USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 516 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 17 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 55 THR OG1 : rot -170:sc= -1.78! USER MOD Set 2.1: A 25 MET CE :methyl 170:sc= -2.05 (180deg=-2.07) USER MOD Set 2.2: A 45 MET CE :methyl -127:sc= -5.93! (180deg=-5.56!) USER MOD Set 3.1: A 19 TYR OH : rot 95:sc= 0.0837 USER MOD Set 3.2: A 51 CYS SG : rot 111:sc= 0.0827 USER MOD Single : A 16 ASN : amide:sc= 0.681 K(o=0.68,f=-0.0099) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.52 K(o=-1.5,f=-3!) USER MOD Single : A 56 TYR OH : rot 141:sc= -0.696 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -129:sc= 0 (180deg=-0.143) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.909 K(o=-0.91,f=-2.3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.62) USER MOD Single : A 82 ASN : amide:sc=-0.00688 K(o=-0.0069,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 206 N ASN A 16 6.732 7.604 -1.412 1.00 0.00 N ATOM 207 CA ASN A 16 7.465 6.548 -2.101 1.00 0.00 C ATOM 208 C ASN A 16 7.247 5.200 -1.420 1.00 0.00 C ATOM 209 O ASN A 16 7.111 4.171 -2.083 1.00 0.00 O ATOM 210 CB ASN A 16 8.959 6.877 -2.140 1.00 0.00 C ATOM 211 CG ASN A 16 9.341 7.688 -3.363 1.00 0.00 C ATOM 212 OD1 ASN A 16 9.068 8.886 -3.437 1.00 0.00 O ATOM 213 ND2 ASN A 16 9.977 7.036 -4.330 1.00 0.00 N ATOM 0 HA ASN A 16 7.087 6.484 -3.121 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.230 7.431 -1.241 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.533 5.950 -2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.260 7.529 -5.177 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.183 6.042 -4.225 1.00 0.00 H new ATOM 220 N THR A 17 7.214 5.214 -0.091 1.00 0.00 N ATOM 221 CA THR A 17 7.013 3.994 0.681 1.00 0.00 C ATOM 222 C THR A 17 5.529 3.678 0.833 1.00 0.00 C ATOM 223 O THR A 17 4.695 4.581 0.905 1.00 0.00 O ATOM 224 CB THR A 17 7.648 4.103 2.079 1.00 0.00 C ATOM 225 OG1 THR A 17 8.815 4.931 2.024 1.00 0.00 O ATOM 226 CG2 THR A 17 8.021 2.728 2.613 1.00 0.00 C ATOM 0 H THR A 17 7.324 6.057 0.473 1.00 0.00 H new ATOM 0 HA THR A 17 7.499 3.188 0.131 1.00 0.00 H new ATOM 0 HB THR A 17 6.917 4.551 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.212 4.997 2.918 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.468 2.831 3.602 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.126 2.109 2.682 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.737 2.258 1.939 1.00 0.00 H new ATOM 234 N LEU A 18 5.206 2.390 0.881 1.00 0.00 N ATOM 235 CA LEU A 18 3.821 1.954 1.026 1.00 0.00 C ATOM 236 C LEU A 18 3.684 0.941 2.158 1.00 0.00 C ATOM 237 O LEU A 18 4.404 -0.058 2.201 1.00 0.00 O ATOM 238 CB LEU A 18 3.319 1.344 -0.284 1.00 0.00 C ATOM 239 CG LEU A 18 3.761 2.049 -1.566 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.539 1.151 -2.773 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.016 3.365 -1.735 1.00 0.00 C ATOM 0 H LEU A 18 5.884 1.630 0.822 1.00 0.00 H new ATOM 0 HA LEU A 18 3.215 2.826 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.653 0.307 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.229 1.327 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 18 4.827 2.264 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.859 1.670 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.118 0.235 -2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.480 0.904 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.343 3.853 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.945 3.172 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.226 4.014 -0.884 1.00 0.00 H new ATOM 253 N TYR A 19 2.756 1.204 3.071 1.00 0.00 N ATOM 254 CA TYR A 19 2.525 0.315 4.204 1.00 0.00 C ATOM 255 C TYR A 19 1.672 -0.881 3.792 1.00 0.00 C ATOM 256 O TYR A 19 0.493 -0.737 3.471 1.00 0.00 O ATOM 257 CB TYR A 19 1.843 1.074 5.343 1.00 0.00 C ATOM 258 CG TYR A 19 1.946 0.377 6.681 1.00 0.00 C ATOM 259 CD1 TYR A 19 0.997 -0.559 7.074 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.992 0.653 7.552 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.086 -1.198 8.295 1.00 0.00 C ATOM 262 CE2 TYR A 19 3.090 0.018 8.775 1.00 0.00 C ATOM 263 CZ TYR A 19 2.135 -0.906 9.143 1.00 0.00 C ATOM 264 OH TYR A 19 2.228 -1.541 10.360 1.00 0.00 O ATOM 0 H TYR A 19 2.151 2.025 3.049 1.00 0.00 H new ATOM 0 HA TYR A 19 3.492 -0.053 4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.287 2.066 5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.791 1.215 5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.175 -0.791 6.413 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.742 1.377 7.268 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.339 -1.922 8.585 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.911 0.244 9.440 1.00 0.00 H new ATOM 0 HH TYR A 19 2.819 -2.319 10.279 1.00 0.00 H new ATOM 274 N VAL A 20 2.278 -2.065 3.806 1.00 0.00 N ATOM 275 CA VAL A 20 1.575 -3.287 3.436 1.00 0.00 C ATOM 276 C VAL A 20 1.309 -4.159 4.659 1.00 0.00 C ATOM 277 O VAL A 20 2.142 -4.253 5.561 1.00 0.00 O ATOM 278 CB VAL A 20 2.374 -4.103 2.403 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.545 -5.270 1.887 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.826 -3.212 1.255 1.00 0.00 C ATOM 0 H VAL A 20 3.254 -2.203 4.070 1.00 0.00 H new ATOM 0 HA VAL A 20 0.626 -2.985 2.994 1.00 0.00 H new ATOM 0 HB VAL A 20 3.261 -4.506 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.126 -5.835 1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.275 -5.921 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.639 -4.892 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.389 -3.805 0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.954 -2.779 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.459 -2.414 1.642 1.00 0.00 H new ATOM 290 N TYR A 21 0.143 -4.795 4.682 1.00 0.00 N ATOM 291 CA TYR A 21 -0.235 -5.658 5.795 1.00 0.00 C ATOM 292 C TYR A 21 -0.922 -6.924 5.293 1.00 0.00 C ATOM 293 O TYR A 21 -1.937 -6.861 4.601 1.00 0.00 O ATOM 294 CB TYR A 21 -1.159 -4.909 6.757 1.00 0.00 C ATOM 295 CG TYR A 21 -1.792 -5.799 7.803 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.911 -6.567 7.505 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.273 -5.870 9.090 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.494 -7.380 8.458 1.00 0.00 C ATOM 299 CE2 TYR A 21 -1.847 -6.682 10.048 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.958 -7.435 9.728 1.00 0.00 C ATOM 301 OH TYR A 21 -3.534 -8.244 10.680 1.00 0.00 O ATOM 0 H TYR A 21 -0.557 -4.729 3.943 1.00 0.00 H new ATOM 0 HA TYR A 21 0.673 -5.945 6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.591 -4.123 7.256 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.946 -4.419 6.184 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.332 -6.528 6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.405 -5.280 9.345 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.365 -7.969 8.210 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.429 -6.727 11.043 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.034 -8.168 11.520 1.00 0.00 H new ATOM 311 N GLY A 22 -0.360 -8.075 5.650 1.00 0.00 N ATOM 312 CA GLY A 22 -0.931 -9.341 5.229 1.00 0.00 C ATOM 313 C GLY A 22 -0.945 -10.370 6.342 1.00 0.00 C ATOM 314 O GLY A 22 -0.560 -10.075 7.473 1.00 0.00 O ATOM 0 H GLY A 22 0.480 -8.153 6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.950 -9.177 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.361 -9.730 4.386 1.00 0.00 H new ATOM 318 N GLU A 23 -1.391 -11.581 6.022 1.00 0.00 N ATOM 319 CA GLU A 23 -1.456 -12.655 7.005 1.00 0.00 C ATOM 320 C GLU A 23 -0.537 -13.808 6.612 1.00 0.00 C ATOM 321 O GLU A 23 0.449 -14.091 7.294 1.00 0.00 O ATOM 322 CB GLU A 23 -2.893 -13.160 7.148 1.00 0.00 C ATOM 323 CG GLU A 23 -3.935 -12.055 7.098 1.00 0.00 C ATOM 324 CD GLU A 23 -3.959 -11.335 5.764 1.00 0.00 C ATOM 325 OE1 GLU A 23 -4.187 -12.002 4.734 1.00 0.00 O ATOM 326 OE2 GLU A 23 -3.748 -10.104 5.751 1.00 0.00 O ATOM 0 H GLU A 23 -1.712 -11.842 5.090 