USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 812 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 94 HIS : no HD1:sc= -0.382 X(o=-0.32,f=-0.16) USER MOD Set 1.2: A 98 LYS NZ :NH3+ -147:sc= 0.0609 (180deg=-1.1) USER MOD Set 2.1: A 65 LYS NZ :NH3+ -122:sc= -1.65 (180deg=-5.07!) USER MOD Set 2.2: A 67 TYR OH : rot 15:sc= 1.1 USER MOD Set 2.3: A 103 CYS SG : rot -108:sc= -3.8! USER MOD Set 2.4: A 104 GLN : amide:sc= -0.512 K(o=-4.9,f=-18!) USER MOD Set 3.1: A 58 THR OG1 : rot 140:sc= 0.275 USER MOD Set 3.2: A 60 GLN : amide:sc= 0.306 X(o=0.58,f=0.65) USER MOD Set 4.1: A 43 SER OG : rot 180:sc= 0.681 USER MOD Set 4.2: A 45 SER OG : rot -8:sc= 0.546 USER MOD Set 4.3: A 46 ASN : amide:sc= -9.31! C(o=-8.1!,f=-15!) USER MOD Set 5.1: A 33 ASN : amide:sc= -0.401 K(o=-0.23,f=-3.7!) USER MOD Set 5.2: A 110 CYS SG : rot 139:sc= 0.169 USER MOD Set 6.1: A 13 LYS NZ :NH3+ 140:sc= 0.994 (180deg=-0.216) USER MOD Set 6.2: A 27 GLN : amide:sc= 0.385 K(o=1.4,f=-1.6) USER MOD Single : A 18 THR OG1 : rot -48:sc= 0.58 USER MOD Single : A 20 SER OG : rot 180:sc=-0.00529 USER MOD Single : A 22 LYS NZ :NH3+ 136:sc= 0.0366 (180deg=-0.849) USER MOD Single : A 32 MET CE :methyl 178:sc= -0.575 (180deg=-0.577) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 0.83 (180deg=0.477) USER MOD Single : A 37 SER OG : rot -68:sc= 1.11 USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0112) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0661 USER MOD Single : A 53 SER OG : rot -170:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= -6! (180deg=-6.5!) USER MOD Single : A 59 THR OG1 : rot -23:sc= 0.469 USER MOD Single : A 66 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-3) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 159:sc= 0.188 USER MOD Single : A 74 ASN : amide:sc= -0.0198 K(o=-0.02,f=-3.7) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 89 GLN : amide:sc= -3.06 K(o=-3.1,f=-1.3) USER MOD Single : A 93 GLN : amide:sc= -0.93 K(o=-0.93,f=-1.5) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 SER OG : rot 65:sc= 1.26 USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= 0.208 (180deg=0.117) USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= 2.02 (180deg=1.78) USER MOD Single : A 107 THR OG1 : rot 170:sc= 0.0164 USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 -8.442 -1.697 -8.732 1.00 0.00 N ATOM 172 CA LYS A 13 -7.407 -2.106 -7.796 1.00 0.00 C ATOM 173 C LYS A 13 -6.106 -1.330 -7.998 1.00 0.00 C ATOM 174 O LYS A 13 -5.208 -1.522 -7.185 1.00 0.00 O ATOM 175 CB LYS A 13 -7.105 -3.597 -7.964 1.00 0.00 C ATOM 176 CG LYS A 13 -8.257 -4.496 -7.520 1.00 0.00 C ATOM 177 CD LYS A 13 -8.461 -4.578 -6.009 1.00 0.00 C ATOM 178 CE LYS A 13 -9.622 -5.525 -5.728 1.00 0.00 C ATOM 179 NZ LYS A 13 -9.878 -5.764 -4.318 1.00 0.00 N ATOM 0 HA LYS A 13 -7.787 -1.897 -6.796 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.877 -3.800 -9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.214 -3.848 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.178 -4.135 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.083 -5.501 -7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.554 -4.937 -5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.671 -3.589 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.525 -5.118 -6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.421 -6.480 -6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.904 -5.788 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.460 -6.675 -4.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.453 -5.001 -3.754 1.00 0.00 H new ATOM 193 N TRP A 14 -5.976 -0.462 -9.051 1.00 0.00 N ATOM 194 CA TRP A 14 -4.670 0.231 -9.123 1.00 0.00 C ATOM 195 C TRP A 14 -4.480 1.081 -7.869 1.00 0.00 C ATOM 196 O TRP A 14 -3.409 1.130 -7.282 1.00 0.00 O ATOM 197 CB TRP A 14 -4.306 0.968 -10.436 1.00 0.00 C ATOM 198 CG TRP A 14 -4.665 2.436 -10.655 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.483 2.892 -11.696 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.101 3.631 -10.047 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.430 4.246 -11.763 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.592 4.746 -10.774 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.244 3.853 -8.998 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.205 6.020 -10.426 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -2.871 5.149 -8.646 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.355 6.231 -9.359 1.00 0.00 C ATOM 0 H TRP A 14 -6.667 -0.250 -9.771 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.929 -0.568 -9.155 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.226 0.885 -10.556 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.762 0.406 -11.251 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.068 2.260 -12.348 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.934 4.816 -12.443 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.855 3.015 -8.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.570 6.863 -10.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.202 5.309 -7.814 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.069 7.235 -9.082 1.00 0.00 H new ATOM 217 N PHE A 15 -5.622 1.689 -7.486 1.00 0.00 N ATOM 218 CA PHE A 15 -5.667 2.535 -6.312 1.00 0.00 C ATOM 219 C PHE A 15 -6.494 1.874 -5.195 1.00 0.00 C ATOM 220 O PHE A 15 -7.544 1.285 -5.417 1.00 0.00 O ATOM 221 CB PHE A 15 -6.261 3.895 -6.706 1.00 0.00 C ATOM 222 CG PHE A 15 -5.877 4.963 -5.722 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.532 5.243 -5.498 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.845 5.675 -5.024 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.165 6.218 -4.586 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.476 6.658 -4.115 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.134 6.931 -3.896 1.00 0.00 C ATOM 0 H PHE A 15 -6.510 1.601 -7.979 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.658 2.680 -5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.913 4.172 -7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.347 3.819 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.772 4.698 -6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.891 5.463 -5.189 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.119 6.424 -4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.234 7.210 -3.579 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.845 7.696 -3.191 1.00 0.00 H new ATOM 237 N PHE A 16 -5.926 2.021 -3.983 1.00 0.00 N ATOM 238 CA PHE A 16 -6.527 1.529 -2.746 1.00 0.00 C ATOM 239 C PHE A 16 -6.084 2.488 -1.634 1.00 0.00 C ATOM 240 O PHE A 16 -5.123 3.231 -1.798 1.00 0.00 O ATOM 241 CB PHE A 16 -6.063 0.079 -2.410 1.00 0.00 C ATOM 242 CG PHE A 16 -7.153 -0.972 -2.417 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.477 -0.680 -2.086 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.833 -2.286 -2.756 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.455 -1.663 -2.127 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.813 -3.272 -2.812 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.127 -2.959 -2.492 1.00 0.00 C ATOM 0 H PHE A 16 -5.031 2.489 -3.842 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.612 1.494 -2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.296 -0.214 -3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.594 0.085 -1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.744 0.325 -1.794 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.808 -2.543 -2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.476 -1.417 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.552 -4.279 -3.104 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.890 -3.722 -2.527 1.00 0.00 H new ATOM 257 N ARG A 17 -6.837 2.442 -0.508 1.00 0.00 N ATOM 258 CA ARG A 17 -6.457 3.291 0.623 1.00 0.00 C ATOM 259 C ARG A 17 -5.092 2.842 1.145 1.00 0.00 C ATOM 260 O ARG A 17 -4.075 3.456 0.873 1.00 0.00 O ATOM 261 CB ARG A 17 -7.461 3.208 1.791 1.00 0.00 C ATOM 262 CG ARG A 17 -8.667 4.130 1.689 1.00 0.00 C ATOM 263 CD ARG A 17 -8.321 5.625 1.736 1.00 0.00 C ATOM 264 NE ARG A 17 -9.566 6.385 1.781 1.00 0.00 N ATOM 265 CZ ARG A 17 -9.645 7.686 2.131 1.00 0.00 C ATOM 266 NH1 ARG A 17 -8.561 8.384 2.446 1.00 0.00 N ATOM 267 NH2 ARG A 17 -10.829 8.279 2.160 1.00 0.00 N ATOM 0 H ARG A 17 -7.662 1.859 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.438 4.319 0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.817 2.181 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.932 3.432 2.717 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.194 3.919 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.355 3.902 2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.710 5.846 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.736 5.907 0.860 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.430 5.903 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.644 7.938 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.645 9.366 2.707 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.669 7.753 1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.901 9.262 2.423 1.00 0.00 H new ATOM 281 N THR A 18 -5.161 1.730 1.899 1.00 0.00 N ATOM 282 CA THR A 18 -3.990 1.132 2.507 1.00 0.00 C ATOM 283 C THR A 18 -4.331 -0.277 2.979 1.00 0.00 C ATOM 284 O THR A 18 -4.555 -0.537 4.156 1.00 0.00 O ATOM 285 CB THR A 18 -3.434 1.933 3.727 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.619 1.197 4.692 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.527 2.833 4.369 1.00 0.00 C ATOM 0 H THR A 18 -6.031 1.234 2.095 1.00 0.00 H new ATOM 0 HA THR A 18 -3.216 1.130 1.739 1.00 0.00 H new ATOM 0 HB THR A 18 -2.682 2.589 3.289 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.072 0.363 4.934 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.102 3.374 5.214 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.893 3.545 3.629 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.353 2.212 4.714 1.00 0.00 H new ATOM 295 N ILE A 19 -4.361 -1.166 1.971 1.00 0.00 N ATOM 296 CA ILE A 19 -4.589 -2.571 2.271 1.00 0.00 C ATOM 297 C ILE A 19 -3.225 -3.080 2.727 1.00 0.00 C ATOM 298 O ILE A 19 -2.199 -2.495 2.394 1.00 0.00 O ATOM 299 CB ILE A 19 -5.038 -3.318 1.002 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.915 -4.526 1.294 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.914 -3.684 0.031 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.299 -5.259 -0.004 1.00 0.00 C ATOM 0 H ILE A 19 -4.235 -0.941 0.984 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.366 -2.722 3.020 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.647 -2.576 0.486 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.388 -5.210 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.817 -4.207 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.332 -4.206 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.413 -2.776 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.195 -4.331 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.926 -6.118 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.848 -4.580 -0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.396 -5.599 -0.511 1.00 0.00 H new ATOM 314 N SER A 20 -3.242 -4.176 3.494 1.00 0.00 N ATOM 315 CA SER A 20 -1.929 -4.672 3.895 1.00 0.00 C ATOM 316 C SER A 20 -1.190 -5.167 2.645 1.00 0.00 C ATOM 317 O SER A 20 -1.778 -5.505 1.628 1.00 0.00 O ATOM 318 CB SER A 20 -2.009 -5.840 4.910 1.00 0.00 C ATOM 319 OG SER A 20 -0.934 -6.869 4.915 1.00 0.00 O ATOM 0 H SER A 20 -4.060 -4.690 3.821 1.00 0.00 H new ATOM 0 HA SER A 20 -1.405 -3.849 4.380 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.052 -5.405 5.909 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.956 -6.355 4.745 1.00 0.00 H new ATOM 0 HG SER A 20 -1.123 -7.536 5.608 1.00 0.00 H new ATOM 325 N ARG A 21 0.141 -5.183 2.790 1.00 0.00 N ATOM 326 CA ARG A 21 0.993 -5.622 1.694 1.00 0.00 C ATOM 327 C ARG A 21 0.603 -7.053 1.262 1.00 0.00 C ATOM 328 O ARG A 21 0.393 -7.298 0.084 1.00 0.00 O ATOM 329 CB ARG A 21 2.462 -5.490 2.103 1.00 0.00 C ATOM 330 CG ARG A 21 3.423 -5.474 0.906 1.00 0.00 C ATOM 331 CD ARG A 21 3.750 -4.074 0.357 1.00 0.00 C ATOM 332 NE ARG A 21 2.640 -3.500 -0.405 1.00 0.00 N ATOM 333 CZ ARG A 21 2.800 -2.739 -1.508 1.00 0.00 C ATOM 334 NH1 ARG A 21 4.003 -2.487 -2.002 1.00 0.00 N ATOM 335 NH2 ARG A 21 1.726 -2.260 -2.120 1.00 0.00 N ATOM 0 H ARG A 21 0.636 -4.903 3.637 1.00 0.00 H new ATOM 0 HA ARG A 21 0.849 -4.986 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.592 -4.573 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.725 -6.318 2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.354 -5.960 1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.991 -6.071 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.000 -3.411 1.185 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.632 -4.134 -0.280 1.00 0.00 H new ATOM 0 HE ARG A 21 1.690 -3.686 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.832 -2.871 -1.548 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.101 -1.909 -2.837 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.796 -2.468 -1.756 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.829 -1.683 -2.955 1.00 0.00 H new ATOM 349 N LYS A 22 0.454 -7.953 2.273 1.00 0.00 N ATOM 350 CA LYS A 22 0.057 -9.327 1.941 1.00 0.00 C ATOM 351 C LYS A 22 -1.306 -9.425 1.288 1.00 0.00 C ATOM 352 O LYS A 22 -1.589 -10.371 0.563 1.00 0.00 O ATOM 353 CB LYS A 22 0.158 -10.360 3.085 1.00 0.00 C ATOM 354 CG LYS A 22 -0.975 -10.599 4.124 1.00 0.00 C ATOM 355 CD LYS A 22 -2.421 -10.687 3.649 1.00 0.00 C ATOM 356 CE LYS A 22 -3.355 -11.304 4.696 1.00 0.00 C ATOM 357 NZ LYS A 22 -4.766 -11.088 4.386 1.00 0.00 N ATOM 0 H LYS A 22 0.596 -7.759 3.264 1.00 0.00 H new ATOM 0 HA LYS A 22 0.822 -9.601 1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.351 -11.323 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.049 -10.100 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.746 -11.526 4.649 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.920 -9.795 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.777 -9.688 3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.463 -11.281 2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.161 -12.374 4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.132 -10.877 5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.295 -11.970 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.146 -10.342 5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.863 -10.799 3.392 1.00 0.00 H new ATOM 371 N ASP A 23 -2.140 -8.409 1.594 1.00 0.00 N ATOM 372 CA ASP A 23 -3.484 -8.468 1.062 1.00 0.00 C ATOM 373 C ASP A 23 -3.466 -8.161 -0.432 1.00 0.00 C ATOM 374 O ASP A 23 -4.042 -8.849 -1.251 1.00 0.00 O ATOM 375 CB ASP A 23 -4.433 -7.498 1.789 1.00 0.00 C ATOM 376 CG ASP A 23 -5.042 -8.164 3.034 1.00 0.00 C ATOM 377 OD1 ASP A 23 -6.017 -8.899 2.881 1.00 0.00 O ATOM 378 OD2 ASP A 23 -4.544 -7.964 4.137 1.00 0.00 O ATOM 0 H ASP A 23 -1.914 -7.597 2.168 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.860 -9.478 1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.889 -6.599 2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.228 -7.184 1.113 1.00 0.00 H new ATOM 383 N ALA A 24 -2.743 -7.082 -0.723 1.00 0.00 N ATOM 384 CA ALA A 24 -2.552 -6.608 -2.090 1.00 0.00 C ATOM 385 C ALA A 24 -1.847 -7.679 -2.936 1.00 0.00 C ATOM 386 O ALA A 24 -2.093 -7.829 -4.126 1.00 0.00 O ATOM 387 CB ALA A 24 -1.755 -5.317 -1.992 1.00 0.00 C ATOM 0 H ALA A 24 -2.274 -6.513 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.501 -6.416 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.584 -4.918 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.312 -4.589 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.797 -5.516 -1.512 1.00 0.00 H new ATOM 393 N GLU A 25 -0.981 -8.428 -2.222 1.00 0.00 N ATOM 394 CA GLU A 25 -0.271 -9.525 -2.840 1.00 0.00 C ATOM 395 C GLU A 25 -1.274 -10.647 -3.150 1.00 0.00 C ATOM 396 O GLU A 25 -1.175 -11.284 -4.184 1.00 0.00 O ATOM 397 CB GLU A 25 0.820 -10.078 -1.905 1.00 0.00 C ATOM 398 CG GLU A 25 2.054 -9.174 -1.757 1.00 0.00 C ATOM 399 CD GLU A 25 2.992 -9.710 -0.659 1.00 0.00 C ATOM 400 OE1 GLU A 25 3.627 -10.739 -0.885 1.00 0.00 O ATOM 401 OE2 GLU A 25 3.088 -9.088 0.399 1.00 0.00 O ATOM 0 H GLU A 25 -0.771 -8.283 -1.234 1.00 0.00 H new ATOM 0 HA GLU A 25 0.205 -9.163 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.386 -10.242 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.141 -11.051 -2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.589 -9.122 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.741 -8.159 -1.511 1.00 0.00 H new ATOM 408 N ARG A 26 -2.262 -10.830 -2.239 1.00 0.00 N ATOM 409 CA ARG A 26 -3.241 -11.902 -2.428 1.00 0.00 C ATOM 410 C ARG A 26 -4.069 -11.639 -3.708 1.00 0.00 C ATOM 411 O ARG A 26 -4.462 -12.545 -4.432 1.00 0.00 O ATOM 412 CB ARG A 26 -4.183 -12.034 -1.197 1.00 0.00 C ATOM 413 CG ARG A 26 -5.512 -11.235 -1.173 1.00 0.00 C ATOM 414 CD ARG A 26 -5.954 -10.743 0.215 1.00 0.00 C ATOM 415 NE ARG A 26 -7.362 -11.044 0.461 1.00 0.00 N ATOM 416 CZ ARG A 26 -7.804 -12.306 0.659 1.00 0.00 C ATOM 417 NH1 ARG A 26 -6.969 -13.336 0.602 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.089 -12.517 0.909 1.00 0.00 N ATOM 0 H ARG A 26 -2.392 -10.266 -1.399 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.699 -12.841 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.432 -13.089 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.612 -11.747 -0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.411 -10.372 -1.832 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.302 -11.862 -1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.340 -11.214 0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.791 -9.668 0.291 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.034 -10.277 0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.980 -13.181 0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.316 -14.283 0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.736 -11.730 0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.430 -13.466 1.059 1.00 0.00 H new ATOM 432 N GLN A 27 -4.266 -10.316 -3.923 1.00 0.00 N ATOM 433 CA GLN A 27 -5.055 -9.817 -5.043 1.00 0.00 C ATOM 434 C GLN A 27 -4.396 -10.073 -6.401 1.00 0.00 C ATOM 435 O GLN A 27 -5.029 -10.549 -7.335 1.00 0.00 O ATOM 436 CB GLN A 27 -5.349 -8.317 -4.899 1.00 0.00 C ATOM 437 CG GLN A 27 -6.159 -8.016 -3.639 1.00 0.00 C ATOM 438 CD GLN A 27 -7.610 -8.503 -3.715 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.349 -8.192 -4.637 1.00 0.00 O ATOM 440 NE2 GLN A 27 -7.970 -9.277 -2.678 1.00 0.00 N ATOM 0 H GLN A 27 -3.882 -9.584 -3.325 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.990 -10.377 -5.013 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.410 -7.764 -4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.896 -7.968 -5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.672 -8.483 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.154 -6.941 -3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.295 -9.493 -1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.918 -9.648 -2.624 1.00 0.00 H new ATOM 449 N LEU A 28 -3.088 -9.729 -6.441 1.00 0.00 N ATOM 450 CA LEU A 28 -2.347 -9.876 -7.686 1.00 0.00 C ATOM 451 C LEU A 28 -1.978 -11.339 -7.968 1.00 0.00 C ATOM 452 O LEU A 28 -2.022 -11.772 -9.111 1.00 0.00 O ATOM 453 CB LEU A 28 -1.188 -8.881 -7.721 1.00 0.00 C ATOM 454 CG LEU A 28 -1.713 -7.455 -7.567 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.552 -6.480 -7.401 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.638 -7.073 -8.735 1.00 0.00 C ATOM 0 H LEU A 28 -2.553 -9.363 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.985 -9.614 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.482 -9.105 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.645 -8.977 -8.661 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.319 -7.400 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.940 -5.467 -7.292 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.022 -6.746 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.093 -6.529 -8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.996 -6.053 -8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.087 -7.141 -9.673 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.488 -7.755 -8.764 1.00 0.00 H new ATOM 468 N LEU A 29 -1.662 -12.079 -6.873 1.00 0.00 N ATOM 469 CA LEU A 29 -1.328 -13.497 -6.950 1.00 0.00 C ATOM 470 C LEU A 29 -2.527 -14.299 -7.498 1.00 0.00 C ATOM 471 O LEU A 29 -2.354 -15.415 -7.972 1.00 0.00 O ATOM 472 CB LEU A 29 -0.957 -14.027 -5.550 1.00 0.00 C ATOM 473 CG LEU A 29 0.449 -13.609 -5.079 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.542 -13.677 -3.553 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.521 -14.523 -5.696 1.00 0.00 C ATOM 0 H LEU A 29 -1.636 -11.699 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.478 -13.618 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.693 -13.669 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.020 -15.115 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 29 0.623 -12.584 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.541 -13.379 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.194 -13.004 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.345 -14.697 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.507 -14.212 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.339 -15.554 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.478 -14.452 -6.783 1.00 0.00 H new ATOM 487 N ALA A 30 -3.735 -13.686 -7.412 1.00 0.00 N ATOM 488 CA ALA A 30 -4.924 -14.347 -7.923 1.00 0.00 C ATOM 489 C ALA A 30 -4.794 -14.565 -9.452 1.00 0.00 C ATOM 490 O ALA A 30 -4.259 -13.725 -10.166 1.00 0.00 O ATOM 491 CB ALA A 30 -6.153 -13.478 -7.638 1.00 0.00 C ATOM 0 H ALA A 30 -3.892 -12.764 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.033 -15.313 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.045 -13.973 -8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.253 -13.331 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.036 -12.511 -8.127 1.00 0.00 H new ATOM 497 N PRO A 31 -5.334 -15.725 -9.931 1.00 0.00 N ATOM 498 CA PRO A 31 -5.295 -16.096 -11.349 1.00 0.00 C ATOM 499 C PRO A 31 -6.182 -15.241 -12.281 1.00 0.00 C ATOM 500 O PRO A 31 -6.299 -15.507 -13.472 1.00 0.00 O ATOM 501 CB PRO A 31 -5.750 -17.562 -11.359 1.00 0.00 C ATOM 502 CG PRO A 31 -6.593 -17.705 -10.094 1.00 0.00 C ATOM 503 CD PRO A 31 -5.965 -16.743 -9.099 1.00 0.00 C ATOM 0 HA PRO A 31 -4.294 -15.930 -11.748 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.331 -17.792 -12.252 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.899 -18.243 -11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.636 -17.453 -10.283 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.575 -18.729 -9.720 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.715 -16.308 -8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.235 -17.247 -8.465 1.00 0.00 H new ATOM 511 N MET A 32 -6.801 -14.213 -11.667 1.00 0.00 N ATOM 512 CA MET A 32 -7.668 -13.283 -12.353 1.00 0.00 C ATOM 513 C MET A 32 -6.913 -12.448 -13.403 1.00 0.00 C ATOM 514 O MET A 32 -7.400 -12.214 -14.503 1.00 0.00 O ATOM 515 CB MET A 32 -8.238 -12.382 -11.257 1.00 0.00 C ATOM 516 CG MET A 32 -9.520 -12.939 -10.649 1.00 0.00 C ATOM 517 SD MET A 32 -9.191 -14.323 -9.545 1.00 0.00 S ATOM 518 CE MET A 32 -9.601 -13.490 -8.004 1.00 0.00 C ATOM 0 H MET A 32 -6.701 -14.018 -10.671 1.00 0.00 H new ATOM 0 HA MET A 32 -8.445 -13.811 -12.905 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.493 -12.255 -10.472 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.436 -11.393 -11.671 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.034 -12.150 -10.100 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.190 -13.261 -11.446 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.499 -14.189 -7.174 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.925 -12.648 -7.855 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.628 -13.127 -8.048 1.00 0.00 H new ATOM 528 N ASN A 33 -5.707 -12.016 -12.973 1.00 0.00 N ATOM 529 CA ASN A 33 -4.838 -11.192 -13.815 1.00 0.00 C ATOM 530 C ASN A 33 -3.402 -11.767 -13.840 1.00 0.00 C ATOM 531 O ASN A 33 -3.162 -12.911 -13.477 1.00 0.00 O ATOM 532 CB ASN A 33 -4.882 -9.730 -13.326 1.00 0.00 C ATOM 533 CG ASN A 33 -6.320 -9.197 -13.206 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.948 -9.282 -12.159 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.797 -8.636 -14.326 1.00 0.00 N ATOM 0 H ASN A 33 -5.323 -12.227 -12.052 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.197 -11.208 -14.844 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.388 -9.659 -12.357 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.320 -9.101 -14.017 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.739 -8.246 -14.340 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.218 -8.599 -15.165 1.00 0.00 H new ATOM 542 N LYS A 34 -2.475 -10.902 -14.302 1.00 0.00 N ATOM 543 CA LYS A 34 -1.067 -11.273 -14.420 1.00 0.00 C ATOM 544 C LYS A 34 -0.194 -10.008 -14.408 1.00 0.00 C ATOM 545 O LYS A 34 -0.718 -8.905 -14.414 1.00 0.00 O ATOM 546 CB LYS A 34 -0.866 -12.159 -15.663 1.00 0.00 C ATOM 547 CG LYS A 34 -1.509 -11.627 -16.955 1.00 0.00 C ATOM 548 CD LYS A 34 -0.819 -10.384 -17.518 1.00 0.00 C ATOM 549 CE LYS A 34 0.597 -10.674 -18.029 1.00 0.00 C ATOM 550 NZ LYS A 34 1.181 -9.533 -18.720 1.00 0.00 N ATOM 0 H LYS A 34 -2.684 -9.948 -14.596 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.751 -11.870 -13.564 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.204 -12.283 -15.832 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.272 -13.149 -15.454 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.493 -12.414 -17.709 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.556 -11.394 -16.760 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.419 -9.978 -18.333 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.772 -9.618 -16.744 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.234 -10.952 -17.189 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.569 -11.529 -18.