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 135:sc= -0.0782 (180deg=-1.11) USER MOD Single : A 433 MET CE :methyl -157:sc=-0.00396 (180deg=-0.713) USER MOD Single : A 434 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 477 HIS : no HD1:sc= -0.0966 X(o=-0.097,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc=-0.00117 (180deg=-0.00117) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 484 GLN : amide:sc= 0.36 X(o=0.36,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -56.491 -44.111 -18.672 1.00 25.00 N ATOM 114 CA GLU A 419 -55.434 -43.203 -19.113 1.00 25.00 C ATOM 115 C GLU A 419 -54.454 -43.884 -20.065 1.00 25.00 C ATOM 116 O GLU A 419 -53.948 -43.264 -20.976 1.00 25.00 O ATOM 117 CB GLU A 419 -54.655 -42.736 -17.883 1.00 25.00 C ATOM 118 CG GLU A 419 -55.373 -41.692 -17.024 1.00 25.00 C ATOM 119 CD GLU A 419 -55.144 -40.261 -17.500 1.00 25.00 C ATOM 120 OE1 GLU A 419 -54.221 -40.033 -18.314 1.00 25.00 O ATOM 121 OE2 GLU A 419 -55.867 -39.364 -17.038 1.00 25.00 O ATOM 0 HA GLU A 419 -55.902 -42.371 -19.640 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -54.430 -43.603 -17.262 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -53.701 -42.322 -18.210 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -56.443 -41.902 -17.027 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -55.033 -41.784 -15.992 1.00 25.00 H new ATOM 128 N VAL A 420 -54.185 -45.165 -19.853 1.00 25.00 N ATOM 129 CA VAL A 420 -53.250 -45.901 -20.699 1.00 25.00 C ATOM 130 C VAL A 420 -53.853 -46.098 -22.089 1.00 25.00 C ATOM 131 O VAL A 420 -53.158 -46.011 -23.092 1.00 25.00 O ATOM 132 CB VAL A 420 -52.895 -47.290 -20.074 1.00 25.00 C ATOM 133 CG1 VAL A 420 -51.851 -48.031 -20.925 1.00 25.00 C ATOM 134 CG2 VAL A 420 -52.353 -47.108 -18.645 1.00 25.00 C ATOM 0 H VAL A 420 -54.600 -45.718 -19.103 1.00 25.00 H new ATOM 0 HA VAL A 420 -52.332 -45.318 -20.778 1.00 25.00 H new ATOM 0 HB VAL A 420 -53.808 -47.885 -20.046 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -51.624 -48.993 -20.466 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -52.247 -48.192 -21.928 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -50.941 -47.434 -20.986 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -52.110 -48.082 -18.221 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -51.456 -46.490 -18.672 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -53.109 -46.623 -18.028 1.00 25.00 H new ATOM 144 N SER A 421 -55.149 -46.351 -22.157 1.00 25.00 N ATOM 145 CA SER A 421 -55.799 -46.570 -23.447 1.00 25.00 C ATOM 146 C SER A 421 -55.969 -45.268 -24.210 1.00 25.00 C ATOM 147 O SER A 421 -55.874 -45.241 -25.435 1.00 25.00 O ATOM 148 CB SER A 421 -57.139 -47.270 -23.254 1.00 25.00 C ATOM 149 OG SER A 421 -58.106 -46.470 -22.590 1.00 25.00 O ATOM 0 H SER A 421 -55.769 -46.410 -21.349 1.00 25.00 H new ATOM 0 HA SER A 421 -55.155 -47.216 -24.045 1.00 25.00 H new ATOM 0 HB2 SER A 421 -57.530 -47.564 -24.228 1.00 25.00 H new ATOM 0 HB3 SER A 421 -56.983 -48.185 -22.683 1.00 25.00 H new ATOM 0 HG SER A 421 -58.941 -46.974 -22.499 1.00 25.00 H new ATOM 155 N ASP A 422 -56.193 -44.184 -23.484 1.00 25.00 N ATOM 156 CA ASP A 422 -56.317 -42.871 -24.105 1.00 25.00 C ATOM 157 C ASP A 422 -54.941 -42.472 -24.616 1.00 25.00 C ATOM 158 O ASP A 422 -54.803 -41.826 -25.645 1.00 25.00 O ATOM 159 CB ASP A 422 -56.808 -41.837 -23.085 1.00 25.00 C ATOM 160 CG ASP A 422 -58.244 -42.082 -22.650 1.00 25.00 C ATOM 161 OD1 ASP A 422 -58.509 -42.053 -21.427 1.00 25.00 O ATOM 162 OD2 ASP A 422 -59.106 -42.311 -23.526 1.00 25.00 O ATOM 0 H ASP A 422 -56.293 -44.185 -22.469 1.00 25.00 H new ATOM 0 HA ASP A 422 -57.039 -42.910 -24.920 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -56.158 -41.858 -22.210 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -56.728 -40.839 -23.517 1.00 25.00 H new ATOM 167 N MET A 423 -53.916 -42.884 -23.887 1.00 25.00 N ATOM 168 CA MET A 423 -52.534 -42.555 -24.244 1.00 25.00 C ATOM 169 C MET A 423 -52.119 -43.341 -25.483 1.00 25.00 C ATOM 170 O MET A 423 -51.379 -42.847 -26.322 1.00 25.00 O ATOM 171 CB MET A 423 -51.617 -42.864 -23.059 1.00 25.00 C ATOM 172 CG MET A 423 -50.155 -42.510 -23.248 1.00 25.00 C ATOM 173 SD MET A 423 -49.263 -42.669 -21.665 1.00 25.00 S ATOM 174 CE MET A 423 -49.406 -44.458 -21.343 1.00 25.00 C ATOM 0 H MET A 423 -54.009 -43.448 -23.042 1.00 25.00 H new ATOM 0 HA MET A 423 -52.453 -41.493 -24.476 1.00 25.00 H new ATOM 0 HB2 MET A 423 -51.991 -42.330 -22.185 1.00 25.00 H new ATOM 0 HB3 MET A 423 -51.688 -43.929 -22.836 1.00 25.00 H new ATOM 0 HG2 MET A 423 -49.707 -43.166 -23.994 1.00 25.00 H new ATOM 0 HG3 MET A 423 -50.065 -41.491 -23.624 1.00 25.00 H new ATOM 0 HE1 MET A 423 -48.440 -44.848 -21.022 1.00 25.00 H new ATOM 0 HE2 MET A 423 -50.145 -44.629 -20.560 1.00 25.00 H new ATOM 0 HE3 MET A 423 -49.719 -44.968 -22.254 1.00 25.00 H new ATOM 184 N ALA A 424 -52.621 -44.558 -25.608 1.00 25.00 N ATOM 185 CA ALA A 424 -52.329 -45.388 -26.772 1.00 25.00 C ATOM 186 C ALA A 424 -52.913 -44.738 -28.033 1.00 25.00 C ATOM 187 O ALA A 424 -52.360 -44.864 -29.126 1.00 25.00 O ATOM 188 CB ALA A 424 -52.905 -46.795 -26.572 1.00 25.00 C ATOM 0 H ALA A 424 -53.233 -44.996 -24.920 1.00 25.00 H new ATOM 0 HA ALA A 424 -51.249 -45.473 -26.892 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -52.682 -47.407 -27.446 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -52.458 -47.249 -25.688 