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 -144:sc= -0.0444 (180deg=-0.783) USER MOD Single : A 433 MET CE :methyl -135:sc= 0 (180deg=-0.29) USER MOD Single : A 434 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A 436 GLN : amide:sc= 0.0071 X(o=0.0071,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 K(o=0,f=-0.79) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 477 HIS : no HD1:sc= -0.0715 X(o=-0.072,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= -0.0177 (180deg=-0.0177) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.284 X(o=0.28,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -53.024 12.330 -33.289 1.00 25.00 N ATOM 114 CA GLU A 419 -53.869 11.859 -34.391 1.00 25.00 C ATOM 115 C GLU A 419 -53.001 11.432 -35.568 1.00 25.00 C ATOM 116 O GLU A 419 -53.330 10.491 -36.276 1.00 25.00 O ATOM 117 CB GLU A 419 -54.824 12.966 -34.858 1.00 25.00 C ATOM 118 CG GLU A 419 -55.946 13.280 -33.876 1.00 25.00 C ATOM 119 CD GLU A 419 -56.935 14.302 -34.437 1.00 25.00 C ATOM 120 OE1 GLU A 419 -57.557 14.031 -35.482 1.00 25.00 O ATOM 121 OE2 GLU A 419 -57.082 15.385 -33.835 1.00 25.00 O ATOM 0 HA GLU A 419 -54.451 11.012 -34.029 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -54.249 13.874 -35.037 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -55.263 12.673 -35.812 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -56.477 12.361 -33.628 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -55.519 13.661 -32.949 1.00 25.00 H new ATOM 128 N VAL A 420 -51.891 12.133 -35.764 1.00 25.00 N ATOM 129 CA VAL A 420 -50.964 11.852 -36.860 1.00 25.00 C ATOM 130 C VAL A 420 -50.161 10.583 -36.570 1.00 25.00 C ATOM 131 O VAL A 420 -49.944 9.759 -37.451 1.00 25.00 O ATOM 132 CB VAL A 420 -49.986 13.048 -37.084 1.00 25.00 C ATOM 133 CG1 VAL A 420 -49.122 12.828 -38.332 1.00 25.00 C ATOM 134 CG2 VAL A 420 -50.775 14.360 -37.228 1.00 25.00 C ATOM 0 H VAL A 420 -51.606 12.912 -35.170 1.00 25.00 H new ATOM 0 HA VAL A 420 -51.553 11.706 -37.765 1.00 25.00 H new ATOM 0 HB VAL A 420 -49.331 13.112 -36.215 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -48.450 13.676 -38.464 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -48.536 11.916 -38.213 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -49.765 12.735 -39.208 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -50.082 15.186 -37.384 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -51.450 14.287 -38.081 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -51.354 14.538 -36.322 1.00 25.00 H new ATOM 144 N SER A 421 -49.728 10.416 -35.329 1.00 25.00 N ATOM 145 CA SER A 421 -48.967 9.225 -34.952 1.00 25.00 C ATOM 146 C SER A 421 -49.831 7.979 -35.097 1.00 25.00 C ATOM 147 O SER A 421 -49.363 6.932 -35.531 1.00 25.00 O ATOM 148 CB SER A 421 -48.478 9.346 -33.511 1.00 25.00 C ATOM 149 OG SER A 421 -47.697 10.519 -33.348 1.00 25.00 O ATOM 0 H SER A 421 -49.886 11.080 -34.571 1.00 25.00 H new ATOM 0 HA SER A 421 -48.106 9.140 -35.615 1.00 25.00 H new ATOM 0 HB2 SER A 421 -49.331 9.373 -32.832 1.00 25.00 H new ATOM 0 HB3 SER A 421 -47.887 8.469 -33.246 1.00 25.00 H new ATOM 0 HG SER A 421 -47.393 10.583 -32.419 1.00 25.00 H new ATOM 155 N ASP A 422 -51.101 8.103 -34.744 1.00 25.00 N ATOM 156 CA ASP A 422 -52.040 6.993 -34.868 1.00 25.00 C ATOM 157 C ASP A 422 -52.424 6.778 -36.326 1.00 25.00 C ATOM 158 O ASP A 422 -52.785 5.677 -36.717 1.00 25.00 O ATOM 159 CB ASP A 422 -53.282 7.265 -34.021 1.00 25.00 C ATOM 160 CG ASP A 422 -54.219 6.071 -33.962 1.00 25.00 C ATOM 161 OD1 ASP A 422 -53.884 5.083 -33.285 1.00 25.00 O ATOM 162 OD2 ASP A 422 -55.303 6.133 -34.589 1.00 25.00 O ATOM 0 H ASP A 422 -51.508 8.960 -34.369 1.00 25.00 H new ATOM 0 HA ASP A 422 -51.560 6.084 -34.506 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -52.976 7.533 -33.010 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -53.816 8.122 -34.430 1.00 25.00 H new ATOM 167 N MET A 423 -52.324 7.822 -37.139 1.00 25.00 N ATOM 168 CA MET A 423 -52.615 7.698 -38.565 1.00 25.00 C ATOM 169 C MET A 423 -51.586 6.751 -39.160 1.00 25.00 C ATOM 170 O MET A 423 -51.927 5.834 -39.880 1.00 25.00 O ATOM 171 CB MET A 423 -52.546 9.059 -39.267 1.00 25.00 C ATOM 172 CG MET A 423 -53.439 9.164 -40.488 1.00 25.00 C ATOM 173 SD MET A 423 -53.198 10.721 -41.404 1.00 25.00 S ATOM 174 CE MET A 423 -53.580 11.979 -40.182 1.00 25.00 C ATOM 0 H MET A 423 -52.046 8.757 -36.841 1.00 25.00 H new ATOM 0 HA MET A 423 -53.626 7.314 -38.704 1.00 25.00 H new ATOM 0 HB2 MET A 423 -52.824 9.838 -38.557 1.00 25.00 H new ATOM 0 HB3 MET A 423 -51.515 9.252 -39.565 1.00 25.00 H new ATOM 0 HG2 MET A 423 -53.241 8.322 -41.152 1.00 25.00 H new ATOM 0 HG3 MET A 423 -54.481 9.087 -40.178 1.00 25.00 H new ATOM 0 HE1 MET A 423 -54.082 12.816 -40.667 1.00 25.00 H new ATOM 0 HE2 MET A 423 -54.233 11.557 -39.417 1.00 25.00 H new ATOM 0 HE3 MET A 423 -52.657 12.328 -39.719 1.00 25.00 H new ATOM 184 N ALA A 424 -50.324 6.965 -38.823 1.00 25.00 N ATOM 185 CA ALA A 424 -49.251 6.127 -39.346 1.00 25.00 C ATOM 186 C ALA A 424 -49.425 4.675 -38.882 1.00 25.00 C ATOM 187 O ALA A 424 -49.093 3.735 -39.604 1.00 25.00 O ATOM 188 CB ALA A 424 -47.896 6.679 -38.889 1.00 25.00 C ATOM 0 H ALA A 424 -50.016 7.706 -38.194 1.00 25.00 H new ATOM 0 HA ALA A 424 -49.291 6.140 -40.435 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -47.096 6.051 -39.281 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -47.774 