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.023 -9.840 -19.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.485 -9.134 -19.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.453 -8.808 -18.025 1.00 0.00 H new ATOM 564 N ALA A 35 1.147 -10.227 -14.403 1.00 0.00 N ATOM 565 CA ALA A 35 2.170 -9.172 -14.406 1.00 0.00 C ATOM 566 C ALA A 35 1.711 -7.917 -15.177 1.00 0.00 C ATOM 567 O ALA A 35 1.557 -7.927 -16.393 1.00 0.00 O ATOM 568 CB ALA A 35 3.468 -9.726 -15.002 1.00 0.00 C ATOM 0 H ALA A 35 1.546 -11.166 -14.397 1.00 0.00 H new ATOM 0 HA ALA A 35 2.340 -8.863 -13.375 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.229 -8.946 -15.006 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.814 -10.567 -14.402 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.286 -10.060 -16.024 1.00 0.00 H new ATOM 574 N GLY A 36 1.498 -6.859 -14.362 1.00 0.00 N ATOM 575 CA GLY A 36 1.025 -5.565 -14.830 1.00 0.00 C ATOM 576 C GLY A 36 -0.199 -5.106 -14.026 1.00 0.00 C ATOM 577 O GLY A 36 -0.474 -3.924 -13.865 1.00 0.00 O ATOM 0 H GLY A 36 1.655 -6.894 -13.355 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.822 -4.827 -14.739 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.768 -5.628 -15.887 1.00 0.00 H new ATOM 581 N SER A 37 -0.930 -6.118 -13.524 1.00 0.00 N ATOM 582 CA SER A 37 -2.038 -5.854 -12.617 1.00 0.00 C ATOM 583 C SER A 37 -1.330 -5.433 -11.312 1.00 0.00 C ATOM 584 O SER A 37 -0.505 -6.175 -10.779 1.00 0.00 O ATOM 585 CB SER A 37 -2.867 -7.156 -12.393 1.00 0.00 C ATOM 586 OG SER A 37 -2.144 -8.436 -12.220 1.00 0.00 O ATOM 0 H SER A 37 -0.771 -7.104 -13.732 1.00 0.00 H new ATOM 0 HA SER A 37 -2.734 -5.102 -12.988 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.488 -7.005 -11.510 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.541 -7.269 -13.242 1.00 0.00 H new ATOM 0 HG SER A 37 -1.704 -8.679 -13.061 1.00 0.00 H new ATOM 592 N PHE A 38 -1.658 -4.187 -10.888 1.00 0.00 N ATOM 593 CA PHE A 38 -1.035 -3.589 -9.704 1.00 0.00 C ATOM 594 C PHE A 38 -2.111 -3.220 -8.635 1.00 0.00 C ATOM 595 O PHE A 38 -3.316 -3.311 -8.834 1.00 0.00 O ATOM 596 CB PHE A 38 -0.305 -2.273 -10.113 1.00 0.00 C ATOM 597 CG PHE A 38 1.026 -2.331 -10.836 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.425 -3.350 -11.685 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.920 -1.282 -10.645 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.658 -3.297 -12.330 1.00 0.00 C ATOM 601 CE2 PHE A 38 3.175 -1.255 -11.231 1.00 0.00 C ATOM 602 CZ PHE A 38 3.547 -2.264 -12.099 1.00 0.00 C ATOM 0 H PHE A 38 -2.344 -3.590 -11.350 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.337 -4.315 -9.288 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.990 -1.706 -10.743 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.153 -1.692 -9.203 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.773 -4.195 -11.849 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.624 -0.456 -10.015 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.925 -4.079 -13.025 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.859 -0.449 -11.011 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.511 -2.246 -12.586 1.00 0.00 H new ATOM 612 N LEU A 39 -1.500 -2.782 -7.506 1.00 0.00 N ATOM 613 CA LEU A 39 -2.001 -2.303 -6.213 1.00 0.00 C ATOM 614 C LEU A 39 -1.118 -1.177 -5.695 1.00 0.00 C ATOM 615 O LEU A 39 0.065 -1.429 -5.552 1.00 0.00 O ATOM 616 CB LEU A 39 -1.789 -3.396 -5.146 1.00 0.00 C ATOM 617 CG LEU A 39 -2.905 -4.387 -4.907 1.00 0.00 C ATOM 618 CD1 LEU A 39 -3.801 -3.676 -3.908 1.00 0.00 C ATOM 619 CD2 LEU A 39 -3.717 -4.826 -6.097 1.00 0.00 C ATOM 0 H LEU A 39 -0.480 -2.758 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.041 -2.013 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.897 -3.959 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.576 -2.900 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.463 -5.328 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.651 -4.313 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.236 -3.461 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.161 -2.743 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.479 -5.536 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.197 -3.958 -6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.063 -5.302 -6.828 1.00 0.00 H new ATOM 631 N ILE A 40 -1.686 0.009 -5.342 1.00 0.00 N ATOM 632 CA ILE A 40 -0.778 1.041 -4.816 1.00 0.00 C ATOM 633 C ILE A 40 -1.420 1.363 -3.415 1.00 0.00 C ATOM 634 O ILE A 40 -2.288 2.213 -3.265 1.00 0.00 O ATOM 635 CB ILE A 40 -0.686 2.170 -5.895 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.667 2.900 -5.971 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.644 3.303 -5.598 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.952 3.353 -7.426 1.00 0.00 C ATOM 0 H ILE A 40 -2.674 0.253 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 40 0.270 0.797 -4.645 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.891 1.620 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.659 3.765 -5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.464 2.241 -5.625 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.552 4.069 -6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.665 2.922 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.406 3.736 -4.626 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.912 3.868 -7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.981 2.481 -8.079 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.164 4.029 -7.758 1.00 0.00 H new ATOM 650 N ARG A 41 -1.008 0.571 -2.399 1.00 0.00 N ATOM 651 CA ARG A 41 -1.541 0.712 -1.044 1.00 0.00 C ATOM 652 C ARG A 41 -0.752 1.789 -0.284 1.00 0.00 C ATOM 653 O ARG A 41 0.458 1.867 -0.441 1.00 0.00 O ATOM 654 CB ARG A 41 -1.500 -0.682 -0.390 1.00 0.00 C ATOM 655 CG ARG A 41 -0.192 -1.113 0.306 1.00 0.00 C ATOM 656 CD ARG A 41 -0.022 -0.480 1.693 1.00 0.00 C ATOM 657 NE ARG A 41 0.690 -1.365 2.612 1.00 0.00 N ATOM 658 CZ ARG A 41 0.609 -1.193 3.951 1.00 0.00 C ATOM 659 NH1 ARG A 41 -0.174 -0.266 4.485 1.00 0.00 N ATOM 660 NH2 ARG A 41 1.325 -1.953 4.764 1.00 0.00 N ATOM 0 H ARG A 41 -0.311 -0.166 -2.501 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.575 1.055 -1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.302 -0.730 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.729 -1.420 -1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.178 -2.199 0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.656 -0.837 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.522 0.460 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.002 -0.241 2.106 1.00 0.00 H new ATOM 0 HE ARG A 41 1.258 -2.125 2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.733 0.338 3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.217 -0.157 5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.940 -2.671 4.381 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.262 -1.821 5.773 1.00 0.00 H new ATOM 674 N GLU A 42 -1.466 2.599 0.541 1.00 0.00 N ATOM 675 CA GLU A 42 -0.749 3.653 1.266 1.00 0.00 C ATOM 676 C GLU A 42 -0.083 3.116 2.531 1.00 0.00 C ATOM 677 O GLU A 42 -0.444 2.082 3.072 1.00 0.00 O ATOM 678 CB GLU A 42 -1.555 4.932 1.624 1.00 0.00 C ATOM 679 CG GLU A 42 -2.307 5.033 2.966 1.00 0.00 C ATOM 680 CD GLU A 42 -2.530 6.495 3.381 1.00 0.00 C ATOM 681 OE1 GLU A 42 -3.199 7.222 2.645 1.00 0.00 O ATOM 682 OE2 GLU A 42 -2.043 6.888 4.440 1.00 0.00 O ATOM 0 H GLU A 42 -2.471 2.544 0.708 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.008 3.973 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.862 5.772 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.289 5.082 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.269 4.527 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.740 4.517 3.741 1.00 0.00 H new ATOM 689 N SER A 43 0.926 3.895 2.940 1.00 0.00 N ATOM 690 CA SER A 43 1.612 3.627 4.184 1.00 0.00 C ATOM 691 C SER A 43 0.752 4.344 5.226 1.00 0.00 C ATOM 692 O SER A 43 0.830 5.559 5.357 1.00 0.00 O ATOM 693 CB SER A 43 3.003 4.327 4.207 1.00 0.00 C ATOM 694 OG SER A 43 3.541 4.764 5.521 1.00 0.00 O ATOM 0 H SER A 43 1.274 4.704 2.426 1.00 0.00 H new ATOM 0 HA SER A 43 1.751 2.558 4.343 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.727 3.646 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.947 5.203 3.561 1.00 0.00 H new ATOM 0 HG SER A 43 4.417 5.185 5.392 1.00 0.00 H new ATOM 700 N GLU A 44 -0.066 3.569 5.961 1.00 0.00 N ATOM 701 CA GLU A 44 -0.941 4.236 6.917 1.00 0.00 C ATOM 702 C GLU A 44 -0.185 5.007 8.034 1.00 0.00 C ATOM 703 O GLU A 44 -0.769 5.822 8.734 1.00 0.00 O ATOM 704 CB GLU A 44 -1.998 3.291 7.506 1.00 0.00 C ATOM 705 CG GLU A 44 -1.478 2.073 8.283 1.00 0.00 C ATOM 706 CD GLU A 44 -0.934 0.919 7.418 1.00 0.00 C ATOM 707 OE1 GLU A 44 -1.715 0.055 7.020 1.00 0.00 O ATOM 708 OE2 GLU A 44 0.272 0.876 7.168 1.00 0.00 O ATOM 0 H GLU A 44 -0.135 2.552 5.915 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.463 4.992 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.639 3.870 8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.625 2.932 6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.687 2.404 8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.286 1.688 8.905 1.00 0.00 H new ATOM 715 N SER A 45 1.130 4.721 8.148 1.00 0.00 N ATOM 716 CA SER A 45 1.970 5.350 9.161 1.00 0.00 C ATOM 717 C SER A 45 2.503 6.747 8.762 1.00 0.00 C ATOM 718 O SER A 45 2.982 7.457 9.639 1.00 0.00 O ATOM 719 CB SER A 45 3.167 4.399 9.431 1.00 0.00 C ATOM 720 OG SER A 45 4.072 4.031 8.313 1.00 0.00 O ATOM 0 H SER A 45 1.621 4.059 7.547 1.00 0.00 H new ATOM 0 HA SER A 45 1.356 5.511 10.047 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.778 4.855 10.210 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.763 3.474 9.843 1.00 0.00 H new ATOM 0 HG SER A 45 3.698 4.358 7.468 1.00 0.00 H new ATOM 726 N ASN A 46 2.432 7.139 7.460 1.00 0.00 N ATOM 727 CA ASN A 46 2.945 8.457 7.085 1.00 0.00 C ATOM 728 C ASN A 46 1.785 9.315 6.472 1.00 0.00 C ATOM 729 O ASN A 46 0.638 8.899 6.391 1.00 0.00 O ATOM 730 CB ASN A 46 4.058 8.298 6.012 1.00 0.00 C ATOM 731 CG ASN A 46 3.526 8.347 4.618 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.782 9.337 3.950 1.00 0.00 O ATOM 733 ND2 ASN A 46 2.712 7.349 4.276 1.00 0.00 N ATOM 0 H ASN A 46 2.043 6.584 6.698 1.00 0.00 H new ATOM 0 HA ASN A 46 3.347 8.947 7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.798 9.088 6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.573 7.350 6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.232 7.368 3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.569 6.566 4.914 1.00 0.00 H new ATOM 740 N LYS A 47 2.221 10.520 6.033 1.00 0.00 N ATOM 741 CA LYS A 47 1.416 11.510 5.332 1.00 0.00 C ATOM 742 C LYS A 47 1.621 11.547 3.787 1.00 0.00 C ATOM 743 O LYS A 47 2.299 12.438 3.289 1.00 0.00 O ATOM 744 CB LYS A 47 1.587 12.883 5.980 1.00 0.00 C ATOM 745 CG LYS A 47 3.058 13.215 6.166 1.00 0.00 C ATOM 746 CD LYS A 47 3.539 12.843 7.575 1.00 0.00 C ATOM 747 CE LYS A 47 4.889 12.137 7.559 1.00 0.00 C ATOM 748 NZ LYS A 47 5.957 12.950 6.988 1.00 0.00 N ATOM 0 H LYS A 47 3.184 10.827 6.170 1.00 0.00 H new ATOM 0 HA LYS A 47 0.379 11.194 5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.114 13.644 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.081 12.899 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.651 12.680 5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.217 14.279 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.611 13.746 8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.800 12.198 8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.158 11.859 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.801 11.212 6.