USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 534 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 52 ASN : amide:sc= -1.92 X(o=-2.7,f=-2.2!) USER MOD Set 1.2: A 54 GLN : amide:sc= -0.76 K(o=-2.7,f=-4) USER MOD Set 2.1: A 45 HIS : no HD1:sc= 0 K(o=-0.00087,f=-1.3) USER MOD Set 2.2: A 46 CYS SG : rot -108:sc=-0.000871 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -5.25! C(o=-5.2!,f=-10!) USER MOD Single : A 35 CYS SG : rot 68:sc= -1.49 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.1!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -2.79 K(o=-2.8,f=-7.7!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.52 K(o=-1.5,f=-5!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00644 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= 0.143 (180deg=0.0431) USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0578) USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 18 9.917 0.319 1.049 1.00 0.00 N ATOM 194 CA ARG A 18 8.640 0.930 0.700 1.00 0.00 C ATOM 195 C ARG A 18 8.586 1.267 -0.788 1.00 0.00 C ATOM 196 O ARG A 18 9.465 1.952 -1.310 1.00 0.00 O ATOM 197 CB ARG A 18 8.413 2.196 1.528 1.00 0.00 C ATOM 198 CG ARG A 18 8.452 1.957 3.029 1.00 0.00 C ATOM 199 CD ARG A 18 7.254 1.144 3.495 1.00 0.00 C ATOM 200 NE ARG A 18 6.068 1.975 3.684 1.00 0.00 N ATOM 201 CZ ARG A 18 5.069 1.656 4.498 1.00 0.00 C ATOM 202 NH1 ARG A 18 5.113 0.529 5.196 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.023 2.464 4.616 1.00 0.00 N ATOM 0 HA ARG A 18 7.850 0.212 0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.173 2.932 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.447 2.626 1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.372 1.435 3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.469 2.914 3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.038 0.365 2.764 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.498 0.643 4.432 1.00 0.00 H new ATOM 0 HE ARG A 18 6.004 2.849 3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.915 -0.094 5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.344 0.286 5.821 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.986 3.332 4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.256 2.218 5.242 1.00 0.00 H new ATOM 217 N GLU A 19 7.550 0.779 -1.463 1.00 0.00 N ATOM 218 CA GLU A 19 7.384 1.027 -2.890 1.00 0.00 C ATOM 219 C GLU A 19 6.343 2.116 -3.135 1.00 0.00 C ATOM 220 O GLU A 19 5.433 2.314 -2.330 1.00 0.00 O ATOM 221 CB GLU A 19 6.971 -0.259 -3.609 1.00 0.00 C ATOM 222 CG GLU A 19 7.912 -1.425 -3.358 1.00 0.00 C ATOM 223 CD GLU A 19 9.145 -1.381 -4.241 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.550 -0.270 -4.640 1.00 0.00 O ATOM 225 OE2 GLU A 19 9.704 -2.459 -4.532 1.00 0.00 O ATOM 0 H GLU A 19 6.814 0.210 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 19 8.341 1.366 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.967 -0.538 -3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.922 -0.067 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.219 -1.421 -2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.379 -2.360 -3.530 1.00 0.00 H new ATOM 232 N THR A 20 6.486 2.821 -4.253 1.00 0.00 N ATOM 233 CA THR A 20 5.561 3.891 -4.605 1.00 0.00 C ATOM 234 C THR A 20 4.951 3.660 -5.983 1.00 0.00 C ATOM 235 O THR A 20 5.638 3.240 -6.913 1.00 0.00 O ATOM 236 CB THR A 20 6.258 5.265 -4.588 1.00 0.00 C ATOM 237 OG1 THR A 20 7.189 5.355 -5.672 1.00 0.00 O ATOM 238 CG2 THR A 20 6.983 5.487 -3.269 1.00 0.00 C ATOM 0 H THR A 20 7.234 2.670 -4.930 1.00 0.00 H new ATOM 0 HA THR A 20 4.770 3.884 -3.855 1.00 0.00 H new ATOM 0 HB THR A 20 5.496 6.037 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.627 6.232 -5.655 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.468 6.463 -3.280 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.266 5.447 -2.449 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.735 4.710 -3.132 1.00 0.00 H new ATOM 246 N GLY A 21 3.657 3.939 -6.107 1.00 0.00 N ATOM 247 CA GLY A 21 2.977 3.755 -7.376 1.00 0.00 C ATOM 248 C GLY A 21 1.855 4.754 -7.582 1.00 0.00 C ATOM 249 O GLY A 21 2.027 5.950 -7.346 1.00 0.00 O ATOM 0 H GLY A 21 3.068 4.289 -5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.698 3.850 -8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.573 2.744 -7.425 1.00 0.00 H new ATOM 253 N VAL A 22 0.702 4.263 -8.026 1.00 0.00 N ATOM 254 CA VAL A 22 -0.452 5.120 -8.264 1.00 0.00 C ATOM 255 C VAL A 22 -1.755 4.346 -8.099 1.00 0.00 C ATOM 256 O VAL A 22 -1.810 3.142 -8.352 1.00 0.00 O ATOM 257 CB VAL A 22 -0.411 5.738 -9.674 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.749 4.693 -10.726 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.360 6.924 -9.765 1.00 0.00 C ATOM 0 H VAL A 22 0.543 3.276 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.411 5.919 -7.523 1.00 0.00 H new ATOM 0 HB VAL A 22 0.601 6.096 -9.864 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.715 5.149 -11.716 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.026 3.879 -10.676 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.749 4.301 -10.541 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.318 7.348 -10.768 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.377 6.593 -9.553 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.066 7.682 -9.038 1.00 0.00 H new ATOM 269 N ILE A 23 -2.803 5.045 -7.674 1.00 0.00 N ATOM 270 CA ILE A 23 -4.106 4.423 -7.477 1.00 0.00 C ATOM 271 C ILE A 23 -4.845 4.264 -8.802 1.00 0.00 C ATOM 272 O ILE A 23 -5.535 5.178 -9.252 1.00 0.00 O ATOM 273 CB ILE A 23 -4.980 5.243 -6.510 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.323 5.313 -5.129 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.372 4.636 -6.410 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.364 4.003 -4.374 1.00 0.00 C ATOM 0 H ILE A 23 -2.774 6.042 -7.460 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.924 3.439 -7.045 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.074 6.257 -6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.285 5.624 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.822 6.080 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.978 5.227 -5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.839 4.633 -7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.297 3.613 -6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.881 4.126 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.401 3.700 -4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.840 3.237 -4.946 1.00 0.00 H new ATOM 288 N GLU A 24 -4.697 3.096 -9.419 1.00 0.00 N ATOM 289 CA GLU A 24 -5.352 2.818 -10.692 1.00 0.00 C ATOM 290 C GLU A 24 -6.864 2.711 -10.514 1.00 0.00 C ATOM 291 O GLU A 24 -7.633 3.289 -11.282 1.00 0.00 O ATOM 292 CB GLU A 24 -4.806 1.524 -11.299 1.00 0.00 C ATOM 293 CG GLU A 24 -5.118 1.366 -12.778 1.00 0.00 C ATOM 294 CD GLU A 24 -5.088 -0.081 -13.229 1.00 0.00 C ATOM 295 OE1 GLU A 24 -5.887 -0.884 -12.703 1.00 0.00 O ATOM 296 OE2 GLU A 24 -4.266 -0.410 -14.110 1.00 0.00 O ATOM 0 H GLU A 24 -4.130 2.328 -9.059 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.141 3.646 -11.369 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.725 1.495 -11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.221 0.675 -10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.102 1.787 -12.985 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.397 1.939 -13.361 1.00 0.00 H new ATOM 303 N LYS A 25 -7.282 1.968 -9.496 1.00 0.00 N ATOM 304 CA LYS A 25 -8.701 1.784 -9.214 1.00 0.00 C ATOM 305 C LYS A 25 -8.966 1.813 -7.712 1.00 0.00 C ATOM 306 O LYS A 25 -8.091 1.486 -6.910 1.00 0.00 O ATOM 307 CB LYS A 25 -9.192 0.460 -9.804 1.00 0.00 C ATOM 308 CG LYS A 25 -10.617 0.518 -10.327 1.00 0.00 C ATOM 309 CD LYS A 25 -11.621 0.129 -9.254 1.00 0.00 C ATOM 310 CE LYS A 25 -13.002 0.691 -9.554 1.00 0.00 C ATOM 311 NZ LYS A 25 -13.686 -0.068 -10.637 1.00 0.00 N ATOM 0 H LYS A 25 -6.658 1.483 -8.851 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.247 2.606 -9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.528 0.165 -10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.125 -0.315 -9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.835 1.525 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.719 -0.150 -11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.677 -0.957 -9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.280 0.495 -8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.610 0.662 -8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.913 1.738 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.624 0.346 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.118 -0.019 -11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.794 -1.062 -10.350 1.00 0.00 H new ATOM 325 N LEU A 26 -10.179 2.206 -7.338 1.00 0.00 N ATOM 326 CA LEU A 26 -10.560 2.276 -5.932 1.00 0.00 C ATOM 327 C LEU A 26 -12.015 1.859 -5.740 1.00 0.00 C ATOM 328 O LEU A 26 -12.888 2.234 -6.524 1.00 0.00 O ATOM 329 CB LEU A 26 -10.350 3.694 -5.396 1.00 0.00 C ATOM 330 CG LEU A 26 -10.242 3.828 -3.877 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.788 3.761 -3.437 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.883 5.127 -3.410 1.00 0.00 C ATOM 0 H LEU A 26 -10.915 2.481 -7.989 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.927 1.585 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.441 4.099 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.177 4.316 -5.738 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.777 2.996 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.731 3.858 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.360 2.805 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.229 4.572 -3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.797 5.206 -2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.376 5.971 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.936 5.135 -3.692 1.00 0.00 H new ATOM 344 N LEU A 27 -12.269 1.083 -4.692 1.00 0.00 N ATOM 345 CA LEU A 27 -13.619 0.616 -4.395 1.00 0.00 C ATOM 346 C LEU A 27 -13.982 0.891 -2.940 1.00 0.00 C ATOM 347 O LEU A 27 -13.222 1.526 -2.208 1.00 0.00 O ATOM 348 CB LEU A 27 -13.738 -0.881 -4.689 1.00 0.00 C ATOM 349 CG LEU A 27 -13.431 -1.309 -6.125 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.957 -1.651 -6.276 1.00 0.00 C ATOM 351 CD2 LEU A 27 -14.299 -2.494 -6.524 1.00 0.00 C ATOM 0 H LEU A 27 -11.558 0.764 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.315 1.161 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.065 -1.417 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.751 -1.200 -4.445 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.659 -0.476 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.757 -1.953 -7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.354 -0.777 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.702 -2.468 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.068 -2.786 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.101 -3.331 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.350 -2.215 -6.455 1.00 0.00 H new ATOM 363 N THR A 28 -15.148 0.406 -2.525 1.00 0.00 N ATOM 364 CA THR A 28 -15.613 0.598 -1.157 1.00 0.00 C ATOM 365 C THR A 28 -14.923 -0.369 -0.201 1.00 0.00 C ATOM 366 O THR A 28 -14.750 -0.072 0.981 1.00 0.00 O ATOM 367 CB THR A 28 -17.137 0.409 -1.049 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.811 1.411 -1.819 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.591 0.487 0.401 1.00 0.00 C ATOM 0 H THR A 28 -15.788 -0.123 -3.117 1.00 0.00 H new ATOM 0 HA THR A 28 -15.361 1.621 -0.879 1.00 0.00 H new ATOM 0 HB THR A 28 -17.387 -0.578 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.780 1.283 -1.746 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.671 0.351 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.099 -0.295 0.979 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.329 1.462 0.812 1.00 0.00 H new ATOM 377 N SER A 29 -14.531 -1.528 -0.721 1.00 0.00 N ATOM 378 CA SER A 29 -13.862 -2.541 0.087 1.00 0.00 C ATOM 379 C SER A 29 -12.347 -2.374 0.024 1.00 0.00 C ATOM 380 O SER A 29 -11.661 -2.441 1.044 1.00 0.00 O ATOM 381 CB SER A 29 -14.253 -3.942 -0.388 1.00 0.00 C ATOM 382 OG SER A 29 -15.570 -4.270 0.018 1.00 0.00 O ATOM 0 H SER A 29 -14.665 -1.789 -1.698 1.00 0.00 H new ATOM 0 HA SER A 29 -14.180 -2.414 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.181 -3.994 -1.474 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.552 -4.674 0.014 1.00 0.00 H new ATOM 0 HG SER A 29 -15.796 -5.169 -0.300 1.00 0.00 H new ATOM 388 N TYR A 30 -11.832 -2.156 -1.181 1.00 0.00 N ATOM 389 CA TYR A 30 -10.398 -1.982 -1.379 1.00 0.00 C ATOM 390 C TYR A 30 -10.114 -1.254 -2.689 1.00 0.00 C ATOM 391 O TYR A 30 -11.032 -0.815 -3.381 1.00 0.00 O ATOM 392 CB TYR A 30 -9.693 -3.338 -1.372 1.00 0.00 C ATOM 393 CG TYR A 30 -10.447 -4.417 -2.116 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.057 -4.150 -3.336 1.00 0.00 C ATOM 395 CD2 TYR A 30 -10.551 -5.702 -1.599 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.748 -5.132 -4.019 1.00 0.00 C ATOM 397 CE2 TYR A 30 -11.239 -6.691 -2.276 1.00 0.00 C ATOM 398 CZ TYR A 30 -11.836 -6.401 -3.485 1.00 0.00 C ATOM 399 OH TYR A 30 -12.523 -7.383 -4.162 1.00 0.00 O ATOM 0 H TYR A 30 -12.386 -2.096 -2.035 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.014 -1.377 -0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.704 -3.226 -1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.545 -3.656 -0.340 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.990 -3.158 -3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.086 -5.932 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.217 -4.908 -4.966 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.309 -7.685 -1.861 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.489 -8.218 -3.650 1.00 0.00 H new ATOM 409 N GLY A 31 -8.833 -1.130 -3.025 1.00 0.00 N ATOM 410 CA GLY A 31 -8.449 -0.456 -4.251 1.00 0.00 C ATOM 411 C GLY A 31 -7.173 -1.018 -4.846 1.00 0.00 C ATOM 412 O GLY A 31 -6.402 -1.689 -4.159 1.00 0.00 O ATOM 0 H GLY A 31 -8.055 -1.485 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.256 -0.545 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.316 0.607 -4.051 1.00 0.00 H new ATOM 416 N PHE A 32 -6.948 -0.744 -6.127 1.00 0.00 N ATOM 417 CA PHE A 32 -5.757 -1.229 -6.815 1.00 0.00 C ATOM 418 C PHE A 32 -4.735 -0.109 -6.985 1.00 0.00 C ATOM 419 O PHE A 32 -5.095 1.061 -7.114 1.00 0.00 O ATOM 420 CB PHE A 32 -6.132 -1.806 -8.181 1.00 0.00 C ATOM 421 CG PHE A 32 -7.007 -3.024 -8.099 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.367 -2.901 -7.867 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.469 -4.291 -8.253 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.174 -4.020 -7.790 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.271 -5.414 -8.177 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.626 -5.278 -7.946 1.00 0.00 C ATOM 0 H PHE A 32 -7.575 -0.189 -6.709 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.310 -2.016 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.644 -1.039 -8.762 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.220 -2.060 -8.722 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.801 -1.920 -7.745 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.410 -4.403 -8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.233 -3.911 -7.608 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.839 -6.396 -8.298 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.256 -6.154 -7.888 1.00 0.00 H new ATOM 436 N ILE A 33 -3.458 -0.477 -6.984 1.00 0.00 N ATOM 437 CA ILE A 33 -2.383 0.495 -7.140 1.00 0.00 C ATOM 438 C ILE A 33 -1.419 0.077 -8.245 1.00 0.00 C ATOM 439 O ILE A 33 -0.726 -0.934 -8.127 1.00 0.00 O ATOM 440 CB ILE A 33 -1.595 0.677 -5.829 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.484 1.315 -4.759 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.355 1.525 -6.069 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.086 0.949 -3.346 1.00 0.00 C ATOM 0 H ILE A 33 -3.143 -1.441 -6.877 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.851 1.442 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.277 -0.304 -5.474 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.449 2.399 