7.696 -39.260 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -47.853 6.683 -37.800 1.00 25.00 H new ATOM 194 N ALA A 425 -49.941 4.500 -37.674 1.00 25.00 N ATOM 195 CA ALA A 425 -50.150 3.167 -37.124 1.00 25.00 C ATOM 196 C ALA A 425 -51.235 2.407 -37.894 1.00 25.00 C ATOM 197 O ALA A 425 -51.045 1.249 -38.264 1.00 25.00 O ATOM 198 CB ALA A 425 -50.526 3.270 -35.639 1.00 25.00 C ATOM 0 H ALA A 425 -50.222 5.262 -37.057 1.00 25.00 H new ATOM 0 HA ALA A 425 -49.219 2.608 -37.224 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -50.681 2.270 -35.233 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -49.721 3.763 -35.093 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -51.443 3.850 -35.535 1.00 25.00 H new ATOM 204 N VAL A 426 -52.373 3.049 -38.127 1.00 25.00 N ATOM 205 CA VAL A 426 -53.479 2.396 -38.824 1.00 25.00 C ATOM 206 C VAL A 426 -53.147 2.207 -40.297 1.00 25.00 C ATOM 207 O VAL A 426 -53.510 1.199 -40.884 1.00 25.00 O ATOM 208 CB VAL A 426 -54.815 3.170 -38.607 1.00 25.00 C ATOM 209 CG1 VAL A 426 -54.830 4.543 -39.269 1.00 25.00 C ATOM 210 CG2 VAL A 426 -55.997 2.341 -39.080 1.00 25.00 C ATOM 0 H VAL A 426 -52.556 4.013 -37.847 1.00 25.00 H new ATOM 0 HA VAL A 426 -53.622 1.403 -38.398 1.00 25.00 H new ATOM 0 HB VAL A 426 -54.899 3.341 -37.534 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -55.788 5.028 -39.079 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -54.026 5.154 -38.858 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -54.687 4.430 -40.344 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -56.920 2.899 -38.920 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -55.885 2.121 -40.142 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -56.035 1.408 -38.518 1.00 25.00 H new ATOM 220 N GLU A 427 -52.434 3.158 -40.877 1.00 25.00 N ATOM 221 CA GLU A 427 -51.993 3.056 -42.270 1.00 25.00 C ATOM 222 C GLU A 427 -51.137 1.805 -42.449 1.00 25.00 C ATOM 223 O GLU A 427 -51.341 1.028 -43.376 1.00 25.00 O ATOM 224 CB GLU A 427 -51.152 4.273 -42.668 1.00 25.00 C ATOM 225 CG GLU A 427 -51.949 5.511 -43.059 1.00 25.00 C ATOM 226 CD GLU A 427 -51.036 6.715 -43.281 1.00 25.00 C ATOM 227 OE1 GLU A 427 -50.210 6.675 -44.221 1.00 25.00 O ATOM 228 OE2 GLU A 427 -51.135 7.698 -42.511 1.00 25.00 O ATOM 0 H GLU A 427 -52.144 4.016 -40.407 1.00 25.00 H new ATOM 0 HA GLU A 427 -52.881 3.007 -42.900 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -50.497 4.530 -41.836 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -50.511 3.994 -43.504 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -52.515 5.309 -43.969 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -52.673 5.741 -42.278 1.00 25.00 H new ATOM 235 N ALA A 428 -50.181 1.602 -41.555 1.00 25.00 N ATOM 236 CA ALA A 428 -49.311 0.435 -41.642 1.00 25.00 C ATOM 237 C ALA A 428 -50.126 -0.848 -41.452 1.00 25.00 C ATOM 238 O ALA A 428 -49.891 -1.856 -42.128 1.00 25.00 O ATOM 239 CB ALA A 428 -48.203 0.530 -40.587 1.00 25.00 C ATOM 0 H ALA A 428 -49.988 2.222 -40.768 1.00 25.00 H new ATOM 0 HA ALA A 428 -48.851 0.407 -42.630 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -47.557 -0.345 -40.658 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -47.614 1.431 -40.758 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -48.649 0.572 -39.593 1.00 25.00 H new ATOM 245 N ALA A 429 -51.082 -0.800 -40.536 1.00 25.00 N ATOM 246 CA ALA A 429 -51.915 -1.955 -40.244 1.00 25.00 C ATOM 247 C ALA A 429 -52.784 -2.337 -41.443 1.00 25.00 C ATOM 248 O ALA A 429 -52.856 -3.503 -41.809 1.00 25.00 O ATOM 249 CB ALA A 429 -52.797 -1.667 -39.024 1.00 25.00 C ATOM 0 H ALA A 429 -51.300 0.028 -39.982 1.00 25.00 H new ATOM 0 HA ALA A 429 -51.259 -2.798 -40.027 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -53.419 -2.537 -38.811 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -52.166 -1.452 -38.162 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -53.434 -0.807 -39.231 1.00 25.00 H new ATOM 255 N GLU A 430 -53.454 -1.374 -42.055 1.00 25.00 N ATOM 256 CA GLU A 430 -54.330 -1.689 -43.180 1.00 25.00 C ATOM 257 C GLU A 430 -53.509 -2.123 -44.391 1.00 25.00 C ATOM 258 O GLU A 430 -53.962 -2.952 -45.179 1.00 25.00 O ATOM 259 CB GLU A 430 -55.299 -0.541 -43.508 1.00 25.00 C ATOM 260 CG GLU A 430 -54.685 0.714 -44.094 1.00 25.00 C ATOM 261 CD GLU A 430 -55.739 1.785 -44.343 1.00 25.00 C ATOM 262 OE1 GLU A 430 -56.099 2.006 -45.522 1.00 25.00 O ATOM 263 OE2 GLU A 430 -56.218 2.400 -43.362 1.00 25.00 O ATOM 0 H GLU A 430 -53.413 -0.387 -41.802 1.00 25.00 H new ATOM 0 HA GLU A 430 -54.959 -2.529 -42.887 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -56.046 -0.915 -44.208 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -55.827 -0.268 -42.594 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -53.925 1.100 -43.415 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -54.182 0.472 -45.030 1.00 25.00 H new ATOM 270 N LEU A 431 -52.299 -1.599 -44.540 1.00 25.00 N ATOM 271 CA LEU A 431 -51.431 -2.015 -45.639 1.00 25.00 C ATOM 272 C LEU A 431 -51.063 -3.491 -45.508 1.00 25.00 C ATOM 273 O LEU A 431 -51.099 -4.229 -46.499 1.00 25.00 O ATOM 274 CB LEU A 431 -50.154 -1.169 -45.678 1.00 25.00 C ATOM 275 CG LEU A 431 -50.289 0.209 -46.350 1.00 25.00 C ATOM 276 CD1 LEU A 431 -49.047 1.048 -46.053 1.00 25.00 C ATOM 277 CD2 LEU A 431 -50.470 0.077 -47.870 1.00 25.00 C ATOM 0 H LEU A 431 -51.898 -0.893 -43.923 1.00 25.00 H new ATOM 0 HA LEU A 431 -51.980 -1.866 -46.569 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -49.806 -1.022 -44.656 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -49.381 -1.734 -46.200 1.00 25.00 H new ATOM 0 HG LEU A 431 -51.175 0.698 -45.945 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -49.144 2.023 -46.530 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -48.946 1.179 -44.976 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -48.164 0.541 -46.442 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -50.562 1.069 -48.313 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -49.606 -0.432 -48.297 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -51.371 -0.500 -48.080 1.00 25.00 H new ATOM 289 N GLU A 432 -50.722 -3.952 -44.310 1.00 25.00 N ATOM 290 CA GLU A 432 -50.403 -5.372 -44.154 1.00 25.00 C ATOM 291 C GLU A 432 -51.682 -6.205 -44.237 1.00 25.00 C ATOM 292 O GLU A 432 -51.660 -7.321 -44.739 1.00 25.00 O ATOM 293 CB GLU A 432 -49.595 -5.682 -42.881 1.00 25.00 C ATOM 294 CG GLU A 432 -50.343 -5.590 -41.554 1.00 25.00 C ATOM 295 CD GLU A 432 -49.558 -6.239 -40.423 1.00 25.00 C ATOM 296 OE1 GLU A 432 -49.218 -5.548 -39.440 1.00 25.00 O ATOM 297 OE2 GLU A 432 -49.290 -7.461 -40.520 1.00 25.00 O ATOM 0 H GLU A 432 -50.659 -3.391 -43.460 1.00 25.00 H new ATOM 0 HA GLU A 432 -49.747 -5.649 -44.979 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -49.188 -6.689 -42.973 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -48.747 -4.998 -42.842 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -50.531 -4.544 -41.313 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -51.314 -6.075 -41.649 1.00 25.00 H new ATOM 304 N MET A 433 -52.805 -5.661 -43.782 1.00 25.00 N ATOM 305 CA MET A 433 -54.080 -6.372 -43.880 1.00 25.00 C ATOM 306 C MET A 433 -54.399 -6.609 -45.351 1.00 25.00 C ATOM 307 O MET A 433 -54.860 -7.681 -45.732 1.00 25.00 O ATOM 308 CB MET A 433 -55.211 -5.563 -43.237 1.00 25.00 C ATOM 309 CG MET A 433 -56.049 -6.355 -42.243 1.00 25.00 C ATOM 310 SD MET A 433 -55.113 -6.822 -40.762 1.00 25.00 S ATOM 311 CE MET A 433 -55.052 -5.237 -39.828 1.00 25.00 C ATOM 0 H MET A 433 -52.862 -4.741 -43.346 1.00 25.00 H new ATOM 0 HA MET A 433 -53.996 -7.321 -43.351 1.00 25.00 H new ATOM 0 HB2 MET A 433 -54.783 -4.699 -42.729 1.00 25.00 H new ATOM 0 HB3 MET A 433 -55.863 -5.180 -44.023 1.00 25.00 H new ATOM 0 HG2 MET A 433 -56.915 -5.762 -41.949 1.00 25.00 H new ATOM 0 HG3 MET A 433 -56.428 -7.255 -42.728 1.00 25.00 H new ATOM 0 HE1 MET A 433 -54.042 -5.075 -39.452 1.00 25.00 H new ATOM 0 HE2 MET A 433 -55.330 -4.415 -40.488 1.00 25.00 H new ATOM 0 HE3 MET A 433 -55.748 -5.281 -38.990 1.00 25.00 H new ATOM 321 N THR A 434 -54.132 -5.605 -46.176 1.00 25.00 N ATOM 322 CA THR A 434 -54.355 -5.696 -47.618 1.00 25.00 C ATOM 323 C THR A 434 -53.449 -6.766 -48.222 1.00 25.00 C ATOM 324 O THR A 434 -53.859 -7.506 -49.110 1.00 25.00 O ATOM 325 CB THR A 434 -54.092 -4.331 -48.306 1.00 25.00 C ATOM 326 OG1 THR A 434 -54.920 -3.333 -47.705 1.00 25.00 O ATOM 327 CG2 THR A 434 -54.431 -4.372 -49.786 1.00 25.00 C ATOM 0 H THR A 434 -53.756 -4.708 -45.869 1.00 25.00 H new ATOM 0 HA THR A 434 -55.396 -5.971 -47.785 1.00 25.00 H new ATOM 0 HB THR A 434 -53.033 -4.104 -48.186 1.00 25.00 H new ATOM 0 HG1 THR A 434 -54.645 -3.196 -46.774 1.00 25.00 H new ATOM 0 HG21 THR A 434 -54.233 -3.397 -50.232 1.00 25.00 H new ATOM 0 HG22 THR A 434 -53.819 -5.127 -50.279 1.00 25.00 H new ATOM 0 HG23 THR A 434 -55.485 -4.621 -49.911 1.00 25.00 H new ATOM 335 N ARG A 435 -52.223 -6.885 -47.736 1.00 25.00 N ATOM 336 CA ARG A 435 -51.335 -7.934 -48.245 1.00 25.00 C ATOM 337 C ARG A 435 -51.890 -9.284 -47.867 1.00 25.00 C ATOM 338 O ARG A 435 -51.969 -10.183 -48.692 1.00 25.00 O ATOM 339 CB ARG A 435 -49.931 -7.821 -47.665 1.00 25.00 C ATOM 340 CG ARG A 435 -49.099 -6.759 -48.324 1.00 25.00 C ATOM 341 CD ARG A 435 -47.613 -7.017 -48.096 1.00 25.00 C ATOM 342 NE ARG A 435 -47.174 -8.263 -48.758 1.00 25.00 N ATOM 343 CZ ARG A 435 -45.982 -8.829 -48.622 1.00 25.00 C ATOM 344 NH1 ARG A 435 -45.042 -8.311 -47.869 1.00 25.00 N ATOM 345 NH2 ARG A 435 -45.737 -9.942 -49.249 1.00 25.00 N ATOM 0 H ARG A 435 -51.823 -6.290 -47.011 1.00 25.00 H new ATOM 0 HA ARG A 435 -51.277 -7.817 -49.327 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -50.002 -7.607 -46.599 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -49.426 -8.782 -47.764 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -49.309 -6.737 -49.393 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -49.368 -5.781 -47.926 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -47.034 -6.177 -48.478 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -47.413 -7.082 -47.026 1.00 25.00 H new ATOM 0 HE ARG A 435 -47.844 -8.727 -49.371 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -45.215 -7.443 -47.362 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -44.138 -8.776 -47.790 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -46.456 -10.367 -49.835 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -44.826 -10.390 -49.155 1.00 25.00 H new ATOM 359 N GLN A 436 -52.277 -9.410 -46.616 1.00 25.00 N ATOM 360 CA GLN A 436 -52.800 -10.665 -46.096 1.00 25.00 C ATOM 361 C GLN A 436 -54.007 -11.156 -46.888 1.00 25.00 C ATOM 362 O GLN A 436 -54.089 -12.335 -47.218 1.00 25.00 O ATOM 363 CB GLN A 436 -53.177 -10.502 -44.622 1.00 25.00 C ATOM 364 CG GLN A 436 -52.115 -10.998 -43.647 1.00 25.00 C ATOM 365 CD GLN A 436 -50.882 -10.103 -43.564 1.00 25.00 C ATOM 366 OE1 GLN A 436 -50.045 -10.085 -44.460 1.00 25.00 O ATOM 367 NE2 GLN A 436 -50.765 -9.375 -42.482 1.00 25.00 N ATOM 0 H GLN A 436 -52.241 -8.655 -45.931 1.00 25.00 H new ATOM 0 HA GLN A 436 -52.014 -11.414 -46.196 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -53.373 -9.448 -44.423 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -54.106 -11.040 -44.434 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -52.558 -11.081 -42.655 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -51.805 -12.000 -43.943 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -51.483 -9.418 -41.759 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -49.956 -8.765 -42.363 1.00 25.00 H new ATOM 376 N VAL A 437 -54.936 -10.268 -47.209 1.00 25.00 N ATOM 377 CA VAL A 437 -56.119 -10.672 -47.980 1.00 25.00 C ATOM 378 C VAL A 437 -55.806 -10.997 -49.442 1.00 25.00 C ATOM 379 O VAL A 437 -56.399 -11.901 -50.014 1.00 25.00 O ATOM 380 CB VAL A 437 -57.266 -9.616 -47.922 1.00 25.00 C ATOM 381 CG1 VAL A 437 -57.785 -9.482 -46.481 1.00 25.00 C ATOM 382 CG2 VAL A 437 -56.853 -8.261 -48.443 1.00 25.00 C ATOM 0 H VAL A 437 -54.903 -9.280 -46.957 1.00 25.00 H new ATOM 0 HA VAL A 437 -56.459 -11.586 -47.494 1.00 25.00 H new ATOM 0 HB VAL A 437 -58.058 -9.979 -48.577 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -58.585 -8.743 -46.450 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -58.167 -10.445 -46.141 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -56.971 -9.163 -45.829 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -57.696 -7.573 -48.375 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -56.024 -7.879 -47.847 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -56.541 -8.351 -49.483 1.00 25.00 H new ATOM 392 N LEU A 438 -54.872 -10.274 -50.039 1.00 25.00 N ATOM 393 CA LEU A 438 -54.477 -10.526 -51.432 1.00 25.00 C ATOM 394 C LEU A 438 -53.689 -11.826 -51.593 1.00 25.00 C ATOM 395 O LEU A 438 -53.824 -12.513 -52.599 1.00 25.00 O ATOM 396 CB LEU A 438 -53.628 -9.366 -51.967 1.00 25.00 C ATOM 397 CG LEU A 438 -54.378 -8.059 -52.284 1.00 25.00 C ATOM 398 CD1 LEU A 438 -53.361 -6.964 -52.610 1.00 25.00 C ATOM 399 CD2 LEU A 438 -55.347 -8.226 -53.460 1.00 25.00 C ATOM 0 H LEU A 438 -54.370 -9.508 -49.590 1.00 25.00 H new ATOM 0 HA LEU A 438 -55.402 -10.615 -52.002 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -52.851 -9.145 -51.235 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -53.125 -9.700 -52.875 1.00 25.00 H new ATOM 0 HG LEU A 438 -54.966 -7.785 -51.408 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -53.886 -6.036 -52.836 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -52.704 -6.811 -51.754 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -52.767 -7.264 -53.473 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -55.855 -7.281 -53.650 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -54.792 -8.525 -54.349 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -56.084 -8.992 -53.218 1.00 25.00 H new ATOM 720 N ALA A 462 -18.219 -32.772 -45.233 1.00 25.00 N ATOM 721 CA ALA A 462 -17.299 -32.876 -44.114 1.00 25.00 C ATOM 722 C ALA A 462 -17.950 -33.657 -42.973 1.00 25.00 C ATOM 723 O ALA A 462 -17.326 -34.538 -42.389 1.00 25.00 O ATOM 724 CB ALA A 462 -16.897 -31.482 -43.640 1.00 25.00 C ATOM 0 HA ALA A 462 -16.404 -33.409 -44.436 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.207 -31.568 -42.801 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.411 -30.946 -44.456 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.785 -30.935 -43.325 1.00 25.00 H new ATOM 730 N LEU A 463 -19.203 -33.347 -42.658 1.00 25.00 N ATOM 731 CA LEU A 463 -19.891 -34.034 -41.574 1.00 25.00 C ATOM 732 C LEU A 463 -20.108 -35.505 -41.916 1.00 25.00 C ATOM 733 O LEU A 463 -19.980 -36.347 -41.047 1.00 25.00 O ATOM 734 CB LEU A 463 -21.195 -33.308 -41.196 1.00 25.00 C ATOM 735 CG LEU A 463 -22.565 -33.775 -41.726 1.00 25.00 C ATOM 736 CD1 LEU A 463 -23.156 -34.919 -40.904 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.516 -32.599 -41.691 1.00 25.00 C ATOM 0 H LEU A 463 -19.756 -32.633 -43.132 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.257 -34.009 -40.687 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -21.258 -33.317 -40.108 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -21.077 -32.268 -41.500 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.423 -34.147 -42.741 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -24.120 -35.207 -41.322 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.479 -35.773 -40.930 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -23.291 -34.594 -39.872 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.492 -32.910 -42.063 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.615 -32.241 -40.666 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.127 -31.798 -42.319 1.00 25.00 H new ATOM 749 N GLN A 464 -20.406 -35.833 -43.169 1.00 25.00 N ATOM 750 CA GLN A 464 -20.566 -37.237 -43.555 1.00 25.00 C ATOM 751 C GLN A 464 -19.306 -38.035 -43.243 1.00 25.00 C ATOM 752 O GLN A 464 -19.372 -39.177 -42.791 1.00 25.00 O ATOM 753 CB GLN A 464 -20.915 -37.354 -45.038 1.00 25.00 C ATOM 754 CG GLN A 464 -22.308 -36.846 -45.352 1.00 25.00 C ATOM 755 CD