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.122 -12.257 7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.098 -13.877 6.353 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.989 -13.695 8.093 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.919 -12.480 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.734 -11.335 7.891 1.00 0.00 H new ATOM 333 N ASP A 24 -0.867 -14.471 5.509 1.00 0.00 N ATOM 334 CA ASP A 24 -0.072 -15.593 5.024 1.00 0.00 C ATOM 335 C ASP A 24 0.710 -15.204 3.773 1.00 0.00 C ATOM 336 O ASP A 24 0.659 -15.897 2.757 1.00 0.00 O ATOM 337 CB ASP A 24 -0.973 -16.792 4.725 1.00 0.00 C ATOM 338 CG ASP A 24 -1.790 -17.217 5.930 1.00 0.00 C ATOM 339 OD1 ASP A 24 -1.220 -17.860 6.837 1.00 0.00 O ATOM 340 OD2 ASP A 24 -2.998 -16.905 5.966 1.00 0.00 O ATOM 0 H ASP A 24 -1.680 -14.251 4.934 1.00 0.00 H new ATOM 0 HA ASP A 24 0.638 -15.868 5.804 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.645 -16.542 3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.360 -17.629 4.392 1.00 0.00 H new ATOM 345 N MET A 25 1.431 -14.091 3.854 1.00 0.00 N ATOM 346 CA MET A 25 2.224 -13.610 2.728 1.00 0.00 C ATOM 347 C MET A 25 3.708 -13.585 3.079 1.00 0.00 C ATOM 348 O MET A 25 4.079 -13.427 4.243 1.00 0.00 O ATOM 349 CB MET A 25 1.762 -12.213 2.311 1.00 0.00 C ATOM 350 CG MET A 25 1.304 -11.351 3.477 1.00 0.00 C ATOM 351 SD MET A 25 2.604 -11.088 4.698 1.00 0.00 S ATOM 352 CE MET A 25 2.788 -9.308 4.619 1.00 0.00 C ATOM 0 H MET A 25 1.483 -13.505 4.687 1.00 0.00 H new ATOM 0 HA MET A 25 2.078 -14.296 1.894 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.579 -11.708 1.795 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.944 -12.308 1.597 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.965 -10.386 3.100 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.448 -11.823 3.959 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.425 -8.971 5.437 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.242 -9.031 3.668 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.809 -8.837 4.704 1.00 0.00 H new ATOM 362 N THR A 26 4.554 -13.740 2.066 1.00 0.00 N ATOM 363 CA THR A 26 5.998 -13.736 2.268 1.00 0.00 C ATOM 364 C THR A 26 6.664 -12.636 1.450 1.00 0.00 C ATOM 365 O THR A 26 6.142 -12.184 0.431 1.00 0.00 O ATOM 366 CB THR A 26 6.622 -15.092 1.889 1.00 0.00 C ATOM 367 OG1 THR A 26 6.312 -15.411 0.527 1.00 0.00 O ATOM 368 CG2 THR A 26 6.111 -16.197 2.802 1.00 0.00 C ATOM 0 H THR A 26 4.264 -13.870 1.097 1.00 0.00 H new ATOM 0 HA THR A 26 6.169 -13.550 3.328 1.00 0.00 H new ATOM 0 HB THR A 26 7.703 -15.015 2.007 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.714 -16.274 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.566 -17.145 2.515 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.373 -15.966 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.027 -16.272 2.711 1.00 0.00 H new ATOM 376 N PRO A 27 7.847 -12.194 1.903 1.00 0.00 N ATOM 377 CA PRO A 27 8.611 -11.142 1.227 1.00 0.00 C ATOM 378 C PRO A 27 8.732 -11.387 -0.274 1.00 0.00 C ATOM 379 O PRO A 27 8.318 -10.558 -1.084 1.00 0.00 O ATOM 380 CB PRO A 27 9.987 -11.219 1.894 1.00 0.00 C ATOM 381 CG PRO A 27 9.723 -11.793 3.242 1.00 0.00 C ATOM 382 CD PRO A 27 8.529 -12.688 3.111 1.00 0.00 C ATOM 0 HA PRO A 27 8.132 -10.167 1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.669 -11.848 1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.447 -10.234 1.967 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.587 -12.353 3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.534 -11.002 3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.822 -13.732 3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.884 -12.625 3.988 1.00 0.00 H new ATOM 390 N THR A 28 9.302 -12.532 -0.638 1.00 0.00 N ATOM 391 CA THR A 28 9.477 -12.886 -2.041 1.00 0.00 C ATOM 392 C THR A 28 8.175 -12.724 -2.816 1.00 0.00 C ATOM 393 O THR A 28 8.184 -12.396 -4.003 1.00 0.00 O ATOM 394 CB THR A 28 9.978 -14.334 -2.196 1.00 0.00 C ATOM 395 OG1 THR A 28 11.228 -14.496 -1.517 1.00 0.00 O ATOM 396 CG2 THR A 28 10.143 -14.695 -3.665 1.00 0.00 C ATOM 0 H THR A 28 9.650 -13.230 0.020 1.00 0.00 H new ATOM 0 HA THR A 28 10.225 -12.205 -2.448 1.00 0.00 H new ATOM 0 HB THR A 28 9.237 -15.000 -1.755 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.538 -15.420 -1.619 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.498 -15.722 -3.750 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.183 -14.599 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.866 -14.022 -4.126 1.00 0.00 H new ATOM 404 N LEU A 29 7.056 -12.956 -2.138 1.00 0.00 N ATOM 405 CA LEU A 29 5.744 -12.835 -2.764 1.00 0.00 C ATOM 406 C LEU A 29 5.454 -11.388 -3.147 1.00 0.00 C ATOM 407 O LEU A 29 5.085 -11.097 -4.286 1.00 0.00 O ATOM 408 CB LEU A 29 4.657 -13.352 -1.819 1.00 0.00 C ATOM 409 CG LEU A 29 3.327 -13.734 -2.471 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.503 -14.601 -1.532 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.550 -12.487 -2.868 1.00 0.00 C ATOM 0 H LEU A 29 7.031 -13.229 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 29 5.745 -13.438 -3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.045 -14.225 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.464 -12.587 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 29 3.538 -14.309 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.560 -14.863 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.056 -15.510 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.301 -14.052 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.607 -12.778 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.349 -11.886 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.137 -11.903 -3.577 1.00 0.00 H new ATOM 423 N LEU A 30 5.627 -10.482 -2.191 1.00 0.00 N ATOM 424 CA LEU A 30 5.386 -9.063 -2.428 1.00 0.00 C ATOM 425 C LEU A 30 6.273 -8.542 -3.554 1.00 0.00 C ATOM 426 O LEU A 30 5.889 -7.632 -4.290 1.00 0.00 O ATOM 427 CB LEU A 30 5.641 -8.262 -1.150 1.00 0.00 C ATOM 428 CG LEU A 30 5.057 -8.846 0.136 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.139 -7.833 1.268 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.618 -9.287 -0.084 1.00 0.00 C ATOM 0 H LEU A 30 5.933 -10.705 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 30 4.344 -8.940 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.718 -8.156 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.236 -7.259 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 30 5.645 -9.720 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.719 -8.267 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.181 -7.566 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.576 -6.940 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.218 -9.700 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.017 -8.430 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.586 -10.047 -0.864 1.00 0.00 H new ATOM 442 N ARG A 31 7.460 -9.125 -3.685 1.00 0.00 N ATOM 443 CA ARG A 31 8.401 -8.720 -4.722 1.00 0.00 C ATOM 444 C ARG A 31 7.759 -8.812 -6.104 1.00 0.00 C ATOM 445 O ARG A 31 7.907 -7.911 -6.929 1.00 0.00 O ATOM 446 CB ARG A 31 9.655 -9.594 -4.672 1.00 0.00 C ATOM 447 CG ARG A 31 10.745 -9.043 -3.766 1.00 0.00 C ATOM 448 CD ARG A 31 12.125 -9.497 -4.215 1.00 0.00 C ATOM 449 NE ARG A 31 12.237 -10.953 -4.249 1.00 0.00 N ATOM 450 CZ ARG A 31 13.271 -11.598 -4.779 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.276 -10.919 -5.315 1.00 0.00 N ATOM 452 NH2 ARG A 31 13.301 -12.924 -4.772 1.00 0.00 N ATOM 0 H ARG A 31 7.793 -9.880 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 31 8.682 -7.683 -4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.379 -10.591 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.053 -9.702 -5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.702 -7.954 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.568 -9.371 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.335 -9.094 -5.206 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.878 -9.091 -3.540 1.00 0.00 H new ATOM 0 HE ARG A 31 11.481 -11.505 -3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.257 -9.899 -5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.068 -11.417 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.530 -13.449 -4.360 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.095 -13.418 -5.179 1.00 0.00 H new ATOM 466 N GLY A 32 7.047 -9.907 -6.348 1.00 0.00 N ATOM 467 CA GLY A 32 6.394 -10.097 -7.630 1.00 0.00 C ATOM 468 C GLY A 32 4.988 -9.532 -7.655 1.00 0.00 C ATOM 469 O GLY A 32 4.360 -9.456 -8.710 1.00 0.00 O ATOM 0 H GLY A 32 6.910 -10.666 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.987 -9.621 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.358 -11.161 -7.862 1.00 0.00 H new ATOM 473 N ALA A 33 4.491 -9.136 -6.487 1.00 0.00 N ATOM 474 CA ALA A 33 3.150 -8.575 -6.379 1.00 0.00 C ATOM 475 C ALA A 33 3.171 -7.062 -6.569 1.00 0.00 C ATOM 476 O ALA A 33 2.232 -6.482 -7.115 1.00 0.00 O ATOM 477 CB ALA A 33 2.536 -8.931 -5.033 1.00 0.00 C ATOM 0 H ALA A 33 4.997 -9.193 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 33 2.538 -9.006 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.535 -8.506 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.477 -10.015 -4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.156 -8.528 -4.232 1.00 0.00 H new ATOM 483 N PHE A 34 4.247 -6.428 -6.115 1.00 0.00 N ATOM 484 CA PHE A 34 4.389 -4.981 -6.234 1.00 0.00 C ATOM 485 C PHE A 34 5.202 -4.615 -7.471 1.00 0.00 C ATOM 486 O PHE A 34 5.075 -3.514 -8.008 1.00 0.00 O ATOM 487 CB PHE A 34 5.058 -4.409 -4.982 1.00 0.00 C ATOM 488 CG PHE A 34 4.147 -4.352 -3.789 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.688 -5.517 -3.195 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.750 -3.134 -3.261 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.850 -5.467 -2.097 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.912 -3.078 -2.163 1.00 0.00 C ATOM 493 CZ PHE A 34 2.462 -4.246 -1.580 1.00 0.00 C ATOM 0 H PHE A 34 5.033 -6.893 -5.661 1.00 0.00 H new ATOM 0 HA PHE A 34 3.393 -4.550 -6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.929 -5.016 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.421 -3.405 -5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.988 -6.474 -3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.099 -2.217 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.499 -6.382 -1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.610 -2.122 -1.762 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.808 -4.205 -0.722 1.00 0.00 H new ATOM 503 N SER A 35 6.039 -5.545 -7.919 1.00 0.00 N ATOM 504 CA SER A 35 6.878 -5.319 -9.091 1.00 0.00 C ATOM 505 C SER A 35 6.030 -4.934 -10.299 1.00 0.00 C ATOM 506 O SER A 35 6.335 -3.991 -11.029 1.00 0.00 O ATOM 507 CB SER A 35 7.697 -6.572 -9.407 1.00 0.00 C ATOM 508 OG SER A 35 7.903 -6.708 -10.802 1.00 0.00 O ATOM 0 H SER A 35 6.155 -6.462 -7.488 1.00 0.00 H new ATOM 0 HA SER A 35 7.557 -4.496 -8.868 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.659 -6.519 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.182 -7.453 -9.025 1.00 0.00 H new ATOM 0 HG SER A 35 8.430 -7.515 -10.978 1.00 0.00 H new ATOM 514 N PRO A 36 4.938 -5.682 -10.517 1.00 0.00 N ATOM 515 CA PRO A 36 4.022 -5.438 -11.636 1.00 0.00 C ATOM 516 C PRO A 36 3.632 -3.969 -11.756 1.00 0.00 C ATOM 517 O PRO A 36 3.313 -3.488 -12.844 1.00 0.00 O ATOM 518 CB PRO A 36 2.799 -6.289 -11.284 1.00 0.00 C ATOM 519 CG PRO A 36 3.331 -7.380 -10.421 1.00 0.00 C ATOM 520 CD PRO A 36 4.512 -6.822 -9.688 1.00 0.00 C ATOM 0 HA PRO A 36 4.473 -5.691 -12.595 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.046 -5.701 -10.759 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.324 -6.689 -12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.570 -7.724 -9.721 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.622 -8.241 -11.023 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.243 -6.505 -8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.306 -7.562 -9.588 1.00 0.00 H new ATOM 528 N PHE A 37 3.659 -3.260 -10.633 1.00 0.00 N ATOM 529 CA PHE A 37 3.308 -1.845 -10.613 1.00 0.00 C ATOM 530 C PHE A 37 4.493 -0.984 -11.042 1.00 0.00 C ATOM 531 O PHE A 37 4.323 0.044 -11.697 1.00 0.00 O ATOM 532 CB PHE A 37 2.844 -1.432 -9.215 1.00 0.00 C ATOM 533 CG PHE A 37 1.481 -1.953 -8.857 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.335 -3.193 -8.257 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.347 -1.203 -9.122 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.082 -3.676 -7.926 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.908 -1.680 -8.794 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.041 -2.919 -8.196 1.00 0.00 C ATOM 0 H PHE A 37 3.920 -3.642 -9.724 1.00 0.00 H new ATOM 0 HA PHE A 37 2.493 -1.689 -11.320 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.566 -1.790 -8.481 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.837 -0.344 -9.150 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.210 -3.790 -8.045 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.445 -0.235 -9.590 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.018 -4.644 -7.457 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.784 -1.085 -9.005 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.021 -3.294 -7.940 1.00 0.00 H new ATOM 548 N GLY A 38 5.695 -1.413 -10.668 1.00 0.00 N ATOM 549 CA GLY A 38 6.890 -0.670 -11.021 1.00 0.00 C ATOM 550 C GLY A 38 8.161 -1.383 -10.602 1.00 0.00 C ATOM 551 O GLY A 38 8.408 -2.517 -11.011 1.00 0.00 O ATOM 0 H GLY A 38 5.862 -2.262 -10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.907 -0.506 -12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.856 0.312 -10.550 1.00 0.00 H new ATOM 555 N ASN A 39 8.970 -0.716 -9.785 1.00 0.00 N ATOM 556 CA ASN A 39 10.223 -1.293 -9.312 1.00 0.00 C ATOM 557 C ASN A 39 10.369 -1.114 -7.804 1.00 0.00 C ATOM 558 O ASN A 39 10.184 -0.016 -7.279 1.00 0.00 O ATOM 559 CB ASN A 39 11.409 -0.647 -10.032 1.00 0.00 C ATOM 560 CG ASN A 39 12.727 -1.311 -9.684 1.00 0.00 C ATOM 561 OD1 ASN A 39 12.808 -2.534 -9.569 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.769 -0.506 -9.515 1.00 0.00 N ATOM 0 H ASN A 39 8.780 0.224 -9.437 1.00 0.00 H new ATOM 0 HA ASN A 39 10.210 -2.360 -9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.251 -0.702 -11.109 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.457 0.410 -9.771 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.682 -0.896 -9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.657 0.502 -9.620 1.00 0.00 H new ATOM 569 N ILE A 40 10.704 -2.199 -7.115 1.00 0.00 N ATOM 570 CA ILE A 40 10.877 -2.161 -5.668 1.00 0.00 C ATOM 571 C ILE A 40 12.331 -1.893 -5.295 1.00 0.00 C ATOM 572 O ILE A 40 13.213 -2.707 -5.571 1.00 0.00 O ATOM 573 CB ILE A 40 10.425 -3.480 -5.012 1.00 0.00 C ATOM 574 CG1 ILE A 40 8.967 -3.778 -5.366 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.606 -3.410 -3.503 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.576 -5.223 -5.151 1.00 0.00 C ATOM 0 H ILE A 40 10.861 -3.115 -7.535 1.00 0.00 H new ATOM 0 HA ILE A 40 10.253 -1.348 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 40 11.045 -4.290 -5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.318 -3.141 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.794 -3.515 -6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.282 -4.349 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.657 -3.240 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.008 -2.591 -3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.529 -5.361 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.200 -5.865 -5.773 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.717 -5.486 -4.103 1.00 0.00 H new ATOM 588 N ILE A 41 12.572 -0.748 -4.666 1.00 0.00 N ATOM 589 CA ILE A 41 13.919 -0.374 -4.252 1.00 0.00 C ATOM 590 C ILE A 41 14.153 -0.699 -2.780 1.00 0.00 C ATOM 591 O ILE A 41 15.279 -0.970 -2.365 1.00 0.00 O ATOM 592 CB ILE A 41 14.183 1.125 -4.483 1.00 0.00 C