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.517 1.010 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.191 1.644 -5.133 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.285 1.034 -6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.651 2.505 -6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.759 1.436 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.148 -0.132 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.064 1.278 -3.159 1.00 0.00 H new ATOM 455 N GLN A 34 -1.379 0.862 -9.316 1.00 0.00 N ATOM 456 CA GLN A 34 -0.499 0.574 -10.442 1.00 0.00 C ATOM 457 C GLN A 34 0.916 1.074 -10.169 1.00 0.00 C ATOM 458 O GLN A 34 1.194 2.269 -10.277 1.00 0.00 O ATOM 459 CB GLN A 34 -1.042 1.217 -11.719 1.00 0.00 C ATOM 460 CG GLN A 34 -0.097 1.107 -12.905 1.00 0.00 C ATOM 461 CD GLN A 34 -0.408 -0.084 -13.791 1.00 0.00 C ATOM 462 OE1 GLN A 34 -1.057 0.053 -14.828 1.00 0.00 O ATOM 463 NE2 GLN A 34 0.055 -1.260 -13.386 1.00 0.00 N ATOM 0 H GLN A 34 -1.946 1.703 -9.428 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.464 -0.507 -10.575 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.991 0.748 -11.977 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.249 2.270 -11.526 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.155 2.020 -13.497 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.928 1.027 -12.542 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.589 -1.327 -12.519 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.123 -2.097 -13.941 1.00 0.00 H new ATOM 472 N CYS A 35 1.805 0.153 -9.814 1.00 0.00 N ATOM 473 CA CYS A 35 3.192 0.501 -9.524 1.00 0.00 C ATOM 474 C CYS A 35 3.787 1.343 -10.648 1.00 0.00 C ATOM 475 O CYS A 35 3.440 1.172 -11.816 1.00 0.00 O ATOM 476 CB CYS A 35 4.025 -0.765 -9.322 1.00 0.00 C ATOM 477 SG CYS A 35 3.191 -2.054 -8.368 1.00 0.00 S ATOM 0 H CYS A 35 1.591 -0.840 -9.720 1.00 0.00 H new ATOM 0 HA CYS A 35 3.210 1.089 -8.606 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.296 -1.168 -10.298 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.954 -0.499 -8.818 1.00 0.00 H new ATOM 0 HG CYS A 35 2.189 -2.521 -9.052 1.00 0.00 H new ATOM 483 N SER A 36 4.685 2.254 -10.285 1.00 0.00 N ATOM 484 CA SER A 36 5.325 3.127 -11.262 1.00 0.00 C ATOM 485 C SER A 36 6.775 2.712 -11.494 1.00 0.00 C ATOM 486 O SER A 36 7.455 3.255 -12.364 1.00 0.00 O ATOM 487 CB SER A 36 5.268 4.582 -10.792 1.00 0.00 C ATOM 488 OG SER A 36 3.973 5.126 -10.976 1.00 0.00 O ATOM 0 H SER A 36 4.985 2.406 -9.322 1.00 0.00 H new ATOM 0 HA SER A 36 4.784 3.035 -12.204 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.543 4.638 -9.739 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.997 5.175 -11.344 1.00 0.00 H new ATOM 0 HG SER A 36 3.962 6.056 -10.667 1.00 0.00 H new ATOM 494 N GLU A 37 7.240 1.745 -10.709 1.00 0.00 N ATOM 495 CA GLU A 37 8.609 1.258 -10.827 1.00 0.00 C ATOM 496 C GLU A 37 8.646 -0.096 -11.530 1.00 0.00 C ATOM 497 O GLU A 37 9.571 -0.389 -12.288 1.00 0.00 O ATOM 498 CB GLU A 37 9.255 1.144 -9.445 1.00 0.00 C ATOM 499 CG GLU A 37 9.090 2.391 -8.592 1.00 0.00 C ATOM 500 CD GLU A 37 10.235 2.587 -7.617 1.00 0.00 C ATOM 501 OE1 GLU A 37 11.356 2.892 -8.074 1.00 0.00 O ATOM 502 OE2 GLU A 37 10.010 2.435 -6.398 1.00 0.00 O ATOM 0 H GLU A 37 6.689 1.284 -9.985 1.00 0.00 H new ATOM 0 HA GLU A 37 9.172 1.975 -11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.821 0.294 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.318 0.935 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.017 3.264 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.153 2.327 -8.038 1.00 0.00 H new ATOM 509 N ARG A 38 7.633 -0.917 -11.274 1.00 0.00 N ATOM 510 CA ARG A 38 7.549 -2.240 -11.880 1.00 0.00 C ATOM 511 C ARG A 38 6.458 -2.282 -12.946 1.00 0.00 C ATOM 512 O ARG A 38 6.410 -3.202 -13.762 1.00 0.00 O ATOM 513 CB ARG A 38 7.273 -3.298 -10.810 1.00 0.00 C ATOM 514 CG ARG A 38 5.963 -3.087 -10.068 1.00 0.00 C ATOM 515 CD ARG A 38 5.609 -4.291 -9.210 1.00 0.00 C ATOM 516 NE ARG A 38 5.755 -5.547 -9.942 1.00 0.00 N ATOM 517 CZ ARG A 38 5.893 -6.729 -9.352 1.00 0.00 C ATOM 518 NH1 ARG A 38 5.903 -6.817 -8.029 1.00 0.00 N ATOM 519 NH2 ARG A 38 6.022 -7.827 -10.086 1.00 0.00 N ATOM 0 H ARG A 38 6.859 -0.689 -10.651 1.00 0.00 H new ATOM 0 HA ARG A 38 8.506 -2.455 -12.356 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.261 -4.282 -11.279 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.092 -3.298 -10.091 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.039 -2.200 -9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.163 -2.902 -10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.250 -4.309 -8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.582 -4.195 -8.856 1.00 0.00 H new ATOM 0 HE ARG A 38 5.751 -5.514 -10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.805 -5.975 -7.461 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.009 -7.726 -7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.015 -7.764 -11.104 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.128 -8.734 -9.632 1.00 0.00 H new ATOM 533 N GLN A 39 5.584 -1.281 -12.930 1.00 0.00 N ATOM 534 CA GLN A 39 4.493 -1.205 -13.894 1.00 0.00 C ATOM 535 C GLN A 39 3.537 -2.382 -13.729 1.00 0.00 C ATOM 536 O GLN A 39 3.092 -2.975 -14.711 1.00 0.00 O ATOM 537 CB GLN A 39 5.045 -1.177 -15.320 1.00 0.00 C ATOM 538 CG GLN A 39 5.342 0.223 -15.831 1.00 0.00 C ATOM 539 CD GLN A 39 5.376 0.298 -17.344 1.00 0.00 C ATOM 540 OE1 GLN A 39 4.862 -0.584 -18.033 1.00 0.00 O ATOM 541 NE2 GLN A 39 5.984 1.354 -17.872 1.00 0.00 N ATOM 0 H GLN A 39 5.610 -0.512 -12.261 1.00 0.00 H new ATOM 0 HA GLN A 39 3.941 -0.284 -13.708 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.959 -1.770 -15.358 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.327 -1.654 -15.988 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.585 0.911 -15.454 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.301 0.555 -15.433 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.397 2.062 -17.264 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.038 1.457 -18.885 1.00 0.00 H new ATOM 550 N ALA A 40 3.226 -2.715 -12.480 1.00 0.00 N ATOM 551 CA ALA A 40 2.322 -3.820 -12.187 1.00 0.00 C ATOM 552 C ALA A 40 1.120 -3.346 -11.378 1.00 0.00 C ATOM 553 O ALA A 40 1.248 -2.494 -10.498 1.00 0.00 O ATOM 554 CB ALA A 40 3.061 -4.922 -11.442 1.00 0.00 C ATOM 0 H ALA A 40 3.587 -2.235 -11.655 1.00 0.00 H new ATOM 0 HA ALA A 40 1.955 -4.218 -13.133 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.374 -5.741 -11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.883 -5.288 -12.056 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.455 -4.527 -10.506 1.00 0.00 H new ATOM 560 N ARG A 41 -0.048 -3.902 -11.681 1.00 0.00 N ATOM 561 CA ARG A 41 -1.274 -3.534 -10.983 1.00 0.00 C ATOM 562 C ARG A 41 -1.376 -4.258 -9.644 1.00 0.00 C ATOM 563 O ARG A 41 -1.773 -5.423 -9.584 1.00 0.00 O ATOM 564 CB ARG A 41 -2.495 -3.860 -11.845 1.00 0.00 C ATOM 565 CG ARG A 41 -2.831 -2.778 -12.858 1.00 0.00 C ATOM 566 CD ARG A 41 -3.557 -3.352 -14.065 1.00 0.00 C ATOM 567 NE ARG A 41 -2.633 -3.932 -15.036 1.00 0.00 N ATOM 568 CZ ARG A 41 -1.966 -3.216 -15.934 1.00 0.00 C ATOM 569 NH1 ARG A 41 -2.121 -1.900 -15.986 1.00 0.00 N ATOM 570 NH2 ARG A 41 -1.142 -3.816 -16.784 1.00 0.00 N ATOM 0 H ARG A 41 -0.171 -4.609 -12.405 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.246 -2.461 -10.795 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.317 -4.797 -12.372 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.356 -4.018 -11.196 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.452 -2.017 -12.386 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.915 -2.285 -13.183 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.262 -4.115 -13.735 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.140 -2.566 -14.545 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.492 -4.942 -15.024 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.754 -1.435 -15.335 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.607 -1.353 -16.677 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.020 -4.828 -16.748 