.006 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.947 -1.611 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.057 -1.503 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.147 0.896 -5.299 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.750 0.973 -6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.833 1.342 -7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.018 -0.023 -8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.363 -0.215 -7.095 1.00 0.00 H new ATOM 615 N LYS A 41 -6.657 -1.883 -5.477 1.00 0.00 N ATOM 616 CA LYS A 41 -5.708 -2.873 -5.952 1.00 0.00 C ATOM 617 C LYS A 41 -4.735 -3.230 -4.828 1.00 0.00 C ATOM 618 O LYS A 41 -4.396 -4.395 -4.660 1.00 0.00 O ATOM 619 CB LYS A 41 -5.035 -2.326 -7.209 1.00 0.00 C ATOM 620 CG LYS A 41 -5.963 -2.419 -8.425 1.00 0.00 C ATOM 621 CD LYS A 41 -5.507 -1.423 -9.489 1.00 0.00 C ATOM 622 CE LYS A 41 -6.287 -1.606 -10.794 1.00 0.00 C ATOM 623 NZ LYS A 41 -5.805 -2.746 -11.602 1.00 0.00 N ATOM 0 H LYS A 41 -6.574 -0.981 -5.946 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.198 -3.807 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.748 -1.287 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.119 -2.883 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.950 -3.431 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.990 -2.207 -8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.644 -0.406 -9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.441 -1.553 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.342 -1.753 -10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.214 -0.693 -11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.371 -2.819 -12.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.806 -2.598 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.899 -3.625 -11.053 1.00 0.00 H new ATOM 637 N LEU A 42 -4.327 -2.254 -4.022 1.00 0.00 N ATOM 638 CA LEU A 42 -3.497 -2.424 -2.850 1.00 0.00 C ATOM 639 C LEU A 42 -4.263 -3.191 -1.780 1.00 0.00 C ATOM 640 O LEU A 42 -3.811 -4.242 -1.338 1.00 0.00 O ATOM 641 CB LEU A 42 -3.033 -1.016 -2.459 1.00 0.00 C ATOM 642 CG LEU A 42 -1.885 -0.849 -1.456 1.00 0.00 C ATOM 643 CD1 LEU A 42 -2.399 -0.444 -0.075 1.00 0.00 C ATOM 644 CD2 LEU A 42 -0.919 -2.030 -1.370 1.00 0.00 C ATOM 0 H LEU A 42 -4.582 -1.280 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.610 -3.034 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.743 -0.502 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.897 -0.488 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.286 -0.033 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.557 -0.335 0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.932 0.504 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.075 -1.212 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.145 -1.814 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.464 -2.925 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.458 -2.195 -2.344 1.00 0.00 H new ATOM 656 N ALA A 43 -5.454 -2.723 -1.409 1.00 0.00 N ATOM 657 CA ALA A 43 -6.313 -3.347 -0.414 1.00 0.00 C ATOM 658 C ALA A 43 -6.548 -4.832 -0.702 1.00 0.00 C ATOM 659 O ALA A 43 -6.357 -5.669 0.179 1.00 0.00 O ATOM 660 CB ALA A 43 -7.630 -2.577 -0.365 1.00 0.00 C ATOM 0 H ALA A 43 -5.856 -1.874 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.820 -3.304 0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.289 -3.030 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.435 -1.540 -0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.108 -2.611 -1.344 1.00 0.00 H new ATOM 666 N VAL A 44 -6.959 -5.169 -1.924 1.00 0.00 N ATOM 667 CA VAL A 44 -7.277 -6.512 -2.349 1.00 0.00 C ATOM 668 C VAL A 44 -6.010 -7.366 -2.534 1.00 0.00 C ATOM 669 O VAL A 44 -6.091 -8.596 -2.480 1.00 0.00 O ATOM 670 CB VAL A 44 -8.143 -6.336 -3.618 1.00 0.00 C ATOM 671 CG1 VAL A 44 -7.347 -6.198 -4.917 1.00 0.00 C ATOM 672 CG2 VAL A 44 -9.176 -7.432 -3.760 1.00 0.00 C ATOM 0 H VAL A 44 -7.081 -4.480 -2.666 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.835 -7.077 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.649 -5.383 -3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.035 -6.079 -5.754 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.697 -5.325 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.741 -7.091 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.760 -7.266 -4.665 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.675 -8.398 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.838 -7.422 -2.894 1.00 0.00 H new ATOM 682 N ALA A 45 -4.840 -6.743 -2.742 1.00 0.00 N ATOM 683 CA ALA A 45 -3.567 -7.444 -2.798 1.00 0.00 C ATOM 684 C ALA A 45 -3.116 -7.821 -1.389 1.00 0.00 C ATOM 685 O ALA A 45 -2.544 -8.892 -1.210 1.00 0.00 O ATOM 686 CB ALA A 45 -2.510 -6.570 -3.486 1.00 0.00 C ATOM 0 H ALA A 45 -4.760 -5.735 -2.875 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.691 -8.357 -3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.562 -7.106 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.834 -6.338 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.382 -5.644 -2.925 1.00 0.00 H new ATOM 692 N ILE A 46 -3.354 -6.961 -0.393 1.00 0.00 N ATOM 693 CA ILE A 46 -2.954 -7.174 0.992 1.00 0.00 C ATOM 694 C ILE A 46 -3.726 -8.371 1.552 1.00 0.00 C ATOM 695 O ILE A 46 -4.914 -8.286 1.892 1.00 0.00 O ATOM 696 CB ILE A 46 -3.160 -5.895 1.832 1.00 0.00 C ATOM 697 CG1 ILE A 46 -2.225 -4.756 1.387 1.00 0.00 C ATOM 698 CG2 ILE A 46 -2.850 -6.170 3.310 1.00 0.00 C ATOM 699 CD1 ILE A 46 -2.745 -3.377 1.792 1.00 0.00 C ATOM 0 H ILE A 46 -3.843 -6.077 -0.537 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.888 -7.399 1.039 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.200 -5.600 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.238 -4.910 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.105 -4.791 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.000 -5.259 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.515 -6.950 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.815 -6.497 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.047 -2.611 1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.720 -3.207 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.839 -3.328 2.877 1.00 0.00 H new ATOM 711 N LYS A 47 -3.033 -9.498 1.693 1.00 0.00 N ATOM 712 CA LYS A 47 -3.573 -10.653 2.384 1.00 0.00 C ATOM 713 C LYS A 47 -3.183 -10.615 3.854 1.00 0.00 C ATOM 714 O LYS A 47 -2.266 -9.899 4.259 1.00 0.00 O ATOM 715 CB LYS A 47 -3.118 -11.937 1.683 1.00 0.00 C ATOM 716 CG LYS A 47 -3.585 -12.034 0.219 1.00 0.00 C ATOM 717 CD LYS A 47 -5.101 -11.893 0.030 1.00 0.00 C ATOM 718 CE LYS A 47 -5.457 -12.009 -1.452 1.00 0.00 C ATOM 719 NZ LYS A 47 -6.827 -12.524 -1.631 1.00 0.00 N ATOM 0 H LYS A 47 -2.088 -9.631 1.332 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.662 -10.633 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.030 -11.993 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.497 -12.797 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.084 -11.259 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.267 -12.994 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.620 -12.665 0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.436 -10.931 0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.367 -11.033 -1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.748 -12.672 -1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.104 -12.434 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.861 -13.525 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.484 -11.977 -1.039 1.00 0.00 H new ATOM 733 N LYS A 48 -3.939 -11.346 4.672 1.00 0.00 N ATOM 734 CA LYS A 48 -3.633 -11.666 6.058 1.00 0.00 C ATOM 735 C LYS A 48 -2.356 -12.504 6.059 1.00 0.00 C ATOM 736 O LYS A 48 -2.030 -13.104 5.029 1.00 0.00 O ATOM 737 CB LYS A 48 -4.789 -12.505 6.643 1.00 0.00 C ATOM 738 CG LYS A 48 -6.102 -11.761 6.918 1.00 0.00 C ATOM 739 CD LYS A 48 -6.038 -10.988 8.238 1.00 0.00 C ATOM 740 CE LYS A 48 -7.373 -10.306 8.558 1.00 0.00 C ATOM 741 NZ LYS A 48 -8.337 -11.230 9.189 1.00 0.00 N ATOM 0 H LYS A 48 -4.825 -11.749 4.367 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.505 -10.761 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.998 -13.324 5.955 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.448 -12.952 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.310 -11.071 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.926 -12.474 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.774 -11.669 9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.249 -10.238 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.196 -9.460 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.804 -9.906 7.