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -53.985 -46.731 -26.440 1.00 25.00 H new ATOM 194 N ALA A 425 -54.026 -44.032 -27.877 1.00 25.00 N ATOM 195 CA ALA A 425 -54.631 -43.327 -29.001 1.00 25.00 C ATOM 196 C ALA A 425 -53.721 -42.166 -29.426 1.00 25.00 C ATOM 197 O ALA A 425 -53.584 -41.883 -30.614 1.00 25.00 O ATOM 198 CB ALA A 425 -56.028 -42.816 -28.622 1.00 25.00 C ATOM 0 H ALA A 425 -54.524 -43.932 -26.993 1.00 25.00 H new ATOM 0 HA ALA A 425 -54.742 -44.013 -29.841 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -56.467 -42.292 -29.471 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -56.662 -43.659 -28.349 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -55.949 -42.133 -27.776 1.00 25.00 H new ATOM 204 N VAL A 426 -53.094 -41.510 -28.456 1.00 25.00 N ATOM 205 CA VAL A 426 -52.165 -40.416 -28.746 1.00 25.00 C ATOM 206 C VAL A 426 -50.952 -40.978 -29.477 1.00 25.00 C ATOM 207 O VAL A 426 -50.506 -40.411 -30.464 1.00 25.00 O ATOM 208 CB VAL A 426 -51.697 -39.691 -27.444 1.00 25.00 C ATOM 209 CG1 VAL A 426 -50.723 -38.559 -27.769 1.00 25.00 C ATOM 210 CG2 VAL A 426 -52.902 -39.128 -26.685 1.00 25.00 C ATOM 0 H VAL A 426 -53.209 -41.714 -27.463 1.00 25.00 H new ATOM 0 HA VAL A 426 -52.683 -39.684 -29.366 1.00 25.00 H new ATOM 0 HB VAL A 426 -51.187 -40.423 -26.818 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -50.412 -38.070 -26.846 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -49.848 -38.966 -28.276 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -51.213 -37.832 -28.417 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -52.560 -38.626 -25.780 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -53.430 -38.415 -27.318 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -53.575 -39.942 -26.416 1.00 25.00 H new ATOM 220 N GLU A 427 -50.429 -42.101 -29.006 1.00 25.00 N ATOM 221 CA GLU A 427 -49.277 -42.738 -29.644 1.00 25.00 C ATOM 222 C GLU A 427 -49.597 -43.068 -31.104 1.00 25.00 C ATOM 223 O GLU A 427 -48.786 -42.830 -31.999 1.00 25.00 O ATOM 224 CB GLU A 427 -48.908 -44.024 -28.895 1.00 25.00 C ATOM 225 CG GLU A 427 -48.281 -43.792 -27.519 1.00 25.00 C ATOM 226 CD GLU A 427 -48.098 -45.094 -26.740 1.00 25.00 C ATOM 227 OE1 GLU A 427 -47.655 -46.099 -27.342 1.00 25.00 O ATOM 228 OE2 GLU A 427 -48.389 -45.111 -25.521 1.00 25.00 O ATOM 0 H GLU A 427 -50.781 -42.593 -28.185 1.00 25.00 H new ATOM 0 HA GLU A 427 -48.434 -42.048 -29.611 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -49.805 -44.631 -28.775 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -48.213 -44.600 -29.506 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -47.314 -43.304 -27.640 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -48.911 -43.113 -26.945 1.00 25.00 H new ATOM 235 N ALA A 428 -50.785 -43.603 -31.351 1.00 25.00 N ATOM 236 CA ALA A 428 -51.199 -43.937 -32.711 1.00 25.00 C ATOM 237 C ALA A 428 -51.313 -42.673 -33.575 1.00 25.00 C ATOM 238 O ALA A 428 -50.944 -42.678 -34.756 1.00 25.00 O ATOM 239 CB ALA A 428 -52.536 -44.687 -32.678 1.00 25.00 C ATOM 0 H ALA A 428 -51.478 -43.815 -30.633 1.00 25.00 H new ATOM 0 HA ALA A 428 -50.441 -44.581 -33.157 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -52.840 -44.934 -33.695 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -52.424 -45.604 -32.100 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -53.295 -44.057 -32.215 1.00 25.00 H new ATOM 245 N ALA A 429 -51.812 -41.595 -32.983 1.00 25.00 N ATOM 246 CA ALA A 429 -51.960 -40.330 -33.690 1.00 25.00 C ATOM 247 C ALA A 429 -50.591 -39.748 -34.046 1.00 25.00 C ATOM 248 O ALA A 429 -50.390 -39.271 -35.155 1.00 25.00 O ATOM 249 CB ALA A 429 -52.760 -39.337 -32.835 1.00 25.00 C ATOM 0 H ALA A 429 -52.122 -41.572 -32.011 1.00 25.00 H new ATOM 0 HA ALA A 429 -52.504 -40.512 -34.617 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -52.864 -38.395 -33.373 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -53.748 -39.748 -32.628 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -52.236 -39.162 -31.895 1.00 25.00 H new ATOM 255 N GLU A 430 -49.648 -39.796 -33.116 1.00 25.00 N ATOM 256 CA GLU A 430 -48.302 -39.274 -33.369 1.00 25.00 C ATOM 257 C GLU A 430 -47.661 -40.057 -34.495 1.00 25.00 C ATOM 258 O GLU A 430 -47.021 -39.491 -35.388 1.00 25.00 O ATOM 259 CB GLU A 430 -47.425 -39.389 -32.122 1.00 25.00 C ATOM 260 CG GLU A 430 -47.879 -38.506 -30.981 1.00 25.00 C ATOM 261 CD GLU A 430 -46.798 -37.531 -30.541 1.00 25.00 C ATOM 262 OE1 GLU A 430 -47.003 -36.307 -30.698 1.00 25.00 O ATOM 263 OE2 GLU A 430 -45.739 -37.983 -30.050 1.00 25.00 O ATOM 0 H GLU A 430 -49.783 -40.187 -32.184 1.00 25.00 H new ATOM 0 HA GLU A 430 -48.389 -38.222 -33.640 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -47.418 -40.426 -31.787 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -46.399 -39.131 -32.384 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -48.765 -37.949 -31.286 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -48.169 -39.129 -30.135 1.00 25.00 H new ATOM 270 N LEU A 431 -47.843 -41.366 -34.465 1.00 25.00 N ATOM 271 CA LEU A 431 -47.287 -42.227 -35.499 1.00 25.00 C ATOM 272 C LEU A 431 -47.832 -41.860 -36.873 1.00 25.00 C ATOM 273 O LEU A 431 -47.068 -41.805 -37.836 1.00 25.00 O ATOM 274 CB LEU A 431 -47.582 -43.701 -35.197 1.00 25.00 C ATOM 275 CG LEU A 431 -46.712 -44.347 -34.104 1.00 25.00 C ATOM 276 CD1 LEU A 431 -47.312 -45.693 -33.703 1.00 25.00 C