GLN A 464 -22.698 -37.076 -46.785 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.155 -36.486 -47.714 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.650 -37.933 -46.971 1.00 25.00 N ATOM 0 H GLN A 464 -20.540 -35.162 -43.925 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.388 -37.653 -42.972 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.187 -36.793 -45.624 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -20.835 -38.397 -45.345 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.027 -37.342 -44.700 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.360 -35.780 -45.132 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.076 -38.403 -46.172 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -23.974 -38.138 -47.916 1.00 25.00 H new ATOM 766 N GLY A 465 -18.160 -37.416 -43.462 1.00 25.00 N ATOM 767 CA GLY A 465 -16.899 -38.049 -43.139 1.00 25.00 C ATOM 768 C GLY A 465 -16.743 -38.128 -41.639 1.00 25.00 C ATOM 769 O GLY A 465 -16.407 -39.175 -41.107 1.00 25.00 O ATOM 0 H GLY A 465 -18.079 -36.480 -43.860 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -16.861 -39.049 -43.572 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.074 -37.482 -43.571 1.00 25.00 H new ATOM 773 N ALA A 466 -17.006 -37.021 -40.956 1.00 25.00 N ATOM 774 CA ALA A 466 -16.883 -36.943 -39.501 1.00 25.00 C ATOM 775 C ALA A 466 -17.672 -38.048 -38.792 1.00 25.00 C ATOM 776 O ALA A 466 -17.211 -38.606 -37.811 1.00 25.00 O ATOM 777 CB ALA A 466 -17.353 -35.570 -39.015 1.00 25.00 C ATOM 0 H ALA A 466 -17.311 -36.151 -41.392 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.831 -37.085 -39.252 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -17.260 -35.516 -37.930 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.739 -34.793 -39.471 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.395 -35.421 -39.297 1.00 25.00 H new ATOM 783 N GLN A 467 -18.852 -38.365 -39.296 1.00 25.00 N ATOM 784 CA GLN A 467 -19.678 -39.413 -38.702 1.00 25.00 C ATOM 785 C GLN A 467 -19.011 -40.780 -38.829 1.00 25.00 C ATOM 786 O GLN A 467 -18.936 -41.545 -37.867 1.00 25.00 O ATOM 787 CB GLN A 467 -21.015 -39.470 -39.429 1.00 25.00 C ATOM 788 CG GLN A 467 -21.901 -38.234 -39.242 1.00 25.00 C ATOM 789 CD GLN A 467 -22.520 -38.122 -37.866 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.621 -39.085 -37.126 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.947 -36.934 -37.526 1.00 25.00 N ATOM 0 H GLN A 467 -19.263 -37.915 -40.114 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.814 -39.178 -37.646 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.828 -39.608 -40.494 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.562 -40.348 -39.085 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.306 -37.341 -39.435 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.697 -38.254 -39.986 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.845 -36.151 -38.172 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -23.382 -36.790 -36.615 1.00 25.00 H new ATOM 800 N ALA A 468 -18.537 -41.089 -40.028 1.00 25.00 N ATOM 801 CA ALA A 468 -17.925 -42.383 -40.293 1.00 25.00 C ATOM 802 C ALA A 468 -16.634 -42.546 -39.490 1.00 25.00 C ATOM 803 O ALA A 468 -16.386 -43.595 -38.892 1.00 25.00 O ATOM 804 CB ALA A 468 -17.644 -42.528 -41.796 1.00 25.00 C ATOM 0 H ALA A 468 -18.565 -40.462 -40.832 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.616 -43.167 -39.984 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.186 -43.498 -41.989 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.580 -42.452 -42.350 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -16.967 -41.737 -42.118 1.00 25.00 H new ATOM 810 N VAL A 469 -15.811 -41.509 -39.472 1.00 25.00 N ATOM 811 CA VAL A 469 -14.543 -41.588 -38.757 1.00 25.00 C ATOM 812 C VAL A 469 -14.773 -41.617 -37.256 1.00 25.00 C ATOM 813 O VAL A 469 -14.006 -42.231 -36.551 1.00 25.00 O ATOM 814 CB VAL A 469 -13.551 -40.439 -39.132 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.327 -40.410 -40.642 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.044 -39.090 -38.661 1.00 25.00 C ATOM 0 H VAL A 469 -15.991 -40.618 -39.934 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.074 -42.521 -39.070 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.608 -40.644 -38.625 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.635 -39.606 -40.892 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -12.909 -41.363 -40.966 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.278 -40.240 -41.148 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.325 -38.321 -38.943 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.007 -38.873 -39.123 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.157 -39.102 -37.577 1.00 25.00 H new ATOM 826 N ALA A 470 -15.823 -40.973 -36.762 1.00 25.00 N ATOM 827 CA ALA A 470 -16.087 -40.937 -35.318 1.00 25.00 C ATOM 828 C ALA A 470 -16.215 -42.345 -34.739 1.00 25.00 C ATOM 829 O ALA A 470 -15.763 -42.605 -33.621 1.00 25.00 O ATOM 830 CB ALA A 470 -17.352 -40.126 -35.021 1.00 25.00 C ATOM 0 H ALA A 470 -16.505 -40.470 -37.330 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.236 -40.451 -34.840 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.531 -40.111 -33.946 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.223 -39.105 -35.382 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.204 -40.583 -35.524 1.00 25.00 H new ATOM 836 N ALA A 471 -16.813 -43.252 -35.499 1.00 25.00 N ATOM 837 CA ALA A 471 -16.949 -44.636 -35.057 1.00 25.00 C ATOM 838 C ALA A 471 -15.563 -45.281 -34.930 1.00 25.00 C ATOM 839 O ALA A 471 -15.317 -46.063 -34.019 1.00 25.00 O ATOM 840 CB ALA A 471 -17.823 -45.418 -36.045 1.00 25.00 C ATOM 0 H ALA A 471 -17.210 -43.058 -36.418 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.431 -44.656 -34.080 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.919 -46.450 -35.708 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.811 -44.960 -36.099 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.361 -45.401 -37.032 1.00 25.00 H new ATOM 846 N ALA A 472 -14.661 -44.939 -35.837 1.00 25.00 N ATOM 847 CA ALA A 472 -13.296 -45.450 -35.784 1.00 25.00 C ATOM 848 C ALA A 472 -12.508 -44.797 -34.639 1.00 25.00 C ATOM 849 O ALA A 472 -11.702 -45.448 -33.995 1.00 25.00 O ATOM 850 CB ALA A 472 -12.590 -45.213 -37.128 1.00 25.00 C ATOM 0 H ALA A 472 -14.847 -44.311 -36.619 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.338 -46.522 -35.593 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.572 -45.598 -37.077 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.134 -45.728 -37.920 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.563 -44.144 -37.341 1.00 25.00 H new ATOM 856 N GLN A 473 -12.735 -43.515 -34.386 1.00 25.00 N ATOM 857 CA GLN A 473 -12.017 -42.812 -33.324 1.00 25.00 C ATOM 858 C GLN A 473 -12.377 -43.346 -31.947 1.00 25.00 C ATOM 859 O GLN A 473 -11.506 -43.596 -31.121 1.00 25.00 O ATOM 860 CB GLN A 473 -12.328 -41.305 -33.327 1.00 25.00 C ATOM 861 CG GLN A 473 -11.992 -40.549 -34.609 1.00 25.00 C ATOM 862 CD GLN A 473 -10.516 -40.415 -34.890 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.677 -40.614 -34.031 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.199 -40.061 -36.109 1.00 25.00 N ATOM 0 H GLN A 473 -13.406 -42.941 -34.897 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.959 -42.980 -33.526 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.390 -41.174 -33.121 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.784 -40.842 -32.504 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.464 -41.058 -35.450 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.430 -39.552 -34.553 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.932 -39.903 -36.801 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.219 -39.943 -36.367 1.00 25.00 H new ATOM 873 N ARG A 474 -13.665 -43.531 -31.690 1.00 25.00 N ATOM 874 CA ARG A 474 -14.094 -44.055 -30.388 1.00 25.00 C ATOM 875 C ARG A 474 -13.559 -45.470 -30.207 1.00 25.00 C ATOM 876 O ARG A 474 -13.326 -45.918 -29.091 1.00 25.00 O ATOM 877 CB ARG A 474 -15.623 -44.009 -30.236 1.00 25.00 C ATOM 878 CG ARG A 474 -16.405 -44.897 -31.188 1.00 25.00 C ATOM 879 CD ARG A 474 -17.904 -44.679 -31.050 1.00 25.00 C ATOM 880 NE ARG A 474 -18.401 -45.091 -29.724 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.655 -44.970 -29.303 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.598 -44.447 -30.050 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.965 -45.378 -28.103 1.00 25.00 N ATOM 0 H ARG A 474 -14.421 -43.333 -32.346 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.682 -43.420 -29.603 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.877 -44.290 -29.214 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.953 -42.979 -30.374 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.099 -44.691 -32.214 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.169 -45.942 -30.989 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.134 -43.626 -31.213 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.425 -45.242 -31.824 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.727 -45.502 -29.078 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.380 -44.116 -30.990 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.550 -44.371 -29.691 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.248 -45.784 -27.501 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.924 -45.291 -27.767 1.00 25.00 H new ATOM 897 N LEU A 475 -13.355 -46.154 -31.320 1.00 25.00 N ATOM 898 CA LEU A 475 -12.792 -47.493 -31.317 1.00 25.00 C ATOM 899 C LEU A 475 -11.287 -47.453 -31.013 1.00 25.00 C ATOM 900 O LEU A 475 -10.834 -48.156 -30.122 1.00 25.00 O ATOM 901 CB LEU A 475 -13.069 -48.157 -32.679 1.00 25.00 C ATOM 902 CG LEU A 475 -11.994 -49.061 -33.300 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.801 -50.344 -32.476 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.377 -49.426 -34.721 1.00 25.00 C ATOM 0 H LEU A 475 -13.575 -45.797 -32.250 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.263 -48.083 -30.531 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.978 -48.750 -32.577 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.284 -47.363 -33.394 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.055 -48.508 -33.304 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.034 -50.963 -32.941 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.493 -50.083 -31.464 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.740 -50.897 -32.438 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.608 -50.067 -35.152 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.330 -49.955 -34.716 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.469 -48.518 -35.318 1.00 25.00 