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.224 -10.724 9.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.528 -12.025 8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.939 -11.592 10.079 1.00 0.00 H new ATOM 755 N PRO A 49 -1.720 -12.711 7.222 1.00 0.00 N ATOM 756 CA PRO A 49 -0.681 -13.721 7.351 1.00 0.00 C ATOM 757 C PRO A 49 -1.241 -15.131 7.083 1.00 0.00 C ATOM 758 O PRO A 49 -0.492 -16.055 6.778 1.00 0.00 O ATOM 759 CB PRO A 49 -0.144 -13.577 8.779 1.00 0.00 C ATOM 760 CG PRO A 49 -0.775 -12.296 9.333 1.00 0.00 C ATOM 761 CD PRO A 49 -2.062 -12.178 8.527 1.00 0.00 C ATOM 0 HA PRO A 49 0.115 -13.582 6.619 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.413 -14.441 9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.944 -13.511 8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.973 -12.372 10.402 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.127 -11.431 9.190 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.872 -12.743 8.987 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.395 -11.142 8.459 1.00 0.00 H new ATOM 769 N SER A 50 -2.559 -15.315 7.192 1.00 0.00 N ATOM 770 CA SER A 50 -3.309 -16.532 6.891 1.00 0.00 C ATOM 771 C SER A 50 -3.563 -16.729 5.385 1.00 0.00 C ATOM 772 O SER A 50 -4.151 -17.729 4.992 1.00 0.00 O ATOM 773 CB SER A 50 -4.663 -16.440 7.618 1.00 0.00 C ATOM 774 OG SER A 50 -4.556 -15.706 8.831 1.00 0.00 O ATOM 0 H SER A 50 -3.170 -14.565 7.515 1.00 0.00 H new ATOM 0 HA SER A 50 -2.717 -17.384 7.225 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.395 -15.963 6.966 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.032 -17.444 7.830 1.00 0.00 H new ATOM 0 HG SER A 50 -5.433 -15.665 9.267 1.00 0.00 H new ATOM 780 N GLY A 51 -3.205 -15.757 4.538 1.00 0.00 N ATOM 781 CA GLY A 51 -3.536 -15.755 3.115 1.00 0.00 C ATOM 782 C GLY A 51 -4.949 -15.241 2.816 1.00 0.00 C ATOM 783 O GLY A 51 -5.273 -15.019 1.652 1.00 0.00 O ATOM 0 H GLY A 51 -2.669 -14.939 4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.813 -15.137 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.437 -16.768 2.726 1.00 0.00 H new ATOM 787 N ASP A 52 -5.777 -15.011 3.839 1.00 0.00 N ATOM 788 CA ASP A 52 -7.120 -14.423 3.739 1.00 0.00 C ATOM 789 C ASP A 52 -7.069 -12.983 3.216 1.00 0.00 C ATOM 790 O ASP A 52 -6.007 -12.372 3.235 1.00 0.00 O ATOM 791 CB ASP A 52 -7.777 -14.409 5.131 1.00 0.00 C ATOM 792 CG ASP A 52 -8.942 -15.374 5.309 1.00 0.00 C ATOM 793 OD1 ASP A 52 -9.655 -15.713 4.334 1.00 0.00 O ATOM 794 OD2 ASP A 52 -9.189 -15.707 6.489 1.00 0.00 O ATOM 0 H ASP A 52 -5.521 -15.238 4.800 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.696 -15.030 3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.016 -14.642 5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.128 -13.398 5.339 1.00 0.00 H new ATOM 799 N ASP A 53 -8.191 -12.367 2.837 1.00 0.00 N ATOM 800 CA ASP A 53 -8.210 -10.938 2.489 1.00 0.00 C ATOM 801 C ASP A 53 -8.124 -10.101 3.765 1.00 0.00 C ATOM 802 O ASP A 53 -9.005 -10.236 4.623 1.00 0.00 O ATOM 803 CB ASP A 53 -9.503 -10.544 1.760 1.00 0.00 C ATOM 804 CG ASP A 53 -9.643 -11.221 0.407 1.00 0.00 C ATOM 805 OD1 ASP A 53 -8.805 -10.985 -0.487 1.00 0.00 O ATOM 806 OD2 ASP A 53 -10.622 -11.974 0.220 1.00 0.00 O ATOM 0 H ASP A 53 -9.097 -12.830 2.762 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.360 -10.754 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.360 -10.804 2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.524 -9.463 1.624 1.00 0.00 H new ATOM 811 N ARG A 54 -7.146 -9.190 3.904 1.00 0.00 N ATOM 812 CA ARG A 54 -7.262 -8.162 4.951 1.00 0.00 C ATOM 813 C ARG A 54 -8.471 -7.280 4.665 1.00 0.00 C ATOM 814 O ARG A 54 -9.243 -6.989 5.581 1.00 0.00 O ATOM 815 CB ARG A 54 -5.984 -7.315 5.138 1.00 0.00 C ATOM 816 CG ARG A 54 -4.884 -8.131 5.840 1.00 0.00 C ATOM 817 CD ARG A 54 -3.720 -7.337 6.459 1.00 0.00 C ATOM 818 NE ARG A 54 -3.103 -8.020 7.619 1.00 0.00 N ATOM 819 CZ ARG A 54 -1.793 -8.158 7.884 1.00 0.00 C ATOM 820 NH1 ARG A 54 -0.854 -7.917 6.984 1.00 0.00 N ATOM 821 NH2 ARG A 54 -1.383 -8.537 9.083 1.00 0.00 N ATOM 0 H ARG A 54 -6.302 -9.142 3.333 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.399 -8.684 5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.625 -6.972 4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.214 -6.426 5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.350 -8.721 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -4.469 -8.834 5.118 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.959 -7.167 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.082 -6.358 6.772 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.746 -8.433 8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.113 -7.613 6.045 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.129 -8.035 7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.064 -8.728 9.818 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.386 -8.638 9.273 1.00 0.00 H new ATOM 835 N TYR A 55 -8.724 -6.946 3.396 1.00 0.00 N ATOM 836 CA TYR A 55 -9.772 -6.008 3.015 1.00 0.00 C ATOM 837 C TYR A 55 -10.677 -6.623 1.946 1.00 0.00 C ATOM 838 O TYR A 55 -10.554 -6.347 0.750 1.00 0.00 O ATOM 839 CB TYR A 55 -9.114 -4.689 2.586 1.00 0.00 C ATOM 840 CG TYR A 55 -8.168 -4.129 3.635 1.00 0.00 C ATOM 841 CD1 TYR A 55 -8.682 -3.652 4.855 1.00 0.00 C ATOM 842 CD2 TYR A 55 -6.772 -4.189 3.443 1.00 0.00 C ATOM 843 CE1 TYR A 55 -7.807 -3.226 5.867 1.00 0.00 C ATOM 844 CE2 TYR A 55 -5.895 -3.762 4.458 1.00 0.00 C ATOM 845 CZ TYR A 55 -6.412 -3.266 5.677 1.00 0.00 C ATOM 846 OH TYR A 55 -5.580 -2.859 6.672 1.00 0.00 O ATOM 0 H TYR A 55 -8.203 -7.323 2.604 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.427 -5.788 3.859 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.565 -4.848 1.658 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.890 -3.954 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.750 -3.614 5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.374 -4.565 2.512 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.208 -2.863 6.802 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -4.827 -3.813 4.306 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.084 -2.327 7.323 1.00 0.00 H new ATOM 856 N ASN A 56 -11.614 -7.473 2.381 1.00 0.00 N ATOM 857 CA ASN A 56 -12.714 -7.938 1.535 1.00 0.00 C ATOM 858 C ASN A 56 -13.636 -6.773 1.165 1.00 0.00 C ATOM 859 O ASN A 56 -13.522 -5.674 1.719 1.00 0.00 O ATOM 860 CB ASN A 56 -13.571 -8.999 2.243 1.00 0.00 C ATOM 861 CG ASN A 56 -13.938 -10.128 1.288 1.00 0.00 C ATOM 862 OD1 ASN A 56 -14.533 -9.891 0.239 1.00 0.00 O ATOM 863 ND2 ASN A 56 -13.571 -11.352 1.605 1.00 0.00 N ATOM 0 H ASN A 56 -11.630 -7.856 3.326 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.258 -8.371 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.026 -9.402 3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.478 -8.538 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.780 -12.126 0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.078 -11.526 2.481 1.00 0.00 H new ATOM 870 N GLN A 57 -14.654 -7.056 0.350 1.00 0.00 N ATOM 871 CA GLN A 57 -15.635 -6.082 -0.094 1.00 0.00 C ATOM 872 C GLN A 57 -16.324 -5.333 1.043 1.00 0.00 C ATOM 873 O GLN A 57 -16.729 -4.185 0.869 1.00 0.00 O ATOM 874 CB GLN A 57 -16.724 -6.726 -0.949 1.00 0.00 C ATOM 875 CG GLN A 57 -16.285 -7.131 -2.357 1.00 0.00 C ATOM 876 CD GLN A 57 -17.449 -7.768 -3.115 1.00 0.00 C ATOM 877 OE1 GLN A 57 -18.600 -7.735 -2.679 1.00 0.00 O ATOM 878 NE2 GLN A 57 -17.181 -8.437 -4.215 1.00 0.00 N ATOM 0 H GLN A 57 -14.817 -7.991 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.054 -5.367 -0.677 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.095 -7.611 -0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.559 -6.031 -1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -15.925 -6.256 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -15.453 -7.833 -2.298 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.227 -8.464 -4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.927 -8.929 -4.707 1.00 0.00 H new ATOM 887 N PHE A 58 -16.484 -5.968 2.202 1.00 0.00 N ATOM 888 CA PHE A 58 -17.106 -5.336 3.356 1.00 0.00 C ATOM 889 C PHE A 58 -16.338 -4.083 3.796 1.00 0.00 C ATOM 890 O PHE A 58 -16.943 -3.103 4.227 1.00 0.00 O ATOM 891 CB PHE A 58 -17.211 -6.368 4.482 1.00 0.00 C ATOM 892 CG PHE A 58 -17.958 -5.858 5.695 1.00 0.00 C ATOM 893 CD1 PHE A 58 -19.260 -5.342 5.549 1.00 0.00 C ATOM 894 CD2 PHE A 58 -17.334 -5.845 