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 176:sc= -0.0196 (180deg=-0.0401) USER MOD Single : A 433 MET CE :methyl -143:sc= -0.0654 (180deg=-1.74!) USER MOD Single : A 434 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 436 GLN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 473 GLN : amide:sc= -0.0904 K(o=-0.09,f=-1.7!) USER MOD Single : A 477 HIS : no HD1:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot -77:sc= 0.11 USER MOD Single : A 484 GLN : amide:sc= 0.0262 X(o=0.026,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -0.571 -29.313 -53.062 1.00 25.00 N ATOM 114 CA GLU A 419 -0.170 -28.847 -51.749 1.00 25.00 C ATOM 115 C GLU A 419 -1.401 -28.659 -50.879 1.00 25.00 C ATOM 116 O GLU A 419 -1.375 -28.934 -49.701 1.00 25.00 O ATOM 117 CB GLU A 419 0.572 -27.508 -51.896 1.00 25.00 C ATOM 118 CG GLU A 419 1.860 -27.568 -52.763 1.00 25.00 C ATOM 119 CD GLU A 419 1.614 -27.465 -54.288 1.00 25.00 C ATOM 120 OE1 GLU A 419 2.604 -27.341 -55.032 1.00 25.00 O ATOM 121 OE2 GLU A 419 0.443 -27.518 -54.746 1.00 25.00 O ATOM 0 HA GLU A 419 0.488 -29.580 -51.282 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -0.109 -26.777 -52.332 1.00 25.00 H new ATOM 0 HB3 GLU A 419 0.836 -27.144 -50.903 1.00 25.00 H new ATOM 0 HG2 GLU A 419 2.525 -26.759 -52.460 1.00 25.00 H new ATOM 0 HG3 GLU A 419 2.380 -28.503 -52.554 1.00 25.00 H new ATOM 128 N VAL A 420 -2.491 -28.202 -51.481 1.00 25.00 N ATOM 129 CA VAL A 420 -3.747 -27.997 -50.755 1.00 25.00 C ATOM 130 C VAL A 420 -4.287 -29.346 -50.271 1.00 25.00 C ATOM 131 O VAL A 420 -4.907 -29.443 -49.214 1.00 25.00 O ATOM 132 CB VAL A 420 -4.795 -27.270 -51.655 1.00 25.00 C ATOM 133 CG1 VAL A 420 -6.127 -27.061 -50.916 1.00 25.00 C ATOM 134 CG2 VAL A 420 -4.246 -25.904 -52.098 1.00 25.00 C ATOM 0 H VAL A 420 -2.535 -27.964 -52.472 1.00 25.00 H new ATOM 0 HA VAL A 420 -3.556 -27.362 -49.890 1.00 25.00 H new ATOM 0 HB VAL A 420 -4.978 -27.902 -52.524 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -6.832 -26.552 -51.573 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -6.537 -28.028 -50.624 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -5.958 -26.454 -50.026 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -4.982 -25.402 -52.726 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -4.041 -25.292 -51.220 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -3.325 -26.048 -52.663 1.00 25.00 H new ATOM 144 N SER A 421 -4.033 -30.395 -51.037 1.00 25.00 N ATOM 145 CA SER A 421 -4.485 -31.728 -50.650 1.00 25.00 C ATOM 146 C SER A 421 -3.680 -32.241 -49.458 1.00 25.00 C ATOM 147 O SER A 421 -4.224 -32.874 -48.557 1.00 25.00 O ATOM 148 CB SER A 421 -4.336 -32.694 -51.820 1.00 25.00 C ATOM 149 OG SER A 421 -5.062 -32.230 -52.951 1.00 25.00 O ATOM 0 H SER A 421 -3.523 -30.355 -51.920 1.00 25.00 H new ATOM 0 HA SER A 421 -5.536 -31.665 -50.367 1.00 25.00 H new ATOM 0 HB2 SER A 421 -3.282 -32.801 -52.077 1.00 25.00 H new ATOM 0 HB3 SER A 421 -4.696 -33.681 -51.531 1.00 25.00 H new ATOM 0 HG SER A 421 -4.953 -32.862 -53.692 1.00 25.00 H new ATOM 155 N ASP A 422 -2.386 -31.953 -49.456 1.00 25.00 N ATOM 156 CA ASP A 422 -1.503 -32.365 -48.361 1.00 25.00 C ATOM 157 C ASP A 422 -1.789 -31.518 -47.127 1.00 25.00 C ATOM 158 O ASP A 422 -1.702 -31.981 -45.996 1.00 25.00 O ATOM 159 CB ASP A 422 -0.042 -32.198 -48.783 1.00 25.00 C ATOM 160 CG ASP A 422 0.920 -32.896 -47.841 1.00 25.00 C ATOM 161 OD1 ASP A 422 0.618 -34.032 -47.414 1.00 25.00 O ATOM 162 OD2 ASP A 422 1.984 -32.317 -47.540 1.00 25.00 O ATOM 0 H ASP A 422 -1.919 -31.435 -50.200 1.00 25.00 H new ATOM 0 HA ASP A 422 -1.686 -33.413 -48.125 1.00 25.00 H new ATOM 0 HB2 ASP A 422 0.089 -32.594 -49.790 1.00 25.00 H new ATOM 0 HB3 ASP A 422 0.201 -31.136 -48.824 1.00 25.00 H new ATOM 167 N MET A 423 -2.162 -30.270 -47.363 1.00 25.00 N ATOM 168 CA MET A 423 -2.505 -29.344 -46.287 1.00 25.00 C ATOM 169 C MET A 423 -3.676 -29.879 -45.494 1.00 25.00 C ATOM 170 O MET A 423 -3.695 -29.810 -44.275 1.00 25.00 O ATOM 171 CB MET A 423 -2.882 -27.980 -46.860 1.00 25.00 C ATOM 172 CG MET A 423 -1.782 -26.956 -46.749 1.00 25.00 C ATOM 173 SD MET A 423 -1.767 -25.787 -48.147 1.00 25.00 S ATOM 174 CE MET A 423 -3.421 -25.081 -48.077 1.00 25.00 C ATOM 0 H MET A 423 -2.236 -29.869 -48.298 1.00 25.00 H new ATOM 0 HA MET A 423 -1.636 -29.240 -45.638 1.00 25.00 H new ATOM 0 HB2 MET A 423 -3.153 -28.098 -47.909 1.00 25.00 H new ATOM 0 HB3 MET A 423 -3.766 -27.609 -46.342 1.00 25.00 H new ATOM 0 HG2 MET A 423 -1.900 -26.401 -45.818 1.00 25.00 H new ATOM 0 HG3 MET A 423 -0.820 -27.466 -46.697 1.00 25.00 H new ATOM 0 HE1 MET A 423 -3.516 -24.302 -48.833 1.00 25.00 H new ATOM 0 HE2 MET A 423 -4.158 -25.862 -48.266 1.00 25.00 H new ATOM 0 HE3 MET A 423 -3.592 -24.652 -47.090 1.00 25.00 H new ATOM 184 N ALA A 424 -4.659 -30.428 -46.188 1.00 25.00 N ATOM 185 CA ALA A 424 -5.829 -30.967 -45.519 1.00 25.00 C ATOM 186 C ALA A 424 -5.457 -32.205 -44.688 1.00 25.00 C ATOM 187 O ALA A 424 -6.050 -32.467 -43.639 1.00 25.00 O ATOM 188 CB ALA A 424 -6.903 -31.318 -46.556 1.00 25.00 C ATOM 0 H ALA A 424 -4.670 -30.511 -47.205 1.00 25.00 H new ATOM 0 HA ALA A 424 -6.225 -30.212 -44.840 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -7.779 -31.722 -46.050 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -7.184 -30.420 -47.107 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -6.510 -32.061 -47.250 1.00 25.00 H new ATOM 194 N ALA A 425 -4.483 -32.967 -45.166 1.00 25.00 N ATOM 195 CA ALA A 425 -4.050 -34.175 -44.475 1.00 25.00 C ATOM 196 C ALA A 425 -3.292 -33.828 -43.189 1.00 25.00 C ATOM 197 O ALA A 425 -3.544 -34.414 -42.134 1.00 25.00 O ATOM 198 CB ALA A 425 -3.165 -35.020 -45.404 1.00 25.00 C ATOM 0 H ALA A 425 -3.977 -32.771 -46.030 1.00 25.00 H new ATOM 0 HA ALA A 425 -4.933 -34.752 -44.201 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -2.845 -35.921 -44.881 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -3.732 -35.298 -46.293 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -2.290 -34.441 -45.698 1.00 25.00 H new ATOM 204 N VAL A 426 -2.360 -32.891 -43.279 1.00 25.00 N ATOM 205 CA VAL A 426 -1.567 -32.505 -42.116 1.00 25.00 C ATOM 206 C VAL A 426 -2.435 -31.774 -41.098 1.00 25.00 C ATOM 207 O VAL A 426 -2.264 -31.952 -39.901 1.00 25.00 O ATOM 208 CB VAL A 426 -0.312 -31.682 -42.536 1.00 25.00 C ATOM 209 CG1 VAL A 426 -0.662 -30.315 -43.098 1.00 25.00 C ATOM 210 CG2 VAL A 426 0.656 -31.546 -41.371 1.00 25.00 C ATOM 0 H VAL A 426 -2.134 -32.386 -44.136 1.00 25.00 H new ATOM 0 HA VAL A 426 -1.194 -33.407 -41.632 1.00 25.00 H new ATOM 0 HB VAL A 426 0.170 -32.239 -43.340 1.00 25.00 H new ATOM 0 HG11 VAL A 426 0.253 -29.789 -43.372 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -1.291 -30.434 -43.980 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -1.200 -29.739 -42.345 1.00 25.00 H new ATOM 0 HG21 VAL A 426 1.525 -30.968 -41.686 1.00 25.00 H new ATOM 0 HG22 VAL A 426 0.161 -31.036 -40.544 1.00 25.00 H new ATOM 0 HG23 VAL A 426 0.977 -32.536 -41.047 1.00 25.00 H new ATOM 220 N GLU A 427 -3.389 -30.987 -41.570 1.00 25.00 N ATOM 221 CA GLU A 427 -4.327 -30.300 -40.669 1.00 25.00 C ATOM 222 C GLU A 427 -5.048 -31.319 -39.800 1.00 25.00 C ATOM 223 O GLU A 427 -5.200 -31.125 -38.601 1.00 25.00 O ATOM 224 CB GLU A 427 -5.395 -29.511 -41.436 1.00 25.00 C ATOM 225 CG GLU A 427 -5.134 -28.013 -41.524 1.00 25.00 C ATOM 226 CD GLU A 427 -6.372 -27.246 -41.995 1.00 25.00 C ATOM 227 OE1 GLU A 427 -6.342 -26.672 -43.108 1.00 25.00 O ATOM 228 OE2 GLU A 427 -7.383 -27.226 -41.251 1.00 25.00 O ATOM 0 H GLU A 427 -3.541 -30.803 -42.562 1.00 25.00 H new ATOM 0 HA GLU A 427 -3.736 -29.609 -40.068 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -5.470 -29.914 -42.446 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -6.361 -29.671 -40.956 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -4.825 -27.640 -40.547 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -4.309 -27.828 -42.211 1.00 25.00 H new ATOM 235 N ALA A 428 -5.484 -32.418 -40.399 1.00 25.00 N ATOM 236 CA ALA A 428 -6.199 -33.445 -39.652 1.00 25.00 C ATOM 237 C ALA A 428 -5.304 -34.043 -38.559 1.00 25.00 C ATOM 238 O ALA A 428 -5.771 -34.326 -37.450 1.00 25.00 O ATOM 239 CB ALA A 428 -6.693 -34.540 -40.606 1.00 25.00 C ATOM 0 H ALA A 428 -5.357 -32.621 -41.390 1.00 25.00 H new ATOM 0 HA ALA A 428 -7.062 -32.987 -39.168 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -7.226 -35.303 -40.039 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -7.364 -34.103 -41.346 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -5.841 -34.993 -41.112 1.00 25.00 H new ATOM 245 N ALA A 429 -4.027 -34.218 -38.874 1.00 25.00 N ATOM 246 CA ALA A 429 -3.065 -34.766 -37.922 1.00 25.00 C ATOM 247 C ALA A 429 -2.822 -33.784 -36.771 1.00 25.00 C ATOM 248 O ALA A 429 -2.769 -34.181 -35.610 1.00 25.00 O ATOM 249 CB ALA A 429 -1.746 -35.092 -38.637 1.00 25.00 C ATOM 0 H ALA A 429 -3.631 -33.988 -39.785 1.00 25.00 H new ATOM 0 HA ALA A 429 -3.475 -35.685 -37.503 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -1.034 -35.500 -37.919 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -1.930 -35.825 -39.423 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -1.336 -34.183 -39.077 1.00 25.00 H new ATOM 255 N GLU A 430 -2.683 -32.507 -37.090 1.00 25.00 N ATOM 256 CA GLU A 430 -2.446 -31.485 -36.069 1.00 25.00 C ATOM 257 C GLU A 430 -3.661 -31.378 -35.154 1.00 25.00 C ATOM 258 O GLU A 430 -3.535 -31.320 -33.932 1.00 25.00 O ATOM 259 CB GLU A 430 -2.158 -30.128 -36.721 1.00 25.00 C ATOM 260 CG GLU A 430 -0.905 -30.123 -37.596 1.00 25.00 C ATOM 261 CD GLU A 430 0.184 -29.210 -37.059 1.00 25.00 C ATOM 262 OE1 GLU A 430 0.033 -27.974 -37.153 1.00 25.00 O ATOM 263 OE2 GLU A 430 1.200 -29.736 -36.549 1.00 25.00 O ATOM 0 H GLU A 430 -2.729 -32.149 -38.044 1.00 25.00 H new ATOM 0 HA GLU A 430 -1.576 -31.775 -35.479 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -3.016 -29.836 -37.327 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -2.049 -29.375 -35.940 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -0.517 -31.139 -37.672 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -1.173 -29.808 -38.604 1.00 25.00 H new ATOM 270 N LEU A 431 -4.842 -31.374 -35.754 1.00 25.00 N ATOM 271 CA LEU A 431 -6.083 -31.276 -34.995 1.00 25.00 C ATOM 272 C LEU A 431 -6.255 -32.458 -34.052 1.00 25.00 C ATOM 273 O LEU A 431 -6.704 -32.285 -32.920 1.00 25.00 O ATOM 274 CB LEU A 431 -7.285 -31.200 -35.945 1.00 25.00 C ATOM 275 CG LEU A 431 -7.479 -29.855 -36.665 1.00 25.00 C ATOM 276 CD1 LEU A 431 -8.481 -30.024 -37.809 1.00 25.00 C ATOM 277 CD2 LEU A 431 -7.975 -28.771 -35.701 1.00 25.00 C ATOM 0 H LEU A 431 -4.969 -31.437 -36.764 1.00 25.00 H new ATOM 0 HA LEU A 431 -6.031 -30.365 -34.399 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -7.181 -31.982 -36.697 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -8.189 -31.421 -35.377 1.00 25.00 H new ATOM 0 HG LEU A 431 -6.513 -29.540 -37.061 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -8.617 -29.070 -38.318 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -8.104 -30.762 -38.517 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -9.437 -30.361 -37.408 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -8.102 -27.833 -36.242 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -8.930 -29.075 -35.272 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -7.246 -28.633 -34.902 1.00 25.00 H new ATOM 289 N GLU A 432 -5.921 -33.664 -34.491 1.00 25.00 N ATOM 290 CA GLU A 432 -6.027 -34.812 -33.595 1.00 25.00 C ATOM 291 C GLU A 432 -4.916 -34.812 -32.546 1.00 25.00 C ATOM 292 O GLU A 432 -5.120 -35.305 -31.438 1.00 25.00 O ATOM 293 CB GLU A 432 -6.169 -36.153 -34.331 1.00 25.00 C ATOM 294 CG GLU A 432 -4.931 -36.754 -34.951 1.00 25.00 C ATOM 295 CD GLU A 432 -5.233 -38.127 -35.556 1.00 25.00 C ATOM 296 OE1 GLU A 432 -4.303 -38.953 -35.662 1.00 25.00 O ATOM 297 OE2 GLU A 432 -6.415 -38.383 -35.912 1.00 25.00 O ATOM 0 H GLU A 432 -5.584 -33.872 -35.431 1.00 25.00 H new ATOM 0 HA GLU A 432 -6.967 -34.697 -33.055 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -6.576 -36.879 -33.627 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -6.909 -36.024 -35.121 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -4.547 -36.088 -35.724 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -4.151 -36.849 -34.196 1.00 25.00 H new ATOM 304 N MET A 433 -3.756 -34.253 -32.866 1.00 25.00 N ATOM 305 CA MET A 433 -2.673 -34.159 -31.887 1.00 25.00 C ATOM 306 C MET A 433 -3.081 -33.278 -30.713 1.00 25.00 C ATOM 307 O MET A 433 -2.747 -33.590 -29.574 1.00 25.00 O ATOM 308 CB MET A 433 -1.383 -33.622 -32.512 1.00 25.00 C ATOM 309 CG MET A 433 -0.465 -34.734 -32.986 1.00 25.00 C ATOM 310 SD MET A 433 1.157 -34.153 -33.553 1.00 25.00 S ATOM 311 CE MET A 433 0.741 -33.283 -35.091 1.00 25.00 C ATOM 0 H MET A 433 -3.539 -33.862 -33.783 1.00 25.00 H new ATOM 0 HA MET A 433 -2.480 -35.170 -31.528 1.00 25.00 H new ATOM 0 HB2 MET A 433 -1.632 -32.976 -33.354 1.00 25.00 H new ATOM 0 HB3 MET A 433 -0.857 -33.006 -31.782 1.00 25.00 H new ATOM 0 HG2 MET A 433 -0.322 -35.446 -32.173 1.00 25.00 H new ATOM 0 HG3 MET A 433 -0.952 -35.273 -33.799 1.00 25.00 H new ATOM 0 HE1 MET A 433 1.527 -33.450 -35.828 1.00 25.00 H new ATOM 0 HE2 MET A 433 -0.206 -33.660 -35.478 1.00 25.00 H new ATOM 0 HE3 MET A 433 0.652 -32.215 -34.892 1.00 25.00 H new ATOM 321 N THR A 434 -3.821 -32.203 -30.966 1.00 25.00 N ATOM 322 CA THR A 434 -4.315 -31.338 -29.884 1.00 25.00 C ATOM 323 C THR A 434 -5.165 -32.141 -28.891 1.00 25.00 C ATOM 324 O THR A 434 -5.199 -31.870 -27.700 1.00 25.00 O ATOM 325 CB THR A 434 -5.191 -30.196 -30.445 1.00 25.00 C ATOM 326 OG1 THR A 434 -4.583 -29.667 -31.622 1.00 25.00 O ATOM 327 CG2 THR A 434 -5.349 -29.064 -29.436 1.00 25.00 C ATOM 0 H THR A 434 -4.094 -31.906 -31.903 1.00 25.00 H new ATOM 0 HA THR A 434 -3.441 -30.924 -29.381 1.00 25.00 H new ATOM 0 HB THR A 434 -6.175 -30.610 -30.666 1.00 25.00 H new ATOM 0 HG1 THR A 434 -5.138 -28.943 -31.980 1.00 25.00 H new ATOM 0 HG21 THR A 434 -5.971 -28.278 -29.865 1.00 25.00 H new ATOM 0 HG22 THR A 434 -5.821 -29.447 -28.531 1.00 25.00 H new ATOM 0 HG23 THR A 434 -4.368 -28.656 -29.190 1.00 25.00 H new ATOM 335 N ARG A 435 -5.850 -33.151 -29.395 1.00 25.00 N ATOM 336 CA ARG A 435 -6.703 -34.007 -28.559 1.00 25.00 C ATOM 337 C ARG A 435 -5.852 -34.902 -27.679 1.00 25.00 C ATOM 338 O ARG A 435 -6.193 -35.155 -26.536 1.00 25.00 O ATOM 339 CB ARG A 435 -7.655 -34.837 -29.423 1.00 25.00 C ATOM 340 CG ARG A 435 -8.374 -33.970 -30.428 1.00 25.00 C ATOM 341 CD ARG A 435 -9.427 -34.696 -31.236 1.00 25.00 C ATOM 342 NE ARG A 435 -9.892 -33.804 -32.317 1.00 25.00 N ATOM 343 CZ ARG A 435 -9.835 -34.062 -33.620 1.00 25.00 C ATOM 344 NH1 ARG A 435 -9.392 -35.197 -34.102 1.00 25.00 N ATOM 345 NH2 ARG A 435 -10.234 -33.150 -34.461 1.00 25.00 N ATOM 0 H ARG A 435 -5.839 -33.407 -30.382 1.00 25.00 H new ATOM 0 HA ARG A 435 -7.307 -33.367 -27.916 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -7.095 -35.614 -29.943 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -8.382 -35.341 -28.787 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -8.845 -33.139 -29.903 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -7.641 -33.541 -31.111 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -9.016 -35.614 -31.655 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -10.262 -34.983 -30.597 1.00 25.00 H new ATOM 0 HE ARG A 435 -10.293 -32.909 -32.039 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -9.072 -35.930 -33.469 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -9.368 -35.348 -35.110 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -10.583 -32.256 -34.116 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -10.197 -33.330 -35.464 1.00 25.00 H new ATOM 359 N GLN A 436 -4.733 -35.366 -28.213 1.00 25.00 N ATOM 360 CA GLN A 436 -3.812 -36.191 -27.422 1.00 25.00 C ATOM 361 C GLN A 436 -3.238 -35.303 -26.325 1.00 25.00 C ATOM 362 O GLN A 436 -3.107 -35.706 -25.181 1.00 25.00 O ATOM 363 CB GLN A 436 -2.648 -36.748 -28.259 1.00 25.00 C ATOM 364 CG GLN A 