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 -132:sc= 0 (180deg=-0.24) USER MOD Single : A 433 MET CE :methyl -176:sc= -0.032 (180deg=-0.0383) USER MOD Single : A 434 THR OG1 : rot 73:sc= 1.1 USER MOD Single : A 436 GLN : amide:sc= 0.651 K(o=0.65,f=0) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 477 HIS : no HD1:sc= -0.181 X(o=-0.18,f=-0.0048) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot -84:sc= 0.222 USER MOD Single : A 484 GLN : amide:sc= 0.34 X(o=0.34,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 24.314 -40.704 -37.366 1.00 25.00 N ATOM 114 CA GLU A 419 23.349 -39.677 -36.960 1.00 25.00 C ATOM 115 C GLU A 419 22.166 -39.659 -37.918 1.00 25.00 C ATOM 116 O GLU A 419 21.033 -39.459 -37.533 1.00 25.00 O ATOM 117 CB GLU A 419 23.983 -38.278 -36.970 1.00 25.00 C ATOM 118 CG GLU A 419 25.491 -38.230 -36.757 1.00 25.00 C ATOM 119 CD GLU A 419 25.952 -38.926 -35.490 1.00 25.00 C ATOM 120 OE1 GLU A 419 26.805 -39.831 -35.613 1.00 25.00 O ATOM 121 OE2 GLU A 419 25.486 -38.575 -34.391 1.00 25.00 O ATOM 0 HA GLU A 419 23.024 -39.923 -35.949 1.00 25.00 H new ATOM 0 HB2 GLU A 419 23.755 -37.804 -37.924 1.00 25.00 H new ATOM 0 HB3 GLU A 419 23.507 -37.679 -36.194 1.00 25.00 H new ATOM 0 HG2 GLU A 419 25.984 -38.690 -37.613 1.00 25.00 H new ATOM 0 HG3 GLU A 419 25.811 -37.189 -36.726 1.00 25.00 H new ATOM 128 N VAL A 420 22.459 -39.864 -39.192 1.00 25.00 N ATOM 129 CA VAL A 420 21.432 -39.835 -40.234 1.00 25.00 C ATOM 130 C VAL A 420 20.513 -41.048 -40.093 1.00 25.00 C ATOM 131 O VAL A 420 19.314 -40.974 -40.350 1.00 25.00 O ATOM 132 CB VAL A 420 22.073 -39.821 -41.651 1.00 25.00 C ATOM 133 CG1 VAL A 420 21.009 -39.551 -42.720 1.00 25.00 C ATOM 134 CG2 VAL A 420 23.168 -38.737 -41.731 1.00 25.00 C ATOM 0 H VAL A 420 23.401 -40.053 -39.535 1.00 25.00 H new ATOM 0 HA VAL A 420 20.850 -38.921 -40.113 1.00 25.00 H new ATOM 0 HB VAL A 420 22.519 -40.799 -41.833 1.00 25.00 H new ATOM 0 HG11 VAL A 420 21.476 -39.545 -43.705 1.00 25.00 H new ATOM 0 HG12 VAL A 420 20.250 -40.332 -42.683 1.00 25.00 H new ATOM 0 HG13 VAL A 420 20.543 -38.583 -42.533 1.00 25.00 H new ATOM 0 HG21 VAL A 420 23.609 -38.738 -42.728 1.00 25.00 H new ATOM 0 HG22 VAL A 420 22.728 -37.760 -41.529 1.00 25.00 H new ATOM 0 HG23 VAL A 420 23.942 -38.946 -40.992 1.00 25.00 H new ATOM 144 N SER A 421 21.080 -42.165 -39.667 1.00 25.00 N ATOM 145 CA SER A 421 20.303 -43.380 -39.466 1.00 25.00 C ATOM 146 C SER A 421 19.376 -43.207 -38.271 