USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=6 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 -163:sc= -0.11 (180deg=-0.406) USER MOD Single : A 433 MET CE :methyl -179:sc= 0 (180deg=-0.000275) USER MOD Single : A 434 THR OG1 : rot 69:sc= 1.07 USER MOD Single : A 436 GLN : amide:sc= 0.297 X(o=0.3,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 477 HIS : no HD1:sc= -0.0476 X(o=-0.048,f=0) USER MOD Single : A 482 MET CE :methyl 178:sc= 0 (180deg=-0.0064) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.397 X(o=0.4,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -28.986 22.534 -56.832 1.00 25.00 N ATOM 114 CA GLU A 419 -29.318 21.123 -56.618 1.00 25.00 C ATOM 115 C GLU A 419 -28.021 20.332 -56.569 1.00 25.00 C ATOM 116 O GLU A 419 -27.882 19.394 -55.806 1.00 25.00 O ATOM 117 CB GLU A 419 -30.189 20.595 -57.773 1.00 25.00 C ATOM 118 CG GLU A 419 -31.580 21.251 -57.867 1.00 25.00 C ATOM 119 CD GLU A 419 -32.148 21.295 -59.299 1.00 25.00 C ATOM 120 OE1 GLU A 419 -31.516 20.779 -60.248 1.00 25.00 O ATOM 121 OE2 GLU A 419 -33.236 21.889 -59.475 1.00 25.00 O ATOM 0 HA GLU A 419 -29.873 21.015 -55.686 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -29.661 20.754 -58.713 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -30.315 19.519 -57.656 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -32.273 20.705 -57.227 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -31.520 22.267 -57.478 1.00 25.00 H new ATOM 128 N VAL A 420 -27.064 20.736 -57.393 1.00 25.00 N ATOM 129 CA VAL A 420 -25.771 20.060 -57.472 1.00 25.00 C ATOM 130 C VAL A 420 -24.936 20.332 -56.218 1.00 25.00 C ATOM 131 O VAL A 420 -24.148 19.492 -55.795 1.00 25.00 O ATOM 132 CB VAL A 420 -25.011 20.494 -58.759 1.00 25.00 C ATOM 133 CG1 VAL A 420 -23.689 19.730 -58.915 1.00 25.00 C ATOM 134 CG2 VAL A 420 -25.891 20.226 -59.986 1.00 25.00 C ATOM 0 H VAL A 420 -27.158 21.534 -58.021 1.00 25.00 H new ATOM 0 HA VAL A 420 -25.945 18.985 -57.526 1.00 25.00 H new ATOM 0 HB VAL A 420 -24.787 21.557 -58.675 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -23.184 20.058 -59.824 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -23.051 19.928 -58.054 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -23.892 18.661 -58.978 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -25.360 20.530 -60.888 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -26.123 19.162 -60.042 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -26.817 20.795 -59.901 1.00 25.00 H new ATOM 144 N SER A 421 -25.116 21.490 -55.602 1.00 25.00 N ATOM 145 CA SER A 421 -24.391 21.796 -54.369 1.00 25.00 C ATOM 146 C SER A 421 -24.822 20.836 -53.263 1.00 25.00 C ATOM 147 O SER A 421 -23.997 20.341 -52.496 1.00 25.00 O ATOM 148 CB SER A 421 -24.671 23.229 -53.923 1.00 25.00 C ATOM 149 OG SER A 421 -24.307 24.154 -54.937 1.00 25.00 O ATOM 0 H SER A 421 -25.745 22.225 -55.925 1.00 25.00 H new ATOM 0 HA SER A 421 -23.324 21.684 -54.562 1.00 25.00 H new ATOM 0 HB2 SER A 421 -25.729 23.340 -53.686 1.00 25.00 H new ATOM 0 HB3 SER A 421 -24.115 23.446 -53.011 1.00 25.00 H new ATOM 0 HG SER A 421 -24.496 25.066 -54.631 1.00 25.00 H new ATOM 155 N ASP A 422 -26.117 20.570 -53.196 1.00 25.00 N ATOM 156 CA ASP A 422 -26.665 19.665 -52.187 1.00 25.00 C ATOM 157 C ASP A 422 -26.339 18.225 -52.556 1.00 25.00 C ATOM 158 O ASP A 422 -26.142 17.375 -51.689 1.00 25.00 O ATOM 159 CB ASP A 422 -28.183 19.854 -52.077 1.00 25.00 C ATOM 160 CG ASP A 422 -28.566 21.224 -51.520 1.00 25.00 C ATOM 161 OD1 ASP A 422 -27.738 21.851 -50.819 1.00 25.00 O ATOM 162 OD2 ASP A 422 -29.700 21.678 -51.793 1.00 25.00 O ATOM 0 H ASP A 422 -26.813 20.967 -53.828 1.00 25.00 H new ATOM 0 HA ASP A 422 -26.215 19.894 -51.221 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -28.633 19.727 -53.062 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -28.597 19.076 -51.435 1.00 25.00 H new ATOM 167 N MET A 423 -26.258 17.962 -53.852 1.00 25.00 N ATOM 168 CA MET A 423 -25.902 16.641 -54.358 1.00 25.00 C ATOM 169 C MET A 423 -24.494 16.287 -53.890 1.00 25.00 C ATOM 170 O MET A 423 -24.243 15.186 -53.432 1.00 25.00 O ATOM 171 CB MET A 423 -25.964 16.644 -55.887 1.00 25.00 C ATOM 172 CG MET A 423 -26.035 15.284 -56.543 1.00 25.00 C ATOM 173 SD MET A 423 -26.034 15.452 -58.363 1.00 25.00 S ATOM 174 CE MET A 423 -27.581 16.376 -58.698 1.00 25.00 C ATOM 0 H MET A 423 -26.436 18.653 -54.581 1.00 25.00 H new ATOM 0 HA MET A 423 -26.604 15.898 -53.978 1.00 25.00 H new ATOM 0 HB2 MET A 423 -26.835 17.222 -56.196 1.00 25.00 H new ATOM 0 HB3 MET A 423 -25.085 17.165 -56.267 1.00 25.00 H new ATOM 0 HG2 MET A 423 -25.187 14.676 -56.227 1.00 25.00 H new ATOM 0 HG3 MET A 423 -26.937 14.764 -56.220 1.00 25.00 H new ATOM 0 HE1 MET A 423 -27.843 16.277 -59.751 1.00 25.00 H new ATOM 0 HE2 MET A 423 -28.386 15.972 -58.084 1.00 25.00 H new ATOM 0 HE3 MET A 423 -27.435 17.429 -58.458 1.00 25.00 H new ATOM 184 N ALA A 424 -23.580 17.240 -53.987 1.00 25.00 N ATOM 185 CA ALA A 424 -22.200 17.011 -53.573 1.00 25.00 C ATOM 186 C ALA A 424 -22.121 16.776 -52.061 1.00 25.00 C ATOM 187 O ALA A 424 -21.292 16.004 -51.582 1.00 25.00 O ATOM 188 CB ALA A 424 -21.336 18.211 -53.975 1.00 25.00 C ATOM 0 H ALA A 424 -23.765 18.176 -54.347 1.00 25.00 H new ATOM 0 HA ALA A 424 -21.825 16.118 -54.073 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -20.306 18.038 -53.665 