ATOM 277 CD2 LEU A 431 -45.269 -44.549 -34.586 1.00 25.00 C ATOM 0 H LEU A 431 -48.368 -41.856 -33.741 1.00 25.00 H new ATOM 0 HA LEU A 431 -46.207 -42.078 -35.505 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -48.628 -43.790 -34.903 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -47.460 -44.272 -36.117 1.00 25.00 H new ATOM 0 HG LEU A 431 -46.692 -43.677 -33.244 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -46.695 -46.150 -32.929 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -48.322 -45.542 -33.321 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -47.348 -46.349 -34.573 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -44.681 -45.007 -33.791 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -45.265 -45.199 -35.461 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -44.835 -43.584 -34.849 1.00 25.00 H new ATOM 289 N GLU A 432 -49.131 -41.619 -37.003 1.00 25.00 N ATOM 290 CA GLU A 432 -49.662 -41.236 -38.313 1.00 25.00 C ATOM 291 C GLU A 432 -49.316 -39.800 -38.701 1.00 25.00 C ATOM 292 O GLU A 432 -49.074 -39.524 -39.876 1.00 25.00 O ATOM 293 CB GLU A 432 -51.158 -41.533 -38.464 1.00 25.00 C ATOM 294 CG GLU A 432 -52.123 -40.595 -37.782 1.00 25.00 C ATOM 295 CD GLU A 432 -53.537 -40.836 -38.274 1.00 25.00 C ATOM 296 OE1 GLU A 432 -54.190 -39.864 -38.709 1.00 25.00 O ATOM 297 OE2 GLU A 432 -53.987 -42.004 -38.254 1.00 25.00 O ATOM 0 H GLU A 432 -49.817 -41.678 -36.251 1.00 25.00 H new ATOM 0 HA GLU A 432 -49.150 -41.878 -39.030 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -51.394 -41.544 -39.528 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -51.342 -42.539 -38.086 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -52.078 -40.739 -36.703 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -51.835 -39.562 -37.978 1.00 25.00 H new ATOM 304 N MET A 433 -49.261 -38.889 -37.739 1.00 25.00 N ATOM 305 CA MET A 433 -48.896 -37.507 -38.041 1.00 25.00 C ATOM 306 C MET A 433 -47.483 -37.479 -38.583 1.00 25.00 C ATOM 307 O MET A 433 -47.191 -36.723 -39.501 1.00 25.00 O ATOM 308 CB MET A 433 -48.999 -36.606 -36.807 1.00 25.00 C ATOM 309 CG MET A 433 -50.430 -36.210 -36.474 1.00 25.00 C ATOM 310 SD MET A 433 -50.529 -34.959 -35.165 1.00 25.00 S ATOM 311 CE MET A 433 -50.043 -35.897 -33.691 1.00 25.00 C ATOM 0 H MET A 433 -49.461 -39.075 -36.756 1.00 25.00 H new ATOM 0 HA MET A 433 -49.595 -37.122 -38.783 1.00 25.00 H new ATOM 0 HB2 MET A 433 -48.562 -37.121 -35.951 1.00 25.00 H new ATOM 0 HB3 MET A 433 -48.408 -35.705 -36.972 1.00 25.00 H new ATOM 0 HG2 MET A 433 -50.914 -35.828 -37.373 1.00 25.00 H new ATOM 0 HG3 MET A 433 -50.985 -37.096 -36.165 1.00 25.00 H new ATOM 0 HE1 MET A 433 -50.438 -35.407 -32.801 1.00 25.00 H new ATOM 0 HE2 MET A 433 -50.442 -36.909 -33.756 1.00 25.00 H new ATOM 0 HE3 MET A 433 -48.956 -35.939 -33.629 1.00 25.00 H new ATOM 321 N THR A 434 -46.611 -38.319 -38.041 1.00 25.00 N ATOM 322 CA THR A 434 -45.232 -38.406 -38.519 1.00 25.00 C ATOM 323 C THR A 434 -45.195 -38.806 -39.999 1.00 25.00 C ATOM 324 O THR A 434 -44.393 -38.288 -40.769 1.00 25.00 O ATOM 325 CB THR A 434 -44.409 -39.420 -37.688 1.00 25.00 C ATOM 326 OG1 THR A 434 -44.478 -39.068 -36.305 1.00 25.00 O ATOM 327 CG2 THR A 434 -42.942 -39.400 -38.089 1.00 25.00 C ATOM 0 H THR A 434 -46.831 -38.950 -37.271 1.00 25.00 H new ATOM 0 HA THR A 434 -44.785 -37.419 -38.402 1.00 25.00 H new ATOM 0 HB THR A 434 -44.826 -40.411 -37.869 1.00 25.00 H new ATOM 0 HG1 THR A 434 -45.354 -39.321 -35.946 1.00 25.00 H new ATOM 0 HG21 THR A 434 -42.391 -40.123 -37.488 1.00 25.00 H new ATOM 0 HG22 THR A 434 -42.849 -39.660 -39.144 1.00 25.00 H new ATOM 0 HG23 THR A 434 -42.533 -38.403 -37.924 1.00 25.00 H new ATOM 335 N ARG A 435 -46.072 -39.708 -40.416 1.00 25.00 N ATOM 336 CA ARG A 435 -46.104 -40.130 -41.824 1.00 25.00 C ATOM 337 C ARG A 435 -46.499 -38.940 -42.671 1.00 25.00 C ATOM 338 O ARG A 435 -45.867 -38.624 -43.670 1.00 25.00 O ATOM 339 CB ARG A 435 -47.133 -41.247 -42.043 1.00 25.00 C ATOM 340 CG ARG A 435 -46.895 -42.468 -41.196 1.00 25.00 C ATOM 341 CD ARG A 435 -48.118 -43.380 -41.182 1.00 25.00 C ATOM 342 NE ARG A 435 -48.241 -44.067 -39.882 1.00 25.00 N ATOM 343 CZ ARG A 435 -49.355 -44.610 -39.400 1.00 25.00 C ATOM 344 NH1 ARG A 435 -50.486 -44.597 -40.062 1.00 25.00 N ATOM 345 NH2 ARG A 435 -49.335 -45.157 -38.217 1.00 25.00 N ATOM 0 H ARG A 435 -46.763 -40.160 -39.817 1.00 25.00 H new ATOM 0 HA ARG A 435 -45.118 -40.504 -42.100 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -48.129 -40.858 -41.831 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -47.122 -41.537 -43.094 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -46.034 -43.016 -41.579 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -46.653 -42.165 -40.177 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -49.017 -42.795 -41.376 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -48.038 -44.116 -41.982 1.00 25.00 H new ATOM 0 HE ARG A 435 -47.402 -44.131 -39.305 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -50.533 -44.159 -40.982 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -51.319 -45.025 -39.657 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -48.472 -45.165 -37.673 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -50.182 -45.577 -37.835 1.00 25.00 H new ATOM 359 N GLN A 436 -47.555 -38.281 -42.238 1.00 25.00 N ATOM 360 CA GLN A 436 -48.102 -37.133 -42.955 1.00 25.00 C ATOM 