USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 730 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: S 291 MET CE :methyl 164:sc= 0 (180deg=0) USER MOD Set 1.2: U 75 MET CE :methyl 146:sc= -9.58! (180deg=-10.1!) USER MOD Set 2.1: S 293 MET CE :methyl -163:sc= -6.79! (180deg=-9.45!) USER MOD Set 2.2: U 8 LYS NZ :NH3+ -138:sc= -0.729 (180deg=-0.115) USER MOD Single : S 286 GLN : amide:sc= -0.864 K(o=-0.86,f=-2.3!) USER MOD Single : S 289 TYR OH : rot 180:sc= -0.306 USER MOD Single : S 292 GLN : amide:sc=-0.00387 K(o=-0.0039,f=-0.59) USER MOD Single : S 294 SER OG : rot -110:sc= -6.19! USER MOD Single : U 4 THR OG1 : rot 180:sc= 0 USER MOD Single : U 6 THR OG1 : rot -140:sc= -2.39! USER MOD Single : U 9 THR OG1 : rot -77:sc= -0.479 USER MOD Single : U 11 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : U 12 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : U 13 GLN : amide:sc= -0.0545 X(o=-0.055,f=-0.53) USER MOD Single : U 14 THR OG1 : rot 170:sc= -1.57! USER MOD Single : U 16 LYS NZ :NH3+ 153:sc= -0.0816 (180deg=-0.383) USER MOD Single : U 19 MET CE :methyl 157:sc= -5.92! (180deg=-7.61!) USER MOD Single : U 24 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : U 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : U 29 LYS NZ :NH3+ -165:sc= -6.7! (180deg=-8.14!) USER MOD Single : U 31 LYS NZ :NH3+ -177:sc= -0.52 (180deg=-0.521) USER MOD Single : U 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : U 46 GLN :FLIP amide:sc= -9.19! C(o=-10!,f=-9.2!) USER MOD Single : U 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : U 50 TYR OH : rot 150:sc= -0.627! USER MOD Single : U 53 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0937) USER MOD Single : U 56 SER OG : rot 180:sc= 0 USER MOD Single : U 64 TYR OH : rot 171:sc= -0.177 USER MOD Single : U 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : U 70 ASN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD ----------------------------------------------------------------- ATOM 205 N GLU S 284 61.891 -12.726 5.842 1.00 0.00 N ATOM 206 CA GLU S 284 63.114 -12.387 6.560 1.00 0.00 C ATOM 207 C GLU S 284 64.323 -12.828 5.755 1.00 0.00 C ATOM 208 O GLU S 284 65.364 -12.173 5.756 1.00 0.00 O ATOM 209 CB GLU S 284 63.128 -13.070 7.927 1.00 0.00 C ATOM 210 CG GLU S 284 61.788 -13.037 8.635 1.00 0.00 C ATOM 211 CD GLU S 284 61.860 -12.354 9.987 1.00 0.00 C ATOM 212 OE1 GLU S 284 62.841 -11.620 10.228 1.00 0.00 O ATOM 213 OE2 GLU S 284 60.938 -12.555 10.804 1.00 0.00 O ATOM 0 HA GLU S 284 63.151 -11.307 6.703 1.00 0.00 H new ATOM 0 HB2 GLU S 284 63.438 -14.107 7.802 1.00 0.00 H new ATOM 0 HB3 GLU S 284 63.875 -12.587 8.557 1.00 0.00 H new ATOM 0 HG2 GLU S 284 61.063 -12.518 8.008 1.00 0.00 H new ATOM 0 HG3 GLU S 284 61.425 -14.056 8.766 1.00 0.00 H new ATOM 220 N GLU S 285 64.166 -13.945 5.068 1.00 0.00 N ATOM 221 CA GLU S 285 65.226 -14.496 4.241 1.00 0.00 C ATOM 222 C GLU S 285 65.427 -13.659 2.990 1.00 0.00 C ATOM 223 O GLU S 285 66.554 -13.435 2.548 1.00 0.00 O ATOM 224 CB GLU S 285 64.904 -15.925 3.821 1.00 0.00 C ATOM 225 CG GLU S 285 66.138 -16.785 3.581 1.00 0.00 C ATOM 226 CD GLU S 285 67.084 -16.829 4.767 1.00 0.00 C ATOM 227 OE1 GLU S 285 67.673 -15.781 5.104 1.00 0.00 O ATOM 228 OE2 GLU S 285 67.247 -17.918 5.351 1.00 0.00 O ATOM 0 H GLU S 285 63.306 -14.493 5.067 1.00 0.00 H new ATOM 0 HA GLU S 285 66.137 -14.488 4.839 1.00 0.00 H new ATOM 0 HB2 GLU S 285 64.291 -16.392 4.592 1.00 0.00 H new ATOM 0 HB3 GLU S 285 64.306 -15.901 2.910 1.00 0.00 H new ATOM 0 HG2 GLU S 285 65.823 -17.800 3.340 1.00 0.00 H new ATOM 0 HG3 GLU S 285 66.674 -16.403 2.712 1.00 0.00 H new ATOM 235 N GLN S 286 64.319 -13.225 2.411 1.00 0.00 N ATOM 236 CA GLN S 286 64.357 -12.440 1.190 1.00 0.00 C ATOM 237 C GLN S 286 64.588 -10.962 1.470 1.00 0.00 C ATOM 238 O GLN S 286 64.921 -10.216 0.568 1.00 0.00 O ATOM 239 CB GLN S 286 63.057 -12.617 0.404 1.00 0.00 C ATOM 240 CG GLN S 286 62.890 -14.006 -0.189 1.00 0.00 C ATOM 241 CD GLN S 286 61.847 -14.828 0.539 1.00 0.00 C ATOM 242 OE1 GLN S 286 62.164 -15.577 1.462 1.00 0.00 O ATOM 243 NE2 GLN S 286 60.592 -14.695 0.126 1.00 0.00 N ATOM 0 H GLN S 286 63.381 -13.404 2.769 1.00 0.00 H new ATOM 0 HA GLN S 286 65.196 -12.805 0.598 1.00 0.00 H new ATOM 0 HB2 GLN S 286 62.213 -12.408 1.061 1.00 0.00 H new ATOM 0 HB3 GLN S 286 63.025 -11.881 -0.400 1.00 0.00 H new ATOM 0 HG2 GLN S 286 62.610 -13.918 -1.239 1.00 0.00 H new ATOM 0 HG3 GLN S 286 63.846 -14.528 -0.157 1.00 0.00 H new ATOM 0 HE21 GLN S 286 60.373 -14.062 -0.643 1.00 0.00 H new ATOM 0 HE22 GLN S 286 59.847 -15.225 0.578 1.00 0.00 H new ATOM 252 N ILE S 287 64.425 -10.548 2.717 1.00 0.00 N ATOM 253 CA ILE S 287 64.622 -9.159 3.095 1.00 0.00 C ATOM 254 C ILE S 287 66.030 -8.972 3.613 1.00 0.00 C ATOM 255 O ILE S 287 66.660 -7.928 3.435 1.00 0.00 O ATOM 256 CB ILE S 287 63.636 -8.750 4.195 1.00 0.00 C ATOM 257 CG1 ILE S 287 63.856 -9.596 5.434 1.00 0.00 C ATOM 258 CG2 ILE S 287 62.202 -8.848 3.710 1.00 0.00 C ATOM 259 CD1 ILE S 287 65.040 -9.142 6.254 1.00 0.00 C ATOM 0 H ILE S 287 64.155 -11.159 3.488 1.00 0.00 H new ATOM 0 HA ILE S 287 64.454 -8.537 2.215 1.00 0.00 H new ATOM 0 HB ILE S 287 63.820 -7.707 4.453 1.00 0.00 H new ATOM 0 HG12 ILE S 287 62.959 -9.565 6.053 1.00 0.00 H new ATOM 0 HG13 ILE S 287 64.003 -10.634 5.137 1.00 0.00 H new ATOM 0 HG21 ILE S 287 61.526 -8.552 4.512 1.00 0.00 H new ATOM 0 HG22 ILE S 287 62.061 -8.188 2.854 1.00 0.00 H new ATOM 0 HG23 ILE S 287 61.987 -9.875 3.415 1.00 0.00 H new ATOM 0 HD11 ILE S 287 65.146 -9.786 7.127 1.00 0.00 H new ATOM 0 HD12 ILE S 287 65.945 -9.199 5.649 1.00 0.00 H new ATOM 0 HD13 ILE S 287 64.885 -8.113 6.579 1.00 0.00 H new ATOM 271 N ALA S 288 66.507 -10.026 4.241 1.00 0.00 N ATOM 272 CA ALA S 288 67.835 -10.078 4.799 1.00 0.00 C ATOM 273 C ALA S 288 68.826 -10.242 3.668 1.00 0.00 C ATOM 274 O ALA S 288 69.821 -9.516 3.555 1.00 0.00 O ATOM 275 CB ALA S 288 67.910 -11.250 5.770 1.00 0.00 C ATOM 0 H ALA S 288 65.971 -10.883 4.378 1.00 0.00 H new ATOM 0 HA ALA S 288 68.071 -9.162 5.341 1.00 0.00 H new ATOM 0 HB1 ALA S 288 68.910 -11.302 6.201 1.00 0.00 H new ATOM 0 HB2 ALA S 288 67.179 -11.110 6.566 1.00 0.00 H new ATOM 0 HB3 ALA S 288 67.695 -12.177 5.239 1.00 0.00 H new ATOM 281 N TYR S 289 68.507 -11.194 2.806 1.00 0.00 N ATOM 282 CA TYR S 289 69.321 -11.477 1.645 1.00 0.00 C ATOM 283 C TYR S 289 69.168 -10.364 0.618 1.00 0.00 C ATOM 284 O TYR S 289 70.148 -9.925 0.019 1.00 0.00 O ATOM 285 CB TYR S 289 68.909 -12.812 1.032 1.00 0.00 C ATOM 286 CG TYR S 289 69.172 -14.009 1.913 1.00 0.00 C ATOM 287 CD1 TYR S 289 69.716 -13.861 3.180 1.00 0.00 C ATOM 288 CD2 TYR S 289 68.867 -15.291 1.474 1.00 0.00 C ATOM 289 CE1 TYR S 289 69.951 -14.956 3.986 1.00 0.00 C ATOM 290 CE2 TYR S 289 69.098 -16.392 2.273 1.00 0.00 C ATOM 291 CZ TYR S 289 69.640 -16.221 3.529 1.00 0.00 C ATOM 292 OH TYR S 289 69.872 -17.315 4.330 1.00 0.00 O ATOM 0 H TYR S 289 67.681 -11.786 2.894 1.00 0.00 H new ATOM 0 HA TYR S 289 70.366 -11.535 1.951 1.00 0.00 H new ATOM 0 HB2 TYR S 289 67.846 -12.777 0.795 1.00 0.00 H new ATOM 0 HB3 TYR S 289 69.441 -12.945 0.090 1.00 0.00 H new ATOM 0 HD1 TYR S 289 69.960 -12.873 3.542 1.00 0.00 H new ATOM 0 HD2 TYR S 289 68.442 -15.428 0.491 1.00 0.00 H new ATOM 0 HE1 TYR S 289 70.376 -14.824 4.970 1.00 0.00 H new ATOM 0 HE2 TYR S 289 68.856 -17.382 1.916 1.00 0.00 H new ATOM 0 HH TYR S 289 69.597 -18.129 3.859 1.00 0.00 H new ATOM 302 N ALA S 290 67.931 -9.909 0.414 1.00 0.00 N ATOM 303 CA ALA S 290 67.676 -8.849 -0.548 1.00 0.00 C ATOM 304 C ALA S 290 68.492 -7.622 -0.255 1.00 0.00 C ATOM 305 O ALA S 290 69.078 -7.059 -1.155 1.00 0.00 O ATOM 306 CB ALA S 290 66.215 -8.460 -0.568 1.00 0.00 C ATOM 0 H ALA S 290 67.103 -10.256 0.898 1.00 0.00 H new ATOM 0 HA ALA S 290 67.962 -9.247 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA S 290 66.060 -7.665 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA S 290 65.612 -9.326 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA S 290 65.919 -8.108 0.420 1.00 0.00 H new ATOM 312 N MET S 291 68.513 -7.185 0.992 1.00 0.00 N ATOM 313 CA MET S 291 69.269 -5.988 1.329 1.00 0.00 C ATOM 314 C MET S 291 70.768 -6.218 1.122 1.00 0.00 C ATOM 315 O MET S 291 71.445 -5.451 0.415 1.00 0.00 O ATOM 316 CB MET S 291 68.983 -5.555 2.766 1.00 0.00 C ATOM 317 CG MET S 291 68.215 -4.245 2.850 1.00 0.00 C ATOM 318 SD MET S 291 66.566 -4.444 3.553 1.00 0.00 S ATOM 319 CE MET S 291 65.570 -3.614 2.316 1.00 0.00 C ATOM 0 H MET S 291 68.028 -7.627 1.773 1.00 0.00 H new ATOM 0 HA MET S 291 68.952 -5.186 0.662 1.00 0.00 H new ATOM 0 HB2 MET S 291 68.413 -6.337 3.269 1.00 0.00 H new ATOM 0 HB3 MET S 291 69.926 -5.452 3.303 1.00 0.00 H new ATOM 0 HG2 MET S 291 68.780 -3.536 3.456 1.00 0.00 H new ATOM 0 HG3 MET S 291 68.130 -3.815 1.852 1.00 0.00 H new ATOM 0 HE1 MET S 291 64.523 -3.888 2.448 1.00 0.00 H new ATOM 0 HE2 MET S 291 65.679 -2.535 2.425 1.00 0.00 H new ATOM 0 HE3 MET S 291 65.901 -3.913 1.322 1.00 0.00 H new ATOM 329 N GLN S 292 71.276 -7.281 1.741 1.00 0.00 N ATOM 330 CA GLN S 292 72.692 -7.634 1.651 1.00 0.00 C ATOM 331 C GLN S 292 73.235 -7.535 0.221 1.00 0.00 C ATOM 332 O GLN S 292 74.353 -7.067 0.011 1.00 0.00 O ATOM 333 CB GLN S 292 72.914 -9.048 2.188 1.00 0.00 C ATOM 334 CG GLN S 292 74.379 -9.446 2.267 1.00 0.00 C ATOM 335 CD GLN S 292 74.658 -10.416 3.399 1.00 0.00 C ATOM 336 OE1 GLN S 292 73.763 -11.124 3.859 1.00 0.00 O ATOM 337 NE2 GLN S 292 75.905 -10.451 3.852 1.00 0.00 N ATOM 0 H GLN S 292 70.723 -7.918 2.315 1.00 0.00 H new ATOM 0 HA GLN S 292 73.239 -6.912 2.258 1.00 0.00 H new ATOM 0 HB2 GLN S 292 72.471 -9.124 3.181 1.00 0.00 H new ATOM 0 HB3 GLN S 292 72.387 -9.757 1.549 1.00 0.00 H new ATOM 0 HG2 GLN S 292 74.680 -9.899 1.322 1.00 0.00 H new ATOM 0 HG3 GLN S 292 74.988 -8.552 2.401 1.00 0.00 H new ATOM 0 HE21 GLN S 292 76.615 -9.845 3.440 1.00 0.00 H new ATOM 0 HE22 GLN S 292 76.154 -11.084 4.612 1.00 0.00 H new ATOM 346 N MET S 293 72.456 -7.992 -0.756 1.00 0.00 N ATOM 347 CA MET S 293 72.888 -7.967 -2.157 1.00 0.00 C ATOM 348 C MET S 293 72.228 -6.831 -2.917 1.00 0.00 C ATOM 349 O MET S 293 72.612 -6.509 -4.041 1.00 0.00 O ATOM 350 CB MET S 293 72.551 -9.291 -2.836 1.00 0.00 C ATOM 351 CG MET S 293 71.757 -10.229 -1.952 1.00 0.00 C ATOM 352 SD MET S 293 71.941 -11.957 -2.429 1.00 0.00 S ATOM 353 CE MET S 293 71.151 -11.950 -4.037 1.00 0.00 C ATOM 0 H MET S 293 71.526 -8.383 -0.608 1.00 0.00 H new ATOM 0 HA MET S 293 73.967 -7.812 -2.168 1.00 0.00 H new ATOM 0 HB2 MET S 293 71.984 -9.092 -3.745 1.00 