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -21.372 18.339 -55.057 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -21.715 19.111 -53.490 1.00 25.00 H new ATOM 194 N ALA A 425 -22.979 17.454 -51.311 1.00 25.00 N ATOM 195 CA ALA A 425 -22.985 17.323 -49.860 1.00 25.00 C ATOM 196 C ALA A 425 -23.430 15.919 -49.431 1.00 25.00 C ATOM 197 O ALA A 425 -22.812 15.303 -48.562 1.00 25.00 O ATOM 198 CB ALA A 425 -23.907 18.385 -49.245 1.00 25.00 C ATOM 0 H ALA A 425 -23.678 18.098 -51.681 1.00 25.00 H new ATOM 0 HA ALA A 425 -21.968 17.476 -49.498 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -23.907 18.282 -48.160 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -23.549 19.378 -49.515 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -24.920 18.250 -49.623 1.00 25.00 H new ATOM 204 N VAL A 426 -24.503 15.419 -50.027 1.00 25.00 N ATOM 205 CA VAL A 426 -25.016 14.100 -49.665 1.00 25.00 C ATOM 206 C VAL A 426 -24.082 13.006 -50.171 1.00 25.00 C ATOM 207 O VAL A 426 -23.879 11.997 -49.506 1.00 25.00 O ATOM 208 CB VAL A 426 -26.483 13.918 -50.156 1.00 25.00 C ATOM 209 CG1 VAL A 426 -26.609 13.898 -51.673 1.00 25.00 C ATOM 210 CG2 VAL A 426 -27.106 12.671 -49.547 1.00 25.00 C ATOM 0 H VAL A 426 -25.032 15.898 -50.756 1.00 25.00 H new ATOM 0 HA VAL A 426 -25.043 14.017 -48.579 1.00 25.00 H new ATOM 0 HB VAL A 426 -27.033 14.794 -49.812 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -27.655 13.768 -51.950 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -26.240 14.839 -52.081 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -26.022 13.072 -52.076 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -28.130 12.564 -49.904 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -26.527 11.795 -49.839 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -27.108 12.759 -48.461 1.00 25.00 H new ATOM 220 N GLU A 427 -23.487 13.222 -51.330 1.00 25.00 N ATOM 221 CA GLU A 427 -22.508 12.276 -51.875 1.00 25.00 C ATOM 222 C GLU A 427 -21.330 12.138 -50.913 1.00 25.00 C ATOM 223 O GLU A 427 -20.855 11.033 -50.656 1.00 25.00 O ATOM 224 CB GLU A 427 -21.994 12.752 -53.235 1.00 25.00 C ATOM 225 CG GLU A 427 -22.913 12.401 -54.405 1.00 25.00 C ATOM 226 CD GLU A 427 -22.413 12.965 -55.736 1.00 25.00 C ATOM 227 OE1 GLU A 427 -21.335 13.607 -55.760 1.00 25.00 O ATOM 228 OE2 GLU A 427 -23.095 12.754 -56.764 1.00 25.00 O ATOM 0 H GLU A 427 -23.658 14.039 -51.917 1.00 25.00 H new ATOM 0 HA GLU A 427 -22.998 11.311 -52.001 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -21.860 13.833 -53.203 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -21.012 12.315 -53.414 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -22.998 11.317 -54.483 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -23.913 12.785 -54.205 1.00 25.00 H new ATOM 235 N ALA A 428 -20.864 13.253 -50.368 1.00 25.00 N ATOM 236 CA ALA A 428 -19.753 13.226 -49.423 1.00 25.00 C ATOM 237 C ALA A 428 -20.139 12.457 -48.153 1.00 25.00 C ATOM 238 O ALA A 428 -19.319 11.729 -47.582 1.00 25.00 O ATOM 239 CB ALA A 428 -19.327 14.657 -49.074 1.00 25.00 C ATOM 0 H ALA A 428 -21.234 14.183 -50.562 1.00 25.00 H new ATOM 0 HA ALA A 428 -18.913 12.711 -49.889 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -18.497 14.628 -48.368 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -19.014 15.175 -49.981 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -20.167 15.187 -48.625 1.00 25.00 H new ATOM 245 N ALA A 429 -21.385 12.613 -47.725 1.00 25.00 N ATOM 246 CA ALA A 429 -21.876 11.925 -46.537 1.00 25.00 C ATOM 247 C ALA A 429 -21.921 10.411 -46.778 1.00 25.00 C ATOM 248 O ALA A 429 -21.507 9.631 -45.932 1.00 25.00 O ATOM 249 CB ALA A 429 -23.266 12.455 -46.157 1.00 25.00 C ATOM 0 H ALA A 429 -22.074 13.210 -48.182 1.00 25.00 H new ATOM 0 HA ALA A 429 -21.193 12.119 -45.710 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -23.623 11.934 -45.269 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -23.204 13.524 -45.951 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -23.959 12.284 -46.981 1.00 25.00 H new ATOM 255 N GLU A 430 -22.413 9.997 -47.937 1.00 25.00 N ATOM 256 CA GLU A 430 -22.488 8.570 -48.272 1.00 25.00 C ATOM 257 C GLU A 430 -21.091 7.983 -48.316 1.00 25.00 C ATOM 258 O GLU A 430 -20.828 6.883 -47.818 1.00 25.00 O ATOM 259 CB GLU A 430 -23.128 8.380 -49.644 1.00 25.00 C ATOM 260 CG GLU A 430 -24.592 8.717 -49.695 1.00 25.00 C ATOM 261 CD GLU A 430 -25.474 7.523 -49.343 1.00 25.00 C ATOM 262 OE1 GLU A 430 -25.425 7.063 -48.179 1.00 25.00 O ATOM 263 OE2 GLU A 430 -26.209 7.038 -50.232 1.00 25.00 O ATOM 0 H GLU A 430 -22.766 10.621 -48.663 1.00 25.00 H new ATOM 0 HA GLU A 430 -23.089 8.070 -47.512 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -22.599 9.000 -50.368 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -22.995 7.344 -49.954 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -24.799 9.535 -49.004 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -24.846 9.072 -50.694 1.00 25.00 H new ATOM 270 N LEU A 431 -20.181 8.733 -48.912 1.00 25.00 N ATOM 271 CA LEU A 431 -18.789 8.307 -49.007 1.00 25.00 C ATOM 272 C LEU A 431 -18.172 8.092 -47.629 1.00 25.00 C ATOM 273 O LEU A 431 -17.466 7.106 -47.423 1.00 25.00 O ATOM 274 CB LEU A 431 -17.959 9.328 -49.792 1.00 25.00 C ATOM 275 CG LEU A 431 -18.122 9.280 -51.320 1.00 25.00 C ATOM 276 CD1 LEU A 431 -17.489 10.524 -51.939 1.00 25.00 C ATOM 277 CD2 