6.957 1.00 0.00 C ATOM 895 CE1 PHE A 58 -19.911 -4.769 6.651 1.00 0.00 C ATOM 896 CE2 PHE A 58 -17.998 -5.291 8.063 1.00 0.00 C ATOM 897 CZ PHE A 58 -19.278 -4.734 7.904 1.00 0.00 C ATOM 0 H PHE A 58 -16.187 -6.930 2.364 1.00 0.00 H new ATOM 0 HA PHE A 58 -18.107 -4.996 3.089 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -17.713 -7.259 4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.208 -6.671 4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -19.756 -5.387 4.591 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -16.344 -6.261 7.074 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -20.901 -4.354 6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -17.526 -5.293 9.034 1.00 0.00 H new ATOM 0 HZ PHE A 58 -19.776 -4.278 8.747 1.00 0.00 H new ATOM 907 N HIS A 59 -15.011 -4.089 3.644 1.00 0.00 N ATOM 908 CA HIS A 59 -14.170 -2.934 3.913 1.00 0.00 C ATOM 909 C HIS A 59 -14.145 -2.018 2.691 1.00 0.00 C ATOM 910 O HIS A 59 -14.304 -0.809 2.832 1.00 0.00 O ATOM 911 CB HIS A 59 -12.763 -3.398 4.312 1.00 0.00 C ATOM 912 CG HIS A 59 -12.765 -4.193 5.594 1.00 0.00 C ATOM 913 ND1 HIS A 59 -12.677 -5.564 5.710 1.00 0.00 N ATOM 914 CD2 HIS A 59 -12.925 -3.678 6.854 1.00 0.00 C ATOM 915 CE1 HIS A 59 -12.783 -5.862 7.015 1.00 0.00 C ATOM 916 NE2 HIS A 59 -12.971 -4.752 7.751 1.00 0.00 N ATOM 0 H HIS A 59 -14.491 -4.907 3.327 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.578 -2.362 4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.342 -4.006 3.511 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.115 -2.529 4.427 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.002 -2.631 7.109 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.725 -6.861 7.420 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.118 -4.703 8.759 1.00 0.00 H new ATOM 924 N ILE A 60 -13.981 -2.570 1.482 1.00 0.00 N ATOM 925 CA ILE A 60 -13.919 -1.792 0.241 1.00 0.00 C ATOM 926 C ILE A 60 -15.129 -0.872 0.111 1.00 0.00 C ATOM 927 O ILE A 60 -14.956 0.293 -0.229 1.00 0.00 O ATOM 928 CB ILE A 60 -13.759 -2.718 -0.980 1.00 0.00 C ATOM 929 CG1 ILE A 60 -12.461 -3.547 -0.901 1.00 0.00 C ATOM 930 CG2 ILE A 60 -13.816 -1.973 -2.320 1.00 0.00 C ATOM 931 CD1 ILE A 60 -11.154 -2.747 -0.854 1.00 0.00 C ATOM 0 H ILE A 60 -13.887 -3.575 1.338 1.00 0.00 H new ATOM 0 HA ILE A 60 -13.036 -1.154 0.279 1.00 0.00 H new ATOM 0 HB ILE A 60 -14.616 -3.390 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -12.510 -4.178 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.426 -4.213 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.697 -2.684 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -14.778 -1.469 -2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -13.014 -1.236 -2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.309 -3.433 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -11.068 -2.137 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -11.154 -2.101 0.024 1.00 0.00 H new ATOM 943 N ARG A 61 -16.337 -1.343 0.421 1.00 0.00 N ATOM 944 CA ARG A 61 -17.530 -0.503 0.374 1.00 0.00 C ATOM 945 C ARG A 61 -17.453 0.690 1.326 1.00 0.00 C ATOM 946 O ARG A 61 -17.871 1.788 0.955 1.00 0.00 O ATOM 947 CB ARG A 61 -18.768 -1.347 0.666 1.00 0.00 C ATOM 948 CG ARG A 61 -19.211 -2.200 -0.532 1.00 0.00 C ATOM 949 CD ARG A 61 -19.778 -1.382 -1.699 1.00 0.00 C ATOM 950 NE ARG A 61 -21.065 -0.751 -1.364 1.00 0.00 N ATOM 951 CZ ARG A 61 -21.673 0.236 -2.033 1.00 0.00 C ATOM 952 NH1 ARG A 61 -21.103 0.784 -3.101 1.00 0.00 N ATOM 953 NH2 ARG A 61 -22.864 0.665 -1.629 1.00 0.00 N ATOM 0 H ARG A 61 -16.514 -2.306 0.708 1.00 0.00 H new ATOM 0 HA ARG A 61 -17.597 -0.090 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -18.563 -2.001 1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -19.587 -0.691 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.360 -2.780 -0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -19.966 -2.912 -0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.061 -0.612 -1.982 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -19.908 -2.031 -2.565 1.00 0.00 H new ATOM 0 HE ARG A 61 -21.544 -1.103 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.192 0.453 -3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.576 1.536 -3.603 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -23.309 0.243 -0.814 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -23.333 1.417 -2.134 1.00 0.00 H new ATOM 967 N ARG A 62 -16.889 0.516 2.524 1.00 0.00 N ATOM 968 CA ARG A 62 -16.619 1.611 3.443 1.00 0.00 C ATOM 969 C ARG A 62 -15.691 2.604 2.750 1.00 0.00 C ATOM 970 O ARG A 62 -15.979 3.798 2.727 1.00 0.00 O ATOM 971 CB ARG A 62 -16.017 1.057 4.754 1.00 0.00 C ATOM 972 CG ARG A 62 -16.309 1.906 5.999 1.00 0.00 C ATOM 973 CD ARG A 62 -15.978 3.388 5.805 1.00 0.00 C ATOM 974 NE ARG A 62 -15.991 4.147 7.070 1.00 0.00 N ATOM 975 CZ ARG A 62 -16.450 5.396 7.242 1.00 0.00 C ATOM 976 NH1 ARG A 62 -16.933 6.079 6.207 1.00 0.00 N ATOM 977 NH2 ARG A 62 -16.439 5.958 8.444 1.00 0.00 N ATOM 0 H ARG A 62 -16.607 -0.397 2.881 1.00 0.00 H new ATOM 0 HA ARG A 62 -17.538 2.132 3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -16.402 0.050 4.918 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -14.937 0.970 4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.362 1.806 6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -15.733 1.518 6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.995 3.479 5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.697 3.829 5.115 1.00 0.00 H new ATOM 0 HE ARG A 62 -15.615 3.677 7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.955 5.653 5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -17.281 7.028 6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -16.080 5.440 9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -16.790 6.908 8.566 1.00 0.00 H new ATOM 991 N PHE A 63 -14.588 2.120 2.177 1.00 0.00 N ATOM 992 CA PHE A 63 -13.618 2.964 1.495 1.00 0.00 C ATOM 993 C PHE A 63 -14.234 3.687 0.283 1.00 0.00 C ATOM 994 O PHE A 63 -13.965 4.869 0.090 1.00 0.00 O ATOM 995 CB PHE A 63 -12.371 2.151 1.121 1.00 0.00 C ATOM 996 CG PHE A 63 -11.523 1.652 2.286 1.00 0.00 C ATOM 997 CD1 PHE A 63 -10.764 2.556 3.051 1.00 0.00 C ATOM 998 CD2 PHE A 63 -11.416 0.275 2.562 1.00 0.00 C ATOM 999 CE1 PHE A 63 -9.914 2.085 4.066 1.00 0.00 C ATOM 1000 CE2 PHE A 63 -10.522 -0.200 3.540 1.00 0.00 C ATOM 1001 CZ PHE A 63 -9.755 0.709 4.284 1.00 0.00 C ATOM 0 H PHE A 63 -14.346 1.129 2.175 1.00 0.00 H new ATOM 0 HA PHE A 63 -13.306 3.749 2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -12.687 1.290 0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.742 2.765 0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.835 3.616 2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -12.029 -0.427 2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.378 2.790 4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.427 -1.261 3.717 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.048 0.352 5.018 1.00 0.00 H new ATOM 1011 N GLU A 64 -15.108 3.049 -0.499 1.00 0.00 N ATOM 1012 CA GLU A 64 -15.896 3.689 -1.552 1.00 0.00 C ATOM 1013 C GLU A 64 -16.666 4.869 -0.954 1.00 0.00 C ATOM 1014 O GLU A 64 -16.600 5.972 -1.482 1.00 0.00 O ATOM 1015 CB GLU A 64 -16.888 2.714 -2.211 1.00 0.00 C ATOM 1016 CG GLU A 64 -16.297 1.660 -3.155 1.00 0.00 C ATOM 1017 CD GLU A 64 -17.347 0.608 -3.544 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -18.491 0.995 -3.895 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -17.067 -0.603 -3.419 1.00 0.00 O ATOM 0 H GLU A 64 -15.291 2.049 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.207 4.029 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.431 2.196 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.619 3.299 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.916 2.146 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.450 1.171 -2.673 1.00 0.00 H new ATOM 1026 N ALA A 65 -17.359 4.677 0.172 1.00 0.00 N ATOM 1027 CA ALA A 65 -18.148 5.735 0.799 1.00 0.00 C ATOM 1028 C ALA A 65 -17.303 6.943 1.249 1.00 0.00 C ATOM 1029 O ALA A 65 -17.863 8.002 1.534 1.00 0.00 O ATOM 1030 CB ALA A 65 -18.943 5.147 1.968 1.00 0.00 C ATOM 0 H ALA A 65 -17.388 3.788 0.671 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.832 6.125 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.533 5.933 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.608 4.366 1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.255 4.723 2.699 1.00 0.00 H new ATOM 1036 N LEU A 66 -15.971 6.826 1.302 1.00 0.00 N ATOM 1037 CA LEU A 66 -15.058 7.953 1.479 1.00 0.00 C ATOM 1038 C LEU A 66 -14.938 