0.00 H new ATOM 0 HB3 MET S 293 73.476 -9.783 -3.138 1.00 0.00 H new ATOM 0 HG2 MET S 293 72.078 -10.106 -0.918 1.00 0.00 H new ATOM 0 HG3 MET S 293 70.703 -9.955 -1.993 1.00 0.00 H new ATOM 0 HE1 MET S 293 70.912 -12.973 -4.330 1.00 0.00 H new ATOM 0 HE2 MET S 293 70.234 -11.363 -3.989 1.00 0.00 H new ATOM 0 HE3 MET S 293 71.825 -11.510 -4.772 1.00 0.00 H new ATOM 363 N SER S 294 71.240 -6.224 -2.288 1.00 0.00 N ATOM 364 CA SER S 294 70.520 -5.116 -2.882 1.00 0.00 C ATOM 365 C SER S 294 71.476 -3.981 -3.087 1.00 0.00 C ATOM 366 O SER S 294 71.346 -3.186 -4.017 1.00 0.00 O ATOM 367 CB SER S 294 69.389 -4.667 -1.967 1.00 0.00 C ATOM 368 OG SER S 294 69.329 -3.254 -1.886 1.00 0.00 O ATOM 0 H SER S 294 70.916 -6.484 -1.356 1.00 0.00 H new ATOM 0 HA SER S 294 70.093 -5.430 -3.834 1.00 0.00 H new ATOM 0 HB2 SER S 294 68.440 -5.054 -2.340 1.00 0.00 H new ATOM 0 HB3 SER S 294 69.535 -5.086 -0.971 1.00 0.00 H new ATOM 0 HG SER S 294 69.609 -2.965 -0.992 1.00 0.00 H new ATOM 374 N LEU S 295 72.455 -3.927 -2.205 1.00 0.00 N ATOM 375 CA LEU S 295 73.463 -2.895 -2.282 1.00 0.00 C ATOM 376 C LEU S 295 74.602 -3.346 -3.182 1.00 0.00 C ATOM 377 O LEU S 295 75.773 -3.153 -2.855 1.00 0.00 O ATOM 378 CB LEU S 295 73.982 -2.535 -0.891 1.00 0.00 C ATOM 379 CG LEU S 295 73.419 -1.231 -0.322 1.00 0.00 C ATOM 380 CD1 LEU S 295 73.512 -1.220 1.195 1.00 0.00 C ATOM 381 CD2 LEU S 295 74.148 -0.034 -0.914 1.00 0.00 C ATOM 0 H LEU S 295 72.571 -4.583 -1.432 1.00 0.00 H new ATOM 0 HA LEU S 295 73.012 -2.000 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU S 295 73.743 -3.349 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU S 295 75.069 -2.460 -0.931 1.00 0.00 H new ATOM 0 HG LEU S 295 72.366 -1.164 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU S 295 73.106 -0.284 1.578 1.00 0.00 H new ATOM 0 HD12 LEU S 295 72.941 -2.055 1.601 1.00 0.00 H new ATOM 0 HD13 LEU S 295 74.555 -1.313 1.496 1.00 0.00 H new ATOM 0 HD21 LEU S 295 73.735 0.885 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU S 295 75.209 -0.098 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU S 295 74.023 -0.031 -1.997 1.00 0.00 H new ATOM 489 N ALA U 2 61.743 -5.812 -26.730 1.00 0.00 N ATOM 490 CA ALA U 2 62.049 -5.471 -25.345 1.00 0.00 C ATOM 491 C ALA U 2 63.513 -5.742 -25.026 1.00 0.00 C ATOM 492 O ALA U 2 64.248 -6.297 -25.842 1.00 0.00 O ATOM 493 CB ALA U 2 61.153 -6.253 -24.394 1.00 0.00 C ATOM 0 HA ALA U 2 61.861 -4.406 -25.212 1.00 0.00 H new ATOM 0 HB1 ALA U 2 61.394 -5.987 -23.365 1.00 0.00 H new ATOM 0 HB2 ALA U 2 60.109 -6.012 -24.596 1.00 0.00 H new ATOM 0 HB3 ALA U 2 61.313 -7.321 -24.539 1.00 0.00 H new ATOM 499 N VAL U 3 63.925 -5.350 -23.828 1.00 0.00 N ATOM 500 CA VAL U 3 65.297 -5.549 -23.381 1.00 0.00 C ATOM 501 C VAL U 3 65.371 -6.720 -22.400 1.00 0.00 C ATOM 502 O VAL U 3 64.492 -7.581 -22.398 1.00 0.00 O ATOM 503 CB VAL U 3 65.843 -4.265 -22.718 1.00 0.00 C ATOM 504 CG1 VAL U 3 65.424 -3.041 -23.518 1.00 0.00 C ATOM 505 CG2 VAL U 3 65.360 -4.152 -21.277 1.00 0.00 C ATOM 0 H VAL U 3 63.324 -4.889 -23.144 1.00 0.00 H new ATOM 0 HA VAL U 3 65.912 -5.779 -24.251 1.00 0.00 H new ATOM 0 HB VAL U 3 66.932 -4.320 -22.707 1.00 0.00 H new ATOM 0 HG11 VAL U 3 65.815 -2.143 -23.040 1.00 0.00 H new ATOM 0 HG12 VAL U 3 65.820 -3.115 -24.531 1.00 0.00 H new ATOM 0 HG13 VAL U 3 64.336 -2.987 -23.557 1.00 0.00 H new ATOM 0 HG21 VAL U 3 65.757 -3.240 -20.831 1.00 0.00 H new ATOM 0 HG22 VAL U 3 64.271 -4.120 -21.260 1.00 0.00 H new ATOM 0 HG23 VAL U 3 65.706 -5.015 -20.708 1.00 0.00 H new ATOM 515 N THR U 4 66.423 -6.758 -21.582 1.00 0.00 N ATOM 516 CA THR U 4 66.600 -7.835 -20.601 1.00 0.00 C ATOM 517 C THR U 4 67.021 -7.271 -19.229 1.00 0.00 C ATOM 518 O THR U 4 68.210 -7.034 -19.017 1.00 0.00 O ATOM 519 CB THR U 4 67.677 -8.801 -21.100 1.00 0.00 C ATOM 520 OG1 THR U 4 67.271 -9.429 -22.302 1.00 0.00 O ATOM 521 CG2 THR U 4 68.013 -9.889 -20.103 1.00 0.00 C ATOM 0 H THR U 4 67.165 -6.058 -21.577 1.00 0.00 H new ATOM 0 HA THR U 4 65.649 -8.355 -20.485 1.00 0.00 H new ATOM 0 HB THR U 4 68.564 -8.188 -21.257 1.00 0.00 H new ATOM 0 HG1 THR U 4 67.974 -10.041 -22.605 1.00 0.00 H new ATOM 0 HG21 THR U 4 68.783 -10.539 -20.519 1.00 0.00 H new ATOM 0 HG22 THR U 4 68.379 -9.437 -19.181 1.00 0.00 H new ATOM 0 HG23 THR U 4 67.119 -10.476 -19.890 1.00 0.00 H new ATOM 529 N ILE U 5 66.080 -7.056 -18.280 1.00 0.00 N ATOM 530 CA ILE U 5 66.466 -6.535 -16.978 1.00 0.00 C ATOM 531 C ILE U 5 67.553 -7.431 -16.371 1.00 0.00 C ATOM 532 O ILE U 5 67.897 -8.466 -16.935 1.00 0.00 O ATOM 533 CB ILE U 5 65.245 -6.435 -16.003 1.00 0.00 C ATOM 534 CG1 ILE U 5 65.308 -5.145 -15.195 1.00 0.00 C ATOM 535 CG2 ILE U 5 65.209 -7.627 -15.052 1.00 0.00 C ATOM 536 CD1 ILE U 5 64.608 -5.255 -13.854 1.00 0.00 C ATOM 0 H ILE U 5 65.083 -7.233 -18.399 1.00 0.00 H new ATOM 0 HA ILE U 5 66.853 -5.526 -17.120 1.00 0.00 H new ATOM 0 HB ILE U 5 64.338 -6.437 -16.607 1.00 0.00 H new ATOM 0 HG12 ILE U 5 66.351 -4.874 -15.034 1.00 0.00 H new ATOM 0 HG13 ILE U 5 64.854 -4.339 -15.771 1.00 0.00 H new ATOM 0 HG21 ILE U 5 64.352 -7.534 -14.385 1.00 0.00 H new ATOM 0 HG22 ILE U 5 65.123 -8.549 -15.627 1.00 0.00 H new ATOM 0 HG23 ILE U 5 66.126 -7.651 -14.463 1.00 0.00 H new ATOM 0 HD11 ILE U 5 64.686 -4.306 -13.324 1.00 0.00 H new ATOM 0 HD12 ILE U 5 63.557 -5.498 -14.011 1.00 0.00 H new ATOM 0 HD13 ILE U 5 65.077 -6.041 -13.262 1.00 0.00 H new ATOM 548 N THR U 6 68.058 -7.039 -15.214 1.00 0.00 N ATOM 549 CA THR U 6 69.071 -7.813 -14.499 1.00 0.00 C ATOM 550 C THR U 6 68.772 -7.715 -13.013 1.00 0.00 C ATOM 551 O THR U 6 68.569 -6.618 -12.503 1.00 0.00 O ATOM 552 CB THR U 6 70.480 -7.299 -14.825 1.00 0.00 C ATOM 553 OG1 THR U 6 70.777 -7.519 -16.192 1.00 0.00 O ATOM 554 CG2 THR U 6 71.580 -7.962 -14.017 1.00 0.00 C ATOM 0 H THR U 6 67.782 -6.179 -14.741 1.00 0.00 H new ATOM 0 HA THR U 6 69.039 -8.857 -14.810 1.00 0.00 H new ATOM 0 HB THR U 6 70.461 -6.239 -14.573 1.00 0.00 H new ATOM 0 HG1 THR U 6 71.709 -7.808 -16.282 1.00 0.00 H new ATOM 0 HG21 THR U 6 72.545 -7.545 -14.305 1.00 0.00 H new ATOM 0 HG22 THR U 6 71.410 -7.783 -12.955 1.00 0.00 H new ATOM 0 HG23 THR U 6 71.576 -9.035 -14.209 1.00 0.00 H new ATOM 562 N LEU U 7 68.687 -8.853 -12.327 1.00 0.00 N ATOM 563 CA LEU U 7 68.350 -8.837 -10.907 1.00 0.00 C ATOM 564 C LEU U 7 69.217 -9.772 -10.078 1.00 0.00 C ATOM 565 O LEU U 7 69.974 -10.585 -10.613 1.00 0.00 O ATOM 566 CB LEU U 7 66.886 -9.217 -10.710 1.00 0.00 C ATOM 567 CG LEU U 7 65.948 -8.750 -11.809 1.00 0.00 C ATOM 568 CD1 LEU U 7 65.630 -9.906 -12.737 1.00 0.00 C ATOM 569 CD2 LEU U 7 64.684 -8.176 -11.203 1.00 0.00 C ATOM 0 H LEU U 7 68.843 -9.780 -12.722 1.00 0.00 H new ATOM 0 HA LEU U 7 68.535 -7.820 -10.560 1.00 0.00 H new ATOM 0 HB2 LEU U 7 66.816 -10.302 -10.630 1.00 0.00 H new ATOM 0 HB3 LEU U 7 66.544 -8.804 -9.761 1.00 0.00 H new ATOM 0 HG LEU U 7 66.432 -7.965 -12.390 1.00 0.00 H new ATOM 0 HD11 LEU U 7 64.957 -9.566 -13.524 1.00 0.00 H new ATOM 0 HD12 LEU U 7 66.552 -10.278 -13.184 1.00 0.00 H new ATOM 0 HD13 LEU U 7 65.152 -10.706 -12.171 1.00 0.00 H new ATOM 0 HD21 LEU U 7 64.017 -7.844 -11.999 1.00 0.00 H new ATOM 0 HD22 LEU U 7 64.186 -8.941 -10.608 1.00 0.00 H new ATOM 0 HD23 LEU U 7 64.938 -7.329 -10.565 1.00 0.00 H new ATOM 581 N LYS U 8 69.066 -9.666 -8.755 1.00 0.00 N ATOM 582 CA LYS U 8 69.805 -10.514 -7.834 1.00 0.00 C ATOM 583 C LYS U 8 68.843 -11.206 -6.882 1.00 0.00 C ATOM 584 O LYS U 8 68.331 -10.602 -5.942 1.00 0.00 O ATOM 585 CB LYS U 8 70.845 -9.713 -7.046 1.00 0.00 C ATOM 586 CG LYS U 8 72.277 -10.030 -7.448 1.00 0.00 C ATOM 587 CD LYS U 8 73.231 -9.878 -6.276 1.00 0.00 C ATOM 588 CE LYS U 8 74.342 -10.915 -6.322 1.00 0.00 C ATOM 589 NZ LYS U 8 74.403 -11.718 -5.070 1.00 0.00 N ATOM 0 H LYS U 8 68.438 -9.000 -8.304 1.00 0.00 H new ATOM 0 HA LYS U 8 70.337 -11.264 -8.419 1.00 0.00 H new ATOM 0 HB2 LYS U 8 70.661 -8.649 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS U 8 70.720 -9.915 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS U 8 72.331 -11.048 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS U 8 72.584 -9.367 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS U 8 73.665 -8.878 -6.286 1.00 0.00 H new ATOM 0 HD3 LYS U 8 72.679 -9.976 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS U 8 74.184 -11.579 -7.172 1.00 0.00 H new ATOM 0 HE3 LYS U 8 75.298 -10.416 -6.480 1.00 0.00 H new ATOM 0 HZ1 LYS U 8 75.396 -11.848 -4.789 1.00 0.00 H new ATOM 0 HZ2 LYS U 8 73.891 -11.221 -4.313 1.00 0.00 H new ATOM 0 HZ3 LYS U 8 73.965 -12.647 -5.232 1.00 0.00 H new ATOM 603 N THR U 9 68.598 -12.476 -7.144 1.00 0.00 N ATOM 604 CA THR U 9 67.686 -13.264 -6.319 1.00 0.00 C ATOM 605 C THR U 9 68.349 -13.657 -4.990 1.00 0.00 C ATOM 606 O THR U 9 69.019 -14.676 -4.956 1.00 0.00 O ATOM 607 CB THR U 9 67.243 -14.535 -7.044 1.00 0.00 C ATOM 608 OG1 THR U 9 68.337 -15.211 -7.631 1.00 0.00 O ATOM 609 CG2 THR U 9 66.228 -14.272 -8.125 1.00 0.00 C ATOM 0 H THR U 9 69.015 -12.989 -7.921 1.00 0.00 H new ATOM 0 HA THR U 9 66.814 -12.641 -6.121 1.00 0.00 H new ATOM 0 HB THR U 9 66.786 -15.154 -6.272 1.00 0.00 H new ATOM 0 HG1 THR U 9 68.607 -14.746 -8.451 1.00 0.00 H new ATOM 0 HG21 THR U 9 65.953 -15.212 -8.603 1.00 0.00 H new ATOM 0 HG22 THR U 9 65.341 -13.814 -7.687 1.00 0.00 H new ATOM 0 HG23 THR U 9 66.654 -13.599 -8.868 1.00 0.00 H new ATOM 617 N LEU U 10 68.181 -12.837 -3.923 1.00 0.00 N ATOM 618 CA LEU U 10 68.765 -13.083 -2.593 1.00 0.00 C ATOM 619 C LEU U 10 69.546 -14.405 -2.454 1.00 0.00 C ATOM 620 O LEU U 10 70.661 -14.403 -1.935 1.00 0.00 O ATOM 621 CB LEU U 10 67.706 -12.989 -1.469 1.00 0.00 C ATOM 622 CG LEU U 10 66.209 -13.008 -1.847 1.00 0.00 C ATOM 623 CD1 LEU U 10 65.668 -11.595 -1.996 1.00 0.00 C ATOM 624 CD2 LEU U 10 65.932 -13.831 -3.093 1.00 0.00 C ATOM 0 H LEU U 10 67.630 -11.980 -3.968 1.00 0.00 H new ATOM 0 HA LEU U 10 69.496 -12.282 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU U 10 67.882 -13.816 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU U 10 67.894 -12.069 -0.916 1.00 0.00 H new ATOM 0 HG LEU U 10 65.683 -13.495 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU U 10 64.612 -11.636 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU U 10 65.784 -11.060 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU U 10 66.220 -11.075 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU U 10 64.865 -13.810 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU U 10 66.484 -13.414 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU U 10 66.248 -14.861 -2.927 1.00 0.00 H new