USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=20 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 138:sc= -0.76 (180deg=0) USER MOD Set 1.2: U 75 MET CE :methyl -126:sc= -12.1! (180deg=-12.4!) USER MOD Set 2.1: S 293 MET CE :methyl -163:sc= -13.3! (180deg=-14.7!) USER MOD Set 2.2: U 8 LYS NZ :NH3+ -112:sc= -0.604 (180deg=-0.642) USER MOD Single : S 286 GLN :FLIP amide:sc= -1.09! C(o=-3.5!,f=-1.1!) USER MOD Single : S 289 TYR OH : rot 180:sc= 0 USER MOD Single : S 292 GLN : amide:sc= -0.0167 K(o=-0.017,f=-0.97) USER MOD Single : S 294 SER OG : rot -26:sc= -1.57! USER MOD Single : U 4 THR OG1 : rot 180:sc= 0 USER MOD Single : U 6 THR OG1 : rot 179:sc= -0.161 USER MOD Single : U 9 THR OG1 : rot -80:sc= -0.473 USER MOD Single : U 11 GLN : amide:sc= -2.72! C(o=-2.7!,f=-4.2!) USER MOD Single : U 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : U 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : U 14 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : U 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : U 19 MET CE :methyl -120:sc= -14.4! (180deg=-17.6!) USER MOD Single : U 24 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : U 26 LYS NZ :NH3+ -157:sc= -2.17! (180deg=-2.86!) USER MOD Single : U 29 LYS NZ :NH3+ -161:sc= -8.49! (180deg=-11.3!) USER MOD Single : U 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0503) USER MOD Single : U 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : U 46 GLN : amide:sc= -7.06! C(o=-7.1!,f=-7.4!) USER MOD Single : U 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : U 50 TYR OH : rot -119:sc= -3.93! USER MOD Single : U 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : U 56 SER OG : rot 180:sc= 0.193 USER MOD Single : U 64 TYR OH : rot 180:sc= -0.914 USER MOD Single : U 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : U 70 ASN :FLIP amide:sc= 0.0658 F(o=-1.7,f=0.066) USER MOD ----------------------------------------------------------------- ATOM 205 N GLU S 284 61.585 -12.738 5.618 1.00 0.00 N ATOM 206 CA GLU S 284 62.784 -12.326 6.346 1.00 0.00 C ATOM 207 C GLU S 284 64.071 -12.758 5.652 1.00 0.00 C ATOM 208 O GLU S 284 65.107 -12.107 5.795 1.00 0.00 O ATOM 209 CB GLU S 284 62.748 -12.887 7.767 1.00 0.00 C ATOM 210 CG GLU S 284 62.944 -14.393 7.829 1.00 0.00 C ATOM 211 CD GLU S 284 63.402 -14.867 9.195 1.00 0.00 C ATOM 212 OE1 GLU S 284 62.533 -15.143 10.048 1.00 0.00 O ATOM 213 OE2 GLU S 284 64.627 -14.960 9.411 1.00 0.00 O ATOM 0 HA GLU S 284 62.784 -11.236 6.373 1.00 0.00 H new ATOM 0 HB2 GLU S 284 63.524 -12.403 8.360 1.00 0.00 H new ATOM 0 HB3 GLU S 284 61.792 -12.634 8.225 1.00 0.00 H new ATOM 0 HG2 GLU S 284 62.008 -14.888 7.572 1.00 0.00 H new ATOM 0 HG3 GLU S 284 63.678 -14.691 7.080 1.00 0.00 H new ATOM 220 N GLU S 285 64.011 -13.853 4.916 1.00 0.00 N ATOM 221 CA GLU S 285 65.191 -14.358 4.228 1.00 0.00 C ATOM 222 C GLU S 285 65.392 -13.681 2.887 1.00 0.00 C ATOM 223 O GLU S 285 66.503 -13.628 2.368 1.00 0.00 O ATOM 224 CB GLU S 285 65.096 -15.859 4.032 1.00 0.00 C ATOM 225 CG GLU S 285 66.200 -16.613 4.747 1.00 0.00 C ATOM 226 CD GLU S 285 66.447 -16.095 6.150 1.00 0.00 C ATOM 227 OE1 GLU S 285 65.520 -16.175 6.983 1.00 0.00 O ATOM 228 OE2 GLU S 285 67.567 -15.611 6.416 1.00 0.00 O ATOM 0 H GLU S 285 63.166 -14.408 4.778 1.00 0.00 H new ATOM 0 HA GLU S 285 66.051 -14.130 4.857 1.00 0.00 H new ATOM 0 HB2 GLU S 285 64.129 -16.208 4.395 1.00 0.00 H new ATOM 0 HB3 GLU S 285 65.138 -16.086 2.967 1.00 0.00 H new ATOM 0 HG2 GLU S 285 65.940 -17.671 4.795 1.00 0.00 H new ATOM 0 HG3 GLU S 285 67.121 -16.537 4.168 1.00 0.00 H new ATOM 235 N GLN S 286 64.319 -13.157 2.338 1.00 0.00 N ATOM 236 CA GLN S 286 64.389 -12.475 1.062 1.00 0.00 C ATOM 237 C GLN S 286 64.516 -10.987 1.282 1.00 0.00 C ATOM 238 O GLN S 286 64.884 -10.264 0.380 1.00 0.00 O ATOM 239 CB GLN S 286 63.177 -12.788 0.188 1.00 0.00 C ATOM 240 CG GLN S 286 63.036 -14.265 -0.133 1.00 0.00 C ATOM 241 CD GLN S 286 61.901 -14.545 -1.091 1.00 0.00 C ATOM 242 OE1 GLN S 286 60.678 -14.538 -0.573 1.00 0.00 O flip ATOM 243 NE2 GLN S 286 62.120 -14.762 -2.282 1.00 0.00 N flip ATOM 0 H GLN S 286 63.388 -13.189 2.753 1.00 0.00 H new ATOM 0 HA GLN S 286 65.271 -12.836 0.533 1.00 0.00 H new ATOM 0 HB2 GLN S 286 62.274 -12.445 0.694 1.00 0.00 H new ATOM 0 HB3 GLN S 286 63.254 -12.226 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN S 286 63.968 -14.630 -0.563 1.00 0.00 H new ATOM 0 HG3 GLN S 286 62.872 -14.820 0.791 1.00 0.00 H new ATOM 0 HE21 GLN S 286 63.077 -14.757 -2.634 1.00 0.00 H new ATOM 0 HE22 GLN S 286 61.344 -14.947 -2.918 1.00 0.00 H new ATOM 252 N ILE S 287 64.243 -10.543 2.502 1.00 0.00 N ATOM 253 CA ILE S 287 64.375 -9.144 2.843 1.00 0.00 C ATOM 254 C ILE S 287 65.767 -8.922 3.397 1.00 0.00 C ATOM 255 O ILE S 287 66.384 -7.873 3.213 1.00 0.00 O ATOM 256 CB ILE S 287 63.342 -8.723 3.893 1.00 0.00 C ATOM 257 CG1 ILE S 287 63.501 -9.559 5.152 1.00 0.00 C ATOM 258 CG2 ILE S 287 61.930 -8.822 3.339 1.00 0.00 C ATOM 259 CD1 ILE S 287 64.668 -9.124 6.008 1.00 0.00 C ATOM 0 H ILE S 287 63.929 -11.137 3.269 1.00 0.00 H new ATOM 0 HA ILE S 287 64.207 -8.545 1.948 1.00 0.00 H new ATOM 0 HB ILE S 287 63.518 -7.679 4.153 1.00 0.00 H new ATOM 0 HG12 ILE S 287 62.585 -9.499 5.739 1.00 0.00 H new ATOM 0 HG13 ILE S 287 63.632 -10.604 4.873 1.00 0.00 H new ATOM 0 HG21 ILE S 287 61.217 -8.518 4.105 1.00 0.00 H new ATOM 0 HG22 ILE S 287 61.833 -8.169 2.472 1.00 0.00 H new ATOM 0 HG23 ILE S 287 61.727 -9.851 3.042 1.00 0.00 H new ATOM 0 HD11 ILE S 287 64.728 -9.760 6.892 1.00 0.00 H new ATOM 0 HD12 ILE S 287 65.591 -9.211 5.435 1.00 0.00 H new ATOM 0 HD13 ILE S 287 64.527 -8.088 6.315 1.00 0.00 H new ATOM 271 N ALA S 288 66.252 -9.964 4.055 1.00 0.00 N ATOM 272 CA ALA S 288 67.574 -9.983 4.637 1.00 0.00 C ATOM 273 C ALA S 288 68.589 -10.215 3.532 1.00 0.00 C ATOM 274 O ALA S 288 69.583 -9.491 3.403 1.00 0.00 O ATOM 275 CB ALA S 288 67.643 -11.093 5.680 1.00 0.00 C ATOM 0 H ALA S 288 65.728 -10.827 4.198 1.00 0.00 H new ATOM 0 HA ALA S 288 67.794 -9.034 5.126 1.00 0.00 H new ATOM 0 HB1 ALA S 288 68.638 -11.114 6.124 1.00 0.00 H new ATOM 0 HB2 ALA S 288 66.902 -10.908 6.458 1.00 0.00 H new ATOM 0 HB3 ALA S 288 67.438 -12.052 5.205 1.00 0.00 H new ATOM 281 N TYR S 289 68.297 -11.217 2.711 1.00 0.00 N ATOM 282 CA TYR S 289 69.145 -11.552 1.581 1.00 0.00 C ATOM 283 C TYR S 289 69.060 -10.451 0.536 1.00 0.00 C ATOM 284 O TYR S 289 70.072 -10.036 -0.040 1.00 0.00 O ATOM 285 CB TYR S 289 68.705 -12.877 0.955 1.00 0.00 C ATOM 286 CG TYR S 289 68.935 -14.089 1.825 1.00 0.00 C ATOM 287 CD1 TYR S 289 69.666 -13.999 2.999 1.00 0.00 C ATOM 288 CD2 TYR S 289 68.406 -15.325 1.472 1.00 0.00 C ATOM 289 CE1 TYR S 289 69.868 -15.106 3.799 1.00 0.00 C ATOM 290 CE2 TYR S 289 68.604 -16.436 2.264 1.00 0.00 C ATOM 291 CZ TYR S 289 69.335 -16.323 3.427 1.00 0.00 C ATOM 292 OH TYR S 289 69.534 -17.430 4.222 1.00 0.00 O ATOM 0 H TYR S 289 67.475 -11.812 2.810 1.00 0.00 H new ATOM 0 HA TYR S 289 70.172 -11.650 1.933 1.00 0.00 H new ATOM 0 HB2 TYR S 289 67.644 -12.815 0.714 1.00 0.00 H new ATOM 0 HB3 TYR S 289 69.238 -13.014 0.014 1.00 0.00 H new ATOM 0 HD1 TYR S 289 70.084 -13.048 3.293 1.00 0.00 H new ATOM 0 HD2 TYR S 289 67.831 -15.417 0.563 1.00 0.00 H new ATOM 0 HE1 TYR S 289 70.440 -15.020 4.711 1.00 0.00 H new ATOM 0 HE2 TYR S 289 68.188 -17.390 1.975 1.00 0.00 H new ATOM 0 HH TYR S 289 69.092 -18.206 3.818 1.00 0.00 H new ATOM 302 N ALA S 290 67.838 -9.978 0.292 1.00 0.00 N ATOM 303 CA ALA S 290 67.622 -8.932 -0.685 1.00 0.00 C ATOM 304 C ALA S 290 68.454 -7.717 -0.382 1.00 0.00 C ATOM 305 O ALA S 290 69.147 -7.228 -1.246 1.00 0.00 O ATOM 306 CB ALA S 290 66.168 -8.522 -0.748 1.00 0.00 C ATOM 0 H ALA S 290 66.992 -10.306 0.759 1.00 0.00 H new ATOM 0 HA ALA S 290 67.921 -9.344 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA S 290 66.044 -7.735 -1.492 1.00 0.00 H new ATOM 0 HB2 ALA S 290 65.559 -9.383 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA S 290 65.852 -8.152 0.227 1.00 0.00 H new ATOM 312 N MET S 291 68.364 -7.215 0.840 1.00 0.00 N ATOM 313 CA MET S 291 69.117 -6.023 1.204 1.00 0.00 C ATOM 314 C MET S 291 70.622 -6.236 1.022 1.00 0.00 C ATOM 315 O MET S 291 71.304 -5.442 0.355 1.00 0.00 O ATOM 316 CB MET S 291 68.804 -5.609 2.641 1.00 0.00 C ATOM 317 CG MET S 291 67.834 -4.440 2.723 1.00 0.00 C ATOM 318 SD MET S 291 66.371 -4.813 3.709 1.00 0.00 S ATOM 319 CE MET S 291 65.074 -4.239 2.614 1.00 0.00 C ATOM 0 H MET S 291 67.788 -7.606 1.586 1.00 0.00 H new ATOM 0 HA MET S 291 68.811 -5.219 0.535 1.00 0.00 H new ATOM 0 HB2 MET S 291 68.384 -6.461 3.176 1.00 0.00 H new ATOM 0 HB3 MET S 291 69.732 -5.341 3.147 1.00 0.00 H new ATOM 0 HG2 MET S 291 68.346 -3.579 3.152 1.00 0.00 H new ATOM 0 HG3 MET S 291 67.526 -4.158 1.716 1.00 0.00 H new ATOM 0 HE1 MET S 291 64.251 -4.954 2.619 1.00 0.00 H new ATOM 0 HE2 MET S 291 64.714 -3.268 2.954 1.00 0.00 H new ATOM 0 HE3 MET S 291 65.467 -4.145 1.602 1.00 0.00 H new ATOM 329 N GLN S 292 71.134 -7.309 1.620 1.00 0.00 N ATOM 330 CA GLN S 292 72.557 -7.631 1.539 1.00 0.00 C ATOM 331 C GLN S 292 73.101 -7.504 0.113 1.00 0.00 C ATOM 332 O GLN S 292 74.210 -7.010 -0.089 1.00 0.00 O ATOM 333 CB GLN S 292 72.806 -9.048 2.061 1.00 0.00 C ATOM 334 CG GLN S 292 74.279 -9.410 2.160 1.00 0.00 C ATOM 335 CD GLN S 292 74.513 -10.708 2.908 1.00 0.00 C ATOM 336 OE1 GLN S 292 73.775 -11.045 3.835 1.00 0.00 O ATOM 337 NE2 GLN S 292 75.544 -11.444 2.510 1.00 0.00 N ATOM 0 H GLN S 292 70.584 -7.971 2.167 1.00 0.00 H new ATOM 0 HA GLN S 292 73.086 -6.908 2.160 1.00 0.00 H new ATOM 0 HB2 GLN S 292 72.349 -9.149 3.045 1.00 0.00 H new ATOM 0 HB3 GLN S 292 72.309 -9.761 1.404 1.00 0.00 H new ATOM 0 HG2 GLN S 292 74.697 -9.493 1.157 1.00 0.00 H new ATOM 0 HG3 GLN S 292 74.814 -8.604 2.662 1.00 0.00 H new ATOM 0 HE21 GLN S 292 76.129 -11.126 1.737 1.00 0.00 H new ATOM 0 HE22 GLN S 292 75.751 -12.327 2.977 1.00 0.00 H new ATOM 346 N MET S 293 72.332 -7.969 -0.867 1.00 0.00 N ATOM 347 CA MET S 293 72.769 -7.919 -2.268 1.00 0.00 C ATOM 348 C MET S 293 72.107 -6.776 -3.024 1.00 0.00 C ATOM 349 O MET S 293 72.459 -6.488 -4.168 1.00 0.00 O ATOM 350 CB MET S 293 72.459 -9.242 -2.963 1.00 0.00 C ATOM 351 CG MET S 293 71.617 -10.174 -2.119 1.00 0.00 C ATOM 352 SD MET S 293 71.748 -11.894 -2.641 1.00 0.00 S ATOM 353 CE MET S 293 70.792 -11.857 -4.155 1.00 0.00 C ATOM 0 H MET S 293 71.410 -8.382 -0.724 1.00 0.00 H new ATOM 0 HA MET S 293 73.845 -7.747 -2.270 1.00 0.00 H new ATOM 0 HB2 MET S 293 71.939 -9.040 -3.899 1.00 0.00 H new ATOM 0 HB3 MET S 293 