ATOM 593 CG1 ILE A 41 12.950 1.947 -4.099 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.565 1.379 -5.933 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.180 3.441 -4.153 1.00 0.00 C ATOM 0 H ILE A 41 11.853 -0.064 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 41 14.609 -0.955 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 41 15.015 1.434 -3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.129 1.689 -4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.639 1.671 -3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.748 2.443 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.468 0.818 -6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.753 1.057 -6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.265 3.961 -3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 41 13.980 3.711 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.462 3.729 -5.166 1.00 0.00 H new ATOM 607 N ASP A 42 13.080 -0.673 -1.997 1.00 0.00 N ATOM 608 CA ASP A 42 13.167 -0.967 -0.572 1.00 0.00 C ATOM 609 C ASP A 42 11.984 -1.817 -0.119 1.00 0.00 C ATOM 610 O ASP A 42 10.855 -1.332 -0.029 1.00 0.00 O ATOM 611 CB ASP A 42 13.217 0.330 0.237 1.00 0.00 C ATOM 612 CG ASP A 42 13.974 0.170 1.541 1.00 0.00 C ATOM 613 OD1 ASP A 42 15.219 0.263 1.520 1.00 0.00 O ATOM 614 OD2 ASP A 42 13.321 -0.049 2.583 1.00 0.00 O ATOM 0 H ASP A 42 12.140 -0.451 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 42 14.084 -1.530 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.689 1.110 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.201 0.662 0.449 1.00 0.00 H new ATOM 619 N LEU A 43 12.248 -3.088 0.163 1.00 0.00 N ATOM 620 CA LEU A 43 11.205 -4.007 0.605 1.00 0.00 C ATOM 621 C LEU A 43 11.612 -4.714 1.893 1.00 0.00 C ATOM 622 O LEU A 43 12.543 -5.520 1.903 1.00 0.00 O ATOM 623 CB LEU A 43 10.911 -5.039 -0.486 1.00 0.00 C ATOM 624 CG LEU A 43 10.216 -6.321 -0.027 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.976 -5.994 0.790 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.855 -7.189 -1.223 1.00 0.00 C ATOM 0 H LEU A 43 13.176 -3.506 0.093 1.00 0.00 H new ATOM 0 HA LEU A 43 10.303 -3.427 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.291 -4.566 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.852 -5.311 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 43 10.906 -6.878 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.495 -6.919 1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.261 -5.413 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.282 -5.415 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.361 -8.097 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.183 -6.639 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.761 -7.454 -1.767 1.00 0.00 H new ATOM 638 N SER A 44 10.908 -4.409 2.978 1.00 0.00 N ATOM 639 CA SER A 44 11.197 -5.014 4.273 1.00 0.00 C ATOM 640 C SER A 44 9.941 -5.636 4.875 1.00 0.00 C ATOM 641 O SER A 44 8.876 -5.019 4.888 1.00 0.00 O ATOM 642 CB SER A 44 11.772 -3.969 5.231 1.00 0.00 C ATOM 643 OG SER A 44 10.973 -2.799 5.249 1.00 0.00 O ATOM 0 H SER A 44 10.133 -3.746 2.986 1.00 0.00 H new ATOM 0 HA SER A 44 11.934 -5.802 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.833 -4.387 6.236 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.788 -3.715 4.929 1.00 0.00 H new ATOM 0 HG SER A 44 11.361 -2.148 5.870 1.00 0.00 H new ATOM 649 N MET A 45 10.074 -6.861 5.372 1.00 0.00 N ATOM 650 CA MET A 45 8.950 -7.566 5.977 1.00 0.00 C ATOM 651 C MET A 45 9.168 -7.752 7.476 1.00 0.00 C ATOM 652 O MET A 45 10.246 -8.156 7.910 1.00 0.00 O ATOM 653 CB MET A 45 8.753 -8.927 5.306 1.00 0.00 C ATOM 654 CG MET A 45 7.826 -8.882 4.103 1.00 0.00 C ATOM 655 SD MET A 45 6.091 -9.072 4.556 1.00 0.00 S ATOM 656 CE MET A 45 5.646 -10.518 3.598 1.00 0.00 C ATOM 0 H MET A 45 10.948 -7.386 5.368 1.00 0.00 H new ATOM 0 HA MET A 45 8.054 -6.963 5.830 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.723 -9.312 4.993 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.352 -9.629 6.037 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.960 -7.934 3.581 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.104 -9.672 3.405 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.763 -10.299 2.998 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.473 -10.788 2.941 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.431 -11.348 4.271 1.00 0.00 H new ATOM 666 N ASP A 46 8.138 -7.454 8.260 1.00 0.00 N ATOM 667 CA ASP A 46 8.216 -7.589 9.710 1.00 0.00 C ATOM 668 C ASP A 46 7.249 -8.657 10.209 1.00 0.00 C ATOM 669 O ASP A 46 6.065 -8.403 10.431 1.00 0.00 O ATOM 670 CB ASP A 46 7.911 -6.251 10.385 1.00 0.00 C ATOM 671 CG ASP A 46 9.113 -5.327 10.410 1.00 0.00 C ATOM 672 OD1 ASP A 46 10.251 -5.832 10.310 1.00 0.00 O ATOM 673 OD2 ASP A 46 8.916 -4.100 10.530 1.00 0.00 O ATOM 0 H ASP A 46 7.239 -7.117 7.916 1.00 0.00 H new ATOM 0 HA ASP A 46 9.230 -7.894 9.968 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.091 -5.761 9.860 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.574 -6.431 11.406 1.00 0.00 H new ATOM 678 N PRO A 47 7.763 -9.883 10.390 1.00 0.00 N ATOM 679 CA PRO A 47 6.961 -11.015 10.865 1.00 0.00 C ATOM 680 C PRO A 47 6.122 -10.659 12.087 1.00 0.00 C ATOM 681 O PRO A 47 4.949 -11.017 12.190 1.00 0.00 O ATOM 682 CB PRO A 47 8.013 -12.068 11.225 1.00 0.00 C ATOM 683 CG PRO A 47 9.186 -11.739 10.369 1.00 0.00 C ATOM 684 CD PRO A 47 9.165 -10.258 10.146 1.00 0.00 C ATOM 0 HA PRO A 47 6.243 -11.349 10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.271 -12.025 12.283 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.648 -13.076 11.027 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.114 -12.043 10.853 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.132 -12.273 9.420 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.841 -9.742 10.828 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.477 -10.002 9.133 1.00 0.00 H new ATOM 692 N PRO A 48 6.736 -9.938 13.038 1.00 0.00 N ATOM 693 CA PRO A 48 6.063 -9.518 14.270 1.00 0.00 C ATOM 694 C PRO A 48 4.696 -8.897 14.002 1.00 0.00 C ATOM 695 O PRO A 48 3.668 -9.440 14.405 1.00 0.00 O ATOM 696 CB PRO A 48 7.018 -8.475 14.857 1.00 0.00 C ATOM 697 CG PRO A 48 8.358 -8.843 14.319 1.00 0.00 C ATOM 698 CD PRO A 48 8.133 -9.478 12.981 1.00 0.00 C ATOM 0 HA PRO A 48 5.867 -10.359 14.935 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.735 -7.466 14.558 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.009 -8.499 15.947 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.992 -7.961 14.226 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.868 -9.532 14.992 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.286 -8.766 12.170 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.820 -10.307 12.812 1.00 0.00 H new ATOM 706 N ARG A 49 4.693 -7.757 13.319 1.00 0.00 N ATOM 707 CA ARG A 49 3.452 -7.063 12.997 1.00 0.00 C ATOM 708 C ARG A 49 2.862 -7.581 11.689 1.00 0.00 C ATOM 709 O ARG A 49 2.019 -6.928 11.075 1.00 0.00 O ATOM 710 CB ARG A 49 3.697 -5.556 12.897 1.00 0.00 C ATOM 711 CG ARG A 49 3.827 -4.869 14.247 1.00 0.00 C ATOM 712 CD ARG A 49 2.472 -4.689 14.913 1.00 0.00 C ATOM 713 NE ARG A 49 1.824 -3.445 14.509 1.00 0.00 N ATOM 714 CZ ARG A 49 0.822 -2.886 15.179 1.00 0.00 C ATOM 715 NH1 ARG A 49 0.356 -3.459 16.280 1.00 0.00 N ATOM 716 NH2 ARG A 49 0.284 -1.753 14.748 1.00 0.00 N ATOM 0 H ARG A 49 5.536 -7.295 12.978 1.00 0.00 H new ATOM 0 HA ARG A 49 2.739 -7.256 13.798 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.606 -5.382 12.321 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.877 -5.099 12.344 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.477 -5.457 14.895 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.302 -3.897 14.117 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.829 -5.532 14.659 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.596 -4.698 15.996 1.00 0.00 H new ATOM 0 HE ARG A 49 2.159 -2.979 13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.767 -4.331 16.614 