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.858 12.434 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.744 13.152 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.032 13.844 7.514 1.00 0.00 H new ATOM 762 N GLY A 48 1.012 10.579 3.054 1.00 0.00 N ATOM 763 CA GLY A 48 1.099 10.600 1.578 1.00 0.00 C ATOM 764 C GLY A 48 2.015 9.575 0.879 1.00 0.00 C ATOM 765 O GLY A 48 2.055 9.513 -0.342 1.00 0.00 O ATOM 0 H GLY A 48 0.476 9.804 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.091 10.466 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.428 11.596 1.280 1.00 0.00 H new ATOM 769 N ALA A 49 2.743 8.790 1.687 1.00 0.00 N ATOM 770 CA ALA A 49 3.657 7.762 1.146 1.00 0.00 C ATOM 771 C ALA A 49 2.818 6.534 0.793 1.00 0.00 C ATOM 772 O ALA A 49 1.956 6.147 1.567 1.00 0.00 O ATOM 773 CB ALA A 49 4.824 7.336 2.098 1.00 0.00 C ATOM 0 H ALA A 49 2.721 8.842 2.705 1.00 0.00 H new ATOM 0 HA ALA A 49 4.148 8.205 0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.436 6.579 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.440 8.205 2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.411 6.927 3.020 1.00 0.00 H new ATOM 779 N PHE A 50 3.073 5.979 -0.404 1.00 0.00 N ATOM 780 CA PHE A 50 2.355 4.799 -0.861 1.00 0.00 C ATOM 781 C PHE A 50 3.369 3.649 -1.039 1.00 0.00 C ATOM 782 O PHE A 50 4.526 3.750 -0.651 1.00 0.00 O ATOM 783 CB PHE A 50 1.474 5.155 -2.094 1.00 0.00 C ATOM 784 CG PHE A 50 0.105 5.686 -1.753 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.054 6.924 -1.143 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.028 4.961 -2.088 1.00 0.00 C ATOM 787 CE1 PHE A 50 -1.317 7.442 -0.896 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.297 5.469 -1.847 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.443 6.717 -1.256 1.00 0.00 C ATOM 0 H PHE A 50 3.768 6.333 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 50 1.634 4.435 -0.129 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.998 5.897 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.361 4.265 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.819 7.492 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.922 3.987 -2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.423 8.408 -0.424 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.170 4.894 -2.119 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.429 7.121 -1.078 1.00 0.00 H new ATOM 799 N SER A 51 2.858 2.550 -1.629 1.00 0.00 N ATOM 800 CA SER A 51 3.650 1.349 -1.881 1.00 0.00 C ATOM 801 C SER A 51 2.938 0.541 -2.965 1.00 0.00 C ATOM 802 O SER A 51 1.723 0.443 -2.942 1.00 0.00 O ATOM 803 CB SER A 51 3.798 0.567 -0.539 1.00 0.00 C ATOM 804 OG SER A 51 4.111 1.306 0.710 1.00 0.00 O ATOM 0 H SER A 51 1.889 2.479 -1.939 1.00 0.00 H new ATOM 0 HA SER A 51 4.655 1.577 -2.237 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.867 0.025 -0.373 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.580 -0.179 -0.681 1.00 0.00 H new ATOM 0 HG SER A 51 4.169 0.675 1.458 1.00 0.00 H new ATOM 810 N LEU A 52 3.726 -0.048 -3.890 1.00 0.00 N ATOM 811 CA LEU A 52 3.133 -0.753 -5.033 1.00 0.00 C ATOM 812 C LEU A 52 3.582 -2.225 -5.150 1.00 0.00 C ATOM 813 O LEU A 52 4.750 -2.568 -5.030 1.00 0.00 O ATOM 814 CB LEU A 52 3.637 0.116 -6.212 1.00 0.00 C ATOM 815 CG LEU A 52 3.040 -0.060 -7.613 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.516 -0.069 -7.561 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.565 1.070 -8.525 1.00 0.00 C ATOM 0 H LEU A 52 4.746 -0.048 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 52 2.049 -0.846 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.493 1.159 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.712 -0.046 -6.296 1.00 0.00 H new ATOM 0 HG LEU A 52 3.349 -1.022 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.118 -0.195 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.178 -0.892 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.161 0.874 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.147 0.955 -9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.267 2.036 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.652 1.019 -8.579 1.00 0.00 H new ATOM 829 N SER A 53 2.538 -3.054 -5.379 1.00 0.00 N ATOM 830 CA SER A 53 2.633 -4.499 -5.562 1.00 0.00 C ATOM 831 C SER A 53 2.307 -4.774 -7.032 1.00 0.00 C ATOM 832 O SER A 53 1.413 -4.166 -7.603 1.00 0.00 O ATOM 833 CB SER A 53 1.618 -5.264 -4.654 1.00 0.00 C ATOM 834 OG SER A 53 1.580 -5.103 -3.182 1.00 0.00 O ATOM 0 H SER A 53 1.579 -2.712 -5.441 1.00 0.00 H new ATOM 0 HA SER A 53 3.630 -4.844 -5.289 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.623 -5.012 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.769 -6.326 -4.846 1.00 0.00 H new ATOM 0 HG SER A 53 0.987 -5.780 -2.794 1.00 0.00 H new ATOM 840 N VAL A 54 3.099 -5.708 -7.597 1.00 0.00 N ATOM 841 CA VAL A 54 2.925 -6.112 -9.000 1.00 0.00 C ATOM 842 C VAL A 54 3.147 -7.617 -9.054 1.00 0.00 C ATOM 843 O VAL A 54 3.906 -8.133 -8.258 1.00 0.00 O ATOM 844 CB VAL A 54 3.929 -5.424 -9.934 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.721 -5.821 -11.405 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.994 -3.931 -9.620 1.00 0.00 C ATOM 0 H VAL A 54 3.854 -6.189 -7.108 1.00 0.00 H new ATOM 0 HA VAL A 54 1.929 -5.824 -9.336 1.00 0.00 H new ATOM 0 HB VAL A 54 4.938 -5.790 -9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.455 -5.309 -12.027 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.844 -6.899 -11.512 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.717 -5.537 -11.720 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.709 -3.450 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.009 -3.486 -9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.311 -3.790 -8.587 1.00 0.00 H new ATOM 856 N LYS A 55 2.493 -8.306 -10.002 1.00 0.00 N ATOM 857 CA LYS A 55 2.696 -9.758 -10.045 1.00 0.00 C ATOM 858 C LYS A 55 4.010 -10.180 -10.780 1.00 0.00 C ATOM 859 O LYS A 55 4.052 -10.115 -12.002 1.00 0.00 O ATOM 860 CB LYS A 55 1.450 -10.254 -10.776 1.00 0.00 C ATOM 861 CG LYS A 55 1.266 -11.741 -11.074 1.00 0.00 C ATOM 862 CD LYS A 55 0.961 -12.625 -9.865 1.00 0.00 C ATOM 863 CE LYS A 55 2.210 -13.025 -9.103 1.00 0.00 C ATOM 864 NZ LYS A 55 3.197 -13.665 -9.957 1.00 0.00 N ATOM 0 H LYS A 55 1.863 -7.915 -10.702 1.00 0.00 H new ATOM 0 HA LYS A 55 2.819 -10.186 -9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.586 -9.933 -10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.405 -9.727 -11.729 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.456 -11.851 -11.795 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.172 -12.112 -11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.285 -12.095 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.441 -13.523 -10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.650 -12.141 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.938 -13.704 -8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.879 -14.185 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.721 -14.327 -10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.698 -12.941 -10.511 1.00 0.00 H new ATOM 878 N ASP A 56 5.079 -10.605 -10.029 1.00 0.00 N ATOM 879 CA ASP A 56 6.283 -11.086 -10.736 1.00 0.00 C ATOM 880 C ASP A 56 6.070 -12.537 -11.207 1.00 0.00 C ATOM 881 O ASP A 56 5.949 -13.464 -10.416 1.00 0.00 O ATOM 882 CB ASP A 56 7.610 -10.994 -9.937 1.00 0.00 C ATOM 883 CG ASP A 56 8.696 -10.149 -10.633 1.00 0.00 C ATOM 884 OD1 ASP A 56 8.767 -10.159 -11.862 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.462 -9.493 -9.934 1.00 0.00 O ATOM 0 H ASP A 56 5.122 -10.621 -9.010 1.00 0.00 H new ATOM 0 HA ASP A 56 6.403 -10.404 -11.578 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.404 -10.567 -8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.995 -12.000 -9.773 1.00 0.00 H new ATOM 890 N ILE A 57 6.031 -12.665 -12.552 1.00 0.00 N ATOM 891 CA ILE A 57 5.872 -13.977 -13.186 1.00 0.00 C ATOM 892 C ILE A 57 7.223 -14.370 -13.804 1.00 0.00 C ATOM 893 O ILE A 57 7.460 -14.359 -15.004 1.00 0.00 O ATOM 894 CB ILE A 57 4.680 -13.973 -14.157 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.437 -13.435 -13.423 1.00 0.00 C ATOM 896 CG2 ILE A 57 4.426 -15.384 -14.712 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.107 -13.650 -14.132 1.00 0.00 C ATOM 0 H ILE A 57 6.107 -11.884 -13.204 1.00 0.00 H new ATOM 0 HA ILE A 57 5.616 -14.750 -12.462 1.00 0.00 H new ATOM 0 HB ILE A 57 4.903 -13.325 -15.005 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.385 -13.906 -12.442 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.570 -12.366 -13.257 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.578 -15.358 -15.397 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.312 -15.731 -15.244 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.207 -16.065 -13.889 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.301 -13.233 -13.528 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.127 -13.153 -15.102 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.939 -14.718 -14.274 1.00 0.00 H new ATOM 909 N THR A 58 8.067 -14.700 -12.810 1.00 0.00 N ATOM 910 CA THR A 58 9.460 -15.100 -12.946 1.00 0.00 C ATOM 911 C THR A 58 9.586 -16.626 -12.883 1.00 0.00 C ATOM 912 O THR A 58 8.652 -17.325 -12.509 1.00 0.00 O ATOM 913 CB THR A 58 10.259 -14.485 -11.754 1.00 0.00 C ATOM 914 OG1 THR A 58 11.680 -14.817 -11.663 1.00 0.00 O ATOM 915 CG2 THR A 58 9.492 -14.646 -10.401 1.00 0.00 C ATOM 0 H THR A 58 7.767 -14.691 -11.835 1.00 0.00 H new ATOM 0 HA THR A 58 9.847 -14.751 -13.903 1.00 0.00 H new ATOM 0 HB THR A 58 10.304 -13.423 -11.995 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.185 -14.022 -11.393 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.079 -14.206 -9.595 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.529 -14.140 -10.466 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.332 -15.705 -10.197 1.00 0.00 H new ATOM 923 N THR A 59 10.811 -17.097 -13.236 1.00 0.00 N ATOM 924 CA THR A 59 11.066 -18.541 -13.210 1.00 0.00 C ATOM 925 C THR A 59 11.156 -19.098 -11.773 1.00 0.00 C ATOM 926 O THR A 59 11.277 -20.303 -11.588 1.00 0.00 O ATOM 927 CB THR A 59 12.292 -19.004 -14.061 1.00 0.00 C ATOM 928 OG1 THR A 59 12.620 -20.434 -14.021 1.00 0.00 O ATOM 929 CG2 THR A 59 13.544 -18.096 -13.879 1.00 0.00 C ATOM 0 H THR A 59 11.599 -16.519 -13.528 1.00 0.00 H new ATOM 0 HA THR A 59 10.189 -18.971 -13.693 1.00 0.00 H new ATOM 0 HB THR A 59 11.933 -18.863 -15.080 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.258 -20.830 -13.201 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.359 -18.472 -14.497 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.301 -17.077 -14.180 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.849 -18.102 -12.833 1.00 0.00 H new ATOM 937 N GLN A 60 11.089 -18.188 -10.770 1.00 0.00 N ATOM 938 CA GLN A 60 11.121 -18.646 -9.378 1.00 0.00 C ATOM 939 C GLN A 60 9.721 -19.155 -8.957 1.00 0.00 C ATOM 940 O GLN A 60 9.586 -20.079 -8.166 1.00 0.00 O ATOM 941 CB GLN A 60 11.556 -17.514 -8.441 1.00 0.00 C ATOM 942 CG GLN A 60 13.075 -17.253 -8.465 1.00 0.00 C ATOM 943 CD GLN A 60 13.396 -15.814 -8.045 1.00 0.00 C ATOM 944 OE1 GLN A 60 13.897 -15.550 -6.961 1.00 0.00 O ATOM 945 NE2 GLN A 60 13.076 -14.904 -8.977 1.00 0.00 N ATOM 0 H GLN A 60 11.016 -17.179 -10.898 1.00 0.00 H new ATOM 0 HA GLN A 60 11.844 -19.459 -9.303 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.033 -16.599 -8.720 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.252 -17.757 -7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.577 -17.951 -7.795 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.463 -17.438 -9.467 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.660 -15.202 -9.859 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.249 -13.914 -8.803 1.00 0.00 H new ATOM 954 N GLY A 61 8.708 -18.486 -9.549 1.00 0.00 N ATOM 955 CA GLY A 61 7.311 -18.806 -9.297 1.00 0.00 C ATOM 956 C GLY A 61 6.457 -17.539 -9.358 1.00 0.00 C ATOM 957 O GLY A 61 6.940 -16.448 -9.637 1.00 0.00 O ATOM 0 H GLY A 61 8.847 -17.719 -10.206 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.957 -19.527 -10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.209 -19.275 -8.318 1.00 0.00 H new ATOM 961 N GLU A 62 5.157 -17.755 -9.072 