H new ATOM 916 N VAL A 476 -10.510 -46.657 -31.739 1.00 25.00 N ATOM 917 CA VAL A 476 -9.053 -46.660 -31.556 1.00 25.00 C ATOM 918 C VAL A 476 -8.707 -46.202 -30.147 1.00 25.00 C ATOM 919 O VAL A 476 -7.778 -46.710 -29.518 1.00 25.00 O ATOM 920 CB VAL A 476 -8.307 -45.821 -32.648 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.663 -44.353 -32.596 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.791 -45.998 -32.524 1.00 25.00 C ATOM 0 H VAL A 476 -10.851 -46.010 -32.450 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.701 -47.684 -31.683 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.638 -46.202 -33.614 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.118 -43.819 -33.374 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.735 -44.233 -32.756 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.394 -43.948 -31.621 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.292 -45.407 -33.292 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.465 -45.663 -31.539 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.536 -47.050 -32.653 1.00 25.00 H new ATOM 932 N HIS A 477 -9.481 -45.259 -29.642 1.00 25.00 N ATOM 933 CA HIS A 477 -9.284 -44.751 -28.310 1.00 25.00 C ATOM 934 C HIS A 477 -9.494 -45.858 -27.288 1.00 25.00 C ATOM 935 O HIS A 477 -8.806 -45.900 -26.284 1.00 25.00 O ATOM 936 CB HIS A 477 -10.253 -43.602 -28.059 1.00 25.00 C ATOM 937 CG HIS A 477 -9.930 -42.811 -26.832 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.794 -41.950 -26.205 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.784 -42.751 -26.104 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.168 -41.424 -25.155 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.936 -41.879 -25.046 1.00 25.00 N ATOM 0 H HIS A 477 -10.258 -44.830 -30.145 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.262 -44.385 -28.210 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.248 -42.937 -28.923 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.263 -44.001 -27.970 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.884 -43.306 -26.322 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.614 -40.712 -24.476 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.246 -41.639 -24.335 1.00 25.00 H new ATOM 949 N ALA A 478 -10.427 -46.766 -27.545 1.00 25.00 N ATOM 950 CA ALA A 478 -10.688 -47.845 -26.605 1.00 25.00 C ATOM 951 C ALA A 478 -9.426 -48.687 -26.408 1.00 25.00 C ATOM 952 O ALA A 478 -9.056 -48.994 -25.283 1.00 25.00 O ATOM 953 CB ALA A 478 -11.847 -48.716 -27.099 1.00 25.00 C ATOM 0 H ALA A 478 -11.007 -46.777 -28.384 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.971 -47.414 -25.645 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.029 -49.519 -26.384 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.745 -48.106 -27.196 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.593 -49.144 -28.068 1.00 25.00 H new ATOM 959 N ILE A 479 -8.759 -49.049 -27.496 1.00 25.00 N ATOM 960 CA ILE A 479 -7.557 -49.881 -27.397 1.00 25.00 C ATOM 961 C ILE A 479 -6.431 -49.084 -26.768 1.00 25.00 C ATOM 962 O ILE A 479 -5.638 -49.618 -26.010 1.00 25.00 O ATOM 963 CB ILE A 479 -7.072 -50.399 -28.767 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.213 -51.098 -29.508 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.896 -51.393 -28.606 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.507 -50.435 -30.786 1.00 25.00 C ATOM 0 H ILE A 479 -9.021 -48.787 -28.446 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.826 -50.741 -26.783 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.732 -49.537 -29.340 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.947 -52.139 -29.689 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.107 -51.101 -28.884 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.576 -51.741 -29.588 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.064 -50.895 -28.109 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.219 -52.245 -28.007 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.322 -50.956 -31.287 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.797 -49.401 -30.601 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.620 -50.455 -31.419 1.00 25.00 H new ATOM 978 N ALA A 480 -6.377 -47.795 -27.068 1.00 25.00 N ATOM 979 CA ALA A 480 -5.341 -46.928 -26.521 1.00 25.00 C ATOM 980 C ALA A 480 -5.397 -46.950 -24.990 1.00 25.00 C ATOM 981 O ALA A 480 -4.400 -46.721 -24.327 1.00 25.00 O ATOM 982 CB ALA A 480 -5.516 -45.499 -27.056 1.00 25.00 C ATOM 0 H ALA A 480 -7.038 -47.325 -27.687 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.363 -47.293 -26.834 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.738 -44.858 -26.642 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.441 -45.506 -28.143 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.494 -45.118 -26.763 1.00 25.00 H new ATOM 988 N LEU A 481 -6.569 -47.221 -24.436 1.00 25.00 N ATOM 989 CA LEU A 481 -6.718 -47.347 -22.979 1.00 25.00 C ATOM 990 C LEU A 481 -6.292 -48.720 -22.514 1.00 25.00 C ATOM 991 O LEU A 481 -5.617 -48.862 -21.501 1.00 25.00 O ATOM 992 CB LEU A 481 -8.157 -47.101 -22.551 1.00 25.00 C ATOM 993 CG LEU A 481 -8.604 -45.722 -23.006 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.115 -45.694 -23.139 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.123 -44.616 -22.076 1.00 25.00 C ATOM 0 H LEU A 481 -7.431 -47.359 -24.963 