1.00 25.00 C ATOM 147 O SER A 421 18.244 -43.678 -38.281 1.00 25.00 O ATOM 148 CB SER A 421 21.231 -44.565 -39.223 1.00 25.00 C ATOM 149 OG SER A 421 22.128 -44.732 -40.313 1.00 25.00 O ATOM 0 H SER A 421 22.073 -42.257 -39.454 1.00 25.00 H new ATOM 0 HA SER A 421 19.711 -43.570 -40.361 1.00 25.00 H new ATOM 0 HB2 SER A 421 21.794 -44.410 -38.303 1.00 25.00 H new ATOM 0 HB3 SER A 421 20.643 -45.472 -39.087 1.00 25.00 H new ATOM 0 HG SER A 421 22.717 -45.496 -40.138 1.00 25.00 H new ATOM 155 N ASP A 422 19.857 -42.517 -37.248 1.00 25.00 N ATOM 156 CA ASP A 422 19.047 -42.257 -36.059 1.00 25.00 C ATOM 157 C ASP A 422 17.960 -41.245 -36.398 1.00 25.00 C ATOM 158 O ASP A 422 16.865 -41.295 -35.869 1.00 25.00 O ATOM 159 CB ASP A 422 19.918 -41.724 -34.922 1.00 25.00 C ATOM 160 CG ASP A 422 19.191 -41.731 -33.588 1.00 25.00 C ATOM 161 OD1 ASP A 422 18.614 -42.784 -33.233 1.00 25.00 O ATOM 162 OD2 ASP A 422 19.205 -40.697 -32.890 1.00 25.00 O ATOM 0 H ASP A 422 20.799 -42.127 -37.213 1.00 25.00 H new ATOM 0 HA ASP A 422 18.588 -43.190 -35.733 1.00 25.00 H new ATOM 0 HB2 ASP A 422 20.821 -42.329 -34.844 1.00 25.00 H new ATOM 0 HB3 ASP A 422 20.235 -40.708 -35.156 1.00 25.00 H new ATOM 167 N MET A 423 18.262 -40.336 -37.315 1.00 25.00 N ATOM 168 CA MET A 423 17.290 -39.329 -37.751 1.00 25.00 C ATOM 169 C MET A 423 16.053 -40.000 -38.344 1.00 25.00 C ATOM 170 O MET A 423 14.940 -39.507 -38.203 1.00 25.00 O ATOM 171 CB MET A 423 17.904 -38.411 -38.809 1.00 25.00 C ATOM 172 CG MET A 423 17.713 -36.927 -38.529 1.00 25.00 C ATOM 173 SD MET A 423 18.938 -36.280 -37.361 1.00 25.00 S ATOM 174 CE MET A 423 20.425 -36.182 -38.400 1.00 25.00 C ATOM 0 H MET A 423 19.170 -40.271 -37.774 1.00 25.00 H new ATOM 0 HA MET A 423 17.006 -38.742 -36.878 1.00 25.00 H new ATOM 0 HB2 MET A 423 18.971 -38.622 -38.883 1.00 25.00 H new ATOM 0 HB3 MET A 423 17.465 -38.647 -39.778 1.00 25.00 H new ATOM 0 HG2 MET A 423 17.779 -36.372 -39.465 1.00 25.00 H new ATOM 0 HG3 MET A 423 16.712 -36.761 -38.130 1.00 25.00 H new ATOM 0 HE1 MET A 423 21.267 -36.633 -37.874 1.00 25.00 H new ATOM 0 HE2 MET A 423 20.252 -36.717 -39.334 1.00 25.00 H new ATOM 0 HE3 MET A 423 20.649 -35.138 -38.616 1.00 25.00 H new ATOM 184 N ALA A 424 16.249 -41.136 -38.999 1.00 25.00 N ATOM 185 CA ALA A 424 15.134 -41.881 -39.575 1.00 25.00 C ATOM 186 C ALA A 424 14.242 -42.451 -38.463 1.00 25.00 C ATOM 187 O ALA A 424 13.030 -42.578 -38.628 1.00 25.00 O ATOM 188 CB ALA A 424 15.664 -43.006 -40.471 1.00 25.00 C ATOM 0 H ALA A 424 17.164 -41.562 -39.145 1.00 25.00 H new ATOM 0 HA ALA A 424 14.533 -41.205 -40.183 1.00 25.00 H new ATOM 0 HB1 ALA A 424 14.826 -43.557 -40.897 1.00 25.00 H new ATOM 0 HB2 ALA A 424 16.264 -42.579 -41.275 1.00 25.00 H new ATOM 0 HB3 ALA A 424 16.280 -43.683 -39.879 1.00 25.00 H new ATOM 194 N ALA A 425 14.843 -42.782 -37.327 1.00 25.00 N ATOM 195 CA ALA A 425 14.088 -43.294 -36.189 1.00 25.00 C ATOM 196 C ALA A 425 13.303 -42.143 -35.551 1.00 25.00 C ATOM 197 O ALA A 425 12.175 -42.334 -35.109 1.00 25.00 O ATOM 198 CB ALA A 425 15.034 -43.945 -35.164 1.00 25.00 C ATOM 0 H ALA A 425 15.848 -42.706 -37.169 1.00 25.00 H new ATOM 0 HA ALA A 425 13.390 -44.059 -36.529 1.00 25.00 H new ATOM 0 HB1 ALA A 425 14.454 -44.322 -34.321 1.00 25.00 H new ATOM 0 HB2 ALA A 425 15.568 -44.770 -35.635 1.00 25.00 H new ATOM 0 HB3 ALA A 425 15.751 -43.205 -34.809 1.00 25.00 H new ATOM 204 N VAL A 426 13.893 -40.954 -35.520 1.00 25.00 N ATOM 205 CA VAL A 426 13.214 -39.771 -34.985 1.00 25.00 C ATOM 206 C VAL A 426 12.001 -39.461 -35.857 1.00 25.00 C ATOM 207 O VAL A 426 10.921 -39.197 -35.347 1.00 25.00 O ATOM 208 CB VAL A 426 14.162 -38.532 -34.945 1.00 25.00 C ATOM 209 CG1 VAL A 426 13.421 -37.289 -34.440 1.00 25.00 C ATOM 210 CG2 VAL A 426 15.361 -38.809 -34.038 1.00 25.00 C ATOM 0 H VAL A 426 14.839 -40.779 -35.858 1.00 25.00 H new ATOM 0 HA VAL A 426 12.904 -39.984 -33.962 1.00 25.00 H new ATOM 0 HB VAL A 426 14.509 -38.346 -35.961 1.00 25.00 H new ATOM 0 HG11 VAL A 426 14.105 -36.440 -34.422 1.00 25.00 H new ATOM 0 HG12 VAL A 426 12.586 -37.068 -35.105 1.00 25.00 H new ATOM 0 HG13 VAL A 426 13.045 -37.473 -33.434 1.00 25.00 H new ATOM 0 HG21 VAL A 426 16.013 -37.936 -34.020 1.00 25.00 H new ATOM 0 HG22 VAL A 426 15.012 -39.022 -33.028 1.00 25.00 H new ATOM 0 HG23 VAL A 426 15.914 -39.667 -34.419 1.00 25.00 H new ATOM 220 N GLU A 427 12.176 -39.516 -37.169 1.00 25.00 N ATOM 221 CA GLU A 427 11.064 -39.278 -38.100 1.00 25.00 C ATOM 222 C GLU A 427 9.942 -40.278 -37.837 1.00 25.00 C ATOM 223 O GLU A 427 8.776 -39.910 -37.755 1.00 25.00 O ATOM 224 CB GLU A 427 11.542 -39.430 -39.549 1.00 25.00 C ATOM 225 CG GLU A 427 12.253 -38.198 -40.112 1.00 25.00 C ATOM 226 CD GLU A 427 11.320 -37.245 -40.868 1.00 25.00 C ATOM 227 OE1 GLU A 427 11.847 -36.350 -41.570 1.00 25.00 O ATOM 228 OE2 GLU A 427 10.081 -37.386 -40.778 1.00 25.00 O ATOM 0 H GLU A 427 13.068 -39.721 -37.619 1.00 25.00 H new ATOM 0 HA GLU