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.413 -3.028 16.793 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.639 -1.309 13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.485 -1.325 15.263 1.00 0.00 H new ATOM 730 N ASN A 50 3.312 -8.759 11.268 1.00 0.00 N ATOM 731 CA ASN A 50 2.829 -9.364 10.032 1.00 0.00 C ATOM 732 C ASN A 50 2.572 -8.300 8.970 1.00 0.00 C ATOM 733 O ASN A 50 1.575 -8.357 8.249 1.00 0.00 O ATOM 734 CB ASN A 50 1.549 -10.159 10.296 1.00 0.00 C ATOM 735 CG ASN A 50 1.756 -11.271 11.305 1.00 0.00 C ATOM 736 OD1 ASN A 50 2.838 -11.851 11.394 1.00 0.00 O ATOM 737 ND2 ASN A 50 0.715 -11.574 12.073 1.00 0.00 N ATOM 0 H ASN A 50 4.010 -9.313 11.764 1.00 0.00 H new ATOM 0 HA ASN A 50 3.599 -10.041 9.662 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.774 -9.484 10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.189 -10.585 9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.794 -12.314 12.771 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.163 -11.067 11.965 1.00 0.00 H new ATOM 744 N CYS A 51 3.476 -7.332 8.879 1.00 0.00 N ATOM 745 CA CYS A 51 3.348 -6.254 7.904 1.00 0.00 C ATOM 746 C CYS A 51 4.613 -6.128 7.063 1.00 0.00 C ATOM 747 O CYS A 51 5.561 -6.896 7.229 1.00 0.00 O ATOM 748 CB CYS A 51 3.057 -4.930 8.612 1.00 0.00 C ATOM 749 SG CYS A 51 4.465 -4.257 9.526 1.00 0.00 S ATOM 0 H CYS A 51 4.306 -7.271 9.468 1.00 0.00 H new ATOM 0 HA CYS A 51 2.516 -6.494 7.241 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.734 -4.198 7.872 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.225 -5.074 9.302 1.00 0.00 H new ATOM 0 HG CYS A 51 4.893 -3.181 8.934 1.00 0.00 H new ATOM 755 N ALA A 52 4.621 -5.155 6.157 1.00 0.00 N ATOM 756 CA ALA A 52 5.770 -4.928 5.290 1.00 0.00 C ATOM 757 C ALA A 52 5.789 -3.496 4.767 1.00 0.00 C ATOM 758 O ALA A 52 4.802 -2.768 4.885 1.00 0.00 O ATOM 759 CB ALA A 52 5.760 -5.915 4.131 1.00 0.00 C ATOM 0 H ALA A 52 3.844 -4.512 6.005 1.00 0.00 H new ATOM 0 HA ALA A 52 6.674 -5.084 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.624 -5.734 3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.803 -6.933 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.846 -5.786 3.551 1.00 0.00 H new ATOM 765 N PHE A 53 6.917 -3.096 4.189 1.00 0.00 N ATOM 766 CA PHE A 53 7.064 -1.750 3.649 1.00 0.00 C ATOM 767 C PHE A 53 7.709 -1.785 2.267 1.00 0.00 C ATOM 768 O PHE A 53 8.918 -1.980 2.138 1.00 0.00 O ATOM 769 CB PHE A 53 7.903 -0.888 4.594 1.00 0.00 C ATOM 770 CG PHE A 53 7.434 -0.930 6.020 1.00 0.00 C ATOM 771 CD1 PHE A 53 7.889 -1.913 6.884 1.00 0.00 C ATOM 772 CD2 PHE A 53 6.538 0.013 6.497 1.00 0.00 C ATOM 773 CE1 PHE A 53 7.458 -1.954 8.197 1.00 0.00 C ATOM 774 CE2 PHE A 53 6.103 -0.023 7.808 1.00 0.00 C ATOM 775 CZ PHE A 53 6.565 -1.008 8.660 1.00 0.00 C ATOM 0 H PHE A 53 7.743 -3.685 4.083 1.00 0.00 H new ATOM 0 HA PHE A 53 6.070 -1.313 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.940 -1.220 4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.884 0.144 4.244 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.588 -2.655 6.528 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.175 0.786 5.836 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.820 -2.726 8.860 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.403 0.717 8.166 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.228 -1.038 9.686 1.00 0.00 H new ATOM 785 N VAL A 54 6.893 -1.596 1.234 1.00 0.00 N ATOM 786 CA VAL A 54 7.383 -1.606 -0.139 1.00 0.00 C ATOM 787 C VAL A 54 7.542 -0.188 -0.676 1.00 0.00 C ATOM 788 O VAL A 54 6.602 0.607 -0.650 1.00 0.00 O ATOM 789 CB VAL A 54 6.438 -2.392 -1.067 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.002 -2.452 -2.478 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.197 -3.791 -0.520 1.00 0.00 C ATOM 0 H VAL A 54 5.890 -1.434 1.323 1.00 0.00 H new ATOM 0 HA VAL A 54 8.356 -2.097 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 54 5.481 -1.872 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.320 -3.011 -3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.118 -1.440 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.973 -2.947 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.527 -4.332 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.146 -4.322 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.745 -3.722 0.469 1.00 0.00 H new ATOM 801 N THR A 55 8.739 0.124 -1.164 1.00 0.00 N ATOM 802 CA THR A 55 9.022 1.446 -1.707 1.00 0.00 C ATOM 803 C THR A 55 9.235 1.387 -3.216 1.00 0.00 C ATOM 804 O THR A 55 10.014 0.572 -3.711 1.00 0.00 O ATOM 805 CB THR A 55 10.267 2.069 -1.049 1.00 0.00 C ATOM 806 OG1 THR A 55 10.181 1.946 0.375 1.00 0.00 O ATOM 807 CG2 THR A 55 10.403 3.536 -1.429 1.00 0.00 C ATOM 0 H THR A 55 9.528 -0.522 -1.194 1.00 0.00 H new ATOM 0 HA THR A 55 8.155 2.069 -1.489 1.00 0.00 H new ATOM 0 HB THR A 55 11.147 1.534 -1.407 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.890 2.478 0.793 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.289 3.955 -0.952 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.497 3.624 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.520 4.082 -1.096 1.00 0.00 H new ATOM 815 N TYR A 56 8.539 2.255 -3.941 1.00 0.00 N ATOM 816 CA TYR A 56 8.651 2.300 -5.394 1.00 0.00 C ATOM 817 C TYR A 56 9.638 3.378 -5.831 1.00 0.00 C ATOM 818 O TYR A 56 9.795 4.399 -5.162 1.00 0.00 O ATOM 819 CB TYR A 56 7.282 2.562 -6.024 1.00 0.00 C ATOM 820 CG TYR A 56 6.373 1.354 -6.022 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.802 0.137 -6.539 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.086 1.428 -5.504 1.00 0.00 C ATOM 823 CE1 TYR A 56 5.975 -0.970 -6.540 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.253 0.326 -5.500 1.00 0.00 C ATOM 825 CZ TYR A 56 4.702 -0.870 -6.019 1.00 0.00 C ATOM 826 OH TYR A 56 3.874 -1.970 -6.018 1.00 0.00 O ATOM 0 H TYR A 56 7.891 2.937 -3.547 1.00 0.00 H new ATOM 0 HA TYR A 56 9.022 1.333 -5.734 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.794 3.375 -5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.423 2.899 -7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.799 0.055 -6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.731 2.363 -5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.323 -1.908 -6.946 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.256 0.401 -5.093 1.00 0.00 H new ATOM 0 HH TYR A 56 3.363 -1.994 -5.182 1.00 0.00 H new ATOM 836 N GLU A 57 10.301 3.141 -6.959 1.00 0.00 N ATOM 837 CA GLU A 57 11.274 4.091 -7.486 1.00 0.00 C ATOM 838 C GLU A 57 10.588 5.376 -7.942 1.00 0.00 C ATOM 839 O GLU A 57 11.158 6.463 -7.851 1.00 0.00 O ATOM 840 CB GLU A 57 12.045 3.470 -8.653 1.00 0.00 C ATOM 841 CG GLU A 57 13.284 4.256 -9.050 1.00 0.00 C ATOM 842 CD GLU A 57 14.501 3.883 -8.225 1.00 0.00 C ATOM 843 OE1 GLU A 57 14.649 4.422 -7.108 1.00 0.00 O ATOM 844 OE2 GLU A 57 15.305 3.052 -8.697 1.00 0.00 O ATOM 0 H GLU A 57 10.182 2.301 -7.525 1.00 0.00 H new ATOM 0 HA GLU A 57 11.973 4.337 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.339 2.455 -8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.382 3.392 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.497 4.082 -10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.085 5.322 -8.936 1.00 0.00 H new ATOM 851 N LYS A 58 9.361 5.243 -8.432 1.00 0.00 N ATOM 852 CA LYS A 58 8.595 6.391 -8.902 1.00 0.00 C ATOM 853 C LYS A 58 7.354 6.606 -8.042 1.00 0.00 C ATOM 854 O LYS A 58 6.418 5.808 -8.076 1.00 0.00 O ATOM 855 CB LYS A 58 8.188 6.195 -10.364 1.00 0.00 C ATOM 856 CG LYS A 58 9.276 5.572 -11.221 1.00 0.00 C ATOM 857 CD LYS A 58 9.164 4.057 -11.250 1.00 0.00 C ATOM 858 CE LYS A 58 10.317 3.427 -12.016 1.00 0.00 C ATOM 859 NZ LYS A 58 10.006 3.280 -13.465 1.00 0.00 N ATOM 0 H LYS A 58 8.875 4.350 -8.514 1.00 0.00 H new ATOM 0 HA LYS A 58 9.228 7.275 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.300 5.564 -10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.912 7.160 -10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.209 5.962 -12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.254 5.858 -10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.150 3.673 -10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.219 3.770 -11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.210 4.040 -11.897 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.543 2.449 -11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.817 2.847 -13.