ATOM 636 N GLN U 11 68.982 -15.524 -2.909 1.00 0.00 N ATOM 637 CA GLN U 11 69.653 -16.818 -2.819 1.00 0.00 C ATOM 638 C GLN U 11 71.073 -16.787 -3.419 1.00 0.00 C ATOM 639 O GLN U 11 71.797 -17.774 -3.291 1.00 0.00 O ATOM 640 CB GLN U 11 68.823 -17.880 -3.539 1.00 0.00 C ATOM 641 CG GLN U 11 68.402 -19.035 -2.643 1.00 0.00 C ATOM 642 CD GLN U 11 67.331 -19.903 -3.274 1.00 0.00 C ATOM 643 OE1 GLN U 11 66.394 -19.401 -3.894 1.00 0.00 O ATOM 644 NE2 GLN U 11 67.466 -21.215 -3.118 1.00 0.00 N ATOM 0 H GLN U 11 68.060 -15.559 -3.344 1.00 0.00 H new ATOM 0 HA GLN U 11 69.747 -17.060 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN U 11 67.932 -17.411 -3.956 1.00 0.00 H new ATOM 0 HB3 GLN U 11 69.399 -18.273 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN U 11 69.273 -19.649 -2.414 1.00 0.00 H new ATOM 0 HG3 GLN U 11 68.033 -18.640 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN U 11 68.259 -21.588 -2.596 1.00 0.00 H new ATOM 0 HE22 GLN U 11 66.777 -21.850 -3.520 1.00 0.00 H new ATOM 653 N GLN U 12 71.466 -15.668 -4.077 1.00 0.00 N ATOM 654 CA GLN U 12 72.792 -15.540 -4.686 1.00 0.00 C ATOM 655 C GLN U 12 72.731 -15.723 -6.210 1.00 0.00 C ATOM 656 O GLN U 12 73.734 -15.508 -6.891 1.00 0.00 O ATOM 657 CB GLN U 12 73.782 -16.544 -4.087 1.00 0.00 C ATOM 658 CG GLN U 12 75.234 -16.229 -4.401 1.00 0.00 C ATOM 659 CD GLN U 12 76.198 -16.946 -3.475 1.00 0.00 C ATOM 660 OE1 GLN U 12 77.245 -16.410 -3.113 1.00 0.00 O ATOM 661 NE2 GLN U 12 75.846 -18.166 -3.086 1.00 0.00 N ATOM 0 H GLN U 12 70.874 -14.846 -4.194 1.00 0.00 H new ATOM 0 HA GLN U 12 73.142 -14.531 -4.469 1.00 0.00 H new ATOM 0 HB2 GLN U 12 73.650 -16.570 -3.005 1.00 0.00 H new ATOM 0 HB3 GLN U 12 73.546 -17.541 -4.460 1.00 0.00 H new ATOM 0 HG2 GLN U 12 75.449 -16.510 -5.432 1.00 0.00 H new ATOM 0 HG3 GLN U 12 75.394 -15.154 -4.324 1.00 0.00 H new ATOM 0 HE21 GLN U 12 74.968 -18.572 -3.411 1.00 0.00 H new ATOM 0 HE22 GLN U 12 76.453 -18.697 -2.462 1.00 0.00 H new ATOM 670 N GLN U 13 71.570 -16.127 -6.762 1.00 0.00 N ATOM 671 CA GLN U 13 71.466 -16.322 -8.203 1.00 0.00 C ATOM 672 C GLN U 13 71.215 -15.004 -8.928 1.00 0.00 C ATOM 673 O GLN U 13 70.082 -14.524 -8.999 1.00 0.00 O ATOM 674 CB GLN U 13 70.348 -17.313 -8.529 1.00 0.00 C ATOM 675 CG GLN U 13 70.772 -18.768 -8.421 1.00 0.00 C ATOM 676 CD GLN U 13 70.359 -19.585 -9.629 1.00 0.00 C ATOM 677 OE1 GLN U 13 70.459 -19.126 -10.767 1.00 0.00 O ATOM 678 NE2 GLN U 13 69.892 -20.805 -9.388 1.00 0.00 N ATOM 0 H GLN U 13 70.716 -16.318 -6.238 1.00 0.00 H new ATOM 0 HA GLN U 13 72.417 -16.726 -8.549 1.00 0.00 H new ATOM 0 HB2 GLN U 13 69.510 -17.137 -7.855 1.00 0.00 H new ATOM 0 HB3 GLN U 13 69.989 -17.122 -9.540 1.00 0.00 H new ATOM 0 HG2 GLN U 13 71.855 -18.820 -8.304 1.00 0.00 H new ATOM 0 HG3 GLN U 13 70.334 -19.205 -7.524 1.00 0.00 H new ATOM 0 HE21 GLN U 13 69.826 -21.146 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN U 13 69.599 -21.401 -10.162 1.00 0.00 H new ATOM 687 N THR U 14 72.277 -14.433 -9.488 1.00 0.00 N ATOM 688 CA THR U 14 72.166 -13.187 -10.232 1.00 0.00 C ATOM 689 C THR U 14 71.839 -13.496 -11.687 1.00 0.00 C ATOM 690 O THR U 14 72.644 -14.100 -12.395 1.00 0.00 O ATOM 691 CB THR U 14 73.465 -12.385 -10.140 1.00 0.00 C ATOM 692 OG1 THR U 14 74.188 -12.732 -8.973 1.00 0.00 O ATOM 693 CG2 THR U 14 73.243 -10.887 -10.113 1.00 0.00 C ATOM 0 H THR U 14 73.222 -14.814 -9.440 1.00 0.00 H new ATOM 0 HA THR U 14 71.366 -12.586 -9.800 1.00 0.00 H new ATOM 0 HB THR U 14 74.024 -12.638 -11.041 1.00 0.00 H new ATOM 0 HG1 THR U 14 75.083 -12.334 -9.012 1.00 0.00 H new ATOM 0 HG21 THR U 14 74.205 -10.378 -10.047 1.00 0.00 H new ATOM 0 HG22 THR U 14 72.731 -10.579 -11.024 1.00 0.00 H new ATOM 0 HG23 THR U 14 72.634 -10.625 -9.248 1.00 0.00 H new ATOM 701 N PHE U 15 70.649 -13.103 -12.125 1.00 0.00 N ATOM 702 CA PHE U 15 70.230 -13.374 -13.495 1.00 0.00 C ATOM 703 C PHE U 15 69.628 -12.131 -14.154 1.00 0.00 C ATOM 704 O PHE U 15 70.036 -11.010 -13.854 1.00 0.00 O ATOM 705 CB PHE U 15 69.251 -14.557 -13.516 1.00 0.00 C ATOM 706 CG PHE U 15 68.013 -14.376 -12.675 1.00 0.00 C ATOM 707 CD1 PHE U 15 67.701 -13.152 -12.100 1.00 0.00 C ATOM 708 CD2 PHE U 15 67.154 -15.444 -12.465 1.00 0.00 C ATOM 709 CE1 PHE U 15 66.558 -13.001 -11.336 1.00 0.00 C ATOM 710 CE2 PHE U 15 66.009 -15.295 -11.704 1.00 0.00 C ATOM 711 CZ PHE U 15 65.711 -14.073 -11.140 1.00 0.00 C ATOM 0 H PHE U 15 69.964 -12.602 -11.559 1.00 0.00 H new ATOM 0 HA PHE U 15 71.109 -13.643 -14.081 1.00 0.00 H new ATOM 0 HB2 PHE U 15 68.948 -14.740 -14.547 1.00 0.00 H new ATOM 0 HB3 PHE U 15 69.776 -15.449 -13.175 1.00 0.00 H new ATOM 0 HD1 PHE U 15 68.358 -12.308 -12.251 1.00 0.00 H new ATOM 0 HD2 PHE U 15 67.382 -16.405 -12.902 1.00 0.00 H new ATOM 0 HE1 PHE U 15 66.328 -12.044 -10.892 1.00 0.00 H new ATOM 0 HE2 PHE U 15 65.348 -16.136 -11.552 1.00 0.00 H new ATOM 0 HZ PHE U 15 64.817 -13.955 -10.546 1.00 0.00 H new ATOM 721 N LYS U 16 68.672 -12.325 -15.062 1.00 0.00 N ATOM 722 CA LYS U 16 68.048 -11.204 -15.755 1.00 0.00 C ATOM 723 C LYS U 16 66.631 -11.555 -16.208 1.00 0.00 C ATOM 724 O LYS U 16 66.245 -12.724 -16.200 1.00 0.00 O ATOM 725 CB LYS U 16 68.897 -10.802 -16.962 1.00 0.00 C ATOM 726 CG LYS U 16 69.674 -11.959 -17.568 1.00 0.00 C ATOM 727 CD LYS U 16 70.721 -11.470 -18.556 1.00 0.00 C ATOM 728 CE LYS U 16 71.695 -10.504 -17.901 1.00 0.00 C ATOM 729 NZ LYS U 16 72.142 -10.986 -16.565 1.00 0.00 N ATOM 0 H LYS U 16 68.316 -13.242 -15.332 1.00 0.00 H new ATOM 0 HA LYS U 16 67.984 -10.367 -15.060 1.00 0.00 H new ATOM 0 HB2 LYS U 16 68.249 -10.371 -17.725 1.00 0.00 H new ATOM 0 HB3 LYS U 16 69.597 -10.023 -16.661 1.00 0.00 H new ATOM 0 HG2 LYS U 16 70.159 -12.528 -16.775 1.00 0.00 H new ATOM 0 HG3 LYS U 16 68.985 -12.637 -18.072 1.00 0.00 H new ATOM 0 HD2 LYS U 16 71.268 -12.322 -18.960 1.00 0.00 H new ATOM 0 HD3 LYS U 16 70.229 -10.979 -19.396 1.00 0.00 H new ATOM 0 HE2 LYS U 16 72.562 -10.369 -18.547 1.00 0.00 H new ATOM 0 HE3 LYS U 16 71.222 -9.528 -17.795 1.00 0.00 H new ATOM 0 HZ1 LYS U 16 73.084 -10.600 -16.354 1.00 0.00 H new ATOM 0 HZ2 LYS U 16 71.468 -10.670 -15.839 1.00 0.00 H new ATOM 0 HZ3 LYS U 16 72.186 -12.025 -16.568 1.00 0.00 H new ATOM 743 N ILE U 17 65.851 -10.542 -16.599 1.00 0.00 N ATOM 744 CA ILE U 17 64.481 -10.772 -17.043 1.00 0.00 C ATOM 745 C ILE U 17 64.081 -9.842 -18.204 1.00 0.00 C ATOM 746 O ILE U 17 63.709 -8.711 -17.932 1.00 0.00 O ATOM 747 CB ILE U 17 63.477 -10.497 -15.912 1.00 0.00 C ATOM 748 CG1 ILE U 17 63.823 -11.279 -14.641 1.00 0.00 C ATOM 749 CG2 ILE U 17 62.076 -10.839 -16.387 1.00 0.00 C ATOM 750 CD1 ILE U 17 63.413 -12.739 -14.682 1.00 0.00 C ATOM 0 H ILE U 17 66.145 -9.565 -16.616 1.00 0.00 H new ATOM 0 HA ILE U 17 64.452 -11.814 -17.361 1.00 0.00 H new ATOM 0 HB ILE U 17 63.528 -9.438 -15.659 1.00 0.00 H new ATOM 0 HG12 ILE U 17 64.898 -11.219 -14.472 1.00 0.00 H new ATOM 0 HG13 ILE U 17 63.339 -10.800 -13.790 1.00 0.00 H new ATOM 0 HG21 ILE U 17 61.363 -10.645 -15.586 1.00 0.00 H new ATOM 0 HG22 ILE U 17 61.826 -10.226 -17.253 1.00 0.00 H new ATOM 0 HG23 ILE U 17 62.033 -11.892 -16.664 1.00 0.00 H new ATOM 0 HD11 ILE U 17 63.693 -13.222 -13.746 1.00 0.00 H new ATOM 0 HD12 ILE U 17 62.334 -12.810 -14.819 1.00 0.00 H new ATOM 0 HD13 ILE U 17 63.917 -13.235 -15.511 1.00 0.00 H new ATOM 762 N ARG U 18 64.127 -10.296 -19.482 1.00 0.00 N ATOM 763 CA ARG U 18 63.720 -9.449 -20.632 1.00 0.00 C ATOM 764 C ARG U 18 63.303 -8.051 -20.172 1.00 0.00 C ATOM 765 O ARG U 18 64.078 -7.096 -20.219 1.00 0.00 O ATOM 766 CB ARG U 18 62.557 -10.103 -21.367 1.00 0.00 C ATOM 767 CG ARG U 18 61.815 -11.091 -20.503 1.00 0.00 C ATOM 768 CD ARG U 18 60.601 -11.666 -21.213 1.00 0.00 C ATOM 769 NE ARG U 18 60.413 -13.082 -20.913 1.00 0.00 N ATOM 770 CZ ARG U 18 61.053 -14.059 -21.547 1.00 0.00 C ATOM 771 NH1 ARG U 18 61.918 -13.771 -22.509 1.00 0.00 N ATOM 772 NH2 ARG U 18 60.830 -15.324 -21.218 1.00 0.00 N ATOM 0 H ARG U 18 64.438 -11.232 -19.740 1.00 0.00 H new ATOM 0 HA ARG U 18 64.577 -9.353 -21.298 1.00 0.00 H new ATOM 0 HB2 ARG U 18 61.866 -9.332 -21.708 1.00 0.00 H new ATOM 0 HB3 ARG U 18 62.932 -10.611 -22.256 1.00 0.00 H new ATOM 0 HG2 ARG U 18 62.487 -11.901 -20.219 1.00 0.00 H new ATOM 0 HG3 ARG U 18 61.499 -10.602 -19.582 1.00 0.00 H new ATOM 0 HD2 ARG U 18 59.711 -11.111 -20.917 1.00 0.00 H new ATOM 0 HD3 ARG U 18 60.714 -11.535 -22.289 1.00 0.00 H new ATOM 0 HE ARG U 18 59.754 -13.336 -20.177 1.00 0.00 H new ATOM 0 HH11 ARG U 18 62.093 -12.799 -22.763 1.00 0.00 H new ATOM 0 HH12 ARG U 18 62.409 -14.522 -22.995 1.00 0.00 H new ATOM 0 HH21 ARG U 18 60.166 -15.549 -20.477 1.00 0.00 H new ATOM 0 HH22 ARG U 18 61.322 -16.072 -21.706 1.00 0.00 H new ATOM 786 N MET U 19 62.079 -7.959 -19.680 1.00 0.00 N ATOM 787 CA MET U 19 61.549 -6.710 -19.157 1.00 0.00 C ATOM 788 C MET U 19 61.483 -5.622 -20.216 1.00 0.00 C ATOM 789 O MET U 19 61.907 -5.806 -21.357 1.00 0.00 O ATOM 790 CB MET U 19 62.408 -6.220 -17.988 1.00 0.00 C ATOM 791 CG MET U 19 62.137 -6.942 -16.683 1.00 0.00 C ATOM 792 SD MET U 19 62.069 -5.805 -15.306 1.00 0.00 S ATOM 793 CE MET U 19 60.521 -5.050 -15.692 1.00 0.00 C ATOM 0 H MET U 19 61.428 -8.743 -19.632 1.00 0.00 H new ATOM 0 HA MET U 19 60.533 -6.914 -18.819 1.00 0.00 H new ATOM 0 HB2 MET U 19 63.460 -6.340 -18.247 1.00 0.00 H new ATOM 0 HB3 MET U 19 62.235 -5.153 -17.845 1.00 0.00 H new ATOM 0 HG2 MET U 19 61.194 -7.484 -16.755 1.00 0.00 H new ATOM 0 HG3 MET U 19 62.918 -7.682 -16.507 1.00 0.00 H new ATOM 0 HE1 MET U 19 60.090 -4.620 -14.788 1.00 0.00 H new ATOM 0 HE2 MET U 19 60.674 -4.263 -16.431 1.00 0.00 H new ATOM 0 HE3 MET U 19 59.841 -5.800 -16.096 1.00 0.00 H new ATOM 803 N GLU U 20 60.956 -4.477 -19.803 1.00 0.00 N ATOM 804 CA GLU U 20 60.825 -3.318 -20.668 1.00 0.00 C ATOM 805 C GLU U 20 60.972 -2.050 -19.835 1.00 0.00 C ATOM 806 O GLU U 20 60.485 -1.984 -18.708 1.00 0.00 O ATOM 807 CB GLU U 20 59.472 -3.330 -21.380 1.00 0.00 C ATOM 808 CG GLU U 20 59.582 -3.468 -22.890 1.00 0.00 C ATOM 809 CD GLU U 20 59.304 -2.168 -23.615 1.00 0.00 C ATOM 810 OE1 GLU U 20 58.407 -1.420 -23.172 1.00 0.00 O ATOM 811 OE2 GLU U 20 59.984 -1.896 -24.627 1.00 0.00 O ATOM 0 H GLU U 20 60.607 -4.328 -18.856 1.00 0.00 H new ATOM 0 HA GLU U 20 61.608 -3.347 -21.426 1.00 0.00 H new ATOM 0 HB2 GLU U 20 58.873 -4.153 -20.991 1.00 0.00 H new ATOM 0 HB3 GLU U 20 58.939 -2.409 -21.145 1.00 0.00 H new ATOM 0 HG2 GLU U 20 60.582 -3.817 -23.147 1.00 0.00 H new ATOM 0 HG3 GLU U 20 58.881 -4.229 -23.234 1.00 0.00 H new ATOM 818 N PRO U 21 61.660 -1.030 -20.365 1.00 0.00 N ATOM 819 