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.630 -3.265 -17.473 1.00 0.00 H new ATOM 584 N LEU A 42 -1.014 -3.563 -8.572 1.00 0.00 N ATOM 585 CA LEU A 42 -1.063 -4.139 -7.233 1.00 0.00 C ATOM 586 C LEU A 42 -2.459 -4.004 -6.633 1.00 0.00 C ATOM 587 O LEU A 42 -3.273 -3.208 -7.102 1.00 0.00 O ATOM 588 CB LEU A 42 -0.038 -3.459 -6.325 1.00 0.00 C ATOM 589 CG LEU A 42 1.350 -4.100 -6.281 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.210 -3.439 -5.214 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.239 -5.596 -6.028 1.00 0.00 C ATOM 0 H LEU A 42 -0.683 -2.599 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.822 -5.199 -7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.072 -2.423 -6.647 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.438 -3.437 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 42 1.829 -3.950 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.194 -3.908 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.318 -2.378 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.735 -3.557 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.236 -6.035 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.740 -5.768 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.661 -6.058 -6.828 1.00 0.00 H new ATOM 603 N PHE A 43 -2.729 -4.786 -5.593 1.00 0.00 N ATOM 604 CA PHE A 43 -4.026 -4.752 -4.927 1.00 0.00 C ATOM 605 C PHE A 43 -3.872 -4.392 -3.453 1.00 0.00 C ATOM 606 O PHE A 43 -3.327 -5.167 -2.666 1.00 0.00 O ATOM 607 CB PHE A 43 -4.727 -6.106 -5.063 1.00 0.00 C ATOM 608 CG PHE A 43 -5.606 -6.445 -3.892 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.508 -5.519 -3.395 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.529 -7.691 -3.291 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.317 -5.829 -2.318 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.336 -8.007 -2.214 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.231 -7.075 -1.727 1.00 0.00 C ATOM 0 H PHE A 43 -2.067 -5.451 -5.193 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.634 -3.985 -5.408 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.329 -6.105 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.975 -6.886 -5.180 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.580 -4.544 -3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.831 -8.424 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.016 -5.098 -1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.267 -8.982 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.863 -7.320 -0.886 1.00 0.00 H new ATOM 623 N PHE A 44 -4.356 -3.210 -3.085 1.00 0.00 N ATOM 624 CA PHE A 44 -4.271 -2.745 -1.705 1.00 0.00 C ATOM 625 C PHE A 44 -5.634 -2.813 -1.024 1.00 0.00 C ATOM 626 O PHE A 44 -6.659 -2.492 -1.626 1.00 0.00 O ATOM 627 CB PHE A 44 -3.737 -1.312 -1.660 1.00 0.00 C ATOM 628 CG PHE A 44 -4.817 -0.268 -1.690 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.387 0.191 -0.514 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.262 0.253 -2.894 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.382 1.151 -0.539 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.256 1.213 -2.925 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.815 1.663 -1.746 1.00 0.00 C ATOM 0 H PHE A 44 -4.811 -2.557 -3.723 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.583 -3.399 -1.169 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.143 -1.183 -0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.068 -1.155 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.051 -0.205 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.827 -0.095 -3.819 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.820 1.500 0.385 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.595 1.610 -3.870 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.590 2.415 -1.768 1.00 0.00 H new ATOM 643 N HIS A 45 -5.638 -3.235 0.237 1.00 0.00 N ATOM 644 CA HIS A 45 -6.875 -3.346 1.002 1.00 0.00 C ATOM 645 C HIS A 45 -7.123 -2.083 1.821 1.00 0.00 C ATOM 646 O HIS A 45 -6.186 -1.473 2.338 1.00 0.00 O ATOM 647 CB HIS A 45 -6.821 -4.564 1.925 1.00 0.00 C ATOM 648 CG HIS A 45 -8.135 -5.270 2.063 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.309 -4.619 2.380 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.457 -6.577 1.923 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.296 -5.497 2.431 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.805 -6.692 2.157 1.00 0.00 N ATOM 0 H HIS A 45 -4.799 -3.505 0.750 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.698 -3.469 0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.079 -5.266 1.544 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.483 -4.247 2.912 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.780 -7.380 1.674 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.328 -5.275 2.658 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.340 -7.560 2.124 1.00 0.00 H new ATOM 661 N CYS A 46 -8.389 -1.695 1.934 1.00 0.00 N ATOM 662 CA CYS A 46 -8.759 -0.504 2.689 1.00 0.00 C ATOM 663 C CYS A 46 -8.181 -0.552 4.099 1.00 0.00 C ATOM 664 O CYS A 46 -8.129 0.462 4.795 1.00 0.00 O ATOM 665 CB CYS A 46 -10.281 -0.368 2.753 1.00 0.00 C ATOM 666 SG CYS A 46 -11.068 -1.448 3.971 1.00 0.00 S ATOM 0 H CYS A 46 -9.176 -2.188 1.512 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.345 0.364 2.176 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.533 0.667 2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.696 -0.585 1.769 1.00 0.00 H new ATOM 0 HG CYS A 46 -11.709 -2.399 3.358 1.00 0.00 H new ATOM 672 N SER A 47 -7.748 -1.738 4.516 1.00 0.00 N ATOM 673 CA SER A 47 -7.178 -1.920 5.846 1.00 0.00 C ATOM 674 C SER A 47 -5.718 -1.478 5.876 1.00 0.00 C ATOM 675 O SER A 47 -5.220 -1.017 6.903 1.00 0.00 O ATOM 676 CB SER A 47 -7.289 -3.384 6.275 1.00 0.00 C ATOM 677 OG SER A 47 -6.699 -3.588 7.547 1.00 0.00 O ATOM 0 H SER A 47 -7.781 -2.587 3.952 1.00 0.00 H new ATOM 0 HA SER A 47 -7.741 -1.301 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.338 -3.679 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.800 -4.021 5.537 1.00 0.00 H new ATOM 0 HG SER A 47 -6.784 -4.531 7.800 1.00 0.00 H new ATOM 683 N GLN A 48 -5.039 -1.623 4.743 1.00 0.00 N ATOM 684 CA GLN A 48 -3.636 -1.240 4.640 1.00 0.00 C ATOM 685 C GLN A 48 -3.465 0.262 4.837 1.00 0.00 C ATOM 686 O GLN A 48 -2.632 0.704 5.629 1.00 0.00 O ATOM 687 CB GLN A 48 -3.071 -1.655 3.280 1.00 0.00 C ATOM 688 CG GLN A 48 -3.384 -3.094 2.904 1.00 0.00 C ATOM 689 CD GLN A 48 -2.922 -4.085 3.954 1.00 0.00 C ATOM 690 OE1 GLN A 48 -2.040 -3.787 4.760 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.518 -5.272 3.951 1.00 0.00 N ATOM 0 H GLN A 48 -5.437 -2.003 3.884 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.086 -1.756 5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.471 -0.993 2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.990 -1.517 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.459 -3.201 2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.906 -3.329 1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.244 -5.476 3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.249 -5.979 4.635 1.00 0.00 H new ATOM 700 N TYR A 49 -4.260 1.043 4.114 1.00 0.00 N ATOM 701 CA TYR A 49 -4.195 2.497 4.208 1.00 0.00 C ATOM 702 C TYR A 49 -4.270 2.952 5.662 1.00 0.00 C ATOM 703 O TYR A 49 -5.231 2.654 6.369 1.00 0.00 O ATOM 704 CB TYR A 49 -5.331 3.132 3.404 1.00 0.00 C ATOM 705 CG TYR A 49 -5.179 4.624 3.216 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.947 5.183 2.899 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.268 5.476 3.355 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.803 6.546 2.727 1.00 0.00 C ATOM 709 CE2 TYR A 49 -6.134 6.840 3.183 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.900 7.370 2.870 1.00 0.00 C ATOM 711 OH TYR A 49 -4.761 8.729 2.699 1.00 0.00 O ATOM 0 H TYR A 49 -4.957 0.694 3.456 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.240 2.821 3.793 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.383 2.654 2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.277 2.932 3.907 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.087 