A 427 10.695 -38.264 -37.946 1.00 25.00 H new ATOM 0 HB2 GLU A 427 12.218 -40.283 -39.608 1.00 25.00 H new ATOM 0 HB3 GLU A 427 10.683 -39.659 -40.180 1.00 25.00 H new ATOM 0 HG2 GLU A 427 12.727 -37.656 -39.293 1.00 25.00 H new ATOM 0 HG3 GLU A 427 13.049 -38.522 -40.783 1.00 25.00 H new ATOM 235 N ALA A 428 10.295 -41.547 -37.688 1.00 25.00 N ATOM 236 CA ALA A 428 9.297 -42.580 -37.433 1.00 25.00 C ATOM 237 C ALA A 428 8.576 -42.322 -36.103 1.00 25.00 C ATOM 238 O ALA A 428 7.364 -42.534 -35.992 1.00 25.00 O ATOM 239 CB ALA A 428 9.964 -43.961 -37.425 1.00 25.00 C ATOM 0 H ALA A 428 11.256 -41.886 -37.738 1.00 25.00 H new ATOM 0 HA ALA A 428 8.554 -42.552 -38.230 1.00 25.00 H new ATOM 0 HB1 ALA A 428 9.212 -44.727 -37.234 1.00 25.00 H new ATOM 0 HB2 ALA A 428 10.432 -44.145 -38.392 1.00 25.00 H new ATOM 0 HB3 ALA A 428 10.723 -43.994 -36.643 1.00 25.00 H new ATOM 245 N ALA A 429 9.318 -41.857 -35.109 1.00 25.00 N ATOM 246 CA ALA A 429 8.751 -41.564 -33.802 1.00 25.00 C ATOM 247 C ALA A 429 7.776 -40.388 -33.887 1.00 25.00 C ATOM 248 O ALA A 429 6.695 -40.448 -33.324 1.00 25.00 O ATOM 249 CB ALA A 429 9.870 -41.264 -32.795 1.00 25.00 C ATOM 0 H ALA A 429 10.319 -41.674 -35.184 1.00 25.00 H new ATOM 0 HA ALA A 429 8.198 -42.439 -33.460 1.00 25.00 H new ATOM 0 HB1 ALA A 429 9.434 -41.046 -31.820 1.00 25.00 H new ATOM 0 HB2 ALA A 429 10.527 -42.130 -32.713 1.00 25.00 H new ATOM 0 HB3 ALA A 429 10.445 -40.403 -33.136 1.00 25.00 H new ATOM 255 N GLU A 430 8.148 -39.331 -34.594 1.00 25.00 N ATOM 256 CA GLU A 430 7.285 -38.152 -34.737 1.00 25.00 C ATOM 257 C GLU A 430 6.000 -38.534 -35.444 1.00 25.00 C ATOM 258 O GLU A 430 4.898 -38.133 -35.055 1.00 25.00 O ATOM 259 CB GLU A 430 7.984 -37.076 -35.566 1.00 25.00 C ATOM 260 CG GLU A 430 9.152 -36.425 -34.874 1.00 25.00 C ATOM 261 CD GLU A 430 8.739 -35.207 -34.053 1.00 25.00 C ATOM 262 OE1 GLU A 430 7.975 -35.375 -33.072 1.00 25.00 O ATOM 263 OE2 GLU A 430 9.179 -34.083 -34.381 1.00 25.00 O ATOM 0 H GLU A 430 9.041 -39.259 -35.081 1.00 25.00 H new ATOM 0 HA GLU A 430 7.069 -37.768 -33.740 1.00 25.00 H new ATOM 0 HB2 GLU A 430 8.331 -37.520 -36.499 1.00 25.00 H new ATOM 0 HB3 GLU A 430 7.258 -36.307 -35.829 1.00 25.00 H new ATOM 0 HG2 GLU A 430 9.635 -37.152 -34.222 1.00 25.00 H new ATOM 0 HG3 GLU A 430 9.890 -36.125 -35.618 1.00 25.00 H new ATOM 270 N LEU A 431 6.144 -39.329 -36.489 1.00 25.00 N ATOM 271 CA LEU A 431 4.990 -39.803 -37.248 1.00 25.00 C ATOM 272 C LEU A 431 4.052 -40.630 -36.365 1.00 25.00 C ATOM 273 O LEU A 431 2.823 -40.467 -36.435 1.00 25.00 O ATOM 274 CB LEU A 431 5.447 -40.631 -38.455 1.00 25.00 C ATOM 275 CG LEU A 431 6.100 -39.841 -39.609 1.00 25.00 C ATOM 276 CD1 LEU A 431 6.725 -40.817 -40.605 1.00 25.00 C ATOM 277 CD2 LEU A 431 5.080 -38.951 -40.331 1.00 25.00 C ATOM 0 H LEU A 431 7.044 -39.662 -36.834 1.00 25.00 H new ATOM 0 HA LEU A 431 4.441 -38.931 -37.605 1.00 25.00 H new ATOM 0 HB2 LEU A 431 6.157 -41.382 -38.108 1.00 25.00 H new ATOM 0 HB3 LEU A 431 4.584 -41.167 -38.851 1.00 25.00 H new ATOM 0 HG LEU A 431 6.869 -39.195 -39.185 1.00 25.00 H new ATOM 0 HD11 LEU A 431 7.186 -40.259 -41.420 1.00 25.00 H new ATOM 0 HD12 LEU A 431 7.483 -41.416 -40.101 1.00 25.00 H new ATOM 0 HD13 LEU A 431 5.952 -41.473 -41.006 1.00 25.00 H new ATOM 0 HD21 LEU A 431 5.575 -38.410 -41.137 1.00 25.00 H new ATOM 0 HD22 LEU A 431 4.285 -39.571 -40.745 1.00 25.00 H new ATOM 0 HD23 LEU A 431 4.654 -38.239 -39.624 1.00 25.00 H new ATOM 289 N GLU A 432 4.592 -41.506 -35.525 1.00 25.00 N ATOM 290 CA GLU A 432 3.731 -42.300 -34.650 1.00 25.00 C ATOM 291 C GLU A 432 3.146 -41.439 -33.522 1.00 25.00 C ATOM 292 O GLU A 432 2.015 -41.669 -33.076 1.00 25.00 O ATOM 293 CB GLU A 432 4.397 -43.589 -34.137 1.00 25.00 C ATOM 294 CG GLU A 432 5.238 -43.498 -32.870 1.00 25.00 C ATOM 295 CD GLU A 432 5.223 -44.821 -32.119 1.00 25.00 C ATOM 296 OE1 GLU A 432 4.746 -44.839 -30.961 1.00 25.00 O ATOM 297 OE2 GLU A 432 5.664 -45.844 -32.687 1.00 25.00 O ATOM 0 H GLU A 432 5.592 -41.683 -35.430 1.00 25.00 H new ATOM 0 HA GLU A 432 2.898 -42.647 -35.261 1.00 25.00 H new ATOM 0 HB2 GLU A 432 3.613 -44.326 -33.966 1.00 25.00 H new ATOM 0 HB3 GLU A 432 5.032 -43.978 -34.933 1.00 25.00 H new ATOM 0 HG2 GLU A 432 6.263 -43.231 -33.126 1.00 25.00 H new ATOM 0 HG3 GLU A 432 4.853 -42.705 -32.228 1.00 25.00 H new ATOM 304 N MET A 433 3.892 -40.441 -33.071 1.00 25.00 N ATOM 305 CA MET A 433 3.401 -39.526 -32.046 1.00 25.00 C ATOM 306 C MET A 433 2.198 -38.785 -32.596 1.00 25.00 C ATOM 307 O MET A 433 1.178 -38.669 -31.932 1.00 25.00 O ATOM 308 CB MET A 433 4.473 -38.500 -31.653 1.00 25.00 C ATOM 309 CG MET A 433 4.743 -38.433 -30.160 1.00 25.00 C ATOM 310 SD MET A 433 5.638 -39.879 -29.554 1.00 25.00 S ATOM 311 CE MET A 433 7.337 -39.486 -30.070 1.00 25.00 C ATOM 0 H MET A 433 4.838 -40.243 -33.397 1.00 25.00 H new ATOM 0 HA MET A 433 3.137 -40.105 -31.161 1.00 25.00 H new ATOM 0 HB2 MET A 433 5.401 -38.743 -32.170 