1.00 0.00 N ATOM 962 CA GLU A 62 4.173 -16.693 -9.067 1.00 0.00 C ATOM 963 C GLU A 62 4.269 -15.959 -7.709 1.00 0.00 C ATOM 964 O GLU A 62 3.701 -16.373 -6.706 1.00 0.00 O ATOM 965 CB GLU A 62 2.816 -17.381 -9.304 1.00 0.00 C ATOM 966 CG GLU A 62 1.816 -16.491 -10.040 1.00 0.00 C ATOM 967 CD GLU A 62 0.525 -17.245 -10.414 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.611 -18.380 -10.886 1.00 0.00 O ATOM 969 OE2 GLU A 62 -0.552 -16.681 -10.235 1.00 0.00 O ATOM 0 H GLU A 62 4.777 -18.673 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 62 4.322 -15.938 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.973 -18.294 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.393 -17.677 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.565 -15.635 -9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.280 -16.099 -10.945 1.00 0.00 H new ATOM 976 N VAL A 63 5.043 -14.853 -7.760 1.00 0.00 N ATOM 977 CA VAL A 63 5.335 -13.995 -6.619 1.00 0.00 C ATOM 978 C VAL A 63 4.932 -12.590 -7.040 1.00 0.00 C ATOM 979 O VAL A 63 4.869 -12.351 -8.225 1.00 0.00 O ATOM 980 CB VAL A 63 6.866 -14.039 -6.423 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.626 -13.543 -7.673 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.312 -13.263 -5.175 1.00 0.00 C ATOM 0 H VAL A 63 5.487 -14.535 -8.622 1.00 0.00 H new ATOM 0 HA VAL A 63 4.820 -14.295 -5.706 1.00 0.00 H new ATOM 0 HB VAL A 63 7.122 -15.088 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.699 -13.592 -7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.375 -14.174 -8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.341 -12.513 -7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.396 -13.322 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.012 -12.219 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.845 -13.696 -4.291 1.00 0.00 H new ATOM 992 N VAL A 64 4.669 -11.689 -6.083 1.00 0.00 N ATOM 993 CA VAL A 64 4.319 -10.302 -6.412 1.00 0.00 C ATOM 994 C VAL A 64 5.651 -9.488 -6.341 1.00 0.00 C ATOM 995 O VAL A 64 6.693 -10.083 -6.564 1.00 0.00 O ATOM 996 CB VAL A 64 3.088 -9.980 -5.527 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.854 -8.527 -5.186 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.813 -10.404 -6.254 1.00 0.00 C ATOM 0 H VAL A 64 4.692 -11.894 -5.084 1.00 0.00 H new ATOM 0 HA VAL A 64 3.967 -10.045 -7.411 1.00 0.00 H new ATOM 0 HB VAL A 64 3.308 -10.516 -4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.964 -8.438 -4.564 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.716 -8.137 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.714 -7.956 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.947 -10.178 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.734 -9.862 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.847 -11.475 -6.453 1.00 0.00 H new ATOM 1008 N LYS A 65 5.597 -8.151 -6.136 1.00 0.00 N ATOM 1009 CA LYS A 65 6.751 -7.246 -5.907 1.00 0.00 C ATOM 1010 C LYS A 65 6.290 -6.188 -4.907 1.00 0.00 C ATOM 1011 O LYS A 65 5.137 -6.174 -4.502 1.00 0.00 O ATOM 1012 CB LYS A 65 7.533 -6.544 -7.044 1.00 0.00 C ATOM 1013 CG LYS A 65 8.003 -7.545 -8.072 1.00 0.00 C ATOM 1014 CD LYS A 65 6.844 -7.761 -9.007 1.00 0.00 C ATOM 1015 CE LYS A 65 7.136 -7.245 -10.420 1.00 0.00 C ATOM 1016 NZ LYS A 65 6.395 -7.908 -11.476 1.00 0.00 N ATOM 0 H LYS A 65 4.709 -7.650 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 65 7.514 -7.959 -5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.898 -5.798 -7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.390 -6.014 -6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.873 -7.170 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.300 -8.480 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.609 -8.824 -9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.962 -7.256 -8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.915 -6.178 -10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.202 -7.356 -10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.060 -8.323 -12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.805 -8.660 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.787 -7.217 -11.960 1.00 0.00 H new ATOM 1030 N HIS A 66 7.250 -5.309 -4.575 1.00 0.00 N ATOM 1031 CA HIS A 66 7.086 -4.213 -3.635 1.00 0.00 C ATOM 1032 C HIS A 66 7.927 -2.993 -4.073 1.00 0.00 C ATOM 1033 O HIS A 66 9.044 -3.127 -4.554 1.00 0.00 O ATOM 1034 CB HIS A 66 7.664 -4.650 -2.277 1.00 0.00 C ATOM 1035 CG HIS A 66 6.911 -5.819 -1.696 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.588 -5.997 -1.854 1.00 0.00 N ATOM 1037 CD2 HIS A 66 7.418 -6.896 -0.951 1.00 0.00 C ATOM 1038 CE1 HIS A 66 5.295 -7.145 -1.234 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.377 -7.715 -0.673 1.00 0.00 N ATOM 0 H HIS A 66 8.188 -5.352 -4.972 1.00 0.00 H new ATOM 0 HA HIS A 66 6.027 -3.958 -3.586 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.713 -4.918 -2.398 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.628 -3.812 -1.580 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.940 -5.382 -2.346 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.446 -7.043 -0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.302 -7.567 -1.189 1.00 0.00 H new ATOM 1047 N TYR A 67 7.317 -1.811 -3.847 1.00 0.00 N ATOM 1048 CA TYR A 67 7.928 -0.505 -4.108 1.00 0.00 C ATOM 1049 C TYR A 67 7.350 0.441 -3.049 1.00 0.00 C ATOM 1050 O TYR A 67 6.398 0.088 -2.363 1.00 0.00 O ATOM 1051 CB TYR A 67 7.642 0.068 -5.509 1.00 0.00 C ATOM 1052 CG TYR A 67 8.032 -0.857 -6.625 1.00 0.00 C ATOM 1053 CD1 TYR A 67 9.338 -0.863 -7.092 1.00 0.00 C ATOM 1054 CD2 TYR A 67 7.100 -1.699 -7.216 1.00 0.00 C ATOM 1055 CE1 TYR A 67 9.715 -1.698 -8.136 1.00 0.00 C ATOM 1056 CE2 TYR A 67 7.459 -2.545 -8.256 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.774 -2.543 -8.737 1.00 0.00 C ATOM 1058 OH TYR A 67 9.131 -3.301 -9.845 1.00 0.00 O ATOM 0 H TYR A 67 6.371 -1.744 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 67 9.012 -0.613 -4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.579 0.295 -5.590 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.178 1.010 -5.624 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.070 -0.211 -6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.080 -1.696 -6.861 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.737 -1.696 -8.485 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.724 -3.205 -8.694 1.00 0.00 H new ATOM 0 HH TYR A 67 10.107 -3.316 -9.930 1.00 0.00 H new ATOM 1068 N LYS A 68 7.952 1.647 -2.953 1.00 0.00 N ATOM 1069 CA LYS A 68 7.482 2.622 -1.983 1.00 0.00 C ATOM 1070 C LYS A 68 7.547 4.070 -2.498 1.00 0.00 C ATOM 1071 O LYS A 68 8.553 4.761 -2.417 1.00 0.00 O ATOM 1072 CB LYS A 68 8.113 2.380 -0.619 1.00 0.00 C ATOM 1073 CG LYS A 68 9.615 2.586 -0.544 1.00 0.00 C ATOM 1074 CD LYS A 68 10.426 1.499 -1.262 1.00 0.00 C ATOM 1075 CE LYS A 68 11.863 1.429 -0.750 1.00 0.00 C ATOM 1076 NZ LYS A 68 12.634 0.355 -1.372 1.00 0.00 N ATOM 0 H LYS A 68 8.741 1.950 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 68 6.413 2.469 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.637 3.043 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.889 1.359 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.861 3.556 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.916 2.619 0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.943 0.532 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.432 1.699 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.358 2.382 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.852 1.284 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.600 0.354 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.181 -0.559 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.671 0.505 -2.401 1.00 0.00 H new ATOM 1090 N ILE A 69 6.380 4.471 -3.041 1.00 0.00 N ATOM 1091 CA ILE A 69 6.188 5.833 -3.524 1.00 0.00 C ATOM 1092 C ILE A 69 6.171 6.801 -2.326 1.00 0.00 C ATOM 1093 O ILE A 69 5.644 6.514 -1.262 1.00 0.00 O ATOM 1094 CB ILE A 69 4.939 5.977 -4.441 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.799 4.997 -4.159 1.00 0.00 C ATOM 1096 CG2 ILE A 69 5.148 6.235 -5.919 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.820 3.644 -4.886 1.00 0.00 C ATOM 0 H ILE A 69 5.566 3.866 -3.151 1.00 0.00 H new ATOM 0 HA ILE A 69 7.029 6.096 -4.165 1.00 0.00 H new ATOM 0 HB ILE A 69 4.601 6.952 -4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.784 4.801 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.861 5.495 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.181 6.310 -6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.697 7.167 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.717 5.414 -6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.952 3.057 -4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.793 3.809 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.730 3.104 -4.624 1.00 0.00 H new ATOM 1109 N ARG A 70 6.814 7.949 -2.570 1.00 0.00 N ATOM 1110 CA ARG A 70 6.879 9.004 -1.567 1.00 0.00 C ATOM 1111 C ARG A 70 5.833 10.052 -1.929 1.00 0.00 C ATOM 1112 O ARG A 70 5.070 9.872 -2.867 1.00 0.00 O ATOM 1113 CB ARG A 70 8.284 9.573 -1.553 1.00 0.00 C ATOM 1114 CG ARG A 70 9.256 8.571 -0.921 1.00 0.00 C ATOM 1115 CD ARG A 70 10.276 9.335 -0.089 1.00 0.00 C ATOM 1116 NE ARG A 70 11.462 8.546 0.225 1.00 0.00 N ATOM 1117 CZ ARG A 70 11.484 7.563 1.146 1.00 0.00 C ATOM 1118 NH1 ARG A 70 10.393 7.224 1.821 1.00 0.00 N ATOM 1119 NH2 ARG A 70 12.623 6.926 1.383 1.00 0.00 N ATOM 0 H ARG A 70 7.290 8.165 -3.446 1.00 0.00 H new ATOM 0 HA ARG A 70 6.665 8.633 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.600 9.805 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.300 10.508 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.713 7.862 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.759 7.992 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.576 10.233 -0.628 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.808 9.662 0.839 1.00 0.00 H new ATOM 0 HE ARG A 70 12.324 8.750 -0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.514 7.711 1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.434 6.476 2.514 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.467 7.183 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.655 6.180 2.077 1.00 0.00 H new ATOM 1133 N SER A 71 5.849 11.141 -1.138 1.00 0.00 N ATOM 1134 CA SER A 71 4.922 12.225 -1.355 1.00 0.00 C ATOM 1135 C SER A 71 5.678 13.549 -1.260 1.00 0.00 C ATOM 1136 O SER A 71 6.240 13.886 -0.226 1.00 0.00 O ATOM 1137 CB SER A 71 3.853 12.133 -0.241 1.00 0.00 C ATOM 1138 OG SER A 71 4.229 11.569 1.082 1.00 0.00 O ATOM 0 H SER A 71 6.491 11.277 -0.357 1.00 0.00 H new ATOM 0 HA SER A 71 4.452 12.166 -2.337 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.469 13.139 -0.071 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.026 11.537 -0.628 1.00 0.00 H new ATOM 0 HG SER A 71 3.589 11.871 1.760 1.00 0.00 H new ATOM 1144 N LEU A 72 5.637 14.272 -2.400 1.00 0.00 N ATOM 1145 CA LEU A 72 6.300 15.554 -2.536 1.00 0.00 C ATOM 1146 C LEU A 72 5.272 16.651 -2.768 1.00 0.00 C ATOM 1147 O LEU A 72 4.335 16.530 -3.547 1.00 0.00 O ATOM 1148 CB LEU A 72 7.299 15.500 -3.696 1.00 0.00 C ATOM 1149 CG LEU A 72 7.998 14.157 -3.824 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.626 13.712 -2.494 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.098 13.119 -4.527 1.00 0.00 C ATOM 0 H LEU A 72 5.141 13.971 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 72 6.842 15.778 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.777 15.720 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.048 16.280 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 72 8.854 14.263 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.116 12.748 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.360 14.451 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.848 13.622 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.628 12.170 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.184 12.979 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.845 13.474 -5.526 1.00 0.00 H new ATOM 1163 N ASP A 73 5.559 17.728 -2.024 1.00 0.00 N ATOM 1164 CA ASP A 73 4.745 18.939 -2.062 1.00 0.00 C ATOM 1165 C ASP A 73 4.779 19.613 -3.447 1.00 0.00 C ATOM 1166 O ASP A 73 3.830 20.259 -3.872 1.00 0.00 O ATOM 1167 CB ASP A 73 5.255 19.936 -1.005 1.00 0.00 C ATOM 1168 CG ASP A 73 6.774 20.196 -1.111 1.00 0.00 C ATOM 1169 OD1 ASP A 73 7.544 19.429 -0.534 1.00 0.00 O ATOM 1170 OD2 ASP A 73 7.166 21.158 -1.773 1.00 