73.395 -9.739 -3.219 1.00 0.00 H new ATOM 0 HG2 MET S 293 71.924 -10.091 -1.076 1.00 0.00 H new ATOM 0 HG3 MET S 293 70.574 -9.861 -2.170 1.00 0.00 H new ATOM 0 HE1 MET S 293 70.521 -12.874 -4.439 1.00 0.00 H new ATOM 0 HE2 MET S 293 69.887 -11.271 -3.999 1.00 0.00 H new ATOM 0 HE3 MET S 293 71.386 -11.404 -4.949 1.00 0.00 H new ATOM 363 N SER S 294 71.163 -6.118 -2.375 1.00 0.00 N ATOM 364 CA SER S 294 70.467 -4.993 -2.976 1.00 0.00 C ATOM 365 C SER S 294 71.435 -3.851 -3.084 1.00 0.00 C ATOM 366 O SER S 294 71.343 -3.007 -3.974 1.00 0.00 O ATOM 367 CB SER S 294 69.274 -4.561 -2.130 1.00 0.00 C ATOM 368 OG SER S 294 69.699 -4.077 -0.870 1.00 0.00 O ATOM 0 H SER S 294 70.859 -6.344 -1.428 1.00 0.00 H new ATOM 0 HA SER S 294 70.093 -5.288 -3.956 1.00 0.00 H new ATOM 0 HB2 SER S 294 68.714 -3.785 -2.652 1.00 0.00 H new ATOM 0 HB3 SER S 294 68.597 -5.404 -1.991 1.00 0.00 H new ATOM 0 HG SER S 294 70.559 -4.484 -0.636 1.00 0.00 H new ATOM 374 N LEU S 295 72.383 -3.853 -2.162 1.00 0.00 N ATOM 375 CA LEU S 295 73.410 -2.829 -2.141 1.00 0.00 C ATOM 376 C LEU S 295 74.573 -3.239 -3.035 1.00 0.00 C ATOM 377 O LEU S 295 75.729 -2.943 -2.733 1.00 0.00 O ATOM 378 CB LEU S 295 73.898 -2.591 -0.709 1.00 0.00 C ATOM 379 CG LEU S 295 72.973 -1.730 0.153 1.00 0.00 C ATOM 380 CD1 LEU S 295 73.417 -1.756 1.607 1.00 0.00 C ATOM 381 CD2 LEU S 295 72.938 -0.301 -0.370 1.00 0.00 C ATOM 0 H LEU S 295 72.462 -4.550 -1.421 1.00 0.00 H new ATOM 0 HA LEU S 295 72.986 -1.899 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU S 295 74.031 -3.557 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU S 295 74.879 -2.117 -0.749 1.00 0.00 H new ATOM 0 HG LEU S 295 71.966 -2.144 0.096 1.00 0.00 H new ATOM 0 HD11 LEU S 295 72.746 -1.138 2.203 1.00 0.00 H new ATOM 0 HD12 LEU S 295 73.391 -2.781 1.977 1.00 0.00 H new ATOM 0 HD13 LEU S 295 74.433 -1.368 1.684 1.00 0.00 H new ATOM 0 HD21 LEU S 295 72.275 0.299 0.254 1.00 0.00 H new ATOM 0 HD22 LEU S 295 73.943 0.121 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU S 295 72.571 -0.298 -1.396 1.00 0.00 H new ATOM 489 N ALA U 2 61.383 -5.860 -26.054 1.00 0.00 N ATOM 490 CA ALA U 2 61.783 -5.334 -24.754 1.00 0.00 C ATOM 491 C ALA U 2 63.270 -5.567 -24.502 1.00 0.00 C ATOM 492 O ALA U 2 63.935 -6.275 -25.257 1.00 0.00 O ATOM 493 CB ALA U 2 60.957 -5.973 -23.648 1.00 0.00 C ATOM 0 HA ALA U 2 61.602 -4.259 -24.755 1.00 0.00 H new ATOM 0 HB1 ALA U 2 61.267 -5.571 -22.684 1.00 0.00 H new ATOM 0 HB2 ALA U 2 59.901 -5.755 -23.810 1.00 0.00 H new ATOM 0 HB3 ALA U 2 61.110 -7.052 -23.657 1.00 0.00 H new ATOM 499 N VAL U 3 63.786 -4.971 -23.430 1.00 0.00 N ATOM 500 CA VAL U 3 65.191 -5.122 -23.075 1.00 0.00 C ATOM 501 C VAL U 3 65.385 -6.301 -22.128 1.00 0.00 C ATOM 502 O VAL U 3 64.438 -7.029 -21.828 1.00 0.00 O ATOM 503 CB VAL U 3 65.747 -3.845 -22.415 1.00 0.00 C ATOM 504 CG1 VAL U 3 65.328 -2.611 -23.197 1.00 0.00 C ATOM 505 CG2 VAL U 3 65.288 -3.749 -20.966 1.00 0.00 C ATOM 0 H VAL U 3 63.251 -4.380 -22.794 1.00 0.00 H new ATOM 0 HA VAL U 3 65.738 -5.304 -24.000 1.00 0.00 H new ATOM 0 HB VAL U 3 66.836 -3.899 -22.425 1.00 0.00 H new ATOM 0 HG11 VAL U 3 65.731 -1.720 -22.715 1.00 0.00 H new ATOM 0 HG12 VAL U 3 65.712 -2.677 -24.215 1.00 0.00 H new ATOM 0 HG13 VAL U 3 64.240 -2.549 -23.223 1.00 0.00 H new ATOM 0 HG21 VAL U 3 65.690 -2.841 -20.516 1.00 0.00 H new ATOM 0 HG22 VAL U 3 64.199 -3.720 -20.930 1.00 0.00 H new ATOM 0 HG23 VAL U 3 65.646 -4.617 -20.413 1.00 0.00 H new ATOM 515 N THR U 4 66.614 -6.486 -21.663 1.00 0.00 N ATOM 516 CA THR U 4 66.926 -7.581 -20.754 1.00 0.00 C ATOM 517 C THR U 4 67.274 -7.062 -19.346 1.00 0.00 C ATOM 518 O THR U 4 68.446 -6.819 -19.059 1.00 0.00 O ATOM 519 CB THR U 4 68.109 -8.384 -21.286 1.00 0.00 C ATOM 520 OG1 THR U 4 67.798 -8.967 -22.539 1.00 0.00 O ATOM 521 CG2 THR U 4 68.530 -9.493 -20.350 1.00 0.00 C ATOM 0 H THR U 4 67.409 -5.893 -21.900 1.00 0.00 H new ATOM 0 HA THR U 4 66.041 -8.213 -20.688 1.00 0.00 H new ATOM 0 HB THR U 4 68.930 -7.674 -21.382 1.00 0.00 H new ATOM 0 HG1 THR U 4 68.570 -9.476 -22.864 1.00 0.00 H new ATOM 0 HG21 THR U 4 69.375 -10.031 -20.780 1.00 0.00 H new ATOM 0 HG22 THR U 4 68.821 -9.068 -19.389 1.00 0.00 H new ATOM 0 HG23 THR U 4 67.698 -10.182 -20.205 1.00 0.00 H new ATOM 529 N ILE U 5 66.280 -6.900 -18.457 1.00 0.00 N ATOM 530 CA ILE U 5 66.559 -6.426 -17.109 1.00 0.00 C ATOM 531 C ILE U 5 67.611 -7.327 -16.445 1.00 0.00 C ATOM 532 O ILE U 5 67.864 -8.434 -16.910 1.00 0.00 O ATOM 533 CB ILE U 5 65.255 -6.374 -16.243 1.00 0.00 C ATOM 534 CG1 ILE U 5 65.054 -4.989 -15.650 1.00 0.00 C ATOM 535 CG2 ILE U 5 65.287 -7.401 -15.119 1.00 0.00 C ATOM 536 CD1 ILE U 5 64.031 -4.994 -14.542 1.00 0.00 C ATOM 0 H ILE U 5 65.296 -7.089 -18.650 1.00 0.00 H new ATOM 0 HA ILE U 5 66.951 -5.411 -17.177 1.00 0.00 H new ATOM 0 HB ILE U 5 64.423 -6.609 -16.907 1.00 0.00 H new ATOM 0 HG12 ILE U 5 66.004 -4.618 -15.265 1.00 0.00 H new ATOM 0 HG13 ILE U 5 64.737 -4.301 -16.434 1.00 0.00 H new ATOM 0 HG21 ILE U 5 64.366 -7.335 -14.540 1.00 0.00 H new ATOM 0 HG22 ILE U 5 65.379 -8.401 -15.543 1.00 0.00 H new ATOM 0 HG23 ILE U 5 66.139 -7.203 -14.469 1.00 0.00 H new ATOM 0 HD11 ILE U 5 63.918 -3.985 -14.146 1.00 0.00 H new ATOM 0 HD12 ILE U 5 63.074 -5.340 -14.932 1.00 0.00 H new ATOM 0 HD13 ILE U 5 64.361 -5.661 -13.746 1.00 0.00 H new ATOM 548 N THR U 6 68.194 -6.854 -15.346 1.00 0.00 N ATOM 549 CA THR U 6 69.191 -7.625 -14.597 1.00 0.00 C ATOM 550 C THR U 6 68.876 -7.530 -13.106 1.00 0.00 C ATOM 551 O THR U 6 68.692 -6.433 -12.588 1.00 0.00 O ATOM 552 CB THR U 6 70.604 -7.107 -14.889 1.00 0.00 C ATOM 553 OG1 THR U 6 70.914 -7.252 -16.264 1.00 0.00 O ATOM 554 CG2 THR U 6 71.691 -7.814 -14.099 1.00 0.00 C ATOM 0 H THR U 6 67.994 -5.935 -14.950 1.00 0.00 H new ATOM 0 HA THR U 6 69.151 -8.669 -14.907 1.00 0.00 H new ATOM 0 HB THR U 6 70.589 -6.059 -14.589 1.00 0.00 H new ATOM 0 HG1 THR U 6 71.813 -6.901 -16.436 1.00 0.00 H new ATOM 0 HG21 THR U 6 72.662 -7.393 -14.359 1.00 0.00 H new ATOM 0 HG22 THR U 6 71.511 -7.680 -13.032 1.00 0.00 H new ATOM 0 HG23 THR U 6 71.681 -8.878 -14.338 1.00 0.00 H new ATOM 562 N LEU U 7 68.770 -8.673 -12.425 1.00 0.00 N ATOM 563 CA LEU U 7 68.428 -8.673 -11.003 1.00 0.00 C ATOM 564 C LEU U 7 69.310 -9.607 -10.180 1.00 0.00 C ATOM 565 O LEU U 7 70.075 -10.411 -10.723 1.00 0.00 O ATOM 566 CB LEU U 7 66.966 -9.085 -10.818 1.00 0.00 C ATOM 567 CG LEU U 7 66.008 -8.519 -11.856 1.00 0.00 C ATOM 568 CD1 LEU U 7 66.256 -7.029 -12.036 1.00 0.00 C ATOM 569 CD2 LEU U 7 66.161 -9.266 -13.171 1.00 0.00 C ATOM 0 H LEU U 7 68.914 -9.598 -12.829 1.00 0.00 H new ATOM 0 HA LEU U 7 68.593 -7.657 -10.644 1.00 0.00 H new ATOM 0 HB2 LEU U 7 66.904 -10.173 -10.842 1.00 0.00 H new ATOM 0 HB3 LEU U 7 66.636 -8.768 -9.829 1.00 0.00 H new ATOM 0 HG LEU U 7 64.983 -8.652 -11.510 1.00 0.00 H new ATOM 0 HD11 LEU U 7 65.566 -6.633 -12.781 1.00 0.00 H new ATOM 0 HD12 LEU U 7 66.099 -6.517 -11.087 1.00 0.00 H new ATOM 0 HD13 LEU U 7 67.281 -6.868 -12.370 1.00 0.00 H new ATOM 0 HD21 LEU U 7 65.471 -8.853 -13.907 1.00 0.00 H new ATOM 0 HD22 LEU U 7 67.184 -9.160 -13.533 1.00 0.00 H new ATOM 0 HD23 LEU U 7 65.938 -10.322 -13.018 1.00 0.00 H new ATOM 581 N LYS U 8 69.161 -9.514 -8.856 1.00 0.00 N ATOM 582 CA LYS U 8 69.901 -10.360 -7.933 1.00 0.00 C ATOM 583 C LYS U 8 68.926 -11.077 -7.011 1.00 0.00 C ATOM 584 O LYS U 8 68.320 -10.467 -6.128 1.00 0.00 O ATOM 585 CB LYS U 8 70.903 -9.544 -7.110 1.00 0.00 C ATOM 586 CG LYS U 8 72.338 -9.695 -7.589 1.00 0.00 C ATOM 587 CD LYS U 8 73.326 -9.560 -6.444 1.00 0.00 C ATOM 588 CE LYS U 8 74.290 -10.733 -6.405 1.00 0.00 C ATOM 589 NZ LYS U 8 74.177 -11.503 -5.136 1.00 0.00 N ATOM 0 H LYS U 8 68.529 -8.855 -8.403 1.00 0.00 H new ATOM 0 HA LYS U 8 70.465 -11.092 -8.512 1.00 0.00 H new ATOM 0 HB2 LYS U 8 70.623 -8.491 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS U 8 70.841 -9.852 -6.066 1.00 0.00 H new ATOM 0 HG2 LYS U 8 72.463 -10.667 -8.065 1.00 0.00 H new ATOM 0 HG3 LYS U 8 72.551 -8.940 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS U 8 73.885 -8.631 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS U 8 72.785 -9.500 -5.500 1.00 0.00 H new ATOM 0 HE2 LYS U 8 74.092 -11.394 -7.249 1.00 0.00 H new ATOM 0 HE3 LYS U 8 75.311 -10.368 -6.518 1.00 0.00 H new ATOM 0 HZ1 LYS U 8 75.045 -11.380 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS U 8 73.362 -11.156 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS U 8 74.045 -12.512 -5.353 1.00 0.00 H new ATOM 603 N THR U 9 68.767 -12.370 -7.239 1.00 0.00 N ATOM 604 CA THR U 9 67.845 -13.177 -6.438 1.00 0.00 C ATOM 605 C THR U 9 68.458 -13.540 -5.076 1.00 0.00 C ATOM 606 O THR U 9 69.235 -14.477 -5.034 1.00 0.00 O ATOM 607 CB THR U 9 67.464 -14.487 -7.140 1.00 0.00 C ATOM 608 OG1 THR U 9 68.508 -14.994 -7.950 1.00 0.00 O ATOM 609 CG2 THR U 9 66.235 -14.356 -7.999 1.00 0.00 C ATOM 0 H THR U 9 69.259 -12.887 -7.968 1.00 0.00 H new ATOM 0 HA THR U 9 66.955 -12.563 -6.303 1.00 0.00 H new ATOM 0 HB THR U 9 67.262 -15.181 -6.324 1.00 0.00 H new ATOM 0 HG1 THR U 9 68.525 -14.510 -8.802 1.00 0.00 H new ATOM 0 HG21 THR U 9 66.016 -15.315 -8.469 1.00 0.00 H new ATOM 0 HG22 THR U 9 65.390 -14.053 -7.381 1.00 0.00 H new ATOM 0 HG23 THR U 9 66.408 -13.605 -8.770 1.00 0.00 H new ATOM 617 N LEU U 10 68.123 -12.797 -3.987 1.00 0.00 N ATOM 618 CA LEU U 10 68.647 -13.046 -2.631 1.00 0.00 C ATOM 619 C LEU U 10 69.510 -14.316 -2.500 1.00 0.00 C ATOM 620 O LEU U 10 70.587 -14.269 -1.907 1.00 0.00 O ATOM 621 CB LEU U 10 67.522 -13.074 -1.567 1.00 0.00 C ATOM 622 CG LEU U 10 66.048 -13.191 -2.025 1.00 0.00 C ATOM 623 CD1 LEU U 10 65.413 -11.815 -2.175 1.00 0.00 C ATOM 624 CD2 LEU U 10 65.888 -14.003 -3.304 1.00 0.00 C ATOM 0 H LEU U 10 67.479 -12.007 -4.033 1.00 0.00 H new ATOM 0 HA LEU U 10 69.305 -12.197 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU U 10 67.724 -13.911 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU U 10 67.609 -12.164 -0.974 1.00 0.00 H new ATOM 0 HG LEU U 10 65.523 -13.736 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU U 10 64.378 -11.925 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU U 10 65.441 -11.295 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU U 10 65.965 -11.239 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU U 10 64.833 -14.050 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU U 10 66.449 -13.528 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU U 10 66.267 -15.012 -3.144 1.00 0.00 H new ATOM 636 N GLN U 11 69.052 -15.437 -3.051 1.00 0.00 N ATOM 637 CA GLN U 11 69.797 -16.695 -2.987 1.00 0.00 C ATOM 638 C GLN U 11 71.233 -16.563 -3.537 1.00 0.00 C ATOM 639 O GLN U 11 71.994 -17.527 -3.462 1.00 0.00 O ATOM 640 CB GLN U 11 69.053 -17.765 -3.787 1.00 0.00 C ATOM 641 CG GLN U 11 69.043 -19.130 -3.120 1.00 0.00 C ATOM 642 CD GLN U 11 70.417 -19.767 -3.064 1.00 0.00 C ATOM 643 OE1 GLN U 11 71.261 -19.381 -2.255 1.00 0.00 O ATOM 644 NE2 GLN U 11 70.648 -20.751 -3.926 1.00 0.00 N ATOM 0 H GLN U 11 68.164 -15.501 -3.549 1.00 0.00 H new ATOM 0 HA GLN U 11 69.871 -16.974 -1.936 1.00 0.00 H new ATOM 0 HB2 GLN U 11 68.025 -17.439 -3.944 1.00 0.00 H new ATOM 0 HB3 GLN U 11 69.512 -17.855 -4.771 1.00 0.00 H new ATOM 0 HG2 GLN U 11 68.652 -19.032 -2.107 1.00 0.00 H new ATOM 0 HG3 GLN U 11 68.364 -19.789 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN U 11 69.919 -21.039 -4.579 1.00 0.00 H new ATOM 0 HE22 GLN U 11 71.554 -21.219 -3.935 1.00 0.00 H new ATOM 653 N GLN U 12 71.603 -15.390 -4.104 1.00 0.00 N ATOM 654 CA GLN U 12 72.936 -15.181 -4.664 1.00 0.00 C ATOM 655 C GLN U 12 72.946 -15.426 -6.181 1.00 0.00 C ATOM 656 O GLN U 12 73.975 -15.225 -6.825 1.00 0.00 O ATOM 657 CB GLN U 12 73.964 -16.096 -3.990 1.00 0.00 C ATOM 658 CG GLN U 12 75.401 -15.640 -4.179 1.00 0.00 C ATOM 659 CD GLN U 12 76.363 -16.339 -3.239 1.00 0.00 C ATOM 660 OE1 GLN U 12 77.177 -17.159 -3.663 1.00 0.00 O ATOM 661 NE2 GLN U 12 76.271 -16.020 -1.954 1.00 0.00 N ATOM 0 H GLN U 12 70.987 -14.580 -4.180 1.00 0.00 H new ATOM 0 HA GLN U 12 73.207 -14.142 -4.475 1.00 0.00 H new ATOM 0 HB2 GLN U 12 73.746 -16.150 -2.923 1.00 0.00 H new ATOM 0 HB3 GLN U 12 73.856 -17.105 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN U 12 75.705 -15.827 -5.209 1.00 0.00 H new ATOM 0 HG3 GLN U 12 75.461 -14.563 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN U 12 75.581 -15.334 -1.647 1.00 0.00 H new ATOM 0 HE22 GLN U 12 76.890 -16.460 -1.274 1.00 0.00 H new ATOM 670 N GLN U 13 71.812 -15.869 -6.765 1.00 0.00 N ATOM 671 CA GLN U 13 71.771 -16.124 -8.199 1.00 0.00 C ATOM 672 C GLN U 13 71.647 -14.826 -8.989 1.00 0.00 C ATOM 673 O GLN U 13 70.573 -14.222 -9.050 1.00 0.00 O ATOM 674 CB GLN U 13 70.607 -17.053 -8.545 1.00 0.00 C ATOM 675 CG GLN U 13 70.993 -18.522 -8.593 1.00 0.00 C ATOM 676 CD GLN U 13 70.894 -19.104 -9.989 1.00 0.00 C ATOM 677 OE1 GLN U 13 69.812 -19.172 -10.571 1.00 0.00 O ATOM 678 NE2 GLN U 13 72.028 -19.529 -10.535 1.00 0.00 N ATOM 0 H GLN U 13 70.939 -16.050 -6.270 1.00 0.00 H new ATOM 0 HA GLN U 13 72.709 -16.606 -8.475 1.00 0.00 H new ATOM 0 HB2 GLN U 13 69.815 -16.918 -7.809 1.00 0.00 H new ATOM 0 HB3 GLN U 13 70.196 -16.762 -9.512 1.00 0.00 H new ATOM 0 HG2 GLN U 13 72.013 -18.638 -8.226 1.00 0.00 H new ATOM 0 HG3 GLN U 13 70.346 -19.086 -7.921 1.00 0.00 H new ATOM 0 HE21 GLN U 13 72.903 -19.454 -10.017 1.00 0.00 H new ATOM 0 HE22 GLN U 13 72.023 -19.931 -11.473 1.00 0.00 H new ATOM 687 N THR U 14 72.748 -14.412 -9.607 1.00 0.00 N ATOM 688 CA THR U 14 72.760 -13.201 -10.416 1.00 0.00 C ATOM 689 C THR U 14 72.303 -13.530 -11.829 1.00 0.00 C ATOM 690 O THR U 14 72.958 -14.294 -12.537 1.00 0.00 O ATOM 691 CB THR U 14 74.160 -12.587 -10.443 1.00 0.00 C ATOM 692 OG1 THR U 14 74.931 -13.044 -9.346 1.00 0.00 O ATOM 693 CG2 THR U 14 74.153 -11.075 -10.402 1.00 0.00 C ATOM 0 H THR U 14 73.644 -14.898 -9.562 1.00 0.00 H new ATOM 0 HA THR U 14 72.077 -12.474 -9.976 1.00 0.00 H new ATOM 0 HB THR U 14 74.595 -12.906 -11.390 1.00 0.00 H new ATOM 0 HG1 THR U 14 75.823 -12.641 -9.383 1.00 0.00 H new ATOM 0 HG21 THR U 14 75.178 -10.706 -10.424 1.00 0.00 H new ATOM 0 HG22 THR U 14 73.610 -10.690 -11.265 1.00 0.00 H new ATOM 0 HG23 THR U 14 73.666 -10.738 -9.487 1.00 0.00 H new ATOM 701 N PHE U 15 71.171 -12.967 -12.234 1.00 0.00 N ATOM 702 CA PHE U 15 70.635 -13.232 -13.564 1.00 0.00 C ATOM 703 C PHE U 15 69.973 -11.990 -14.145 1.00 0.00 C ATOM 704 O PHE U 15 70.239 -10.873 -13.705 1.00 0.00 O ATOM 705 CB PHE U 15 69.641 -14.399 -13.502 1.00 0.00 C ATOM 706 CG PHE U 15 68.437 -14.129 -12.643 1.00 0.00 C ATOM 707 CD1 PHE U 15 68.581 -13.756 -11.316 1.00 0.00 C ATOM 708 CD2 PHE U 15 67.159 -14.252 -13.164 1.00 0.00 C ATOM 709 CE1 PHE U 15 67.474 -13.509 -10.526 1.00 0.00 C ATOM 710 CE2 PHE U 15 66.048 -14.008 -12.380 1.00 0.00 C ATOM 711 CZ PHE U 15 66.205 -13.635 -11.060 1.00 0.00 C ATOM 0 H PHE U 15 70.611 -12.330 -11.667 1.00 0.00 H new ATOM 0 HA PHE U 15 71.460 -13.505 -14.222 1.00 0.00 H new ATOM 0 HB2 PHE U 15 69.308 -14.634 -14.513 1.00 0.00 H new ATOM 0 HB3 PHE U 15 70.155 -15.282 -13.122 1.00 0.00 H new ATOM 0 HD1 PHE U 15 69.570 -13.657 -10.894 1.00 0.00 H new ATOM 0 HD2 PHE U 15 67.030 -14.542 -14.196 1.00 0.00 H new ATOM 0 HE1 PHE U 15 67.600 -13.218 -9.494 1.00 0.00 H new ATOM 0 HE2 PHE U 15 65.058 -14.109 -12.799 1.00 0.00 H new ATOM 0 HZ PHE U 15 65.338 -13.442 -10.446 1.00 0.00 H new ATOM 721 N LYS U 16 69.117 -12.188 -15.143 1.00 0.00 N ATOM 722 CA LYS U 16 68.426 -11.077 -15.782 1.00 0.00 C ATOM 723 C LYS U 16 67.051 -11.519 -16.293 1.00 0.00 C ATOM 724 O LYS U 16 66.845 -12.705 -16.551 1.00 0.00 O ATOM 725 CB LYS U 16 69.268 -10.540 -16.943 1.00 0.00 C ATOM 726 CG LYS U 16 70.360 -11.496 -17.398 1.00 0.00 C ATOM 727 CD LYS U 16 71.378 -10.797 -18.285 1.00 0.00 C ATOM 728 CE LYS U 16 71.526 -11.501 -19.623 1.00 0.00 C ATOM 729 NZ LYS U 16 72.413 -10.748 -20.553 1.00 0.00 N ATOM 0 H LYS U 16 68.887 -13.105 -15.525 1.00 0.00 H new ATOM 0 HA LYS U 16 68.283 -10.286 -15.046 1.00 0.00 H new ATOM 0 HB2 LYS U 16 68.612 -10.323 -17.786 1.00 0.00 H new ATOM 0 HB3 LYS U 16 69.725 -9.597 -16.644 1.00 0.00 H new ATOM 0 HG2 LYS U 16 70.863 -11.917 -16.527 1.00 0.00 H new ATOM 0 HG3 LYS U 16 69.913 -12.329 -17.941 1.00 0.00 H new ATOM 0 HD2 LYS U 16 71.072 -9.764 -18.448 1.00 0.00 H new ATOM 0 HD3 LYS U 16 72.343 -10.767 -17.779 1.00 0.00 H new ATOM 0 HE2 LYS U 16 71.931 -12.500 -19.464 1.00 0.00 H new ATOM 0 HE3 LYS U 16 70.544 -11.624 -20.079 1.00 0.00 H new ATOM 0 HZ1 LYS U 16 72.488 -11.262 -21.454 1.00 0.00 H new ATOM 0 HZ2 LYS U 16 72.013 -9.803 -20.725 1.00 0.00 H new ATOM 0 HZ3 LYS U 16 73.358 -10.652 -20.130 1.00 0.00 H new ATOM 743 N ILE U 17 66.104 -10.582 -16.447 1.00 0.00 N ATOM 744 CA ILE U 17 64.782 -10.944 -16.934 1.00 0.00 C ATOM 745 C ILE U 17 64.491 -10.246 -18.261 1.00 0.00 C ATOM 746 O ILE U 17 65.216 -9.334 -18.656 1.00 0.00 O ATOM 747 CB ILE U 17 63.698 -10.606 -15.897 1.00 0.00 C ATOM 748 CG1 ILE U 17 63.971 -11.380 -14.602 1.00 0.00 C ATOM 749 CG2 ILE U 17 62.315 -10.941 -16.438 1.00 0.00 C ATOM 750 CD1 ILE U 17 63.423 -12.793 -14.614 1.00 0.00 C ATOM 0 H ILE U 17 66.232 -9.591 -16.244 1.00 0.00 H new ATOM 0 HA ILE U 17 64.766 -12.022 -17.097 1.00 0.00 H new ATOM 0 HB ILE U 17 63.727 -9.537 -15.688 1.00 0.00 H new ATOM 0 HG12 ILE U 17 65.047 -11.418 -14.431 1.00 0.00 H new ATOM 0 HG13 ILE U 17 63.534 -10.837 -13.764 1.00 0.00 H new ATOM 0 HG21 ILE U 17 61.562 -10.695 -15.689 1.00 0.00 H new ATOM 0 HG22 ILE U 17 62.129 -10.364 -17.344 1.00 0.00 H new ATOM 0 HG23 ILE U 17 62.263 -12.005 -16.669 1.00 0.00 H new ATOM 0 HD11 ILE U 17 63.653 -13.281 -13.667 1.00 0.00 H new ATOM 0 HD12 ILE U 17 62.342 -12.763 -14.754 1.00 0.00 H new ATOM 0 HD13 ILE U 17 63.879 -13.353 -15.430 1.00 0.00 H new ATOM 762 N ARG U 18 63.456 -10.692 -18.970 1.00 0.00 N ATOM 763 CA ARG U 18 63.134 -10.109 -20.265 1.00 0.00 C ATOM 764 C ARG U 18 61.850 -9.283 -20.244 1.00 0.00 C ATOM 765 O ARG U 18 60.884 -9.620 -20.930 1.00 0.00 O ATOM 766 CB ARG U 18 63.016 -11.212 -21.317 1.00 0.00 C ATOM 767 CG ARG U 18 63.045 -10.697 -22.746 1.00 0.00 C ATOM 768 CD ARG U 18 61.881 -11.241 -23.559 1.00 0.00 C ATOM 769 NE ARG U 18 62.296 -12.308 -24.464 1.00 0.00 N ATOM 770 CZ ARG U 18 61.445 -13.078 -25.134 1.00 0.00 C ATOM 771 NH1 ARG U 18 60.138 -12.898 -25.000 1.00 0.00 N ATOM 772 NH2 ARG U 18 61.900 -14.029 -25.939 1.00 0.00 N ATOM 0 H ARG U 18 62.835 -11.445 -18.673 1.00 0.00 H new ATOM 0 HA ARG U 18 63.949 -9.430 -20.516 1.00 0.00 H new ATOM 0 HB2 ARG U 18 63.831 -11.922 -21.179 1.00 0.00 H new ATOM 0 HB3 ARG U 18 62.087 -11.758 -21.156 1.00 0.00 H new ATOM 0 HG2 ARG U 18 63.009 -9.608 -22.742 1.00 0.00 H new ATOM 0 HG3 ARG U 18 63.985 -10.983 -23.218 1.00 0.00 H new ATOM 0 HD2 ARG U 18 61.112 -11.617 -22.884 1.00 0.00 H new ATOM 0 HD3 ARG U 18 61.432 -10.432 -24.135 1.00 0.00 H new ATOM 0 HE ARG U 18 63.295 -12.472 -24.589 1.00 0.00 H new ATOM 0 HH11 ARG U 18 59.784 -12.168 -24.382 1.00 0.00 H new ATOM 0 HH12 ARG U 18 59.486 -13.490 -25.515 1.00 0.00 H new ATOM 0 HH21 ARG U 18 62.905 -14.170 -26.045 1.00 0.00 H new ATOM 0 HH22 ARG U 18 61.245 -14.619 -26.452 1.00 0.00 H new ATOM 786 N MET U 19 61.850 -8.179 -19.501 1.00 0.00 N ATOM 787 CA MET U 19 60.682 -7.308 -19.469 1.00 0.00 C ATOM 788 C MET U 19 61.033 -5.940 -20.044 1.00 0.00 C ATOM 789 O MET U 19 62.204 -5.635 -20.269 1.00 0.00 O ATOM 790 CB MET U 19 60.096 -7.141 -18.061 1.00 0.00 C ATOM 791 CG MET U 19 61.031 -7.453 -16.904 1.00 0.00 C ATOM 792 SD MET U 19 62.043 -6.047 -16.481 1.00 0.00 S ATOM 793 CE MET U 19 60.844 -5.140 -15.538 1.00 0.00 C ATOM 0 H MET U 19 62.632 -7.871 -18.923 1.00 0.00 H new ATOM 0 HA MET U 19 59.917 -7.789 -20.079 1.00 0.00 H new ATOM 0 HB2 MET U 19 59.749 -6.113 -17.954 1.00 0.00 H new ATOM 0 HB3 MET U 19 59.220 -7.783 -17.976 1.00 0.00 H new ATOM 0 HG2 MET U 19 60.447 -7.756 -16.035 1.00 0.00 H new ATOM 0 HG3 MET U 19 61.670 -8.296 -17.169 1.00 0.00 H new ATOM 0 HE1 MET U 19 60.676 -4.168 -16.002 1.00 0.00 H new ATOM 0 HE2 MET U 19 59.907 -5.696 -15.511 1.00 0.00 H new ATOM 0 HE3 MET U 19 61.212 -4.999 -14.522 1.00 0.00 H new ATOM 803 N GLU U 20 60.016 -5.118 -20.286 1.00 0.00 N ATOM 804 CA GLU U 20 60.229 -3.788 -20.842 1.00 0.00 C ATOM 805 C GLU U 20 60.562 -2.784 -19.744 1.00 0.00 C ATOM 806 O GLU U 20 59.943 -2.780 -18.680 1.00 0.00 O ATOM 807 CB GLU U 20 58.987 -3.329 -21.609 1.00 0.00 C ATOM 808 CG GLU U 20 59.130 -3.429 -23.119 1.00 0.00 C ATOM 809 CD GLU U 20 58.536 -2.234 -23.840 1.00 0.00 C ATOM 810 OE1 GLU U 20 57.345 -1.936 -23.611 1.00 0.00 O ATOM 811 OE2 GLU U 20 59.262 -1.597 -24.631 1.00 0.00 O ATOM 0 H GLU U 20 59.039 -5.350 -20.106 1.00 0.00 H new ATOM 0 HA GLU U 20 61.074 -3.840 -21.528 1.00 0.00 H new ATOM 0 HB2 GLU U 20 58.133 -3.929 -21.293 1.00 0.00 H new ATOM 0 HB3 GLU U 20 58.767 -2.296 -21.341 1.00 0.00 H new ATOM 0 HG2 GLU U 20 60.186 -3.516 -23.376 1.00 0.00 H new ATOM 0 HG3 GLU U 20 58.641 -4.339 -23.467 1.00 0.00 H new ATOM 818 N PRO U 21 61.550 -1.914 -19.991 1.00 0.00 N ATOM 819 CA PRO U 21 61.964 -0.898 -19.021 1.00 0.00 C ATOM 820 C PRO U 21 60.817 0.031 -18.642 1.00 0.00 C ATOM 821 