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 -162:sc= -0.0847 (180deg=-0.442) USER MOD Single : A 433 MET CE :methyl -155:sc= -0.0066 (180deg=-0.773) USER MOD Single : A 434 THR OG1 : rot 73:sc= 1.16 USER MOD Single : A 436 GLN : amide:sc= 0.425 X(o=0.42,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=-0.63) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 477 HIS : no HD1:sc= -0.0932 X(o=-0.093,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot -82:sc= 0.419 USER MOD Single : A 484 GLN : amide:sc= 0.406 X(o=0.41,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -58.106 11.760 -59.257 1.00 25.00 N ATOM 114 CA GLU A 419 -57.294 12.094 -58.087 1.00 25.00 C ATOM 115 C GLU A 419 -56.331 10.956 -57.757 1.00 25.00 C ATOM 116 O GLU A 419 -55.251 11.182 -57.247 1.00 25.00 O ATOM 117 CB GLU A 419 -58.215 12.332 -56.892 1.00 25.00 C ATOM 118 CG GLU A 419 -59.085 13.573 -57.028 1.00 25.00 C ATOM 119 CD GLU A 419 -60.289 13.516 -56.113 1.00 25.00 C ATOM 120 OE1 GLU A 419 -61.421 13.695 -56.620 1.00 25.00 O ATOM 121 OE2 GLU A 419 -60.127 13.268 -54.909 1.00 25.00 O ATOM 0 HA GLU A 419 -56.715 12.992 -58.305 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -58.857 11.461 -56.761 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -57.610 12.421 -55.990 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -58.494 14.459 -56.797 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -59.418 13.673 -58.061 1.00 25.00 H new ATOM 128 N VAL A 420 -56.723 9.727 -58.063 1.00 25.00 N ATOM 129 CA VAL A 420 -55.877 8.564 -57.791 1.00 25.00 C ATOM 130 C VAL A 420 -54.740 8.546 -58.812 1.00 25.00 C ATOM 131 O VAL A 420 -53.612 8.178 -58.502 1.00 25.00 O ATOM 132 CB VAL A 420 -56.702 7.239 -57.858 1.00 25.00 C ATOM 133 CG1 VAL A 420 -55.832 6.030 -57.491 1.00 25.00 C ATOM 134 CG2 VAL A 420 -57.901 7.315 -56.898 1.00 25.00 C ATOM 0 H VAL A 420 -57.618 9.506 -58.499 1.00 25.00 H new ATOM 0 HA VAL A 420 -55.470 8.637 -56.783 1.00 25.00 H new ATOM 0 HB VAL A 420 -57.058 7.116 -58.881 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -56.431 5.121 -57.546 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -54.997 5.957 -58.188 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -55.449 6.152 -56.478 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -58.470 6.387 -56.952 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -57.543 7.462 -55.879 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -58.542 8.150 -57.181 1.00 25.00 H new ATOM 144 N SER A 421 -55.032 8.970 -60.032 1.00 25.00 N ATOM 145 CA SER A 421 -54.005 9.044 -61.066 1.00 25.00 C ATOM 146 C SER A 421 -53.005 10.145 -60.736 1.00 25.00 C ATOM 147 O SER A 421 -51.811 10.005 -60.978 1.00 25.00 O ATOM 148 CB SER A 421 -54.641 9.337 -62.418 1.00 25.00 C ATOM 149 OG SER A 421 -55.610 8.351 -62.738 1.00 25.00 O ATOM 0 H SER A 421 -55.961 9.266 -60.331 1.00 25.00 H new ATOM 0 HA SER A 421 -53.489 8.085 -61.107 1.00 25.00 H new ATOM 0 HB2 SER A 421 -55.108 10.322 -62.400 1.00 25.00 H new ATOM 0 HB3 SER A 421 -53.872 9.363 -63.190 1.00 25.00 H new ATOM 0 HG SER A 421 -56.010 8.556 -63.609 1.00 25.00 H new ATOM 155 N ASP A 422 -53.504 11.233 -60.171 1.00 25.00 N ATOM 156 CA ASP A 422 -52.655 12.354 -59.774 1.00 25.00 C ATOM 157 C ASP A 422 -51.782 11.934 -58.598 1.00 25.00 C ATOM 158 O ASP A 422 -50.640 12.337 -58.482 1.00 25.00 O ATOM 159 CB ASP A 422 -53.523 13.548 -59.375 1.00 25.00 C ATOM 160 CG ASP A 422 -52.718 14.820 -59.193 1.00 25.00 C ATOM 161 OD1 ASP A 422 -51.894 15.138 -60.079 1.00 25.00 O ATOM 162 OD2 ASP A 422 -52.919 15.512 -58.172 1.00 25.00 O ATOM 0 H ASP A 422 -54.496 11.367 -59.975 1.00 25.00 H new ATOM 0 HA ASP A 422 -52.021 12.643 -60.612 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -54.284 13.710 -60.138 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -54.046 13.318 -58.447 1.00 25.00 H new ATOM 167 N MET A 423 -52.330 11.093 -57.736 1.00 25.00 N ATOM 168 CA MET A 423 -51.608 10.604 -56.561 1.00 25.00 C ATOM 169 C MET A 423 -50.354 9.845 -56.986 1.00 25.00 C ATOM 170 O MET A 423 -49.299 9.972 -56.375 1.00 25.00 O ATOM 171 CB MET A 423 -52.530 9.691 -55.751 1.00 25.00 C ATOM 172 CG MET A 423 -52.159 9.552 -54.291 1.00 25.00 C ATOM 173 SD MET A 423 -53.342 8.482 -53.403 1.00 25.00 S ATOM 174 CE MET A 423 -54.891 9.446 -53.494 1.00 25.00 C ATOM 0 H MET A 423 -53.279 10.730 -57.825 1.00 25.00 H new ATOM 0 HA MET A 423 -51.302 11.451 -55.946 1.00 25.00 H new ATOM 0 HB2 MET A 423 -53.548 10.074 -55.818 1.00 25.00 H new ATOM 0 HB3 MET A 423 -52.531 8.701 -56.207 1.00 25.00 H new ATOM 0 HG2 MET A 423 -51.155 9.135 -54.207 1.00 25.00 H new ATOM 0 HG3 MET A 423 -52.136 10.537 -53.824 1.00 25.00 H new ATOM 0 HE1 MET A 423 -55.591 9.082 -52.742 1.00 25.00 H new ATOM 0 HE2 MET A 423 -54.676 10.499 -53.310 1.00 25.00 H new ATOM 0 HE3 MET A 423 -55.332 9.333 -54.484 1.00 25.00 H new ATOM 184 N ALA A 424 -50.477 9.073 -58.055 1.00 25.00 N ATOM 185 CA ALA A 424 -49.355 8.302 -58.578 1.00 25.00 C ATOM 186 C ALA A 424 -48.282 9.235 -59.154 1.00 25.00 C ATOM 187 O ALA A 424 -47.093 8.923 -59.129 1.00 25.00 O ATOM 188 CB ALA A 424 -49.853 7.328 -59.652 1.00 25.00 C ATOM 0 H ALA A 424 -51.345 8.962 -58.580 1.00 25.00 H new ATOM 0 HA ALA A 424 -48.907 7.733 -57.764 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -49.012 6.754 -60.040 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -50.586 