0.00 O ATOM 0 H ASP A 73 6.354 17.780 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 73 3.715 18.650 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.721 20.880 -1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.025 19.554 -0.011 1.00 0.00 H new ATOM 1175 N ASN A 74 5.937 19.401 -4.105 1.00 0.00 N ATOM 1176 CA ASN A 74 6.211 19.973 -5.415 1.00 0.00 C ATOM 1177 C ASN A 74 6.379 18.912 -6.520 1.00 0.00 C ATOM 1178 O ASN A 74 6.710 19.241 -7.653 1.00 0.00 O ATOM 1179 CB ASN A 74 7.496 20.811 -5.291 1.00 0.00 C ATOM 1180 CG ASN A 74 8.712 19.992 -4.805 1.00 0.00 C ATOM 1181 OD1 ASN A 74 8.673 18.777 -4.654 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.794 20.748 -4.573 1.00 0.00 N ATOM 0 H ASN A 74 6.697 18.830 -3.735 1.00 0.00 H new ATOM 0 HA ASN A 74 5.356 20.580 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.728 21.254 -6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.320 21.634 -4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.659 20.315 -4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.753 21.756 -4.721 1.00 0.00 H new ATOM 1189 N GLY A 75 6.137 17.640 -6.143 1.00 0.00 N ATOM 1190 CA GLY A 75 6.322 16.574 -7.125 1.00 0.00 C ATOM 1191 C GLY A 75 5.465 15.324 -6.928 1.00 0.00 C ATOM 1192 O GLY A 75 5.844 14.251 -7.368 1.00 0.00 O ATOM 0 H GLY A 75 5.830 17.344 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.115 16.980 -8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.371 16.276 -7.115 1.00 0.00 H new ATOM 1196 N GLY A 76 4.324 15.502 -6.242 1.00 0.00 N ATOM 1197 CA GLY A 76 3.347 14.433 -6.031 1.00 0.00 C ATOM 1198 C GLY A 76 3.830 13.114 -5.421 1.00 0.00 C ATOM 1199 O GLY A 76 3.649 12.890 -4.235 1.00 0.00 O ATOM 0 H GLY A 76 4.058 16.392 -5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.558 14.826 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.891 14.206 -6.994 1.00 0.00 H new ATOM 1203 N TYR A 77 4.412 12.250 -6.296 1.00 0.00 N ATOM 1204 CA TYR A 77 4.909 10.945 -5.871 1.00 0.00 C ATOM 1205 C TYR A 77 6.155 10.592 -6.669 1.00 0.00 C ATOM 1206 O TYR A 77 6.276 10.899 -7.847 1.00 0.00 O ATOM 1207 CB TYR A 77 3.905 9.807 -6.153 1.00 0.00 C ATOM 1208 CG TYR A 77 2.609 9.946 -5.417 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.585 10.719 -5.934 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.406 9.260 -4.235 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.346 10.792 -5.311 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.190 9.334 -3.575 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.131 10.074 -4.123 1.00 0.00 C ATOM 1214 OH TYR A 77 -1.119 10.084 -3.511 1.00 0.00 O ATOM 0 H TYR A 77 4.540 12.446 -7.289 1.00 0.00 H new ATOM 0 HA TYR A 77 5.093 11.026 -4.800 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.702 9.772 -7.223 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.364 8.856 -5.884 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.753 11.278 -6.843 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.203 8.660 -3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.444 11.394 -5.735 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.057 8.820 -2.635 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.091 9.534 -2.700 1.00 0.00 H new ATOM 1224 N TYR A 78 7.061 9.900 -5.944 1.00 0.00 N ATOM 1225 CA TYR A 78 8.287 9.437 -6.608 1.00 0.00 C ATOM 1226 C TYR A 78 8.704 8.047 -6.075 1.00 0.00 C ATOM 1227 O TYR A 78 8.664 7.786 -4.881 1.00 0.00 O ATOM 1228 CB TYR A 78 9.432 10.475 -6.558 1.00 0.00 C ATOM 1229 CG TYR A 78 10.347 10.425 -5.357 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.388 9.507 -5.306 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.195 11.303 -4.294 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.251 9.442 -4.227 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.061 11.265 -3.210 1.00 0.00 C ATOM 1234 CZ TYR A 78 12.109 10.342 -3.169 1.00 0.00 C ATOM 1235 OH TYR A 78 12.990 10.320 -2.093 1.00 0.00 O ATOM 0 H TYR A 78 6.973 9.663 -4.956 1.00 0.00 H new ATOM 0 HA TYR A 78 8.062 9.325 -7.669 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.041 10.352 -7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.990 11.470 -6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.528 8.825 -6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.392 12.026 -4.310 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.033 8.697 -4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.923 11.955 -2.391 1.00 0.00 H new ATOM 0 HH TYR A 78 12.740 11.017 -1.451 1.00 0.00 H new ATOM 1245 N ILE A 79 9.101 7.194 -7.049 1.00 0.00 N ATOM 1246 CA ILE A 79 9.592 5.811 -6.830 1.00 0.00 C ATOM 1247 C ILE A 79 11.040 5.629 -7.319 1.00 0.00 C ATOM 1248 O ILE A 79 11.633 4.563 -7.216 1.00 0.00 O ATOM 1249 CB ILE A 79 8.607 4.686 -7.211 1.00 0.00 C ATOM 1250 CG1 ILE A 79 7.663 5.112 -8.331 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.945 3.923 -6.060 1.00 0.00 C ATOM 1252 CD1 ILE A 79 6.719 3.988 -8.752 1.00 0.00 C ATOM 0 H ILE A 79 9.089 7.455 -8.035 1.00 0.00 H new ATOM 0 HA ILE A 79 9.635 5.682 -5.748 1.00 0.00 H new ATOM 0 HB ILE A 79 9.243 3.900 -7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.078 5.971 -8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.247 5.435 -9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.278 3.162 -6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.713 3.446 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.373 4.617 -5.445 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.067 4.340 -9.551 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.301 3.138 -9.107 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.114 3.682 -7.899 1.00 0.00 H new ATOM 1264 N SER A 80 11.547 6.754 -7.827 1.00 0.00 N ATOM 1265 CA SER A 80 12.897 6.939 -8.310 1.00 0.00 C ATOM 1266 C SER A 80 13.026 8.463 -8.227 1.00 0.00 C ATOM 1267 O SER A 80 12.175 9.158 -8.760 1.00 0.00 O ATOM 1268 CB SER A 80 13.064 6.405 -9.764 1.00 0.00 C ATOM 1269 OG SER A 80 12.297 5.218 -10.218 1.00 0.00 O ATOM 0 H SER A 80 10.987 7.602 -7.913 1.00 0.00 H new ATOM 0 HA SER A 80 13.661 6.400 -7.749 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.819 7.225 -10.439 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.121 6.180 -9.906 1.00 0.00 H new ATOM 0 HG SER A 80 12.520 5.022 -11.152 1.00 0.00 H new ATOM 1275 N PRO A 81 14.061 9.015 -7.540 1.00 0.00 N ATOM 1276 CA PRO A 81 14.146 10.472 -7.431 1.00 0.00 C ATOM 1277 C PRO A 81 14.395 11.193 -8.777 1.00 0.00 C ATOM 1278 O PRO A 81 14.259 12.404 -8.892 1.00 0.00 O ATOM 1279 CB PRO A 81 15.238 10.702 -6.381 1.00 0.00 C ATOM 1280 CG PRO A 81 15.603 9.327 -5.813 1.00 0.00 C ATOM 1281 CD PRO A 81 15.138 8.320 -6.849 1.00 0.00 C ATOM 0 HA PRO A 81 13.196 10.914 -7.129 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.110 11.179 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.882 11.364 -5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.676 9.246 -5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.114 9.157 -4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.942 8.047 -7.532 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.788 7.399 -6.384 1.00 0.00 H new ATOM 1289 N ARG A 82 14.715 10.345 -9.781 1.00 0.00 N ATOM 1290 CA ARG A 82 14.949 10.763 -11.157 1.00 0.00 C ATOM 1291 C ARG A 82 13.602 10.926 -11.911 1.00 0.00 C ATOM 1292 O ARG A 82 13.504 11.709 -12.849 1.00 0.00 O ATOM 1293 CB ARG A 82 16.004 9.842 -11.796 1.00 0.00 C ATOM 1294 CG ARG A 82 15.646 8.349 -11.831 1.00 0.00 C ATOM 1295 CD ARG A 82 14.999 7.966 -13.150 1.00 0.00 C ATOM 1296 NE ARG A 82 14.534 6.581 -13.111 1.00 0.00 N ATOM 1297 CZ ARG A 82 13.779 6.039 -14.094 1.00 0.00 C ATOM 1298 NH1 ARG A 82 13.497 6.720 -15.198 1.00 0.00 N ATOM 1299 NH2 ARG A 82 13.300 4.812 -13.951 1.00 0.00 N ATOM 0 H ARG A 82 14.816 9.340 -9.642 1.00 0.00 H new ATOM 0 HA ARG A 82 15.387 11.760 -11.213 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.184 10.178 -12.817 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.941 9.960 -11.252 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.546 7.754 -11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.968 8.116 -11.010 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.161 8.631 -13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.714 8.093 -13.963 1.00 0.00 H new ATOM 0 HE ARG A 82 14.789 6.001 -12.312 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.851 7.669 -15.316 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.926 6.294 -15.928 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.501 4.282 -13.103 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.730 4.398 -14.689 1.00 0.00 H new ATOM 1313 N ILE A 83 12.578 10.167 -11.435 1.00 0.00 N ATOM 1314 CA ILE A 83 11.216 10.220 -11.974 1.00 0.00 C ATOM 1315 C ILE A 83 10.169 10.341 -10.841 1.00 0.00 C ATOM 1316 O ILE A 83 9.861 9.441 -10.058 1.00 0.00 O ATOM 1317 CB ILE A 83 10.877 9.135 -12.971 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.221 7.765 -12.419 1.00 0.00 C ATOM 1319 CG2 ILE A 83 11.520 9.427 -14.338 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.488 6.724 -13.221 1.00 0.00 C ATOM 0 H ILE A 83 12.687 9.505 -10.667 1.00 0.00 H new ATOM 0 HA ILE A 83 11.178 11.132 -12.569 1.00 0.00 H new ATOM 0 HB ILE A 83 9.800 9.130 -13.138 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.296 7.595 -12.472 1.00 0.00 H new ATOM 0 HG13 ILE A 83 10.940 7.700 -11.368 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.262 8.633 -15.039 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.151 10.380 -14.718 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.603 9.476 -14.228 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.726 5.733 -12.835 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.414 6.895 -13.144 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.792 6.789 -14.266 1.00 0.00 H new ATOM 1332 N THR A 84 9.658 11.578 -10.900 1.00 0.00 N ATOM 1333 CA THR A 84 8.659 12.158 -10.034 1.00 0.00 C ATOM 1334 C THR A 84 7.422 12.415 -10.914 1.00 0.00 C ATOM 1335 O THR A 84 7.525 12.515 -12.131 1.00 0.00 O ATOM 1336 CB THR A 84 9.332 13.478 -9.570 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.799 13.541 -9.469 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.678 13.984 -8.281 1.00 0.00 C ATOM 0 H THR A 84 9.965 12.238 -11.614 1.00 0.00 H new ATOM 0 HA THR A 84 8.344 11.557 -9.181 1.00 0.00 H new ATOM 0 HB THR A 84 9.143 14.138 -10.416 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.068 14.434 -9.167 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.160 14.910 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.619 14.169 -8.459 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.789 13.234 -7.498 1.00 0.00 H new ATOM 1346 N PHE A 85 6.267 12.516 -10.229 1.00 0.00 N ATOM 1347 CA PHE A 85 4.990 12.693 -10.948 1.00 0.00 C ATOM 1348 C PHE A 85 4.027 13.540 -10.090 1.00 0.00 C ATOM 1349 O PHE A 85 3.998 13.380 -8.883 1.00 0.00 O ATOM 1350 CB PHE A 85 4.362 11.305 -11.208 1.00 0.00 C ATOM 1351 CG PHE A 85 5.219 10.439 -12.098 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.192 9.604 -11.550 1.00 0.00 C ATOM 1353 CD2 PHE A 85 5.060 10.472 -13.480 1.00 0.00 C ATOM 1354 CE1 PHE A 85 7.005 8.828 -12.363 1.00 0.00 C ATOM 1355 CE2 PHE A 85 5.875 9.696 -14.299 1.00 0.00 C ATOM 1356 CZ PHE A 85 6.851 8.879 -13.740 1.00 0.00 C ATOM 0 H PHE A 85 6.190 12.480 -9.213 1.00 0.00 H new ATOM 0 HA PHE A 85 5.169 13.201 -11.896 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.204 10.798 -10.256 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.382 11.434 -11.667 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.314 9.561 -10.478 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.301 11.102 -13.919 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.755 8.186 -11.925 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.749 9.729 -15.371 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.489 8.285 -14.378 1.00 0.00 H new ATOM 1366 N PRO A 86 3.191 14.415 -10.729 1.00 0.00 N ATOM 1367 CA PRO A 86 2.265 15.295 -9.989 1.00 0.00 C ATOM 1368 C PRO A 86 1.205 14.558 -9.137 1.00 0.00 C ATOM 1369 O PRO A 86 0.602 15.130 -8.239 1.00 0.00 O ATOM 1370 CB PRO A 86 1.597 16.136 -11.091 1.00 0.00 C ATOM 1371 CG PRO A 86 1.770 15.322 -12.376 1.00 0.00 C ATOM 1372 CD PRO A 86 3.072 14.545 -12.180 1.00 0.00 C ATOM 0 HA PRO A 86 2.812 15.879 -9.249 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.543 16.307 -10.872 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.067 17.115 -11.179 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.928 14.648 -12.533 