CA PRO U 21 61.886 0.234 -19.650 1.00 0.00 C ATOM 820 C PRO U 21 60.619 1.072 -19.460 1.00 0.00 C ATOM 821 O PRO U 21 60.696 2.229 -19.056 1.00 0.00 O ATOM 822 CB PRO U 21 62.883 0.990 -20.538 1.00 0.00 C ATOM 823 CG PRO U 21 63.386 -0.011 -21.523 1.00 0.00 C ATOM 824 CD PRO U 21 62.297 -1.029 -21.688 1.00 0.00 C ATOM 0 HA PRO U 21 62.242 0.040 -18.638 1.00 0.00 H new ATOM 0 HB2 PRO U 21 62.401 1.828 -21.042 1.00 0.00 H new ATOM 0 HB3 PRO U 21 63.700 1.402 -19.946 1.00 0.00 H new ATOM 0 HG2 PRO U 21 63.620 0.465 -22.475 1.00 0.00 H new ATOM 0 HG3 PRO U 21 64.304 -0.479 -21.167 1.00 0.00 H new ATOM 0 HD2 PRO U 21 61.597 -0.750 -22.475 1.00 0.00 H new ATOM 0 HD3 PRO U 21 62.695 -2.010 -21.948 1.00 0.00 H new ATOM 832 N ASP U 22 59.459 0.499 -19.752 1.00 0.00 N ATOM 833 CA ASP U 22 58.203 1.227 -19.600 1.00 0.00 C ATOM 834 C ASP U 22 57.247 0.506 -18.654 1.00 0.00 C ATOM 835 O ASP U 22 56.528 1.145 -17.886 1.00 0.00 O ATOM 836 CB ASP U 22 57.536 1.427 -20.961 1.00 0.00 C ATOM 837 CG ASP U 22 57.079 2.856 -21.177 1.00 0.00 C ATOM 838 OD1 ASP U 22 57.933 3.711 -21.493 1.00 0.00 O ATOM 839 OD2 ASP U 22 55.867 3.120 -21.033 1.00 0.00 O ATOM 0 H ASP U 22 59.360 -0.457 -20.092 1.00 0.00 H new ATOM 0 HA ASP U 22 58.437 2.199 -19.167 1.00 0.00 H new ATOM 0 HB2 ASP U 22 58.235 1.149 -21.749 1.00 0.00 H new ATOM 0 HB3 ASP U 22 56.679 0.758 -21.044 1.00 0.00 H new ATOM 844 N GLU U 23 57.230 -0.823 -18.712 1.00 0.00 N ATOM 845 CA GLU U 23 56.346 -1.598 -17.852 1.00 0.00 C ATOM 846 C GLU U 23 56.430 -1.101 -16.411 1.00 0.00 C ATOM 847 O GLU U 23 57.282 -0.276 -16.078 1.00 0.00 O ATOM 848 CB GLU U 23 56.680 -3.095 -17.936 1.00 0.00 C ATOM 849 CG GLU U 23 57.103 -3.552 -19.324 1.00 0.00 C ATOM 850 CD GLU U 23 56.404 -2.784 -20.430 1.00 0.00 C ATOM 851 OE1 GLU U 23 55.334 -2.199 -20.161 1.00 0.00 O ATOM 852 OE2 GLU U 23 56.927 -2.769 -21.564 1.00 0.00 O ATOM 0 H GLU U 23 57.812 -1.379 -19.339 1.00 0.00 H new ATOM 0 HA GLU U 23 55.322 -1.462 -18.200 1.00 0.00 H new ATOM 0 HB2 GLU U 23 57.480 -3.320 -17.230 1.00 0.00 H new ATOM 0 HB3 GLU U 23 55.808 -3.670 -17.624 1.00 0.00 H new ATOM 0 HG2 GLU U 23 58.181 -3.432 -19.429 1.00 0.00 H new ATOM 0 HG3 GLU U 23 56.888 -4.615 -19.433 1.00 0.00 H new ATOM 859 N THR U 24 55.533 -1.595 -15.565 1.00 0.00 N ATOM 860 CA THR U 24 55.495 -1.189 -14.165 1.00 0.00 C ATOM 861 C THR U 24 56.158 -2.236 -13.275 1.00 0.00 C ATOM 862 O THR U 24 55.740 -2.444 -12.136 1.00 0.00 O ATOM 863 CB THR U 24 54.051 -0.971 -13.724 1.00 0.00 C ATOM 864 OG1 THR U 24 53.152 -1.621 -14.605 1.00 0.00 O ATOM 865 CG2 THR U 24 53.671 0.491 -13.673 1.00 0.00 C ATOM 0 H THR U 24 54.821 -2.278 -15.825 1.00 0.00 H new ATOM 0 HA THR U 24 56.048 -0.255 -14.065 1.00 0.00 H new ATOM 0 HB THR U 24 53.982 -1.389 -12.720 1.00 0.00 H new ATOM 0 HG1 THR U 24 52.232 -1.470 -14.303 1.00 0.00 H new ATOM 0 HG21 THR U 24 52.633 0.586 -13.353 1.00 0.00 H new ATOM 0 HG22 THR U 24 54.318 1.011 -12.966 1.00 0.00 H new ATOM 0 HG23 THR U 24 53.788 0.932 -14.663 1.00 0.00 H new ATOM 873 N VAL U 25 57.189 -2.890 -13.796 1.00 0.00 N ATOM 874 CA VAL U 25 57.913 -3.916 -13.073 1.00 0.00 C ATOM 875 C VAL U 25 57.010 -5.089 -12.612 1.00 0.00 C ATOM 876 O VAL U 25 57.524 -6.099 -12.136 1.00 0.00 O ATOM 877 CB VAL U 25 58.769 -3.356 -11.891 1.00 0.00 C ATOM 878 CG1 VAL U 25 58.880 -1.840 -11.913 1.00 0.00 C ATOM 879 CG2 VAL U 25 58.253 -3.805 -10.546 1.00 0.00 C ATOM 0 H VAL U 25 57.544 -2.719 -14.737 1.00 0.00 H new ATOM 0 HA VAL U 25 58.615 -4.323 -13.801 1.00 0.00 H new ATOM 0 HB VAL U 25 59.765 -3.773 -12.038 1.00 0.00 H new ATOM 0 HG11 VAL U 25 59.485 -1.507 -11.070 1.00 0.00 H new ATOM 0 HG12 VAL U 25 59.350 -1.523 -12.844 1.00 0.00 H new ATOM 0 HG13 VAL U 25 57.885 -1.401 -11.841 1.00 0.00 H new ATOM 0 HG21 VAL U 25 58.881 -3.390 -9.758 1.00 0.00 H new ATOM 0 HG22 VAL U 25 57.229 -3.457 -10.415 1.00 0.00 H new ATOM 0 HG23 VAL U 25 58.276 -4.893 -10.492 1.00 0.00 H new ATOM 889 N LYS U 26 55.677 -4.981 -12.772 1.00 0.00 N ATOM 890 CA LYS U 26 54.776 -6.069 -12.390 1.00 0.00 C ATOM 891 C LYS U 26 54.970 -7.246 -13.338 1.00 0.00 C ATOM 892 O LYS U 26 55.077 -8.400 -12.915 1.00 0.00 O ATOM 893 CB LYS U 26 53.316 -5.607 -12.439 1.00 0.00 C ATOM 894 CG LYS U 26 52.421 -6.302 -11.427 1.00 0.00 C ATOM 895 CD LYS U 26 51.246 -6.990 -12.100 1.00 0.00 C ATOM 896 CE LYS U 26 51.003 -8.374 -11.521 1.00 0.00 C ATOM 897 NZ LYS U 26 50.166 -9.213 -12.422 1.00 0.00 N ATOM 0 H LYS U 26 55.211 -4.160 -13.159 1.00 0.00 H new ATOM 0 HA LYS U 26 55.010 -6.373 -11.370 1.00 0.00 H new ATOM 0 HB2 LYS U 26 53.279 -4.532 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS U 26 52.922 -5.782 -13.440 1.00 0.00 H new ATOM 0 HG2 LYS U 26 53.003 -7.036 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS U 26 52.052 -5.573 -10.705 1.00 0.00 H new ATOM 0 HD2 LYS U 26 50.350 -6.382 -11.979 1.00 0.00 H new ATOM 0 HD3 LYS U 26 51.435 -7.071 -13.170 1.00 0.00 H new ATOM 0 HE2 LYS U 26 51.959 -8.868 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS U 26 50.513 -8.281 -10.552 1.00 0.00 H new ATOM 0 HZ1 LYS U 26 50.023 -10.149 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS U 26 49.244 -8.754 -12.567 1.00 0.00 H new ATOM 0 HZ3 LYS U 26 50.645 -9.323 -13.338 1.00 0.00 H new ATOM 911 N VAL U 27 55.044 -6.931 -14.626 1.00 0.00 N ATOM 912 CA VAL U 27 55.262 -7.944 -15.645 1.00 0.00 C ATOM 913 C VAL U 27 56.498 -8.739 -15.260 1.00 0.00 C ATOM 914 O VAL U 27 56.569 -9.967 -15.419 1.00 0.00 O ATOM 915 CB VAL U 27 55.444 -7.307 -17.048 1.00 0.00 C ATOM 916 CG1 VAL U 27 56.068 -5.923 -16.941 1.00 0.00 C ATOM 917 CG2 VAL U 27 56.275 -8.199 -17.960 1.00 0.00 C ATOM 0 H VAL U 27 54.956 -5.981 -14.987 1.00 0.00 H new ATOM 0 HA VAL U 27 54.390 -8.596 -15.701 1.00 0.00 H new ATOM 0 HB VAL U 27 54.454 -7.204 -17.492 1.00 0.00 H new ATOM 0 HG11 VAL U 27 56.185 -5.498 -17.938 1.00 0.00 H new ATOM 0 HG12 VAL U 27 55.422 -5.278 -16.345 1.00 0.00 H new ATOM 0 HG13 VAL U 27 57.044 -6.000 -16.463 1.00 0.00 H new ATOM 0 HG21 VAL U 27 56.383 -7.723 -18.935 1.00 0.00 H new ATOM 0 HG22 VAL U 27 57.260 -8.352 -17.520 1.00 0.00 H new ATOM 0 HG23 VAL U 27 55.777 -9.161 -18.080 1.00 0.00 H new ATOM 927 N LEU U 28 57.465 -8.019 -14.711 1.00 0.00 N ATOM 928 CA LEU U 28 58.688 -8.628 -14.262 1.00 0.00 C ATOM 929 C LEU U 28 58.399 -9.599 -13.150 1.00 0.00 C ATOM 930 O LEU U 28 58.971 -10.671 -13.095 1.00 0.00 O ATOM 931 CB LEU U 28 59.659 -7.590 -13.744 1.00 0.00 C ATOM 932 CG LEU U 28 60.967 -8.179 -13.285 1.00 0.00 C ATOM 933 CD1 LEU U 28 61.722 -8.664 -14.480 1.00 0.00 C ATOM 934 CD2 LEU U 28 61.799 -7.184 -12.511 1.00 0.00 C ATOM 0 H LEU U 28 57.417 -7.010 -14.570 1.00 0.00 H new ATOM 0 HA LEU U 28 59.132 -9.142 -15.114 1.00 0.00 H new ATOM 0 HB2 LEU U 28 59.853 -6.859 -14.529 1.00 0.00 H new ATOM 0 HB3 LEU U 28 59.199 -7.053 -12.915 1.00 0.00 H new ATOM 0 HG LEU U 28 60.753 -9.007 -12.609 1.00 0.00 H new ATOM 0 HD11 LEU U 28 62.672 -9.093 -14.161 1.00 0.00 H new ATOM 0 HD12 LEU U 28 61.136 -9.424 -14.997 1.00 0.00 H new ATOM 0 HD13 LEU U 28 61.910 -7.829 -15.155 1.00 0.00 H new ATOM 0 HD21 LEU U 28 62.732 -7.654 -12.201 1.00 0.00 H new ATOM 0 HD22 LEU U 28 62.018 -6.323 -13.143 1.00 0.00 H new ATOM 0 HD23 LEU U 28 61.248 -6.856 -11.630 1.00 0.00 H new ATOM 946 N LYS U 29 57.509 -9.206 -12.259 1.00 0.00 N ATOM 947 CA LYS U 29 57.153 -10.057 -11.141 1.00 0.00 C ATOM 948 C LYS U 29 56.604 -11.374 -11.657 1.00 0.00 C ATOM 949 O LYS U 29 56.759 -12.419 -11.025 1.00 0.00 O ATOM 950 CB LYS U 29 56.135 -9.351 -10.241 1.00 0.00 C ATOM 951 CG LYS U 29 56.627 -8.024 -9.669 1.00 0.00 C ATOM 952 CD LYS U 29 58.136 -7.865 -9.809 1.00 0.00 C ATOM 953 CE LYS U 29 58.746 -6.937 -8.769 1.00 0.00 C ATOM 954 NZ LYS U 29 57.777 -5.976 -8.176 1.00 0.00 N ATOM 0 H LYS U 29 57.023 -8.310 -12.287 1.00 0.00 H new ATOM 0 HA LYS U 29 58.042 -10.262 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS U 29 55.223 -9.173 -10.811 1.00 0.00 H new ATOM 0 HB3 LYS U 29 55.872 -10.015 -9.417 1.00 0.00 H new ATOM 0 HG2 LYS U 29 56.127 -7.201 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS U 29 56.352 -7.959 -8.616 1.00 0.00 H new ATOM 0 HD2 LYS U 29 58.606 -8.845 -9.730 1.00 0.00 H new ATOM 0 HD3 LYS U 29 58.363 -7.482 -10.804 1.00 0.00 H new ATOM 0 HE2 LYS U 29 59.181 -7.538 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS U 29 59.562 -6.379 -9.228 1.00 0.00 H new ATOM 0 HZ1 LYS U 29 58.295 -5.223 -7.679 1.00 0.00 H new ATOM 0 HZ2 LYS U 29 57.197 -5.557 -8.931 1.00 0.00 H new ATOM 0 HZ3 LYS U 29 57.161 -6.475 -7.503 1.00 0.00 H new ATOM 968 N GLU U 30 55.975 -11.316 -12.821 1.00 0.00 N ATOM 969 CA GLU U 30 55.422 -12.503 -13.445 1.00 0.00 C ATOM 970 C GLU U 30 56.537 -13.428 -13.933 1.00 0.00 C ATOM 971 O GLU U 30 56.438 -14.650 -13.812 1.00 0.00 O ATOM 972 CB GLU U 30 54.519 -12.116 -14.614 1.00 0.00 C ATOM 973 CG GLU U 30 53.537 -13.206 -15.001 1.00 0.00 C ATOM 974 CD GLU U 30 53.690 -13.644 -16.444 1.00 0.00 C ATOM 975 OE1 GLU U 30 54.814 -14.028 -16.831 1.00 0.00 O ATOM 976 OE2 GLU U 30 52.688 -13.603 -17.188 1.00 0.00 O ATOM 0 H GLU U 30 55.836 -10.456 -13.352 1.00 0.00 H new ATOM 0 HA GLU U 30 54.831 -13.035 -12.699 1.00 0.00 H new ATOM 0 HB2 GLU U 30 53.965 -11.214 -14.353 1.00 0.00 H new ATOM 0 HB3 GLU U 30 55.138 -11.872 -15.477 1.00 0.00 H new ATOM 0 HG2 GLU U 30 53.679 -14.066 -14.347 1.00 0.00 H new ATOM 0 HG3 GLU U 30 52.520 -12.848 -14.840 1.00 0.00 H new ATOM 983 N LYS U 31 57.598 -12.842 -14.497 1.00 0.00 N ATOM 984 CA LYS U 31 58.717 -13.635 -15.017 1.00 0.00 C ATOM 985 C LYS U 31 59.629 -14.165 -13.904 1.00 0.00 C ATOM 986 O LYS U 31 60.086 -15.308 -13.956 1.00 0.00 O ATOM 987 CB LYS U 31 59.537 -12.799 -16.003 1.00 0.00 C ATOM 988 CG LYS U 31 59.252 -13.125 -17.459 1.00 0.00 C ATOM 989 CD LYS U 31 58.046 -12.359 -17.978 1.00 0.00 C ATOM 990 CE LYS U 31 57.019 -13.292 -18.602 1.00 0.00 C ATOM 991 NZ LYS U 31 57.568 -14.009 -19.785 1.00 0.00 N ATOM 0 H LYS U 31 57.706 -11.833 -14.605 1.00 0.00 H new ATOM 0 HA LYS U 31 58.289 -14.499 -15.525 1.00 0.00 H new ATOM 0 HB2 LYS U 31 59.332 -11.743 -15.829 1.00 0.00 H new ATOM 0 HB3 LYS U 31 60.597 -12.955 -15.805 1.00 0.00 H new ATOM 0 HG2 LYS U 31 60.126 -12.883 -18.064 1.00 0.00 H new ATOM 0 HG3 LYS U 31 59.077 -14.196 -17.565 1.00 0.00 H new ATOM 0 HD2 LYS U 31 57.586 -11.805 -17.160 1.00 0.00 H new ATOM 0 HD3 LYS U 31 58.370 -11.626 -18.717 1.00 0.00 H new ATOM 0 HE2 LYS U 31 56.689 -14.018 -17.859 1.00 0.00 H new ATOM 0 HE3 LYS U 31 56.141 -12.719 -18.900 1.00 0.00 H new ATOM 0 HZ1 LYS U 31 56.823 -14.596 -20.212 1.00 