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.169 2.674 -13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.815 4.216 -13.876 1.00 0.00 H new ATOM 873 N MET A 59 7.353 7.690 -7.273 1.00 0.00 N ATOM 874 CA MET A 59 6.225 8.011 -6.406 1.00 0.00 C ATOM 875 C MET A 59 4.907 7.594 -7.052 1.00 0.00 C ATOM 876 O MET A 59 4.071 6.952 -6.417 1.00 0.00 O ATOM 877 CB MET A 59 6.203 9.509 -6.095 1.00 0.00 C ATOM 878 CG MET A 59 6.107 10.385 -7.334 1.00 0.00 C ATOM 879 SD MET A 59 6.463 12.118 -6.988 1.00 0.00 S ATOM 880 CE MET A 59 8.247 12.073 -6.834 1.00 0.00 C ATOM 0 H MET A 59 8.120 8.361 -7.233 1.00 0.00 H new ATOM 0 HA MET A 59 6.345 7.456 -5.475 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.357 9.724 -5.442 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.106 9.771 -5.544 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.803 10.019 -8.088 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.106 10.301 -7.757 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.544 12.558 -5.904 1.00 0.00 H new ATOM 0 HE2 MET A 59 8.586 11.037 -6.827 1.00 0.00 H new ATOM 0 HE3 MET A 59 8.698 12.596 -7.677 1.00 0.00 H new ATOM 890 N GLU A 60 4.730 7.963 -8.317 1.00 0.00 N ATOM 891 CA GLU A 60 3.513 7.627 -9.046 1.00 0.00 C ATOM 892 C GLU A 60 2.989 6.256 -8.629 1.00 0.00 C ATOM 893 O GLU A 60 1.820 6.108 -8.276 1.00 0.00 O ATOM 894 CB GLU A 60 3.774 7.649 -10.554 1.00 0.00 C ATOM 895 CG GLU A 60 4.804 6.628 -11.008 1.00 0.00 C ATOM 896 CD GLU A 60 5.319 6.902 -12.408 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.523 6.801 -13.364 1.00 0.00 O ATOM 898 OE2 GLU A 60 6.519 7.218 -12.546 1.00 0.00 O ATOM 0 H GLU A 60 5.413 8.494 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 60 2.757 8.374 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.837 7.465 -11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.111 8.645 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.642 6.627 -10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.362 5.632 -10.976 1.00 0.00 H new ATOM 905 N SER A 61 3.864 5.256 -8.673 1.00 0.00 N ATOM 906 CA SER A 61 3.490 3.896 -8.304 1.00 0.00 C ATOM 907 C SER A 61 2.849 3.866 -6.920 1.00 0.00 C ATOM 908 O SER A 61 1.829 3.209 -6.711 1.00 0.00 O ATOM 909 CB SER A 61 4.716 2.982 -8.331 1.00 0.00 C ATOM 910 OG SER A 61 5.106 2.690 -9.662 1.00 0.00 O ATOM 0 H SER A 61 4.837 5.362 -8.961 1.00 0.00 H new ATOM 0 HA SER A 61 2.762 3.536 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.541 3.460 -7.804 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.494 2.055 -7.802 1.00 0.00 H new ATOM 0 HG SER A 61 5.893 2.106 -9.652 1.00 0.00 H new ATOM 916 N ALA A 62 3.454 4.582 -5.979 1.00 0.00 N ATOM 917 CA ALA A 62 2.943 4.639 -4.615 1.00 0.00 C ATOM 918 C ALA A 62 1.418 4.645 -4.601 1.00 0.00 C ATOM 919 O ALA A 62 0.789 3.713 -4.099 1.00 0.00 O ATOM 920 CB ALA A 62 3.484 5.868 -3.899 1.00 0.00 C ATOM 0 H ALA A 62 4.299 5.131 -6.136 1.00 0.00 H new ATOM 0 HA ALA A 62 3.282 3.747 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.094 5.897 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.573 5.822 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.173 6.766 -4.433 1.00 0.00 H new ATOM 926 N ASP A 63 0.830 5.701 -5.152 1.00 0.00 N ATOM 927 CA ASP A 63 -0.622 5.827 -5.203 1.00 0.00 C ATOM 928 C ASP A 63 -1.241 4.675 -5.988 1.00 0.00 C ATOM 929 O ASP A 63 -2.241 4.093 -5.568 1.00 0.00 O ATOM 930 CB ASP A 63 -1.017 7.162 -5.837 1.00 0.00 C ATOM 931 CG ASP A 63 -1.133 8.276 -4.816 1.00 0.00 C ATOM 932 OD1 ASP A 63 -0.083 8.801 -4.388 1.00 0.00 O ATOM 933 OD2 ASP A 63 -2.273 8.624 -4.444 1.00 0.00 O ATOM 0 H ASP A 63 1.336 6.482 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.001 5.792 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.277 7.437 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.969 7.047 -6.355 1.00 0.00 H new ATOM 938 N GLN A 64 -0.640 4.351 -7.128 1.00 0.00 N ATOM 939 CA GLN A 64 -1.134 3.269 -7.971 1.00 0.00 C ATOM 940 C GLN A 64 -1.392 2.012 -7.148 1.00 0.00 C ATOM 941 O GLN A 64 -2.522 1.532 -7.068 1.00 0.00 O ATOM 942 CB GLN A 64 -0.132 2.966 -9.087 1.00 0.00 C ATOM 943 CG GLN A 64 -0.194 3.950 -10.244 1.00 0.00 C ATOM 944 CD GLN A 64 0.365 3.375 -11.530 1.00 0.00 C ATOM 945 OE1 GLN A 64 -0.358 2.761 -12.316 1.00 0.00 O ATOM 946 NE2 GLN A 64 1.660 3.570 -11.753 1.00 0.00 N ATOM 0 H GLN A 64 0.189 4.822 -7.489 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.076 3.589 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.875 2.971 -8.671 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.316 1.961 -9.466 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.229 4.251 -10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.362 4.850 -9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.222 4.084 -11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.092 3.205 -12.602 1.00 0.00 H new ATOM 955 N ALA A 65 -0.336 1.483 -6.538 1.00 0.00 N ATOM 956 CA ALA A 65 -0.449 0.282 -5.720 1.00 0.00 C ATOM 957 C ALA A 65 -1.547 0.433 -4.672 1.00 0.00 C ATOM 958 O ALA A 65 -2.537 -0.299 -4.685 1.00 0.00 O ATOM 959 CB ALA A 65 0.882 -0.028 -5.051 1.00 0.00 C ATOM 0 H ALA A 65 0.607 1.867 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.717 -0.549 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.783 -0.927 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.644 -0.188 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.174 0.809 -4.416 1.00 0.00 H new ATOM 965 N VAL A 66 -1.364 1.386 -3.764 1.00 0.00 N ATOM 966 CA VAL A 66 -2.340 1.633 -2.708 1.00 0.00 C ATOM 967 C VAL A 66 -3.740 1.808 -3.284 1.00 0.00 C ATOM 968 O VAL A 66 -4.736 1.674 -2.573 1.00 0.00 O ATOM 969 CB VAL A 66 -1.974 2.885 -1.888 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.189 3.401 -1.132 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.831 2.580 -0.932 1.00 0.00 C ATOM 0 H VAL A 66 -0.550 2.000 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.326 0.762 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.644 3.665 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.912 4.285 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.976 3.660 -1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.551 2.628 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.586 3.475 -0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.130 1.785 -0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.043 2.261 -1.500 1.00 0.00 H new ATOM 981 N ALA A 67 -3.809 2.107 -4.577 1.00 0.00 N ATOM 982 CA ALA A 67 -5.088 2.297 -5.250 1.00 0.00 C ATOM 983 C ALA A 67 -5.643 0.971 -5.759 1.00 0.00 C ATOM 984 O ALA A 67 -6.848 0.729 -5.699 1.00 0.00 O ATOM 985 CB ALA A 67 -4.939 3.284 -6.398 1.00 0.00 C ATOM 0 H ALA A 67 -2.994 2.223 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.794 2.703 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.902 3.416 -6.891 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.595 4.243 -6.011 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.213 2.901 -7.115 1.00 0.00 H new ATOM 991 N GLU A 68 -4.757 0.116 -6.260 1.00 0.00 N ATOM 992 CA GLU A 68 -5.160 -1.184 -6.781 1.00 0.00 C ATOM 993 C GLU A 68 -4.944 -2.278 -5.739 1.00 0.00 C ATOM 994 O GLU A 68 -5.876 -2.994 -5.370 1.00 0.00 O ATOM 995 CB GLU A 68 -4.377 -1.514 -8.053 1.00 0.00 C ATOM 996 CG GLU A 68 -4.553 -0.488 -9.160 1.00 0.00 C ATOM 997 CD GLU A 68 -5.829 -0.697 -9.952 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.957 -1.756 -10.602 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.699 0.198 -9.923 1.00 0.00 O ATOM 0 H GLU A 68 -3.755 0.301 -6.316 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.223 -1.138 -7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.318 -1.593 -7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.693 -2.490 -8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.559 0.512 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.699 -0.537 -9.835 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.707 -2.403 -5.269 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.367 -3.410 -4.270 1.00 0.00 C ATOM 1008 C LEU A 69 -4.293 -3.313 -3.062 1.00 0.00 C ATOM 1009 O LEU A 69 -4.710 -4.328 -2.505 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.912 -3.244 -3.826 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.851 -3.752 -4.803 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.480 -3.945 -4.092 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.303 -5.050 -5.455 1.00 0.00 C ATOM 0 H LEU A 69 -2.924 -1.820 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.493 -4.393 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.728 -2.186 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.781 -3.763 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.717 -3.004 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.223 -4.307 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.810 -2.994 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.361 -4.673 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.535 -5.396 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.466 -5.806 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.232 -4.880 -5.999 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.611 -2.086 -2.663 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.489 -1.857 -1.522 1.00 0.00 C ATOM 1027 C ASN A 70 -6.605 -2.897 -1.477 1.00 0.00 C ATOM 1028 O ASN A 70 -7.439 -2.967 -2.379 1.00 0.00 O ATOM 1029 CB ASN A 70 -6.089 -0.451 -1.587 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.465 -0.379 -0.953 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -7.722 -1.012 0.071 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -8.357 0.394 -1.560 1.00 0.00 N ATOM 0 H ASN A 70 -4.274 -1.235 -3.113 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.894 -1.949 -0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.423 0.249 -1.083 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.155 -0.135 -2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.299 0.481 -1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.100 0.901 -2.407 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.614 -3.702 -0.419 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.632 -4.727 -0.275 1.00 0.00 C ATOM 1041 C GLY A 71 -7.716 -5.635 -1.486 1.00 0.00 C ATOM 1042 O GLY A 71 -8.807 -5.995 -1.928 1.00 0.00 O ATOM 0 H GLY A 71 -5.935 -3.663 0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.418 -5.326 0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.600 -4.253 -0.112 1.00 0.00 H new ATOM 1046 N THR A 72 -6.559 -6.005 -2.027 1.00 0.00 N ATOM 1047 CA THR A 72 -6.505 -6.874 -3.196 1.00 0.00 C ATOM 1048 C THR A 72 -6.294 -8.328 -2.791 1.00 0.00 C ATOM 1049 O THR A 72 -5.774 -8.612 -1.712 1.00 0.00 O ATOM 1050 CB THR A 72 -5.379 -6.452 -4.158 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.550 -7.097 -5.425 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.016 -6.805 -3.583 1.00 0.00 C ATOM 0 H THR A 72 -5.647 -5.716 -1.674 1.00 0.00 H new ATOM 0 HA THR A 72 -7.463 -6.777 -3.706 1.00 0.00 H new ATOM 0 HB THR A 72 -5.431 -5.371 -4.291 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.831 -6.822 -6.032 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.236 -6.498 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.877 -6.289 -2.633 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.956 -7.882 -3.424 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.700 -9.246 -3.663 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.554 -10.671 -3.395 1.00 0.00 C ATOM 1062 C GLN A 73 -5.553 -11.306 -4.354 1.00 0.00 C ATOM 1063 O GLN A 73 -5.905 -11.692 -5.469 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.907 -11.375 -3.512 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.923 -12.769 -2.905 1.00 0.00 C ATOM 1066 CD GLN A 73 -9.228 -13.499 -3.155 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -10.293 -12.885 -3.225 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -9.152 -14.818 -3.290 1.00 0.00 N ATOM 0 H GLN A 73 -7.132 -9.028 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.179 -10.787 -2.378 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.667 -10.766 -3.023 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.182 -11.443 -4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.100 -13.351 -3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.752 -12.696 -1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.248 -15.286 -3.225 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.998 -15.363 -3.459 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.303 -11.412 -3.913 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.251 -12.000 -4.732 1.00 0.00 C ATOM 1079 C VAL A 74 -2.677 -13.251 -4.075 1.00 0.00 C ATOM 1080 O VAL A 74 -2.478 -13.290 -2.861 1.00 0.00 O ATOM 1081 CB VAL A 74 -2.109 -10.998 -4.986 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.668 -9.607 -5.247 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -1.144 -10.981 -3.810 1.00 0.00 C ATOM 0 H VAL A 74 -3.995 -11.098 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.707 -12.269 -5.685 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.560 -11.316 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.847 -8.912 -5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.316 -9.634 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.242 -9.277 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.344 -10.268 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.677 -10.688 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.719 -11.975 -3.674 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.414 -14.271 -4.886 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.863 -15.524 -4.382 1.00 0.00 C ATOM 1095 C GLU A 75 -2.700 -16.058 -3.223 1.00 0.00 C ATOM 1096 O GLU A 75 -2.172 -16.662 -2.289 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.415 -15.325 -3.930 1.00 0.00 C ATOM 1098 CG GLU A 75 0.468 -14.679 -4.985 1.00 0.00 C ATOM 1099 CD GLU A 75 1.917 -15.112 -4.877 1.00 0.00 C ATOM 1100 OE1 GLU A 75 2.185 -16.127 -4.201 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.784 -14.435 -5.470 1.00 0.00 O ATOM 0 H GLU A 75 -2.573 -14.255 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.886 -16.253 -5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.405 -14.707 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.008 -16.292 -3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.090 -14.933 -5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.408 -13.595 -4.889 1.00 0.00 H new ATOM 1108 N SER A 76 -4.008 -15.831 -3.290 1.00 0.00 N ATOM 1109 CA SER A 76 -4.918 -16.286 -2.245 1.00 0.00 C ATOM 1110 C SER A 76 -4.589 -15.621 -0.912 1.00 0.00 C ATOM 1111 O SER A 76 -4.771 -16.213 0.152 1.00 0.00 O ATOM 1112 CB SER A 76 -4.844 -17.807 -2.101 1.00 0.00 C ATOM 1113 OG SER A 76 -5.478 -18.454 -3.191 1.00 0.00 O ATOM 0 H SER A 76 -4.461 -15.335 -4.057 1.00 0.00 H new ATOM 0 HA SER A 76 -5.931 -16.005 -2.532 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.801 -18.120 -2.045 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.319 -18.111 -1.168 1.00 0.00 H new ATOM 0 HG SER A 76 -5.416 -19.425 -3.076 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.103 -14.385 -0.978 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.750 -13.637 0.223 1.00 0.00 C ATOM 1121 C VAL A 77 -4.193 -12.183 0.115 1.00 0.00 C ATOM 1122 O VAL A 77 -3.703 -11.437 -0.733 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.233 -13.682 0.486 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -1.848 -12.683 1.565 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.801 -15.089 0.871 1.00 0.00 C ATOM 0 H VAL A 77 -3.945 -13.881 