8.714 0.162 1.00 0.00 C ATOM 1039 O LEU A 66 -15.242 9.908 0.089 1.00 0.00 O ATOM 1040 CB LEU A 66 -13.663 7.467 1.907 1.00 0.00 C ATOM 1041 CG LEU A 66 -13.643 6.570 3.145 1.00 0.00 C ATOM 1042 CD1 LEU A 66 -12.230 6.015 3.243 1.00 0.00 C ATOM 1043 CD2 LEU A 66 -14.032 7.327 4.417 1.00 0.00 C ATOM 0 H LEU A 66 -15.493 5.929 1.221 1.00 0.00 H new ATOM 0 HA LEU A 66 -15.456 8.603 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -13.213 6.924 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.034 8.337 2.097 1.00 0.00 H new ATOM 0 HG LEU A 66 -14.380 5.772 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.155 5.363 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.999 5.446 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.522 6.838 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.003 6.647 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.331 8.145 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.039 7.729 4.308 1.00 0.00 H new ATOM 1055 N LEU A 67 -14.485 8.017 -0.884 1.00 0.00 N ATOM 1056 CA LEU A 67 -14.135 8.607 -2.172 1.00 0.00 C ATOM 1057 C LEU A 67 -15.354 9.227 -2.837 1.00 0.00 C ATOM 1058 O LEU A 67 -15.251 10.261 -3.490 1.00 0.00 O ATOM 1059 CB LEU A 67 -13.443 7.551 -3.052 1.00 0.00 C ATOM 1060 CG LEU A 67 -14.323 6.655 -3.948 1.00 0.00 C ATOM 1061 CD1 LEU A 67 -14.689 7.285 -5.299 1.00 0.00 C ATOM 1062 CD2 LEU A 67 -13.563 5.366 -4.237 1.00 0.00 C ATOM 0 H LEU A 67 -14.350 7.006 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.428 9.423 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.732 8.069 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.864 6.900 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.252 6.492 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.308 6.592 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -15.240 8.210 -5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.779 7.501 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.171 4.719 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.629 5.601 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.345 4.854 -3.300 1.00 0.00 H new ATOM 1074 N GLN A 68 -16.526 8.625 -2.637 1.00 0.00 N ATOM 1075 CA GLN A 68 -17.788 9.067 -3.206 1.00 0.00 C ATOM 1076 C GLN A 68 -18.145 10.494 -2.761 1.00 0.00 C ATOM 1077 O GLN A 68 -18.940 11.147 -3.441 1.00 0.00 O ATOM 1078 CB GLN A 68 -18.867 8.048 -2.803 1.00 0.00 C ATOM 1079 CG GLN A 68 -18.725 6.704 -3.548 1.00 0.00 C ATOM 1080 CD GLN A 68 -19.302 6.704 -4.960 1.00 0.00 C ATOM 1081 OE1 GLN A 68 -20.305 7.351 -5.238 1.00 0.00 O ATOM 1082 NE2 GLN A 68 -18.725 5.962 -5.889 1.00 0.00 N ATOM 0 H GLN A 68 -16.621 7.792 -2.056 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.713 9.111 -4.292 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.811 7.871 -1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.852 8.469 -3.006 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.669 6.441 -3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.219 5.926 -2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.890 5.421 -5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -19.115 5.930 -6.831 1.00 0.00 H new ATOM 1091 N THR A 69 -17.540 10.997 -1.677 1.00 0.00 N ATOM 1092 CA THR A 69 -17.796 12.310 -1.100 1.00 0.00 C ATOM 1093 C THR A 69 -16.499 13.142 -0.950 1.00 0.00 C ATOM 1094 O THR A 69 -16.567 14.317 -0.571 1.00 0.00 O ATOM 1095 CB THR A 69 -18.635 12.102 0.181 1.00 0.00 C ATOM 1096 OG1 THR A 69 -19.142 13.296 0.743 1.00 0.00 O ATOM 1097 CG2 THR A 69 -17.850 11.358 1.260 1.00 0.00 C ATOM 0 H THR A 69 -16.831 10.474 -1.162 1.00 0.00 H new ATOM 0 HA THR A 69 -18.388 12.937 -1.767 1.00 0.00 H new ATOM 0 HB THR A 69 -19.483 11.504 -0.153 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.532 14.037 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 69 -18.476 11.232 2.144 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.553 10.379 0.884 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.961 11.931 1.523 1.00 0.00 H new ATOM 1105 N GLY A 70 -15.322 12.592 -1.282 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.075 13.351 -1.349 1.00 0.00 C ATOM 1107 C GLY A 70 -13.140 13.180 -0.156 1.00 0.00 C ATOM 1108 O GLY A 70 -12.311 14.060 0.089 1.00 0.00 O ATOM 0 H GLY A 70 -15.213 11.604 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.540 13.059 -2.253 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.318 14.409 -1.450 1.00 0.00 H new ATOM 1112 N LYS A 71 -13.273 12.131 0.660 1.00 0.00 N ATOM 1113 CA LYS A 71 -12.175 11.675 1.498 1.00 0.00 C ATOM 1114 C LYS A 71 -11.371 10.648 0.703 1.00 0.00 C ATOM 1115 O LYS A 71 -11.977 9.741 0.136 1.00 0.00 O ATOM 1116 CB LYS A 71 -12.771 11.022 2.744 1.00 0.00 C ATOM 1117 CG LYS A 71 -13.408 12.054 3.681 1.00 0.00 C ATOM 1118 CD LYS A 71 -13.132 11.726 5.141 1.00 0.00 C ATOM 1119 CE LYS A 71 -11.629 11.921 5.390 1.00 0.00 C ATOM 1120 NZ LYS A 71 -11.272 11.958 6.820 1.00 0.00 N ATOM 0 H LYS A 71 -14.130 11.586 0.754 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.526 12.500 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.522 10.290 2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.991 10.480 3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.019 13.046 3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.484 12.086 3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.715 12.375 5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.426 10.701 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.080 11.112 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.308 12.850 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.245 12.092 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.769 12.746 7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.549 11.062 7.270 1.00 0.00 H new ATOM 1134 N SER A 72 -10.040 10.754 0.661 1.00 0.00 N ATOM 1135 CA SER A 72 -9.260 9.771 -0.084 1.00 0.00 C ATOM 1136 C SER A 72 -9.374 8.402 0.601 1.00 0.00 C ATOM 1137 O SER A 72 -9.036 8.289 1.786 1.00 0.00 O ATOM 1138 CB SER A 72 -7.785 10.158 -0.206 1.00 0.00 C ATOM 1139 OG SER A 72 -7.213 9.480 -1.316 1.00 0.00 O ATOM 0 H SER A 72 -9.497 11.486 1.119 1.00 0.00 H new ATOM 0 HA SER A 72 -9.669 9.731 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.689 11.236 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.252 9.898 0.708 1.00 0.00 H new ATOM 0 HG SER A 72 -7.627 9.801 -2.144 1.00 0.00 H new ATOM 1145 N PRO A 73 -9.762 7.344 -0.128 1.00 0.00 N ATOM 1146 CA PRO A 73 -9.717 5.984 0.381 1.00 0.00 C ATOM 1147 C PRO A 73 -8.272 5.534 0.558 1.00 0.00 C ATOM 1148 O PRO A 73 -8.005 4.777 1.484 1.00 0.00 O ATOM 1149 CB PRO A 73 -10.447 5.150 -0.672 1.00 0.00 C ATOM 1150 CG PRO A 73 -10.159 5.898 -1.974 1.00 0.00 C ATOM 1151 CD PRO A 73 -10.104 7.358 -1.542 1.00 0.00 C ATOM 0 HA PRO A 73 -10.184 5.883 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.073 4.127 -0.705 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.516 5.092 -0.469 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.219 5.576 -2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.940 5.728 -2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.360 7.908 -2.118 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.062 7.850 -1.707 1.00 0.00 H new ATOM 1159 N THR A 74 -7.345 6.051 -0.261 1.00 0.00 N ATOM 1160 CA THR A 74 -5.915 5.833 -0.127 1.00 0.00 C ATOM 1161 C THR A 74 -5.493 6.099 1.312 1.00 0.00 C ATOM 1162 O THR A 74 -4.836 5.259 1.917 1.00 0.00 O ATOM 1163 CB THR A 74 -5.152 6.792 -1.056 1.00 0.00 C ATOM 1164 OG1 THR A 74 -5.594 6.670 -2.392 1.00 0.00 O ATOM 1165 CG2 THR A 74 -3.639 6.570 -0.954 1.00 0.00 C ATOM 0 H THR A 74 -7.585 6.647 -1.053 1.00 0.00 H new ATOM 0 HA THR A 74 -5.686 4.802 -0.397 1.00 0.00 H new ATOM 0 HB THR A 74 -5.364 7.810 -0.728 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.493 7.531 -2.850 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.124 7.261 -1.621 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.314 6.745 0.071 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.402 5.545 -1.240 1.00 0.00 H new ATOM 1173 N CYS A 75 -5.821 7.288 1.822 1.00 0.00 N ATOM 1174 CA CYS A 75 -5.287 7.772 3.077 1.00 0.00 C ATOM 1175 C CYS A 75 -5.808 6.926 4.231 1.00 0.00 C ATOM 1176 O CYS A 75 -5.012 6.430 5.022 1.00 0.00 O ATOM 1177 CB CYS A 75 -5.627 9.264 3.193 1.00 0.00 C ATOM 1178 SG CYS A 75 -5.018 9.951 4.761 1.00 0.00 S ATOM 0 H CYS A 75 -6.466 7.936 1.369 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.202 7.676 3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -5.185 9.807 2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -6.706 9.401 3.127 1.00 0.00 