USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 330 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 Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 423 MET CE :methyl -132:sc= 0 (180deg=-0.903) USER MOD Single : A 433 MET CE :methyl -118:sc= -0.0959 (180deg=-1.06) USER MOD Single : A 434 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 436 GLN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.0295 X(o=-0.029,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.16) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 477 HIS : no HD1:sc= -0.0096 X(o=-0.0096,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.00277 USER MOD Single : A 484 GLN : amide:sc= 0.359 X(o=0.36,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 19.264 -53.746 -19.627 1.00 25.00 N ATOM 114 CA GLU A 419 17.980 -53.911 -20.311 1.00 25.00 C ATOM 115 C GLU A 419 16.990 -52.900 -19.753 1.00 25.00 C ATOM 116 O GLU A 419 16.164 -52.364 -20.468 1.00 25.00 O ATOM 117 CB GLU A 419 17.428 -55.327 -20.096 1.00 25.00 C ATOM 118 CG GLU A 419 18.411 -56.446 -20.438 1.00 25.00 C ATOM 119 CD GLU A 419 17.912 -57.354 -21.544 1.00 25.00 C ATOM 120 OE1 GLU A 419 17.670 -58.549 -21.255 1.00 25.00 O ATOM 121 OE2 GLU A 419 17.771 -56.891 -22.689 1.00 25.00 O ATOM 0 HA GLU A 419 18.126 -53.752 -21.379 1.00 25.00 H new ATOM 0 HB2 GLU A 419 17.125 -55.432 -19.054 1.00 25.00 H new ATOM 0 HB3 GLU A 419 16.531 -55.450 -20.702 1.00 25.00 H new ATOM 0 HG2 GLU A 419 19.363 -56.007 -20.737 1.00 25.00 H new ATOM 0 HG3 GLU A 419 18.601 -57.041 -19.545 1.00 25.00 H new ATOM 128 N VAL A 420 17.095 -52.636 -18.458 1.00 25.00 N ATOM 129 CA VAL A 420 16.228 -51.663 -17.792 1.00 25.00 C ATOM 130 C VAL A 420 16.586 -50.259 -18.272 1.00 25.00 C ATOM 131 O VAL A 420 15.723 -49.404 -18.444 1.00 25.00 O ATOM 132 CB VAL A 420 16.375 -51.755 -16.245 1.00 25.00 C ATOM 133 CG1 VAL A 420 15.395 -50.810 -15.540 1.00 25.00 C ATOM 134 CG2 VAL A 420 16.117 -53.194 -15.778 1.00 25.00 C ATOM 0 H VAL A 420 17.774 -53.082 -17.842 1.00 25.00 H new ATOM 0 HA VAL A 420 15.191 -51.884 -18.044 1.00 25.00 H new ATOM 0 HB VAL A 420 17.392 -51.459 -15.986 1.00 25.00 H new ATOM 0 HG11 VAL A 420 15.520 -50.895 -14.461 1.00 25.00 H new ATOM 0 HG12 VAL A 420 15.594 -49.784 -15.848 1.00 25.00 H new ATOM 0 HG13 VAL A 420 14.373 -51.078 -15.809 1.00 25.00 H new ATOM 0 HG21 VAL A 420 16.222 -53.249 -14.694 1.00 25.00 H new ATOM 0 HG22 VAL A 420 15.108 -53.493 -16.060 1.00 25.00 H new ATOM 0 HG23 VAL A 420 16.838 -53.864 -16.247 1.00 25.00 H new ATOM 144 N SER A 421 17.868 -50.027 -18.504 1.00 25.00 N ATOM 145 CA SER A 421 18.328 -48.728 -18.979 1.00 25.00 C ATOM 146 C SER A 421 17.836 -48.478 -20.400 1.00 25.00 C ATOM 147 O SER A 421 17.431 -47.369 -20.741 1.00 25.00 O ATOM 148 CB SER A 421 19.850 -48.668 -18.950 1.00 25.00 C ATOM 149 OG SER A 421 20.341 -48.929 -17.641 1.00 25.00 O ATOM 0 H SER A 421 18.608 -50.717 -18.372 1.00 25.00 H new ATOM 0 HA SER A 421 17.924 -47.958 -18.322 1.00 25.00 H new ATOM 0 HB2 SER A 421 20.261 -49.397 -19.649 1.00 25.00 H new ATOM 0 HB3 SER A 421 20.186 -47.685 -19.280 1.00 25.00 H new ATOM 0 HG SER A 421 21.320 -48.887 -17.645 1.00 25.00 H new ATOM 155 N ASP A 422 17.860 -49.515 -21.222 1.00 25.00 N ATOM 156 CA ASP A 422 17.384 -49.405 -22.597 1.00 25.00 C ATOM 157 C ASP A 422 15.868 -49.266 -22.595 1.00 25.00 C ATOM 158 O ASP A 422 15.297 -48.580 -23.432 1.00 25.00 O ATOM 159 CB ASP A 422 17.803 -50.632 -23.414 1.00 25.00 C ATOM 160 CG ASP A 422 19.298 -50.655 -23.707 1.00 25.00 C ATOM 161 OD1 ASP A 422 19.917 -51.736 -23.595 1.00 25.00 O ATOM 162 OD2 ASP A 422 19.853 -49.591 -24.062 1.00 25.00 O ATOM 0 H ASP A 422 18.202 -50.441 -20.965 1.00 25.00 H new ATOM 0 HA ASP A 422 17.829 -48.523 -23.058 1.00 25.00 H new ATOM 0 HB2 ASP A 422 17.528 -51.537 -22.872 1.00 25.00 H new ATOM 0 HB3 ASP A 422 17.252 -50.644 -24.354 1.00 25.00 H new ATOM 167 N MET A 423 15.213 -49.902 -21.635 1.00 25.00 N ATOM 168 CA MET A 423 13.754 -49.808 -21.514 1.00 25.00 C ATOM 169 C MET A 423 13.351 -48.377 -21.201 1.00 25.00 C ATOM 170 O MET A 423 12.334 -47.897 -21.677 1.00 25.00 O ATOM 171 CB MET A 423 13.228 -50.730 -20.411 1.00 25.00 C ATOM 172 CG MET A 423 12.398 -51.885 -20.946 1.00 25.00 C ATOM 173 SD MET A 423 11.825 -53.015 -19.644 1.00 25.00 S ATOM 174 CE MET A 423 13.320 -53.974 -19.299 1.00 25.00 C ATOM 0 H MET A 423 15.660 -50.487 -20.929 1.00 25.00 H new ATOM 0 HA MET A 423 13.320 -50.118 -22.464 1.00 25.00 H new ATOM 0 HB2 MET A 423 14.071 -51.127 -19.845 1.00 25.00 H new ATOM 0 HB3 MET A 423 12.624 -50.147 -19.716 1.00 25.00 H new ATOM 0 HG2 MET A 423 11.535 -51.487 -21.479 1.00 25.00 H new ATOM 0 HG3 MET A 423 12.990 -52.445 -21.670 1.00 25.00 H new ATOM 0 HE1 MET A 423 13.076 -55.036 -19.285 1.00 25.00 H new ATOM 0 HE2 MET A 423 14.062 -53.782 -20.074 1.00 25.00 H new ATOM 0 HE3 MET A 423 13.724 -53.682 -18.330 1.00 25.00 H new ATOM 184 N ALA A 424 14.163 -47.691 -20.415 1.00 25.00 N ATOM 185 CA ALA A 424 13.883 -46.305 -20.061 1.00 25.00 C ATOM 186 C ALA A 424 13.970 -45.417 -21.309 1.00 25.00 C ATOM 187 O ALA A 424 13.261 -44.417 -21.425 1.00 25.00 O ATOM 188 CB ALA A 424 14.865 -45.828 -18.986 1.00 25.00 C ATOM 0 H ALA A 424 15.020 -48.067 -20.009 1.00 25.00 H new ATOM 0 HA ALA A 424 12.873 -46.236 -19.658 1.00 25.00 H new ATOM 0 HB1 ALA A 424 14.647 -44.791 -18.729 1.00 25.00 H new ATOM 0 HB2 ALA A 424 14.763 -46.452 -18.098 1.00 25.00 H new ATOM 0 HB3 ALA A 424 15.884 -45.901 -19.366 1.00 25.00 H new ATOM 194 N ALA A 425 14.828 -45.787 -22.250 1.00 25.00 N ATOM 195 CA ALA A 425 14.946 -45.041 -23.500 1.00 25.00 C ATOM 196 C ALA A 425 13.681 -45.265 -24.339 1.00 25.00 C ATOM 197 O ALA A 425 13.191 -44.344 -24.995 1.00 25.00 O ATOM 198 CB ALA A 425 16.201 -45.481 -24.271 1.00 25.00 C ATOM 0 H ALA A 425 15.449 -46.593 -22.175 1.00 25.00 H new ATOM 0 HA ALA A 425 15.046 -43.978 -23.283 1.00 25.00 H new ATOM 0 HB1 ALA A 425 16.274 -44.916 -25.200 1.00 25.00 H new ATOM 0 HB2 ALA A 425 17.086 -45.295 -23.662 1.00 25.00 H new ATOM 0 HB3 ALA A 425 16.134 -46.545 -24.498 1.00 25.00 H new ATOM 204 N VAL A 426 13.148 -46.480 -24.305 1.00 25.00 N ATOM 205 CA VAL A 426 11.909 -46.789 -25.017 1.00 25.00 C ATOM 206 C VAL A 426 10.781 -45.985 -24.384 1.00 25.00 C ATOM 207 O VAL A 426 9.990 -45.368 -25.085 1.00 25.00 O ATOM 208 CB VAL A 426 11.562 -48.311 -24.956 1.00 25.00 C ATOM 209 CG1 VAL A 426 10.246 -48.599 -25.681 1.00 25.00 C ATOM 210 CG2 VAL A 426 12.685 -49.143 -25.583 1.00 25.00 C ATOM 0 H VAL A 426 13.550 -47.266 -23.795 1.00 25.00 H new ATOM 0 HA VAL A 426 12.038 -46.527 -26.067 1.00 25.00 H new ATOM 0 HB VAL A 426 11.454 -48.587 -23.907 1.00 25.00 H new ATOM 0 HG11 VAL A 426 10.025 -49.665 -25.625 1.00 25.00 H new ATOM 0 HG12 VAL A 426 9.440 -48.037 -25.209 1.00 25.00 H new ATOM 0 HG13 VAL A 426 10.333 -48.301 -26.726 1.00 25.00 H new ATOM 0 HG21 VAL A 426 12.426 -50.201 -25.532 1.00 25.00 H new ATOM 0 HG22 VAL A 426 12.815 -48.851 -26.625 1.00 25.00 H new ATOM 0 HG23 VAL A 426 13.613 -48.970 -25.039 1.00 25.00 H new ATOM 220 N GLU A 427 10.719 -45.972 -23.059 1.00 25.00 N ATOM 221 CA GLU A 427 9.688 -45.224 -22.350 1.00 25.00 C ATOM 222 C GLU A 427 9.747 -43.755 -22.733 1.00 25.00 C ATOM 223 O GLU A 427 8.721 -43.141 -22.974 1.00 25.00 O ATOM 224 CB GLU A 427 9.864 -45.352 -20.836 1.00 25.00 C ATOM 225 CG GLU A 427 9.411 -46.684 -20.260 1.00 25.00 C ATOM 226 CD GLU A 427 9.573 -46.730 -18.745 1.00 25.00 C ATOM 227 OE1 GLU A 427 8.942 -45.898 -18.052 1.00 25.00 O ATOM 228 OE2 GLU A 427 10.318 -47.600 -18.245 1.00 25.00 O ATOM 0 H GLU A 427 11.370 -46.471 -22.453 1.00 25.00 H new ATOM 0 HA GLU A 427 8.721 -45.640 -22.632 1.00 25.00 H new ATOM 0 HB2 GLU A 427 10.916 -45.203 -20.591 1.00 25.00 H new ATOM 0 HB3 GLU A 427 9.307 -44.551 -20.349 1.00 25.00 H new ATOM 0 HG2 GLU A 427 8.366 -46.856 -20.519 1.00 25.00 H new ATOM 0 HG3 GLU A 427 9.988 -47.491 -20.712 1.00 25.00 H new ATOM 235 N ALA A 428 10.944 -43.189 -22.804 1.00 25.00 N ATOM 236 CA ALA A 428 11.098 -41.785 -23.175 1.00 25.00 C ATOM 237 C ALA A 428 10.528 -41.518 -24.578 1.00 25.00 C ATOM 238 O ALA A 428 9.876 -40.494 -24.804 1.00 25.00 O ATOM 239 CB ALA A 428 12.576 -41.384 -23.109 1.00 25.00 C ATOM 0 H ALA A 428 11.820 -43.675 -22.611 1.00 25.00 H new ATOM 0 HA ALA A 428 10.535 -41.178 -22.466 1.00 25.00 H new ATOM 0 HB1 ALA A 428 12.681 -40.335 -23.387 1.00 25.00 H new ATOM 0 HB2 ALA A 428 12.947 -41.529 -22.095 1.00 25.00 H new ATOM 0 HB3 ALA A 428 13.152 -42.002 -23.798 1.00 25.00 H new ATOM 245 N ALA A 429 10.766 -42.441 -25.501 1.00 25.00 N ATOM 246 CA ALA A 429 10.271 -42.305 -26.869 1.00 25.00 C ATOM 247 C ALA A 429 8.739 -42.366 -26.902 1.00 25.00 C ATOM 248 O ALA A 429 8.093 -41.595 -27.608 1.00 25.00 O ATOM 249 CB ALA A 429 10.872 -43.406 -27.754 1.00 25.00 C ATOM 0 H ALA A 429 11.299 -43.293 -25.329 1.00 25.00 H new ATOM 0 HA ALA A 429 10.578 -41.333 -27.256 1.00 25.00 H new ATOM 0 HB1 ALA A 429 10.499 -43.299 -28.772 1.00 25.00 H new ATOM 0 HB2 ALA A 429 11.959 -43.320 -27.755 1.00 25.00 H new ATOM 0 HB3 ALA A 429 10.586 -44.383 -27.364 1.00 25.00 H new ATOM 255 N GLU A 430 8.150 -43.271 -26.136 1.00 25.00 N ATOM 256 CA GLU A 430 6.691 -43.386 -26.097 1.00 25.00 C ATOM 257 C GLU A 430 6.095 -42.158 -25.465 1.00 25.00 C ATOM 258 O GLU A 430 5.095 -41.601 -25.919 1.00 25.00 O ATOM 259 CB GLU A 430 6.254 -44.591 -25.274 1.00 25.00 C ATOM 260 CG GLU A 430 6.727 -45.870 -25.849 1.00 25.00 C ATOM 261 CD GLU A 430 5.957 -47.065 -25.321 1.00 25.00 C ATOM 262 OE1 GLU A 430 5.567 -47.044 -24.136 1.00 25.00 O ATOM 263 OE2 GLU A 430 5.739 -48.040 -26.073 1.00 25.00 O ATOM 0 H GLU A 430 8.647 -43.931 -25.538 1.00 25.00 H new ATOM 0 HA GLU A 430 6.346 -43.500 -27.125 1.00 25.00 H new ATOM 0 HB2 GLU A 430 6.634 -44.490 -24.258 1.00 25.00 H new ATOM 0 HB3 GLU A 430 5.166 -44.606 -25.207 1.00 25.00 H new ATOM 0 HG2 GLU A 430 6.634 -45.833 -26.934 1.00 25.00 H new ATOM 0 HG3 GLU A 430 7.786 -45.996 -25.624 1.00 25.00 H new ATOM 270 N LEU A 431 6.730 -41.737 -24.396 1.00 25.00 N ATOM 271 CA LEU A 431 6.280 -40.567 -23.661 1.00 25.00 C ATOM 272 C LEU A 431 6.246 -39.353 -24.572 1.00 25.00 C ATOM 273 O LEU A 431 5.259 -38.626 -24.571 1.00 25.00 O ATOM 274 CB LEU A 431 7.178 -40.293 -22.451 1.00 25.00 C ATOM 275 CG LEU A 431 6.894 -41.152 -21.205 1.00 25.00 C ATOM 276 CD1 LEU A 431 8.044 -41.008 -20.208 1.00 25.00 C ATOM 277 CD2 LEU A 431 5.576 -40.743 -20.532 1.00 25.00 C ATOM 0 H LEU A 431 7.562 -42.185 -24.012 1.00 25.00 H new ATOM 0 HA LEU A 431 5.272 -40.767 -23.297 1.00 25.00 H new ATOM 0 HB2 LEU A 431 