361 C GLN A 436 -47.094 -35.993 -43.117 1.00 25.00 C ATOM 362 O GLN A 436 -46.950 -35.447 -44.210 1.00 25.00 O ATOM 363 CB GLN A 436 -49.351 -36.619 -42.233 1.00 25.00 C ATOM 364 CG GLN A 436 -50.666 -37.203 -42.754 1.00 25.00 C ATOM 365 CD GLN A 436 -50.871 -38.674 -42.407 1.00 25.00 C ATOM 366 OE1 GLN A 436 -50.276 -39.560 -43.014 1.00 25.00 O ATOM 367 NE2 GLN A 436 -51.720 -38.935 -41.446 1.00 25.00 N ATOM 0 H GLN A 436 -48.060 -38.520 -41.385 1.00 25.00 H new ATOM 0 HA GLN A 436 -48.357 -37.477 -43.957 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -49.262 -36.847 -41.171 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -49.388 -35.533 -42.324 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -51.495 -36.625 -42.346 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -50.699 -37.088 -43.837 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -52.195 -38.172 -40.964 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -51.906 -39.902 -41.179 1.00 25.00 H new ATOM 376 N VAL A 437 -46.389 -35.634 -42.054 1.00 25.00 N ATOM 377 CA VAL A 437 -45.412 -34.540 -42.141 1.00 25.00 C ATOM 378 C VAL A 437 -44.224 -34.899 -43.024 1.00 25.00 C ATOM 379 O VAL A 437 -43.702 -34.053 -43.737 1.00 25.00 O ATOM 380 CB VAL A 437 -44.896 -34.061 -40.746 1.00 25.00 C ATOM 381 CG1 VAL A 437 -46.049 -33.432 -39.940 1.00 25.00 C ATOM 382 CG2 VAL A 437 -44.244 -35.167 -39.945 1.00 25.00 C ATOM 0 H VAL A 437 -46.466 -36.069 -41.135 1.00 25.00 H new ATOM 0 HA VAL A 437 -45.958 -33.714 -42.597 1.00 25.00 H new ATOM 0 HB VAL A 437 -44.126 -33.313 -40.936 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -45.677 -33.102 -38.970 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -46.450 -32.577 -40.485 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -46.837 -34.171 -39.794 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -43.907 -34.772 -38.987 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -44.965 -35.966 -39.774 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -43.390 -35.561 -40.496 1.00 25.00 H new ATOM 392 N LEU A 438 -43.803 -36.153 -42.995 1.00 25.00 N ATOM 393 CA LEU A 438 -42.695 -36.600 -43.839 1.00 25.00 C ATOM 394 C LEU A 438 -43.087 -36.587 -45.312 1.00 25.00 C ATOM 395 O LEU A 438 -42.271 -36.252 -46.165 1.00 25.00 O ATOM 396 CB LEU A 438 -42.242 -38.009 -43.444 1.00 25.00 C ATOM 397 CG LEU A 438 -41.448 -38.113 -42.128 1.00 25.00 C ATOM 398 CD1 LEU A 438 -41.244 -39.586 -41.779 1.00 25.00 C ATOM 399 CD2 LEU A 438 -40.089 -37.410 -42.224 1.00 25.00 C ATOM 0 H LEU A 438 -44.205 -36.879 -42.402 1.00 25.00 H new ATOM 0 HA LEU A 438 -41.869 -35.904 -43.688 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -43.124 -38.645 -43.366 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -41.628 -38.412 -44.250 1.00 25.00 H new ATOM 0 HG LEU A 438 -42.021 -37.615 -41.346 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -40.682 -39.665 -40.848 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -42.214 -40.069 -41.660 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -40.690 -40.076 -42.580 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -39.561 -37.507 -41.275 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -39.497 -37.868 -43.017 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -40.241 -36.354 -42.449 1.00 25.00 H new ATOM 720 N ALA A 462 -17.440 -32.594 -45.265 1.00 25.00 N ATOM 721 CA ALA A 462 -16.388 -32.877 -44.299 1.00 25.00 C ATOM 722 C ALA A 462 -16.991 -33.442 -43.004 1.00 25.00 C ATOM 723 O ALA A 462 -16.456 -34.391 -42.435 1.00 25.00 O ATOM 724 CB ALA A 462 -15.584 -31.603 -44.008 1.00 25.00 C ATOM 0 HA ALA A 462 -15.715 -33.625 -44.719 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -14.800 -31.825 -43.284 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.133 -31.238 -44.931 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.247 -30.839 -43.601 1.00 25.00 H new ATOM 730 N LEU A 463 -18.100 -32.875 -42.538 1.00 25.00 N ATOM 731 CA LEU A 463 -18.730 -33.358 -41.312 1.00 25.00 C ATOM 732 C LEU A 463 -19.324 -34.747 -41.534 1.00 25.00 C ATOM 733 O LEU A 463 -19.308 -35.567 -40.634 1.00 25.00 O ATOM 734 CB LEU A 463 -19.767 -32.345 -40.789 1.00 25.00 C ATOM 735 CG LEU A 463 -21.275 -32.546 -41.036 1.00 25.00 C ATOM 736 CD1 LEU A 463 -21.919 -33.480 -40.010 1.00 25.00 C ATOM 737 CD2 LEU A 463 -21.961 -31.199 -40.971 1.00 25.00 C ATOM 0 H LEU A 463 -18.576 -32.091 -42.983 1.00 25.00 H new ATOM 0 HA LEU A 463 -17.971 -33.452 -40.535 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.628 -32.275 -39.710 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.503 -31.374 -41.208 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.392 -33.006 -42.017 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -22.981 -33.586 -40.231 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.439 -34.458 -40.056 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -21.796 -33.063 -39.011 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.030 -31.326 -41.144 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -21.803 -30.757 -39.987 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.545 -30.542 -41.735 1.00 25.00 H new ATOM 749 N GLN A 464 -19.821 -35.034 -42.728 1.00 25.00 N ATOM 750 CA GLN A 464 -20.327 -36.378 -43.025 1.00 25.00 C ATOM 751 C GLN A 464 -19.200 -37.400 -42.870 1.00 25.00 C ATOM 752 O GLN A 464 -19.410 -38.516 -42.393 1.00 25.00 O ATOM 753 CB GLN