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.270 -14.111 1.055 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.714 -13.406 -0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.773 -12.729 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.121 -11.678 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.374 -12.924 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.726 -15.103 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.326 -15.396 1.775 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.040 -15.778 0.061 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.121 -11.787 0.979 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.631 -10.421 0.981 1.00 0.00 C ATOM 1137 C GLN A 78 -4.571 -9.445 1.483 1.00 0.00 C ATOM 1138 O GLN A 78 -4.243 -9.427 2.670 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.885 -10.322 1.850 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.174 -10.595 1.092 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.251 -11.199 1.970 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.657 -12.346 1.775 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -9.721 -10.431 2.945 1.00 0.00 N ATOM 0 H GLN A 78 -5.536 -12.393 1.687 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.888 -10.155 -0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.802 -11.029 2.675 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.935 -9.325 2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.542 -9.664 0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.967 -11.270 0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.356 -9.487 3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.447 -10.785 3.568 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.040 -8.637 0.573 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.016 -7.658 0.924 1.00 0.00 C ATOM 1154 C LEU A 79 -3.636 -6.286 1.168 1.00 0.00 C ATOM 1155 O LEU A 79 -4.562 -5.877 0.468 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.968 -7.567 -0.186 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.930 -8.688 -0.223 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.171 -8.365 -1.222 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.344 -8.919 1.162 1.00 0.00 C ATOM 0 H LEU A 79 -4.301 -8.640 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.533 -7.987 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.485 -7.546 -1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.444 -6.617 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.426 -9.604 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.900 -9.175 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.262 -8.251 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.664 -7.437 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.393 -9.721 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.136 -8.005 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.140 -9.197 1.852 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.117 -5.577 2.165 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.616 -4.249 2.501 1.00 0.00 C ATOM 1173 C LYS A 80 -2.503 -3.210 2.409 1.00 0.00 C ATOM 1174 O LYS A 80 -1.605 -3.172 3.251 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.215 -4.247 3.909 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.625 -4.807 3.972 1.00 0.00 C ATOM 1177 CD LYS A 80 -6.017 -5.176 5.393 1.00 0.00 C ATOM 1178 CE LYS A 80 -6.377 -3.943 6.209 1.00 0.00 C ATOM 1179 NZ LYS A 80 -5.187 -3.361 6.888 1.00 0.00 N ATOM 0 H LYS A 80 -2.350 -5.901 2.755 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.393 -3.988 1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.572 -4.830 4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.221 -3.226 4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.327 -4.071 3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.696 -5.688 3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.865 -5.860 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.193 -5.704 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.825 -3.194 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.127 -4.207 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.301 -3.442 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.333 -3.875 6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.095 -2.358 6.628 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.568 -2.369 1.382 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.567 -1.328 1.182 1.00 0.00 C ATOM 1195 C VAL A 81 -2.126 0.047 1.531 1.00 0.00 C ATOM 1196 O VAL A 81 -3.300 0.330 1.292 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.059 -1.309 -0.272 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.242 -0.527 -0.373 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.880 -2.728 -0.791 1.00 0.00 C ATOM 0 H VAL A 81 -3.303 -2.388 0.675 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.735 -1.558 1.847 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.803 -0.810 -0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.586 -0.524 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.077 0.499 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.997 -0.994 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.521 -2.697 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.155 -3.254 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.836 -3.251 -0.756 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.278 0.899 2.097 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.687 2.245 2.479 1.00 0.00 C ATOM 1211 C ASN A 82 -0.503 3.206 2.440 1.00 0.00 C ATOM 1212 O ASN A 82 0.603 2.862 2.860 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.304 2.236 3.880 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.328 3.338 4.068 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -3.132 4.466 3.616 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.427 3.016 4.740 1.00 0.00 N ATOM 0 H ASN A 82 -0.303 0.681 2.301 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.434 2.587 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.776 1.270 4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.514 2.347 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.151 3.717 4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.547 2.068 5.097 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.742 4.411 1.934 1.00 0.00 N ATOM 1224 CA ILE A 83 0.304 5.422 1.842 1.00 0.00 C ATOM 1225 C ILE A 83 0.764 5.865 3.227 1.00 0.00 C ATOM 1226 O ILE A 83 0.134 6.712 3.860 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.172 6.655 1.052 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -0.738 6.232 -0.305 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.971 7.642 0.871 1.00 0.00 C ATOM 1230 CD1 ILE A 83 0.320 5.769 -1.283 1.00 0.00 C ATOM 0 H ILE A 83 -1.651 4.711 1.581 1.00 0.00 H new ATOM 0 HA ILE A 83 1.140 4.964 1.314 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.964 7.146 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.459 5.428 -0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.282 7.070 -0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.619 8.508 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.332 7.964 1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.783 7.162 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.153 5.485 -2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.028 6.578 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.848 4.910 -0.868 1.00 0.00 H new ATOM 1242 N ALA A 84 1.868 5.288 3.690 1.00 0.00 N ATOM 1243 CA ALA A 84 2.415 5.627 4.999 1.00 0.00 C ATOM 1244 C ALA A 84 2.284 7.120 5.279 1.00 0.00 C ATOM 1245 O ALA A 84 2.148 7.925 4.357 1.00 0.00 O ATOM 1246 CB ALA A 84 3.871 5.197 5.089 1.00 0.00 C ATOM 0 H ALA A 84 2.401 4.584 3.179 1.00 0.00 H new ATOM 0 HA ALA A 84 1.842 5.091 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.267 5.456 6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.942 4.119 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.449 5.707 4.319 1.00 0.00 H new