6.649 -59.216 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -50.316 7.888 -60.464 1.00 25.00 H new ATOM 194 N ALA A 425 -48.702 10.387 -59.661 1.00 25.00 N ATOM 195 CA ALA A 425 -47.760 11.362 -60.198 1.00 25.00 C ATOM 196 C ALA A 425 -46.969 11.988 -59.043 1.00 25.00 C ATOM 197 O ALA A 425 -45.776 12.257 -59.177 1.00 25.00 O ATOM 198 CB ALA A 425 -48.503 12.443 -61.004 1.00 25.00 C ATOM 0 H ALA A 425 -49.681 10.668 -59.712 1.00 25.00 H new ATOM 0 HA ALA A 425 -47.067 10.862 -60.874 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -47.784 13.162 -61.397 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -49.039 11.977 -61.831 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -49.213 12.957 -60.356 1.00 25.00 H new ATOM 204 N VAL A 426 -47.629 12.205 -57.911 1.00 25.00 N ATOM 205 CA VAL A 426 -46.959 12.746 -56.728 1.00 25.00 C ATOM 206 C VAL A 426 -45.922 11.737 -56.249 1.00 25.00 C ATOM 207 O VAL A 426 -44.788 12.101 -55.950 1.00 25.00 O ATOM 208 CB VAL A 426 -47.968 13.046 -55.574 1.00 25.00 C ATOM 209 CG1 VAL A 426 -47.240 13.577 -54.334 1.00 25.00 C ATOM 210 CG2 VAL A 426 -49.012 14.069 -56.027 1.00 25.00 C ATOM 0 H VAL A 426 -48.623 12.016 -57.785 1.00 25.00 H new ATOM 0 HA VAL A 426 -46.484 13.688 -57.002 1.00 25.00 H new ATOM 0 HB VAL A 426 -48.466 12.111 -55.317 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -47.965 13.778 -53.545 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -46.523 12.833 -53.987 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -46.714 14.498 -54.587 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -49.707 14.266 -55.210 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -48.514 14.996 -56.311 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -49.560 13.675 -56.883 1.00 25.00 H new ATOM 220 N GLU A 427 -46.300 10.466 -56.192 1.00 25.00 N ATOM 221 CA GLU A 427 -45.375 9.417 -55.767 1.00 25.00 C ATOM 222 C GLU A 427 -44.156 9.390 -56.683 1.00 25.00 C ATOM 223 O GLU A 427 -43.023 9.293 -56.219 1.00 25.00 O ATOM 224 CB GLU A 427 -46.060 8.049 -55.806 1.00 25.00 C ATOM 225 CG GLU A 427 -47.074 7.819 -54.695 1.00 25.00 C ATOM 226 CD GLU A 427 -47.687 6.424 -54.765 1.00 25.00 C ATOM 227 OE1 GLU A 427 -47.139 5.496 -54.126 1.00 25.00 O ATOM 228 OE2 GLU A 427 -48.710 6.251 -55.466 1.00 25.00 O ATOM 0 H GLU A 427 -47.234 10.136 -56.433 1.00 25.00 H new ATOM 0 HA GLU A 427 -45.062 9.633 -54.746 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -46.561 7.935 -56.767 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -45.297 7.273 -55.750 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -46.590 7.955 -53.728 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -47.864 8.567 -54.764 1.00 25.00 H new ATOM 235 N ALA A 428 -44.383 9.488 -57.986 1.00 25.00 N ATOM 236 CA ALA A 428 -43.288 9.474 -58.949 1.00 25.00 C ATOM 237 C ALA A 428 -42.349 10.668 -58.733 1.00 25.00 C ATOM 238 O ALA A 428 -41.130 10.530 -58.843 1.00 25.00 O ATOM 239 CB ALA A 428 -43.849 9.483 -60.376 1.00 25.00 C ATOM 0 H ALA A 428 -45.311 9.578 -58.400 1.00 25.00 H new ATOM 0 HA ALA A 428 -42.709 8.563 -58.800 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -43.026 9.472 -61.091 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -44.472 8.602 -60.527 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -44.448 10.381 -60.526 1.00 25.00 H new ATOM 245 N ALA A 429 -42.916 11.825 -58.419 1.00 25.00 N ATOM 246 CA ALA A 429 -42.123 13.027 -58.185 1.00 25.00 C ATOM 247 C ALA A 429 -41.249 12.867 -56.935 1.00 25.00 C ATOM 248 O ALA A 429 -40.069 13.218 -56.943 1.00 25.00 O ATOM 249 CB ALA A 429 -43.047 14.245 -58.043 1.00 25.00 C ATOM 0 H ALA A 429 -43.922 11.958 -58.320 1.00 25.00 H new ATOM 0 HA ALA A 429 -41.465 13.181 -59.040 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -42.447 15.138 -57.868 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -43.627 14.370 -58.957 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -43.724 14.092 -57.202 1.00 25.00 H new ATOM 255 N GLU A 430 -41.816 12.330 -55.864 1.00 25.00 N ATOM 256 CA GLU A 430 -41.054 12.135 -54.628 1.00 25.00 C ATOM 257 C GLU A 430 -39.930 11.141 -54.872 1.00 25.00 C ATOM 258 O GLU A 430 -38.793 11.323 -54.415 1.00 25.00 O ATOM 259 CB GLU A 430 -41.955 11.625 -53.498 1.00 25.00 C ATOM 260 CG GLU A 430 -43.054 12.602 -53.121 1.00 25.00 C ATOM 261 CD GLU A 430 -43.188 12.780 -51.615 1.00 25.00 C ATOM 262 OE1 GLU A 430 -43.426 11.777 -50.905 1.00 25.00 O ATOM 263 OE2 GLU A 430 -43.045 13.929 -51.137 1.00 25.00 O ATOM 0 H GLU A 430 -42.788 12.023 -55.820 1.00 25.00 H new ATOM 0 HA GLU A 430 -40.639 13.097 -54.327 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -42.406 10.680 -53.800 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -41.344 11.420 -52.619 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -42.849 13.569 -53.581 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -44.002 12.251 -53.527 1.00 25.00 H new ATOM 270 N LEU A 431 -40.246 10.090 -55.610 1.00 25.00 N ATOM 271 CA LEU A 431 -39.261 9.063 -55.922 1.00 25.00 C ATOM 272 C LEU A 431 -38.117 9.620 -56.756 1.00 25.00 C ATOM 273 O LEU A 431 -36.953 9.359 -56.453 1.00 25.00 O ATOM 274 CB LEU A 431 -39.918 7.895 -56.668 1.00 25.00 C ATOM 275 CG LEU A 431 -40.771 6.945 -55.810 1.00 25.00 C ATOM 276 CD1 LEU A 431 -41.605 6.042 -56.718 1.00 25.00 C ATOM 277 CD2 LEU A 431 -39.895 6.085 -54.888 1.00 25.00 C