436 -3.028 -37.345 -29.607 1.00 25.00 C ATOM 365 CD GLN A 436 -4.148 -38.350 -29.533 1.00 25.00 C ATOM 366 OE1 GLN A 436 -4.116 -39.290 -28.752 1.00 25.00 O ATOM 367 NE2 GLN A 436 -5.142 -38.159 -30.357 1.00 25.00 N ATOM 0 H GLN A 436 -4.437 -35.193 -29.174 1.00 25.00 H new ATOM 0 HA GLN A 436 -4.363 -37.044 -27.026 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -1.930 -35.946 -28.428 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -2.139 -37.514 -27.674 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -3.319 -36.540 -30.281 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -2.151 -37.824 -30.042 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -5.131 -37.362 -30.993 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -5.930 -38.807 -30.364 1.00 25.00 H new ATOM 376 N VAL A 437 -2.912 -34.078 -26.712 1.00 25.00 N ATOM 377 CA VAL A 437 -2.368 -33.057 -25.818 1.00 25.00 C ATOM 378 C VAL A 437 -3.346 -32.749 -24.677 1.00 25.00 C ATOM 379 O VAL A 437 -2.939 -32.593 -23.526 1.00 25.00 O ATOM 380 CB VAL A 437 -2.032 -31.790 -26.675 1.00 25.00 C ATOM 381 CG1 VAL A 437 -2.038 -30.521 -25.865 1.00 25.00 C ATOM 382 CG2 VAL A 437 -0.682 -31.981 -27.392 1.00 25.00 C ATOM 0 H VAL A 437 -3.019 -33.756 -27.674 1.00 25.00 H new ATOM 0 HA VAL A 437 -1.455 -33.415 -25.342 1.00 25.00 H new ATOM 0 HB VAL A 437 -2.821 -31.682 -27.419 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -1.799 -29.676 -26.511 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -3.025 -30.374 -25.426 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -1.295 -30.593 -25.071 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -0.457 -31.095 -27.986 1.00 25.00 H new ATOM 0 HG22 VAL A 437 0.104 -32.132 -26.653 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -0.737 -32.851 -28.046 1.00 25.00 H new ATOM 392 N LEU A 438 -4.631 -32.692 -24.990 1.00 25.00 N ATOM 393 CA LEU A 438 -5.677 -32.439 -23.994 1.00 25.00 C ATOM 394 C LEU A 438 -5.842 -33.585 -22.995 1.00 25.00 C ATOM 395 O LEU A 438 -6.504 -33.430 -21.969 1.00 25.00 O ATOM 396 CB LEU A 438 -7.009 -32.203 -24.714 1.00 25.00 C ATOM 397 CG LEU A 438 -7.212 -30.772 -25.225 1.00 25.00 C ATOM 398 CD1 LEU A 438 -8.325 -30.742 -26.265 1.00 25.00 C ATOM 399 CD2 LEU A 438 -7.553 -29.836 -24.063 1.00 25.00 C ATOM 0 H LEU A 438 -4.985 -32.819 -25.938 1.00 25.00 H new ATOM 0 HA LEU A 438 -5.375 -31.559 -23.426 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -7.078 -32.890 -25.558 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -7.824 -32.451 -24.034 1.00 25.00 H new ATOM 0 HG LEU A 438 -6.286 -30.431 -25.688 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -8.462 -29.721 -26.622 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -8.058 -31.387 -27.102 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -9.253 -31.097 -25.816 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -7.694 -28.823 -24.441 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -8.470 -30.174 -23.580 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -6.738 -29.843 -23.339 1.00 25.00 H new ATOM 720 N ALA A 462 -19.397 -32.183 -44.453 1.00 25.00 N ATOM 721 CA ALA A 462 -18.130 -32.519 -43.815 1.00 25.00 C ATOM 722 C ALA A 462 -18.383 -33.207 -42.465 1.00 25.00 C ATOM 723 O ALA A 462 -17.677 -34.145 -42.099 1.00 25.00 O ATOM 724 CB ALA A 462 -17.279 -31.255 -43.629 1.00 25.00 C ATOM 0 HA ALA A 462 -17.583 -33.210 -44.456 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.335 -31.519 -43.152 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -17.080 -30.804 -44.601 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.816 -30.544 -43.002 1.00 25.00 H new ATOM 730 N LEU A 463 -19.395 -32.757 -41.728 1.00 25.00 N ATOM 731 CA LEU A 463 -19.708 -33.357 -40.436 1.00 25.00 C ATOM 732 C LEU A 463 -20.150 -34.801 -40.617 1.00 25.00 C ATOM 733 O LEU A 463 -19.886 -35.629 -39.771 1.00 25.00 O ATOM 734 CB LEU A 463 -20.751 -32.521 -39.673 1.00 25.00 C ATOM 735 CG LEU A 463 -22.240 -32.920 -39.674 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.581 -33.988 -38.640 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.067 -31.698 -39.379 1.00 25.00 C ATOM 0 H LEU A 463 -20.006 -31.987 -42.000 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.805 -33.363 -39.826 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.431 -32.483 -38.632 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.692 -31.504 -40.062 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.457 -33.337 -40.658 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.644 -34.221 -38.695 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.001 -34.888 -38.842 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.342 -33.618 -37.643 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.124 -31.966 -39.377 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.791 -31.299 -38.403 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.886 -30.943 -40.144 1.00 25.00 H new ATOM 749 N GLN A 464 -20.800 -35.124 -41.725 1.00 25.00 N ATOM 750 CA GLN A 464 -21.179 -36.517 -41.978 1.00 25.00 C ATOM 751 C GLN A 464 -19.942 -37.419 -42.070 1.00 25.00 C ATOM 752 O GLN A 464 -19.993 -38.590 -41.703 1.00 25.00 O ATOM 753 CB GLN A 464 -22.029 -36.641 -43.243 1.00 25.00 C ATOM 754 CG GLN A 464 -23.384 -35.952 -43.124 1.00 25.00 C ATOM 755 CD GLN A 464 -24.279 -36.232 -44.308 1.00 25.00 C ATOM 