4.540 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.236 5.065 3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.838 6.964 2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.991 7.488 3.293 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.628 9.166 2.833 1.00 0.00 H new ATOM 721 N ASN A 50 -3.247 3.679 6.101 1.00 0.00 N ATOM 722 CA ASN A 50 -3.195 4.177 7.470 1.00 0.00 C ATOM 723 C ASN A 50 -3.900 5.525 7.586 1.00 0.00 C ATOM 724 O ASN A 50 -3.793 6.208 8.603 1.00 0.00 O ATOM 725 CB ASN A 50 -1.743 4.307 7.933 1.00 0.00 C ATOM 726 CG ASN A 50 -0.930 3.060 7.644 1.00 0.00 C ATOM 727 OD1 ASN A 50 -0.292 2.950 6.596 1.00 0.00 O ATOM 728 ND2 ASN A 50 -0.949 2.112 8.573 1.00 0.00 N ATOM 0 H ASN A 50 -2.443 3.936 5.528 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.711 3.461 8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.282 5.161 7.437 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.723 4.511 9.004 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.421 1.250 8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.491 2.245 9.427 1.00 0.00 H new ATOM 735 N GLY A 51 -4.621 5.902 6.534 1.00 0.00 N ATOM 736 CA GLY A 51 -5.333 7.166 6.538 1.00 0.00 C ATOM 737 C GLY A 51 -6.834 6.987 6.416 1.00 0.00 C ATOM 738 O GLY A 51 -7.414 6.107 7.051 1.00 0.00 O ATOM 0 H GLY A 51 -4.724 5.354 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.108 7.703 7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.976 7.783 5.714 1.00 0.00 H new ATOM 742 N ASN A 52 -7.464 7.825 5.599 1.00 0.00 N ATOM 743 CA ASN A 52 -8.907 7.756 5.398 1.00 0.00 C ATOM 744 C ASN A 52 -9.244 7.632 3.916 1.00 0.00 C ATOM 745 O ASN A 52 -9.163 8.605 3.165 1.00 0.00 O ATOM 746 CB ASN A 52 -9.584 8.997 5.984 1.00 0.00 C ATOM 747 CG ASN A 52 -11.049 8.762 6.298 1.00 0.00 C ATOM 748 OD1 ASN A 52 -11.911 9.556 5.921 1.00 0.00 O ATOM 749 ND2 ASN A 52 -11.337 7.667 6.992 1.00 0.00 N ATOM 0 H ASN A 52 -6.998 8.559 5.066 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.279 6.870 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.064 9.296 6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.494 9.824 5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -12.305 7.456 7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.590 7.037 7.284 1.00 0.00 H new ATOM 756 N LEU A 53 -9.623 6.428 3.500 1.00 0.00 N ATOM 757 CA LEU A 53 -9.974 6.175 2.107 1.00 0.00 C ATOM 758 C LEU A 53 -10.657 7.391 1.488 1.00 0.00 C ATOM 759 O LEU A 53 -10.350 7.780 0.362 1.00 0.00 O ATOM 760 CB LEU A 53 -10.890 4.954 2.005 1.00 0.00 C ATOM 761 CG LEU A 53 -10.195 3.612 1.774 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.464 3.611 0.440 1.00 0.00 C ATOM 763 CD2 LEU A 53 -9.232 3.307 2.912 1.00 0.00 C ATOM 0 H LEU A 53 -9.695 5.612 4.108 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.054 5.978 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.474 4.885 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.595 5.120 1.190 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.955 2.831 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.976 2.648 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.177 3.782 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.714 4.402 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.746 2.348 2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.477 4.091 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.782 3.263 3.852 1.00 0.00 H new ATOM 775 N GLN A 54 -11.583 7.986 2.233 1.00 0.00 N ATOM 776 CA GLN A 54 -12.308 9.158 1.758 1.00 0.00 C ATOM 777 C GLN A 54 -11.357 10.165 1.121 1.00 0.00 C ATOM 778 O GLN A 54 -11.603 10.656 0.019 1.00 0.00 O ATOM 779 CB GLN A 54 -13.069 9.816 2.911 1.00 0.00 C ATOM 780 CG GLN A 54 -14.354 9.094 3.281 1.00 0.00 C ATOM 781 CD GLN A 54 -14.114 7.903 4.188 1.00 0.00 C ATOM 782 OE1 GLN A 54 -14.008 8.047 5.406 1.00 0.00 O ATOM 783 NE2 GLN A 54 -14.028 6.717 3.597 1.00 0.00 N ATOM 0 H GLN A 54 -11.849 7.676 3.168 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.021 8.830 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.421 9.858 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.305 10.845 2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -15.029 9.792 3.776 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.853 8.759 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.122 6.644 2.584 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.868 5.879 4.156 1.00 0.00 H new ATOM 792 N ASP A 55 -10.269 10.469 1.821 1.00 0.00 N ATOM 793 CA ASP A 55 -9.280 11.418 1.323 1.00 0.00 C ATOM 794 C ASP A 55 -8.597 10.883 0.068 1.00 0.00 C ATOM 795 O ASP A 55 -8.299 11.637 -0.859 1.00 0.00 O ATOM 796 CB ASP A 55 -8.235 11.711 2.401 1.00 0.00 C ATOM 797 CG ASP A 55 -7.429 12.959 2.102 1.00 0.00 C ATOM 798 OD1 ASP A 55 -7.275 13.294 0.909 1.00 0.00 O ATOM 799 OD2 ASP A 55 -6.952 13.601 3.061 1.00 0.00 O ATOM 0 H ASP A 55 -10.050 10.072 2.735 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.797 12.343 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.733 11.826 3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.561 10.859 2.490 1.00 0.00 H new ATOM 804 N LEU A 56 -8.351 9.577 0.045 1.00 0.00 N ATOM 805 CA LEU A 56 -7.702 8.940 -1.095 1.00 0.00 C ATOM 806 C LEU A 56 -8.575 9.038 -2.343 1.00 0.00 C ATOM 807 O LEU A 56 -9.765 9.344 -2.259 1.00 0.00 O ATOM 808 CB LEU A 56 -7.402 7.474 -0.783 1.00 0.00 C ATOM 809 CG LEU A 56 -6.175 6.878 -1.474 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.910 7.596 -1.030 1.00 0.00 C ATOM 811 CD2 LEU A 56 -6.073 5.387 -1.187 1.00 0.00 C ATOM 0 H LEU A 56 -8.592 8.939 0.804 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.765 9.463 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.273 7.372 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.273 6.879 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.286 7.014 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.048 7.158 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.982 8.653 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.793 7.493 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.194 4.980 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.985 5.229 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.966 4.883 -1.556 1.00 0.00 H new ATOM 823 N LYS A 57 -7.977 8.774 -3.499 1.00 0.00 N ATOM 824 CA LYS A 57 -8.699 8.828 -4.765 1.00 0.00 C ATOM 825 C LYS A 57 -7.882 8.193 -5.885 1.00 0.00 C ATOM 826 O LYS A 57 -6.667 8.032 -5.767 1.00 0.00 O ATOM 827 CB LYS A 57 -9.034 10.278 -5.123 1.00 0.00 C ATOM 828 CG LYS A 57 -7.842 11.215 -5.045 1.00 0.00 C ATOM 829 CD LYS A 57 -8.190 12.604 -5.552 1.00 0.00 C ATOM 830 CE LYS A 57 -8.232 12.649 -7.072 1.00 0.00 C ATOM 831 NZ LYS A 57 -8.067 14.035 -7.591 1.00 0.00 N ATOM 0 H LYS A 57 -6.993 8.520 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.625 8.265 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.444 10.309 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.813 10.638 -4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.496 11.279 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.019 10.808 -5.633 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.157 12.907 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.455 13.321 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.444 12.014 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.180 12.241 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.101 14.023 -8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.834 14.636 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.151 14.416 -7.279 1.00 0.00 H new ATOM 845 N VAL A 58 -8.556 7.834 -6.973 1.00 0.00 N ATOM 846 CA VAL A 58 -7.892 7.219 -8.116 1.00 0.00 C ATOM 847 C VAL A 58 -7.078 8.245 -8.896 1.00 0.00 C ATOM 848 O VAL A 58 -7.627 9.190 -9.460 1.00 0.00 O ATOM 849 CB VAL A 58 -8.908 6.557 -9.066 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.246 6.192 -10.386 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.525 5.329 -8.413 1.00 0.00 C ATOM 0 H VAL A 58 -9.562 7.959 -7.087 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.224 6.454 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.705 