O PRO U 21 60.812 0.620 -17.563 1.00 0.00 O ATOM 822 CB PRO U 21 63.061 -0.119 -19.757 1.00 0.00 C ATOM 823 CG PRO U 21 63.534 -1.037 -20.831 1.00 0.00 C ATOM 824 CD PRO U 21 62.337 -1.851 -21.232 1.00 0.00 C ATOM 0 HA PRO U 21 62.300 -1.342 -18.084 1.00 0.00 H new ATOM 0 HB2 PRO U 21 62.672 0.810 -20.175 1.00 0.00 H new ATOM 0 HB3 PRO U 21 63.874 0.150 -19.082 1.00 0.00 H new ATOM 0 HG2 PRO U 21 63.927 -0.476 -21.679 1.00 0.00 H new ATOM 0 HG3 PRO U 21 64.339 -1.677 -20.471 1.00 0.00 H new ATOM 0 HD2 PRO U 21 61.779 -1.378 -22.040 1.00 0.00 H new ATOM 0 HD3 PRO U 21 62.622 -2.844 -21.580 1.00 0.00 H new ATOM 832 N ASP U 22 59.846 0.156 -19.541 1.00 0.00 N ATOM 833 CA ASP U 22 58.693 1.016 -19.308 1.00 0.00 C ATOM 834 C ASP U 22 57.659 0.336 -18.417 1.00 0.00 C ATOM 835 O ASP U 22 56.915 1.007 -17.700 1.00 0.00 O ATOM 836 CB ASP U 22 58.051 1.412 -20.639 1.00 0.00 C ATOM 837 CG ASP U 22 58.939 2.324 -21.462 1.00 0.00 C ATOM 838 OD1 ASP U 22 59.249 3.437 -20.987 1.00 0.00 O ATOM 839 OD2 ASP U 22 59.324 1.926 -22.581 1.00 0.00 O ATOM 0 H ASP U 22 59.835 -0.328 -20.439 1.00 0.00 H new ATOM 0 HA ASP U 22 59.046 1.911 -18.795 1.00 0.00 H new ATOM 0 HB2 ASP U 22 57.828 0.513 -21.213 1.00 0.00 H new ATOM 0 HB3 ASP U 22 57.101 1.911 -20.447 1.00 0.00 H new ATOM 844 N GLU U 23 57.607 -0.993 -18.459 1.00 0.00 N ATOM 845 CA GLU U 23 56.650 -1.730 -17.644 1.00 0.00 C ATOM 846 C GLU U 23 56.715 -1.242 -16.193 1.00 0.00 C ATOM 847 O GLU U 23 57.545 -0.397 -15.857 1.00 0.00 O ATOM 848 CB GLU U 23 56.893 -3.249 -17.761 1.00 0.00 C ATOM 849 CG GLU U 23 57.143 -3.714 -19.187 1.00 0.00 C ATOM 850 CD GLU U 23 56.376 -2.896 -20.211 1.00 0.00 C ATOM 851 OE1 GLU U 23 56.877 -1.827 -20.617 1.00 0.00 O ATOM 852 OE2 GLU U 23 55.273 -3.328 -20.607 1.00 0.00 O ATOM 0 H GLU U 23 58.209 -1.574 -19.042 1.00 0.00 H new ATOM 0 HA GLU U 23 55.641 -1.541 -18.011 1.00 0.00 H new ATOM 0 HB2 GLU U 23 57.749 -3.521 -17.143 1.00 0.00 H new ATOM 0 HB3 GLU U 23 56.029 -3.779 -17.360 1.00 0.00 H new ATOM 0 HG2 GLU U 23 58.210 -3.653 -19.404 1.00 0.00 H new ATOM 0 HG3 GLU U 23 56.859 -4.762 -19.278 1.00 0.00 H new ATOM 859 N THR U 24 55.822 -1.744 -15.345 1.00 0.00 N ATOM 860 CA THR U 24 55.767 -1.324 -13.950 1.00 0.00 C ATOM 861 C THR U 24 56.439 -2.337 -13.034 1.00 0.00 C ATOM 862 O THR U 24 56.010 -2.530 -11.896 1.00 0.00 O ATOM 863 CB THR U 24 54.312 -1.131 -13.525 1.00 0.00 C ATOM 864 OG1 THR U 24 53.434 -1.785 -14.424 1.00 0.00 O ATOM 865 CG2 THR U 24 53.905 0.324 -13.460 1.00 0.00 C ATOM 0 H THR U 24 55.125 -2.444 -15.601 1.00 0.00 H new ATOM 0 HA THR U 24 56.306 -0.381 -13.862 1.00 0.00 H new ATOM 0 HB THR U 24 54.239 -1.561 -12.526 1.00 0.00 H new ATOM 0 HG1 THR U 24 52.508 -1.651 -14.133 1.00 0.00 H new ATOM 0 HG21 THR U 24 52.862 0.397 -13.153 1.00 0.00 H new ATOM 0 HG22 THR U 24 54.533 0.846 -12.738 1.00 0.00 H new ATOM 0 HG23 THR U 24 54.026 0.780 -14.443 1.00 0.00 H new ATOM 873 N VAL U 25 57.485 -2.985 -13.521 1.00 0.00 N ATOM 874 CA VAL U 25 58.208 -3.975 -12.751 1.00 0.00 C ATOM 875 C VAL U 25 57.305 -5.140 -12.277 1.00 0.00 C ATOM 876 O VAL U 25 57.811 -6.118 -11.732 1.00 0.00 O ATOM 877 CB VAL U 25 59.022 -3.349 -11.565 1.00 0.00 C ATOM 878 CG1 VAL U 25 58.777 -1.857 -11.392 1.00 0.00 C ATOM 879 CG2 VAL U 25 58.771 -4.058 -10.261 1.00 0.00 C ATOM 0 H VAL U 25 57.854 -2.837 -14.460 1.00 0.00 H new ATOM 0 HA VAL U 25 58.938 -4.403 -13.438 1.00 0.00 H new ATOM 0 HB VAL U 25 60.067 -3.485 -11.842 1.00 0.00 H new ATOM 0 HG11 VAL U 25 59.369 -1.486 -10.556 1.00 0.00 H new ATOM 0 HG12 VAL U 25 59.067 -1.333 -12.303 1.00 0.00 H new ATOM 0 HG13 VAL U 25 57.720 -1.683 -11.194 1.00 0.00 H new ATOM 0 HG21 VAL U 25 59.357 -3.587 -9.472 1.00 0.00 H new ATOM 0 HG22 VAL U 25 57.712 -3.997 -10.012 1.00 0.00 H new ATOM 0 HG23 VAL U 25 59.062 -5.104 -10.354 1.00 0.00 H new ATOM 889 N LYS U 26 55.981 -5.052 -12.500 1.00 0.00 N ATOM 890 CA LYS U 26 55.066 -6.120 -12.103 1.00 0.00 C ATOM 891 C LYS U 26 55.152 -7.288 -13.084 1.00 0.00 C ATOM 892 O LYS U 26 55.236 -8.450 -12.681 1.00 0.00 O ATOM 893 CB LYS U 26 53.628 -5.594 -12.040 1.00 0.00 C ATOM 894 CG LYS U 26 52.571 -6.675 -12.200 1.00 0.00 C ATOM 895 CD LYS U 26 51.280 -6.300 -11.491 1.00 0.00 C ATOM 896 CE LYS U 26 51.412 -6.440 -9.983 1.00 0.00 C ATOM 897 NZ LYS U 26 51.884 -7.796 -9.591 1.00 0.00 N ATOM 0 H LYS U 26 55.530 -4.255 -12.950 1.00 0.00 H new ATOM 0 HA LYS U 26 55.356 -6.471 -11.113 1.00 0.00 H new ATOM 0 HB2 LYS U 26 53.477 -5.090 -11.085 1.00 0.00 H new ATOM 0 HB3 LYS U 26 53.490 -4.846 -12.821 1.00 0.00 H new ATOM 0 HG2 LYS U 26 52.372 -6.837 -13.259 1.00 0.00 H new ATOM 0 HG3 LYS U 26 52.948 -7.616 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS U 26 51.012 -5.273 -11.740 1.00 0.00 H new ATOM 0 HD3 LYS U 26 50.470 -6.936 -11.847 1.00 0.00 H new ATOM 0 HE2 LYS U 26 52.109 -5.691 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS U 26 50.448 -6.241 -9.514 1.00 0.00 H new ATOM 0 HZ1 LYS U 26 51.600 -7.992 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS U 26 51.462 -8.507 -10.222 1.00 0.00 H new ATOM 0 HZ3 LYS U 26 52.920 -7.838 -9.667 1.00 0.00 H new ATOM 911 N VAL U 27 55.162 -6.969 -14.377 1.00 0.00 N ATOM 912 CA VAL U 27 55.271 -7.986 -15.412 1.00 0.00 C ATOM 913 C VAL U 27 56.509 -8.818 -15.125 1.00 0.00 C ATOM 914 O VAL U 27 56.541 -10.044 -15.315 1.00 0.00 O ATOM 915 CB VAL U 27 55.376 -7.344 -16.821 1.00 0.00 C ATOM 916 CG1 VAL U 27 56.110 -6.015 -16.760 1.00 0.00 C ATOM 917 CG2 VAL U 27 56.054 -8.285 -17.809 1.00 0.00 C ATOM 0 H VAL U 27 55.096 -6.014 -14.729 1.00 0.00 H new ATOM 0 HA VAL U 27 54.378 -8.611 -15.404 1.00 0.00 H new ATOM 0 HB VAL U 27 54.361 -7.159 -17.174 1.00 0.00 H new ATOM 0 HG11 VAL U 27 56.170 -5.586 -17.760 1.00 0.00 H new ATOM 0 HG12 VAL U 27 55.571 -5.332 -16.104 1.00 0.00 H new ATOM 0 HG13 VAL U 27 57.116 -6.173 -16.372 1.00 0.00 H new ATOM 0 HG21 VAL U 27 56.112 -7.806 -18.786 1.00 0.00 H new ATOM 0 HG22 VAL U 27 57.060 -8.518 -17.458 1.00 0.00 H new ATOM 0 HG23 VAL U 27 55.476 -9.206 -17.890 1.00 0.00 H new ATOM 927 N LEU U 28 57.520 -8.130 -14.620 1.00 0.00 N ATOM 928 CA LEU U 28 58.755 -8.762 -14.257 1.00 0.00 C ATOM 929 C LEU U 28 58.509 -9.759 -13.157 1.00 0.00 C ATOM 930 O LEU U 28 59.044 -10.854 -13.163 1.00 0.00 O ATOM 931 CB LEU U 28 59.742 -7.735 -13.751 1.00 0.00 C ATOM 932 CG LEU U 28 61.081 -8.319 -13.382 1.00 0.00 C ATOM 933 CD1 LEU U 28 61.748 -8.878 -14.599 1.00 0.00 C ATOM 934 CD2 LEU U 28 61.975 -7.297 -12.740 1.00 0.00 C ATOM 0 H LEU U 28 57.498 -7.124 -14.455 1.00 0.00 H new ATOM 0 HA LEU U 28 59.159 -9.259 -15.139 1.00 0.00 H new ATOM 0 HB2 LEU U 28 59.886 -6.973 -14.517 1.00 0.00 H new ATOM 0 HB3 LEU U 28 59.320 -7.236 -12.879 1.00 0.00 H new ATOM 0 HG LEU U 28 60.906 -9.115 -12.659 1.00 0.00 H new ATOM 0 HD11 LEU U 28 62.715 -9.298 -14.323 1.00 0.00 H new ATOM 0 HD12 LEU U 28 61.122 -9.660 -15.030 1.00 0.00 H new ATOM 0 HD13 LEU U 28 61.893 -8.084 -15.332 1.00 0.00 H new ATOM 0 HD21 LEU U 28 62.931 -7.756 -12.488 1.00 0.00 H new ATOM 0 HD22 LEU U 28 62.140 -6.472 -13.433 1.00 0.00 H new ATOM 0 HD23 LEU U 28 61.504 -6.920 -11.832 1.00 0.00 H new ATOM 946 N LYS U 29 57.695 -9.353 -12.204 1.00 0.00 N ATOM 947 CA LYS U 29 57.376 -10.203 -11.079 1.00 0.00 C ATOM 948 C LYS U 29 56.744 -11.486 -11.575 1.00 0.00 C ATOM 949 O LYS U 29 56.912 -12.548 -10.983 1.00 0.00 O ATOM 950 CB LYS U 29 56.460 -9.461 -10.117 1.00 0.00 C ATOM 951 CG LYS U 29 57.035 -8.120 -9.705 1.00 0.00 C ATOM 952 CD LYS U 29 58.553 -8.199 -9.570 1.00 0.00 C ATOM 953 CE LYS U 29 59.115 -7.051 -8.753 1.00 0.00 C ATOM 954 NZ LYS U 29 58.087 -6.025 -8.464 1.00 0.00 N ATOM 0 H LYS U 29 57.243 -8.439 -12.188 1.00 0.00 H new ATOM 0 HA LYS U 29 58.287 -10.463 -10.539 1.00 0.00 H new ATOM 0 HB2 LYS U 29 55.488 -9.310 -10.586 1.00 0.00 H new ATOM 0 HB3 LYS U 29 56.294 -10.072 -9.230 1.00 0.00 H new ATOM 0 HG2 LYS U 29 56.770 -7.363 -10.444 1.00 0.00 H new ATOM 0 HG3 LYS U 29 56.597 -7.807 -8.757 1.00 0.00 H new ATOM 0 HD2 LYS U 29 58.826 -9.144 -9.101 1.00 0.00 H new ATOM 0 HD3 LYS U 29 59.005 -8.193 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS U 29 59.518 -7.435 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS U 29 59.944 -6.593 -9.293 1.00 0.00 H new ATOM 0 HZ1 LYS U 29 58.552 -5.133 -8.200 1.00 0.00 H new ATOM 0 HZ2 LYS U 29 57.501 -5.873 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS U 29 57.486 -6.348 -7.679 1.00 0.00 H new ATOM 968 N GLU U 30 56.040 -11.379 -12.690 1.00 0.00 N ATOM 969 CA GLU U 30 55.415 -12.532 -13.300 1.00 0.00 C ATOM 970 C GLU U 30 56.493 -13.507 -13.775 1.00 0.00 C ATOM 971 O GLU U 30 56.398 -14.720 -13.551 1.00 0.00 O ATOM 972 CB GLU U 30 54.547 -12.099 -14.483 1.00 0.00 C ATOM 973 CG GLU U 30 53.461 -11.104 -14.108 1.00 0.00 C ATOM 974 CD GLU U 30 52.542 -10.779 -15.269 1.00 0.00 C ATOM 975 OE1 GLU U 30 53.031 -10.232 -16.279 1.00 0.00 O ATOM 976 OE2 GLU U 30 51.332 -11.074 -15.169 1.00 0.00 O ATOM 0 H GLU U 30 55.889 -10.502 -13.189 1.00 0.00 H new ATOM 0 HA GLU U 30 54.781 -13.025 -12.563 1.00 0.00 H new ATOM 0 HB2 GLU U 30 55.185 -11.657 -15.248 1.00 0.00 H new ATOM 0 HB3 GLU U 30 54.083 -12.981 -14.925 1.00 0.00 H new ATOM 0 HG2 GLU U 30 52.872 -11.508 -13.285 1.00 0.00 H new ATOM 0 HG3 GLU U 30 53.924 -10.185 -13.748 1.00 0.00 H new ATOM 983 N LYS U 31 57.527 -12.972 -14.432 1.00 0.00 N ATOM 984 CA LYS U 31 58.613 -13.814 -14.942 1.00 0.00 C ATOM 985 C LYS U 31 59.477 -14.389 -13.815 1.00 0.00 C ATOM 986 O LYS U 31 59.609 -15.605 -13.679 1.00 0.00 O ATOM 987 CB LYS U 31 59.487 -13.015 -15.911 1.00 0.00 C ATOM 988 CG LYS U 31 59.271 -13.388 -17.370 1.00 0.00 C ATOM 989 CD LYS U 31 58.193 -12.530 -18.012 1.00 0.00 C ATOM 990 CE LYS U 31 57.281 -13.355 -18.906 1.00 0.00 C ATOM 991 NZ LYS U 31 58.041 -14.062 -19.972 1.00 0.00 N ATOM 0 H LYS U 31 57.635 -11.975 -14.621 1.00 0.00 H new ATOM 0 HA LYS U 31 58.155 -14.653 -15.466 1.00 0.00 H new ATOM 0 HB2 LYS U 31 59.282 -11.952 -15.781 1.00 0.00 H new ATOM 0 HB3 LYS U 31 60.535 -13.171 -15.656 1.00 0.00 H new ATOM 0 HG2 LYS U 31 60.205 -13.270 -17.919 1.00 0.00 H new ATOM 0 HG3 LYS U 31 58.990 -14.439 -17.440 1.00 0.00 H new ATOM 0 HD2 LYS U 31 57.601 -12.046 -17.235 1.00 0.00 H new ATOM 0 HD3 LYS U 31 58.659 -11.738 -18.598 1.00 0.00 H new ATOM 0 HE2 LYS U 31 56.741 -14.083 -18.301 1.00 0.00 H new ATOM 0 HE3 LYS U 31 56.535 -12.705 -19.363 1.00 0.00 H new ATOM 0 HZ1 LYS U 31 57.376 -14.473 -20.658 1.00 0.00 H new ATOM 0 HZ2 LYS U 31 58.667 -13.388 -20.458 1.00 0.00 H new ATOM 0 HZ3 LYS U 31 58.612 -14.820 -19.547 1.00 0.00 H new ATOM 