756 OE1 GLN A 464 -24.465 -35.391 -45.181 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.846 -37.406 -44.341 1.00 25.00 N ATOM 0 H GLN A 464 -21.074 -34.462 -42.452 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.781 -36.850 -41.133 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.483 -36.213 -44.084 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -22.183 -37.696 -43.468 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.879 -36.285 -42.212 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -23.235 -34.876 -43.031 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.667 -38.080 -43.596 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.468 -37.650 -45.111 1.00 25.00 H new ATOM 766 N GLY A 465 -18.827 -36.866 -42.522 1.00 25.00 N ATOM 767 CA GLY A 465 -17.584 -37.609 -42.559 1.00 25.00 C ATOM 768 C GLY A 465 -17.077 -37.725 -41.140 1.00 25.00 C ATOM 769 O GLY A 465 -16.644 -38.785 -40.724 1.00 25.00 O ATOM 0 H GLY A 465 -18.761 -35.908 -42.867 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.742 -38.597 -42.991 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.852 -37.100 -43.186 1.00 25.00 H new ATOM 773 N ALA A 466 -17.159 -36.634 -40.386 1.00 25.00 N ATOM 774 CA ALA A 466 -16.737 -36.623 -38.982 1.00 25.00 C ATOM 775 C ALA A 466 -17.467 -37.707 -38.175 1.00 25.00 C ATOM 776 O ALA A 466 -16.889 -38.337 -37.310 1.00 25.00 O ATOM 777 CB ALA A 466 -16.986 -35.243 -38.362 1.00 25.00 C ATOM 0 H ALA A 466 -17.515 -35.739 -40.722 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.669 -36.839 -38.950 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.668 -35.250 -37.319 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.419 -34.490 -38.910 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.049 -35.006 -38.416 1.00 25.00 H new ATOM 783 N GLN A 467 -18.736 -37.927 -38.473 1.00 25.00 N ATOM 784 CA GLN A 467 -19.513 -38.969 -37.802 1.00 25.00 C ATOM 785 C GLN A 467 -18.997 -40.363 -38.160 1.00 25.00 C ATOM 786 O GLN A 467 -18.882 -41.235 -37.303 1.00 25.00 O ATOM 787 CB GLN A 467 -20.959 -38.881 -38.257 1.00 25.00 C ATOM 788 CG GLN A 467 -21.679 -37.603 -37.837 1.00 25.00 C ATOM 789 CD GLN A 467 -21.952 -37.518 -36.356 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.396 -38.465 -35.735 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.695 -36.368 -35.788 1.00 25.00 N ATOM 0 H GLN A 467 -19.256 -37.400 -39.175 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.422 -38.816 -36.727 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.990 -38.960 -39.344 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.504 -39.737 -37.860 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.079 -36.744 -38.137 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.624 -37.535 -38.376 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.323 -35.597 -36.343 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.867 -36.242 -34.790 1.00 25.00 H new ATOM 800 N ALA A 468 -18.699 -40.573 -39.436 1.00 25.00 N ATOM 801 CA ALA A 468 -18.227 -41.872 -39.899 1.00 25.00 C ATOM 802 C ALA A 468 -16.866 -42.188 -39.281 1.00 25.00 C ATOM 803 O ALA A 468 -16.634 -43.297 -38.795 1.00 25.00 O ATOM 804 CB ALA A 468 -18.140 -41.883 -41.434 1.00 25.00 C ATOM 0 H ALA A 468 -18.775 -39.864 -40.166 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.934 -42.640 -39.586 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.786 -42.857 -41.771 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.126 -41.689 -41.856 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.446 -41.111 -41.765 1.00 25.00 H new ATOM 810 N VAL A 469 -15.968 -41.213 -39.285 1.00 25.00 N ATOM 811 CA VAL A 469 -14.642 -41.421 -38.715 1.00 25.00 C ATOM 812 C VAL A 469 -14.748 -41.565 -37.202 1.00 25.00 C ATOM 813 O VAL A 469 -13.962 -42.275 -36.607 1.00 25.00 O ATOM 814 CB VAL A 469 -13.613 -40.302 -39.101 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.556 -40.127 -40.626 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.952 -38.979 -38.460 1.00 25.00 C ATOM 0 H VAL A 469 -16.128 -40.282 -39.670 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.251 -42.343 -39.146 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.639 -40.622 -38.730 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.837 -39.347 -40.876 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.249 -41.065 -41.089 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.541 -39.845 -40.997 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.214 -38.233 -38.754 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.941 -38.659 -38.787 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.946 -39.088 -37.375 1.00 25.00 H new ATOM 826 N ALA A 470 -15.717 -40.907 -36.573 1.00 25.00 N ATOM 827 CA ALA A 470 -15.878 -40.982 -35.119 1.00 25.00 C ATOM 828 C ALA A 470 -16.091 -42.420 -34.647 1.00 25.00 C ATOM 829 O ALA A 470 -15.680 -42.772 -33.545 1.00 25.00 O ATOM 830 CB ALA A 470 -17.038 -40.096 -34.650 1.00 25.00 C ATOM 0 H ALA A 470 -16.403 -40.316 -37.043 1.00 25.00 H new ATOM 0 HA ALA A 470 -14.953 -40.615 -34.674 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.137 -40.169 -33.567 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.840 -39.061 -34.927 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -17.963 -40.427 -35.122 1.00 25.00 H new ATOM 836 N ALA A 471 -16.709 -43.254 -35.470 