0.00 H new ATOM 0 HZ2 LYS U 31 57.907 -13.317 -20.484 1.00 0.00 H new ATOM 0 HZ3 LYS U 31 58.358 -14.616 -19.487 1.00 0.00 H new ATOM 1005 N ILE U 32 59.896 -13.329 -12.909 1.00 0.00 N ATOM 1006 CA ILE U 32 60.757 -13.694 -11.792 1.00 0.00 C ATOM 1007 C ILE U 32 60.053 -14.671 -10.860 1.00 0.00 C ATOM 1008 O ILE U 32 60.685 -15.543 -10.275 1.00 0.00 O ATOM 1009 CB ILE U 32 61.193 -12.446 -10.997 1.00 0.00 C ATOM 1010 CG1 ILE U 32 62.236 -11.653 -11.780 1.00 0.00 C ATOM 1011 CG2 ILE U 32 61.736 -12.831 -9.628 1.00 0.00 C ATOM 1012 CD1 ILE U 32 62.246 -10.182 -11.431 1.00 0.00 C ATOM 0 H ILE U 32 59.523 -12.381 -12.854 1.00 0.00 H new ATOM 0 HA ILE U 32 61.643 -14.175 -12.207 1.00 0.00 H new ATOM 0 HB ILE U 32 60.315 -11.817 -10.847 1.00 0.00 H new ATOM 0 HG12 ILE U 32 63.223 -12.073 -11.587 1.00 0.00 H new ATOM 0 HG13 ILE U 32 62.044 -11.766 -12.847 1.00 0.00 H new ATOM 0 HG21 ILE U 32 62.036 -11.932 -9.089 1.00 0.00 H new ATOM 0 HG22 ILE U 32 60.963 -13.351 -9.063 1.00 0.00 H new ATOM 0 HG23 ILE U 32 62.599 -13.486 -9.750 1.00 0.00 H new ATOM 0 HD11 ILE U 32 63.009 -9.673 -12.021 1.00 0.00 H new ATOM 0 HD12 ILE U 32 61.270 -9.750 -11.650 1.00 0.00 H new ATOM 0 HD13 ILE U 32 62.467 -10.061 -10.371 1.00 0.00 H new ATOM 1024 N GLU U 33 58.739 -14.522 -10.736 1.00 0.00 N ATOM 1025 CA GLU U 33 57.950 -15.407 -9.890 1.00 0.00 C ATOM 1026 C GLU U 33 57.845 -16.775 -10.543 1.00 0.00 C ATOM 1027 O GLU U 33 57.980 -17.806 -9.886 1.00 0.00 O ATOM 1028 CB GLU U 33 56.550 -14.831 -9.677 1.00 0.00 C ATOM 1029 CG GLU U 33 55.664 -15.675 -8.778 1.00 0.00 C ATOM 1030 CD GLU U 33 55.284 -16.999 -9.412 1.00 0.00 C ATOM 1031 OE1 GLU U 33 54.437 -16.995 -10.330 1.00 0.00 O ATOM 1032 OE2 GLU U 33 55.832 -18.038 -8.991 1.00 0.00 O ATOM 0 H GLU U 33 58.199 -13.798 -11.210 1.00 0.00 H new ATOM 0 HA GLU U 33 58.442 -15.500 -8.922 1.00 0.00 H new ATOM 0 HB2 GLU U 33 56.640 -13.833 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU U 33 56.064 -14.718 -10.646 1.00 0.00 H new ATOM 0 HG2 GLU U 33 56.181 -15.862 -7.837 1.00 0.00 H new ATOM 0 HG3 GLU U 33 54.758 -15.117 -8.539 1.00 0.00 H new ATOM 1039 N ALA U 34 57.613 -16.771 -11.853 1.00 0.00 N ATOM 1040 CA ALA U 34 57.499 -18.013 -12.608 1.00 0.00 C ATOM 1041 C ALA U 34 58.864 -18.678 -12.754 1.00 0.00 C ATOM 1042 O ALA U 34 58.964 -19.888 -12.961 1.00 0.00 O ATOM 1043 CB ALA U 34 56.888 -17.746 -13.975 1.00 0.00 C ATOM 0 H ALA U 34 57.501 -15.925 -12.411 1.00 0.00 H new ATOM 0 HA ALA U 34 56.844 -18.691 -12.061 1.00 0.00 H new ATOM 0 HB1 ALA U 34 56.809 -18.682 -14.527 1.00 0.00 H new ATOM 0 HB2 ALA U 34 55.895 -17.313 -13.852 1.00 0.00 H new ATOM 0 HB3 ALA U 34 57.521 -17.051 -14.527 1.00 0.00 H new ATOM 1049 N GLU U 35 59.914 -17.870 -12.644 1.00 0.00 N ATOM 1050 CA GLU U 35 61.281 -18.353 -12.760 1.00 0.00 C ATOM 1051 C GLU U 35 61.744 -19.003 -11.456 1.00 0.00 C ATOM 1052 O GLU U 35 62.394 -20.049 -11.467 1.00 0.00 O ATOM 1053 CB GLU U 35 62.203 -17.188 -13.130 1.00 0.00 C ATOM 1054 CG GLU U 35 63.677 -17.462 -12.889 1.00 0.00 C ATOM 1055 CD GLU U 35 64.574 -16.573 -13.728 1.00 0.00 C ATOM 1056 OE1 GLU U 35 64.261 -15.372 -13.865 1.00 0.00 O ATOM 1057 OE2 GLU U 35 65.590 -17.079 -14.250 1.00 0.00 O ATOM 0 H GLU U 35 59.840 -16.867 -12.473 1.00 0.00 H new ATOM 0 HA GLU U 35 61.320 -19.110 -13.543 1.00 0.00 H new ATOM 0 HB2 GLU U 35 62.057 -16.944 -14.182 1.00 0.00 H new ATOM 0 HB3 GLU U 35 61.909 -16.310 -12.555 1.00 0.00 H new ATOM 0 HG2 GLU U 35 63.904 -17.311 -11.834 1.00 0.00 H new ATOM 0 HG3 GLU U 35 63.891 -18.507 -13.115 1.00 0.00 H new ATOM 1064 N LYS U 36 61.409 -18.371 -10.335 1.00 0.00 N ATOM 1065 CA LYS U 36 61.787 -18.865 -9.026 1.00 0.00 C ATOM 1066 C LYS U 36 60.653 -19.647 -8.370 1.00 0.00 C ATOM 1067 O LYS U 36 60.799 -20.829 -8.060 1.00 0.00 O ATOM 1068 CB LYS U 36 62.177 -17.693 -8.140 1.00 0.00 C ATOM 1069 CG LYS U 36 63.565 -17.826 -7.553 1.00 0.00 C ATOM 1070 CD LYS U 36 63.845 -19.246 -7.085 1.00 0.00 C ATOM 1071 CE LYS U 36 65.051 -19.839 -7.794 1.00 0.00 C ATOM 1072 NZ LYS U 36 65.311 -21.243 -7.371 1.00 0.00 N ATOM 0 H LYS U 36 60.870 -17.505 -10.314 1.00 0.00 H new ATOM 0 HA LYS U 36 62.632 -19.542 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS U 36 62.122 -16.772 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS U 36 61.454 -17.602 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS U 36 64.305 -17.536 -8.299 1.00 0.00 H new ATOM 0 HG3 LYS U 36 63.673 -17.139 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS U 36 64.017 -19.248 -6.009 1.00 0.00 H new ATOM 0 HD3 LYS U 36 62.970 -19.870 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS U 36 64.889 -19.809 -8.872 1.00 0.00 H new ATOM 0 HE3 LYS U 36 65.930 -19.229 -7.586 1.00 0.00 H new ATOM 0 HZ1 LYS U 36 66.142 -21.610 -7.878 1.00 0.00 H new ATOM 0 HZ2 LYS U 36 65.491 -21.269 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS U 36 64.482 -21.831 -7.592 1.00 0.00 H new ATOM 1086 N GLY U 37 59.527 -18.975 -8.151 1.00 0.00 N ATOM 1087 CA GLY U 37 58.393 -19.622 -7.522 1.00 0.00 C ATOM 1088 C GLY U 37 57.364 -18.631 -7.015 1.00 0.00 C ATOM 1089 O GLY U 37 57.670 -17.456 -6.815 1.00 0.00 O ATOM 0 H GLY U 37 59.381 -17.996 -8.398 1.00 0.00 H new ATOM 0 HA2 GLY U 37 57.921 -20.296 -8.237 1.00 0.00 H new ATOM 0 HA3 GLY U 37 58.743 -20.234 -6.691 1.00 0.00 H new ATOM 1093 N ARG U 38 56.143 -19.110 -6.799 1.00 0.00 N ATOM 1094 CA ARG U 38 55.067 -18.261 -6.303 1.00 0.00 C ATOM 1095 C ARG U 38 55.130 -18.146 -4.785 1.00 0.00 C ATOM 1096 O ARG U 38 54.293 -17.489 -4.165 1.00 0.00 O ATOM 1097 CB ARG U 38 53.707 -18.816 -6.731 1.00 0.00 C ATOM 1098 CG ARG U 38 52.539 -18.237 -5.950 1.00 0.00 C ATOM 1099 CD ARG U 38 51.279 -18.169 -6.798 1.00 0.00 C ATOM 1100 NE ARG U 38 51.454 -17.314 -7.968 1.00 0.00 N ATOM 1101 CZ ARG U 38 50.489 -17.063 -8.847 1.00 0.00 C ATOM 1102 NH1 ARG U 38 49.291 -17.607 -8.693 1.00 0.00 N ATOM 1103 NH2 ARG U 38 50.725 -16.268 -9.883 1.00 0.00 N ATOM 0 H ARG U 38 55.875 -20.081 -6.960 1.00 0.00 H new ATOM 0 HA ARG U 38 55.192 -17.267 -6.733 1.00 0.00 H new ATOM 0 HB2 ARG U 38 53.559 -18.614 -7.792 1.00 0.00 H new ATOM 0 HB3 ARG U 38 53.712 -19.899 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG U 38 52.352 -18.848 -5.067 1.00 0.00 H new ATOM 0 HG3 ARG U 38 52.796 -17.238 -5.597 1.00 0.00 H new ATOM 0 HD2 ARG U 38 51.004 -19.173 -7.120 1.00 0.00 H new ATOM 0 HD3 ARG U 38 50.455 -17.792 -6.193 1.00 0.00 H new ATOM 0 HE ARG U 38 52.367 -16.885 -8.119 1.00 0.00 H new ATOM 0 HH11 ARG U 38 49.108 -18.220 -7.899 1.00 0.00 H new ATOM 0 HH12 ARG U 38 48.552 -17.413 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG U 38 51.647 -15.849 -10.005 1.00 0.00 H new ATOM 0 HH22 ARG U 38 49.984 -16.076 -10.557 1.00 0.00 H new ATOM 1117 N ASP U 39 56.139 -18.776 -4.193 1.00 0.00 N ATOM 1118 CA ASP U 39 56.326 -18.733 -2.751 1.00 0.00 C ATOM 1119 C ASP U 39 57.497 -17.825 -2.417 1.00 0.00 C ATOM 1120 O ASP U 39 57.453 -17.053 -1.459 1.00 0.00 O ATOM 1121 CB ASP U 39 56.577 -20.136 -2.196 1.00 0.00 C ATOM 1122 CG ASP U 39 55.431 -21.086 -2.482 1.00 0.00 C ATOM 1123 OD1 ASP U 39 55.263 -21.475 -3.657 1.00 0.00 O ATOM 1124 OD2 ASP U 39 54.700 -21.437 -1.532 1.00 0.00 O ATOM 0 H ASP U 39 56.840 -19.323 -4.693 1.00 0.00 H new ATOM 0 HA ASP U 39 55.419 -18.340 -2.292 1.00 0.00 H new ATOM 0 HB2 ASP U 39 57.494 -20.536 -2.629 1.00 0.00 H new ATOM 0 HB3 ASP U 39 56.734 -20.075 -1.119 1.00 0.00 H new ATOM 1129 N ALA U 40 58.545 -17.927 -3.225 1.00 0.00 N ATOM 1130 CA ALA U 40 59.740 -17.119 -3.032 1.00 0.00 C ATOM 1131 C ALA U 40 59.570 -15.712 -3.624 1.00 0.00 C ATOM 1132 O ALA U 40 60.014 -14.733 -3.024 1.00 0.00 O ATOM 1133 CB ALA U 40 60.951 -17.828 -3.620 1.00 0.00 C ATOM 0 H ALA U 40 58.590 -18.563 -4.021 1.00 0.00 H new ATOM 0 HA ALA U 40 59.901 -16.995 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA U 40 61.840 -17.215 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA U 40 61.086 -18.790 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA U 40 60.796 -17.988 -4.687 1.00 0.00 H new ATOM 1139 N PHE U 41 58.897 -15.605 -4.777 1.00 0.00 N ATOM 1140 CA PHE U 41 58.656 -14.289 -5.396 1.00 0.00 C ATOM 1141 C PHE U 41 57.211 -14.138 -5.853 1.00 0.00 C ATOM 1142 O PHE U 41 56.955 -13.777 -7.001 1.00 0.00 O ATOM 1143 CB PHE U 41 59.566 -13.996 -6.604 1.00 0.00 C ATOM 1144 CG PHE U 41 61.023 -14.249 -6.385 1.00 0.00 C ATOM 1145 CD1 PHE U 41 61.624 -13.950 -5.176 1.00 0.00 C ATOM 1146 CD2 PHE U 41 61.797 -14.771 -7.406 1.00 0.00 C ATOM 1147 CE1 PHE U 41 62.974 -14.171 -4.990 1.00 0.00 C ATOM 1148 CE2 PHE U 41 63.145 -14.996 -7.227 1.00 0.00 C ATOM 1149 CZ PHE U 41 63.737 -14.696 -6.017 1.00 0.00 C ATOM 0 H PHE U 41 58.515 -16.396 -5.295 1.00 0.00 H new ATOM 0 HA PHE U 41 58.887 -13.573 -4.607 1.00 0.00 H new ATOM 0 HB2 PHE U 41 59.231 -14.603 -7.445 1.00 0.00 H new ATOM 0 HB3 PHE U 41 59.435 -12.953 -6.892 1.00 0.00 H new ATOM 0 HD1 PHE U 41 61.032 -13.540 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE U 41 61.339 -15.005 -8.356 1.00 0.00 H new ATOM 0 HE1 PHE U 41 63.434 -13.934 -4.042 1.00 0.00 H new ATOM 0 HE2 PHE U 41 63.737 -15.406 -8.032 1.00 0.00 H new ATOM 0 HZ PHE U 41 64.793 -14.871 -5.873 1.00 0.00 H new ATOM 1159 N PRO U 42 56.245 -14.388 -4.965 1.00 0.00 N ATOM 1160 CA PRO U 42 54.830 -14.250 -5.301 1.00 0.00 C ATOM 1161 C PRO U 42 54.525 -12.848 -5.829 1.00 0.00 C ATOM 1162 O PRO U 42 54.540 -11.878 -5.074 1.00 0.00 O ATOM 1163 CB PRO U 42 54.103 -14.510 -3.973 1.00 0.00 C ATOM 1164 CG PRO U 42 55.156 -14.419 -2.915 1.00 0.00 C ATOM 1165 CD PRO U 42 56.451 -14.802 -3.575 1.00 0.00 C ATOM 0 HA PRO U 42 54.519 -14.937 -6.088 1.00 0.00 H new ATOM 0 HB2 PRO U 42 53.315 -13.775 -3.807 1.00 0.00 H new ATOM 0 HB3 PRO U 42 53.629 -15.491 -3.971 1.00 0.00 H new ATOM 0 HG2 PRO U 42 55.211 -13.410 -2.507 1.00 0.00 H new ATOM 0 HG3 PRO U 42 54.931 -15.087 -2.084 1.00 0.00 H new ATOM 0 HD2 PRO U 42 57.301 -14.291 -3.123 1.00 0.00 H new ATOM 0 HD3 PRO U 42 56.643 -15.872 -3.496 1.00 0.00 H new ATOM 1173 N VAL U 43 54.277 -12.760 -7.138 1.00 0.00 N ATOM 1174 CA VAL U 43 53.988 -11.488 -7.809 1.00 0.00 C ATOM 1175 C VAL U 43 53.442 -10.436 -6.847 1.00 0.00 C ATOM 1176 O VAL U 43 53.824 -9.268 -6.910 1.00 0.00 O ATOM 1177 CB VAL U 43 52.991 -11.670 -8.976 1.00 0.00 C ATOM 1178 CG1 VAL U 43 53.639 -11.280 -10.293 1.00 0.00 C ATOM 1179 CG2 VAL U 43 52.483 -13.100 -9.050 1.00 0.00 C ATOM 0 H VAL U 43 54.271 -13.566 -7.763 1.00 0.00 H new ATOM 0 HA VAL U 43 54.942 -11.138 -8.203 1.00 0.00 H new ATOM 0 HB VAL U 43 52.139 -11.016 -8.790 1.00 