1005 N ILE U 32 60.065 -13.504 -13.024 1.00 0.00 N ATOM 1006 CA ILE U 32 60.929 -13.890 -11.915 1.00 0.00 C ATOM 1007 C ILE U 32 60.205 -14.808 -10.952 1.00 0.00 C ATOM 1008 O ILE U 32 60.797 -15.726 -10.401 1.00 0.00 O ATOM 1009 CB ILE U 32 61.436 -12.663 -11.140 1.00 0.00 C ATOM 1010 CG1 ILE U 32 62.359 -11.827 -12.018 1.00 0.00 C ATOM 1011 CG2 ILE U 32 62.153 -13.096 -9.869 1.00 0.00 C ATOM 1012 CD1 ILE U 32 62.434 -10.379 -11.600 1.00 0.00 C ATOM 0 H ILE U 32 59.957 -12.495 -13.132 1.00 0.00 H new ATOM 0 HA ILE U 32 61.780 -14.415 -12.350 1.00 0.00 H new ATOM 0 HB ILE U 32 60.579 -12.051 -10.859 1.00 0.00 H new ATOM 0 HG12 ILE U 32 63.360 -12.257 -11.993 1.00 0.00 H new ATOM 0 HG13 ILE U 32 62.014 -11.882 -13.051 1.00 0.00 H new ATOM 0 HG21 ILE U 32 62.506 -12.215 -9.332 1.00 0.00 H new ATOM 0 HG22 ILE U 32 61.465 -13.656 -9.236 1.00 0.00 H new ATOM 0 HG23 ILE U 32 63.003 -13.728 -10.128 1.00 0.00 H new ATOM 0 HD11 ILE U 32 63.108 -9.842 -12.267 1.00 0.00 H new ATOM 0 HD12 ILE U 32 61.441 -9.933 -11.652 1.00 0.00 H new ATOM 0 HD13 ILE U 32 62.807 -10.314 -10.578 1.00 0.00 H new ATOM 1024 N GLU U 33 58.920 -14.558 -10.759 1.00 0.00 N ATOM 1025 CA GLU U 33 58.117 -15.384 -9.871 1.00 0.00 C ATOM 1026 C GLU U 33 57.969 -16.769 -10.475 1.00 0.00 C ATOM 1027 O GLU U 33 57.963 -17.775 -9.765 1.00 0.00 O ATOM 1028 CB GLU U 33 56.739 -14.761 -9.655 1.00 0.00 C ATOM 1029 CG GLU U 33 55.859 -15.528 -8.681 1.00 0.00 C ATOM 1030 CD GLU U 33 55.150 -16.699 -9.331 1.00 0.00 C ATOM 1031 OE1 GLU U 33 54.059 -16.490 -9.901 1.00 0.00 O ATOM 1032 OE2 GLU U 33 55.685 -17.826 -9.270 1.00 0.00 O ATOM 0 H GLU U 33 58.412 -13.793 -11.203 1.00 0.00 H new ATOM 0 HA GLU U 33 58.616 -15.455 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU U 33 56.866 -13.742 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU U 33 56.228 -14.694 -10.615 1.00 0.00 H new ATOM 0 HG2 GLU U 33 56.470 -15.892 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU U 33 55.118 -14.851 -8.256 1.00 0.00 H new ATOM 1039 N ALA U 34 57.857 -16.810 -11.801 1.00 0.00 N ATOM 1040 CA ALA U 34 57.717 -18.080 -12.509 1.00 0.00 C ATOM 1041 C ALA U 34 59.044 -18.839 -12.550 1.00 0.00 C ATOM 1042 O ALA U 34 59.070 -20.059 -12.709 1.00 0.00 O ATOM 1043 CB ALA U 34 57.197 -17.842 -13.918 1.00 0.00 C ATOM 0 H ALA U 34 57.860 -15.986 -12.402 1.00 0.00 H new ATOM 0 HA ALA U 34 56.997 -18.693 -11.966 1.00 0.00 H new ATOM 0 HB1 ALA U 34 57.097 -18.796 -14.435 1.00 0.00 H new ATOM 0 HB2 ALA U 34 56.224 -17.352 -13.869 1.00 0.00 H new ATOM 0 HB3 ALA U 34 57.896 -17.206 -14.461 1.00 0.00 H new ATOM 1049 N GLU U 35 60.141 -18.101 -12.421 1.00 0.00 N ATOM 1050 CA GLU U 35 61.483 -18.679 -12.458 1.00 0.00 C ATOM 1051 C GLU U 35 61.921 -19.214 -11.090 1.00 0.00 C ATOM 1052 O GLU U 35 62.576 -20.253 -11.004 1.00 0.00 O ATOM 1053 CB GLU U 35 62.474 -17.615 -12.951 1.00 0.00 C ATOM 1054 CG GLU U 35 63.930 -17.884 -12.591 1.00 0.00 C ATOM 1055 CD GLU U 35 64.746 -16.610 -12.494 1.00 0.00 C ATOM 1056 OE1 GLU U 35 64.790 -16.018 -11.394 1.00 0.00 O ATOM 1057 OE2 GLU U 35 65.339 -16.205 -13.515 1.00 0.00 O ATOM 0 H GLU U 35 60.128 -17.090 -12.288 1.00 0.00 H new ATOM 0 HA GLU U 35 61.468 -19.527 -13.142 1.00 0.00 H new ATOM 0 HB2 GLU U 35 62.391 -17.535 -14.035 1.00 0.00 H new ATOM 0 HB3 GLU U 35 62.184 -16.649 -12.537 1.00 0.00 H new ATOM 0 HG2 GLU U 35 63.974 -18.414 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU U 35 64.372 -18.539 -13.342 1.00 0.00 H new ATOM 1064 N LYS U 36 61.582 -18.488 -10.030 1.00 0.00 N ATOM 1065 CA LYS U 36 61.963 -18.871 -8.681 1.00 0.00 C ATOM 1066 C LYS U 36 60.844 -19.626 -7.967 1.00 0.00 C ATOM 1067 O LYS U 36 61.040 -20.755 -7.518 1.00 0.00 O ATOM 1068 CB LYS U 36 62.359 -17.627 -7.898 1.00 0.00 C ATOM 1069 CG LYS U 36 63.714 -17.753 -7.232 1.00 0.00 C ATOM 1070 CD LYS U 36 64.809 -18.035 -8.248 1.00 0.00 C ATOM 1071 CE LYS U 36 65.170 -19.512 -8.282 1.00 0.00 C ATOM 1072 NZ LYS U 36 66.548 -19.759 -7.778 1.00 0.00 N ATOM 0 H LYS U 36 61.040 -17.625 -10.083 1.00 0.00 H new ATOM 0 HA LYS U 36 62.814 -19.550 -8.743 1.00 0.00 H new ATOM 0 HB2 LYS U 36 62.369 -16.769 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS U 36 61.604 -17.427 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS U 36 63.943 -16.833 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS U 36 63.685 -18.555 -6.494 1.00 0.00 H new ATOM 0 HD2 LYS U 36 64.480 -17.717 -9.237 1.00 0.00 H new ATOM 0 HD3 LYS U 36 65.694 -17.448 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS U 36 64.457 -20.074 -7.679 1.00 0.00 H new ATOM 0 HE3 LYS U 36 65.085 -19.883 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS U 36 66.755 -20.777 -7.818 1.00 0.00 H new ATOM 0 HZ2 LYS U 36 67.231 -19.244 -8.369 1.00 0.00 H new ATOM 0 HZ3 LYS U 36 66.622 -19.429 -6.795 1.00 0.00 H new ATOM 1086 N GLY U 37 59.670 -19.005 -7.861 1.00 0.00 N ATOM 1087 CA GLY U 37 58.557 -19.651 -7.197 1.00 0.00 C ATOM 1088 C GLY U 37 57.423 -18.693 -6.895 1.00 0.00 C ATOM 1089 O GLY U 37 57.652 -17.523 -6.592 1.00 0.00 O ATOM 0 H GLY U 37 59.474 -18.071 -8.222 1.00 0.00 H new ATOM 0 HA2 GLY U 37 58.186 -20.462 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY U 37 58.905 -20.101 -6.267 1.00 0.00 H new ATOM 1093 N ARG U 38 56.197 -19.197 -6.964 1.00 0.00 N ATOM 1094 CA ARG U 38 55.020 -18.385 -6.682 1.00 0.00 C ATOM 1095 C ARG U 38 54.820 -18.245 -5.179 1.00 0.00 C ATOM 1096 O ARG U 38 53.867 -17.614 -4.722 1.00 0.00 O ATOM 1097 CB ARG U 38 53.777 -19.005 -7.322 1.00 0.00 C ATOM 1098 CG ARG U 38 53.258 -20.225 -6.580 1.00 0.00 C ATOM 1099 CD ARG U 38 52.085 -20.862 -7.306 1.00 0.00 C ATOM 1100 NE ARG U 38 52.182 -22.320 -7.329 1.00 0.00 N ATOM 1101 CZ ARG U 38 52.086 -23.082 -6.245 1.00 0.00 C ATOM 1102 NH1 ARG U 38 51.893 -22.527 -5.056 1.00 0.00 N ATOM 1103 NH2 ARG U 38 52.183 -24.401 -6.349 1.00 0.00 N ATOM 0 H ARG U 38 55.992 -20.165 -7.213 1.00 0.00 H new ATOM 0 HA ARG U 38 55.175 -17.394 -7.109 1.00 0.00 H new ATOM 0 HB2 ARG U 38 52.988 -18.254 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG U 38 54.009 -19.286 -8.349 1.00 0.00 H new ATOM 0 HG2 ARG U 38 54.060 -20.955 -6.472 1.00 0.00 H new ATOM 0 HG3 ARG U 38 52.952 -19.937 -5.574 1.00 0.00 H new ATOM 0 HD2 ARG U 38 51.155 -20.568 -6.820 1.00 0.00 H new ATOM 0 HD3 ARG U 38 52.043 -20.485 -8.328 1.00 0.00 H new ATOM 0 HE ARG U 38 52.332 -22.778 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG U 38 51.818 -21.513 -4.973 1.00 0.00 H new ATOM 0 HH12 ARG U 38 51.820 -23.114 -4.225 1.00 0.00 H new ATOM 0 HH21 ARG U 38 52.331 -24.831 -7.262 1.00 0.00 H new ATOM 0 HH22 ARG U 38 52.109 -24.985 -5.516 1.00 0.00 H new ATOM 1117 N ASP U 39 55.738 -18.827 -4.416 1.00 0.00 N ATOM 1118 CA ASP U 39 55.682 -18.757 -2.963 1.00 0.00 C ATOM 1119 C ASP U 39 56.780 -17.838 -2.462 1.00 0.00 C ATOM 1120 O ASP U 39 56.575 -17.027 -1.559 1.00 0.00 O ATOM 1121 CB ASP U 39 55.845 -20.149 -2.347 1.00 0.00 C ATOM 1122 CG ASP U 39 54.824 -21.138 -2.874 1.00 0.00 C ATOM 1123 OD1 ASP U 39 53.708 -21.194 -2.316 1.00 0.00 O ATOM 1124 OD2 ASP U 39 55.138 -21.854 -3.847 1.00 0.00 O ATOM 0 H ASP U 39 56.531 -19.354 -4.782 1.00 0.00 H new ATOM 0 HA ASP U 39 54.710 -18.364 -2.666 1.00 0.00 H new ATOM 0 HB2 ASP U 39 56.848 -20.521 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP U 39 55.751 -20.077 -1.263 1.00 0.00 H new ATOM 1129 N ALA U 40 57.951 -17.978 -3.067 1.00 0.00 N ATOM 1130 CA ALA U 40 59.102 -17.173 -2.706 1.00 0.00 C ATOM 1131 C ALA U 40 59.220 -15.914 -3.590 1.00 0.00 C ATOM 1132 O ALA U 40 60.092 -15.092 -3.339 1.00 0.00 O ATOM 1133 CB ALA U 40 60.366 -18.015 -2.806 1.00 0.00 C ATOM 0 H ALA U 40 58.126 -18.648 -3.816 1.00 0.00 H new ATOM 0 HA ALA U 40 58.971 -16.835 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA U 40 61.230 -17.408 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA U 40 60.292 -18.865 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA U 40 60.483 -18.376 -3.828 1.00 0.00 H new ATOM 1139 N PHE U 41 58.335 -15.745 -4.604 1.00 0.00 N ATOM 1140 CA PHE U 41 58.379 -14.547 -5.478 1.00 0.00 C ATOM 1141 C PHE U 41 56.994 -14.184 -6.007 1.00 0.00 C ATOM 1142 O PHE U 41 56.869 -13.745 -7.151 1.00 0.00 O ATOM 1143 CB PHE U 41 59.291 -14.724 -6.712 1.00 0.00 C ATOM 1144 CG PHE U 41 60.755 -14.527 -6.478 1.00 0.00 C ATOM 1145 CD1 PHE U 41 61.248 -13.957 -5.317 1.00 0.00 C ATOM 1146 CD2 PHE U 41 61.645 -14.947 -7.441 1.00 0.00 C ATOM 1147 CE1 PHE U 41 62.610 -13.817 -5.129 1.00 0.00 C ATOM 1148 CE2 PHE U 41 63.001 -14.806 -7.268 1.00 0.00 C ATOM 1149 CZ PHE U 41 63.489 -14.243 -6.107 1.00 0.00 C ATOM 0 H PHE U 41 57.596 -16.409 -4.834 1.00 0.00 H new ATOM 0 HA PHE U 41 58.778 -13.760 -4.838 1.00 0.00 H new ATOM 0 HB2 PHE U 41 59.139 -15.727 -7.111 1.00 0.00 H new ATOM 0 HB3 PHE U 41 58.968 -14.022 -7.481 1.00 0.00 H new ATOM 0 HD1 PHE U 41 60.564 -13.619 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE U 41 61.270 -15.396 -8.349 1.00 0.00 H new ATOM 0 HE1 PHE U 41 62.987 -13.375 -4.219 1.00 0.00 H new ATOM 0 HE2 PHE U 41 63.682 -15.135 -8.039 1.00 0.00 H new ATOM 0 HZ PHE U 41 64.554 -14.135 -5.963 1.00 0.00 H new ATOM 1159 N PRO U 42 55.938 -14.350 -5.201 1.00 0.00 N ATOM 1160 CA PRO U 42 54.577 -14.026 -5.632 1.00 0.00 C ATOM 1161 C PRO U 42 54.431 -12.547 -5.974 1.00 0.00 C ATOM 1162 O PRO U 42 54.583 -11.685 -5.111 1.00 0.00 O ATOM 1163 CB PRO U 42 53.710 -14.408 -4.426 1.00 0.00 C ATOM 1164 CG PRO U 42 54.647 -14.441 -3.266 1.00 0.00 C ATOM 1165 CD PRO U 42 55.984 -14.846 -3.821 1.00 0.00 C ATOM 0 HA PRO U 42 54.292 -14.556 -6.541 1.00 0.00 H new ATOM 0 HB2 PRO U 42 52.913 -13.681 -4.268 1.00 0.00 H new ATOM 0 HB3 PRO U 42 53.233 -15.377 -4.575 1.00 0.00 H new ATOM 0 HG2 PRO U 42 54.705 -13.465 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO U 42 54.308 -15.150 -2.511 1.00 0.00 H new ATOM 0 HD2 PRO U 42 56.805 -14.400 -3.260 1.00 0.00 H new ATOM 0 HD3 PRO U 42 56.124 -15.926 -3.786 1.00 0.00 H new ATOM 1173 N VAL U 43 54.156 -12.268 -7.250 1.00 0.00 N ATOM 1174 CA VAL U 43 54.007 -10.895 -7.732 1.00 0.00 C ATOM 1175 C VAL U 43 53.507 -9.960 -6.639 1.00 0.00 C ATOM 1176 O VAL U 43 53.943 -8.814 -6.545 1.00 0.00 O ATOM 1177 CB VAL U 43 53.068 -10.814 -8.950 1.00 0.00 C ATOM 1178 CG1 VAL U 43 53.857 -11.024 -10.228 1.00 0.00 C ATOM 1179 CG2 VAL U 43 51.945 -11.832 -8.850 1.00 0.00 C ATOM 0 H VAL U 43 54.032 -12.979 -7.970 1.00 0.00 H new ATOM 0 HA VAL U 43 55.002 -10.571 -8.037 1.00 0.00 H new ATOM 0 HB VAL U 43 52.618 -9.821 -8.966 1.00 0.00 H new ATOM 0 HG11 VAL U 43 53.185 -10.965 -11.084 1.00 