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.825 15.971 -13.250 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.032 13.570 -12.666 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.923 15.078 -12.604 1.00 0.00 H new ATOM 1380 N THR A 87 1.051 13.259 -9.460 1.00 0.00 N ATOM 1381 CA THR A 87 0.140 12.344 -8.777 1.00 0.00 C ATOM 1382 C THR A 87 0.522 10.955 -9.261 1.00 0.00 C ATOM 1383 O THR A 87 1.279 10.798 -10.212 1.00 0.00 O ATOM 1384 CB THR A 87 -1.366 12.527 -9.110 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.322 11.584 -8.516 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.563 12.765 -10.620 1.00 0.00 C ATOM 0 H THR A 87 1.570 12.816 -10.218 1.00 0.00 H new ATOM 0 HA THR A 87 0.241 12.526 -7.707 1.00 0.00 H new ATOM 0 HB THR A 87 -1.651 13.431 -8.572 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.230 11.813 -8.805 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.625 12.891 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.024 13.663 -10.920 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.180 11.909 -11.176 1.00 0.00 H new ATOM 1394 N LEU A 88 -0.070 9.950 -8.583 1.00 0.00 N ATOM 1395 CA LEU A 88 0.231 8.604 -9.012 1.00 0.00 C ATOM 1396 C LEU A 88 -0.384 8.334 -10.381 1.00 0.00 C ATOM 1397 O LEU A 88 0.169 7.523 -11.093 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.338 7.507 -8.106 1.00 0.00 C ATOM 1399 CG LEU A 88 0.240 7.436 -6.714 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -0.548 6.403 -5.940 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.693 7.006 -6.710 1.00 0.00 C ATOM 0 H LEU A 88 -0.711 10.047 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 88 1.320 8.561 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.415 7.653 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.183 6.544 -8.593 1.00 0.00 H new ATOM 0 HG LEU A 88 0.181 8.431 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.153 6.328 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.596 6.700 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.464 5.435 -6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.059 6.971 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.781 6.017 -7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.285 7.720 -7.283 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.496 9.012 -10.775 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.032 8.581 -12.086 1.00 0.00 C ATOM 1415 C GLN A 89 -1.044 8.759 -13.253 1.00 0.00 C ATOM 1416 O GLN A 89 -0.994 7.935 -14.151 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.465 9.031 -12.385 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.681 10.512 -12.564 1.00 0.00 C ATOM 1419 CD GLN A 89 -3.034 11.180 -13.793 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -2.754 12.370 -13.793 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -2.805 10.352 -14.829 1.00 0.00 N ATOM 0 H GLN A 89 -1.982 9.760 -10.280 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.137 7.501 -11.981 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.799 8.525 -13.291 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.107 8.688 -11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.755 10.693 -12.609 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.310 11.017 -11.672 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.064 9.368 -14.762 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.372 10.709 -15.681 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.258 9.853 -13.178 1.00 0.00 N ATOM 1431 CA ALA A 90 0.718 10.123 -14.236 1.00 0.00 C ATOM 1432 C ALA A 90 1.899 9.129 -14.196 1.00 0.00 C ATOM 1433 O ALA A 90 2.677 9.009 -15.132 1.00 0.00 O ATOM 1434 CB ALA A 90 1.240 11.557 -14.107 1.00 0.00 C ATOM 0 H ALA A 90 -0.281 10.537 -12.422 1.00 0.00 H new ATOM 0 HA ALA A 90 0.213 9.998 -15.194 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.966 11.752 -14.896 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.409 12.256 -14.197 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.718 11.684 -13.136 1.00 0.00 H new ATOM 1440 N LEU A 91 1.976 8.437 -13.053 1.00 0.00 N ATOM 1441 CA LEU A 91 2.964 7.404 -12.804 1.00 0.00 C ATOM 1442 C LEU A 91 2.411 6.080 -13.372 1.00 0.00 C ATOM 1443 O LEU A 91 3.123 5.319 -14.007 1.00 0.00 O ATOM 1444 CB LEU A 91 3.257 7.451 -11.288 1.00 0.00 C ATOM 1445 CG LEU A 91 3.666 6.170 -10.543 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.365 6.549 -9.234 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.433 5.332 -10.193 1.00 0.00 C ATOM 0 H LEU A 91 1.340 8.588 -12.270 1.00 0.00 H new ATOM 0 HA LEU A 91 3.924 7.535 -13.303 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.050 8.183 -11.134 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.365 7.840 -10.798 1.00 0.00 H new ATOM 0 HG LEU A 91 4.329 5.594 -11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.657 5.644 -8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.252 7.143 -9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.684 7.131 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.744 4.430 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.767 5.913 -9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.909 5.056 -11.108 1.00 0.00 H new ATOM 1459 N VAL A 92 1.090 5.880 -13.164 1.00 0.00 N ATOM 1460 CA VAL A 92 0.391 4.682 -13.606 1.00 0.00 C ATOM 1461 C VAL A 92 0.131 4.721 -15.143 1.00 0.00 C ATOM 1462 O VAL A 92 -0.059 3.687 -15.768 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.916 4.530 -12.765 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.345 3.094 -12.571 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.851 5.015 -11.312 1.00 0.00 C ATOM 0 H VAL A 92 0.491 6.552 -12.684 1.00 0.00 H new ATOM 0 HA VAL A 92 1.007 3.799 -13.437 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.589 5.136 -13.372 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.259 3.064 -11.978 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.527 2.634 -13.542 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.558 2.546 -12.052 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.817 4.857 -10.832 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.084 4.456 -10.776 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.606 6.077 -11.293 1.00 0.00 H new ATOM 1475 N GLN A 93 0.175 5.962 -15.704 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.059 6.233 -17.128 1.00 0.00 C ATOM 1477 C GLN A 93 1.253 5.956 -17.884 1.00 0.00 C ATOM 1478 O GLN A 93 1.315 5.259 -18.893 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.575 7.679 -17.378 1.00 0.00 C ATOM 1480 CG GLN A 93 0.475 8.774 -17.632 1.00 0.00 C ATOM 1481 CD GLN A 93 -0.160 10.165 -17.720 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -1.362 10.330 -17.873 1.00 0.00 O ATOM 1483 NE2 GLN A 93 0.737 11.152 -17.596 1.00 0.00 N ATOM 0 H GLN A 93 0.377 6.803 -15.163 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.848 5.577 -17.497 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.247 7.653 -18.235 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.170 7.978 -16.515 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.213 8.762 -16.830 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.007 8.559 -18.559 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.725 10.931 -17.471 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.432 12.125 -17.627 1.00 0.00 H new ATOM 1492 N HIS A 94 2.318 6.542 -17.290 1.00 0.00 N ATOM 1493 CA HIS A 94 3.659 6.411 -17.834 1.00 0.00 C ATOM 1494 C HIS A 94 4.081 4.936 -17.789 1.00 0.00 C ATOM 1495 O HIS A 94 4.794 4.446 -18.655 1.00 0.00 O ATOM 1496 CB HIS A 94 4.597 7.317 -17.020 1.00 0.00 C ATOM 1497 CG HIS A 94 5.868 7.655 -17.764 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.096 7.633 -17.205 1.00 0.00 N ATOM 1499 CD2 HIS A 94 5.996 8.097 -19.093 1.00 0.00 C ATOM 1500 CE1 HIS A 94 7.942 8.056 -18.160 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.307 8.339 -19.311 1.00 0.00 N ATOM 0 H HIS A 94 2.260 7.103 -16.440 1.00 0.00 H new ATOM 0 HA HIS A 94 3.701 6.726 -18.877 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.074 8.239 -16.764 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.850 6.823 -16.082 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.195 8.220 -19.807 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.008 8.157 -18.019 1.00 0.00 H new ATOM 0 HE2 HIS A 94 7.731 8.671 -20.177 1.00 0.00 H new ATOM 1509 N TYR A 95 3.547 4.263 -16.745 1.00 0.00 N ATOM 1510 CA TYR A 95 3.827 2.843 -16.550 1.00 0.00 C ATOM 1511 C TYR A 95 2.938 1.980 -17.450 1.00 0.00 C ATOM 1512 O TYR A 95 3.298 0.854 -17.767 1.00 0.00 O ATOM 1513 CB TYR A 95 3.707 2.467 -15.072 1.00 0.00 C ATOM 1514 CG TYR A 95 4.817 3.030 -14.211 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.783 3.919 -14.686 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.878 2.648 -12.881 1.00 0.00 C ATOM 1517 CE1 TYR A 95 6.781 4.412 -13.864 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.874 3.124 -12.046 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.856 3.989 -12.536 1.00 0.00 C ATOM 1520 OH TYR A 95 7.896 4.411 -11.721 1.00 0.00 O ATOM 0 H TYR A 95 2.934 4.679 -16.044 1.00 0.00 H new ATOM 0 HA TYR A 95 4.857 2.646 -16.847 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.749 2.822 -14.692 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.704 1.381 -14.981 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.751 4.229 -15.720 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.136 1.968 -12.489 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.499 5.121 -14.248 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.892 2.825 -11.008 1.00 0.00 H new ATOM 0 HH TYR A 95 8.194 5.300 -12.005 1.00 0.00 H new ATOM 1530 N SER A 96 1.791 2.569 -17.879 1.00 0.00 N ATOM 1531 CA SER A 96 0.923 1.836 -18.808 1.00 0.00 C ATOM 1532 C SER A 96 1.572 1.704 -20.205 1.00 0.00 C ATOM 1533 O SER A 96 0.988 1.104 -21.096 1.00 0.00 O ATOM 1534 CB SER A 96 -0.491 2.491 -18.914 1.00 0.00 C ATOM 1535 OG SER A 96 -1.404 2.539 -17.744 1.00 0.00 O ATOM 0 H SER A 96 1.467 3.498 -17.609 1.00 0.00 H new ATOM 0 HA SER A 96 0.795 0.833 -18.401 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.342 3.519 -19.244 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.023 1.973 -19.712 1.00 0.00 H new ATOM 0 HG SER A 96 -1.014 3.107 -17.048 1.00 0.00 H new ATOM 1541 N LYS A 97 2.789 2.279 -20.354 1.00 0.00 N ATOM 1542 CA LYS A 97 3.511 2.168 -21.629 1.00 0.00 C ATOM 1543 C LYS A 97 4.720 1.215 -21.559 1.00 0.00 C ATOM 1544 O LYS A 97 4.878 0.385 -22.445 1.00 0.00 O ATOM 1545 CB LYS A 97 3.887 3.578 -22.128 1.00 0.00 C ATOM 1546 CG LYS A 97 2.749 4.341 -22.838 1.00 0.00 C ATOM 1547 CD LYS A 97 1.402 4.320 -22.094 1.00 0.00 C ATOM 1548 CE LYS A 97 0.480 5.489 -22.435 1.00 0.00 C ATOM 1549 NZ LYS A 97 0.856 6.676 -21.674 1.00 0.00 N ATOM 0 H LYS A 97 3.273 2.807 -19.628 1.00 0.00 H new ATOM 0 HA LYS A 97 2.846 1.708 -22.359 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.226 4.170 -21.278 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.730 3.492 -22.814 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.056 5.378 -22.977 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.607 3.914 -23.831 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.887 3.387 -22.324 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.592 4.323 -21.021 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.533 5.702 -23.503 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.553 5.221 -22.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.080 7.367 -21.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.046 6.410 -20.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.711 7.098 -22.089 1.00 0.00 H new ATOM 1563 N LYS A 98 5.556 1.332 -20.504 1.00 0.00 N ATOM 1564 CA LYS A 98 6.703 0.407 -20.461 1.00 0.00 C ATOM 1565 C LYS A 98 7.256 0.203 -19.057 1.00 0.00 C ATOM 1566 O LYS A 98 8.340 -0.338 -18.873 1.00 0.00 O ATOM 1567 CB LYS A 98 7.812 0.703 -21.487 1.00 0.00 C ATOM 1568 CG LYS A 98 7.993 2.185 -21.748 1.00 0.00 C ATOM 1569 CD LYS A 98 8.401 3.028 -20.542 1.00 0.00 C ATOM 1570 CE LYS A 98 7.228 3.823 -19.971 1.00 0.00 C ATOM 1571 NZ LYS A 98 7.528 5.242 -19.853 1.00 0.00 N ATOM 0 H LYS A 98 5.473 1.996 -19.735 1.00 0.00 H new ATOM 0 HA LYS A 98 6.278 -0.546 -20.776 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.753 0.285 -21.129 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.576 0.200 -22.425 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.747 2.308 -22.525 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.058 2.581 -22.145 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.809 2.378 -19.768 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.196 3.715 -20.833 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.356 3.690 -20.611 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.966 3.426 -18.