LEU A 431 -17.473 8.022 -51.913 1.00 25.00 C ATOM 0 H LEU A 431 -20.377 9.639 -49.338 1.00 25.00 H new ATOM 0 HA LEU A 431 -18.780 7.355 -49.538 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -18.224 10.327 -49.447 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -16.907 9.176 -49.552 1.00 25.00 H new ATOM 0 HG LEU A 431 -19.187 9.250 -51.548 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -17.604 10.490 -53.022 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -17.981 11.415 -51.549 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -16.429 10.556 -51.688 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -17.606 8.019 -52.995 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -16.409 8.017 -51.679 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -17.943 7.135 -51.487 1.00 25.00 H new ATOM 289 N GLU A 432 -18.413 8.981 -46.674 1.00 25.00 N ATOM 290 CA GLU A 432 -17.865 8.768 -45.331 1.00 25.00 C ATOM 291 C GLU A 432 -18.612 7.659 -44.576 1.00 25.00 C ATOM 292 O GLU A 432 -18.005 6.930 -43.784 1.00 25.00 O ATOM 293 CB GLU A 432 -17.742 10.060 -44.512 1.00 25.00 C ATOM 294 CG GLU A 432 -19.020 10.635 -43.940 1.00 25.00 C ATOM 295 CD GLU A 432 -18.732 11.849 -43.068 1.00 25.00 C ATOM 296 OE1 GLU A 432 -19.365 12.905 -43.269 1.00 25.00 O ATOM 297 OE2 GLU A 432 -17.853 11.741 -42.180 1.00 25.00 O ATOM 0 H GLU A 432 -18.965 9.831 -46.791 1.00 25.00 H new ATOM 0 HA GLU A 432 -16.842 8.421 -45.474 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -17.055 9.874 -43.686 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -17.282 10.819 -45.144 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -19.691 10.917 -44.752 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -19.533 9.874 -43.352 1.00 25.00 H new ATOM 304 N MET A 433 -19.907 7.504 -44.831 1.00 25.00 N ATOM 305 CA MET A 433 -20.684 6.418 -44.223 1.00 25.00 C ATOM 306 C MET A 433 -20.106 5.082 -44.669 1.00 25.00 C ATOM 307 O MET A 433 -20.015 4.137 -43.887 1.00 25.00 O ATOM 308 CB MET A 433 -22.155 6.484 -44.647 1.00 25.00 C ATOM 309 CG MET A 433 -23.120 6.635 -43.482 1.00 25.00 C ATOM 310 SD MET A 433 -23.142 8.311 -42.814 1.00 25.00 S ATOM 311 CE MET A 433 -24.251 9.139 -43.993 1.00 25.00 C ATOM 0 H MET A 433 -20.443 8.111 -45.451 1.00 25.00 H new ATOM 0 HA MET A 433 -20.628 6.522 -43.139 1.00 25.00 H new ATOM 0 HB2 MET A 433 -22.290 7.323 -45.330 1.00 25.00 H new ATOM 0 HB3 MET A 433 -22.406 5.579 -45.200 1.00 25.00 H new ATOM 0 HG2 MET A 433 -24.124 6.365 -43.809 1.00 25.00 H new ATOM 0 HG3 MET A 433 -22.843 5.936 -42.692 1.00 25.00 H new ATOM 0 HE1 MET A 433 -24.350 10.190 -43.723 1.00 25.00 H new ATOM 0 HE2 MET A 433 -23.837 9.060 -44.998 1.00 25.00 H new ATOM 0 HE3 MET A 433 -25.231 8.664 -43.966 1.00 25.00 H new ATOM 321 N THR A 434 -19.695 5.011 -45.926 1.00 25.00 N ATOM 322 CA THR A 434 -19.081 3.803 -46.478 1.00 25.00 C ATOM 323 C THR A 434 -17.800 3.459 -45.710 1.00 25.00 C ATOM 324 O THR A 434 -17.503 2.293 -45.470 1.00 25.00 O ATOM 325 CB THR A 434 -18.759 3.989 -47.985 1.00 25.00 C ATOM 326 OG1 THR A 434 -19.948 4.373 -48.680 1.00 25.00 O ATOM 327 CG2 THR A 434 -18.260 2.699 -48.615 1.00 25.00 C ATOM 0 H THR A 434 -19.775 5.780 -46.591 1.00 25.00 H new ATOM 0 HA THR A 434 -19.791 2.982 -46.373 1.00 25.00 H new ATOM 0 HB THR A 434 -17.984 4.752 -48.062 1.00 25.00 H new ATOM 0 HG1 THR A 434 -20.206 5.279 -48.411 1.00 25.00 H new ATOM 0 HG21 THR A 434 -18.045 2.869 -49.670 1.00 25.00 H new ATOM 0 HG22 THR A 434 -17.352 2.374 -48.107 1.00 25.00 H new ATOM 0 HG23 THR A 434 -19.025 1.928 -48.520 1.00 25.00 H new ATOM 335 N ARG A 435 -17.043 4.464 -45.296 1.00 25.00 N ATOM 336 CA ARG A 435 -15.812 4.208 -44.532 1.00 25.00 C ATOM 337 C ARG A 435 -16.196 3.614 -43.197 1.00 25.00 C ATOM 338 O ARG A 435 -15.605 2.646 -42.733 1.00 25.00 O ATOM 339 CB ARG A 435 -15.030 5.502 -44.280 1.00 25.00 C ATOM 340 CG ARG A 435 -14.716 6.271 -45.530 1.00 25.00 C ATOM 341 CD ARG A 435 -14.134 7.637 -45.207 1.00 25.00 C ATOM 342 NE ARG A 435 -14.274 8.546 -46.357 1.00 25.00 N ATOM 343 CZ ARG A 435 -14.072 9.860 -46.327 1.00 25.00 C ATOM 344 NH1 ARG A 435 -13.714 10.489 -45.234 1.00 25.00 N ATOM 345 NH2 ARG A 435 -14.248 10.553 -47.416 1.00 25.00 N ATOM 0 H ARG A 435 -17.246 5.449 -45.467 1.00 25.00 H new ATOM 0 HA ARG A 435 -15.181 3.529 -45.106 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -15.605 6.138 -43.607 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -14.098 5.259 -43.770 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -14.009 5.707 -46.138 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -15.623 6.391 -46.123 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -14.642 8.059 -44.340 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -13.081 7.536 -44.942 1.00 25.00 H new ATOM 0 HE ARG A 435 -14.548 8.134 -47.249 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -13.581 9.969 -44.367 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -13.568 11.498 -45.251 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -14.537 10.087 -48.276 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -14.097 11.562 -47.409 1.00 25.00 H new ATOM 359 N GLN A 436 -17.206 4.209 -42.589 1.00 25.00 N ATOM 360 CA GLN A 436 -17.666 3.778 -41.273 1.00 25.00 C ATOM 361 C GLN A 436 -18.121 2.320 -41.263 1.00 25.00 C ATOM 362 O GLN A 436 -17.759 1.567 -40.364 1.00 25.00 O ATOM 363 CB GLN A 436 -18.777 