8.215 -40.447 -22.748 1.00 25.00 H new ATOM 0 HB3 LEU A 431 7.078 -39.243 -22.177 1.00 25.00 H new ATOM 0 HG LEU A 431 6.806 -42.191 -21.523 1.00 25.00 H new ATOM 0 HD11 LEU A 431 7.840 -41.617 -19.327 1.00 25.00 H new ATOM 0 HD12 LEU A 431 8.972 -41.341 -20.673 1.00 25.00 H new ATOM 0 HD13 LEU A 431 8.141 -39.963 -19.912 1.00 25.00 H new ATOM 0 HD21 LEU A 431 5.405 -41.369 -19.656 1.00 25.00 H new ATOM 0 HD22 LEU A 431 5.632 -39.698 -20.226 1.00 25.00 H new ATOM 0 HD23 LEU A 431 4.753 -40.871 -21.235 1.00 25.00 H new ATOM 289 N GLU A 432 7.294 -39.114 -25.351 1.00 25.00 N ATOM 290 CA GLU A 432 7.290 -37.961 -26.253 1.00 25.00 C ATOM 291 C GLU A 432 6.380 -38.143 -27.475 1.00 25.00 C ATOM 292 O GLU A 432 5.769 -37.166 -27.933 1.00 25.00 O ATOM 293 CB GLU A 432 8.709 -37.544 -26.671 1.00 25.00 C ATOM 294 CG GLU A 432 9.404 -38.443 -27.685 1.00 25.00 C ATOM 295 CD GLU A 432 10.774 -37.908 -28.079 1.00 25.00 C ATOM 296 OE1 GLU A 432 11.196 -36.867 -27.523 1.00 25.00 O ATOM 297 OE2 GLU A 432 11.424 -38.521 -28.951 1.00 25.00 O ATOM 0 H GLU A 432 8.139 -39.685 -25.380 1.00 25.00 H new ATOM 0 HA GLU A 432 6.862 -37.145 -25.671 1.00 25.00 H new ATOM 0 HB2 GLU A 432 8.662 -36.536 -27.083 1.00 25.00 H new ATOM 0 HB3 GLU A 432 9.329 -37.494 -25.776 1.00 25.00 H new ATOM 0 HG2 GLU A 432 9.512 -39.444 -27.267 1.00 25.00 H new ATOM 0 HG3 GLU A 432 8.781 -38.535 -28.575 1.00 25.00 H new ATOM 304 N MET A 433 6.258 -39.357 -28.010 1.00 25.00 N ATOM 305 CA MET A 433 5.402 -39.559 -29.184 1.00 25.00 C ATOM 306 C MET A 433 3.959 -39.322 -28.823 1.00 25.00 C ATOM 307 O MET A 433 3.172 -38.852 -29.639 1.00 25.00 O ATOM 308 CB MET A 433 5.551 -40.952 -29.820 1.00 25.00 C ATOM 309 CG MET A 433 4.886 -42.116 -29.120 1.00 25.00 C ATOM 310 SD MET A 433 5.078 -43.660 -30.060 1.00 25.00 S ATOM 311 CE MET A 433 6.873 -44.030 -29.889 1.00 25.00 C ATOM 0 H MET A 433 6.725 -40.195 -27.664 1.00 25.00 H new ATOM 0 HA MET A 433 5.732 -38.834 -29.928 1.00 25.00 H new ATOM 0 HB2 MET A 433 5.158 -40.902 -30.835 1.00 25.00 H new ATOM 0 HB3 MET A 433 6.615 -41.172 -29.901 1.00 25.00 H new ATOM 0 HG2 MET A 433 5.317 -42.238 -28.126 1.00 25.00 H new ATOM 0 HG3 MET A 433 3.826 -41.902 -28.983 1.00 25.00 H new ATOM 0 HE1 MET A 433 7.341 -44.022 -30.873 1.00 25.00 H new ATOM 0 HE2 MET A 433 7.342 -43.275 -29.258 1.00 25.00 H new ATOM 0 HE3 MET A 433 7.000 -45.012 -29.434 1.00 25.00 H new ATOM 321 N THR A 434 3.605 -39.636 -27.589 1.00 25.00 N ATOM 322 CA THR A 434 2.240 -39.461 -27.155 1.00 25.00 C ATOM 323 C THR A 434 1.902 -37.970 -27.116 1.00 25.00 C ATOM 324 O THR A 434 0.785 -37.569 -27.416 1.00 25.00 O ATOM 325 CB THR A 434 1.999 -40.118 -25.782 1.00 25.00 C ATOM 326 OG1 THR A 434 2.426 -41.482 -25.828 1.00 25.00 O ATOM 327 CG2 THR A 434 0.540 -40.132 -25.444 1.00 25.00 C ATOM 0 H THR A 434 4.238 -40.008 -26.882 1.00 25.00 H new ATOM 0 HA THR A 434 1.581 -39.956 -27.868 1.00 25.00 H new ATOM 0 HB THR A 434 2.553 -39.545 -25.038 1.00 25.00 H new ATOM 0 HG1 THR A 434 3.394 -41.517 -25.975 1.00 25.00 H new ATOM 0 HG21 THR A 434 0.397 -40.601 -24.470 1.00 25.00 H new ATOM 0 HG22 THR A 434 0.164 -39.109 -25.413 1.00 25.00 H new ATOM 0 HG23 THR A 434 -0.004 -40.696 -26.202 1.00 25.00 H new ATOM 335 N ARG A 435 2.872 -37.131 -26.778 1.00 25.00 N ATOM 336 CA ARG A 435 2.619 -35.685 -26.757 1.00 25.00 C ATOM 337 C ARG A 435 2.400 -35.226 -28.183 1.00 25.00 C ATOM 338 O ARG A 435 1.522 -34.423 -28.456 1.00 25.00 O ATOM 339 CB ARG A 435 3.791 -34.904 -26.148 1.00 25.00 C ATOM 340 CG ARG A 435 4.317 -35.517 -24.882 1.00 25.00 C ATOM 341 CD ARG A 435 5.369 -34.660 -24.202 1.00 25.00 C ATOM 342 NE ARG A 435 6.239 -35.485 -23.342 1.00 25.00 N ATOM 343 CZ ARG A 435 5.932 -35.935 -22.128 1.00 25.00 C ATOM 344 NH1 ARG A 435 4.783 -35.680 -21.549 1.00 25.00 N ATOM 345 NH2 ARG A 435 6.805 -36.657 -21.484 1.00 25.00 N ATOM 0 H ARG A 435 3.819 -37.410 -26.520 1.00 25.00 H new ATOM 0 HA ARG A 435 1.743 -35.494 -26.138 1.00 25.00 H new ATOM 0 HB2 ARG A 435 4.598 -34.845 -26.878 1.00 25.00 H new ATOM 0 HB3 ARG A 435 3.471 -33.882 -25.944 1.00 25.00 H new ATOM 0 HG2 ARG A 435 3.489 -35.681 -24.193 1.00 25.00 H new ATOM 0 HG3 ARG A 435 4.743 -36.495 -25.108 1.00 25.00 H new ATOM 0 HD2 ARG A 435 5.971 -34.150 -24.954 1.00 25.00 H new ATOM 0 HD3 ARG A 435 4.885 -33.888 -23.604 1.00 25.00 H new ATOM 0 HE ARG A 435 7.157 -35.732 -23.711 1.00 25.00 H new ATOM 0 HH11 ARG A 435 4.083 -35.116 -22.031 1.00 25.00 H new ATOM 0 HH12 ARG A 435 4.590 -36.045 -20.617 1.00 25.00 H new ATOM 0 HH21 ARG A 435 7.707 -36.869 -21.912 1.00 25.00 H new ATOM 0 HH22 ARG A 435 6.587 -37.010 -20.552 1.00 25.00 H new ATOM 359 N GLN A 436 3.202 -35.755 -29.093 1.00 25.00 N ATOM 360 CA GLN A 436 3.107 -35.364 -30.491 1.00 25.00 C ATOM 361 C GLN A 436 1.738 -35.686 -31.079 1.00 25.00 C ATOM 362 O GLN A 436 1.153 -34.856 -31.758 1.00 25.00 O ATOM 363 CB GLN A 436 4.203 -36.016 -31.307 1.00 25.00 C ATOM 364 CG GLN A 436 5.462 -35.194 -31.260 1.00 25.00 C ATOM 365 CD GLN A 436 6.663 -36.006 -31.569 1.00 25.00 C ATOM 366 OE1 GLN A 436 7.091 -36.108 -32.704 1.00 25.00 O ATOM 367 NE2 GLN A 436 7.213 -36.602 -30.562 1.00 25.00 N ATOM 0 H GLN A 436 3.920 -36.451 -28.892 1.00 25.00 H new ATOM 0 HA GLN A 436 3.236 -34.283 -30.534 1.00 25.00 H new ATOM 0 HB2 GLN A 