ATOM 0 H LEU A 431 -41.172 9.924 -56.004 1.00 25.00 H new ATOM 0 HA LEU A 431 -38.854 8.706 -54.976 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -40.547 8.302 -57.459 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -39.135 7.312 -57.152 1.00 25.00 H new ATOM 0 HG LEU A 431 -41.428 7.550 -55.185 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -42.208 5.370 -56.108 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -42.259 6.654 -57.339 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -40.943 5.457 -57.356 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -40.529 5.425 -54.296 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -39.211 5.487 -55.490 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -39.323 6.732 -54.223 1.00 25.00 H new ATOM 289 N GLU A 432 -38.407 10.373 -57.809 1.00 25.00 N ATOM 290 CA GLU A 432 -37.327 10.883 -58.653 1.00 25.00 C ATOM 291 C GLU A 432 -36.503 11.940 -57.922 1.00 25.00 C ATOM 292 O GLU A 432 -35.293 12.033 -58.143 1.00 25.00 O ATOM 293 CB GLU A 432 -37.822 11.393 -60.015 1.00 25.00 C ATOM 294 CG GLU A 432 -38.561 12.725 -60.008 1.00 25.00 C ATOM 295 CD GLU A 432 -38.945 13.176 -61.414 1.00 25.00 C ATOM 296 OE1 GLU A 432 -38.610 12.463 -62.389 1.00 25.00 O ATOM 297 OE2 GLU A 432 -39.571 14.249 -61.544 1.00 25.00 O ATOM 0 H GLU A 432 -39.349 10.640 -58.096 1.00 25.00 H new ATOM 0 HA GLU A 432 -36.674 10.036 -58.865 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -36.963 11.482 -60.680 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -38.481 10.638 -60.444 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -39.460 12.637 -59.398 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -37.933 13.485 -59.543 1.00 25.00 H new ATOM 304 N MET A 433 -37.122 12.717 -57.039 1.00 25.00 N ATOM 305 CA MET A 433 -36.369 13.694 -56.250 1.00 25.00 C ATOM 306 C MET A 433 -35.405 12.951 -55.339 1.00 25.00 C ATOM 307 O MET A 433 -34.250 13.344 -55.201 1.00 25.00 O ATOM 308 CB MET A 433 -37.292 14.578 -55.409 1.00 25.00 C ATOM 309 CG MET A 433 -37.913 15.716 -56.203 1.00 25.00 C ATOM 310 SD MET A 433 -38.835 16.881 -55.158 1.00 25.00 S ATOM 311 CE MET A 433 -40.299 15.919 -54.710 1.00 25.00 C ATOM 0 H MET A 433 -38.124 12.694 -56.851 1.00 25.00 H new ATOM 0 HA MET A 433 -35.826 14.344 -56.936 1.00 25.00 H new ATOM 0 HB2 MET A 433 -38.086 13.964 -54.984 1.00 25.00 H new ATOM 0 HB3 MET A 433 -36.727 14.992 -54.573 1.00 25.00 H new ATOM 0 HG2 MET A 433 -37.127 16.254 -56.734 1.00 25.00 H new ATOM 0 HG3 MET A 433 -38.583 15.304 -56.958 1.00 25.00 H new ATOM 0 HE1 MET A 433 -41.120 16.595 -54.473 1.00 25.00 H new ATOM 0 HE2 MET A 433 -40.585 15.281 -55.546 1.00 25.00 H new ATOM 0 HE3 MET A 433 -40.076 15.300 -53.841 1.00 25.00 H new ATOM 321 N THR A 434 -35.866 11.868 -54.734 1.00 25.00 N ATOM 322 CA THR A 434 -35.014 11.060 -53.860 1.00 25.00 C ATOM 323 C THR A 434 -33.848 10.465 -54.655 1.00 25.00 C ATOM 324 O THR A 434 -32.716 10.421 -54.179 1.00 25.00 O ATOM 325 CB THR A 434 -35.827 9.924 -53.191 1.00 25.00 C ATOM 326 OG1 THR A 434 -36.952 10.487 -52.510 1.00 25.00 O ATOM 327 CG2 THR A 434 -34.995 9.175 -52.162 1.00 25.00 C ATOM 0 H THR A 434 -36.822 11.524 -54.828 1.00 25.00 H new ATOM 0 HA THR A 434 -34.620 11.710 -53.079 1.00 25.00 H new ATOM 0 HB THR A 434 -36.138 9.234 -53.975 1.00 25.00 H new ATOM 0 HG1 THR A 434 -37.621 10.776 -53.166 1.00 25.00 H new ATOM 0 HG21 THR A 434 -35.597 8.385 -51.713 1.00 25.00 H new ATOM 0 HG22 THR A 434 -34.124 8.735 -52.648 1.00 25.00 H new ATOM 0 HG23 THR A 434 -34.667 9.867 -51.386 1.00 25.00 H new ATOM 335 N ARG A 435 -34.097 10.022 -55.877 1.00 25.00 N ATOM 336 CA ARG A 435 -33.011 9.472 -56.700 1.00 25.00 C ATOM 337 C ARG A 435 -32.006 10.551 -57.028 1.00 25.00 C ATOM 338 O ARG A 435 -30.798 10.322 -56.998 1.00 25.00 O ATOM 339 CB ARG A 435 -33.545 8.884 -58.001 1.00 25.00 C ATOM 340 CG ARG A 435 -34.357 7.638 -57.782 1.00 25.00 C ATOM 341 CD ARG A 435 -34.576 6.872 -59.075 1.00 25.00 C ATOM 342 NE ARG A 435 -33.323 6.268 -59.560 1.00 25.00 N ATOM 343 CZ ARG A 435 -33.194 5.562 -60.677 1.00 25.00 C ATOM 344 NH1 ARG A 435 -34.203 5.340 -61.485 1.00 25.00 N ATOM 345 NH2 ARG A 435 -32.025 5.073 -60.985 1.00 25.00 N ATOM 0 H ARG A 435 -35.016 10.027 -56.320 1.00 25.00 H new ATOM 0 HA ARG A 435 -32.533 8.680 -56.124 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -34.159 9.629 -58.507 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -32.709 8.657 -58.663 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -33.851 6.996 -57.061 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -35.321 7.904 -57.350 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -35.320 6.092 -58.916 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -34.976 7.544 -59.835 1.00 25.00 H new ATOM 0 HE ARG A 435 -32.487 6.403 -58.992 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -35.126 5.715 -61.264 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -34.065 4.793 -62.335 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -31.227 5.235 -60.371 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -31.909 4.528 -61.840 1.00 25.00 H new ATOM 359 N GLN A 436 -32.515 11.727 -57.334 1.00 25.00 N ATOM 360 CA GLN A 436 -31.670 12.865 -57.679 1.00 25.00 C ATOM 361 C GLN A 436 -30.744 13.263 -56.536 1.00 25.00 C ATOM 362 O GLN A 436 -29.549 13.452 -56.746 1.00 25.00 O ATOM 363 CB GLN A 436 -32.507 14.052 -58.099 1.00 25.00 C ATOM 364 CG GLN A 436 -32.759 14.035 -59.580 1.00 25.00 C ATOM 365 CD GLN A 436 -33.839 14.973 -59.962 1.00 25.00 C ATOM 366 OE1 GLN A 436 -33.597 16.073 -60.427 1.00 25.00 O ATOM 367 NE2 GLN A 436 -35.043 14.554 -59.760 1.00 25.00 N ATOM 0 H GLN A 436 -33.515 11.926 -57.352 1.00 25.00 H new ATOM 0 HA GLN A 436 -31.049 12.550 -58.517 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -33.457 14.039 -57.565 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -31.999 14.976 -57.823 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -31.843 14.300 -60.108 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -33.026 13.025 -59.892 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -35.201 13.625 -59.369 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -35.837 15.151 -59.992 1.00 25.00 H new ATOM 376 N VAL A 437 -31.281 13.384 -55.329 1.00 25.00 N ATOM 377 CA VAL A 437 -30.464 13.799 -54.186 1.00 25.00 C ATOM 378 C VAL A 437 -29.416 12.750 -53.821 1.00 25.00 C ATOM 379 O VAL A 437 -28.290 13.090 -53.469 1.00 25.00 O ATOM 380 CB VAL A 437 -31.332 14.173 -52.934 1.00 25.00 C ATOM 381 CG1 VAL A 437 -32.204 15.405 -53.248 1.00 25.00 C ATOM 382 CG2 VAL A 437 -32.214 13.038 -52.465 1.00 25.00 C ATOM 0 H VAL A 437 -32.262 13.205 -55.113 1.00 25.00 H new ATOM 0 HA VAL A 437 -29.940 14.701 -54.503 1.00 25.00 H new ATOM 0 HB VAL A 437 -30.636 14.395 -52.125 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -32.804 15.659 -52.374 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -31.563 16.248 -53.505 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -32.862 15.180 -54.087 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -32.789 13.359 -51.597 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -32.896 12.752 -53.266 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -31.594 12.184 -52.194 1.00 25.00 H new ATOM 392 N LEU A 438 -29.770 11.479 -53.924 1.00 25.00 N ATOM 393 CA LEU A 438 -28.824 10.404 -53.625 1.00 25.00 C ATOM 394 C LEU A 438 -27.667 10.387 -54.619 1.00 25.00 C ATOM 395 O LEU A 438 -26.514 10.256 -54.220 1.00 25.00 O ATOM 396 CB LEU A 438 -29.531 9.044 -53.637 1.00 25.00 C ATOM 397 CG LEU A 438 -30.471 8.767 -52.450 1.00 25.00 C ATOM 398 CD1 LEU A 438 -31.247 7.479 -52.710 1.00 25.00 C ATOM 399 CD2 LEU A 438 -29.700 8.652 -51.130 1.00 25.00 C ATOM 0 H LEU A 438 -30.697 11.163 -54.210 1.00 25.00 H new ATOM 0 HA LEU A 438 -28.421 10.592 -52.630 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -30.107 8.963 -54.559 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -28.773 8.262 -53.666 1.00 25.00 H new ATOM 0 HG LEU A 438 -31.159 9.607 -52.358 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -31.914 7.280 -51.871 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -31.834 7.586 -53.622 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -30.549 6.650 -52.823 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -30.399 8.456 -50.316 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -28.983 7.834 -51.197 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -29.169 9.584 -50.936 1.00 25.00 H new ATOM 720 N ALA A 462 -17.970 -32.570 -45.080 1.00 25.00 N ATOM 721 CA ALA A 462 -16.929 -32.859 -44.105 1.00 25.00 C ATOM 722 C ALA A 462 -17.531 -33.385 -42.794 1.00 25.00 C ATOM 723 O ALA A 462 -16.994 -34.310 -42.203 1.00 25.00 O ATOM 724 CB ALA A 462 -16.102 -31.606 -43.840 1.00 25.00 C ATOM 0 HA ALA A 462 -16.282 -33.635 -44.514 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.325 -31.831 -43.109 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.640 -31.271 -44.769 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.748 -30.819 -43.452 1.00 25.00 H new ATOM 730 N LEU A 463 -18.642 -32.811 -42.344 1.00 25.00 N ATOM 731 CA LEU A 463 -19.279 -33.263 -41.106 1.00 25.00 C ATOM 732 C LEU A 463 -19.776 -34.697 -41.253 1.00 25.00 C ATOM 733 O LEU A 463 -19.686 -35.473 -40.320 1.00 25.00 O ATOM 734 CB LEU A 463 -20.395 -32.291 -40.661 1.00 25.00 C ATOM 735 CG LEU A 463 -21.872 -32.525 -41.037 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.581 -33.487 -40.078 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.607 -31.188 -41.026 1.00 25.00 C ATOM 0 H LEU A 463 -19.118 -32.039 -42.811 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.534 -33.260 -40.311 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.351 -32.237 -39.573 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.125 -31.305 -41.040 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.887 -32.978 -42.029 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.617 -33.615 -40.391 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.076 -34.453 -40.092 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.555 -33.079 -39.068 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.653 -31.345 -41.291 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.547 -30.748 -40.030 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.147 -30.514 -41.749 1.00 25.00 H new ATOM 749 N GLN A 464 -20.269 -35.069 -42.425 1.00 25.00 N ATOM 750 CA GLN A 464 -20.702 -36.450 -42.636 1.00 25.00 C ATOM 751 C GLN A 464 -19.507 -37.401 -42.525 1.00 25.00 C ATOM 752 O GLN A 464 -19.627 -38.512 -42.009 1.00 25.00 O ATOM 753 CB GLN A 464 -21.396 -36.591 -43.991 1.00 25.00 C ATOM 754 CG GLN A 464 -22.704 -35.816 -44.048 1.00 25.00 C ATOM 755 CD GLN A 464 -23.440 -36.003 -45.349 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.055 -35.485 -46.396 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.512 -36.736 -45.290 1.00 25.00 N ATOM 0 H GLN A 464 -20.379 -34.453 -43.230 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.422 -36.717 -41.862 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.730 -36.236 -44.777 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.591 -37.645 -44.190 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.345 -36.133 -43.225 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.499 -34.756 -43.902 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.799 -37.149 -44.403 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.066 -36.898 -46.131 1.00 25.00 H new ATOM 766 N GLY A 465 -18.352 -36.944 -42.980 1.00 25.00 N ATOM 767 CA GLY A 465 -17.137 -37.727 -42.863 1.00 25.00 C ATOM 768 C GLY A 465 -16.754 -37.818 -41.399 1.00 25.00 C ATOM 769 O GLY A 465 -16.406 -38.881 -40.923 1.00 25.00 O ATOM 0 H GLY A 465 -18.232 -36.038 -43.432 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.289 -38.724 -43.276 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.333 -37.264 -43.435 1.00 25.00 H new ATOM 773 N ALA A 466 -16.840 -36.700 -40.686 1.00 25.00 N ATOM 774 CA ALA A 466 -16.492 -36.640 -39.268 1.00 25.00 C ATOM 775 C ALA A 466 -17.296 -37.677 -38.439 1.00 25.00 C ATOM 776 O ALA A 466 -16.776 -38.236 -37.495 1.00 25.00 O ATOM 777 CB ALA A 466 -16.778 -35.231 -38.721 1.00 25.00 C ATOM 0 H ALA A 466 -17.153 -35.810 -41.073 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.431 -36.873 -39.177 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.517 -35.191 -37.663 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.183 -34.500 -39.269 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.837 -35.002 -38.842 1.00 25.00 H new ATOM 783 N GLN A 467 -18.549 -37.900 -38.820 1.00 25.00 N ATOM 784 CA GLN A 467 -19.371 -38.867 -38.148 1.00 25.00 C ATOM 785 C GLN A 467 -18.987 -40.283 -38.434 1.00 25.00 C ATOM 786 O GLN A 467 -18.961 -41.142 -37.543 1.00 25.00 O ATOM 787 CB GLN A 467 -20.796 -38.595 -38.553 1.00 25.00 C ATOM 788 CG GLN A 467 -21.207 -37.303 -37.991 1.00 25.00 C ATOM 789 CD GLN A 467 -22.600 -37.004 -38.072 1.00 25.00 C ATOM 790 OE1 GLN A 467 -23.412 -37.738 -38.613 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.944 -35.881 -37.538 1.00 25.00 N ATOM 0 H GLN A 467 -19.007 -37.417 -39.593 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.236 -38.759 -37.072 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.884 -38.579 -39.639 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.450 -39.389 -38.192 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.909 -37.273 -36.943 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -20.655 -36.514 -38.502 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.241 -35.291 -37.094 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -23.919 -35.583 -37.560 1.00 25.00 H new ATOM 800 N ALA A 468 -18.663 -40.551 -39.721 1.00 25.00 N ATOM 801 CA ALA A 468 -18.241 -41.849 -40.109 1.00 25.00 C ATOM 802 C ALA A 468 -16.915 -42.223 -39.440 1.00 25.00 C ATOM 803 O ALA A 468 -16.754 -43.324 -38.943 1.00 25.00 O ATOM 804 CB ALA A 468 -18.100 -41.885 -41.655 1.00 25.00 C ATOM 0 H ALA A 468 -18.697 -39.868 -40.478 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.984 -42.579 -39.787 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.776 -42.878 -41.968 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.062 -41.656 -42.114 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.363 -41.147 -41.970 1.00 25.00 H new ATOM 810 N VAL A 469 -15.967 -41.294 -39.439 1.00 25.00 N ATOM 811 CA VAL A 469 -14.660 -41.544 -38.828 1.00 25.00 C ATOM 812 C VAL A 469 -14.795 -41.634 -37.314 1.00 25.00 C ATOM 813 O VAL A 469 -14.012 -42.316 -36.677 1.00 25.00 O ATOM 814 CB VAL A 469 -13.577 -40.491 -39.205 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.443 -40.403 -40.729 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.891 -39.125 -38.638 1.00 25.00 C ATOM 0 H VAL A 469 -16.073 -40.367 -39.850 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.315 -42.496 -39.232 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.634 -40.820 -38.769 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.684 -39.664 -40.985 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.152 -41.376 -41.125 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.398 -40.106 -41.162 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.109 -38.423 -38.926 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.849 -38.781 -39.027 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.942 -39.185 -37.551 1.00 25.00 H new ATOM 826 N ALA A 470 -15.786 -40.964 -36.729 1.00 25.00 N ATOM 827 CA ALA A 470 -15.969 -40.994 -35.275 1.00 25.00 C ATOM 828 C ALA A 470 -16.159 -42.423 -34.763 1.00 25.00 C ATOM 829 O ALA A 470 -15.749 -42.734 -33.645 1.00 25.00 O ATOM 830 CB ALA A 470 -17.166 -40.122 -34.862 1.00 25.00 C ATOM 0 H ALA A 470 -16.470 -40.398 -37.232 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.063 -40.591 -34.822 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.285 -40.157 -33.779 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.991 -39.092 -35.174 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.071 -40.497 -35.339 1.00 25.00 H new ATOM 836 N ALA A 