4.674 -40.772 1.00 25.00 C ATOM 364 CG GLN A 436 -18.222 5.897 -40.105 1.00 25.00 C ATOM 365 CD GLN A 436 -19.208 7.001 -40.084 1.00 25.00 C ATOM 366 OE1 GLN A 436 -19.978 7.153 -39.153 1.00 25.00 O ATOM 367 NE2 GLN A 436 -19.201 7.777 -41.115 1.00 25.00 N ATOM 0 H GLN A 436 -17.727 4.993 -42.982 1.00 25.00 H new ATOM 0 HA GLN A 436 -16.812 3.858 -40.601 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -19.415 4.968 -41.605 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -19.403 4.125 -40.069 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -17.926 5.653 -39.085 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -17.323 6.221 -40.629 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -18.538 7.613 -41.873 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -19.858 8.555 -41.172 1.00 25.00 H new ATOM 376 N VAL A 437 -18.900 1.912 -42.256 1.00 25.00 N ATOM 377 CA VAL A 437 -19.393 0.532 -42.302 1.00 25.00 C ATOM 378 C VAL A 437 -18.287 -0.476 -42.601 1.00 25.00 C ATOM 379 O VAL A 437 -18.289 -1.580 -42.068 1.00 25.00 O ATOM 380 CB VAL A 437 -20.563 0.350 -43.322 1.00 25.00 C ATOM 381 CG1 VAL A 437 -21.792 1.147 -42.858 1.00 25.00 C ATOM 382 CG2 VAL A 437 -20.192 0.770 -44.727 1.00 25.00 C ATOM 0 H VAL A 437 -19.203 2.502 -43.031 1.00 25.00 H new ATOM 0 HA VAL A 437 -19.776 0.331 -41.301 1.00 25.00 H new ATOM 0 HB VAL A 437 -20.790 -0.716 -43.352 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -22.603 1.015 -43.574 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -22.110 0.788 -41.879 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -21.536 2.204 -42.791 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -21.045 0.620 -45.389 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -19.911 1.823 -44.730 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -19.352 0.170 -45.076 1.00 25.00 H new ATOM 392 N LEU A 438 -17.335 -0.100 -43.441 1.00 25.00 N ATOM 393 CA LEU A 438 -16.221 -0.991 -43.767 1.00 25.00 C ATOM 394 C LEU A 438 -15.326 -1.228 -42.555 1.00 25.00 C ATOM 395 O LEU A 438 -14.890 -2.350 -42.314 1.00 25.00 O ATOM 396 CB LEU A 438 -15.384 -0.412 -44.912 1.00 25.00 C ATOM 397 CG LEU A 438 -16.024 -0.480 -46.312 1.00 25.00 C ATOM 398 CD1 LEU A 438 -15.166 0.312 -47.297 1.00 25.00 C ATOM 399 CD2 LEU A 438 -16.174 -1.924 -46.799 1.00 25.00 C ATOM 0 H LEU A 438 -17.306 0.806 -43.908 1.00 25.00 H new ATOM 0 HA LEU A 438 -16.648 -1.945 -44.077 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -15.164 0.631 -44.684 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -14.431 -0.940 -44.943 1.00 25.00 H new ATOM 0 HG LEU A 438 -17.023 -0.048 -46.250 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -15.615 0.267 -48.289 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -15.106 1.351 -46.973 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -14.164 -0.116 -47.332 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -16.629 -1.929 -47.789 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -15.192 -2.395 -46.849 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -16.808 -2.478 -46.106 1.00 25.00 H new ATOM 720 N ALA A 462 -17.245 -32.770 -45.460 1.00 25.00 N ATOM 721 CA ALA A 462 -16.290 -32.903 -44.376 1.00 25.00 C ATOM 722 C ALA A 462 -17.007 -33.358 -43.103 1.00 25.00 C ATOM 723 O ALA A 462 -16.528 -34.253 -42.411 1.00 25.00 O ATOM 724 CB ALA A 462 -15.575 -31.577 -44.140 1.00 25.00 C ATOM 0 HA ALA A 462 -15.547 -33.653 -44.647 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -14.861 -31.689 -43.324 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.047 -31.282 -45.047 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.306 -30.811 -43.880 1.00 25.00 H new ATOM 730 N LEU A 463 -18.155 -32.763 -42.793 1.00 25.00 N ATOM 731 CA LEU A 463 -18.877 -33.147 -41.585 1.00 25.00 C ATOM 732 C LEU A 463 -19.409 -34.569 -41.716 1.00 25.00 C ATOM 733 O LEU A 463 -19.369 -35.321 -40.760 1.00 25.00 O ATOM 734 CB LEU A 463 -19.976 -32.124 -41.244 1.00 25.00 C ATOM 735 CG LEU A 463 -21.447 -32.347 -41.644 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.199 -33.271 -40.673 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.129 -31.002 -41.665 1.00 25.00 C ATOM 0 H LEU A 463 -18.597 -32.030 -43.347 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.186 -33.140 -40.742 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.960 -31.994 -40.162 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.670 -31.175 -41.684 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.462 -32.831 -42.620 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.229 -33.389 -41.008 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.712 -34.246 -40.647 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.190 -32.834 -39.674 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.175 -31.129 -41.946 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.071 -30.549 -40.675 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.635 -30.355 -42.389 1.00 25.00 H new ATOM 749 N GLN A 464 -19.881 -34.961 -42.894 1.00 25.00 N ATOM 750 CA GLN A 464 -20.355 -36.331 -43.092 1.00 25.00 C ATOM 751 C GLN A 464 -19.225 -37.318 -42.838 1.00 25.00 C ATOM 752 O GLN A 464 -19.436 -38.403 -42.291 1.00 25.00 O ATOM 753 CB GLN A 464 -20.909 -36.505 -44.503 1.00 25.00 C ATOM 754 CG GLN A 464 -22.215 -35.770 -44.700 1.00 25.00 C ATOM 755 CD GLN A 464 -22.829 -36.036 -46.042 