H new ATOM 0 HG CYS A 75 -5.319 11.214 4.828 1.00 0.00 H new ATOM 1184 N GLU A 76 -7.123 6.722 4.300 1.00 0.00 N ATOM 1185 CA GLU A 76 -7.738 5.872 5.311 1.00 0.00 C ATOM 1186 C GLU A 76 -7.174 4.455 5.263 1.00 0.00 C ATOM 1187 O GLU A 76 -6.875 3.880 6.307 1.00 0.00 O ATOM 1188 CB GLU A 76 -9.254 5.845 5.079 1.00 0.00 C ATOM 1189 CG GLU A 76 -9.981 6.990 5.791 1.00 0.00 C ATOM 1190 CD GLU A 76 -9.796 7.009 7.313 1.00 0.00 C ATOM 1191 OE1 GLU A 76 -10.491 6.246 8.031 1.00 0.00 O ATOM 1192 OE2 GLU A 76 -9.060 7.888 7.806 1.00 0.00 O ATOM 0 H GLU A 76 -7.790 7.144 3.654 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.517 6.280 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.455 5.902 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.654 4.893 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.629 7.937 5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.046 6.923 5.568 1.00 0.00 H new ATOM 1199 N LEU A 77 -7.039 3.886 4.064 1.00 0.00 N ATOM 1200 CA LEU A 77 -6.517 2.539 3.867 1.00 0.00 C ATOM 1201 C LEU A 77 -5.096 2.453 4.410 1.00 0.00 C ATOM 1202 O LEU A 77 -4.804 1.568 5.207 1.00 0.00 O ATOM 1203 CB LEU A 77 -6.560 2.176 2.372 1.00 0.00 C ATOM 1204 CG LEU A 77 -5.813 0.885 1.988 1.00 0.00 C ATOM 1205 CD1 LEU A 77 -6.393 -0.396 2.583 1.00 0.00 C ATOM 1206 CD2 LEU A 77 -5.793 0.780 0.465 1.00 0.00 C ATOM 0 H LEU A 77 -7.293 4.355 3.195 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.136 1.824 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.602 2.077 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.139 3.004 1.801 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.811 0.967 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.800 -1.250 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.371 -0.334 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.423 -0.519 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.268 -0.128 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.816 0.747 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.281 1.647 0.047 1.00 0.00 H new ATOM 1218 N LEU A 78 -4.208 3.344 3.962 1.00 0.00 N ATOM 1219 CA LEU A 78 -2.813 3.348 4.363 1.00 0.00 C ATOM 1220 C LEU A 78 -2.687 3.521 5.880 1.00 0.00 C ATOM 1221 O LEU A 78 -1.839 2.875 6.492 1.00 0.00 O ATOM 1222 CB LEU A 78 -2.050 4.474 3.634 1.00 0.00 C ATOM 1223 CG LEU A 78 -1.748 4.209 2.145 1.00 0.00 C ATOM 1224 CD1 LEU A 78 -0.943 5.373 1.561 1.00 0.00 C ATOM 1225 CD2 LEU A 78 -1.014 2.898 1.833 1.00 0.00 C ATOM 0 H LEU A 78 -4.447 4.087 3.305 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.374 2.389 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.631 5.393 3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.108 4.647 4.154 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.730 4.114 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.733 5.179 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.518 6.295 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.004 5.475 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.855 2.817 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.051 2.890 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.614 2.055 2.175 1.00 0.00 H new ATOM 1237 N PHE A 79 -3.496 4.390 6.496 1.00 0.00 N ATOM 1238 CA PHE A 79 -3.438 4.622 7.935 1.00 0.00 C ATOM 1239 C PHE A 79 -3.960 3.413 8.718 1.00 0.00 C ATOM 1240 O PHE A 79 -3.347 3.059 9.729 1.00 0.00 O ATOM 1241 CB PHE A 79 -4.190 5.908 8.330 1.00 0.00 C ATOM 1242 CG PHE A 79 -3.318 7.035 8.857 1.00 0.00 C ATOM 1243 CD1 PHE A 79 -2.373 6.797 9.878 1.00 0.00 C ATOM 1244 CD2 PHE A 79 -3.499 8.345 8.376 1.00 0.00 C ATOM 1245 CE1 PHE A 79 -1.607 7.855 10.399 1.00 0.00 C ATOM 1246 CE2 PHE A 79 -2.754 9.407 8.920 1.00 0.00 C ATOM 1247 CZ PHE A 79 -1.801 9.163 9.924 1.00 0.00 C ATOM 0 H PHE A 79 -4.202 4.945 6.012 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.390 4.759 8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.737 6.271 7.460 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.930 5.657 9.090 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.237 5.796 10.261 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.212 8.536 7.587 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.870 7.662 11.164 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.915 10.414 8.565 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.220 9.978 10.329 1.00 0.00 H new ATOM 1257 N ASP A 80 -5.055 2.782 8.280 1.00 0.00 N ATOM 1258 CA ASP A 80 -5.601 1.564 8.892 1.00 0.00 C ATOM 1259 C ASP A 80 -4.545 0.468 8.836 1.00 0.00 C ATOM 1260 O ASP A 80 -4.112 -0.046 9.863 1.00 0.00 O ATOM 1261 CB ASP A 80 -6.880 1.112 8.169 1.00 0.00 C ATOM 1262 CG ASP A 80 -7.526 -0.110 8.833 1.00 0.00 C ATOM 1263 OD1 ASP A 80 -7.197 -1.272 8.510 1.00 0.00 O ATOM 1264 OD2 ASP A 80 -8.464 0.098 9.642 1.00 0.00 O ATOM 0 H ASP A 80 -5.595 3.107 7.478 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.863 1.771 9.930 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.595 1.934 8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.643 0.876 7.132 1.00 0.00 H new ATOM 1269 N TRP A 81 -4.052 0.186 7.634 1.00 0.00 N ATOM 1270 CA TRP A 81 -3.054 -0.834 7.377 1.00 0.00 C ATOM 1271 C TRP A 81 -1.739 -0.560 8.121 1.00 0.00 C ATOM 1272 O TRP A 81 -1.042 -1.476 8.570 1.00 0.00 O ATOM 1273 CB TRP A 81 -2.853 -0.885 5.862 1.00 0.00 C ATOM 1274 CG TRP A 81 -2.019 -2.013 5.381 1.00 0.00 C ATOM 1275 CD1 TRP A 81 -2.070 -3.288 5.825 1.00 0.00 C ATOM 1276 CD2 TRP A 81 -0.984 -1.969 4.368 1.00 0.00 C ATOM 1277 NE1 TRP A 81 -1.106 -4.027 5.176 1.00 0.00 N ATOM 1278 CE2 TRP A 81 -0.400 -3.263 4.276 1.00 0.00 C ATOM 1279 CE3 TRP A 81 -0.487 -0.958 3.522 1.00 0.00 C ATOM 1280 CZ2 TRP A 81 0.666 -3.538 3.416 1.00 0.00 C ATOM 1281 CZ3 TRP A 81 0.566 -1.234 2.636 1.00 0.00 C ATOM 1282 CH2 TRP A 81 1.145 -2.513 2.593 1.00 0.00 C ATOM 0 H TRP A 81 -4.348 0.678 6.791 1.00 0.00 H new ATOM 0 HA TRP A 81 -3.395 -1.799 7.751 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.830 -0.944 5.382 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.395 0.050 5.539 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.756 -3.666 6.569 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -0.936 -5.019 5.342 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -0.917 0.032 3.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 1.111 -4.522 3.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 0.934 -0.457 1.982 1.00 0.00 H new ATOM 0 HH2 TRP A 81 1.967 -2.707 1.919 1.00 0.00 H new ATOM 1293 N GLY A 82 -1.417 0.715 8.336 1.00 0.00 N ATOM 1294 CA GLY A 82 -0.300 1.140 9.154 1.00 0.00 C ATOM 1295 C GLY A 82 -0.404 0.617 10.581 1.00 0.00 C ATOM 1296 O GLY A 82 0.621 0.314 11.190 1.00 0.00 O ATOM 0 H GLY A 82 -1.942 1.492 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.630 0.790 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.256 2.229 9.170 1.00 0.00 H new ATOM 1300 N THR A 83 -1.619 0.488 11.107 1.00 0.00 N ATOM 1301 CA THR A 83 -1.887 0.032 12.457 1.00 0.00 C ATOM 1302 C THR A 83 -2.123 -1.484 12.500 1.00 0.00 C ATOM 1303 O THR A 83 -1.929 -2.103 13.551 1.00 0.00 O ATOM 1304 CB THR A 83 -3.038 0.890 13.016 1.00 0.00 C ATOM 1305 OG1 THR A 83 -2.641 1.424 14.259 1.00 0.00 O ATOM 1306 CG2 THR A 83 -4.378 0.178 13.171 1.00 0.00 C ATOM 0 H THR A 83 -2.467 0.706 10.584 1.00 0.00 H new ATOM 0 HA THR A 83 -1.024 0.172 13.108 1.00 0.00 H new ATOM 0 HB THR A 83 -3.218 1.665 12.271 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.365 1.974 14.625 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.115 0.874 13.571 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.712 -0.185 12.199 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.266 -0.664 13.854 1.00 0.00 H new ATOM 1314 N THR A 84 -2.454 -2.124 11.374 1.00 0.00 N ATOM 1315 CA THR A 84 -2.411 -3.557 11.208 1.00 0.00 C ATOM 1316 C THR A 84 -0.970 -4.069 11.352 1.00 0.00 C ATOM 1317 O THR A 84 -0.776 -5.196 11.814 1.00 0.00 O ATOM 1318 CB THR A 84 -3.027 -3.831 9.836 1.00 0.00 C ATOM 1319 OG1 THR A 84 -4.331 -3.292 9.763 1.00 0.00 O ATOM 1320 CG2 THR A 84 -3.060 -5.303 9.515 1.00 0.00 C ATOM 0 H THR A 84 -2.767 -1.633 10.536 1.00 0.00 H new ATOM 0 HA THR A 84 -2.973 -4.091 11.974 1.00 0.00 H new ATOM 0 HB THR A 84 -2.393 -3.344 9.095 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.711 -3.474 8.878 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.506 -5.451 8.531 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.044 -5.699 9.517 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.654 -5.826 10.265 1.00 0.00 H new ATOM 1328 N ASN A 85 0.017 -3.203 11.082 1.00 0.00 N ATOM 1329 CA