436 4.402 -37.017 -30.924 1.00 25.00 H new ATOM 0 HB3 GLN A 436 3.875 -36.129 -32.340 1.00 25.00 H new ATOM 0 HG2 GLN A 436 5.386 -34.372 -31.972 1.00 25.00 H new ATOM 0 HG3 GLN A 436 5.569 -34.749 -30.271 1.00 25.00 H new ATOM 0 HE21 GLN A 436 6.822 -36.489 -29.627 1.00 25.00 H new ATOM 0 HE22 GLN A 436 8.038 -37.185 -30.703 1.00 25.00 H new ATOM 376 N VAL A 437 1.216 -36.878 -30.815 1.00 25.00 N ATOM 377 CA VAL A 437 -0.088 -37.262 -31.367 1.00 25.00 C ATOM 378 C VAL A 437 -1.254 -36.513 -30.725 1.00 25.00 C ATOM 379 O VAL A 437 -2.217 -36.169 -31.399 1.00 25.00 O ATOM 380 CB VAL A 437 -0.339 -38.801 -31.277 1.00 25.00 C ATOM 381 CG1 VAL A 437 0.679 -39.551 -32.150 1.00 25.00 C ATOM 382 CG2 VAL A 437 -0.273 -39.329 -29.860 1.00 25.00 C ATOM 0 H VAL A 437 1.662 -37.588 -30.234 1.00 25.00 H new ATOM 0 HA VAL A 437 -0.045 -36.975 -32.418 1.00 25.00 H new ATOM 0 HB VAL A 437 -1.352 -38.974 -31.640 1.00 25.00 H new ATOM 0 HG11 VAL A 437 0.497 -40.623 -32.081 1.00 25.00 H new ATOM 0 HG12 VAL A 437 0.575 -39.231 -33.187 1.00 25.00 H new ATOM 0 HG13 VAL A 437 1.688 -39.331 -31.802 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -0.456 -40.404 -29.863 1.00 25.00 H new ATOM 0 HG22 VAL A 437 0.714 -39.130 -29.443 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -1.030 -38.834 -29.252 1.00 25.00 H new ATOM 392 N LEU A 438 -1.167 -36.248 -29.432 1.00 25.00 N ATOM 393 CA LEU A 438 -2.229 -35.522 -28.726 1.00 25.00 C ATOM 394 C LEU A 438 -2.336 -34.071 -29.183 1.00 25.00 C ATOM 395 O LEU A 438 -3.417 -33.492 -29.170 1.00 25.00 O ATOM 396 CB LEU A 438 -1.989 -35.552 -27.213 1.00 25.00 C ATOM 397 CG LEU A 438 -2.255 -36.892 -26.505 1.00 25.00 C ATOM 398 CD1 LEU A 438 -1.782 -36.798 -25.054 1.00 25.00 C ATOM 399 CD2 LEU A 438 -3.738 -37.272 -26.541 1.00 25.00 C ATOM 0 H LEU A 438 -0.378 -36.520 -28.845 1.00 25.00 H new ATOM 0 HA LEU A 438 -3.165 -36.027 -28.965 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -0.954 -35.266 -27.025 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -2.619 -34.791 -26.752 1.00 25.00 H new ATOM 0 HG LEU A 438 -1.703 -37.669 -27.033 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -1.969 -37.745 -24.548 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -0.714 -36.579 -25.033 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -2.325 -36.002 -24.545 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -3.882 -38.224 -26.030 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -4.324 -36.500 -26.042 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -4.065 -37.363 -27.577 1.00 25.00 H new ATOM 720 N ALA A 462 -16.699 -32.744 -45.284 1.00 25.00 N ATOM 721 CA ALA A 462 -15.787 -33.025 -44.188 1.00 25.00 C ATOM 722 C ALA A 462 -16.566 -33.596 -43.002 1.00 25.00 C ATOM 723 O ALA A 462 -16.139 -34.568 -42.397 1.00 25.00 O ATOM 724 CB ALA A 462 -15.044 -31.758 -43.779 1.00 25.00 C ATOM 0 HA ALA A 462 -15.053 -33.761 -44.515 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -14.365 -31.984 -42.957 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -14.474 -31.381 -44.628 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -15.762 -31.003 -43.459 1.00 25.00 H new ATOM 730 N LEU A 463 -17.711 -33.005 -42.677 1.00 25.00 N ATOM 731 CA LEU A 463 -18.521 -33.486 -41.566 1.00 25.00 C ATOM 732 C LEU A 463 -19.061 -34.879 -41.866 1.00 25.00 C ATOM 733 O LEU A 463 -19.113 -35.707 -40.979 1.00 25.00 O ATOM 734 CB LEU A 463 -19.628 -32.476 -41.206 1.00 25.00 C ATOM 735 CG LEU A 463 -21.077 -32.652 -41.705 1.00 25.00 C ATOM 736 CD1 LEU A 463 -21.887 -33.617 -40.834 1.00 25.00 C ATOM 737 CD2 LEU A 463 -21.758 -31.296 -41.701 1.00 25.00 C ATOM 0 H LEU A 463 -18.097 -32.196 -43.165 1.00 25.00 H new ATOM 0 HA LEU A 463 -17.891 -33.573 -40.681 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.672 -32.429 -40.118 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.290 -31.500 -41.553 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.034 -33.076 -42.708 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -22.899 -33.703 -41.231 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.411 -34.597 -40.838 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -21.929 -33.238 -39.813 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -22.784 -31.403 -42.052 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -21.761 -30.893 -40.688 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.219 -30.616 -42.360 1.00 25.00 H new ATOM 749 N GLN A 464 -19.437 -35.169 -43.106 1.00 25.00 N ATOM 750 CA GLN A 464 -19.887 -36.524 -43.439 1.00 25.00 C ATOM 751 C GLN A 464 -18.779 -37.534 -43.167 1.00 25.00 C ATOM 752 O GLN A 464 -19.033 -38.645 -42.700 1.00 25.00 O ATOM 753 CB GLN A 464 -20.339 -36.610 -44.892 1.00 25.00 C ATOM 754 CG GLN A 464 -21.621 -35.856 -45.138 1.00 25.00 C ATOM 755 CD GLN A 464 -22.171 -36.088 -46.511 1.00 25.00 C ATOM 756 OE1 GLN A 464 -21.531 -35.826 -47.525 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.364 -36.591 -46.555 1.00 25.00 N ATOM 0 H GLN A 464 -19.442 -34.507 -43.882 1.00 25.00 H new ATOM 0 HA GLN A 464 -20.741 -36.761 -42.805 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -19.556 -36.212 -45.538 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -20.477 -37.656 -45.166 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.363 -36.157 -44.398 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -21.444 -34.790 -44.997 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -23.864 -36.795 -45.690 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -23.804 -36.783 -47.455 1.00 25.00 H new ATOM 766 N GLY A 465 -17.551 -37.131 -43.434 1.00 25.00 N ATOM 767 CA GLY A 465 -16.410 -37.972 -43.136 1.00 25.00 C ATOM 768 C GLY A 465 -16.260 -38.088 -41.636 1.00 25.00 C ATOM 769 O GLY A 465 -16.063 -39.178 -41.121 1.00 25.00 O ATOM 0 H GLY A 465 -17.320 -36.231 -43.855 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -16.545 -38.959 -43.578 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -15.506 -37.548 -43.573 1.00 25.00 H new ATOM 773 N ALA A 466 -16.377 -36.965 -40.937 1.00 25.00 N ATOM 774 CA ALA A 466 -16.246 -36.914 -39.482 1.00 25.00 C ATOM 775 C ALA A 466 -17.176 -37.911 -38.792 1.00 25.00 C ATOM 776 O ALA A 466 -16.793 -38.555 -37.831 1.00 25.00 O ATOM 777 CB ALA A 466 -16.540 -35.499 -38.978 1.00 25.00 C ATOM 0 H ALA A 466 -16.566 -36.058 -41.364 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.220 -37.187 -39.235 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.440 -35.471 -37.893 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.834 -34.799 -39.426 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.556 -35.217 -39.256 1.00 25.00 H new ATOM 783 N GLN A 467 -18.391 -38.046 -39.293 1.00 25.00 N ATOM 784 CA GLN A 467 -19.351 -38.980 -38.711 1.00 25.00 C ATOM 785 C GLN A 467 -18.890 -40.429 -38.870 1.00 25.00 C ATOM 786 O GLN A 467 -18.987 -41.231 -37.944 1.00 25.00 O ATOM 787 CB GLN A 467 -20.691 -38.834 -39.416 1.00 25.00 C ATOM 788 CG GLN A 467 -21.345 -37.454 -39.285 1.00 25.00 C ATOM 789 CD GLN A 467 -21.663 -37.053 -37.863 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.072 -37.861 -37.048 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.483 -35.789 -37.568 1.00 25.00 N ATOM 0 H GLN A 467 -18.740 -37.525 -40.098 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.437 -38.747 -37.650 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.554 -39.055 -40.474 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.376 -39.583 -39.020 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.682 -36.707 -39.722 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.266 -37.444 -39.868 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.139 -35.143 -38.279 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.687 -35.451 -36.628 1.00 25.00 H new ATOM 800 N ALA A 468 -18.398 -40.767 -40.054 1.00 25.00 N ATOM 801 CA ALA A 468 -17.968 -42.132 -40.335 1.00 25.00 C ATOM 802 C ALA A 468 -16.712 -42.479 -39.530 1.00 25.00 C ATOM 803 O ALA A 468 -16.612 -43.553 -38.935 1.00 25.00 O ATOM 804 CB ALA A 468 -17.704 -42.297 -41.840 1.00 25.00 C ATOM 0 H ALA A 468 -18.286 -40.118 -40.833 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.762 -42.817 -40.038 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.383 -43.319 -42.043 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.618 -42.087 -42.395 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -16.923 -41.603 -42.151 1.00 25.00 H new ATOM 810 N VAL A 469 -15.757 -41.562 -39.508 1.00 25.00 N ATOM 811 CA VAL A 469 -14.507 -41.794 -38.791 1.00 25.00 C ATOM 812 C VAL A 469 -14.736 -41.784 -37.294 1.00 25.00 C ATOM 813 O VAL A 469 -13.984 -42.394 -36.572 1.00 25.00 O ATOM 814 CB VAL A 469 -13.381 -40.789 -39.171 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.162 -40.797 -40.681 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.711 -39.388 -38.705 1.00 25.00 C ATOM 0 H VAL A 469 -15.820 -40.657 -39.973 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.161 -42.781 -39.099 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.466 -41.104 -38.669 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.372 -40.091 -40.938 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -12.872 -41.798 -41.001 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.085 -40.508 -41.184 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -12.904 -38.711 -38.986 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.640 -39.059 -39.171 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.827 -39.383 -37.621 1.00 25.00 H new ATOM 826 N ALA A 470 -15.759 -41.087 -36.816 1.00 25.00 N ATOM 827 CA ALA A 470 -16.040 -41.031 -35.376 1.00 25.00 C ATOM 828 C ALA A 470 -16.210 -42.436 -34.789 1.00 25.00 C ATOM 829 O ALA A 470 -15.809 -42.689 -33.651 1.00 25.00 O ATOM 830 CB ALA A 470 -17.290 -40.188 -35.099 1.00 25.00 C ATOM 0 H ALA A 470 -16.408 -40.554 -37.395 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.185 -40.560 -34.891 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.480 -40.160 -34.026 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.134 -39.174 -35.466 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.147 -40.630 -35.607 1.00 25.00 H new ATOM 836 N ALA A 471 -16.779 -43.351 -35.564 1.00 25.00 N ATOM 837 CA ALA A 471 -16.936 -44.730 -35.112 1.00 25.00 C ATOM 838 C ALA A 471 -15.555 -45.380 -34.949 1.00 25.00 C ATOM 839 O ALA A 471 -15.329 -46.146 -34.022 1.00 25.00 O ATOM 840 CB ALA A 471 -17.792 -45.517 -36.111 1.00 25.00 C ATOM 0 H ALA A 471 -17.137 -43.167 -36.501 