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.034 5.634 -19.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.553 5.372 -19.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 7.212 5.736 -20.712 1.00 0.00 H new ATOM 1585 N GLY A 99 6.471 0.674 -18.078 1.00 0.00 N ATOM 1586 CA GLY A 99 6.847 0.577 -16.664 1.00 0.00 C ATOM 1587 C GLY A 99 7.925 1.599 -16.250 1.00 0.00 C ATOM 1588 O GLY A 99 8.128 1.886 -15.079 1.00 0.00 O ATOM 0 H GLY A 99 5.571 1.126 -18.241 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.960 0.725 -16.048 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.213 -0.429 -16.460 1.00 0.00 H new ATOM 1592 N ASP A 100 8.608 2.100 -17.300 1.00 0.00 N ATOM 1593 CA ASP A 100 9.680 3.096 -17.281 1.00 0.00 C ATOM 1594 C ASP A 100 10.829 2.801 -16.289 1.00 0.00 C ATOM 1595 O ASP A 100 11.587 3.697 -15.937 1.00 0.00 O ATOM 1596 CB ASP A 100 9.073 4.484 -17.046 1.00 0.00 C ATOM 1597 CG ASP A 100 10.004 5.605 -17.534 1.00 0.00 C ATOM 1598 OD1 ASP A 100 10.197 5.712 -18.744 1.00 0.00 O ATOM 1599 OD2 ASP A 100 10.524 6.354 -16.710 1.00 0.00 O ATOM 0 H ASP A 100 8.403 1.791 -18.250 1.00 0.00 H new ATOM 0 HA ASP A 100 10.162 3.053 -18.258 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.117 4.555 -17.564 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.870 4.617 -15.983 1.00 0.00 H new ATOM 1604 N GLY A 101 10.936 1.530 -15.862 1.00 0.00 N ATOM 1605 CA GLY A 101 12.022 1.216 -14.927 1.00 0.00 C ATOM 1606 C GLY A 101 11.672 0.195 -13.847 1.00 0.00 C ATOM 1607 O GLY A 101 12.547 -0.224 -13.098 1.00 0.00 O ATOM 0 H GLY A 101 10.329 0.754 -16.128 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.874 0.843 -15.496 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.342 2.139 -14.443 1.00 0.00 H new ATOM 1611 N LEU A 102 10.375 -0.180 -13.788 1.00 0.00 N ATOM 1612 CA LEU A 102 9.966 -1.162 -12.785 1.00 0.00 C ATOM 1613 C LEU A 102 10.548 -2.551 -13.111 1.00 0.00 C ATOM 1614 O LEU A 102 11.624 -2.909 -12.648 1.00 0.00 O ATOM 1615 CB LEU A 102 8.435 -1.215 -12.658 1.00 0.00 C ATOM 1616 CG LEU A 102 7.781 0.036 -12.060 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.296 -0.249 -11.877 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.376 0.437 -10.703 1.00 0.00 C ATOM 0 H LEU A 102 9.632 0.167 -14.395 1.00 0.00 H new ATOM 0 HA LEU A 102 10.367 -0.849 -11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 102 8.011 -1.388 -13.647 1.00 0.00 H new ATOM 0 HB3 LEU A 102 8.168 -2.074 -12.042 1.00 0.00 H new ATOM 0 HG LEU A 102 7.960 0.864 -12.746 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.807 0.628 -11.452 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.848 -0.481 -12.843 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.168 -1.097 -11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.870 1.329 -10.333 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.241 -0.378 -9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.440 0.645 -10.819 1.00 0.00 H new ATOM 1630 N CYS A 103 9.776 -3.301 -13.927 1.00 0.00 N ATOM 1631 CA CYS A 103 10.177 -4.657 -14.297 1.00 0.00 C ATOM 1632 C CYS A 103 9.149 -5.262 -15.271 1.00 0.00 C ATOM 1633 O CYS A 103 9.498 -5.851 -16.287 1.00 0.00 O ATOM 1634 CB CYS A 103 10.279 -5.518 -13.027 1.00 0.00 C ATOM 1635 SG CYS A 103 8.846 -5.269 -11.957 1.00 0.00 S ATOM 0 H CYS A 103 8.892 -2.991 -14.330 1.00 0.00 H new ATOM 0 HA CYS A 103 11.148 -4.629 -14.792 1.00 0.00 H new ATOM 0 HB2 CYS A 103 10.353 -6.570 -13.302 1.00 0.00 H new ATOM 0 HB3 CYS A 103 11.190 -5.265 -12.485 1.00 0.00 H new ATOM 0 HG CYS A 103 9.200 -4.583 -10.911 1.00 0.00 H new ATOM 1641 N GLN A 104 7.866 -5.075 -14.893 1.00 0.00 N ATOM 1642 CA GLN A 104 6.742 -5.564 -15.676 1.00 0.00 C ATOM 1643 C GLN A 104 5.653 -4.513 -15.545 1.00 0.00 C ATOM 1644 O GLN A 104 4.966 -4.368 -14.543 1.00 0.00 O ATOM 1645 CB GLN A 104 6.183 -6.924 -15.211 1.00 0.00 C ATOM 1646 CG GLN A 104 7.079 -8.127 -15.543 1.00 0.00 C ATOM 1647 CD GLN A 104 8.250 -8.268 -14.573 1.00 0.00 C ATOM 1648 OE1 GLN A 104 8.236 -7.749 -13.467 1.00 0.00 O ATOM 1649 NE2 GLN A 104 9.263 -8.995 -15.060 1.00 0.00 N ATOM 0 H GLN A 104 7.596 -4.583 -14.041 1.00 0.00 H new ATOM 0 HA GLN A 104 7.081 -5.726 -16.699 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.027 -6.889 -14.133 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.206 -7.077 -15.669 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.481 -9.038 -15.521 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.462 -8.021 -16.558 1.00 0.00 H new ATOM 0 HE21 GLN A 104 9.199 -9.396 -15.995 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.099 -9.148 -14.496 1.00 0.00 H new ATOM 1658 N LYS A 105 5.573 -3.816 -16.683 1.00 0.00 N ATOM 1659 CA LYS A 105 4.651 -2.741 -16.923 1.00 0.00 C ATOM 1660 C LYS A 105 3.200 -3.217 -16.754 1.00 0.00 C ATOM 1661 O LYS A 105 2.864 -4.391 -16.856 1.00 0.00 O ATOM 1662 CB LYS A 105 5.051 -2.089 -18.253 1.00 0.00 C ATOM 1663 CG LYS A 105 4.752 -2.803 -19.582 1.00 0.00 C ATOM 1664 CD LYS A 105 3.288 -2.893 -19.962 1.00 0.00 C ATOM 1665 CE LYS A 105 2.669 -1.505 -20.031 1.00 0.00 C ATOM 1666 NZ LYS A 105 1.430 -1.561 -20.797 1.00 0.00 N ATOM 0 H LYS A 105 6.178 -4.005 -17.482 1.00 0.00 H new ATOM 0 HA LYS A 105 4.704 -1.944 -16.181 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.567 -1.113 -18.294 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.126 -1.911 -18.216 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.285 -2.285 -20.380 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.158 -3.813 -19.531 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.186 -3.391 -20.926 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.753 -3.500 -19.232 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.471 -1.134 -19.026 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.365 -0.808 -20.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.186 -0.608 -21.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.554 -2.195 -21.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.664 -1.921 -20.192 1.00 0.00 H new ATOM 1680 N LEU A 106 2.397 -2.181 -16.467 1.00 0.00 N ATOM 1681 CA LEU A 106 0.968 -2.292 -16.188 1.00 0.00 C ATOM 1682 C LEU A 106 0.185 -2.959 -17.339 1.00 0.00 C ATOM 1683 O LEU A 106 0.526 -2.819 -18.505 1.00 0.00 O ATOM 1684 CB LEU A 106 0.375 -0.878 -15.987 1.00 0.00 C ATOM 1685 CG LEU A 106 0.813 -0.061 -14.752 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.331 0.120 -13.746 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.965 -0.681 -13.991 1.00 0.00 C ATOM 0 H LEU A 106 2.738 -1.221 -16.423 1.00 0.00 H new ATOM 0 HA LEU A 106 0.871 -2.910 -15.295 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.613 -0.290 -16.874 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.710 -0.976 -15.951 1.00 0.00 H new ATOM 0 HG LEU A 106 1.126 0.896 -15.170 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.022 0.700 -12.894 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.157 0.645 -14.225 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.672 -0.857 -13.403 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.217 -0.052 -13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.677 -1.672 -13.639 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.831 -0.766 -14.648 1.00 0.00 H new ATOM 1699 N THR A 107 -0.886 -3.682 -16.945 1.00 0.00 N ATOM 1700 CA THR A 107 -1.734 -4.346 -17.941 1.00 0.00 C ATOM 1701 C THR A 107 -3.200 -4.104 -17.635 1.00 0.00 C ATOM 1702 O THR A 107 -3.890 -3.363 -18.324 1.00 0.00 O ATOM 1703 CB THR A 107 -1.451 -5.872 -18.085 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.819 -6.853 -17.052 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.025 -6.047 -18.483 1.00 0.00 C ATOM 0 H THR A 107 -1.172 -3.815 -15.975 1.00 0.00 H new ATOM 0 HA THR A 107 -1.482 -3.899 -18.902 1.00 0.00 H new ATOM 0 HB THR A 107 -2.190 -6.150 -18.836 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.702 -7.760 -17.405 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.250 -7.108 -18.590 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.209 -5.539 -19.430 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.663 -5.617 -17.711 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.614 -4.789 -16.557 1.00 0.00 N ATOM 1714 CA LEU A 108 -5.003 -4.682 -16.135 1.00 0.00 C ATOM 1715 C LEU A 108 -5.011 -4.524 -14.616 1.00 0.00 C ATOM 1716 O LEU A 108 -4.707 -5.465 -13.909 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.773 -5.955 -16.482 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.646 -6.425 -17.937 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.837 -7.940 -18.041 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.634 -5.665 -18.828 1.00 0.00 C ATOM 0 H LEU A 108 -3.027 -5.398 -15.987 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.472 -3.836 -16.638 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.430 -6.757 -15.828 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.828 -5.793 -16.261 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.639 -6.203 -18.290 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.742 -8.248 -19.082 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.078 -8.444 -17.443 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.827 -8.208 -17.672 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.533 -6.008 -19.858 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.651 -5.848 -18.482 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.421 -4.597 -18.779 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.382 -3.335 -14.106 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.391 -3.115 -12.665 1.00 0.00 C ATOM 1734 C PRO A 109 -6.555 -3.907 -12.052 1.00 0.00 C ATOM 1735 O PRO A 109 -7.707 -3.503 -12.099 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.591 -1.610 -12.559 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.350 -1.219 -13.830 1.00 0.00 C ATOM 1738 CD PRO A 109 -5.924 -2.242 -14.885 1.00 0.00 C ATOM 0 HA PRO A 109 -4.495 -3.442 -12.138 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.158 -1.349 -11.665 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.636 -1.089 -12.494 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.428 -1.246 -13.669 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.099 -0.205 -14.142 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.769 -2.565 -15.494 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.180 -1.828 -15.566 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.097 -5.052 -11.499 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.810 -6.146 -10.831 1.00 0.00 C ATOM 1748 C CYS A 110 -8.334 -5.942 -10.630 1.00 0.00 C ATOM 1749 O CYS A 110 -8.802 -4.868 -10.282 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.070 -6.541 -9.556 1.00 0.00 C ATOM 1751 SG CYS A 110 -6.720 -8.021 -8.741 1.00 0.00 S ATOM 0 H CYS A 110 -5.096 -5.247 -11.517 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.794 -6.987 -11.524 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -5.020 -6.705 -9.796 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.110 -5.708 -8.854 1.00 0.00 H new ATOM 0 HG CYS A 110 -5.732 -8.749 -8.312 1.00 0.00 H new ATOM 1757 N VAL A 111 -9.074 -7.051 -10.863 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.532 -7.034 -10.722 1.00 0.00 C ATOM 1759 C VAL A 111 -10.899 -6.979 -9.220 1.00 0.00 C ATOM 1760 O VAL A 111 -10.695 -5.963 -8.574 1.00 0.00 O ATOM 1761 CB VAL A 111 -11.172 -8.194 -11.523 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -11.190 -7.868 -13.022 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -10.471 -9.547 -11.306 1.00 0.00 C ATOM 0 H VAL A 111 -8.685 -7.951 -11.145 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.959 -6.134 -11.165 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.189 -8.292 -11.145 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.643 -8.695 -13.569 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -11.770 -6.960 -13.190 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.169 -7.717 -13.374 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.971 -10.315 -11.897 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.429 -9.471 -11.617 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.516 -9.815 -10.250 1.00 0.00 H new