7.271 -9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.979 5.726 -11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.856 7.093 -10.859 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.428 5.495 -10.202 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.240 4.874 -9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.741 4.610 -8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.037 5.623 -7.496 1.00 0.00 H new ATOM 861 N GLY A 59 -5.762 8.051 -8.924 1.00 0.00 N ATOM 862 CA GLY A 59 -4.893 8.967 -9.639 1.00 0.00 C ATOM 863 C GLY A 59 -4.040 9.804 -8.705 1.00 0.00 C ATOM 864 O GLY A 59 -3.585 10.887 -9.073 1.00 0.00 O ATOM 0 H GLY A 59 -5.283 7.276 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.245 8.401 -10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.498 9.626 -10.262 1.00 0.00 H new ATOM 868 N ASP A 60 -3.825 9.303 -7.494 1.00 0.00 N ATOM 869 CA ASP A 60 -3.022 10.012 -6.505 1.00 0.00 C ATOM 870 C ASP A 60 -1.862 9.145 -6.024 1.00 0.00 C ATOM 871 O ASP A 60 -2.050 7.983 -5.663 1.00 0.00 O ATOM 872 CB ASP A 60 -3.890 10.428 -5.316 1.00 0.00 C ATOM 873 CG ASP A 60 -4.755 11.634 -5.625 1.00 0.00 C ATOM 874 OD1 ASP A 60 -5.137 11.804 -6.802 1.00 0.00 O ATOM 875 OD2 ASP A 60 -5.049 12.409 -4.691 1.00 0.00 O ATOM 0 H ASP A 60 -4.196 8.408 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.613 10.905 -6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.527 9.593 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.249 10.653 -4.463 1.00 0.00 H new ATOM 880 N ASP A 61 -0.663 9.718 -6.025 1.00 0.00 N ATOM 881 CA ASP A 61 0.528 8.998 -5.590 1.00 0.00 C ATOM 882 C ASP A 61 0.380 8.524 -4.147 1.00 0.00 C ATOM 883 O ASP A 61 -0.141 9.246 -3.296 1.00 0.00 O ATOM 884 CB ASP A 61 1.765 9.888 -5.723 1.00 0.00 C ATOM 885 CG ASP A 61 2.268 9.969 -7.151 1.00 0.00 C ATOM 886 OD1 ASP A 61 2.424 8.906 -7.787 1.00 0.00 O ATOM 887 OD2 ASP A 61 2.505 11.097 -7.632 1.00 0.00 O ATOM 0 H ASP A 61 -0.490 10.678 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 61 0.648 8.124 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.528 10.891 -5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.558 9.501 -5.083 1.00 0.00 H new ATOM 892 N VAL A 62 0.840 7.307 -3.879 1.00 0.00 N ATOM 893 CA VAL A 62 0.759 6.737 -2.539 1.00 0.00 C ATOM 894 C VAL A 62 1.899 5.755 -2.290 1.00 0.00 C ATOM 895 O VAL A 62 2.299 5.013 -3.186 1.00 0.00 O ATOM 896 CB VAL A 62 -0.583 6.015 -2.317 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.666 7.010 -1.926 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.984 5.241 -3.563 1.00 0.00 C ATOM 0 H VAL A 62 1.273 6.696 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 62 0.838 7.567 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.463 5.305 -1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.607 6.482 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.380 7.516 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.788 7.746 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.935 4.737 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.087 5.930 -4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.218 4.501 -3.794 1.00 0.00 H new ATOM 908 N GLU A 63 2.417 5.756 -1.066 1.00 0.00 N ATOM 909 CA GLU A 63 3.511 4.865 -0.699 1.00 0.00 C ATOM 910 C GLU A 63 2.990 3.647 0.058 1.00 0.00 C ATOM 911 O GLU A 63 2.108 3.761 0.909 1.00 0.00 O ATOM 912 CB GLU A 63 4.539 5.609 0.156 1.00 0.00 C ATOM 913 CG GLU A 63 5.914 4.963 0.154 1.00 0.00 C ATOM 914 CD GLU A 63 6.845 5.568 1.188 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.498 6.629 1.748 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.918 4.981 1.436 1.00 0.00 O ATOM 0 H GLU A 63 2.097 6.364 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 63 3.991 4.523 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.628 6.633 -0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.174 5.664 1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.810 3.895 0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.359 5.068 -0.836 1.00 0.00 H new ATOM 923 N PHE A 64 3.542 2.480 -0.259 1.00 0.00 N ATOM 924 CA PHE A 64 3.133 1.240 0.388 1.00 0.00 C ATOM 925 C PHE A 64 4.305 0.268 0.491 1.00 0.00 C ATOM 926 O PHE A 64 5.401 0.548 0.007 1.00 0.00 O ATOM 927 CB PHE A 64 1.984 0.591 -0.385 1.00 0.00 C ATOM 928 CG PHE A 64 2.196 0.573 -1.872 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.905 1.689 -2.640 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.685 -0.560 -2.502 1.00 0.00 C ATOM 931 CE1 PHE A 64 2.100 1.677 -4.008 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.882 -0.578 -3.869 1.00 0.00 C ATOM 933 CZ PHE A 64 2.588 0.541 -4.624 1.00 0.00 C ATOM 0 H PHE A 64 4.274 2.368 -0.960 1.00 0.00 H new ATOM 0 HA PHE A 64 2.793 1.480 1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.852 -0.432 -0.033 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.060 1.126 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.521 2.579 -2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.915 -1.439 -1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.871 2.554 -4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.266 -1.467 -4.348 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.739 0.528 -5.693 1.00 0.00 H new ATOM 943 N GLU A 65 4.064 -0.876 1.125 1.00 0.00 N ATOM 944 CA GLU A 65 5.100 -1.889 1.292 1.00 0.00 C ATOM 945 C GLU A 65 4.678 -3.209 0.653 1.00 0.00 C ATOM 946 O GLU A 65 3.743 -3.864 1.114 1.00 0.00 O ATOM 947 CB GLU A 65 5.401 -2.102 2.777 1.00 0.00 C ATOM 948 CG GLU A 65 6.060 -3.437 3.079 1.00 0.00 C ATOM 949 CD GLU A 65 6.821 -3.429 4.391 1.00 0.00 C ATOM 950 OE1 GLU A 65 7.374 -2.367 4.748 1.00 0.00 O ATOM 951 OE2 GLU A 65 6.864 -4.482 5.059 1.00 0.00 O ATOM 0 H GLU A 65 3.162 -1.124 1.531 1.00 0.00 H new ATOM 0 HA GLU A 65 6.002 -1.535 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.050 -1.299 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.471 -2.029 3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.298 -4.215 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.743 -3.692 2.269 1.00 0.00 H new ATOM 958 N VAL A 66 5.374 -3.593 -0.412 1.00 0.00 N ATOM 959 CA VAL A 66 5.073 -4.834 -1.115 1.00 0.00 C ATOM 960 C VAL A 66 5.432 -6.048 -0.265 1.00 0.00 C ATOM 961 O VAL A 66 6.585 -6.225 0.128 1.00 0.00 O ATOM 962 CB VAL A 66 5.829 -4.918 -2.455 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.558 -6.249 -3.139 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.442 -3.757 -3.358 1.00 0.00 C ATOM 0 H VAL A 66 6.150 -3.062 -0.807 1.00 0.00 H new ATOM 0 HA VAL A 66 4.001 -4.835 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 66 6.898 -4.852 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.100 -6.290 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.890 -7.063 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.489 -6.349 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.985 -3.832 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.370 -3.790 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.693 -2.816 -2.868 1.00 0.00 H new ATOM 974 N SER A 67 4.436 -6.882 0.015 1.00 0.00 N ATOM 975 CA SER A 67 4.645 -8.079 0.821 1.00 0.00 C ATOM 976 C SER A 67 3.997 -9.295 0.167 1.00 0.00 C ATOM 977 O SER A 67 3.406 -9.194 -0.908 1.00 0.00 O ATOM 978 CB SER A 67 4.075 -7.878 2.227 1.00 0.00 C ATOM 979 OG SER A 67 4.802 -8.628 3.184 1.00 0.00 O ATOM 0 H SER A 67 3.476 -6.751 -0.304 1.00 0.00 H new ATOM 0 HA SER A 67 5.718 -8.256 0.893 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.108 -6.820 2.488 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.027 -8.178 2.244 1.00 0.00 H new ATOM 0 HG SER A 67 4.419 -8.481 4.074 1.00 0.00 H new ATOM 985 N SER A 68 4.114 -10.445 0.823 1.00 0.00 N ATOM 986 CA SER A 68 3.544 -11.683 0.304 1.00 0.00 C ATOM 987 C SER A 68 2.376 -12.147 1.169 1.00 0.00 C ATOM 988 O SER A 68 2.464 -12.161 2.397 1.00 0.00 O ATOM 989 CB SER A 68 4.613 -12.775 0.243 1.00 0.00 C ATOM 990 OG SER A 68 5.595 -12.473 -0.733 1.00 0.00 O ATOM 0 H SER A 68 4.598 -10.545 1.715 1.00 0.00 H new ATOM 0 HA SER A 68 3.174 -11.490 -0.703 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.086 -12.880 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.147 -13.732 0.010 1.00 0.00 H new ATOM 0 HG SER A 68 6.268 -13.185 -0.751 1.00 0.00 H new ATOM 996 N ASP A 69 1.281 -12.527 0.519 1.00 0.00 N ATOM 997 CA ASP A 69 0.094 -12.993 1.226 1.00 0.00 C ATOM 998 C ASP A 69 0.340 -14.361 1.856 1.00 0.00 C ATOM 999 O ASP A 69 1.350 -15.009 1.583 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.099 -13.064 0.272 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.394 -13.393 0.989 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.728 -12.689 1.965 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.074 -14.355 0.574 1.00 0.00 O ATOM 0 H ASP A 69 1.191 -12.521 -0.497 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.129 -12.281 2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.205 -12.110 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.907 -13.819 -0.490 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.591 -14.793 2.701 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.475 -16.082 3.372 1.00 0.00 C ATOM 1010 C ARG A 70 -1.445 -17.096 2.772 1.00 0.00 C ATOM 1011 O ARG A 70 -1.459 -18.263 3.164 1.00 0.00 O ATOM 1012 CB ARG A 70 -0.743 -15.928 4.870 1.00 0.00 C ATOM 1013 CG ARG A 70 -0.019 -14.749 5.500 1.00 0.00 C ATOM 1014 CD ARG A 70 1.482 -14.985 5.561 1.00 0.00 C ATOM 1015 NE ARG A 70 2.160 -14.510 4.358 1.00 0.00 N ATOM 1016 CZ ARG A 70 3.413 -14.823 4.049 1.00 0.00 C ATOM 1017 NH1 ARG A 70 4.121 -15.607 4.850 1.00 0.00 N ATOM 1018 NH2 ARG A 70 3.961 -14.351 2.936 1.00 0.00 N ATOM 0 H ARG A 70 -1.434 -14.269 2.937 1.00 0.00 H new ATOM 0 HA ARG A 70 0.542 -16.448 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.815 -15.812 5.029 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.442 -16.843 5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.223 -13.846 4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.403 -14.580 6.506 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.894 -14.477 6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.677 -16.050 5.690 1.00 0.00 H new ATOM 0 HE ARG A 70 1.643 -13.905 3.720 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.704 -15.972 5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.083 -15.846 4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.420 -13.747 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.924 -14.592 2.700 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.254 -16.643 1.820 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.228 -17.509 1.168 1.00 0.00 C ATOM 1034 C ARG A 71 -2.862 -17.733 -0.296 1.00 0.00 C ATOM 1035 O ARG A 71 -2.984 -18.843 -0.816 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.629 -16.904 1.268 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.071 -16.623 2.695 1.00 0.00 C ATOM 1038 CD ARG A 71 -5.489 -17.899 3.410 1.00 0.00 C ATOM 1039 NE ARG A 71 -6.173 -17.622 4.670 1.00 0.00 N ATOM 1040 CZ ARG A 71 -5.546 -17.254 5.781 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -4.227 -17.119 5.788 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -6.239 -17.019 6.888 1.00 0.00 N ATOM 0 H ARG A 71 -2.254 -15.680 1.483 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.219 -18.472 1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.656 -15.975 0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.343 -17.584 0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.257 -16.148 3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.903 -15.919 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.145 -18.479 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.608 -18.512 3.603 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.188 -17.716 4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.692 -17.298 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.748 -16.836 6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.254 -17.121 6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.757 -16.736 7.741 1.00 0.00 H new ATOM 1056 N THR A 72 -2.412 -16.671 -0.958 1.00 0.00 N ATOM 1057 CA THR A 72 -2.031 -16.751 -2.362 1.00 0.00 C ATOM 1058 C THR A 72 -0.532 -16.532 -2.537 1.00 0.00 C ATOM 1059 O THR A 72 0.045 -16.912 -3.555 1.00 0.00 O ATOM 1060 CB THR A 72 -2.792 -15.714 -3.210 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.422 -14.389 -2.813 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.295 -15.893 -3.062 1.00 0.00 C ATOM 0 H THR A 72 -2.303 -15.745 -0.544 1.00 0.00 H new ATOM 0 HA THR A 72 -2.292 -17.752 -2.705 1.00 0.00 H new ATOM 0 HB THR A 72 -2.525 -15.866 -4.256 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.909 -13.736 -3.358 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.811 -15.150 -3.670 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.577 -16.892 -3.394 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.575 -15.765 -2.016 1.00 0.00 H new ATOM 1070 N GLY A 73 0.093 -15.919 -1.537 1.00 0.00 N ATOM 1071 CA GLY A 73 1.520 -15.661 -1.601 1.00 0.00 C ATOM 1072 C GLY A 73 1.881 -14.659 -2.679 1.00 0.00 C ATOM 1073 O GLY A 73 3.047 -14.529 -3.053 1.00 0.00 O ATOM 0 H GLY A 73 -0.363 -15.596 -0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.862 -15.290 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.047 -16.597 -1.788 1.00 0.00 H new ATOM 1077 N LYS A 74 0.878 -13.947 -3.182 1.00 0.00 N ATOM 1078 CA LYS A 74 1.094 -12.951 -4.225 1.00 0.00 C ATOM 1079 C LYS A 74 1.551 -11.625 -3.624 1.00 0.00 C ATOM 1080 O LYS A 74 1.271 -11.311 -2.467 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.190 -12.741 -5.032 1.00 0.00 C ATOM 1082 CG LYS A 74 -0.617 -13.964 -5.824 1.00 0.00 C ATOM 1083 CD LYS A 74 -1.362 -13.576 -7.090 1.00 0.00 C ATOM 1084 CE LYS A 74 -2.371 -14.641 -7.492 1.00 0.00 C ATOM 1085 NZ LYS A 74 -3.441 -14.089 -8.368 1.00 0.00 N ATOM 0 H LYS A 74 -0.093 -14.041 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 74 1.877 -13.319 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.994 -12.460 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.046 -11.906 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.261 -14.555 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.254 -14.595 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.875 -12.627 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.649 -13.424 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.858 -15.450 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.820 -15.072 -6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.108 -14.846 -8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.948 -13.334 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.015 -13.701 -9.234 1.00 0.00 H new ATOM 1099 N PRO A 75 2.272 -10.828 -4.427 1.00 0.00 N ATOM 1100 CA PRO A 75 2.782 -9.523 -3.996 1.00 0.00 C ATOM 1101 C PRO A 75 1.669 -8.497 -3.814 1.00 0.00 C ATOM 1102 O PRO A 75 1.195 -7.903 -4.783 1.00 0.00 O ATOM 1103 CB PRO A 75 3.709 -9.109 -5.142 1.00 0.00 C ATOM 1104 CG PRO A 75 3.187 -9.836 -6.333 1.00 0.00 C ATOM 1105 CD PRO A 75 2.644 -11.140 -5.817 1.00 0.00 C ATOM 0 HA PRO A 75 3.278 -9.579 -3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.690 -8.030 -5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.743 -9.383 -4.933 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.408 -9.259 -6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.977 -10.004 -7.065 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.784 -11.475 -6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.390 -11.933 -5.865 1.00 0.00 H new ATOM 1113 N ILE A 76 1.256 -8.294 -2.567 1.00 0.00 N ATOM 1114 CA ILE A 76 0.200 -7.338 -2.259 1.00 0.00 C ATOM 1115 C ILE A 76 0.757 -6.118 -1.534 1.00 0.00 C ATOM 1116 O ILE A 76 1.897 -6.125 -1.071 1.00 0.00 O ATOM 1117 CB ILE A 76 -0.903 -7.977 -1.394 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.314 -8.494 -0.080 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.586 -9.104 -2.154 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.324 -8.573 1.044 1.00 0.00 C ATOM 0 H ILE A 76 1.637 -8.779 -1.754 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.231 -7.026 -3.210 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.649 -7.217 