0.00 H new ATOM 0 HG12 VAL U 43 54.623 -10.253 -10.314 1.00 0.00 H new ATOM 0 HG13 VAL U 43 54.331 -12.005 -10.206 1.00 0.00 H new ATOM 0 HG21 VAL U 43 51.300 -11.749 -9.725 1.00 0.00 H new ATOM 0 HG22 VAL U 43 52.367 -12.836 -8.804 1.00 0.00 H new ATOM 0 HG23 VAL U 43 51.361 -11.642 -7.949 1.00 0.00 H new ATOM 1189 N ALA U 44 52.606 -10.457 -5.803 1.00 0.00 N ATOM 1190 CA ALA U 44 52.074 -9.658 -4.706 1.00 0.00 C ATOM 1191 C ALA U 44 53.214 -9.077 -3.873 1.00 0.00 C ATOM 1192 O ALA U 44 53.400 -7.862 -3.810 1.00 0.00 O ATOM 1193 CB ALA U 44 51.153 -10.498 -3.834 1.00 0.00 C ATOM 0 H ALA U 44 52.230 -11.403 -5.862 1.00 0.00 H new ATOM 0 HA ALA U 44 51.495 -8.835 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA U 44 50.765 -9.886 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA U 44 50.324 -10.871 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA U 44 51.710 -11.339 -3.422 1.00 0.00 H new ATOM 1199 N GLY U 45 53.982 -9.965 -3.247 1.00 0.00 N ATOM 1200 CA GLY U 45 55.108 -9.546 -2.433 1.00 0.00 C ATOM 1201 C GLY U 45 56.331 -9.226 -3.259 1.00 0.00 C ATOM 1202 O GLY U 45 57.398 -8.949 -2.714 1.00 0.00 O ATOM 0 H GLY U 45 53.842 -10.974 -3.290 1.00 0.00 H new ATOM 0 HA2 GLY U 45 54.826 -8.668 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY U 45 55.351 -10.335 -1.721 1.00 0.00 H new ATOM 1206 N GLN U 46 56.184 -9.272 -4.575 1.00 0.00 N ATOM 1207 CA GLN U 46 57.299 -8.996 -5.463 1.00 0.00 C ATOM 1208 C GLN U 46 57.713 -7.523 -5.424 1.00 0.00 C ATOM 1209 O GLN U 46 56.916 -6.605 -5.694 1.00 0.00 O ATOM 1210 CB GLN U 46 56.974 -9.420 -6.887 1.00 0.00 C ATOM 1211 CG GLN U 46 57.332 -10.870 -7.170 1.00 0.00 C ATOM 1212 CD GLN U 46 58.739 -11.021 -7.711 1.00 0.00 C ATOM 1213 OE1 GLN U 46 59.608 -10.184 -7.462 1.00 0.00 O ATOM 1214 NE2 GLN U 46 58.971 -12.096 -8.450 1.00 0.00 N ATOM 0 H GLN U 46 55.308 -9.497 -5.047 1.00 0.00 H new ATOM 0 HA GLN U 46 58.145 -9.583 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN U 46 55.910 -9.271 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN U 46 57.511 -8.776 -7.584 1.00 0.00 H new ATOM 0 HG2 GLN U 46 57.233 -11.452 -6.253 1.00 0.00 H new ATOM 0 HG3 GLN U 46 56.623 -11.283 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN U 46 58.220 -12.763 -8.630 1.00 0.00 H new ATOM 0 HE22 GLN U 46 59.900 -12.257 -8.839 1.00 0.00 H new ATOM 1223 N LYS U 47 58.981 -7.324 -5.097 1.00 0.00 N ATOM 1224 CA LYS U 47 59.582 -6.003 -5.017 1.00 0.00 C ATOM 1225 C LYS U 47 61.039 -6.100 -5.444 1.00 0.00 C ATOM 1226 O LYS U 47 61.616 -7.185 -5.439 1.00 0.00 O ATOM 1227 CB LYS U 47 59.480 -5.446 -3.597 1.00 0.00 C ATOM 1228 CG LYS U 47 58.386 -4.404 -3.431 1.00 0.00 C ATOM 1229 CD LYS U 47 57.956 -4.273 -1.979 1.00 0.00 C ATOM 1230 CE LYS U 47 56.489 -4.630 -1.800 1.00 0.00 C ATOM 1231 NZ LYS U 47 56.174 -4.990 -0.390 1.00 0.00 N ATOM 0 H LYS U 47 59.627 -8.082 -4.878 1.00 0.00 H new ATOM 0 HA LYS U 47 59.048 -5.323 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS U 47 59.296 -6.268 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS U 47 60.437 -5.004 -3.319 1.00 0.00 H new ATOM 0 HG2 LYS U 47 58.742 -3.440 -3.794 1.00 0.00 H new ATOM 0 HG3 LYS U 47 57.526 -4.677 -4.043 1.00 0.00 H new ATOM 0 HD2 LYS U 47 58.569 -4.925 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS U 47 58.128 -3.252 -1.638 1.00 0.00 H new ATOM 0 HE2 LYS U 47 55.870 -3.787 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS U 47 56.236 -5.465 -2.453 1.00 0.00 H new ATOM 0 HZ1 LYS U 47 55.165 -5.227 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS U 47 56.746 -5.811 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS U 47 56.391 -4.184 0.231 1.00 0.00 H new ATOM 1245 N LEU U 48 61.628 -4.982 -5.837 1.00 0.00 N ATOM 1246 CA LEU U 48 63.015 -4.984 -6.290 1.00 0.00 C ATOM 1247 C LEU U 48 63.827 -3.879 -5.614 1.00 0.00 C ATOM 1248 O LEU U 48 63.269 -2.980 -5.004 1.00 0.00 O ATOM 1249 CB LEU U 48 63.039 -4.854 -7.811 1.00 0.00 C ATOM 1250 CG LEU U 48 63.036 -6.195 -8.563 1.00 0.00 C ATOM 1251 CD1 LEU U 48 61.870 -7.057 -8.129 1.00 0.00 C ATOM 1252 CD2 LEU U 48 62.952 -5.982 -10.055 1.00 0.00 C ATOM 0 H LEU U 48 61.175 -4.068 -5.853 1.00 0.00 H new ATOM 0 HA LEU U 48 63.485 -5.926 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU U 48 62.173 -4.272 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU U 48 63.926 -4.290 -8.101 1.00 0.00 H new ATOM 0 HG LEU U 48 63.972 -6.699 -8.322 1.00 0.00 H new ATOM 0 HD11 LEU U 48 61.891 -8.000 -8.676 1.00 0.00 H new ATOM 0 HD12 LEU U 48 61.943 -7.256 -7.060 1.00 0.00 H new ATOM 0 HD13 LEU U 48 60.935 -6.537 -8.338 1.00 0.00 H new ATOM 0 HD21 LEU U 48 62.952 -6.947 -10.561 1.00 0.00 H new ATOM 0 HD22 LEU U 48 62.034 -5.446 -10.295 1.00 0.00 H new ATOM 0 HD23 LEU U 48 63.810 -5.398 -10.388 1.00 0.00 H new ATOM 1264 N ILE U 49 65.149 -3.960 -5.700 1.00 0.00 N ATOM 1265 CA ILE U 49 66.005 -2.954 -5.072 1.00 0.00 C ATOM 1266 C ILE U 49 67.036 -2.415 -6.033 1.00 0.00 C ATOM 1267 O ILE U 49 67.930 -3.140 -6.470 1.00 0.00 O ATOM 1268 CB ILE U 49 66.764 -3.509 -3.856 1.00 0.00 C ATOM 1269 CG1 ILE U 49 66.059 -4.741 -3.294 1.00 0.00 C ATOM 1270 CG2 ILE U 49 66.899 -2.426 -2.797 1.00 0.00 C ATOM 1271 CD1 ILE U 49 64.671 -4.461 -2.772 1.00 0.00 C ATOM 0 H ILE U 49 65.649 -4.701 -6.191 1.00 0.00 H new ATOM 0 HA ILE U 49 65.327 -2.161 -4.757 1.00 0.00 H new ATOM 0 HB ILE U 49 67.762 -3.815 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE U 49 65.998 -5.501 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE U 49 66.663 -5.158 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE U 49 67.438 -2.823 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE U 49 67.448 -1.580 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE U 49 65.908 -2.097 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE U 49 64.233 -5.383 -2.389 1.00 0.00 H new ATOM 0 HD12 ILE U 49 64.726 -3.725 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE U 49 64.050 -4.073 -3.579 1.00 0.00 H new ATOM 1283 N TYR U 50 66.936 -1.133 -6.336 1.00 0.00 N ATOM 1284 CA TYR U 50 67.898 -0.515 -7.222 1.00 0.00 C ATOM 1285 C TYR U 50 68.581 0.654 -6.534 1.00 0.00 C ATOM 1286 O TYR U 50 68.011 1.737 -6.419 1.00 0.00 O ATOM 1287 CB TYR U 50 67.250 -0.056 -8.528 1.00 0.00 C ATOM 1288 CG TYR U 50 68.225 -0.048 -9.679 1.00 0.00 C ATOM 1289 CD1 TYR U 50 68.603 -1.228 -10.312 1.00 0.00 C ATOM 1290 CD2 TYR U 50 68.794 1.137 -10.111 1.00 0.00 C ATOM 1291 CE1 TYR U 50 69.516 -1.219 -11.346 1.00 0.00 C ATOM 1292 CE2 TYR U 50 69.709 1.156 -11.142 1.00 0.00 C ATOM 1293 CZ TYR U 50 70.068 -0.024 -11.757 1.00 0.00 C ATOM 1294 OH TYR U 50 70.981 -0.007 -12.786 1.00 0.00 O ATOM 0 H TYR U 50 66.208 -0.510 -5.986 1.00 0.00 H new ATOM 0 HA TYR U 50 68.647 -1.268 -7.469 1.00 0.00 H new ATOM 0 HB2 TYR U 50 66.414 -0.714 -8.767 1.00 0.00 H new ATOM 0 HB3 TYR U 50 66.840 0.945 -8.395 1.00 0.00 H new ATOM 0 HD1 TYR U 50 68.175 -2.165 -9.989 1.00 0.00 H new ATOM 0 HD2 TYR U 50 68.516 2.064 -9.632 1.00 0.00 H new ATOM 0 HE1 TYR U 50 69.797 -2.142 -11.831 1.00 0.00 H new ATOM 0 HE2 TYR U 50 70.142 2.091 -11.466 1.00 0.00 H new ATOM 0 HH TYR U 50 71.834 0.348 -12.460 1.00 0.00 H new ATOM 1304 N ALA U 51 69.804 0.432 -6.073 1.00 0.00 N ATOM 1305 CA ALA U 51 70.547 1.479 -5.395 1.00 0.00 C ATOM 1306 C ALA U 51 69.918 1.785 -4.042 1.00 0.00 C ATOM 1307 O ALA U 51 69.919 2.930 -3.588 1.00 0.00 O ATOM 1308 CB ALA U 51 70.573 2.725 -6.262 1.00 0.00 C ATOM 0 H ALA U 51 70.297 -0.457 -6.156 1.00 0.00 H new ATOM 0 HA ALA U 51 71.569 1.141 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA U 51 71.131 3.511 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA U 51 71.054 2.496 -7.213 1.00 0.00 H new ATOM 0 HB3 ALA U 51 69.553 3.063 -6.443 1.00 0.00 H new ATOM 1314 N GLY U 52 69.365 0.755 -3.412 1.00 0.00 N ATOM 1315 CA GLY U 52 68.719 0.933 -2.127 1.00 0.00 C ATOM 1316 C GLY U 52 67.300 1.444 -2.275 1.00 0.00 C ATOM 1317 O GLY U 52 66.587 1.619 -1.288 1.00 0.00 O ATOM 0 H GLY U 52 69.353 -0.200 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY U 52 68.709 -0.016 -1.591 1.00 0.00 H new ATOM 0 HA3 GLY U 52 69.296 1.634 -1.524 1.00 0.00 H new ATOM 1321 N LYS U 53 66.894 1.685 -3.519 1.00 0.00 N ATOM 1322 CA LYS U 53 65.556 2.182 -3.810 1.00 0.00 C ATOM 1323 C LYS U 53 64.578 1.033 -4.081 1.00 0.00 C ATOM 1324 O LYS U 53 64.468 0.602 -5.224 1.00 0.00 O ATOM 1325 CB LYS U 53 65.591 3.072 -5.052 1.00 0.00 C ATOM 1326 CG LYS U 53 65.592 4.559 -4.742 1.00 0.00 C ATOM 1327 CD LYS U 53 64.267 5.207 -5.111 1.00 0.00 C ATOM 1328 CE LYS U 53 63.563 5.771 -3.887 1.00 0.00 C ATOM 1329 NZ LYS U 53 62.164 6.181 -4.192 1.00 0.00 N ATOM 0 H LYS U 53 67.477 1.543 -4.344 1.00 0.00 H new ATOM 0 HA LYS U 53 65.221 2.743 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS U 53 66.480 2.831 -5.635 1.00 0.00 H new ATOM 0 HB3 LYS U 53 64.728 2.841 -5.677 1.00 0.00 H new ATOM 0 HG2 LYS U 53 65.789 4.710 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS U 53 66.400 5.045 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS U 53 64.440 6.005 -5.833 1.00 0.00 H new ATOM 0 HD3 LYS U 53 63.624 4.472 -5.596 1.00 0.00 H new ATOM 0 HE2 LYS U 53 63.558 5.023 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS U 53 64.119 6.630 -3.511 1.00 0.00 H new ATOM 0 HZ1 LYS U 53 61.718 6.560 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS U 53 62.170 6.913 -4.931 1.00 0.00 H new ATOM 0 HZ3 LYS U 53 61.626 5.356 -4.526 1.00 0.00 H new ATOM 1343 N ILE U 54 63.858 0.533 -3.065 1.00 0.00 N ATOM 1344 CA ILE U 54 62.904 -0.541 -3.303 1.00 0.00 C ATOM 1345 C ILE U 54 61.969 -0.142 -4.446 1.00 0.00 C ATOM 1346 O ILE U 54 61.797 1.042 -4.725 1.00 0.00 O ATOM 1347 CB ILE U 54 62.079 -0.856 -2.029 1.00 0.00 C ATOM 1348 CG1 ILE U 54 62.874 -1.783 -1.101 1.00 0.00 C ATOM 1349 CG2 ILE U 54 60.730 -1.476 -2.380 1.00 0.00 C ATOM 1350 CD1 ILE U 54 62.582 -3.254 -1.311 1.00 0.00 C ATOM 0 H ILE U 54 63.920 0.850 -2.098 1.00 0.00 H new ATOM 0 HA ILE U 54 63.457 -1.441 -3.572 1.00 0.00 H new ATOM 0 HB ILE U 54 61.886 0.083 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE U 54 63.939 -1.608 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE U 54 62.653 -1.522 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE U 54 60.176 -1.685 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE U 54 60.160 -0.782 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE U 54 60.888 -2.405 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE U 54 63.181 -3.846 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE U 54 61.524 -3.444 