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.443 -44.739 -34.147 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.903 -46.545 -35.765 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.775 -45.053 -36.192 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.307 -45.514 -37.087 1.00 25.00 H new ATOM 846 N ALA A 472 -14.636 -45.058 -35.847 1.00 25.00 N ATOM 847 CA ALA A 472 -13.268 -45.561 -35.766 1.00 25.00 C ATOM 848 C ALA A 472 -12.502 -44.876 -34.627 1.00 25.00 C ATOM 849 O ALA A 472 -11.663 -45.490 -33.995 1.00 25.00 O ATOM 850 CB ALA A 472 -12.544 -45.351 -37.105 1.00 25.00 C ATOM 0 H ALA A 472 -14.812 -44.448 -36.645 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.306 -46.629 -35.554 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.525 -45.730 -37.031 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.074 -45.886 -37.893 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.519 -44.287 -37.342 1.00 25.00 H new ATOM 856 N GLN A 473 -12.787 -43.609 -34.367 1.00 25.00 N ATOM 857 CA GLN A 473 -12.100 -42.876 -33.307 1.00 25.00 C ATOM 858 C GLN A 473 -12.481 -43.372 -31.925 1.00 25.00 C ATOM 859 O GLN A 473 -11.624 -43.603 -31.076 1.00 25.00 O ATOM 860 CB GLN A 473 -12.420 -41.377 -33.370 1.00 25.00 C ATOM 861 CG GLN A 473 -11.958 -40.661 -34.632 1.00 25.00 C ATOM 862 CD GLN A 473 -10.458 -40.466 -34.708 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.732 -40.711 -33.763 1.00 25.00 O ATOM 864 NE2 GLN A 473 -9.993 -40.021 -35.846 1.00 25.00 N ATOM 0 H GLN A 473 -13.487 -43.066 -34.872 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.036 -43.046 -33.472 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.498 -41.249 -33.275 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.964 -40.889 -32.509 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.286 -41.230 -35.502 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.445 -39.687 -34.685 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.632 -39.826 -36.617 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -8.991 -39.868 -35.963 1.00 25.00 H new ATOM 873 N ARG A 474 -13.772 -43.553 -31.685 1.00 25.00 N ATOM 874 CA ARG A 474 -14.219 -44.065 -30.384 1.00 25.00 C ATOM 875 C ARG A 474 -13.667 -45.472 -30.182 1.00 25.00 C ATOM 876 O ARG A 474 -13.458 -45.918 -29.061 1.00 25.00 O ATOM 877 CB ARG A 474 -15.752 -44.036 -30.262 1.00 25.00 C ATOM 878 CG ARG A 474 -16.505 -44.951 -31.213 1.00 25.00 C ATOM 879 CD ARG A 474 -18.006 -44.702 -31.149 1.00 25.00 C ATOM 880 NE ARG A 474 -18.565 -45.016 -29.822 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.824 -44.809 -29.453 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.713 -44.279 -30.258 1.00 25.00 N ATOM 883 NH2 ARG A 474 -20.194 -45.132 -28.243 1.00 25.00 N ATOM 0 H ARG A 474 -14.518 -43.360 -32.353 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.834 -43.417 -29.597 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -16.022 -44.303 -29.240 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.092 -43.013 -30.425 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.151 -44.791 -32.231 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.296 -45.991 -30.962 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.210 -43.659 -31.390 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.506 -45.308 -31.905 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.935 -45.425 -29.132 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.447 -44.010 -31.205 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.671 -44.136 -29.937 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.519 -45.538 -27.595 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -21.158 -44.978 -27.946 1.00 25.00 H new ATOM 897 N LEU A 475 -13.418 -46.149 -31.290 1.00 25.00 N ATOM 898 CA LEU A 475 -12.823 -47.475 -31.285 1.00 25.00 C ATOM 899 C LEU A 475 -11.316 -47.420 -30.981 1.00 25.00 C ATOM 900 O LEU A 475 -10.855 -48.126 -30.097 1.00 25.00 O ATOM 901 CB LEU A 475 -13.090 -48.140 -32.646 1.00 25.00 C ATOM 902 CG LEU A 475 -12.033 -49.085 -33.229 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.931 -50.367 -32.395 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.380 -49.443 -34.663 1.00 25.00 C ATOM 0 H LEU A 475 -13.624 -45.793 -32.223 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.279 -48.067 -30.492 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -14.022 -48.699 -32.562 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.259 -47.346 -33.373 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.072 -48.571 -33.206 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.175 -51.023 -32.827 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.651 -50.114 -31.372 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.895 -50.877 -32.392 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.621 -50.114 -35.064 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.352 -49.936 -34.690 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.417 -48.536 -35.266 1.00 25.00 H new ATOM 916 N VAL A 476 -10.545 -46.610 -31.701 1.00 25.00 N ATOM 917 CA VAL A 476 -9.087 -46.588 -31.514 1.00 25.00 C ATOM 918 C VAL A 476 -8.748 -46.140 -30.103 1.00 25.00 C ATOM 919 O VAL A 476 -7.809 -46.640 -29.483 1.00 25.00 O ATOM 920 CB VAL A 