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.111 -9.484 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.505 -7.842 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.363 -9.545 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.034 -8.709 -3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.851 -9.866 -2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.837 -8.947 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.732 -7.581 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.132 -9.248 0.761 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.057 -5.072 -1.437 1.00 0.00 N ATOM 1133 CA ALA A 77 0.353 -3.845 -0.764 1.00 0.00 C ATOM 1134 C ALA A 77 -0.142 -3.819 0.678 1.00 0.00 C ATOM 1135 O ALA A 77 -1.213 -4.341 0.988 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.161 -2.630 -1.522 1.00 0.00 C ATOM 0 H ALA A 77 -1.004 -5.049 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 77 1.442 -3.815 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.153 -1.721 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.245 -2.634 -2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.250 -2.664 -1.568 1.00 0.00 H new ATOM 1142 N VAL A 78 0.646 -3.209 1.558 1.00 0.00 N ATOM 1143 CA VAL A 78 0.288 -3.114 2.968 1.00 0.00 C ATOM 1144 C VAL A 78 0.762 -1.795 3.568 1.00 0.00 C ATOM 1145 O VAL A 78 1.660 -1.144 3.034 1.00 0.00 O ATOM 1146 CB VAL A 78 0.887 -4.279 3.779 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.262 -5.600 3.358 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.399 -4.319 3.615 1.00 0.00 C ATOM 0 H VAL A 78 1.537 -2.773 1.319 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.799 -3.164 3.022 1.00 0.00 H new ATOM 0 HB VAL A 78 0.662 -4.118 4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.698 -6.411 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.814 -5.565 3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.453 -5.772 2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.806 -5.148 4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.647 -4.456 2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.828 -3.382 3.970 1.00 0.00 H new ATOM 1158 N LYS A 79 0.153 -1.406 4.683 1.00 0.00 N ATOM 1159 CA LYS A 79 0.512 -0.165 5.359 1.00 0.00 C ATOM 1160 C LYS A 79 0.617 0.986 4.364 1.00 0.00 C ATOM 1161 O LYS A 79 1.618 1.703 4.332 1.00 0.00 O ATOM 1162 CB LYS A 79 1.838 -0.332 6.104 1.00 0.00 C ATOM 1163 CG LYS A 79 1.897 -1.579 6.969 1.00 0.00 C ATOM 1164 CD LYS A 79 3.316 -2.110 7.085 1.00 0.00 C ATOM 1165 CE LYS A 79 3.333 -3.621 7.261 1.00 0.00 C ATOM 1166 NZ LYS A 79 4.711 -4.176 7.162 1.00 0.00 N ATOM 0 H LYS A 79 -0.592 -1.933 5.138 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.274 0.069 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.651 -0.364 5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.005 0.543 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.510 -1.353 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.253 -2.349 6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.881 -1.840 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.814 -1.638 7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.907 -3.878 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.701 -4.082 6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.740 -5.115 7.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.980 -4.261 6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.377 -3.541 7.647 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.422 1.158 3.554 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.447 2.224 2.558 1.00 0.00 C ATOM 1182 C LEU A 80 -0.433 3.595 3.227 1.00 0.00 C ATOM 1183 O LEU A 80 -0.968 3.768 4.322 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.685 2.090 1.670 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.456 2.263 0.168 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.287 0.910 -0.505 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.607 3.034 -0.462 1.00 0.00 C ATOM 0 H LEU A 80 -1.258 0.573 3.567 1.00 0.00 H new ATOM 0 HA LEU A 80 0.447 2.132 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.124 1.107 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.420 2.827 1.992 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.540 2.835 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.125 1.053 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.429 0.394 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.185 0.312 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.427 3.148 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.538 2.489 -0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.681 4.018 -0.000 1.00 0.00 H new ATOM 1199 N VAL A 81 0.181 4.567 2.560 1.00 0.00 N ATOM 1200 CA VAL A 81 0.261 5.924 3.087 1.00 0.00 C ATOM 1201 C VAL A 81 0.488 6.936 1.970 1.00 0.00 C ATOM 1202 O VAL A 81 1.472 6.856 1.234 1.00 0.00 O ATOM 1203 CB VAL A 81 1.394 6.057 4.122 1.00 0.00 C ATOM 1204 CG1 VAL A 81 1.088 5.225 5.359 1.00 0.00 C ATOM 1205 CG2 VAL A 81 2.725 5.647 3.510 1.00 0.00 C ATOM 0 H VAL A 81 0.630 4.440 1.653 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.693 6.131 3.572 1.00 0.00 H new ATOM 0 HB VAL A 81 1.465 7.102 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.899 5.331 6.079 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.157 5.570 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.988 4.177 5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.514 5.747 4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.669 4.610 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.947 6.289 2.658 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.430 7.889 1.848 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.331 8.919 0.821 1.00 0.00 C ATOM 1217 C LYS A 82 0.971 9.701 0.958 1.00 0.00 C ATOM 1218 O LYS A 82 1.312 10.172 2.044 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.524 9.875 0.912 1.00 0.00 C ATOM 1220 CG LYS A 82 -1.870 10.542 -0.408 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.334 10.947 -0.460 1.00 0.00 C ATOM 1222 CE LYS A 82 -3.582 12.006 -1.524 1.00 0.00 C ATOM 1223 NZ LYS A 82 -3.094 13.346 -1.096 1.00 0.00 N ATOM 0 H LYS A 82 -1.251 7.969 2.448 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.339 8.428 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.394 9.324 1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.307 10.645 1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.243 11.422 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.650 9.861 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.948 10.071 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.642 11.329 0.513 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.083 11.716 -2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.649 12.060 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.443 14.070 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -3.444 13.553 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.054 13.352 -1.093 1.00 0.00 H new ATOM 1237 N ILE A 83 1.694 9.836 -0.148 1.00 0.00 N ATOM 1238 CA ILE A 83 2.958 10.563 -0.151 1.00 0.00 C ATOM 1239 C ILE A 83 2.744 12.038 0.172 1.00 0.00 C ATOM 1240 O ILE A 83 3.360 12.578 1.090 1.00 0.00 O ATOM 1241 CB ILE A 83 3.672 10.444 -1.510 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.654 8.994 -1.996 1.00 0.00 C ATOM 1243 CG2 ILE A 83 5.102 10.955 -1.403 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.521 8.753 -3.213 1.00 0.00 C ATOM 0 H ILE A 83 1.426 9.452 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 83 3.584 10.112 0.619 1.00 0.00 H new ATOM 0 HB ILE A 83 3.140 11.057 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.988 8.344 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.628 8.710 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.594 10.865 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.093 12.001 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.645 10.366 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.460 7.704 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.173 9.377 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.555 9.005 -2.979 1.00 0.00 H new