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.275 -35.725 -47.093 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.979 -36.630 -46.015 1.00 25.00 N ATOM 0 H GLN A 464 -19.947 -34.362 -43.717 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.158 -36.529 -42.382 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.178 -36.142 -45.226 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.057 -37.566 -44.705 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.915 -36.066 -43.919 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.046 -34.699 -44.588 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.407 -36.872 -45.121 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.457 -36.856 -46.887 1.00 25.00 H new ATOM 766 N GLY A 465 -18.020 -36.925 -43.210 1.00 25.00 N ATOM 767 CA GLY A 465 -16.856 -37.749 -42.961 1.00 25.00 C ATOM 768 C GLY A 465 -16.604 -37.817 -41.474 1.00 25.00 C ATOM 769 O GLY A 465 -16.411 -38.895 -40.933 1.00 25.00 O ATOM 0 H GLY A 465 -17.824 -36.043 -43.684 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.012 -38.751 -43.361 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -15.986 -37.334 -43.471 1.00 25.00 H new ATOM 773 N ALA A 466 -16.631 -36.668 -40.813 1.00 25.00 N ATOM 774 CA ALA A 466 -16.405 -36.577 -39.371 1.00 25.00 C ATOM 775 C ALA A 466 -17.329 -37.516 -38.580 1.00 25.00 C ATOM 776 O ALA A 466 -16.913 -38.138 -37.607 1.00 25.00 O ATOM 777 CB ALA A 466 -16.605 -35.131 -38.913 1.00 25.00 C ATOM 0 H ALA A 466 -16.810 -35.769 -41.260 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.380 -36.891 -39.172 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.437 -35.063 -37.838 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.898 -34.484 -39.433 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.623 -34.814 -39.141 1.00 25.00 H new ATOM 783 N GLN A 467 -18.576 -37.623 -39.008 1.00 25.00 N ATOM 784 CA GLN A 467 -19.536 -38.498 -38.336 1.00 25.00 C ATOM 785 C GLN A 467 -19.138 -39.968 -38.485 1.00 25.00 C ATOM 786 O GLN A 467 -19.199 -40.744 -37.532 1.00 25.00 O ATOM 787 CB GLN A 467 -20.918 -38.322 -38.958 1.00 25.00 C ATOM 788 CG GLN A 467 -21.515 -36.910 -38.848 1.00 25.00 C ATOM 789 CD GLN A 467 -21.900 -36.497 -37.444 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.036 -37.311 -36.544 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.088 -35.213 -37.261 1.00 25.00 N ATOM 0 H GLN A 467 -18.951 -37.120 -39.813 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.548 -38.228 -37.280 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.861 -38.593 -40.012 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.603 -39.026 -38.485 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.793 -36.193 -39.239 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.398 -36.852 -39.485 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.965 -34.564 -38.038 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.358 -34.863 -36.342 1.00 25.00 H new ATOM 800 N ALA A 468 -18.742 -40.351 -39.692 1.00 25.00 N ATOM 801 CA ALA A 468 -18.389 -41.739 -39.976 1.00 25.00 C ATOM 802 C ALA A 468 -17.084 -42.142 -39.283 1.00 25.00 C ATOM 803 O ALA A 468 -16.989 -43.214 -38.682 1.00 25.00 O ATOM 804 CB ALA A 468 -18.271 -41.940 -41.494 1.00 25.00 C ATOM 0 H ALA A 468 -18.657 -39.722 -40.490 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.179 -42.379 -39.583 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.007 -42.977 -41.704 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.224 -41.705 -41.967 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.497 -41.282 -41.889 1.00 25.00 H new ATOM 810 N VAL A 469 -16.081 -41.280 -39.358 1.00 25.00 N ATOM 811 CA VAL A 469 -14.779 -41.573 -38.755 1.00 25.00 C ATOM 812 C VAL A 469 -14.896 -41.627 -37.248 1.00 25.00 C ATOM 813 O VAL A 469 -14.119 -42.304 -36.602 1.00 25.00 O ATOM 814 CB VAL A 469 -13.664 -40.572 -39.171 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.518 -40.561 -40.689 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.951 -39.173 -38.660 1.00 25.00 C ATOM 0 H VAL A 469 -16.138 -40.376 -39.826 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.478 -42.548 -39.138 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.728 -40.902 -38.720 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.735 -39.858 -40.974 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.253 -41.560 -41.036 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.461 -40.258 -41.143 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.151 -38.501 -38.970 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.898 -38.823 -39.071 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.011 -39.188 -37.572 1.00 25.00 H new ATOM 826 N ALA A 470 -15.867 -40.924 -36.680 1.00 25.00 N ATOM 827 CA ALA A 470 -16.062 -40.931 -35.230 1.00 25.00 C ATOM 828 C ALA A 470 -16.228 -42.356 -34.693 1.00 25.00 C ATOM 829 O ALA A 470 -15.829 -42.635 -33.560 1.00 25.00 O ATOM 830 CB ALA A 470 -17.271 -40.083 -34.843 1.00 25.00 C ATOM 0 H ALA A 470 -16.530 -40.344 -37.194 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.168 -40.500 -34.779 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.397 -40.102 -33.761 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.115 -39.056 -35.172 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.165 -40.485 -35.320 1.00 25.00 H new ATOM 836 N ALA A 471 -16.795 -43.252 -35.493 1.00 25.00 N ATOM 837 CA ALA A 471 -16.958 -44.648 -35.085 1.00 25.00 C ATOM 838 C ALA A 471 -15.585 -45.327 -34.965 1.00 25.00 C ATOM 839 O ALA A 471 -15.357 -46.129 -34.069 1.00 25.00 O ATOM 840 CB ALA A 471 -17.841 -45.390 -36.094 1.00 25.00 C ATOM 0 H ALA A 471 -17.150 -43.040 -36.426 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.445 -44.679 -34.110 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.957 -46.428 -35.782 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.820 -44.914 -36.140 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.375 -45.357 -37.079 1.00 25.00 H new ATOM 846 N ALA A 472 -14.675 -44.990 -35.863 1.00 25.00 N ATOM 847 CA ALA A 472 -13.315 -45.511 -35.808 1.00 25.00 C ATOM 848 C ALA A 472 -12.531 -44.864 -34.659 1.00 25.00 C ATOM 849 O ALA A 472 -11.655 -45.484 -34.076 1.00 25.00 O ATOM 850 CB ALA A 472 -12.603 -45.265 -37.147 1.00 25.00 C ATOM 0 H ALA A 472 -14.852 -44.356 -36.642 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.362 -46.584 -35.625 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.587 -45.658 -37.097 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.147 -45.768 -37.946 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.569 -44.195 -37.349 1.00 25.00 H new ATOM 856 N GLN A 473 -12.838 -43.613 -34.342 1.00 25.00 N ATOM 857 CA GLN A 473 -12.099 -42.887 -33.312 1.00 25.00 C ATOM 858 C GLN A 473 -12.419 -43.401 -31.923 1.00 25.00 C ATOM 859 O GLN A 473 -11.534 -43.632 -31.109 1.00 25.00 O ATOM 860 CB GLN A 473 -12.412 -41.386 -33.354 1.00 25.00 C ATOM 861 CG GLN A 473 -12.016 -40.673 -34.644 1.00 25.00 C ATOM 862 CD GLN A 473 -10.524 -40.454 -34.793 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.742 -40.747 -33.907 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.131 -39.936 -35.927 1.00 25.00 N ATOM 0 H GLN A 473 -13.590 -43.080 -34.780 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.042 -43.050 -33.523 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.482 -41.250 -33.197 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.904 -40.902 -32.520 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.374 -41.255 -35.493 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.520 -39.708 -34.683 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.816 -39.703 -36.646 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.139 -39.764 -36.093 1.00 25.00 H new ATOM 873 N ARG A 474 -13.700 -43.594 -31.651 1.00 25.00 N ATOM 874 CA ARG A 474 -14.123 -44.125 -30.351 1.00 25.00 C ATOM 875 C ARG A 474 -13.558 -45.536 -30.192 1.00 25.00 C ATOM 876 O ARG A 474 -13.305 -45.991 -29.085 1.00 25.00 O ATOM 877 CB ARG A 474 -15.657 -44.097 -30.228 1.00 25.00 C ATOM 878 CG ARG A 474 -16.376 -44.944 -31.260 1.00 25.00 C ATOM 879 CD ARG A 474 -17.860 -44.644 -31.350 1.00 25.00 C ATOM 880 NE ARG A 474 -18.144 -43.294 -31.865 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.358 -42.775 -32.021 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.448 -43.438 -31.719 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.479 -41.569 -32.499 1.00 25.00 N ATOM 0 H ARG A 474 -14.462 -43.396 -32.300 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.735 -43.502 -29.545 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.937 -44.441 -29.232 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.999 -43.066 -30.317 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.919 -44.781 -32.236 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.239 -45.997 -31.015 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.335 -45.381 -31.997 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.307 -44.751 -30.362 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.347 -42.712 -32.122 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.382 -44.387 -31.350 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.362 -43.005 -31.853 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.648 -41.034 -32.749 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.405 -41.160 -32.623 1.00 25.00 H new ATOM 897 N LEU A 475 -13.344 -46.206 -31.315 1.00 25.00 N ATOM 898 CA LEU A 475 -12.756 -47.536 -31.328 1.00 25.00 C ATOM 899 C LEU A 475 -11.251 -47.479 -31.036 1.00 25.00 C ATOM 900 O LEU A 475 -10.779 -48.183 -30.155 1.00 25.00 O ATOM 901 CB LEU A 475 -13.030 -48.195 -32.691 1.00 25.00 C ATOM 902 CG LEU A 475 -11.960 -49.122 -33.291 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.785 -50.403 -32.455 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.337 -49.492 -34.714 1.00 25.00 C ATOM 0 H LEU A 475 -13.573 -45.843 -32.241 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.213 -48.136 -30.541 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.952 -48.769 -32.601 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.219 -47.399 -33.411 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.013 -48.583 -33.286 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.021 -51.033 -32.910 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.481 -50.138 -31.442 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.729 -50.946 -32.420 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.575 -50.149 -35.133 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.298 -50.006 -34.714 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.409 -48.588 -35.318 1.00 25.00 H new ATOM 916 N VAL A 476 -10.490 -46.668 -31.762 1.00 25.00 N ATOM 917 CA VAL A 476 -9.032 -46.648 -31.581 1.00 25.00 C ATOM 918 C VAL A 476 -8.696 -46.194 -30.167 1.00 25.00 C ATOM 919 O VAL A 476 -7.759 -46.693 -29.538 1.00 25.00 O ATOM 920 CB VAL A 476 -8.303 -45.789 -32.668 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.696 -44.332 -32.614 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.783 -45.934 -32.547 1.00 25.00 C ATOM 0 H VAL A 476 -10.844 -46.025 -32.470 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.659 -47.663 -31.716 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.622 -46.174 -33.637 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.162 -43.782 -33.389 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.770 -44.238 -32.778 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.441 -43.922 -31.637 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.298 -45.328 -33.312 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.463 -45.598 -31.561 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.505 -46.979 -32.682 1.00 25.00 H new ATOM 932 N HIS A 477 -9.486 -45.266 -29.656 1.00 25.00 N ATOM 933 CA HIS A 477 -9.308 -44.772 -28.316 1.00 25.00 C ATOM 934 C HIS A 477 -9.511 -45.890 -27.308 1.00 25.00 C ATOM 935 O HIS A 477 -8.816 -45.945 -26.311 1.00 25.00 O ATOM 936 CB HIS A 477 -10.299 -43.645 -28.059 1.00 25.00 C ATOM 937 CG HIS A 477 -10.035 -42.905 -26.788 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.994 -42.283 -26.030 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.869 -42.700 -26.120 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.398 -41.742 -24.970 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.100 -41.964 -24.975 1.00 25.00 N ATOM 0 H HIS A 477 -10.263 -44.840 -30.161 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.292 -44.393 -28.206 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.266 -42.944 -28.893 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.308 -44.057 -28.029 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.902 -43.061 -26.439 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.915 -41.189 -24.200 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.415 -41.659 -24.284 1.00 25.00 H new ATOM 949 N ALA A 478 -10.448 -46.794 -27.569 1.00 25.00 N ATOM 950 CA ALA A 478 -10.711 -47.882 -26.638 1.00 25.00 C ATOM 951 C ALA A 478 -9.448 -48.719 -26.422 1.00 25.00 C ATOM 952 O ALA A 478 -9.116 -49.062 -25.293 1.00 25.00 O ATOM 953 CB ALA A 478 -11.857 -48.759 -27.154 1.00 25.00 C ATOM 0 H ALA A 478 -11.031 -46.796 -28.406 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.007 -47.455 -25.680 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.042 -49.568 -26.448 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.758 -48.155 -27.259 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.586 -49.178 -28.123 1.00 25.00 H new ATOM 959 N ILE A 479 -8.736 -49.037 -27.494 1.00 25.00 N ATOM 960 CA ILE A 479 -7.527 -49.850 -27.365 1.00 25.00 C ATOM 961 C ILE A 479 -6.423 -49.033 -26.714 1.00 25.00 C ATOM 962 O ILE A 479 -5.637 -49.554 -25.941 1.00 25.00 O ATOM 963 CB ILE A 479 -7.007 -50.374 -28.720 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.133 -51.065 -29.498 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.851 -51.382 -28.510 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.399 -50.388 -30.786 1.00 25.00 C ATOM 0 H ILE A 479 -8.965 -48.753 -28.447 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.797 -50.710 -26.752 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.643 -49.518 -29.288 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.864 -52.105 -29.682 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.041 -51.072 -28.895 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.499 -51.739 -29.478 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.032 -50.892 -27.984 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.207 -52.226 -27.920 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.203 -50.905 -31.310 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.693 -49.355 -30.600 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.498 -50.404 -31.399 1.00 25.00 H new ATOM 978 N ALA A 480 -6.376 -47.742 -27.015 1.00 25.00 N ATOM 979 CA ALA A 480 -5.360 -46.860 -26.451 1.00 25.00 C ATOM 980 C ALA A 480 -5.459 -46.855 -24.917 1.00 25.00 C ATOM 981 O ALA A 480 -4.475 -46.637 -24.211 1.00 25.00 O ATOM 982 CB ALA A 480 -5.531 -45.439 -27.021 1.00 25.00 C ATOM 0 H ALA A 480 -7.030 -47.281 -27.647 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.370 -47.225 -26.725 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.770 -44.783 -26.597 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.423 -45.467 -28.105 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.520 -45.061 -26.764 1.00 25.00 H new ATOM 988 N LEU A 481 -6.652 -47.107 -24.403 1.00 25.00 N ATOM 989 CA LEU A 481 -6.849 -47.185 -22.955 1.00 25.00 C ATOM 990 C LEU A 481 -6.350 -48.507 -22.442 1.00 25.00 C ATOM 991 O LEU A 481 -5.710 -48.584 -21.412 1.00 25.00 O ATOM 992 CB LEU A 481 -8.312 -47.017 -22.586 1.00 25.00 C ATOM 993 CG LEU A 481 -8.806 -45.664 -23.067 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.310 -45.719 -23.245 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.417 -44.531 -22.124 1.00 25.00 C ATOM 0 H LEU A 481 -7.495 -47.261 -24.957 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.285 -46.373 -22.495 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.905 -47.813 -23.036 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.437 -47.098 -21.506 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.325 -45.449 -24.021 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.671 -44.750 -23.590 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.562 -46.483 -23.980 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.780 -45.963 -22.293 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.795 -43.586 -22.515 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.846 -44.714 -21.139 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.331 -44.482 -22.043 1.00 25.00 H new ATOM 1007 N MET A 482 -6.639 -49.562 -23.176 1.00 25.00 N ATOM 1008 CA MET A 482 -6.208 -50.897 -22.775 1.00 25.00 C ATOM 1009 C MET A 482 -4.711 -51.007 -22.739 1.00 25.00 C ATOM 1010 O MET A 482 -4.158 -51.798 -21.972 1.00 25.00 O ATOM 1011 CB MET A 482 -6.749 -51.945 -23.735 1.00 25.00 C ATOM 1012 CG MET A 482 -8.218 -51.901 -23.767 1.00 25.00 C ATOM 1013 SD MET A 482 -8.984 -53.441 -24.295 1.00 25.00 S ATOM 1014 CE MET A 482 -8.787 -53.329 -26.077 1.00 25.00 C ATOM 0 H MET A 482 -7.166 -49.528 -24.048 1.00 25.00 H new ATOM 0 HA MET A 482 -6.601 -51.070 -21.773 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.352 -51.771 -24.735 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.415 -52.936 -23.427 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.586 -51.646 -22.773 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.533 -51.102 -24.438 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.183 -54.231 -26.544 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.329 -52.460 -26.449 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.729 -53.228 -26.321 1.00 25.00 H new ATOM 1024 N THR A 483 -4.045 -50.216 -23.560 1.00 25.00 N ATOM 1025 CA THR A 483 -2.594 -50.318 -23.641 1.00 25.00 C ATOM 1026 C THR A 483 -1.954 -49.573 -22.487 1.00 25.00 C ATOM 1027 O THR A 483 -0.938 -50.010 -21.963 1.00 25.00 O ATOM 1028 CB THR A 483 -2.067 -49.818 -24.990 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.573 -48.509 -25.246 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.534 -50.741 -26.111 1.00 25.00 C ATOM 0 H THR A 483 -4.468 -49.513 -24.166 1.00 25.00 H new ATOM 0 HA THR A 483 -2.322 -51.371 -23.566 1.00 25.00 H new ATOM 0 HB THR A 483 -0.978 -49.803 -24.953 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.234 -48.190 -26.108 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.154 -50.376 -27.065 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.159 -51.749 -25.932 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.624 -50.759 -26.138 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.552 -48.467 -22.064 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.024 -47.734 -20.914 1.00 25.00 C ATOM 1040 C GLN A 484 -2.484 -48.373 -19.597 1.00 25.00 C ATOM 1041 O GLN A 484 -1.829 -48.214 -18.577 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.390 -46.242 -20.981 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.863 -45.929 -20.821 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.180 -44.487 -21.128 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.244 -43.652 -20.244 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.392 -44.192 -22.383 1.00 25.00 N ATOM 0 H GLN A 484 -3.386 -48.061 -22.488 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.936 -47.798 -20.948 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.837 -45.714 -20.204 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.053 -45.845 -21.938 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.443 -46.574 -21.481 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.172 -46.157 -19.801 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.329 -44.919 -23.095 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.620 -43.234 -22.650 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.594 -49.111 -19.608 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.036 -49.803 -18.409 1.00 25.00 C ATOM 1057 C PHE A 485 -3.244 -51.088 -18.199 1.00 25.00 C ATOM 1058 O PHE A 485 -3.108 -51.560 -17.076 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.525 -50.147 -18.496 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.413 -49.168 -17.775 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.199 -48.243 -18.488 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.473 -49.173 -16.368 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.030 -47.320 -17.807 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.305 -48.259 -15.674 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.084 -47.331 -16.397 1.00 25.00 C ATOM 0 H PHE A 485 -4.192 -49.241 -20.424 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.867 -49.133 -17.566 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.819 -50.187 -19.545 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.684 -51.143 -18.082 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.168 -48.237 -19.568 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -5.878 -49.882 -15.811 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.621 -46.609 -18.366 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.343 -48.273 -14.595 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.719 -46.632 -15.873 1.00 25.00 H new