ASN A 85 1.456 -3.282 11.349 1.00 0.00 C ATOM 1330 C ASN A 85 2.124 -3.755 10.058 1.00 0.00 C ATOM 1331 O ASN A 85 2.565 -4.902 9.958 1.00 0.00 O ATOM 1332 CB ASN A 85 1.882 -4.158 12.553 1.00 0.00 C ATOM 1333 CG ASN A 85 1.298 -3.772 13.910 1.00 0.00 C ATOM 1334 OD1 ASN A 85 1.869 -2.985 14.656 1.00 0.00 O ATOM 1335 ND2 ASN A 85 0.178 -4.352 14.304 1.00 0.00 N ATOM 0 H ASN A 85 -0.205 -2.324 10.614 1.00 0.00 H new ATOM 0 HA ASN A 85 1.783 -2.287 11.651 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.602 -5.190 12.341 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.969 -4.131 12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.207 -4.144 15.225 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.301 -5.008 13.687 1.00 0.00 H new ATOM 1342 N CYS A 86 2.169 -2.884 9.049 1.00 0.00 N ATOM 1343 CA CYS A 86 2.879 -3.099 7.789 1.00 0.00 C ATOM 1344 C CYS A 86 3.738 -1.878 7.460 1.00 0.00 C ATOM 1345 O CYS A 86 3.655 -0.849 8.143 1.00 0.00 O ATOM 1346 CB CYS A 86 1.878 -3.415 6.670 1.00 0.00 C ATOM 1347 SG CYS A 86 1.301 -5.130 6.824 1.00 0.00 S ATOM 0 H CYS A 86 1.697 -1.981 9.088 1.00 0.00 H new ATOM 0 HA CYS A 86 3.546 -3.956 7.885 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.031 -2.731 6.724 1.00 0.00 H new ATOM 0 HB3 CYS A 86 2.347 -3.266 5.698 1.00 0.00 H new ATOM 0 HG CYS A 86 2.021 -5.900 6.063 1.00 0.00 H new ATOM 1353 N THR A 87 4.589 -2.006 6.441 1.00 0.00 N ATOM 1354 CA THR A 87 5.690 -1.089 6.196 1.00 0.00 C ATOM 1355 C THR A 87 5.760 -0.563 4.762 1.00 0.00 C ATOM 1356 O THR A 87 5.054 -1.013 3.862 1.00 0.00 O ATOM 1357 CB THR A 87 7.001 -1.797 6.581 1.00 0.00 C ATOM 1358 OG1 THR A 87 7.096 -3.021 5.874 1.00 0.00 O ATOM 1359 CG2 THR A 87 7.082 -2.105 8.071 1.00 0.00 C ATOM 0 H THR A 87 4.528 -2.760 5.757 1.00 0.00 H new ATOM 0 HA THR A 87 5.524 -0.204 6.811 1.00 0.00 H new ATOM 0 HB THR A 87 7.817 -1.121 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.931 -3.474 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.026 -2.604 8.289 1.00 0.00 H new ATOM 0 HG22 THR A 87 7.024 -1.176 8.638 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.254 -2.755 8.354 1.00 0.00 H new ATOM 1367 N VAL A 88 6.649 0.398 4.541 1.00 0.00 N ATOM 1368 CA VAL A 88 6.884 1.023 3.255 1.00 0.00 C ATOM 1369 C VAL A 88 7.359 -0.027 2.248 1.00 0.00 C ATOM 1370 O VAL A 88 6.961 0.034 1.089 1.00 0.00 O ATOM 1371 CB VAL A 88 7.951 2.114 3.452 1.00 0.00 C ATOM 1372 CG1 VAL A 88 8.619 2.548 2.144 1.00 0.00 C ATOM 1373 CG2 VAL A 88 7.318 3.342 4.103 1.00 0.00 C ATOM 0 H VAL A 88 7.244 0.773 5.280 1.00 0.00 H new ATOM 0 HA VAL A 88 5.968 1.467 2.866 1.00 0.00 H new ATOM 0 HB VAL A 88 8.721 1.680 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.361 3.319 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.108 1.690 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.865 2.945 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.077 4.112 4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.524 3.725 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.901 3.066 5.071 1.00 0.00 H new ATOM 1383 N GLY A 89 8.225 -0.950 2.675 1.00 0.00 N ATOM 1384 CA GLY A 89 8.725 -2.019 1.832 1.00 0.00 C ATOM 1385 C GLY A 89 7.561 -2.895 1.414 1.00 0.00 C ATOM 1386 O GLY A 89 7.433 -3.183 0.229 1.00 0.00 O ATOM 0 H GLY A 89 8.597 -0.969 3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.222 -1.606 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.467 -2.609 2.370 1.00 0.00 H new ATOM 1390 N ASP A 90 6.692 -3.231 2.374 1.00 0.00 N ATOM 1391 CA ASP A 90 5.477 -4.023 2.172 1.00 0.00 C ATOM 1392 C ASP A 90 4.630 -3.357 1.089 1.00 0.00 C ATOM 1393 O ASP A 90 4.184 -4.018 0.153 1.00 0.00 O ATOM 1394 CB ASP A 90 4.672 -4.128 3.491 1.00 0.00 C ATOM 1395 CG ASP A 90 4.579 -5.517 4.115 1.00 0.00 C ATOM 1396 OD1 ASP A 90 5.519 -6.329 3.969 1.00 0.00 O ATOM 1397 OD2 ASP A 90 3.586 -5.772 4.837 1.00 0.00 O ATOM 0 H ASP A 90 6.821 -2.949 3.346 1.00 0.00 H new ATOM 0 HA ASP A 90 5.748 -5.032 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 90 5.121 -3.454 4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.660 -3.768 3.304 1.00 0.00 H new ATOM 1402 N LEU A 91 4.412 -2.044 1.237 1.00 0.00 N ATOM 1403 CA LEU A 91 3.635 -1.193 0.346 1.00 0.00 C ATOM 1404 C LEU A 91 4.232 -1.210 -1.050 1.00 0.00 C ATOM 1405 O LEU A 91 3.534 -1.618 -1.967 1.00 0.00 O ATOM 1406 CB LEU A 91 3.548 0.226 0.939 1.00 0.00 C ATOM 1407 CG LEU A 91 2.885 1.291 0.044 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.500 0.921 -0.505 1.00 0.00 C ATOM 1409 CD2 LEU A 91 2.753 2.589 0.852 1.00 0.00 C ATOM 0 H LEU A 91 4.797 -1.525 2.026 1.00 0.00 H new ATOM 0 HA LEU A 91 2.618 -1.574 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.996 0.173 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.557 0.560 1.181 1.00 0.00 H new ATOM 0 HG LEU A 91 3.533 1.391 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.123 1.737 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.578 0.017 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.815 0.746 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.285 3.356 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.138 2.408 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.742 2.926 1.163 1.00 0.00 H new ATOM 1421 N VAL A 92 5.487 -0.788 -1.222 1.00 0.00 N ATOM 1422 CA VAL A 92 6.214 -0.830 -2.491 1.00 0.00 C ATOM 1423 C VAL A 92 6.003 -2.187 -3.162 1.00 0.00 C ATOM 1424 O VAL A 92 5.680 -2.231 -4.345 1.00 0.00 O ATOM 1425 CB VAL A 92 7.708 -0.552 -2.216 1.00 0.00 C ATOM 1426 CG1 VAL A 92 8.669 -1.154 -3.249 1.00 0.00 C ATOM 1427 CG2 VAL A 92 8.001 0.938 -2.024 1.00 0.00 C ATOM 0 H VAL A 92 6.040 -0.397 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 92 5.840 -0.066 -3.173 1.00 0.00 H new ATOM 0 HB VAL A 92 7.901 -1.071 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.696 -0.909 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.548 -2.237 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 92 8.447 -0.744 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 92 9.065 1.078 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.719 1.483 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.428 1.315 -1.177 1.00 0.00 H new ATOM 1437 N ASP A 93 6.170 -3.269 -2.403 1.00 0.00 N ATOM 1438 CA ASP A 93 6.137 -4.635 -2.907 1.00 0.00 C ATOM 1439 C ASP A 93 4.833 -4.886 -3.657 1.00 0.00 C ATOM 1440 O ASP A 93 4.812 -5.312 -4.815 1.00 0.00 O ATOM 1441 CB ASP A 93 6.257 -5.630 -1.735 1.00 0.00 C ATOM 1442 CG ASP A 93 7.184 -6.814 -1.988 1.00 0.00 C ATOM 1443 OD1 ASP A 93 7.571 -7.048 -3.158 1.00 0.00 O ATOM 1444 OD2 ASP A 93 7.558 -7.490 -0.997 1.00 0.00 O ATOM 0 H ASP A 93 6.336 -3.216 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 93 6.975 -4.777 -3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.611 -5.092 -0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.263 -6.010 -1.497 1.00 0.00 H new ATOM 1449 N LEU A 94 3.728 -4.586 -2.978 1.00 0.00 N ATOM 1450 CA LEU A 94 2.379 -4.741 -3.476 1.00 0.00 C ATOM 1451 C LEU A 94 2.120 -3.745 -4.593 1.00 0.00 C ATOM 1452 O LEU A 94 1.473 -4.108 -5.570 1.00 0.00 O ATOM 1453 CB LEU A 94 1.396 -4.532 -2.319 1.00 0.00 C ATOM 1454 CG LEU A 94 1.480 -5.650 -1.273 1.00 0.00 C ATOM 1455 CD1 LEU A 94 1.076 -5.089 0.081 1.00 0.00 C ATOM 1456 CD2 LEU A 94 0.576 -6.811 -1.667 1.00 0.00 C ATOM 0 H LEU A 94 3.758 -4.214 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 94 2.244 -5.744 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.600 -3.574 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.381 -4.482 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 94 2.502 -6.026 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.132 -5.876 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.750 -4.277 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.055 -4.710 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.646 -7.598 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.455 -6.463 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.890 -7.204 -2.634 1.00 0.00 H new ATOM 1468 N LEU A 95 2.603 -2.507 -4.477 1.00 0.00 N ATOM 1469 CA LEU A 95 2.422 -1.475 -5.491 1.00 0.00 C ATOM 1470 C LEU A 95 3.009 -1.940 -6.821 1.00 0.00 C ATOM 1471 O LEU A 95 2.334 -1.862 -7.843 1.00 0.00 O ATOM 1472 CB LEU A 95 3.049 -0.138 -5.062 1.00 0.00 C ATOM 1473 CG LEU A 95 2.332 0.624 -3.942 1.00 0.00 C ATOM 1474 CD1 LEU A 95 3.149 1.877 -3.600 1.00 0.00 C ATOM 1475 CD2 LEU A 95 0.895 0.992 -4.299 1.00 0.00 C ATOM 0 H LEU A 95 3.136 -2.192 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 95 1.352 -1.308 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.074 -0.328 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.102 0.510 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 95 2.264 -0.032 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.651 2.430 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.145 1.583 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.232 2.509 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.440 1.530 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.891 1.626 -5.186 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.326 0.084 -4.499 1.00 0.00 H new ATOM 1487 N VAL A 96 4.235 -2.459 -6.833 1.00 0.00 N ATOM 1488 CA VAL A 96 4.837 -3.014 -8.039 1.00 0.00 C ATOM 1489 C VAL A 96 3.965 -4.171 -8.569 1.00 0.00 C ATOM 1490 O VAL A 96 3.755 -4.264 -9.785 1.00 0.00 O ATOM 1491 CB VAL A 96 6.306 -3.395 -7.743 1.00 0.00 C ATOM 1492 CG1 VAL A 96 6.992 -4.064 -8.937 1.00 0.00 C ATOM 1493 CG2 VAL A 96 7.142 -2.147 -7.390 1.00 0.00 C ATOM 0 H VAL A 96 4.835 -2.506 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 96 4.871 -2.280 -8.844 1.00 0.00 H new ATOM 0 HB VAL A 96 6.261 -4.092 -6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.021 -4.310 -8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.456 -4.976 -9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.988 -3.382 -9.788 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.171 -2.444 -7.186 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.125 -1.449 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.722 -1.665 -6.507 1.00 0.00 H new ATOM 1503 N GLN A 97 3.369 -4.986 -7.688 1.00 0.00 N ATOM 1504 CA GLN A 97 2.518 -6.113 -8.047 1.00 0.00 C ATOM 1505 C GLN A 97 1.183 -5.698 -8.685 1.00 0.00 C ATOM 1506 O GLN A 97 0.493 -6.549 -9.248 1.00 0.00 O ATOM 1507 CB GLN A 97 2.381 -7.032 -6.816 1.00 0.00 C ATOM 1508 CG GLN A 97 1.000 -7.303 -6.197 1.00 0.00 C ATOM 1509 CD GLN A 97 1.095 -8.299 -5.025 1.00 0.00 C ATOM 1510 OE1 GLN A 97 0.094 -8.818 -4.541 1.00 0.00 O ATOM 1511 NE2 GLN A 97 2.283 -8.578 -4.506 1.00 0.00 N ATOM 0 H GLN A 97 3.473 -4.871 -6.680 1.00 0.00 H new ATOM 0 HA GLN A 97 2.993 -6.682 -8.847 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.808 -7.998 -7.086 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.010 -6.614 -6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.567 -6.366 -5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.329 -7.699 -6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.123 -8.154 -4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.356 -9.217 -3.714 1.00 0.00 H new ATOM 1520 N ILE A 98 0.819 -4.415 -8.650 1.00 0.00 N ATOM 1521 CA ILE A 98 -0.353 -3.853 -9.330 1.00 0.00 C ATOM 1522 C ILE A 98 0.059 -2.800 -10.371 1.00 0.00 C ATOM 1523 O ILE A 98 -0.816 -2.117 -10.905 1.00 0.00 O ATOM 1524 CB ILE A 98 -1.397 -3.329 -8.323 1.00 0.00 C ATOM 1525 CG1 ILE A 98 -0.742 -2.224 -7.489 1.00 0.00 C ATOM 1526 CG2 ILE A 98 -1.956 -4.460 -7.433 1.00 0.00 C ATOM 1527 CD1 ILE A 98 -1.712 -1.421 -6.652 1.00 0.00 C ATOM 0 H ILE A 98 1.348 -3.714 -8.131 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.842 -4.657 -9.880 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.253 -2.924 -8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.002 -2.673 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -0.210 -1.547 -8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.688 -4.048 -6.738 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -2.434 -5.213 -8.059 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.141 -4.918 -6.872 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.167 -0.660 -6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.442 -0.940 -7.303 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.227 -2.083 -5.956 1.00 0.00 H new ATOM 1539 N GLU A 99 1.362 -2.681 -10.667 1.00 0.00 N ATOM 1540 CA GLU A 99 1.948 -1.827 -11.711 1.00 0.00 C ATOM 1541 C GLU A 99 2.063 -0.350 -11.290 1.00 0.00 C ATOM 1542 O GLU A 99 2.334 0.547 -12.098 1.00 0.00 O ATOM 1543 CB GLU A 99 1.192 -2.032 -13.037 1.00 0.00 C ATOM 1544 CG GLU A 99 2.153 -2.234 -14.204 1.00 0.00 C ATOM 1545 CD GLU A 99 1.426 -2.828 -15.406 1.00 0.00 C ATOM 1546 OE1 GLU A 99 0.775 -3.891 -15.264 1.00 0.00 O ATOM 1547 OE2 GLU A 99 1.549 -2.263 -16.517 1.00 0.00 O ATOM 0 H GLU A 99 2.073 -3.206 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 99 2.981 -2.138 -11.866 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.535 -2.897 -12.952 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.557 -1.168 -13.232 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.603 -1.280 -14.480 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.966 -2.894 -13.902 1.00 0.00 H new ATOM 1554 N LEU A 100 1.892 -0.090 -9.992 1.00 0.00 N ATOM 1555 CA LEU A 100 1.901 1.241 -9.390 1.00 0.00 C ATOM 1556 C LEU A 100 3.333 1.655 -9.068 1.00 0.00 C ATOM 1557 O LEU A 100 3.741 1.930 -7.935 1.00 0.00 O ATOM 1558 CB LEU A 100 0.968 1.304 -8.173 1.00 0.00 C ATOM 1559 CG LEU A 100 -0.423 1.887 -8.473 1.00 0.00 C ATOM 1560 CD1 LEU A 100 -0.316 3.355 -8.898 1.00 0.00 C ATOM 1561 CD2 LEU A 100 -1.200 1.101 -9.533 1.00 0.00 C ATOM 0 H LEU A 100 1.738 -0.830 -9.307 1.00 0.00 H new ATOM 0 HA LEU A 100 1.509 1.964 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.849 0.299 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.442 1.905 -7.397 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.984 1.808 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.312 3.747 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.142 3.934 -8.096 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.298 3.430 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.171 1.569 -9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.639 1.099 -10.468 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.343 0.075 -9.193 1.00 0.00 H new ATOM 1573 N PHE A 101 4.121 1.727 -10.124 1.00 0.00 N ATOM 1574 CA PHE A 101 5.514 2.068 -10.051 1.00 0.00 C ATOM 1575 C PHE A 101 5.711 3.497 -9.555 1.00 0.00 C ATOM 1576 O PHE A 101 6.619 3.730 -8.765 1.00 0.00 O ATOM 1577 CB PHE A 101 6.152 1.877 -11.433 1.00 0.00 C ATOM 1578 CG PHE A 101 5.905 0.531 -12.102 1.00 0.00 C ATOM 1579 CD1 PHE A 101 5.977 -0.675 -11.372 1.00 0.00 C ATOM 1580 CD2 PHE A 101 5.628 0.487 -13.483 1.00 0.00 C ATOM 1581 CE1 PHE A 101 5.776 -1.905 -12.022 1.00 0.00 C ATOM 1582 CE2 PHE A 101 5.459 -0.745 -14.139 1.00 0.00 C ATOM 1583 CZ PHE A 101 5.537 -1.938 -13.405 1.00 0.00 C ATOM 0 H PHE A 101 3.796 1.545 -11.073 1.00 0.00 H new ATOM 0 HA PHE A 101 6.001 1.409 -9.333 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.783 2.662 -12.093 1.00 0.00 H new ATOM 0 HB3 PHE A 101 7.228 2.021 -11.337 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.187 -0.653 -10.313 1.00 0.00 H new ATOM 0 HD2 PHE A 101 5.545 1.407 -14.042 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.805 -2.825 -11.457 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.270 -0.773 -15.202 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.413 -2.886 -13.906 1.00 0.00 H new ATOM 1593 N ALA A 102 4.888 4.465 -9.975 1.00 0.00 N ATOM 1594 CA ALA A 102 5.025 5.864 -9.561 1.00 0.00 C ATOM 1595 C ALA A 102 5.102 6.042 -8.027 1.00 0.00 C ATOM 1596 O ALA A 102 6.080 6.635 -7.556 1.00 0.00 O ATOM 1597 CB ALA A 102 3.939 6.733 -10.204 1.00 0.00 C ATOM 0 H ALA A 102 4.108 4.299 -10.612 1.00 0.00 H new ATOM 0 HA ALA A 102 5.989 6.213 -9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.062 7.767 -9.881 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.025 6.679 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.957 6.372 -9.899 1.00 0.00 H new ATOM 1603 N PRO A 103 4.132 5.579 -7.217 1.00 0.00 N ATOM 1604 CA PRO A 103 4.226 5.669 -5.763 1.00 0.00 C ATOM 1605 C PRO A 103 5.304 4.757 -5.173 1.00 0.00 C ATOM 1606 O PRO A 103 5.960 5.183 -4.222 1.00 0.00 O ATOM 1607 CB PRO A 103 2.839 5.334 -5.218 1.00 0.00 C ATOM 1608 CG PRO A 103 2.190 4.540 -6.341 1.00 0.00 C ATOM 1609 CD PRO A 103 2.825 5.084 -7.609 1.00 0.00 C ATOM 0 HA PRO A 103 4.533 6.674 -5.472 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.900 4.751 -4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.272 6.235 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.376 3.472 -6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.109 4.676 -6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.913 4.306 -8.367 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.218 5.881 -8.039 1.00 0.00 H new ATOM 1617 N ALA A 104 5.539 3.564 -5.739 1.00 0.00 N ATOM 1618 CA ALA A 104 6.628 2.687 -5.306 1.00 0.00 C ATOM 1619 C ALA A 104 7.946 3.467 -5.391 1.00 0.00 C ATOM 1620 O ALA A 104 8.699 3.507 -4.426 1.00 0.00 