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.077 -46.594 -22.521 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.808 -47.863 -22.979 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.242 -47.181 -21.467 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.148 -45.530 -23.977 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.433 -44.704 -23.465 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.430 -46.436 -23.872 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.569 -45.922 -22.175 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.470 -43.652 -22.447 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.521 -44.784 -21.075 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.034 -44.620 -22.039 1.00 25.00 H new ATOM 1007 N MET A 482 -6.700 -49.735 -23.262 1.00 25.00 N ATOM 1008 CA MET A 482 -6.402 -51.128 -22.917 1.00 25.00 C ATOM 1009 C MET A 482 -4.927 -51.379 -22.847 1.00 25.00 C ATOM 1010 O MET A 482 -4.483 -52.292 -22.175 1.00 25.00 O ATOM 1011 CB MET A 482 -6.989 -52.085 -23.951 1.00 25.00 C ATOM 1012 CG MET A 482 -8.455 -51.968 -24.020 1.00 25.00 C ATOM 1013 SD MET A 482 -9.293 -53.440 -24.633 1.00 25.00 S ATOM 1014 CE MET A 482 -9.099 -53.235 -26.392 1.00 25.00 C ATOM 0 H MET A 482 -7.242 -49.624 -24.119 1.00 25.00 H new ATOM 0 HA MET A 482 -6.850 -51.304 -21.939 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.559 -51.873 -24.930 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.716 -53.109 -23.697 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.836 -51.736 -23.025 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.710 -51.126 -24.663 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.568 -54.072 -26.910 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.572 -52.304 -26.704 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.038 -53.204 -26.640 1.00 25.00 H new ATOM 1024 N THR A 483 -4.160 -50.565 -23.538 1.00 25.00 N ATOM 1025 CA THR A 483 -2.713 -50.774 -23.558 1.00 25.00 C ATOM 1026 C THR A 483 -2.071 -50.207 -22.296 1.00 25.00 C ATOM 1027 O THR A 483 -1.012 -50.649 -21.873 1.00 25.00 O ATOM 1028 CB THR A 483 -2.098 -50.166 -24.815 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.483 -48.796 -24.912 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.608 -50.904 -26.054 1.00 25.00 C ATOM 0 H THR A 483 -4.494 -49.770 -24.083 1.00 25.00 H new ATOM 0 HA THR A 483 -2.518 -51.846 -23.578 1.00 25.00 H new ATOM 0 HB THR A 483 -1.013 -50.252 -24.757 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.088 -48.402 -25.718 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.165 -50.464 -26.948 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.330 -51.956 -25.991 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.693 -50.818 -26.108 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.734 -49.243 -21.677 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.252 -48.644 -20.431 1.00 25.00 C ATOM 1040 C GLN A 484 -2.708 -49.493 -19.272 1.00 25.00 C ATOM 1041 O GLN A 484 -1.988 -49.701 -18.300 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.797 -47.233 -20.292 1.00 25.00 C ATOM 1043 CG GLN A 484 -2.562 -46.474 -21.549 1.00 25.00 C ATOM 1044 CD GLN A 484 -2.847 -44.998 -21.425 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -2.406 -44.341 -20.496 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -3.596 -44.475 -22.357 1.00 25.00 N ATOM 0 H GLN A 484 -3.614 -48.853 -22.016 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.163 -48.596 -20.441 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -3.864 -47.266 -20.071 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.314 -46.728 -19.456 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -1.526 -46.611 -21.858 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.188 -46.891 -22.338 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -3.945 -45.058 -23.118 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -3.832 -43.483 -22.325 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.915 -50.015 -19.401 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.449 -50.960 -18.443 1.00 25.00 C ATOM 1057 C PHE A 485 -3.608 -52.234 -18.549 1.00 25.00 C ATOM 1058 O PHE A 485 -3.490 -53.006 -17.601 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.904 -51.251 -18.803 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.895 -50.361 -18.093 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.418 -49.208 -18.719 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.323 -50.680 -16.791 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.349 -48.377 -18.046 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.261 -49.862 -16.113 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.770 -48.707 -16.741 1.00 25.00 C ATOM 0 H PHE A 485 -4.548 -49.795 -20.170 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.413 -50.570 -17.426 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.032 -51.136 -19.879 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.127 -52.291 -18.564 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.105 -48.956 -19.722 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.932 -51.560 -16.302 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.735 -47.493 -18.532 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.585 -50.123 -15.117 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.480 -48.077 -16.225 1.00 25.00 H new