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE U 54 62.830 -3.532 -2.335 1.00 0.00 H new ATOM 1362 N LEU U 55 61.363 -1.126 -5.096 1.00 0.00 N ATOM 1363 CA LEU U 55 60.450 -0.864 -6.198 1.00 0.00 C ATOM 1364 C LEU U 55 59.275 -1.826 -6.149 1.00 0.00 C ATOM 1365 O LEU U 55 59.377 -2.971 -6.590 1.00 0.00 O ATOM 1366 CB LEU U 55 61.158 -0.973 -7.558 1.00 0.00 C ATOM 1367 CG LEU U 55 62.469 -1.764 -7.573 1.00 0.00 C ATOM 1368 CD1 LEU U 55 62.802 -2.212 -8.988 1.00 0.00 C ATOM 1369 CD2 LEU U 55 63.605 -0.925 -7.021 1.00 0.00 C ATOM 0 H LEU U 55 61.488 -2.115 -4.878 1.00 0.00 H new ATOM 0 HA LEU U 55 60.086 0.158 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU U 55 60.471 -1.435 -8.267 1.00 0.00 H new ATOM 0 HB3 LEU U 55 61.361 0.035 -7.921 1.00 0.00 H new ATOM 0 HG LEU U 55 62.342 -2.644 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU U 55 63.737 -2.773 -8.982 1.00 0.00 H new ATOM 0 HD12 LEU U 55 62.001 -2.846 -9.367 1.00 0.00 H new ATOM 0 HD13 LEU U 55 62.908 -1.338 -9.631 1.00 0.00 H new ATOM 0 HD21 LEU U 55 64.528 -1.505 -7.040 1.00 0.00 H new ATOM 0 HD22 LEU U 55 63.726 -0.030 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU U 55 63.379 -0.637 -5.994 1.00 0.00 H new ATOM 1381 N SER U 56 58.163 -1.349 -5.609 1.00 0.00 N ATOM 1382 CA SER U 56 56.961 -2.157 -5.501 1.00 0.00 C ATOM 1383 C SER U 56 56.533 -2.631 -6.903 1.00 0.00 C ATOM 1384 O SER U 56 56.620 -1.853 -7.847 1.00 0.00 O ATOM 1385 CB SER U 56 55.847 -1.319 -4.877 1.00 0.00 C ATOM 1386 OG SER U 56 54.581 -1.670 -5.406 1.00 0.00 O ATOM 0 H SER U 56 58.070 -0.403 -5.238 1.00 0.00 H new ATOM 0 HA SER U 56 57.157 -3.026 -4.873 1.00 0.00 H new ATOM 0 HB2 SER U 56 55.844 -1.461 -3.796 1.00 0.00 H new ATOM 0 HB3 SER U 56 56.039 -0.262 -5.059 1.00 0.00 H new ATOM 0 HG SER U 56 53.887 -1.119 -4.987 1.00 0.00 H new ATOM 1392 N ASP U 57 56.090 -3.887 -7.073 1.00 0.00 N ATOM 1393 CA ASP U 57 55.699 -4.358 -8.400 1.00 0.00 C ATOM 1394 C ASP U 57 54.771 -3.384 -9.144 1.00 0.00 C ATOM 1395 O ASP U 57 54.597 -3.516 -10.354 1.00 0.00 O ATOM 1396 CB ASP U 57 55.024 -5.726 -8.295 1.00 0.00 C ATOM 1397 CG ASP U 57 53.657 -5.651 -7.641 1.00 0.00 C ATOM 1398 OD1 ASP U 57 52.923 -4.677 -7.909 1.00 0.00 O ATOM 1399 OD2 ASP U 57 53.322 -6.566 -6.860 1.00 0.00 O ATOM 0 H ASP U 57 55.997 -4.575 -6.326 1.00 0.00 H new ATOM 0 HA ASP U 57 56.618 -4.430 -8.982 1.00 0.00 H new ATOM 0 HB2 ASP U 57 54.923 -6.155 -9.292 1.00 0.00 H new ATOM 0 HB3 ASP U 57 55.661 -6.399 -7.721 1.00 0.00 H new ATOM 1404 N ASP U 58 54.151 -2.428 -8.447 1.00 0.00 N ATOM 1405 CA ASP U 58 53.237 -1.498 -9.114 1.00 0.00 C ATOM 1406 C ASP U 58 53.903 -0.161 -9.460 1.00 0.00 C ATOM 1407 O ASP U 58 53.225 0.855 -9.617 1.00 0.00 O ATOM 1408 CB ASP U 58 52.003 -1.253 -8.244 1.00 0.00 C ATOM 1409 CG ASP U 58 51.015 -0.307 -8.899 1.00 0.00 C ATOM 1410 OD1 ASP U 58 51.099 -0.119 -10.131 1.00 0.00 O ATOM 1411 OD2 ASP U 58 50.156 0.245 -8.180 1.00 0.00 O ATOM 0 H ASP U 58 54.261 -2.279 -7.444 1.00 0.00 H new ATOM 0 HA ASP U 58 52.941 -1.965 -10.053 1.00 0.00 H new ATOM 0 HB2 ASP U 58 51.511 -2.204 -8.039 1.00 0.00 H new ATOM 0 HB3 ASP U 58 52.314 -0.842 -7.284 1.00 0.00 H new ATOM 1416 N VAL U 59 55.221 -0.172 -9.605 1.00 0.00 N ATOM 1417 CA VAL U 59 55.975 1.029 -9.966 1.00 0.00 C ATOM 1418 C VAL U 59 56.723 0.768 -11.266 1.00 0.00 C ATOM 1419 O VAL U 59 56.788 -0.359 -11.697 1.00 0.00 O ATOM 1420 CB VAL U 59 56.979 1.419 -8.864 1.00 0.00 C ATOM 1421 CG1 VAL U 59 56.319 1.362 -7.495 1.00 0.00 C ATOM 1422 CG2 VAL U 59 58.202 0.514 -8.910 1.00 0.00 C ATOM 0 H VAL U 59 55.797 -1.004 -9.478 1.00 0.00 H new ATOM 0 HA VAL U 59 55.274 1.855 -10.087 1.00 0.00 H new ATOM 0 HB VAL U 59 57.305 2.443 -9.043 1.00 0.00 H new ATOM 0 HG11 VAL U 59 57.044 1.641 -6.730 1.00 0.00 H new ATOM 0 HG12 VAL U 59 55.478 2.055 -7.467 1.00 0.00 H new ATOM 0 HG13 VAL U 59 55.962 0.350 -7.305 1.00 0.00 H new ATOM 0 HG21 VAL U 59 58.900 0.805 -8.125 1.00 0.00 H new ATOM 0 HG22 VAL U 59 57.895 -0.521 -8.758 1.00 0.00 H new ATOM 0 HG23 VAL U 59 58.689 0.609 -9.881 1.00 0.00 H new ATOM 1432 N PRO U 60 57.286 1.787 -11.925 1.00 0.00 N ATOM 1433 CA PRO U 60 58.006 1.603 -13.187 1.00 0.00 C ATOM 1434 C PRO U 60 59.457 1.176 -12.976 1.00 0.00 C ATOM 1435 O PRO U 60 60.213 1.858 -12.284 1.00 0.00 O ATOM 1436 CB PRO U 60 57.939 2.989 -13.844 1.00 0.00 C ATOM 1437 CG PRO U 60 57.201 3.873 -12.876 1.00 0.00 C ATOM 1438 CD PRO U 60 57.263 3.192 -11.537 1.00 0.00 C ATOM 0 HA PRO U 60 57.567 0.810 -13.793 1.00 0.00 H new ATOM 0 HB2 PRO U 60 58.939 3.376 -14.041 1.00 0.00 H new ATOM 0 HB3 PRO U 60 57.421 2.942 -14.802 1.00 0.00 H new ATOM 0 HG2 PRO U 60 57.658 4.862 -12.829 1.00 0.00 H new ATOM 0 HG3 PRO U 60 56.167 4.014 -13.191 1.00 0.00 H new ATOM 0 HD2 PRO U 60 58.152 3.476 -10.973 1.00 0.00 H new ATOM 0 HD3 PRO U 60 56.401 3.431 -10.915 1.00 0.00 H new ATOM 1446 N ILE U 61 59.853 0.049 -13.581 1.00 0.00 N ATOM 1447 CA ILE U 61 61.225 -0.429 -13.442 1.00 0.00 C ATOM 1448 C ILE U 61 62.190 0.629 -13.970 1.00 0.00 C ATOM 1449 O ILE U 61 63.287 0.809 -13.448 1.00 0.00 O ATOM 1450 CB ILE U 61 61.483 -1.780 -14.174 1.00 0.00 C ATOM 1451 CG1 ILE U 61 61.953 -1.594 -15.620 1.00 0.00 C ATOM 1452 CG2 ILE U 61 60.242 -2.638 -14.158 1.00 0.00 C ATOM 1453 CD1 ILE U 61 63.390 -1.132 -15.747 1.00 0.00 C ATOM 0 H ILE U 61 59.252 -0.537 -14.161 1.00 0.00 H new ATOM 0 HA ILE U 61 61.391 -0.608 -12.380 1.00 0.00 H new ATOM 0 HB ILE U 61 62.286 -2.275 -13.628 1.00 0.00 H new ATOM 0 HG12 ILE U 61 61.837 -2.538 -16.153 1.00 0.00 H new ATOM 0 HG13 ILE U 61 61.304 -0.869 -16.111 1.00 0.00 H new ATOM 0 HG21 ILE U 61 60.442 -3.577 -14.674 1.00 0.00 H new ATOM 0 HG22 ILE U 61 59.956 -2.844 -13.127 1.00 0.00 H new ATOM 0 HG23 ILE U 61 59.430 -2.113 -14.662 1.00 0.00 H new ATOM 0 HD11 ILE U 61 63.646 -1.024 -16.801 1.00 0.00 H new ATOM 0 HD12 ILE U 61 63.509 -0.172 -15.245 1.00 0.00 H new ATOM 0 HD13 ILE U 61 64.050 -1.867 -15.287 1.00 0.00 H new ATOM 1465 N ARG U 62 61.754 1.329 -15.016 1.00 0.00 N ATOM 1466 CA ARG U 62 62.552 2.380 -15.638 1.00 0.00 C ATOM 1467 C ARG U 62 62.740 3.544 -14.676 1.00 0.00 C ATOM 1468 O ARG U 62 63.736 4.262 -14.743 1.00 0.00 O ATOM 1469 CB ARG U 62 61.882 2.858 -16.935 1.00 0.00 C ATOM 1470 CG ARG U 62 62.084 4.336 -17.234 1.00 0.00 C ATOM 1471 CD ARG U 62 61.928 4.632 -18.716 1.00 0.00 C ATOM 1472 NE ARG U 62 61.040 5.766 -18.956 1.00 0.00 N ATOM 1473 CZ ARG U 62 60.883 6.338 -20.146 1.00 0.00 C ATOM 1474 NH1 ARG U 62 61.549 5.878 -21.197 1.00 0.00 N ATOM 1475 NH2 ARG U 62 60.061 7.368 -20.286 1.00 0.00 N ATOM 0 H ARG U 62 60.844 1.184 -15.453 1.00 0.00 H new ATOM 0 HA ARG U 62 63.534 1.974 -15.883 1.00 0.00 H new ATOM 0 HB2 ARG U 62 62.272 2.274 -17.769 1.00 0.00 H new ATOM 0 HB3 ARG U 62 60.813 2.654 -16.875 1.00 0.00 H new ATOM 0 HG2 ARG U 62 61.363 4.925 -16.667 1.00 0.00 H new ATOM 0 HG3 ARG U 62 63.076 4.643 -16.903 1.00 0.00 H new ATOM 0 HD2 ARG U 62 62.906 4.839 -19.149 1.00 0.00 H new ATOM 0 HD3 ARG U 62 61.535 3.750 -19.223 1.00 0.00 H new ATOM 0 HE ARG U 62 60.511 6.140 -18.168 1.00 0.00 H new ATOM 0 HH11 ARG U 62 62.182 5.085 -21.093 1.00 0.00 H new ATOM 0 HH12 ARG U 62 61.428 6.317 -22.110 1.00 0.00 H new ATOM 0 HH21 ARG U 62 59.547 7.724 -19.480 1.00 0.00 H new ATOM 0 HH22 ARG U 62 59.942 7.805 -21.200 1.00 0.00 H new ATOM 1489 N ASP U 63 61.779 3.719 -13.779 1.00 0.00 N ATOM 1490 CA ASP U 63 61.851 4.787 -12.795 1.00 0.00 C ATOM 1491 C ASP U 63 63.067 4.574 -11.899 1.00 0.00 C ATOM 1492 O ASP U 63 63.542 5.504 -11.246 1.00 0.00 O ATOM 1493 CB ASP U 63 60.578 4.817 -11.948 1.00 0.00 C ATOM 1494 CG ASP U 63 60.564 5.972 -10.966 1.00 0.00 C ATOM 1495 OD1 ASP U 63 61.471 6.826 -11.042 1.00 0.00 O ATOM 1496 OD2 ASP U 63 59.645 6.023 -10.122 1.00 0.00 O ATOM 0 H ASP U 63 60.944 3.137 -13.713 1.00 0.00 H new ATOM 0 HA ASP U 63 61.946 5.741 -13.314 1.00 0.00 H new ATOM 0 HB2 ASP U 63 59.710 4.891 -12.604 1.00 0.00 H new ATOM 0 HB3 ASP U 63 60.486 3.878 -11.402 1.00 0.00 H new ATOM 1501 N TYR U 64 63.569 3.334 -11.870 1.00 0.00 N ATOM 1502 CA TYR U 64 64.727 2.997 -11.052 1.00 0.00 C ATOM 1503 C TYR U 64 65.955 2.720 -11.918 1.00 0.00 C ATOM 1504 O TYR U 64 66.860 2.000 -11.506 1.00 0.00 O ATOM 1505 CB TYR U 64 64.415 1.780 -10.182 1.00 0.00 C ATOM 1506 CG TYR U 64 63.188 1.960 -9.320 1.00 0.00 C ATOM 1507 CD1 TYR U 64 61.916 1.921 -9.874 1.00 0.00 C ATOM 1508 CD2 TYR U 64 63.301 2.171 -7.952 1.00 0.00 C ATOM 1509 CE1 TYR U 64 60.791 2.089 -9.090 1.00 0.00 C ATOM 1510 CE2 TYR U 64 62.181 2.338 -7.161 1.00 0.00 C ATOM 1511 CZ TYR U 64 60.928 2.297 -7.734 1.00 0.00 C ATOM 1512 OH TYR U 64 59.810 2.464 -6.950 1.00 0.00 O ATOM 0 H TYR U 64 63.189 2.553 -12.404 1.00 0.00 H new ATOM 0 HA TYR U 64 64.950 3.851 -10.413 1.00 0.00 H new ATOM 0 HB2 TYR U 64 64.275 0.910 -10.823 1.00 0.00 H new ATOM 0 HB3 TYR U 64 65.272 1.570 -9.542 1.00 0.00 H new ATOM 0 HD1 TYR U 64 61.804 1.757 -10.936 1.00 0.00 H new ATOM 0 HD2 TYR U 64 64.281 2.205 -7.499 1.00 0.00 H new ATOM 0 HE1 TYR U 64 59.809 2.058 -9.537 1.00 0.00 H new ATOM 0 HE2 TYR U 64 62.287 2.500 -6.098 1.00 0.00 H new ATOM 0 HH TYR U 64 60.081 2.599 -6.018 1.00 0.00 H new ATOM 1522 N ARG U 65 65.982 3.305 -13.115 1.00 0.00 N ATOM 1523 CA ARG U 65 67.100 3.132 -14.042 1.00 0.00 C ATOM 1524 C ARG U 65 67.783 1.777 -13.868 1.00 0.00 C ATOM 1525 O ARG U 65 68.966 1.709 -13.534 1.00 0.00 O ATOM 1526 CB ARG U 65 68.122 4.254 -13.843 1.00 0.00 C ATOM 1527 CG ARG U 65 67.662 5.598 -14.384 1.00 0.00 C ATOM 1528 CD ARG U 65 68.839 6.448 -14.838 1.00 0.00 C ATOM 1529 NE ARG U 65 68.575 7.111 -16.111 1.00 0.00 N ATOM 1530 CZ ARG U 65 69.528 7.477 -16.962 1.00 0.00 C ATOM 1531 NH1 ARG U 65 70.800 7.247 -16.674 1.00 0.00 N ATOM 1532 NH2 ARG U 65 69.207 8.073 -18.103 1.00 0.00 N ATOM 0 H ARG U 65 65.237 3.907 -13.467 1.00 0.00 H new ATOM 0 HA ARG U 65 66.696 3.173 -15.054 1.00 0.00 H new ATOM 0 HB2 ARG U 65 68.337 4.354 -12.779 1.00 0.00 H new ATOM 0 HB3 ARG U 65 69.055 3.975 -14.332 1.00 0.00 H new ATOM 0 HG2 ARG U 65 66.981 5.441 -15.220 1.00 0.00 H new ATOM 0 HG3 ARG U 65 67.103 6.130 -13.614 1.00 0.00 H new ATOM 0 HD2 ARG U 65 69.060 7.197 -14.078 1.00 0.00 H new ATOM 0 HD3 ARG U 65 69.725 5.820 -14.933 1.00 0.00 H new ATOM 0 HE ARG U 65 67.605 7.304 -16.362 1.00 0.00 H new ATOM 0 HH11 ARG U 65 71.050 6.788 -15.798 1.00 0.00 H new ATOM 0 HH12 ARG U 65 71.530 7.529 -17.328 1.00 0.00 H new ATOM 0 HH21 ARG U 65 68.228 8.251 -18.328 1.00 0.00 H new ATOM 0 HH22 ARG U 65 69.939 8.354 -18.755 1.00 0.00 H new ATOM 1546 N ILE U 66 67.038 0.701 -14.104 1.00 0.00 N ATOM 1547 