A 464 -20.933 -36.429 -44.422 1.00 25.00 C ATOM 754 CG GLN A 464 -22.215 -35.628 -44.497 1.00 25.00 C ATOM 755 CD GLN A 464 -22.915 -35.769 -45.811 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.355 -35.525 -46.870 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.150 -36.157 -45.750 1.00 25.00 N ATOM 0 H GLN A 464 -19.887 -34.371 -43.500 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.118 -36.626 -42.317 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.216 -36.040 -45.146 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.133 -37.465 -44.696 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.884 -35.948 -43.699 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -21.991 -34.576 -44.322 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.580 -36.350 -44.845 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.692 -36.269 -46.607 1.00 25.00 H new ATOM 766 N GLY A 465 -17.995 -36.996 -43.238 1.00 25.00 N ATOM 767 CA GLY A 465 -16.830 -37.837 -43.049 1.00 25.00 C ATOM 768 C GLY A 465 -16.540 -37.950 -41.569 1.00 25.00 C ATOM 769 O GLY A 465 -16.272 -39.034 -41.071 1.00 25.00 O ATOM 0 H GLY A 465 -17.801 -36.092 -43.668 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.006 -38.825 -43.475 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -15.971 -37.413 -43.570 1.00 25.00 H new ATOM 773 N ALA A 466 -16.615 -36.830 -40.858 1.00 25.00 N ATOM 774 CA ALA A 466 -16.366 -36.791 -39.415 1.00 25.00 C ATOM 775 C ALA A 466 -17.247 -37.796 -38.662 1.00 25.00 C ATOM 776 O ALA A 466 -16.797 -38.442 -37.727 1.00 25.00 O ATOM 777 CB ALA A 466 -16.598 -35.377 -38.874 1.00 25.00 C ATOM 0 H ALA A 466 -16.849 -35.923 -41.262 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.326 -37.071 -39.251 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.409 -35.363 -37.801 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.921 -34.682 -39.371 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.629 -35.079 -39.065 1.00 25.00 H new ATOM 783 N GLN A 467 -18.493 -37.932 -39.077 1.00 25.00 N ATOM 784 CA GLN A 467 -19.408 -38.886 -38.451 1.00 25.00 C ATOM 785 C GLN A 467 -18.947 -40.328 -38.671 1.00 25.00 C ATOM 786 O GLN A 467 -18.970 -41.147 -37.755 1.00 25.00 O ATOM 787 CB GLN A 467 -20.792 -38.737 -39.069 1.00 25.00 C ATOM 788 CG GLN A 467 -21.452 -37.370 -38.850 1.00 25.00 C ATOM 789 CD GLN A 467 -21.842 -37.099 -37.412 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.005 -38.002 -36.609 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.004 -35.841 -37.091 1.00 25.00 N ATOM 0 H GLN A 467 -18.900 -37.397 -39.844 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.428 -38.675 -37.382 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.717 -38.921 -40.141 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.443 -39.509 -38.658 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.768 -36.590 -39.184 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.342 -37.303 -39.476 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.858 -35.113 -37.791 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.276 -35.588 -36.141 1.00 25.00 H new ATOM 800 N ALA A 468 -18.538 -40.641 -39.892 1.00 25.00 N ATOM 801 CA ALA A 468 -18.113 -41.996 -40.226 1.00 25.00 C ATOM 802 C ALA A 468 -16.823 -42.356 -39.484 1.00 25.00 C ATOM 803 O ALA A 468 -16.692 -43.445 -38.921 1.00 25.00 O ATOM 804 CB ALA A 468 -17.915 -42.122 -41.743 1.00 25.00 C ATOM 0 H ALA A 468 -18.491 -39.979 -40.667 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.889 -42.694 -39.913 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.598 -43.136 -41.986 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.854 -41.904 -42.252 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.152 -41.415 -42.070 1.00 25.00 H new ATOM 810 N VAL A 469 -15.870 -41.436 -39.475 1.00 25.00 N ATOM 811 CA VAL A 469 -14.593 -41.685 -38.811 1.00 25.00 C ATOM 812 C VAL A 469 -14.768 -41.721 -37.302 1.00 25.00 C ATOM 813 O VAL A 469 -13.995 -42.363 -36.621 1.00 25.00 O ATOM 814 CB VAL A 469 -13.485 -40.660 -39.205 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.327 -40.612 -40.726 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.798 -39.276 -38.684 1.00 25.00 C ATOM 0 H VAL A 469 -15.952 -40.519 -39.914 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.254 -42.661 -39.158 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.552 -40.992 -38.750 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.551 -39.893 -40.989 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.047 -41.599 -41.094 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.270 -40.310 -41.180 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.005 -38.589 -38.978 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.746 -38.936 -39.101 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.870 -39.304 -37.597 1.00 25.00 H new ATOM 826 N ALA A 470 -15.776 -41.038 -36.772 1.00 25.00 N ATOM 827 CA ALA A 470 -16.012 -41.021 -35.324 1.00 25.00 C ATOM 828 C ALA A 470 -16.183 -42.439 -34.771 1.00 25.00 C ATOM 829 O ALA A 470 -15.766 -42.723 -33.646 1.00 25.00 O ATOM 830 CB ALA A 470 -17.239 -40.167 -34.984 1.00 25.00 C ATOM 0 H ALA A 470 -16.443 -40.490 -37.316 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.135 -40.577 -34.852 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.396 -40.168 -33.905 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.077 -39.145 -35.326 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.118 -40.580 -35.479 1.00 25.00 H new ATOM 836 N ALA A 471 -16.774 -43.331 -35.557 1.00 25.00 N ATOM 837 CA ALA A 471 -16.934 -44.720 -35.137 1.00 25.00 C ATOM 838 C ALA A 471 -15.554 -45.377 -34.978 1.00 25.00 C ATOM 839 O ALA A 471 -15.331 -46.161 -34.061 1.00 25.00 O ATOM 840 CB ALA A 471 -17.784 -45.483 -36.159 1.00 25.00 C ATOM 0 H ALA A 471 -17.148 -43.121 -36.482 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.446 -44.749 -34.175 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.898 -46.518 -35.837 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.766 -45.017 -36.236 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.293 -45.457 -37.132 1.00 25.00 H new ATOM 846 N ALA A 472 -14.630 -45.043 -35.866 1.00 25.00 N ATOM 847 CA ALA A 472 -13.265 -45.547 -35.782 1.00 25.00 C ATOM 848 C ALA A 472 -12.508 -44.878 -34.627 1.00 25.00 C ATOM 849 O ALA A 472 -11.643 -45.486 -34.020 1.00 25.00 O ATOM 850 CB ALA A 472 -12.531 -45.317 -37.112 1.00 25.00 C ATOM 0 H ALA A 472 -14.801 -44.422 -36.657 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.305 -46.618 -35.586 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.513 -45.698 -37.036 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.055 -45.840 -37.912 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.504 -44.250 -37.333 1.00 25.00 H new ATOM 856 N GLN A 473 -12.825 -43.626 -34.331 1.00 25.00 N ATOM 857 CA GLN A 473 -12.134 -42.900 -33.268 1.00 25.00 C ATOM 858 C GLN A 473 -12.507 -43.414 -31.887 1.00 25.00 C ATOM 859 O GLN A 473 -11.643 -43.634 -31.042 1.00 25.00 O ATOM 860 CB GLN A 473 -12.454 -41.401 -33.318 1.00 25.00 C ATOM 861 CG GLN A 473 -12.013 -40.686 -34.589 1.00 25.00 C ATOM 862 CD GLN A 473 -10.520 -40.457 -34.676 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.783 -40.667 -33.729 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.072 -40.023 -35.825 1.00 25.00 N ATOM 0 H GLN A 473 -13.552 -43.092 -34.807 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.070 -43.063 -33.438 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.530 -41.271 -33.202 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.981 -40.916 -32.464 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.332 -41.270 -35.452 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.522 -39.724 -34.649 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.720 -39.859 -36.596 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.075 -39.849 -35.951 1.00 25.00 H new ATOM 873 N ARG A 474 -13.795 -43.621 -31.652 1.00 25.00 N ATOM 874 CA ARG A 474 -14.245 -44.154 -30.357 1.00 25.00 C ATOM 875 C ARG A 474 -13.649 -45.544 -30.171 1.00 25.00 C ATOM 876 O ARG A 474 -13.433 -45.999 -29.055 1.00 25.00 O ATOM 877 CB ARG A 474 -15.782 -44.195 -30.256 1.00 25.00 C ATOM 878 CG ARG A 474 -16.467 -45.106 -31.269 1.00 25.00 C ATOM 879 CD ARG A 474 -17.974 -45.132 -31.105 1.00 25.00 C ATOM 880 NE ARG A 474 -18.375 -45.843 -29.876 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.627 -46.101 -29.513 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.658 -45.735 -30.237 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.847 -46.751 -28.403 1.00 25.00 N ATOM 0 H ARG A 474 -14.541 -43.435 -32.322 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.900 -43.493 -29.562 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -16.057 -44.520 -29.253 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.167 -43.183 -30.380 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.221 -44.772 -32.277 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.076 -46.118 -31.164 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.355 -44.111 -31.076 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.426 -45.617 -31.970 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.631 -46.162 -29.255 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.514 -45.233 -31.113 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.604 -45.952 -29.924 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.063 -47.054 -27.826 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.803 -46.956 -28.113 1.00 25.00 H new ATOM 897 N LEU A 475 -13.379 -46.201 -31.287 1.00 25.00 N ATOM 898 CA LEU A 475 -12.773 -47.517 -31.292 1.00 25.00 C ATOM 899 C LEU A 475 -11.269 -47.447 -30.992 1.00 25.00 C ATOM 900 O LEU A 475 -10.794 -48.144 -30.104 1.00 25.00 O ATOM 901 CB LEU A 475 -13.042 -48.168 -32.659 1.00 25.00 C ATOM 902 CG LEU A 475 -11.988 -49.114 -33.240 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.888 -50.385 -32.390 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.342 -49.482 -34.670 1.00 25.00 C ATOM 0 H LEU A 475 -13.576 -45.833 -32.218 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.215 -48.124 -30.502 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.978 -48.721 -32.584 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.202 -47.367 -33.381 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.025 -48.604 -33.232 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.135 -51.049 -32.815 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.605 -50.120 -31.371 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.853 -50.892 -32.378 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.584 -50.155 -35.071 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.313 -49.977 -34.689 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.383 -48.579 -35.279 1.00 25.00 H new ATOM 916 N VAL A 476 -10.513 -46.630 -31.719 1.00 25.00 N ATOM 917 CA VAL A 476 -9.055 -46.598 -31.542 1.00 25.00 C ATOM 918 C VAL A 476 -8.708 -46.138 -30.135 1.00 25.00 C ATOM 919 O VAL A 476 -7.771 -46.642 -29.513 1.00 25.00 O ATOM 920 CB VAL A 476 -8.335 -45.739 -32.638 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.702 -44.273 -32.556 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.817 -45.907 -32.544 1.00 25.00 C ATOM 0 H VAL A 476 -10.873 -45.989 -32.426 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.681 -47.614 -31.672 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.679 -46.108 -33.604 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.177 -43.722 -33.336 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.777 -44.159 -32.692 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.416 -43.880 -31.580 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.336 -45.303 -33.313 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.475 -45.583 -31.561 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.557 -46.955 -32.691 1.00 25.00 H new ATOM 932 N HIS A 477 -9.482 -45.201 -29.619 1.00 25.00 N ATOM 933 CA HIS A 477 -9.279 -44.703 -28.283 1.00 25.00 C ATOM 934 C HIS A 477 -9.490 -45.818 -27.271 1.00 25.00 C ATOM 935 O HIS A 477 -8.794 -45.878 -26.273 1.00 25.00 O ATOM 936 CB HIS A 477 -10.238 -43.549 -28.013 1.00 25.00 C ATOM 937 CG HIS A 477 -9.888 -42.760 -26.792 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.731 -41.879 -26.160 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.733 -42.718 -26.075 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.084 -41.361 -25.118 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.862 -41.841 -25.016 1.00 25.00 N ATOM 0 H HIS A 477 -10.262 -44.770 -30.115 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.256 -44.340 -28.187 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.247 -42.884 -28.876 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.248 -43.944 -27.905 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.844 -43.288 -26.301 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.509 -40.636 -24.440 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.163 -41.614 -24.309 1.00 25.00 H new ATOM 949 N ALA A 478 -10.435 -46.716 -27.527 1.00 25.00 N ATOM 950 CA ALA A 478 -10.699 -47.795 -26.588 1.00 25.00 C ATOM 951 C ALA A 478 -9.451 -48.664 -26.428 1.00 25.00 C ATOM 952 O ALA A 478 -9.075 -49.015 -25.317 1.00 25.00 O ATOM 953 CB ALA A 478 -11.888 -48.634 -27.061 1.00 25.00 C ATOM 0 H ALA A 478 -11.021 -46.718 -28.362 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.951 -47.367 -25.618 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.073 -49.437 -26.348 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.773 -48.002 -27.134 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.666 -49.061 -28.039 1.00 25.00 H new ATOM 959 N ILE A 479 -8.801 -49.003 -27.533 1.00 25.00 N ATOM 960 CA ILE A 479 -7.607 -49.851 -27.467 1.00 25.00 C ATOM 961 C ILE A 479 -6.459 -49.081 -26.854 1.00 25.00 C ATOM 962 O ILE A 479 -5.666 -49.645 -26.123 1.00 25.00 O ATOM 963 CB ILE A 479 -7.158 -50.350 -28.855 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.310 -51.039 -29.583 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.985 -51.349 -28.737 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.528 -50.434 -30.899 1.00 25.00 C ATOM 0 H ILE A 479 -9.070 -48.713 -28.473 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.874 -50.714 -26.857 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.834 -49.476 -29.420 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.091 -52.101 -29.697 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.220 -50.963 -28.988 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.690 -51.683 -29.732 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.139 -50.861 -28.253 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.297 -52.208 -28.143 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.353 -50.940 -31.400 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.770 -49.378 -30.778 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.624 -50.533 -31.499 1.00 25.00 H new ATOM 978 N ALA A 480 -6.380 -47.787 -27.131 1.00 25.00 N ATOM 979 CA ALA A 480 -5.317 -46.951 -26.581 1.00 25.00 C ATOM 980 C ALA A 480 -5.348 -47.021 -25.047 1.00 25.00 C ATOM 981 O ALA A 480 -4.328 -46.849 -24.376 1.00 25.00 O ATOM 982 CB ALA A 480 -5.488 -45.501 -27.069 1.00 25.00 C ATOM 0 H ALA A 480 -7.038 -47.292 -27.733 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.349 -47.316 -26.925 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.692 -44.882 -26.655 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.439 -45.475 -28.158 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.454 -45.118 -26.740 1.00 25.00 H new ATOM 988 N LEU A 481 -6.523 -47.286 -24.497 1.00 25.00 N ATOM 989 CA LEU A 481 -6.660 -47.435 -23.045 1.00 25.00 C ATOM 990 C LEU A 481 -6.244 -48.826 -22.633 1.00 25.00 C ATOM 991 O LEU A 481 -5.539 -49.008 -21.659 1.00 25.00 O ATOM 992 CB LEU A 481 -8.088 -47.164 -22.599 1.00 25.00 C ATOM 993 CG LEU A 481 -8.499 -45.755 -23.008 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.008 -45.687 -23.117 1.00 25.00 C ATOM 995 CD2 LEU A 481 -7.979 -44.695 -22.044 1.00 25.00 C ATOM 0 H LEU A 481 -7.390 -47.402 -25.022 