0.00 H new ATOM 0 HG11 VAL U 43 52.924 -11.414 -11.104 1.00 0.00 H new ATOM 0 HG12 VAL U 43 53.949 -10.236 -10.251 1.00 0.00 H new ATOM 0 HG13 VAL U 43 54.511 -11.910 -10.470 1.00 0.00 H new ATOM 0 HG21 VAL U 43 51.784 -13.195 -9.881 1.00 0.00 H new ATOM 0 HG22 VAL U 43 53.323 -13.777 -9.203 1.00 0.00 H new ATOM 0 HG23 VAL U 43 51.977 -13.355 -8.119 1.00 0.00 H new ATOM 1189 N ALA U 44 52.549 -10.854 -5.959 1.00 0.00 N ATOM 1190 CA ALA U 44 51.952 -9.945 -4.986 1.00 0.00 C ATOM 1191 C ALA U 44 53.013 -9.161 -4.211 1.00 0.00 C ATOM 1192 O ALA U 44 53.064 -7.933 -4.283 1.00 0.00 O ATOM 1193 CB ALA U 44 51.063 -10.718 -4.021 1.00 0.00 C ATOM 0 H ALA U 44 52.221 -11.818 -5.892 1.00 0.00 H new ATOM 0 HA ALA U 44 51.348 -9.225 -5.538 1.00 0.00 H new ATOM 0 HB1 ALA U 44 50.623 -10.029 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA U 44 50.269 -11.216 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA U 44 51.659 -11.463 -3.494 1.00 0.00 H new ATOM 1199 N GLY U 45 53.845 -9.876 -3.457 1.00 0.00 N ATOM 1200 CA GLY U 45 54.879 -9.231 -2.662 1.00 0.00 C ATOM 1201 C GLY U 45 56.178 -9.020 -3.405 1.00 0.00 C ATOM 1202 O GLY U 45 57.219 -8.803 -2.785 1.00 0.00 O ATOM 0 H GLY U 45 53.822 -10.893 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY U 45 54.509 -8.266 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY U 45 55.072 -9.835 -1.776 1.00 0.00 H new ATOM 1206 N GLN U 46 56.134 -9.087 -4.724 1.00 0.00 N ATOM 1207 CA GLN U 46 57.335 -8.905 -5.521 1.00 0.00 C ATOM 1208 C GLN U 46 57.815 -7.452 -5.484 1.00 0.00 C ATOM 1209 O GLN U 46 57.056 -6.508 -5.768 1.00 0.00 O ATOM 1210 CB GLN U 46 57.093 -9.356 -6.954 1.00 0.00 C ATOM 1211 CG GLN U 46 57.443 -10.815 -7.184 1.00 0.00 C ATOM 1212 CD GLN U 46 58.624 -10.994 -8.115 1.00 0.00 C ATOM 1213 OE1 GLN U 46 58.698 -12.157 -8.745 1.00 0.00 O flip ATOM 1214 NE2 GLN U 46 59.457 -10.100 -8.265 1.00 0.00 N flip ATOM 0 H GLN U 46 55.286 -9.265 -5.263 1.00 0.00 H new ATOM 0 HA GLN U 46 58.122 -9.523 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN U 46 56.045 -9.195 -7.208 1.00 0.00 H new ATOM 0 HB3 GLN U 46 57.683 -8.736 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN U 46 57.666 -11.286 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN U 46 56.577 -11.331 -7.599 1.00 0.00 H new ATOM 0 HE21 GLN U 46 59.358 -9.220 -7.758 1.00 0.00 H new ATOM 0 HE22 GLN U 46 60.246 -10.239 -8.896 1.00 0.00 H new ATOM 1223 N LYS U 47 59.089 -7.301 -5.128 1.00 0.00 N ATOM 1224 CA LYS U 47 59.748 -6.003 -5.031 1.00 0.00 C ATOM 1225 C LYS U 47 61.228 -6.169 -5.351 1.00 0.00 C ATOM 1226 O LYS U 47 61.684 -7.281 -5.597 1.00 0.00 O ATOM 1227 CB LYS U 47 59.582 -5.424 -3.623 1.00 0.00 C ATOM 1228 CG LYS U 47 58.161 -4.990 -3.303 1.00 0.00 C ATOM 1229 CD LYS U 47 58.034 -4.525 -1.861 1.00 0.00 C ATOM 1230 CE LYS U 47 56.583 -4.502 -1.410 1.00 0.00 C ATOM 1231 NZ LYS U 47 56.460 -4.222 0.048 1.00 0.00 N ATOM 0 H LYS U 47 59.698 -8.086 -4.897 1.00 0.00 H new ATOM 0 HA LYS U 47 59.292 -5.315 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS U 47 59.897 -6.170 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS U 47 60.248 -4.568 -3.511 1.00 0.00 H new ATOM 0 HG2 LYS U 47 57.865 -4.184 -3.974 1.00 0.00 H new ATOM 0 HG3 LYS U 47 57.477 -5.820 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS U 47 58.608 -5.187 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS U 47 58.464 -3.528 -1.760 1.00 0.00 H new ATOM 0 HE2 LYS U 47 56.040 -3.743 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS U 47 56.117 -5.461 -1.636 1.00 0.00 H new ATOM 0 HZ1 LYS U 47 55.455 -4.215 0.317 1.00 0.00 H new ATOM 0 HZ2 LYS U 47 56.957 -4.960 0.586 1.00 0.00 H new ATOM 0 HZ3 LYS U 47 56.882 -3.295 0.260 1.00 0.00 H new ATOM 1245 N LEU U 48 61.975 -5.070 -5.359 1.00 0.00 N ATOM 1246 CA LEU U 48 63.407 -5.126 -5.653 1.00 0.00 C ATOM 1247 C LEU U 48 64.120 -3.916 -5.074 1.00 0.00 C ATOM 1248 O LEU U 48 63.491 -2.934 -4.723 1.00 0.00 O ATOM 1249 CB LEU U 48 63.657 -5.220 -7.168 1.00 0.00 C ATOM 1250 CG LEU U 48 62.847 -6.295 -7.899 1.00 0.00 C ATOM 1251 CD1 LEU U 48 61.416 -5.849 -8.058 1.00 0.00 C ATOM 1252 CD2 LEU U 48 63.443 -6.600 -9.259 1.00 0.00 C ATOM 0 H LEU U 48 61.618 -4.134 -5.167 1.00 0.00 H new ATOM 0 HA LEU U 48 63.810 -6.024 -5.185 1.00 0.00 H new ATOM 0 HB2 LEU U 48 63.434 -4.252 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU U 48 64.717 -5.412 -7.334 1.00 0.00 H new ATOM 0 HG LEU U 48 62.878 -7.205 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU U 48 60.850 -6.621 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU U 48 60.977 -5.678 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU U 48 61.385 -4.925 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU U 48 62.847 -7.366 -9.754 1.00 0.00 H new ATOM 0 HD22 LEU U 48 63.446 -5.695 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU U 48 64.465 -6.958 -9.136 1.00 0.00 H new ATOM 1264 N ILE U 49 65.437 -3.991 -4.962 1.00 0.00 N ATOM 1265 CA ILE U 49 66.206 -2.878 -4.420 1.00 0.00 C ATOM 1266 C ILE U 49 67.228 -2.387 -5.423 1.00 0.00 C ATOM 1267 O ILE U 49 68.210 -3.072 -5.711 1.00 0.00 O ATOM 1268 CB ILE U 49 66.961 -3.241 -3.131 1.00 0.00 C ATOM 1269 CG1 ILE U 49 66.247 -4.342 -2.344 1.00 0.00 C ATOM 1270 CG2 ILE U 49 67.139 -2.000 -2.271 1.00 0.00 C ATOM 1271 CD1 ILE U 49 64.743 -4.260 -2.384 1.00 0.00 C ATOM 0 H ILE U 49 65.993 -4.801 -5.236 1.00 0.00 H new ATOM 0 HA ILE U 49 65.473 -2.103 -4.195 1.00 0.00 H new ATOM 0 HB ILE U 49 67.940 -3.629 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE U 49 66.556 -5.311 -2.736 1.00 0.00 H new ATOM 0 HG13 ILE U 49 66.574 -4.299 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE U 49 67.675 -2.263 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE U 49 67.709 -1.253 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE U 49 66.161 -1.593 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE U 49 64.318 -5.077 -1.801 1.00 0.00 H new ATOM 0 HD12 ILE U 49 64.419 -3.308 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE U 49 64.402 -4.335 -3.416 1.00 0.00 H new ATOM 1283 N TYR U 50 67.007 -1.193 -5.937 1.00 0.00 N ATOM 1284 CA TYR U 50 67.929 -0.610 -6.890 1.00 0.00 C ATOM 1285 C TYR U 50 68.557 0.649 -6.323 1.00 0.00 C ATOM 1286 O TYR U 50 67.988 1.734 -6.417 1.00 0.00 O ATOM 1287 CB TYR U 50 67.225 -0.297 -8.206 1.00 0.00 C ATOM 1288 CG TYR U 50 68.166 -0.282 -9.383 1.00 0.00 C ATOM 1289 CD1 TYR U 50 68.671 -1.464 -9.908 1.00 0.00 C ATOM 1290 CD2 TYR U 50 68.554 0.913 -9.967 1.00 0.00 C ATOM 1291 CE1 TYR U 50 69.536 -1.456 -10.981 1.00 0.00 C ATOM 1292 CE2 TYR U 50 69.416 0.932 -11.042 1.00 0.00 C ATOM 1293 CZ TYR U 50 69.906 -0.253 -11.546 1.00 0.00 C ATOM 1294 OH TYR U 50 70.770 -0.232 -12.615 1.00 0.00 O ATOM 0 H TYR U 50 66.201 -0.610 -5.712 1.00 0.00 H new ATOM 0 HA TYR U 50 68.716 -1.338 -7.084 1.00 0.00 H new ATOM 0 HB2 TYR U 50 66.444 -1.038 -8.380 1.00 0.00 H new ATOM 0 HB3 TYR U 50 66.733 0.672 -8.128 1.00 0.00 H new ATOM 0 HD1 TYR U 50 68.381 -2.407 -9.468 1.00 0.00 H new ATOM 0 HD2 TYR U 50 68.175 1.845 -9.573 1.00 0.00 H new ATOM 0 HE1 TYR U 50 69.921 -2.384 -11.376 1.00 0.00 H new ATOM 0 HE2 TYR U 50 69.706 1.872 -11.488 1.00 0.00 H new ATOM 0 HH TYR U 50 70.575 0.546 -13.178 1.00 0.00 H new ATOM 1304 N ALA U 51 69.733 0.505 -5.726 1.00 0.00 N ATOM 1305 CA ALA U 51 70.415 1.647 -5.144 1.00 0.00 C ATOM 1306 C ALA U 51 69.665 2.131 -3.910 1.00 0.00 C ATOM 1307 O ALA U 51 69.642 3.325 -3.610 1.00 0.00 O ATOM 1308 CB ALA U 51 70.518 2.759 -6.174 1.00 0.00 C ATOM 0 H ALA U 51 70.228 -0.382 -5.634 1.00 0.00 H new ATOM 0 HA ALA U 51 71.420 1.351 -4.842 1.00 0.00 H new ATOM 0 HB1 ALA U 51 71.030 3.615 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA U 51 71.080 2.404 -7.038 1.00 0.00 H new ATOM 0 HB3 ALA U 51 69.518 3.057 -6.489 1.00 0.00 H new ATOM 1314 N GLY U 52 69.034 1.193 -3.212 1.00 0.00 N ATOM 1315 CA GLY U 52 68.267 1.534 -2.030 1.00 0.00 C ATOM 1316 C GLY U 52 66.839 1.915 -2.377 1.00 0.00 C ATOM 1317 O GLY U 52 66.016 2.151 -1.493 1.00 0.00 O ATOM 0 H GLY U 52 69.041 0.200 -3.445 1.00 0.00 H new ATOM 0 HA2 GLY U 52 68.261 0.687 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY U 52 68.748 2.362 -1.510 1.00 0.00 H new ATOM 1321 N LYS U 53 66.553 1.976 -3.676 1.00 0.00 N ATOM 1322 CA LYS U 53 65.224 2.330 -4.166 1.00 0.00 C ATOM 1323 C LYS U 53 64.325 1.087 -4.282 1.00 0.00 C ATOM 1324 O LYS U 53 64.368 0.410 -5.306 1.00 0.00 O ATOM 1325 CB LYS U 53 65.339 2.964 -5.549 1.00 0.00 C ATOM 1326 CG LYS U 53 64.959 4.436 -5.578 1.00 0.00 C ATOM 1327 CD LYS U 53 63.462 4.628 -5.397 1.00 0.00 C ATOM 1328 CE LYS U 53 62.934 5.747 -6.279 1.00 0.00 C ATOM 1329 NZ LYS U 53 63.662 7.025 -6.048 1.00 0.00 N ATOM 0 H LYS U 53 67.231 1.783 -4.413 1.00 0.00 H new ATOM 0 HA LYS U 53 64.783 3.028 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS U 53 66.363 2.855 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS U 53 64.700 2.419 -6.244 1.00 0.00 H new ATOM 0 HG2 LYS U 53 65.493 4.966 -4.790 1.00 0.00 H new ATOM 0 HG3 LYS U 53 65.271 4.875 -6.526 1.00 0.00 H new ATOM 0 HD2 LYS U 53 62.943 3.699 -5.636 1.00 0.00 H new ATOM 0 HD3 LYS U 53 63.247 4.854 -4.353 1.00 0.00 H new ATOM 0 HE2 LYS U 53 63.028 5.459 -7.326 1.00 0.00 H new ATOM 0 HE3 LYS U 53 61.872 5.893 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS U 53 63.150 7.804 -6.509 1.00 0.00 H new ATOM 0 HZ2 LYS U 53 63.725 7.209 -5.026 1.00 0.00 H new ATOM 0 HZ3 LYS U 53 64.620 6.956 -6.447 1.00 0.00 H new ATOM 1343 N ILE U 54 63.511 0.772 -3.265 1.00 0.00 N ATOM 1344 CA ILE U 54 62.642 -0.393 -3.345 1.00 0.00 C ATOM 1345 C ILE U 54 61.542 -0.179 -4.402 1.00 0.00 C ATOM 1346 O ILE U 54 60.756 0.763 -4.305 1.00 0.00 O ATOM 1347 CB ILE U 54 62.013 -0.704 -1.957 1.00 0.00 C ATOM 1348 CG1 ILE U 54 62.785 -1.836 -1.272 1.00 0.00 C ATOM 1349 CG2 ILE U 54 60.533 -1.059 -2.065 1.00 0.00 C ATOM 1350 CD1 ILE U 54 62.246 -3.221 -1.574 1.00 0.00 C ATOM 0 H ILE U 54 63.441 1.301 -2.396 1.00 0.00 H new ATOM 0 HA ILE U 54 63.246 -1.249 -3.647 1.00 0.00 H new ATOM 0 HB ILE U 54 62.085 0.200 -1.352 1.00 0.00 H new ATOM 0 HG12 ILE U 54 63.829 -1.788 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE U 54 62.764 -1.676 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE U 54 60.136 -1.268 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE U 54 59.989 -0.223 -2.504 1.00 0.00 H new ATOM 0 HG23 ILE U 54 60.415 -1.940 -2.696 1.00 0.00 H new ATOM 0 HD11 ILE U 54 62.846 -3.967 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE U 54 61.211 -3.290 