O ATOM 1621 CB ALA A 104 6.656 1.419 -6.171 1.00 0.00 C ATOM 0 H ALA A 104 4.982 3.185 -6.505 1.00 0.00 H new ATOM 0 HA ALA A 104 6.477 2.369 -4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.469 0.772 -5.842 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.708 0.890 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 104 6.810 1.694 -7.214 1.00 0.00 H new ATOM 1627 N THR A 105 8.179 4.186 -6.492 1.00 0.00 N ATOM 1628 CA THR A 105 9.410 4.913 -6.733 1.00 0.00 C ATOM 1629 C THR A 105 9.517 6.114 -5.785 1.00 0.00 C ATOM 1630 O THR A 105 10.610 6.476 -5.367 1.00 0.00 O ATOM 1631 CB THR A 105 9.389 5.431 -8.183 1.00 0.00 C ATOM 1632 OG1 THR A 105 9.121 4.424 -9.133 1.00 0.00 O ATOM 1633 CG2 THR A 105 10.676 6.123 -8.626 1.00 0.00 C ATOM 0 H THR A 105 7.501 4.275 -7.249 1.00 0.00 H new ATOM 0 HA THR A 105 10.259 4.251 -6.564 1.00 0.00 H new ATOM 0 HB THR A 105 8.578 6.158 -8.156 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.152 4.315 -9.230 1.00 0.00 H new ATOM 0 HG21 THR A 105 10.573 6.456 -9.659 1.00 0.00 H new ATOM 0 HG22 THR A 105 10.866 6.984 -7.985 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.509 5.424 -8.551 1.00 0.00 H new ATOM 1641 N LEU A 106 8.407 6.780 -5.443 1.00 0.00 N ATOM 1642 CA LEU A 106 8.454 7.922 -4.536 1.00 0.00 C ATOM 1643 C LEU A 106 9.007 7.484 -3.181 1.00 0.00 C ATOM 1644 O LEU A 106 9.777 8.221 -2.551 1.00 0.00 O ATOM 1645 CB LEU A 106 7.039 8.491 -4.371 1.00 0.00 C ATOM 1646 CG LEU A 106 6.924 9.553 -3.259 1.00 0.00 C ATOM 1647 CD1 LEU A 106 7.758 10.810 -3.528 1.00 0.00 C ATOM 1648 CD2 LEU A 106 5.464 9.951 -3.084 1.00 0.00 C ATOM 0 H LEU A 106 7.473 6.546 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 106 9.107 8.692 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.722 8.931 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.351 7.674 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 106 7.318 9.097 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.630 11.514 -2.706 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.810 10.538 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.428 11.274 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.383 10.702 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.084 10.363 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.878 9.074 -2.810 1.00 0.00 H new ATOM 1660 N LEU A 107 8.547 6.316 -2.733 1.00 0.00 N ATOM 1661 CA LEU A 107 8.910 5.704 -1.470 1.00 0.00 C ATOM 1662 C LEU A 107 10.345 5.199 -1.553 1.00 0.00 C ATOM 1663 O LEU A 107 11.158 5.591 -0.723 1.00 0.00 O ATOM 1664 CB LEU A 107 7.942 4.550 -1.168 1.00 0.00 C ATOM 1665 CG LEU A 107 6.497 4.998 -0.871 1.00 0.00 C ATOM 1666 CD1 LEU A 107 5.558 3.792 -0.931 1.00 0.00 C ATOM 1667 CD2 LEU A 107 6.370 5.692 0.493 1.00 0.00 C ATOM 0 H LEU A 107 7.885 5.753 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 107 8.842 6.434 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.931 3.868 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.319 3.989 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 107 6.218 5.726 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.538 4.114 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.600 3.347 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.866 3.054 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.334 5.989 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.679 5.005 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.008 6.576 0.512 1.00 0.00 H new ATOM 1679 N LEU A 108 10.652 4.387 -2.567 1.00 0.00 N ATOM 1680 CA LEU A 108 11.929 3.737 -2.802 1.00 0.00 C ATOM 1681 C LEU A 108 12.151 3.663 -4.315 1.00 0.00 C ATOM 1682 O LEU A 108 11.682 2.725 -4.958 1.00 0.00 O ATOM 1683 CB LEU A 108 11.909 2.324 -2.208 1.00 0.00 C ATOM 1684 CG LEU A 108 12.472 2.236 -0.792 1.00 0.00 C ATOM 1685 CD1 LEU A 108 11.959 0.974 -0.097 1.00 0.00 C ATOM 1686 CD2 LEU A 108 14.004 2.233 -0.829 1.00 0.00 C ATOM 0 H LEU A 108 9.968 4.156 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 108 12.734 4.300 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.882 1.958 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.481 1.660 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 108 12.138 3.107 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.368 0.923 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 108 10.871 1.003 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.273 0.095 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.392 2.170 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.352 1.375 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.358 3.152 -1.296 1.00 0.00 H new ATOM 1698 N PRO A 109 12.858 4.632 -4.908 1.00 0.00 N ATOM 1699 CA PRO A 109 13.195 4.596 -6.322 1.00 0.00 C ATOM 1700 C PRO A 109 14.086 3.390 -6.639 1.00 0.00 C ATOM 1701 O PRO A 109 13.994 2.834 -7.726 1.00 0.00 O ATOM 1702 CB PRO A 109 13.894 5.921 -6.638 1.00 0.00 C ATOM 1703 CG PRO A 109 13.757 6.770 -5.379 1.00 0.00 C ATOM 1704 CD PRO A 109 13.387 5.808 -4.257 1.00 0.00 C ATOM 0 HA PRO A 109 12.304 4.482 -6.940 1.00 0.00 H new ATOM 0 HB2 PRO A 109 14.942 5.760 -6.890 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.432 6.413 -7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 109 14.689 7.289 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 109 12.990 7.534 -5.506 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.258 5.561 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 109 12.648 6.251 -3.589 1.00 0.00 H new ATOM 1712 N ASP A 110 14.926 2.976 -5.686 1.00 0.00 N ATOM 1713 CA ASP A 110 15.782 1.799 -5.808 1.00 0.00 C ATOM 1714 C ASP A 110 14.958 0.515 -5.932 1.00 0.00 C ATOM 1715 O ASP A 110 15.328 -0.384 -6.682 1.00 0.00 O ATOM 1716 CB ASP A 110 16.681 1.683 -4.571 1.00 0.00 C ATOM 1717 CG ASP A 110 17.630 0.493 -4.714 1.00 0.00 C ATOM 1718 OD1 ASP A 110 18.629 0.597 -5.459 1.00 0.00 O ATOM 1719 OD2 ASP A 110 17.365 -0.569 -4.116 1.00 0.00 O ATOM 0 H ASP A 110 15.030 3.460 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 110 16.382 1.920 -6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 110 17.255 2.601 -4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.068 1.563 -3.678 1.00 0.00 H new ATOM 1724 N ALA A 111 13.844 0.413 -5.197 1.00 0.00 N ATOM 1725 CA ALA A 111 13.133 -0.852 -5.026 1.00 0.00 C ATOM 1726 C ALA A 111 12.201 -1.222 -6.182 1.00 0.00 C ATOM 1727 O ALA A 111 11.645 -2.321 -6.180 1.00 0.00 O ATOM 1728 CB ALA A 111 12.290 -0.743 -3.764 1.00 0.00 C ATOM 0 H ALA A 111 13.416 1.200 -4.709 1.00 0.00 H new ATOM 0 HA ALA A 111 13.892 -1.633 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.746 -1.674 -3.609 1.00 0.00 H new ATOM 0 HB2 ALA A 111 12.939 -0.555 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 111 11.581 0.078 -3.870 1.00 0.00 H new ATOM 1734 N VAL A 112 11.949 -0.318 -7.128 1.00 0.00 N ATOM 1735 CA VAL A 112 11.164 -0.653 -8.305 1.00 0.00 C ATOM 1736 C VAL A 112 12.129 -1.276 -9.328 1.00 0.00 C ATOM 1737 O VAL A 112 13.185 -0.693 -9.581 1.00 0.00 O ATOM 1738 CB VAL A 112 10.382 0.585 -8.778 1.00 0.00 C ATOM 1739 CG1 VAL A 112 11.248 1.831 -9.013 1.00 0.00 C ATOM 1740 CG2 VAL A 112 9.559 0.272 -10.029 1.00 0.00 C ATOM 0 H VAL A 112 12.278 0.647 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 112 10.388 -1.394 -8.113 1.00 0.00 H new ATOM 0 HB VAL A 112 9.716 0.831 -7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.617 2.656 -9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 112 11.748 2.107 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.995 1.616 -9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.017 1.165 -10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.224 -0.047 -10.831 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.849 -0.525 -9.807 1.00 0.00 H new ATOM 1750 N PRO A 113 11.842 -2.463 -9.893 1.00 0.00 N ATOM 1751 CA PRO A 113 12.773 -3.152 -10.776 1.00 0.00 C ATOM 1752 C PRO A 113 12.895 -2.399 -12.110 1.00 0.00 C ATOM 1753 O PRO A 113 12.030 -2.531 -12.980 1.00 0.00 O ATOM 1754 CB PRO A 113 12.240 -4.586 -10.887 1.00 0.00 C ATOM 1755 CG PRO A 113 10.741 -4.440 -10.641 1.00 0.00 C ATOM 1756 CD PRO A 113 10.677 -3.297 -9.630 1.00 0.00 C ATOM 0 HA PRO A 113 13.795 -3.184 -10.399 1.00 0.00 H new ATOM 0 HB2 PRO A 113 12.444 -5.013 -11.869 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.704 -5.243 -10.151 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.202 -4.201 -11.557 1.00 0.00 H new ATOM 0 HG3 PRO A 113 10.304 -5.357 -10.244 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.755 -2.727 -9.744 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.692 -3.678 -8.609 1.00 0.00 H new