1.00 25.00 N ATOM 837 CA ALA A 471 -16.899 -44.654 -35.107 1.00 25.00 C ATOM 838 C ALA A 471 -15.536 -45.354 -35.010 1.00 25.00 C ATOM 839 O ALA A 471 -15.320 -46.183 -34.133 1.00 25.00 O ATOM 840 CB ALA A 471 -17.797 -45.350 -36.138 1.00 25.00 C ATOM 0 H ALA A 471 -17.084 -42.993 -36.382 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.389 -44.711 -34.135 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.932 -46.394 -35.857 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.767 -44.854 -36.169 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.331 -45.296 -37.122 1.00 25.00 H new ATOM 846 N ALA A 472 -14.619 -45.006 -35.901 1.00 25.00 N ATOM 847 CA ALA A 472 -13.260 -45.539 -35.856 1.00 25.00 C ATOM 848 C ALA A 472 -12.472 -44.902 -34.702 1.00 25.00 C ATOM 849 O ALA A 472 -11.650 -45.550 -34.073 1.00 25.00 O ATOM 850 CB ALA A 472 -12.549 -45.289 -37.194 1.00 25.00 C ATOM 0 H ALA A 472 -14.790 -44.355 -36.667 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.312 -46.614 -35.684 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.537 -45.691 -37.149 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.099 -45.781 -37.996 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.506 -44.217 -37.388 1.00 25.00 H new ATOM 856 N GLN A 473 -12.720 -43.628 -34.438 1.00 25.00 N ATOM 857 CA GLN A 473 -11.991 -42.903 -33.399 1.00 25.00 C ATOM 858 C GLN A 473 -12.346 -43.399 -32.004 1.00 25.00 C ATOM 859 O GLN A 473 -11.471 -43.608 -31.172 1.00 25.00 O ATOM 860 CB GLN A 473 -12.289 -41.396 -33.476 1.00 25.00 C ATOM 861 CG GLN A 473 -11.866 -40.702 -34.789 1.00 25.00 C ATOM 862 CD GLN A 473 -10.442 -40.195 -34.795 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.793 -40.109 -33.769 1.00 25.00 O ATOM 864 NE2 GLN A 473 -9.962 -39.847 -35.963 1.00 25.00 N ATOM 0 H GLN A 473 -13.421 -43.071 -34.927 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.931 -43.084 -33.577 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.360 -41.247 -33.335 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.786 -40.901 -32.645 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -11.993 -41.403 -35.614 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.538 -39.865 -34.976 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.540 -39.935 -36.799 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.010 -39.488 -36.037 1.00 25.00 H new ATOM 873 N ARG A 474 -13.630 -43.603 -31.738 1.00 25.00 N ATOM 874 CA ARG A 474 -14.053 -44.100 -30.426 1.00 25.00 C ATOM 875 C ARG A 474 -13.496 -45.503 -30.229 1.00 25.00 C ATOM 876 O ARG A 474 -13.229 -45.932 -29.113 1.00 25.00 O ATOM 877 CB ARG A 474 -15.586 -44.082 -30.299 1.00 25.00 C ATOM 878 CG ARG A 474 -16.318 -45.085 -31.172 1.00 25.00 C ATOM 879 CD ARG A 474 -17.817 -44.868 -31.127 1.00 25.00 C ATOM 880 NE ARG A 474 -18.543 -45.949 -31.822 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.961 -47.083 -31.264 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.753 -47.367 -30.001 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.603 -47.950 -31.996 1.00 25.00 N ATOM 0 H ARG A 474 -14.389 -43.437 -32.398 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.662 -43.448 -29.645 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.851 -44.269 -29.258 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.943 -43.082 -30.544 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.967 -44.999 -32.200 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.085 -46.097 -30.840 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.147 -44.816 -30.089 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.061 -43.911 -31.587 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.741 -45.816 -32.814 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -18.253 -46.707 -29.405 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -19.091 -48.248 -29.614 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.779 -47.755 -32.982 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -19.930 -48.824 -31.583 1.00 25.00 H new ATOM 897 N LEU A 475 -13.313 -46.200 -31.337 1.00 25.00 N ATOM 898 CA LEU A 475 -12.754 -47.539 -31.331 1.00 25.00 C ATOM 899 C LEU A 475 -11.252 -47.502 -31.027 1.00 25.00 C ATOM 900 O LEU A 475 -10.801 -48.193 -30.125 1.00 25.00 O ATOM 901 CB LEU A 475 -13.037 -48.206 -32.689 1.00 25.00 C ATOM 902 CG LEU A 475 -11.977 -49.146 -33.280 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.827 -50.416 -32.425 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.351 -49.528 -34.699 1.00 25.00 C ATOM 0 H LEU A 475 -13.548 -45.852 -32.267 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.224 -48.127 -30.543 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.964 -48.771 -32.594 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.219 -47.414 -33.415 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.024 -48.618 -33.286 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.070 -51.064 -32.866 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.525 -50.141 -31.415 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.780 -50.944 -32.388 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.592 -50.195 -35.108 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.316 -50.034 -34.697 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.414 -48.630 -35.313 1.00 25.00 H new ATOM 916 N VAL A 476 -10.472 -46.720 -31.767 1.00 25.00 N ATOM 917 CA VAL A 476 -9.019 -46.714 -31.570 1.00 25.00 C ATOM 918 C VAL A 476 -8.699 -46.230 -30.166 1.00 25.00 C ATOM 919 O VAL A 476 -7.783 -46.736 -29.510 1.00 25.00 O ATOM 920 CB VAL A 476 -8.266 -45.889 -32.670 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.628 -44.422 -32.641 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.753 -46.061 -32.533 1.00 25.00 C ATOM 0 H VAL A 476 -10.809 -46.092 -32.496 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.655 -47.736 -31.677 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.587 -46.284 -33.634 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.079 -43.896 -33.422 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.699 -44.308 -32.810 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.367 -44.002 -31.669 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.249 -45.480 -33.306 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.435 -45.711 -31.551 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.495 -47.114 -32.644 1.00 25.00 H new ATOM 932 N HIS A 477 -9.475 -45.272 -29.686 1.00 25.00 N ATOM 933 CA HIS A 477 -9.289 -44.750 -28.358 1.00 25.00 C ATOM 934 C HIS A 477 -9.535 -45.841 -27.326 1.00 25.00 C ATOM 935 O HIS A 477 -8.847 -45.900 -26.322 1.00 25.00 O ATOM 936 CB HIS A 477 -10.228 -43.570 -28.129 1.00 25.00 C ATOM 937 CG HIS A 477 -9.893 -42.778 -26.904 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.723 -41.859 -26.313 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.766 -42.774 -26.146 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.093 -41.354 -25.252 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.897 -41.884 -25.101 1.00 25.00 N ATOM 0 H HIS A 477 -10.241 -44.844 -30.206 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.261 -44.403 -28.251 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.194 -42.913 -28.998 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.251 -43.938 -28.047 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.893 -43.381 -26.335 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.512 -40.604 -24.598 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.216 -41.680 -24.370 1.00 25.00 H new ATOM 949 N ALA A 478 -10.497 -46.723 -27.572 1.00 25.00 N ATOM 950 CA ALA A 478 -10.788 -47.784 -26.619 1.00 25.00 C ATOM 951 C ALA A 478 -9.543 -48.646 -26.391 1.00 25.00 C ATOM 952 O ALA A 478 -9.214 -48.982 -25.258 1.00 25.00 O ATOM 953 CB ALA A 478 -11.961 -48.638 -27.108 1.00 25.00 C ATOM 0 H ALA A 478 -11.079 -46.725 -28.409 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.072 -47.333 -25.668 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.164 -49.426 -26.383 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.846 -48.011 -27.220 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.709 -49.086 -28.069 1.00 25.00 H new ATOM 959 N ILE A 479 -8.839 -48.997 -27.458 1.00 25.00 N ATOM 960 CA ILE A 479 -7.644 -49.829 -27.315 1.00 25.00 C ATOM 961 C ILE A 479 -6.510 -49.009 -26.717 1.00 25.00 C ATOM 962 O ILE A 479 -5.696 -49.524 -25.960 1.00 25.00 O ATOM 963 CB ILE A 479 -7.155 -50.418 -28.654 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.303 -51.100 -29.402 1.00 25.00 C ATOM 965 CG2 ILE A 479 -6.036 -51.456 -28.417 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.518 -50.487 -30.724 1.00 25.00 C ATOM 0 H ILE A 479 -9.065 -48.727 -28.415 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.924 -50.656 -26.662 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.770 -49.592 -29.252 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.083 -52.161 -29.522 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.217 -51.029 -28.813 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.705 -51.859 -29.374 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.195 -50.977 -27.915 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.417 -52.266 -27.794 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.340 -50.993 -31.231 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.763 -49.432 -30.600 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.611 -50.581 -31.321 1.00 25.00 H new ATOM 978 N ALA A 480 -6.456 -47.723 -27.033 1.00 25.00 N ATOM 979 CA ALA A 480 -5.418 -46.852 -26.492 1.00 25.00 C ATOM 980 C ALA A 480 -5.499 -46.856 -24.960 1.00 25.00 C ATOM 981 O ALA A 480 -4.493 -46.692 -24.268 1.00 25.00 O ATOM 982 CB ALA A 480 -5.574 -45.429 -27.047 1.00 25.00 C ATOM 0 H ALA A 480 -7.115 -47.259 -27.658 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.438 -47.222 -26.793 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.793 -44.790 -26.635 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.489 -45.451 -28.133 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.551 -45.034 -26.767 1.00 25.00 H new ATOM 988 N LEU A 481 -6.697 -47.059 -24.431 1.00 25.00 N ATOM 989 CA LEU A 481 -6.878 -47.108 -22.979 1.00 25.00 C ATOM 990 C LEU A 481 -6.390 -48.429 -22.454 1.00 25.00 C ATOM 991 O LEU A 481 -5.685 -48.488 -21.466 1.00 25.00 O ATOM 992 CB LEU A 481 -8.338 -46.916 -22.598 1.00 25.00 C ATOM 993 CG LEU A 481 -8.817 -45.556 -23.082 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.326 -45.573 -23.242 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.397 -44.426 -22.151 1.00 25.00 C ATOM 0 H LEU A 481 -7.551 -47.191 -24.973 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.301 -46.296 -22.537 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.946 -47.705 -23.040 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.455 -46.990 -21.517 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.345 -45.365 -24.046 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.666 -44.597 -23.589 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.606 -46.335 -23.970 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.791 -45.799 -22.283 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.764 -43.477 -22.542 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.817 -44.596 -21.160 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.309 -44.395 -22.084 1.00 25.00 H new ATOM 1007 N MET A 482 -6.751 -49.502 -23.131 1.00 25.00 N ATOM 1008 CA MET A 482 -6.329 -50.832 -22.709 1.00 25.00 C ATOM 1009 C MET A 482 -4.831 -50.963 -22.747 1.00 25.00 C ATOM 1010 O MET A 482 -4.232 -51.687 -21.955 1.00 25.00 O ATOM 1011 CB MET A 482 -6.936 -51.889 -23.618 1.00 25.00 C ATOM 1012 CG MET A 482 -8.405 -51.779 -23.614 1.00 25.00 C ATOM 1013 SD MET A 482 -9.254 -53.302 -24.059 1.00 25.00 S ATOM 1014 CE MET A 482 -9.089 -53.278 -25.856 1.00 25.00 C ATOM 0 H MET A 482 -7.331 -49.484 -23.970 1.00 25.00 H new ATOM 0 HA MET A 482 -6.674 -50.978 -21.685 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.557 -51.767 -24.633 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.637 -52.882 -23.283 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.733 -51.469 -22.622 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.702 -50.993 -24.308 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.568 -54.162 -26.277 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.567 -52.382 -26.253 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.033 -53.275 -26.124 1.00 25.00 H new ATOM 1024 N THR A 483 -4.211 -50.253 -23.670 1.00 25.00 N ATOM 1025 CA THR A 483 -2.771 -50.395 -23.834 1.00 25.00 C ATOM 1026 C THR A 483 -2.049 -49.582 -22.786 1.00 25.00 C ATOM 1027 O THR A 483 -0.970 -49.972 -22.343 1.00 25.00 O ATOM 1028 CB THR A 483 -2.303 -50.027 -25.245 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.817 -48.748 -25.605 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.805 -51.050 -26.251 1.00 25.00 C ATOM 0 H THR A 483 -4.661 -49.591 -24.302 1.00 25.00 H new ATOM 0 HA THR A 483 -2.524 -51.448 -23.696 1.00 25.00 H new ATOM 0 HB THR A 483 -1.213 -50.010 -25.252 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.764 -48.831 -25.843 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.465 -50.776 -27.250 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.416 -52.035 -25.993 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.895 -51.074 -26.233 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.628 -48.467 -22.358 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.012 -47.705 -21.281 1.00 25.00 C ATOM 1040 C GLN A 484 -2.333 -48.335 -19.927 1.00 25.00 C ATOM 1041 O GLN A 484 -1.512 -48.269 -19.025 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.360 -46.212 -21.334 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.785 -45.846 -21.025 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.038 -44.375 -21.237 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.738 -43.562 -20.388 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.577 -44.031 -22.376 1.00 25.00 N ATOM 0 H GLN A 484 -3.497 -48.080 -22.727 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.932 -47.752 -21.422 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.712 -45.685 -20.633 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.120 -45.841 -22.330 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.456 -46.426 -21.658 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.014 -46.110 -19.992 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.815 -44.745 -23.064 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.760 -43.048 -22.577 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.491 -48.973 -19.778 1.00 25.00 N ATOM 1056 CA PHE A 485 -3.819 -49.638 -18.522 1.00 25.00 C ATOM 1057 C PHE A 485 -2.882 -50.821 -18.309 1.00 25.00 C ATOM 1058 O PHE A 485 -2.479 -51.112 -17.187 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.269 -50.111 -18.528 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.205 -49.180 -17.802 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.218 -49.146 -16.394 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.079 -48.332 -18.512 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.085 -48.267 -15.697 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.949 -47.449 -17.826 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.947 -47.413 -16.416 1.00 25.00 C ATOM 0 H PHE A 485 -4.208 -49.043 -20.500 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.694 -48.928 -17.705 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.604 -50.219 -19.560 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.323 -51.099 -18.070 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -5.560 -49.797 -15.839 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.085 -48.356 -19.592 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.085 -48.251 -14.617 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.613 -46.804 -18.382 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.602 -46.735 -15.890 1.00 25.00 H new