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE U 54 62.293 -3.404 -2.648 1.00 0.00 H new ATOM 1362 N LEU U 55 61.484 -1.069 -5.398 1.00 0.00 N ATOM 1363 CA LEU U 55 60.478 -0.987 -6.450 1.00 0.00 C ATOM 1364 C LEU U 55 59.426 -2.062 -6.239 1.00 0.00 C ATOM 1365 O LEU U 55 59.756 -3.230 -6.021 1.00 0.00 O ATOM 1366 CB LEU U 55 61.099 -1.161 -7.846 1.00 0.00 C ATOM 1367 CG LEU U 55 62.362 -2.020 -7.907 1.00 0.00 C ATOM 1368 CD1 LEU U 55 62.728 -2.327 -9.351 1.00 0.00 C ATOM 1369 CD2 LEU U 55 63.517 -1.322 -7.214 1.00 0.00 C ATOM 0 H LEU U 55 62.127 -1.855 -5.494 1.00 0.00 H new ATOM 0 HA LEU U 55 60.025 0.003 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU U 55 60.350 -1.601 -8.504 1.00 0.00 H new ATOM 0 HB3 LEU U 55 61.333 -0.174 -8.245 1.00 0.00 H new ATOM 0 HG LEU U 55 62.161 -2.958 -7.389 1.00 0.00 H new ATOM 0 HD11 LEU U 55 63.629 -2.939 -9.376 1.00 0.00 H new ATOM 0 HD12 LEU U 55 61.909 -2.867 -9.827 1.00 0.00 H new ATOM 0 HD13 LEU U 55 62.908 -1.395 -9.887 1.00 0.00 H new ATOM 0 HD21 LEU U 55 64.407 -1.949 -7.268 1.00 0.00 H new ATOM 0 HD22 LEU U 55 63.714 -0.369 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU U 55 63.261 -1.145 -6.169 1.00 0.00 H new ATOM 1381 N SER U 56 58.165 -1.669 -6.307 1.00 0.00 N ATOM 1382 CA SER U 56 57.075 -2.610 -6.128 1.00 0.00 C ATOM 1383 C SER U 56 56.464 -2.966 -7.489 1.00 0.00 C ATOM 1384 O SER U 56 56.513 -2.154 -8.408 1.00 0.00 O ATOM 1385 CB SER U 56 56.005 -1.999 -5.224 1.00 0.00 C ATOM 1386 OG SER U 56 54.756 -2.642 -5.403 1.00 0.00 O ATOM 0 H SER U 56 57.873 -0.708 -6.484 1.00 0.00 H new ATOM 0 HA SER U 56 57.461 -3.517 -5.662 1.00 0.00 H new ATOM 0 HB2 SER U 56 56.314 -2.083 -4.182 1.00 0.00 H new ATOM 0 HB3 SER U 56 55.904 -0.936 -5.442 1.00 0.00 H new ATOM 0 HG SER U 56 54.090 -2.233 -4.812 1.00 0.00 H new ATOM 1392 N ASP U 57 55.892 -4.168 -7.637 1.00 0.00 N ATOM 1393 CA ASP U 57 55.294 -4.562 -8.913 1.00 0.00 C ATOM 1394 C ASP U 57 54.447 -3.448 -9.541 1.00 0.00 C ATOM 1395 O ASP U 57 54.184 -3.480 -10.740 1.00 0.00 O ATOM 1396 CB ASP U 57 54.423 -5.802 -8.716 1.00 0.00 C ATOM 1397 CG ASP U 57 53.576 -5.720 -7.461 1.00 0.00 C ATOM 1398 OD1 ASP U 57 52.645 -4.887 -7.425 1.00 0.00 O ATOM 1399 OD2 ASP U 57 53.841 -6.489 -6.514 1.00 0.00 O ATOM 0 H ASP U 57 55.832 -4.872 -6.901 1.00 0.00 H new ATOM 0 HA ASP U 57 56.117 -4.774 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP U 57 53.773 -5.928 -9.582 1.00 0.00 H new ATOM 0 HB3 ASP U 57 55.060 -6.685 -8.664 1.00 0.00 H new ATOM 1404 N ASP U 58 53.989 -2.483 -8.744 1.00 0.00 N ATOM 1405 CA ASP U 58 53.142 -1.415 -9.279 1.00 0.00 C ATOM 1406 C ASP U 58 53.907 -0.110 -9.538 1.00 0.00 C ATOM 1407 O ASP U 58 53.327 0.974 -9.477 1.00 0.00 O ATOM 1408 CB ASP U 58 51.979 -1.143 -8.323 1.00 0.00 C ATOM 1409 CG ASP U 58 50.777 -2.024 -8.607 1.00 0.00 C ATOM 1410 OD1 ASP U 58 50.908 -2.962 -9.421 1.00 0.00 O ATOM 1411 OD2 ASP U 58 49.707 -1.775 -8.015 1.00 0.00 O ATOM 0 H ASP U 58 54.184 -2.417 -7.745 1.00 0.00 H new ATOM 0 HA ASP U 58 52.771 -1.765 -10.242 1.00 0.00 H new ATOM 0 HB2 ASP U 58 52.310 -1.305 -7.297 1.00 0.00 H new ATOM 0 HB3 ASP U 58 51.685 -0.096 -8.402 1.00 0.00 H new ATOM 1416 N VAL U 59 55.195 -0.211 -9.853 1.00 0.00 N ATOM 1417 CA VAL U 59 56.011 0.963 -10.149 1.00 0.00 C ATOM 1418 C VAL U 59 56.722 0.742 -11.475 1.00 0.00 C ATOM 1419 O VAL U 59 56.820 -0.380 -11.918 1.00 0.00 O ATOM 1420 CB VAL U 59 57.052 1.223 -9.041 1.00 0.00 C ATOM 1421 CG1 VAL U 59 56.427 1.036 -7.667 1.00 0.00 C ATOM 1422 CG2 VAL U 59 58.257 0.312 -9.211 1.00 0.00 C ATOM 0 H VAL U 59 55.698 -1.097 -9.910 1.00 0.00 H new ATOM 0 HA VAL U 59 55.359 1.835 -10.204 1.00 0.00 H new ATOM 0 HB VAL U 59 57.392 2.255 -9.126 1.00 0.00 H new ATOM 0 HG11 VAL U 59 57.176 1.224 -6.898 1.00 0.00 H new ATOM 0 HG12 VAL U 59 55.599 1.735 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL U 59 56.057 0.015 -7.572 1.00 0.00 H new ATOM 0 HG21 VAL U 59 58.979 0.512 -8.419 1.00 0.00 H new ATOM 0 HG22 VAL U 59 57.937 -0.729 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL U 59 58.720 0.498 -10.180 1.00 0.00 H new ATOM 1432 N PRO U 60 57.220 1.785 -12.142 1.00 0.00 N ATOM 1433 CA PRO U 60 57.898 1.625 -13.423 1.00 0.00 C ATOM 1434 C PRO U 60 59.344 1.170 -13.264 1.00 0.00 C ATOM 1435 O PRO U 60 60.127 1.785 -12.544 1.00 0.00 O ATOM 1436 CB PRO U 60 57.815 3.015 -14.065 1.00 0.00 C ATOM 1437 CG PRO U 60 57.110 3.894 -13.067 1.00 0.00 C ATOM 1438 CD PRO U 60 57.165 3.184 -11.739 1.00 0.00 C ATOM 0 HA PRO U 60 57.434 0.850 -14.032 1.00 0.00 H new ATOM 0 HB2 PRO U 60 58.809 3.400 -14.290 1.00 0.00 H new ATOM 0 HB3 PRO U 60 57.267 2.977 -15.007 1.00 0.00 H new ATOM 0 HG2 PRO U 60 57.593 4.869 -13.003 1.00 0.00 H new ATOM 0 HG3 PRO U 60 56.077 4.069 -13.369 1.00 0.00 H new ATOM 0 HD2 PRO U 60 58.040 3.475 -11.157 1.00 0.00 H new ATOM 0 HD3 PRO U 60 56.289 3.397 -11.126 1.00 0.00 H new ATOM 1446 N ILE U 61 59.680 0.079 -13.947 1.00 0.00 N ATOM 1447 CA ILE U 61 61.025 -0.490 -13.904 1.00 0.00 C ATOM 1448 C ILE U 61 62.058 0.553 -14.312 1.00 0.00 C ATOM 1449 O ILE U 61 63.155 0.609 -13.758 1.00 0.00 O ATOM 1450 CB ILE U 61 61.129 -1.699 -14.863 1.00 0.00 C ATOM 1451 CG1 ILE U 61 62.560 -2.248 -14.943 1.00 0.00 C ATOM 1452 CG2 ILE U 61 60.646 -1.301 -16.246 1.00 0.00 C ATOM 1453 CD1 ILE U 61 63.511 -1.365 -15.725 1.00 0.00 C ATOM 0 H ILE U 61 59.031 -0.434 -14.544 1.00 0.00 H new ATOM 0 HA ILE U 61 61.220 -0.816 -12.882 1.00 0.00 H new ATOM 0 HB ILE U 61 60.496 -2.493 -14.466 1.00 0.00 H new ATOM 0 HG12 ILE U 61 62.947 -2.377 -13.932 1.00 0.00 H new ATOM 0 HG13 ILE U 61 62.535 -3.236 -15.403 1.00 0.00 H new ATOM 0 HG21 ILE U 61 60.721 -2.156 -16.918 1.00 0.00 H new ATOM 0 HG22 ILE U 61 59.608 -0.975 -16.189 1.00 0.00 H new ATOM 0 HG23 ILE U 61 61.262 -0.486 -16.626 1.00 0.00 H new ATOM 0 HD11 ILE U 61 64.502 -1.819 -15.737 1.00 0.00 H new ATOM 0 HD12 ILE U 61 63.149 -1.256 -16.747 1.00 0.00 H new ATOM 0 HD13 ILE U 61 63.567 -0.384 -15.254 1.00 0.00 H new ATOM 1465 N ARG U 62 61.693 1.378 -15.291 1.00 0.00 N ATOM 1466 CA ARG U 62 62.576 2.427 -15.784 1.00 0.00 C ATOM 1467 C ARG U 62 62.815 3.461 -14.695 1.00 0.00 C ATOM 1468 O ARG U 62 63.861 4.107 -14.653 1.00 0.00 O ATOM 1469 CB ARG U 62 61.970 3.082 -17.032 1.00 0.00 C ATOM 1470 CG ARG U 62 62.127 4.595 -17.093 1.00 0.00 C ATOM 1471 CD ARG U 62 62.278 5.083 -18.525 1.00 0.00 C ATOM 1472 NE ARG U 62 62.633 6.497 -18.586 1.00 0.00 N ATOM 1473 CZ ARG U 62 63.239 7.059 -19.627 1.00 0.00 C ATOM 1474 NH1 ARG U 62 63.553 6.327 -20.687 1.00 0.00 N ATOM 1475 NH2 ARG U 62 63.531 8.352 -19.609 1.00 0.00 N ATOM 0 H ARG U 62 60.787 1.338 -15.759 1.00 0.00 H new ATOM 0 HA ARG U 62 63.535 1.987 -16.058 1.00 0.00 H new ATOM 0 HB2 ARG U 62 62.434 2.646 -17.917 1.00 0.00 H new ATOM 0 HB3 ARG U 62 60.909 2.838 -17.075 1.00 0.00 H new ATOM 0 HG2 ARG U 62 61.260 5.070 -16.635 1.00 0.00 H new ATOM 0 HG3 ARG U 62 62.999 4.895 -16.512 1.00 0.00 H new ATOM 0 HD2 ARG U 62 63.044 4.495 -19.030 1.00 0.00 H new ATOM 0 HD3 ARG U 62 61.345 4.920 -19.064 1.00 0.00 H new ATOM 0 HE ARG U 62 62.404 7.087 -17.786 1.00 0.00 H new ATOM 0 HH11 ARG U 62 63.330 5.332 -20.704 1.00 0.00 H new ATOM 0 HH12 ARG U 62 64.018 6.759 -21.485 1.00 0.00 H new ATOM 0 HH21 ARG U 62 63.291 8.918 -18.795 1.00 0.00 H new ATOM 0 HH22 ARG U 62 63.996 8.781 -20.409 1.00 0.00 H new ATOM 1489 N ASP U 63 61.839 3.602 -13.810 1.00 0.00 N ATOM 1490 CA ASP U 63 61.944 4.545 -12.709 1.00 0.00 C ATOM 1491 C ASP U 63 63.097 4.136 -11.797 1.00 0.00 C ATOM 1492 O ASP U 63 63.636 4.955 -11.052 1.00 0.00 O ATOM 1493 CB ASP U 63 60.637 4.582 -11.914 1.00 0.00 C ATOM 1494 CG ASP U 63 60.497 5.847 -11.091 1.00 0.00 C ATOM 1495 OD1 ASP U 63 61.491 6.252 -10.452 1.00 0.00 O ATOM 1496 OD2 ASP U 63 59.394 6.432 -11.084 1.00 0.00 O ATOM 0 H ASP U 63 60.966 3.075 -13.834 1.00 0.00 H new ATOM 0 HA ASP U 63 62.134 5.540 -13.110 1.00 0.00 H new ATOM 0 HB2 ASP U 63 59.795 4.504 -12.601 1.00 0.00 H new ATOM 0 HB3 ASP U 63 60.592 3.716 -11.254 1.00 0.00 H new ATOM 1501 N TYR U 64 63.470 2.854 -11.865 1.00 0.00 N ATOM 1502 CA TYR U 64 64.554 2.324 -11.050 1.00 0.00 C ATOM 1503 C TYR U 64 65.765 1.978 -11.910 1.00 0.00 C ATOM 1504 O TYR U 64 66.574 1.133 -11.536 1.00 0.00 O ATOM 1505 CB TYR U 64 64.068 1.091 -10.293 1.00 0.00 C ATOM 1506 CG TYR U 64 62.886 1.393 -9.406 1.00 0.00 C ATOM 1507 CD1 TYR U 64 61.637 1.655 -9.950 1.00 0.00 C ATOM 1508 CD2 TYR U 64 63.028 1.444 -8.029 1.00 0.00 C ATOM 1509 CE1 TYR U 64 60.559 1.955 -9.143 1.00 0.00 C ATOM 1510 CE2 TYR U 64 61.957 1.748 -7.211 1.00 0.00 C ATOM 1511 CZ TYR U 64 60.723 2.004 -7.773 1.00 0.00 C ATOM 1512 OH TYR U 64 59.652 2.307 -6.964 1.00 0.00 O ATOM 0 H TYR U 64 63.032 2.167 -12.479 1.00 0.00 H new ATOM 0 HA TYR U 64 64.860 3.088 -10.335 1.00 0.00 H new ATOM 0 HB2 TYR U 64 63.795 0.314 -11.007 1.00 0.00 H new ATOM 0 HB3 TYR U 64 64.883 0.695 -9.687 1.00 0.00 H new ATOM 0 HD1 TYR U 64 61.507 1.624 -11.022 1.00 0.00 H new ATOM 0 HD2 TYR U 64 63.993 1.243 -7.587 1.00 0.00 H new ATOM 0 HE1 TYR U 64 59.591 2.151 -9.581 1.00 0.00 H new ATOM 0 HE2 TYR U 64 62.085 1.785 -6.139 1.00 0.00 H new ATOM 0 HH TYR U 64 59.898 2.159 -6.027 1.00 0.00 H new ATOM 1522 N ARG U 65 65.875 2.649 -13.058 1.00 0.00 N ATOM 1523 CA ARG U 65 66.982 2.445 -13.992 1.00 0.00 C ATOM 1524 C ARG U 65 67.683 1.105 -13.781 1.00 0.00 C ATOM 1525 O ARG U 65 68.891 1.060 -13.551 1.00 0.00 O ATOM 1526 CB ARG U 65 67.995 3.582 -13.855 1.00 0.00 C ATOM 1527 CG ARG U 65 68.244 4.335 -15.150 1.00 0.00 C ATOM 1528 CD ARG U 65 69.724 4.372 -15.495 1.00 0.00 C ATOM 1529 NE ARG U 65 70.480 5.208 -14.568 1.00 0.00 N ATOM 1530 CZ ARG U 65 71.805 5.321 -14.594 1.00 0.00 C ATOM 1531 NH1 ARG U 65 72.512 4.655 -15.495 1.00 0.00 N ATOM 1532 NH2 ARG U 65 72.422 6.103 -13.718 1.00 0.00 N ATOM 0 H ARG U 65 65.199 3.348 -13.366 1.00 0.00 H new ATOM 0 HA ARG U 65 66.559 2.439 -14.997 1.00 0.00 H new ATOM 0 HB2 ARG U 65 67.641 4.283 -13.099 1.00 0.00 H new ATOM 0 HB3 ARG U 65 68.939 3.174 -13.494 1.00 0.00 H new ATOM 0 HG2 ARG U 65 67.692 3.860 -15.961 1.00 0.00 H new ATOM 0 HG3 ARG U 65 67.865 5.353 -15.059 1.00 0.00 H new ATOM 0 HD2 ARG U 65 70.125 3.359 -15.480 1.00 0.00 H new ATOM 0 HD3 ARG U 65 69.851 4.750 -16.510 1.00 0.00 H new ATOM 0 HE ARG U 65 69.965 5.734 -13.862 1.00 0.00 H new ATOM 0 HH11 ARG U 65 72.040 4.054 -16.171 1.00 0.00 H new ATOM 0 HH12 ARG U 65 73.528 4.743 -15.513 1.00 0.00 H new ATOM 0 HH21 ARG U 65 71.880 6.618 -13.024 1.00 0.00 H new ATOM 0 HH22 ARG U 65 73.438 6.189 -13.738 1.00 0.00 H new ATOM 1546 N ILE U 66 