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.011 -46.704 -22.562 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.763 -47.894 -23.046 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.168 -47.277 -21.518 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.048 -45.539 -23.977 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.307 -44.680 -23.409 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.351 -46.400 -23.867 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.454 -45.932 -22.153 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.299 -43.709 -22.380 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.375 -44.885 -21.046 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -6.890 -44.732 -22.015 1.00 25.00 H new ATOM 1007 N MET A 482 -6.671 -49.820 -23.388 1.00 25.00 N ATOM 1008 CA MET A 482 -6.325 -51.207 -23.081 1.00 25.00 C ATOM 1009 C MET A 482 -4.830 -51.425 -23.113 1.00 25.00 C ATOM 1010 O MET A 482 -4.303 -52.284 -22.414 1.00 25.00 O ATOM 1011 CB MET A 482 -6.975 -52.157 -24.082 1.00 25.00 C ATOM 1012 CG MET A 482 -8.450 -52.016 -24.079 1.00 25.00 C ATOM 1013 SD MET A 482 -9.334 -53.459 -24.695 1.00 25.00 S ATOM 1014 CE MET A 482 -9.201 -53.217 -26.464 1.00 25.00 C ATOM 0 H MET A 482 -7.255 -49.701 -24.216 1.00 25.00 H new ATOM 0 HA MET A 482 -6.695 -51.413 -22.076 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.590 -51.954 -25.082 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.705 -53.185 -23.839 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.781 -51.809 -23.061 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.722 -51.152 -24.685 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.703 -54.034 -26.982 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.669 -52.272 -26.738 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.150 -53.198 -26.751 1.00 25.00 H new ATOM 1024 N THR A 483 -4.139 -50.645 -23.924 1.00 25.00 N ATOM 1025 CA THR A 483 -2.699 -50.851 -24.096 1.00 25.00 C ATOM 1026 C THR A 483 -1.898 -50.302 -22.934 1.00 25.00 C ATOM 1027 O THR A 483 -0.742 -50.676 -22.743 1.00 25.00 O ATOM 1028 CB THR A 483 -2.212 -50.252 -25.414 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.669 -48.905 -25.532 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.774 -51.047 -26.573 1.00 25.00 C ATOM 0 H THR A 483 -4.534 -49.877 -24.467 1.00 25.00 H new ATOM 0 HA THR A 483 -2.536 -51.928 -24.122 1.00 25.00 H new ATOM 0 HB THR A 483 -1.122 -50.280 -25.430 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.353 -48.525 -26.378 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.425 -50.617 -27.512 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.439 -52.082 -26.501 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.863 -51.015 -26.542 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.518 -49.439 -22.143 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.880 -48.909 -20.945 1.00 25.00 C ATOM 1040 C GLN A 484 -2.451 -49.584 -19.696 1.00 25.00 C ATOM 1041 O GLN A 484 -1.728 -49.811 -18.740 1.00 25.00 O ATOM 1042 CB GLN A 484 -1.981 -47.372 -20.880 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.390 -46.807 -20.948 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.407 -45.300 -21.021 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.120 -44.620 -20.054 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -3.753 -44.777 -22.167 1.00 25.00 N ATOM 0 H GLN A 484 -3.462 -49.090 -22.308 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.816 -49.142 -20.989 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.516 -47.033 -19.954 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.399 -46.952 -21.701 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -3.900 -47.215 -21.821 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.950 -47.131 -20.071 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -3.986 -45.382 -22.954 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -3.790 -43.763 -22.275 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.731 -49.937 -19.705 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.337 -50.626 -18.572 1.00 25.00 C ATOM 1057 C PHE A 485 -3.785 -52.042 -18.462 1.00 25.00 C ATOM 1058 O PHE A 485 -3.578 -52.552 -17.369 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.852 -50.676 -18.747 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.575 -49.546 -18.061 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.209 -49.762 -16.823 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.621 -48.259 -18.634 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.889 -48.708 -16.161 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.294 -47.197 -17.983 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.929 -47.424 -16.744 1.00 25.00 C ATOM 0 H PHE A 485 -4.368 -49.758 -20.482 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.098 -50.081 -17.659 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.088 -50.654 -19.811 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.223 -51.624 -18.357 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.177 -50.743 -16.372 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.136 -48.081 -19.582 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.375 -48.888 -15.213 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.321 -46.216 -18.434 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.444 -46.617 -16.243 1.00 25.00 H new