476 -8.350 -45.723 -32.594 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.715 -44.262 -32.512 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.834 -45.892 -32.477 1.00 25.00 C ATOM 0 H VAL A 476 -10.894 -45.966 -32.411 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.722 -47.606 -31.652 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.681 -46.087 -33.567 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.177 -43.709 -33.282 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.788 -44.146 -32.665 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.444 -43.874 -31.530 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.341 -45.284 -33.235 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.508 -45.573 -31.487 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.572 -46.940 -32.625 1.00 25.00 H new ATOM 932 N HIS A 477 -9.536 -45.217 -29.582 1.00 25.00 N ATOM 933 CA HIS A 477 -9.345 -44.728 -28.240 1.00 25.00 C ATOM 934 C HIS A 477 -9.523 -45.861 -27.238 1.00 25.00 C ATOM 935 O HIS A 477 -8.827 -45.913 -26.239 1.00 25.00 O ATOM 936 CB HIS A 477 -10.340 -43.610 -27.963 1.00 25.00 C ATOM 937 CG HIS A 477 -10.023 -42.826 -26.729 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.903 -41.994 -26.083 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.872 -42.749 -26.009 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.279 -41.468 -25.030 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.039 -41.898 -24.934 1.00 25.00 N ATOM 0 H HIS A 477 -10.319 -44.791 -30.078 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.333 -44.337 -28.138 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.364 -42.934 -28.818 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.338 -44.037 -27.867 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.959 -43.277 -26.244 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.735 -40.774 -24.340 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.351 -41.656 -24.221 1.00 25.00 H new ATOM 949 N ALA A 478 -10.438 -46.784 -27.509 1.00 25.00 N ATOM 950 CA ALA A 478 -10.666 -47.894 -26.596 1.00 25.00 C ATOM 951 C ALA A 478 -9.393 -48.735 -26.462 1.00 25.00 C ATOM 952 O ALA A 478 -9.011 -49.113 -25.363 1.00 25.00 O ATOM 953 CB ALA A 478 -11.836 -48.754 -27.085 1.00 25.00 C ATOM 0 H ALA A 478 -11.026 -46.786 -28.342 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.922 -47.497 -25.614 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -11.995 -49.580 -26.392 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.739 -48.145 -27.136 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.608 -49.149 -28.075 1.00 25.00 H new ATOM 959 N ILE A 479 -8.731 -49.018 -27.575 1.00 25.00 N ATOM 960 CA ILE A 479 -7.509 -49.826 -27.539 1.00 25.00 C ATOM 961 C ILE A 479 -6.382 -49.029 -26.918 1.00 25.00 C ATOM 962 O ILE A 479 -5.553 -49.583 -26.226 1.00 25.00 O ATOM 963 CB ILE A 479 -7.065 -50.279 -28.943 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.209 -51.002 -29.652 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.845 -51.227 -28.876 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.532 -50.353 -30.918 1.00 25.00 C ATOM 0 H ILE A 479 -9.010 -48.707 -28.505 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.734 -50.712 -26.945 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.785 -49.383 -29.498 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.932 -52.041 -29.832 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.090 -51.014 -29.010 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.560 -51.526 -29.885 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.010 -50.712 -28.401 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.104 -52.112 -28.295 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.349 -50.887 -31.403 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.832 -49.322 -30.732 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.656 -50.364 -31.567 1.00 25.00 H new ATOM 978 N ALA A 480 -6.362 -47.724 -27.145 1.00 25.00 N ATOM 979 CA ALA A 480 -5.323 -46.873 -26.580 1.00 25.00 C ATOM 980 C ALA A 480 -5.347 -46.985 -25.047 1.00 25.00 C ATOM 981 O ALA A 480 -4.333 -46.806 -24.371 1.00 25.00 O ATOM 982 CB ALA A 480 -5.536 -45.418 -27.031 1.00 25.00 C ATOM 0 H ALA A 480 -7.050 -47.232 -27.714 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.346 -47.199 -26.936 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.756 -44.787 -26.605 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.493 -45.364 -28.119 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.511 -45.070 -26.689 1.00 25.00 H new ATOM 988 N LEU A 481 -6.514 -47.295 -24.501 1.00 25.00 N ATOM 989 CA LEU A 481 -6.636 -47.500 -23.055 1.00 25.00 C ATOM 990 C LEU A 481 -6.132 -48.874 -22.697 1.00 25.00 C ATOM 991 O LEU A 481 -5.416 -49.049 -21.733 1.00 25.00 O ATOM 992 CB LEU A 481 -8.074 -47.339 -22.591 1.00 25.00 C ATOM 993 CG LEU A 481 -8.575 -45.945 -22.941 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.086 -45.967 -23.041 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.114 -44.891 -21.941 1.00 25.00 C ATOM 0 H LEU A 481 -7.382 -47.410 -25.024 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.035 -46.743 -22.551 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.705 -48.092 -23.064 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.139 -47.499 -21.515 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.146 -45.665 -23.903 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.449 -44.970 -23.292 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.389 -46.669 -23.818 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.509 -46.278 -22.086 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.499 -43.915 -22.237 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.488 -45.143 -20.949 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.025 -44.860 -21.921 1.00 25.00 H new ATOM 1007 N MET A 482 -6.500 -49.861 -23.491 1.00 25.00 N ATOM 1008 CA MET A 482 -6.070 -51.232 -23.236 1.00 25.00 C ATOM 1009 C MET A 482 -4.572 -51.364 -23.300 1.00 25.00 C ATOM 1010 O MET A 482 -3.995 -52.237 -22.665 1.00 25.00 O ATOM 1011 CB MET A 482 -6.687 -52.187 -24.249 1.00 25.00 C ATOM 1012 CG MET A 482 -8.158 -52.115 -24.197 1.00 25.00 C ATOM 1013 SD MET A 482 -8.996 -53.583 -24.824 1.00 25.00 S ATOM 1014 CE MET A 482 -8.881 -53.321 -26.593 1.00 25.00 C ATOM 0 H MET A 482 -7.092 -49.746 -24.314 1.00 25.00 H new ATOM 0 HA MET A 482 -6.406 -51.488 -22.231 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.340 -51.937 -25.252 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.359 -53.206 -24.043 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.466 -51.949 -23.165 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.488 -51.249 -24.771 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.358 -54.150 -27.115 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.383 -52.390 -26.856 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.832 -53.263 -26.885 1.00 25.00 H new ATOM 1024 N THR A 483 -3.930 -50.504 -24.065 1.00 25.00 N ATOM 1025 CA THR A 483 -2.489 -50.620 -24.226 1.00 25.00 C ATOM 1026 C THR A 483 -1.774 -50.048 -23.016 1.00 25.00 C ATOM 1027 O THR A 483 -0.757 -50.583 -22.598 1.00 25.00 O ATOM 1028 CB THR A 483 -2.022 -49.973 -25.532 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.531 -48.643 -25.619 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.559 -50.769 -26.719 1.00 25.00 C ATOM 0 H THR A 483 -4.366 -49.735 -24.574 1.00 25.00 H new ATOM 0 HA THR A 483 -2.231 -51.677 -24.292 1.00 25.00 H new ATOM 0 HB THR A 483 -0.932 -49.960 -25.548 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.229 -48.231 -26.455 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.225 -50.307 -27.648 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.187 -51.792 -26.669 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.649 -50.777 -26.689 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.308 -48.988 -22.425 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.706 -48.440 -21.206 1.00 25.00 C ATOM 1040 C GLN A 484 -2.124 -49.271 -19.987 1.00 25.00 C ATOM 1041 O GLN A 484 -1.362 -49.411 -19.035 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.032 -46.945 -21.033 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.505 -46.604 -20.938 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.760 -45.119 -21.022 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.713 -44.414 -20.032 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.039 -44.643 -22.206 1.00 25.00 N ATOM 0 H GLN A 484 -3.138 -48.496 -22.756 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.622 -48.507 -21.298 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.535 -46.585 -20.132 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.604 -46.398 -21.873 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.044 -47.108 -21.740 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.903 -46.985 -19.998 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.069 -45.267 -23.012 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.227 -43.647 -22.324 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.312 -49.864 -20.014 1.00 25.00 N ATOM 1056 CA PHE A 485 -3.731 -50.739 -18.932 1.00 25.00 C ATOM 1057 C PHE A 485 -2.908 -52.026 -19.002 1.00 25.00 C ATOM 1058 O PHE A 485 -2.682 -52.687 -17.994 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.223 -51.034 -19.039 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.079 -50.114 -18.201 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.405 -48.813 -18.643 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.559 -50.544 -16.948 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.197 -47.952 -17.848 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.354 -49.689 -16.142 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.672 -48.391 -16.596 1.00 25.00 C ATOM 0 H PHE A 485 -3.993 -49.755 -20.765 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.561 -50.255 -17.970 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.528 -50.952 -20.082 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.405 -52.065 -18.734 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.044 -48.471 -19.602 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.319 -51.537 -16.597 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.437 -46.960 -18.200 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.715 -50.031 -15.183 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.277 -47.737 -15.986 1.00 25.00 H new