66.930 0.015 -13.885 1.00 0.00 N ATOM 1547 CA ILE U 66 67.507 -1.316 -13.725 1.00 0.00 C ATOM 1548 C ILE U 66 68.203 -1.720 -15.019 1.00 0.00 C ATOM 1549 O ILE U 66 67.572 -2.235 -15.941 1.00 0.00 O ATOM 1550 CB ILE U 66 66.447 -2.383 -13.356 1.00 0.00 C ATOM 1551 CG1 ILE U 66 65.311 -1.774 -12.518 1.00 0.00 C ATOM 1552 CG2 ILE U 66 67.103 -3.537 -12.608 1.00 0.00 C ATOM 1553 CD1 ILE U 66 65.523 -1.877 -11.023 1.00 0.00 C ATOM 0 H ILE U 66 65.928 0.025 -14.077 1.00 0.00 H new ATOM 0 HA ILE U 66 68.219 -1.268 -12.901 1.00 0.00 H new ATOM 0 HB ILE U 66 66.011 -2.763 -14.280 1.00 0.00 H new ATOM 0 HG12 ILE U 66 65.198 -0.724 -12.787 1.00 0.00 H new ATOM 0 HG13 ILE U 66 64.376 -2.271 -12.777 1.00 0.00 H new ATOM 0 HG21 ILE U 66 66.348 -4.281 -12.353 1.00 0.00 H new ATOM 0 HG22 ILE U 66 67.865 -3.994 -13.240 1.00 0.00 H new ATOM 0 HG23 ILE U 66 67.566 -3.163 -11.695 1.00 0.00 H new ATOM 0 HD11 ILE U 66 64.678 -1.425 -10.504 1.00 0.00 H new ATOM 0 HD12 ILE U 66 65.604 -2.926 -10.738 1.00 0.00 H new ATOM 0 HD13 ILE U 66 66.439 -1.354 -10.749 1.00 0.00 H new ATOM 1565 N ASP U 67 69.504 -1.446 -15.095 1.00 0.00 N ATOM 1566 CA ASP U 67 70.278 -1.744 -16.295 1.00 0.00 C ATOM 1567 C ASP U 67 70.904 -3.133 -16.244 1.00 0.00 C ATOM 1568 O ASP U 67 71.103 -3.700 -15.174 1.00 0.00 O ATOM 1569 CB ASP U 67 71.368 -0.680 -16.494 1.00 0.00 C ATOM 1570 CG ASP U 67 71.918 -0.155 -15.182 1.00 0.00 C ATOM 1571 OD1 ASP U 67 72.833 -0.795 -14.622 1.00 0.00 O ATOM 1572 OD2 ASP U 67 71.435 0.898 -14.714 1.00 0.00 O ATOM 0 H ASP U 67 70.042 -1.019 -14.341 1.00 0.00 H new ATOM 0 HA ASP U 67 69.591 -1.727 -17.141 1.00 0.00 H new ATOM 0 HB2 ASP U 67 72.182 -1.105 -17.081 1.00 0.00 H new ATOM 0 HB3 ASP U 67 70.959 0.150 -17.070 1.00 0.00 H new ATOM 1577 N GLU U 68 71.214 -3.677 -17.419 1.00 0.00 N ATOM 1578 CA GLU U 68 71.821 -4.996 -17.511 1.00 0.00 C ATOM 1579 C GLU U 68 73.152 -5.024 -16.769 1.00 0.00 C ATOM 1580 O GLU U 68 73.535 -6.046 -16.199 1.00 0.00 O ATOM 1581 CB GLU U 68 72.028 -5.389 -18.976 1.00 0.00 C ATOM 1582 CG GLU U 68 72.015 -6.891 -19.209 1.00 0.00 C ATOM 1583 CD GLU U 68 72.892 -7.308 -20.373 1.00 0.00 C ATOM 1584 OE1 GLU U 68 73.624 -6.447 -20.903 1.00 0.00 O ATOM 1585 OE2 GLU U 68 72.846 -8.498 -20.754 1.00 0.00 O ATOM 0 H GLU U 68 71.054 -3.222 -18.318 1.00 0.00 H new ATOM 0 HA GLU U 68 71.147 -5.716 -17.047 1.00 0.00 H new ATOM 0 HB2 GLU U 68 71.247 -4.929 -19.581 1.00 0.00 H new ATOM 0 HB3 GLU U 68 72.979 -4.984 -19.322 1.00 0.00 H new ATOM 0 HG2 GLU U 68 72.352 -7.398 -18.305 1.00 0.00 H new ATOM 0 HG3 GLU U 68 70.992 -7.217 -19.395 1.00 0.00 H new ATOM 1592 N LYS U 69 73.850 -3.892 -16.774 1.00 0.00 N ATOM 1593 CA LYS U 69 75.134 -3.785 -16.095 1.00 0.00 C ATOM 1594 C LYS U 69 74.940 -3.777 -14.580 1.00 0.00 C ATOM 1595 O LYS U 69 75.846 -4.140 -13.830 1.00 0.00 O ATOM 1596 CB LYS U 69 75.868 -2.515 -16.536 1.00 0.00 C ATOM 1597 CG LYS U 69 77.300 -2.761 -16.987 1.00 0.00 C ATOM 1598 CD LYS U 69 78.303 -2.214 -15.983 1.00 0.00 C ATOM 1599 CE LYS U 69 79.351 -1.347 -16.662 1.00 0.00 C ATOM 1600 NZ LYS U 69 80.136 -0.551 -15.678 1.00 0.00 N ATOM 0 H LYS U 69 73.547 -3.037 -17.241 1.00 0.00 H new ATOM 0 HA LYS U 69 75.737 -4.652 -16.366 1.00 0.00 H new ATOM 0 HB2 LYS U 69 75.314 -2.051 -17.352 1.00 0.00 H new ATOM 0 HB3 LYS U 69 75.874 -1.804 -15.710 1.00 0.00 H new ATOM 0 HG2 LYS U 69 77.462 -3.831 -17.119 1.00 0.00 H new ATOM 0 HG3 LYS U 69 77.462 -2.292 -17.957 1.00 0.00 H new ATOM 0 HD2 LYS U 69 77.780 -1.630 -15.226 1.00 0.00 H new ATOM 0 HD3 LYS U 69 78.791 -3.041 -15.467 1.00 0.00 H new ATOM 0 HE2 LYS U 69 80.026 -1.979 -17.239 1.00 0.00 H new ATOM 0 HE3 LYS U 69 78.864 -0.674 -17.367 1.00 0.00 H new ATOM 0 HZ1 LYS U 69 80.840 0.026 -16.181 1.00 0.00 H new ATOM 0 HZ2 LYS U 69 79.495 0.071 -15.144 1.00 0.00 H new ATOM 0 HZ3 LYS U 69 80.622 -1.194 -15.020 1.00 0.00 H new ATOM 1614 N ASN U 70 73.753 -3.362 -14.131 1.00 0.00 N ATOM 1615 CA ASN U 70 73.457 -3.318 -12.702 1.00 0.00 C ATOM 1616 C ASN U 70 72.161 -4.047 -12.382 1.00 0.00 C ATOM 1617 O ASN U 70 71.098 -3.689 -12.886 1.00 0.00 O ATOM 1618 CB ASN U 70 73.349 -1.876 -12.214 1.00 0.00 C ATOM 1619 CG ASN U 70 73.859 -1.725 -10.795 1.00 0.00 C ATOM 1620 OD1 ASN U 70 73.604 -2.738 -9.969 1.00 0.00 O flip ATOM 1621 ND2 ASN U 70 74.473 -0.717 -10.445 1.00 0.00 N flip ATOM 0 H ASN U 70 72.989 -3.055 -14.733 1.00 0.00 H new ATOM 0 HA ASN U 70 74.280 -3.816 -12.189 1.00 0.00 H new ATOM 0 HB2 ASN U 70 73.918 -1.224 -12.877 1.00 0.00 H new ATOM 0 HB3 ASN U 70 72.309 -1.552 -12.264 1.00 0.00 H new ATOM 0 HD21 ASN U 70 74.645 0.034 -11.114 1.00 0.00 H new ATOM 0 HD22 ASN U 70 74.810 -0.633 -9.486 1.00 0.00 H new ATOM 1628 N PHE U 71 72.245 -5.062 -11.534 1.00 0.00 N ATOM 1629 CA PHE U 71 71.058 -5.813 -11.161 1.00 0.00 C ATOM 1630 C PHE U 71 70.368 -5.232 -9.945 1.00 0.00 C ATOM 1631 O PHE U 71 70.975 -4.569 -9.105 1.00 0.00 O ATOM 1632 CB PHE U 71 71.363 -7.279 -10.881 1.00 0.00 C ATOM 1633 CG PHE U 71 72.589 -7.512 -10.070 1.00 0.00 C ATOM 1634 CD1 PHE U 71 72.651 -7.098 -8.755 1.00 0.00 C ATOM 1635 CD2 PHE U 71 73.677 -8.155 -10.626 1.00 0.00 C ATOM 1636 CE1 PHE U 71 73.783 -7.319 -8.005 1.00 0.00 C ATOM 1637 CE2 PHE U 71 74.813 -8.381 -9.885 1.00 0.00 C ATOM 1638 CZ PHE U 71 74.871 -7.961 -8.569 1.00 0.00 C ATOM 0 H PHE U 71 73.110 -5.380 -11.097 1.00 0.00 H new ATOM 0 HA PHE U 71 70.395 -5.740 -12.023 1.00 0.00 H new ATOM 0 HB2 PHE U 71 70.512 -7.722 -10.364 1.00 0.00 H new ATOM 0 HB3 PHE U 71 71.467 -7.803 -11.831 1.00 0.00 H new ATOM 0 HD1 PHE U 71 71.804 -6.596 -8.311 1.00 0.00 H new ATOM 0 HD2 PHE U 71 73.635 -8.484 -11.654 1.00 0.00 H new ATOM 0 HE1 PHE U 71 73.822 -6.992 -6.977 1.00 0.00 H new ATOM 0 HE2 PHE U 71 75.658 -8.885 -10.330 1.00 0.00 H new ATOM 0 HZ PHE U 71 75.762 -8.133 -7.984 1.00 0.00 H new ATOM 1648 N VAL U 72 69.088 -5.527 -9.870 1.00 0.00 N ATOM 1649 CA VAL U 72 68.241 -5.103 -8.786 1.00 0.00 C ATOM 1650 C VAL U 72 67.763 -6.335 -8.012 1.00 0.00 C ATOM 1651 O VAL U 72 67.085 -7.201 -8.565 1.00 0.00 O ATOM 1652 CB VAL U 72 67.037 -4.319 -9.343 1.00 0.00 C ATOM 1653 CG1 VAL U 72 65.939 -5.257 -9.796 1.00 0.00 C ATOM 1654 CG2 VAL U 72 66.509 -3.337 -8.322 1.00 0.00 C ATOM 0 H VAL U 72 68.602 -6.079 -10.576 1.00 0.00 H new ATOM 0 HA VAL U 72 68.799 -4.451 -8.113 1.00 0.00 H new ATOM 0 HB VAL U 72 67.382 -3.756 -10.210 1.00 0.00 H new ATOM 0 HG11 VAL U 72 65.102 -4.677 -10.184 1.00 0.00 H new ATOM 0 HG12 VAL U 72 66.320 -5.912 -10.579 1.00 0.00 H new ATOM 0 HG13 VAL U 72 65.603 -5.858 -8.951 1.00 0.00 H new ATOM 0 HG21 VAL U 72 65.660 -2.797 -8.741 1.00 0.00 H new ATOM 0 HG22 VAL U 72 66.192 -3.876 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL U 72 67.294 -2.629 -8.058 1.00 0.00 H new ATOM 1664 N VAL U 73 68.133 -6.429 -6.744 1.00 0.00 N ATOM 1665 CA VAL U 73 67.743 -7.561 -5.931 1.00 0.00 C ATOM 1666 C VAL U 73 66.226 -7.706 -5.925 1.00 0.00 C ATOM 1667 O VAL U 73 65.502 -6.721 -5.957 1.00 0.00 O ATOM 1668 CB VAL U 73 68.287 -7.417 -4.486 1.00 0.00 C ATOM 1669 CG1 VAL U 73 67.221 -7.739 -3.442 1.00 0.00 C ATOM 1670 CG2 VAL U 73 69.512 -8.298 -4.288 1.00 0.00 C ATOM 0 H VAL U 73 68.702 -5.734 -6.260 1.00 0.00 H new ATOM 0 HA VAL U 73 68.177 -8.463 -6.363 1.00 0.00 H new ATOM 0 HB VAL U 73 68.575 -6.375 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL U 73 67.644 -7.626 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL U 73 66.379 -7.057 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL U 73 66.878 -8.765 -3.577 1.00 0.00 H new ATOM 0 HG21 VAL U 73 69.881 -8.185 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL U 73 69.243 -9.340 -4.463 1.00 0.00 H new ATOM 0 HG23 VAL U 73 70.291 -8.002 -4.991 1.00 0.00 H new ATOM 1680 N VAL U 74 65.768 -8.939 -5.880 1.00 0.00 N ATOM 1681 CA VAL U 74 64.333 -9.240 -5.861 1.00 0.00 C ATOM 1682 C VAL U 74 63.916 -9.773 -4.482 1.00 0.00 C ATOM 1683 O VAL U 74 64.352 -10.844 -4.061 1.00 0.00 O ATOM 1684 CB VAL U 74 63.959 -10.248 -6.987 1.00 0.00 C ATOM 1685 CG1 VAL U 74 65.205 -10.916 -7.546 1.00 0.00 C ATOM 1686 CG2 VAL U 74 62.959 -11.300 -6.515 1.00 0.00 C ATOM 0 H VAL U 74 66.367 -9.764 -5.855 1.00 0.00 H new ATOM 0 HA VAL U 74 63.786 -8.316 -6.050 1.00 0.00 H new ATOM 0 HB VAL U 74 63.477 -9.675 -7.779 1.00 0.00 H new ATOM 0 HG11 VAL U 74 64.921 -11.616 -8.331 1.00 0.00 H new ATOM 0 HG12 VAL U 74 65.870 -10.158 -7.959 1.00 0.00 H new ATOM 0 HG13 VAL U 74 65.718 -11.454 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL U 74 62.730 -11.979 -7.336 1.00 0.00 H new ATOM 0 HG22 VAL U 74 63.388 -11.864 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL U 74 62.044 -10.809 -6.184 1.00 0.00 H new ATOM 1696 N MET U 75 63.077 -9.006 -3.786 1.00 0.00 N ATOM 1697 CA MET U 75 62.596 -9.362 -2.458 1.00 0.00 C ATOM 1698 C MET U 75 61.084 -9.551 -2.465 1.00 0.00 C ATOM 1699 O MET U 75 60.356 -8.765 -3.071 1.00 0.00 O ATOM 1700 CB MET U 75 62.978 -8.257 -1.464 1.00 0.00 C ATOM 1701 CG MET U 75 62.030 -8.121 -0.279 1.00 0.00 C ATOM 1702 SD MET U 75 62.307 -6.609 0.663 1.00 0.00 S ATOM 1703 CE MET U 75 64.064 -6.368 0.410 1.00 0.00 C ATOM 0 H MET U 75 62.713 -8.118 -4.131 1.00 0.00 H new ATOM 0 HA MET U 75 63.058 -10.302 -2.158 1.00 0.00 H new ATOM 0 HB2 MET U 75 63.983 -8.454 -1.089 1.00 0.00 H new ATOM 0 HB3 MET U 75 63.016 -7.305 -1.994 1.00 0.00 H new ATOM 0 HG2 MET U 75 61.001 -8.137 -0.638 1.00 0.00 H new ATOM 0 HG3 MET U 75 62.151 -8.982 0.379 1.00 0.00 H new ATOM 0 HE1 MET U 75 64.282 -5.301 0.366 1.00 0.00 H new ATOM 0 HE2 MET U 75 64.616 -6.817 1.236 1.00 0.00 H new ATOM 0 HE3 MET U 75 64.365 -6.839 -0.526 1.00 0.00 H new ATOM 1713 N VAL U 76 60.615 -10.585 -1.777 1.00 0.00 N ATOM 1714 CA VAL U 76 59.188 -10.860 -1.701 1.00 0.00 C ATOM 1715 C VAL U 76 58.825 -11.552 -0.392 1.00 0.00 C ATOM 1716 O VAL U 76 59.629 -12.291 0.177 1.00 0.00 O ATOM 1717 CB VAL U 76 58.719 -11.730 -2.880 1.00 0.00 C ATOM 1718 CG1 VAL U 76 57.222 -11.576 -3.091 1.00 0.00 C ATOM 1719 CG2 VAL U 76 59.486 -11.363 -4.142 1.00 0.00 C ATOM 0 H VAL U 76 61.201 -11.245 -1.265 1.00 0.00 H new ATOM 0 HA VAL U 76 58.680 -9.897 -1.747 1.00 0.00 H new ATOM 0 HB VAL U 76 58.922 -12.775 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL U 76 56.907 -12.198 -3.929 1.00 0.00 H new ATOM 0 HG12 VAL U 76 56.694 -11.886 -2.190 1.00 0.00 H new ATOM 0 HG13 VAL U 76 56.990 -10.533 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL U 76 59.145 -11.986 -4.969 1.00 0.00 H new ATOM 0 HG22 VAL U 76 59.312 -10.314 -4.382 1.00 0.00 H new ATOM 0 HG23 VAL U 76 60.552 -11.526 -3.981 1.00 0.00 H new