CA ILE U 66 67.580 -0.649 -13.978 1.00 0.00 C ATOM 1548 C ILE U 66 68.219 -1.091 -15.290 1.00 0.00 C ATOM 1549 O ILE U 66 67.541 -1.566 -16.202 1.00 0.00 O ATOM 1550 CB ILE U 66 66.481 -1.640 -13.536 1.00 0.00 C ATOM 1551 CG1 ILE U 66 65.629 -0.973 -12.454 1.00 0.00 C ATOM 1552 CG2 ILE U 66 67.077 -2.954 -13.026 1.00 0.00 C ATOM 1553 CD1 ILE U 66 64.786 -1.930 -11.646 1.00 0.00 C ATOM 0 H ILE U 66 66.058 0.737 -14.383 1.00 0.00 H new ATOM 0 HA ILE U 66 68.353 -0.641 -13.209 1.00 0.00 H new ATOM 0 HB ILE U 66 65.860 -1.890 -14.396 1.00 0.00 H new ATOM 0 HG12 ILE U 66 66.286 -0.426 -11.777 1.00 0.00 H new ATOM 0 HG13 ILE U 66 64.974 -0.240 -12.925 1.00 0.00 H new ATOM 0 HG21 ILE U 66 66.273 -3.625 -12.724 1.00 0.00 H new ATOM 0 HG22 ILE U 66 67.661 -3.421 -13.819 1.00 0.00 H new ATOM 0 HG23 ILE U 66 67.722 -2.753 -12.171 1.00 0.00 H new ATOM 0 HD11 ILE U 66 64.215 -1.373 -10.903 1.00 0.00 H new ATOM 0 HD12 ILE U 66 64.101 -2.460 -12.308 1.00 0.00 H new ATOM 0 HD13 ILE U 66 65.433 -2.649 -11.143 1.00 0.00 H new ATOM 1565 N ASP U 67 69.536 -0.910 -15.376 1.00 0.00 N ATOM 1566 CA ASP U 67 70.297 -1.263 -16.573 1.00 0.00 C ATOM 1567 C ASP U 67 70.779 -2.706 -16.514 1.00 0.00 C ATOM 1568 O ASP U 67 70.804 -3.314 -15.448 1.00 0.00 O ATOM 1569 CB ASP U 67 71.504 -0.325 -16.749 1.00 0.00 C ATOM 1570 CG ASP U 67 71.795 0.513 -15.519 1.00 0.00 C ATOM 1571 OD1 ASP U 67 72.459 -0.002 -14.593 1.00 0.00 O ATOM 1572 OD2 ASP U 67 71.359 1.683 -15.479 1.00 0.00 O ATOM 0 H ASP U 67 70.102 -0.517 -14.624 1.00 0.00 H new ATOM 0 HA ASP U 67 69.630 -1.152 -17.428 1.00 0.00 H new ATOM 0 HB2 ASP U 67 72.385 -0.919 -16.992 1.00 0.00 H new ATOM 0 HB3 ASP U 67 71.321 0.336 -17.596 1.00 0.00 H new ATOM 1577 N GLU U 68 71.166 -3.249 -17.666 1.00 0.00 N ATOM 1578 CA GLU U 68 71.656 -4.619 -17.735 1.00 0.00 C ATOM 1579 C GLU U 68 72.989 -4.750 -17.003 1.00 0.00 C ATOM 1580 O GLU U 68 73.239 -5.744 -16.321 1.00 0.00 O ATOM 1581 CB GLU U 68 71.814 -5.057 -19.192 1.00 0.00 C ATOM 1582 CG GLU U 68 72.704 -6.277 -19.367 1.00 0.00 C ATOM 1583 CD GLU U 68 72.937 -6.626 -20.823 1.00 0.00 C ATOM 1584 OE1 GLU U 68 72.573 -5.808 -21.695 1.00 0.00 O ATOM 1585 OE2 GLU U 68 73.483 -7.716 -21.093 1.00 0.00 O ATOM 0 H GLU U 68 71.149 -2.761 -18.561 1.00 0.00 H new ATOM 0 HA GLU U 68 70.926 -5.267 -17.250 1.00 0.00 H new ATOM 0 HB2 GLU U 68 70.829 -5.273 -19.607 1.00 0.00 H new ATOM 0 HB3 GLU U 68 72.228 -4.230 -19.769 1.00 0.00 H new ATOM 0 HG2 GLU U 68 73.664 -6.094 -18.883 1.00 0.00 H new ATOM 0 HG3 GLU U 68 72.249 -7.129 -18.862 1.00 0.00 H new ATOM 1592 N LYS U 69 73.839 -3.736 -17.147 1.00 0.00 N ATOM 1593 CA LYS U 69 75.145 -3.737 -16.495 1.00 0.00 C ATOM 1594 C LYS U 69 74.989 -3.807 -14.978 1.00 0.00 C ATOM 1595 O LYS U 69 75.846 -4.347 -14.280 1.00 0.00 O ATOM 1596 CB LYS U 69 75.940 -2.488 -16.889 1.00 0.00 C ATOM 1597 CG LYS U 69 76.977 -2.746 -17.970 1.00 0.00 C ATOM 1598 CD LYS U 69 76.405 -3.583 -19.101 1.00 0.00 C ATOM 1599 CE LYS U 69 76.911 -3.111 -20.455 1.00 0.00 C ATOM 1600 NZ LYS U 69 76.019 -3.548 -21.565 1.00 0.00 N ATOM 0 H LYS U 69 73.647 -2.906 -17.708 1.00 0.00 H new ATOM 0 HA LYS U 69 75.693 -4.619 -16.827 1.00 0.00 H new ATOM 0 HB2 LYS U 69 75.248 -1.721 -17.236 1.00 0.00 H new ATOM 0 HB3 LYS U 69 76.439 -2.091 -16.005 1.00 0.00 H new ATOM 0 HG2 LYS U 69 77.337 -1.796 -18.365 1.00 0.00 H new ATOM 0 HG3 LYS U 69 77.837 -3.257 -17.537 1.00 0.00 H new ATOM 0 HD2 LYS U 69 76.676 -4.628 -18.954 1.00 0.00 H new ATOM 0 HD3 LYS U 69 75.316 -3.530 -19.080 1.00 0.00 H new ATOM 0 HE2 LYS U 69 76.985 -2.024 -20.456 1.00 0.00 H new ATOM 0 HE3 LYS U 69 77.916 -3.499 -20.622 1.00 0.00 H new ATOM 0 HZ1 LYS U 69 76.399 -3.206 -22.471 1.00 0.00 H new ATOM 0 HZ2 LYS U 69 75.968 -4.587 -21.581 1.00 0.00 H new ATOM 0 HZ3 LYS U 69 75.066 -3.157 -21.419 1.00 0.00 H new ATOM 1614 N ASN U 70 73.879 -3.268 -14.475 1.00 0.00 N ATOM 1615 CA ASN U 70 73.595 -3.280 -13.046 1.00 0.00 C ATOM 1616 C ASN U 70 72.375 -4.148 -12.779 1.00 0.00 C ATOM 1617 O ASN U 70 71.672 -4.525 -13.709 1.00 0.00 O ATOM 1618 CB ASN U 70 73.337 -1.859 -12.548 1.00 0.00 C ATOM 1619 CG ASN U 70 73.749 -1.671 -11.101 1.00 0.00 C ATOM 1620 OD1 ASN U 70 72.871 -2.063 -10.184 1.00 0.00 O flip ATOM 1621 ND2 ASN U 70 74.841 -1.183 -10.811 1.00 0.00 N flip ATOM 0 H ASN U 70 73.161 -2.816 -15.041 1.00 0.00 H new ATOM 0 HA ASN U 70 74.455 -3.688 -12.515 1.00 0.00 H new ATOM 0 HB2 ASN U 70 73.883 -1.153 -13.173 1.00 0.00 H new ATOM 0 HB3 ASN U 70 72.278 -1.626 -12.655 1.00 0.00 H new ATOM 0 HD21 ASN U 70 75.484 -0.896 -11.549 1.00 0.00 H new ATOM 0 HD22 ASN U 70 75.103 -1.065 -9.832 1.00 0.00 H new ATOM 1628 N PHE U 71 72.109 -4.469 -11.519 1.00 0.00 N ATOM 1629 CA PHE U 71 70.948 -5.289 -11.212 1.00 0.00 C ATOM 1630 C PHE U 71 70.180 -4.795 -10.002 1.00 0.00 C ATOM 1631 O PHE U 71 70.680 -4.027 -9.181 1.00 0.00 O ATOM 1632 CB PHE U 71 71.325 -6.753 -11.006 1.00 0.00 C ATOM 1633 CG PHE U 71 72.540 -6.965 -10.166 1.00 0.00 C ATOM 1634 CD1 PHE U 71 72.529 -6.658 -8.820 1.00 0.00 C ATOM 1635 CD2 PHE U 71 73.693 -7.484 -10.727 1.00 0.00 C ATOM 1636 CE1 PHE U 71 73.648 -6.863 -8.044 1.00 0.00 C ATOM 1637 CE2 PHE U 71 74.816 -7.692 -9.960 1.00 0.00 C ATOM 1638 CZ PHE U 71 74.797 -7.381 -8.613 1.00 0.00 C ATOM 0 H PHE U 71 72.666 -4.183 -10.714 1.00 0.00 H new ATOM 0 HA PHE U 71 70.298 -5.205 -12.083 1.00 0.00 H new ATOM 0 HB2 PHE U 71 70.484 -7.270 -10.544 1.00 0.00 H new ATOM 0 HB3 PHE U 71 71.487 -7.214 -11.980 1.00 0.00 H new ATOM 0 HD1 PHE U 71 71.634 -6.253 -8.371 1.00 0.00 H new ATOM 0 HD2 PHE U 71 73.712 -7.729 -11.779 1.00 0.00 H new ATOM 0 HE1 PHE U 71 73.628 -6.619 -6.992 1.00 0.00 H new ATOM 0 HE2 PHE U 71 75.711 -8.097 -10.409 1.00 0.00 H new ATOM 0 HZ PHE U 71 75.677 -7.542 -8.007 1.00 0.00 H new ATOM 1648 N VAL U 72 68.950 -5.270 -9.922 1.00 0.00 N ATOM 1649 CA VAL U 72 68.038 -4.940 -8.853 1.00 0.00 C ATOM 1650 C VAL U 72 67.658 -6.211 -8.094 1.00 0.00 C ATOM 1651 O VAL U 72 67.111 -7.143 -8.679 1.00 0.00 O ATOM 1652 CB VAL U 72 66.777 -4.262 -9.443 1.00 0.00 C ATOM 1653 CG1 VAL U 72 65.576 -5.183 -9.451 1.00 0.00 C ATOM 1654 CG2 VAL U 72 66.436 -2.993 -8.704 1.00 0.00 C ATOM 0 H VAL U 72 68.554 -5.907 -10.613 1.00 0.00 H new ATOM 0 HA VAL U 72 68.517 -4.249 -8.159 1.00 0.00 H new ATOM 0 HB VAL U 72 67.022 -4.018 -10.477 1.00 0.00 H new ATOM 0 HG11 VAL U 72 64.719 -4.659 -9.874 1.00 0.00 H new ATOM 0 HG12 VAL U 72 65.797 -6.064 -10.054 1.00 0.00 H new ATOM 0 HG13 VAL U 72 65.346 -5.490 -8.431 1.00 0.00 H new ATOM 0 HG21 VAL U 72 65.546 -2.543 -9.144 1.00 0.00 H new ATOM 0 HG22 VAL U 72 66.246 -3.222 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL U 72 67.269 -2.294 -8.777 1.00 0.00 H new ATOM 1664 N VAL U 73 67.948 -6.257 -6.807 1.00 0.00 N ATOM 1665 CA VAL U 73 67.623 -7.429 -6.017 1.00 0.00 C ATOM 1666 C VAL U 73 66.110 -7.641 -5.976 1.00 0.00 C ATOM 1667 O VAL U 73 65.350 -6.728 -5.656 1.00 0.00 O ATOM 1668 CB VAL U 73 68.205 -7.319 -4.585 1.00 0.00 C ATOM 1669 CG1 VAL U 73 67.207 -7.783 -3.527 1.00 0.00 C ATOM 1670 CG2 VAL U 73 69.497 -8.116 -4.484 1.00 0.00 C ATOM 0 H VAL U 73 68.403 -5.504 -6.291 1.00 0.00 H new ATOM 0 HA VAL U 73 68.080 -8.296 -6.493 1.00 0.00 H new ATOM 0 HB VAL U 73 68.416 -6.267 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL U 73 67.655 -7.689 -2.538 1.00 0.00 H new ATOM 0 HG12 VAL U 73 66.309 -7.167 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL U 73 66.943 -8.825 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL U 73 69.898 -8.032 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL U 73 69.297 -9.164 -4.709 1.00 0.00 H new ATOM 0 HG23 VAL U 73 70.223 -7.724 -5.196 1.00 0.00 H new ATOM 1680 N VAL U 74 65.689 -8.854 -6.299 1.00 0.00 N ATOM 1681 CA VAL U 74 64.268 -9.200 -6.299 1.00 0.00 C ATOM 1682 C VAL U 74 63.847 -9.745 -4.922 1.00 0.00 C ATOM 1683 O VAL U 74 64.010 -10.932 -4.640 1.00 0.00 O ATOM 1684 CB VAL U 74 63.938 -10.237 -7.413 1.00 0.00 C ATOM 1685 CG1 VAL U 74 65.176 -11.028 -7.803 1.00 0.00 C ATOM 1686 CG2 VAL U 74 62.818 -11.184 -6.995 1.00 0.00 C ATOM 0 H VAL U 74 66.309 -9.619 -6.565 1.00 0.00 H new ATOM 0 HA VAL U 74 63.704 -8.291 -6.507 1.00 0.00 H new ATOM 0 HB VAL U 74 63.592 -9.674 -8.280 1.00 0.00 H new ATOM 0 HG11 VAL U 74 64.919 -11.745 -8.582 1.00 0.00 H new ATOM 0 HG12 VAL U 74 65.941 -10.346 -8.175 1.00 0.00 H new ATOM 0 HG13 VAL U 74 65.557 -11.560 -6.932 1.00 0.00 H new ATOM 0 HG21 VAL U 74 62.619 -11.891 -7.801 1.00 0.00 H new ATOM 0 HG22 VAL U 74 63.117 -11.729 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL U 74 61.915 -10.610 -6.785 1.00 0.00 H new ATOM 1696 N MET U 75 63.317 -8.866 -4.071 1.00 0.00 N ATOM 1697 CA MET U 75 62.881 -9.238 -2.726 1.00 0.00 C ATOM 1698 C MET U 75 61.379 -9.527 -2.693 1.00 0.00 C ATOM 1699 O MET U 75 60.588 -8.772 -3.256 1.00 0.00 O ATOM 1700 CB MET U 75 63.237 -8.103 -1.747 1.00 0.00 C ATOM 1701 CG MET U 75 62.036 -7.398 -1.122 1.00 0.00 C ATOM 1702 SD MET U 75 62.460 -6.394 0.321 1.00 0.00 S ATOM 1703 CE MET U 75 64.245 -6.289 0.191 1.00 0.00 C ATOM 0 H MET U 75 63.178 -7.880 -4.294 1.00 0.00 H new ATOM 0 HA MET U 75 63.396 -10.151 -2.427 1.00 0.00 H new ATOM 0 HB2 MET U 75 63.857 -8.511 -0.949 1.00 0.00 H new ATOM 0 HB3 MET U 75 63.841 -7.364 -2.273 1.00 0.00 H new ATOM 0 HG2 MET U 75 61.567 -6.762 -1.873 1.00 0.00 H new ATOM 0 HG3 MET U 75 61.297 -8.145 -0.831 1.00 0.00 H new ATOM 0 HE1 MET U 75 64.698 -6.622 1.125 1.00 0.00 H new ATOM 0 HE2 MET U 75 64.588 -6.924 -0.626 1.00 0.00 H new ATOM 0 HE3 MET U 75 64.535 -5.257 -0.005 1.00 0.00 H new ATOM 1713 N VAL U 76 60.988 -10.608 -2.020 1.00 0.00 N ATOM 1714 CA VAL U 76 59.575 -10.964 -1.917 1.00 0.00 C ATOM 1715 C VAL U 76 59.242 -11.594 -0.570 1.00 0.00 C ATOM 1716 O VAL U 76 60.123 -12.082 0.139 1.00 0.00 O ATOM 1717 CB VAL U 76 59.147 -11.932 -3.036 1.00 0.00 C ATOM 1718 CG1 VAL U 76 57.660 -12.242 -2.930 1.00 0.00 C ATOM 1719 CG2 VAL U 76 59.481 -11.347 -4.398 1.00 0.00 C ATOM 0 H VAL U 76 61.624 -11.247 -1.542 1.00 0.00 H new ATOM 0 HA VAL U 76 59.024 -10.029 -2.019 1.00 0.00 H new ATOM 0 HB VAL U 76 59.699 -12.865 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL U 76 57.373 -12.927 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL U 76 57.452 -12.702 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL U 76 57.088 -11.319 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL U 76 59.173 -12.043 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL U 76 58.955 -10.401 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL U 76 60.555 -11.177 -4.467 1.00 0.00 H new