471 -16.756 -43.289 -35.572 1.00 25.00 N ATOM 837 CA ALA A 471 -16.928 -44.685 -35.188 1.00 25.00 C ATOM 838 C ALA A 471 -15.554 -45.356 -35.039 1.00 25.00 C ATOM 839 O ALA A 471 -15.343 -46.162 -34.142 1.00 25.00 O ATOM 840 CB ALA A 471 -17.779 -45.414 -36.233 1.00 25.00 C ATOM 0 H ALA A 471 -17.127 -43.052 -36.492 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.444 -44.736 -34.229 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.903 -46.456 -35.939 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.757 -44.938 -36.302 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.283 -45.367 -37.203 1.00 25.00 H new ATOM 846 N ALA A 472 -14.622 -45.005 -35.913 1.00 25.00 N ATOM 847 CA ALA A 472 -13.261 -45.522 -35.827 1.00 25.00 C ATOM 848 C ALA A 472 -12.517 -44.873 -34.653 1.00 25.00 C ATOM 849 O ALA A 472 -11.710 -45.512 -33.999 1.00 25.00 O ATOM 850 CB ALA A 472 -12.511 -45.272 -37.144 1.00 25.00 C ATOM 0 H ALA A 472 -14.782 -44.364 -36.690 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.307 -46.597 -35.654 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.497 -45.663 -37.065 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.031 -45.774 -37.960 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.472 -44.201 -37.343 1.00 25.00 H new ATOM 856 N GLN A 473 -12.779 -43.600 -34.393 1.00 25.00 N ATOM 857 CA GLN A 473 -12.096 -42.888 -33.312 1.00 25.00 C ATOM 858 C GLN A 473 -12.473 -43.416 -31.935 1.00 25.00 C ATOM 859 O GLN A 473 -11.612 -43.651 -31.092 1.00 25.00 O ATOM 860 CB GLN A 473 -12.417 -41.389 -33.345 1.00 25.00 C ATOM 861 CG GLN A 473 -12.011 -40.664 -34.623 1.00 25.00 C ATOM 862 CD GLN A 473 -10.516 -40.518 -34.797 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.747 -40.635 -33.860 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.103 -40.256 -36.009 1.00 25.00 N ATOM 0 H GLN A 473 -13.455 -43.038 -34.910 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.032 -43.054 -33.478 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.490 -41.261 -33.199 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.921 -40.909 -32.501 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.415 -41.204 -35.479 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.466 -39.673 -34.627 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.777 -40.165 -36.769 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.107 -40.142 -36.195 1.00 25.00 H new ATOM 873 N ARG A 474 -13.764 -43.615 -31.703 1.00 25.00 N ATOM 874 CA ARG A 474 -14.223 -44.147 -30.410 1.00 25.00 C ATOM 875 C ARG A 474 -13.645 -45.543 -30.210 1.00 25.00 C ATOM 876 O ARG A 474 -13.439 -45.988 -29.089 1.00 25.00 O ATOM 877 CB ARG A 474 -15.762 -44.170 -30.319 1.00 25.00 C ATOM 878 CG ARG A 474 -16.449 -45.098 -31.315 1.00 25.00 C ATOM 879 CD ARG A 474 -17.965 -45.037 -31.225 1.00 25.00 C ATOM 880 NE ARG A 474 -18.469 -45.646 -29.981 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.751 -45.825 -29.680 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.718 -45.467 -30.490 1.00 25.00 N ATOM 883 NH2 ARG A 474 -20.066 -46.389 -28.547 1.00 25.00 N ATOM 0 H ARG A 474 -14.507 -43.423 -32.375 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.869 -43.490 -29.616 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -16.048 -44.468 -29.310 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.136 -43.157 -30.470 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.138 -44.833 -32.326 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.120 -46.122 -31.138 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.290 -43.998 -31.277 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.400 -45.551 -32.082 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.779 -45.955 -29.296 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.498 -45.034 -31.387 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.690 -45.621 -30.223 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.332 -46.687 -27.904 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -21.046 -46.532 -28.304 1.00 25.00 H new ATOM 897 N LEU A 475 -13.382 -46.217 -31.318 1.00 25.00 N ATOM 898 CA LEU A 475 -12.794 -47.544 -31.302 1.00 25.00 C ATOM 899 C LEU A 475 -11.291 -47.482 -30.997 1.00 25.00 C ATOM 900 O LEU A 475 -10.825 -48.175 -30.103 1.00 25.00 O ATOM 901 CB LEU A 475 -13.066 -48.216 -32.661 1.00 25.00 C ATOM 902 CG LEU A 475 -11.993 -49.132 -33.266 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.823 -50.407 -32.431 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.369 -49.503 -34.689 1.00 25.00 C ATOM 0 H LEU A 475 -13.571 -45.858 -32.254 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.248 -48.137 -30.508 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.980 -48.801 -32.562 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.270 -47.426 -33.384 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.047 -48.590 -33.267 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.057 -51.038 -32.882 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.523 -50.141 -31.417 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.768 -50.950 -32.399 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.602 -50.153 -35.110 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.326 -50.024 -34.688 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.449 -48.598 -35.292 1.00 25.00 H new ATOM 916 N VAL A 476 -10.528 -46.677 -31.727 1.00 25.00 N ATOM 917 CA VAL A 476 -9.071 -46.658 -31.547 1.00 25.00 C ATOM 918 C VAL A 476 -8.719 -46.181 -30.144 1.00 25.00 C ATOM 919 O VAL A 476 -7.783 -46.680 -29.518 1.00 25.00 O ATOM 920 CB VAL A 476 -8.341 -45.823 -32.655 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.679 -44.347 -32.585 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.829 -46.019 -32.566 1.00 25.00 C ATOM 0 H VAL A 476 -10.880 -46.037 -32.439 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.708 -47.680 -31.660 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.698 -46.194 -33.616 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.148 -43.814 -33.374 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.753 -44.213 -32.716 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.380 -43.951 -31.615 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.340 -45.432 -33.343 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.477 -45.692 -31.588 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.590 -47.074 -32.704 1.00 25.00 H new ATOM 932 N HIS A 477 -9.492 -45.236 -29.639 1.00 25.00 N ATOM 933 CA HIS A 477 -9.283 -44.722 -28.306 1.00 25.00 C ATOM 934 C HIS A 477 -9.500 -45.821 -27.275 1.00 25.00 C ATOM 935 O HIS A 477 -8.825 -45.850 -26.261 1.00 25.00 O ATOM 936 CB HIS A 477 -10.227 -43.550 -28.050 1.00 25.00 C ATOM 937 CG HIS A 477 -9.843 -42.727 -26.862 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.663 -41.813 -26.247 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.676 -42.677 -26.165 1.00 25.00 C ATOM 940 CE1 HIS A 477 -9.988 -41.264 -25.238 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.770 -41.756 -25.143 1.00 25.00 N ATOM 0 H HIS A 477 -10.273 -44.810 -30.138 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.255 -44.370 -28.217 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.249 -42.912 -28.933 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.238 -43.932 -27.907 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.802 -43.273 -26.381 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.390 -40.509 -24.579 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.052 -41.509 -24.462 1.00 25.00 H new ATOM 949 N ALA A 478 -10.421 -46.741 -27.533 1.00 25.00 N ATOM 950 CA ALA A 478 -10.676 -47.815 -26.586 1.00 25.00 C ATOM 951 C ALA A 478 -9.413 -48.662 -26.402 1.00 25.00 C ATOM 952 O ALA A 478 -9.043 -48.990 -25.283 1.00 25.00 O ATOM 953 CB ALA A 478 -11.849 -48.682 -27.059 1.00 25.00 C ATOM 0 H ALA A 478 -10.995 -46.765 -28.376 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.945 -47.380 -25.624 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.025 -49.480 -26.338 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.745 -48.067 -27.145 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.612 -49.116 -28.030 1.00 25.00 H new ATOM 959 N ILE A 479 -8.743 -49.006 -27.495 1.00 25.00 N ATOM 960 CA ILE A 479 -7.536 -49.833 -27.403 1.00 25.00 C ATOM 961 C ILE A 479 -6.402 -49.023 -26.797 1.00 25.00 C ATOM 962 O ILE A 479 -5.567 -49.554 -26.079 1.00 25.00 O ATOM 963 CB ILE A 479 -7.073 -50.362 -28.776 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.224 -51.070 -29.495 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.902 -51.359 -28.625 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.495 -50.454 -30.803 1.00 25.00 C ATOM 0 H ILE A 479 -9.005 -48.733 -28.442 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.789 -50.687 -26.775 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.742 -49.502 -29.358 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.978 -52.123 -29.630 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.122 -51.029 -28.878 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.598 -51.715 -29.609 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.061 -50.862 -28.143 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.221 -52.205 -28.016 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.317 -50.979 -31.289 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.765 -49.407 -30.663 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.604 -50.519 -31.427 1.00 25.00 H new ATOM 978 N ALA A 480 -6.380 -47.726 -27.065 1.00 25.00 N ATOM 979 CA ALA A 480 -5.351 -46.858 -26.506 1.00 25.00 C ATOM 980 C ALA A 480 -5.403 -46.929 -24.970 1.00 25.00 C ATOM 981 O ALA A 480 -4.397 -46.743 -24.290 1.00 25.00 O ATOM 982 CB ALA A 480 -5.552 -45.416 -27.000 1.00 25.00 C ATOM 0 H ALA A 480 -7.058 -47.252 -27.662 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.368 -47.193 -26.838 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.778 -44.775 -26.577 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.488 -45.392 -28.088 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.532 -45.057 -26.686 1.00 25.00 H new ATOM 988 N LEU A 481 -6.579 -47.218 -24.430 1.00 25.00 N ATOM 989 CA LEU A 481 -6.727 -47.370 -22.979 1.00 25.00 C ATOM 990 C LEU A 481 -6.288 -48.750 -22.555 1.00 25.00 C ATOM 991 O LEU A 481 -5.584 -48.913 -21.573 1.00 25.00 O ATOM 992 CB LEU A 481 -8.168 -47.133 -22.551 1.00 25.00 C ATOM 993 CG LEU A 481 -8.619 -45.737 -22.964 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.130 -45.708 -23.085 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.138 -44.666 -21.991 1.00 25.00 C ATOM 0 H LEU A 481 -7.439 -47.352 -24.963 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.096 -46.625 -22.493 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.817 -47.882 -23.005 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.257 -47.247 -21.471 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.170 -45.510 -23.931 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.452 -44.709 -23.380 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.449 -46.430 -23.837 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.577 -45.964 -22.124 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.483 -43.688 -22.326 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.537 -44.871 -20.998 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.049 -44.672 -21.952 1.00 25.00 H new ATOM 1007 N MET A 482 -6.697 -49.756 -23.308 1.00 25.00 N ATOM 1008 CA MET A 482 -6.344 -51.137 -22.985 1.00 25.00 C ATOM 1009 C MET A 482 -4.856 -51.350 -23.001 1.00 25.00 C ATOM 1010 O MET A 482 -4.342 -52.226 -22.327 1.00 25.00 O ATOM 1011 CB MET A 482 -6.972 -52.101 -23.982 1.00 25.00 C ATOM 1012 CG MET A 482 -8.437 -51.971 -23.978 1.00 25.00 C ATOM 1013 SD MET A 482 -9.310 -53.426 -24.580 1.00 25.00 S ATOM 1014 CE MET A 482 -9.115 -53.244 -26.354 1.00 25.00 C ATOM 0 H MET A 482 -7.271 -49.649 -24.144 1.00 25.00 H new ATOM 0 HA MET A 482 -6.724 -51.329 -21.982 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.587 -51.900 -24.982 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.692 -53.124 -23.732 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.769 -51.757 -22.962 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.716 -51.114 -24.591 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.606 -54.075 -26.861 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.566 -52.305 -26.675 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.054 -53.241 -26.605 1.00 25.00 H new ATOM 1024 N THR A 483 -4.155 -50.551 -23.778 1.00 25.00 N ATOM 1025 CA THR A 483 -2.718 -50.748 -23.906 1.00 25.00 C ATOM 1026 C THR A 483 -1.987 -50.142 -22.716 1.00 25.00 C ATOM 1027 O THR A 483 -0.982 -50.682 -22.262 1.00 25.00 O ATOM 1028 CB THR A 483 -2.212 -50.198 -25.236 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.739 -48.889 -25.443 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.703 -51.084 -26.377 1.00 25.00 C ATOM 0 H THR A 483 -4.540 -49.777 -24.320 1.00 25.00 H new ATOM 0 HA THR A 483 -2.509 -51.818 -23.903 1.00 25.00 H new ATOM 0 HB THR A 483 -1.123 -50.173 -25.213 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.647 -48.955 -25.806 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.340 -50.689 -27.326 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.327 -52.098 -26.238 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.793 -51.099 -26.383 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.498 -49.044 -22.177 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.894 -48.465 -20.980 1.00 25.00 C ATOM 1040 C GLN A 484 -2.374 -49.192 -19.714 1.00 25.00 C ATOM 1041 O GLN A 484 -1.647 -49.240 -18.719 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.122 -46.949 -20.903 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.567 -46.502 -20.886 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.696 -45.007 -21.027 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.405 -44.260 -20.112 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.124 -44.563 -22.180 1.00 25.00 N ATOM 0 H GLN A 484 -3.311 -48.544 -22.537 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.816 -48.611 -21.047 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.634 -46.572 -20.004 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.627 -46.482 -21.754 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.107 -46.991 -21.697 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.034 -46.820 -19.954 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.358 -45.220 -22.924 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.223 -43.560 -22.335 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.568 -49.781 -19.740 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.048 -50.547 -18.607 1.00 25.00 C ATOM 1057 C PHE A 485 -3.423 -51.940 -18.586 1.00 25.00 C ATOM 1058 O PHE A 485 -3.164 -52.486 -17.525 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.568 -50.667 -18.669 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.291 -49.521 -18.006 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.184 -49.330 -16.613 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.084 -48.633 -18.756 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -6.853 -48.255 -15.975 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.752 -47.550 -18.130 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.633 -47.361 -16.738 1.00 25.00 C ATOM 0 H PHE A 485 -4.212 -49.739 -20.530 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.760 -50.025 -17.695 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.877 -50.726 -19.713 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.870 -51.600 -18.194 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -5.586 -50.010 -16.025 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.185 -48.778 -19.821 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -6.766 -48.121 -14.907 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.351 -46.871 -18.719 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.137 -46.535 -16.258 1.00 25.00 H new