1.00 25.00 H new ATOM 0 HB3 MET A 433 4.164 -37.514 -32.001 1.00 25.00 H new ATOM 0 HG2 MET A 433 5.318 -37.534 -29.938 1.00 25.00 H new ATOM 0 HG3 MET A 433 3.797 -38.345 -29.626 1.00 25.00 H new ATOM 0 HE1 MET A 433 7.993 -40.322 -29.827 1.00 25.00 H new ATOM 0 HE2 MET A 433 7.359 -39.308 -31.145 1.00 25.00 H new ATOM 0 HE3 MET A 433 7.679 -38.593 -29.547 1.00 25.00 H new ATOM 321 N THR A 434 2.315 -38.289 -33.820 1.00 25.00 N ATOM 322 CA THR A 434 1.246 -37.510 -34.441 1.00 25.00 C ATOM 323 C THR A 434 -0.062 -38.294 -34.552 1.00 25.00 C ATOM 324 O THR A 434 -1.132 -37.777 -34.234 1.00 25.00 O ATOM 325 CB THR A 434 1.656 -37.009 -35.841 1.00 25.00 C ATOM 326 OG1 THR A 434 2.902 -36.313 -35.750 1.00 25.00 O ATOM 327 CG2 THR A 434 0.625 -36.033 -36.390 1.00 25.00 C ATOM 0 H THR A 434 3.141 -38.411 -34.406 1.00 25.00 H new ATOM 0 HA THR A 434 1.078 -36.657 -33.784 1.00 25.00 H new ATOM 0 HB THR A 434 1.733 -37.874 -36.499 1.00 25.00 H new ATOM 0 HG1 THR A 434 3.626 -36.956 -35.599 1.00 25.00 H new ATOM 0 HG21 THR A 434 0.936 -35.693 -37.378 1.00 25.00 H new ATOM 0 HG22 THR A 434 -0.342 -36.529 -36.464 1.00 25.00 H new ATOM 0 HG23 THR A 434 0.543 -35.176 -35.721 1.00 25.00 H new ATOM 335 N ARG A 435 -0.005 -39.545 -34.982 1.00 25.00 N ATOM 336 CA ARG A 435 -1.244 -40.331 -35.087 1.00 25.00 C ATOM 337 C ARG A 435 -1.809 -40.594 -33.693 1.00 25.00 C ATOM 338 O ARG A 435 -3.014 -40.690 -33.528 1.00 25.00 O ATOM 339 CB ARG A 435 -1.038 -41.648 -35.858 1.00 25.00 C ATOM 340 CG ARG A 435 0.055 -42.531 -35.296 1.00 25.00 C ATOM 341 CD ARG A 435 0.225 -43.842 -36.036 1.00 25.00 C ATOM 342 NE ARG A 435 -0.849 -44.796 -35.712 1.00 25.00 N ATOM 343 CZ ARG A 435 -0.810 -46.101 -35.958 1.00 25.00 C ATOM 344 NH1 ARG A 435 0.221 -46.676 -36.527 1.00 25.00 N ATOM 345 NH2 ARG A 435 -1.826 -46.844 -35.612 1.00 25.00 N ATOM 0 H ARG A 435 0.848 -40.032 -35.257 1.00 25.00 H new ATOM 0 HA ARG A 435 -1.963 -39.746 -35.661 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -1.975 -42.205 -35.860 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -0.803 -41.415 -36.897 1.00 25.00 H new ATOM 0 HG2 ARG A 435 0.998 -41.986 -35.321 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -0.164 -42.741 -34.249 1.00 25.00 H new ATOM 0 HD2 ARG A 435 0.233 -43.655 -37.110 1.00 25.00 H new ATOM 0 HD3 ARG A 435 1.190 -44.281 -35.781 1.00 25.00 H new ATOM 0 HE ARG A 435 -1.688 -44.426 -35.264 1.00 25.00 H new ATOM 0 HH11 ARG A 435 1.031 -46.118 -36.797 1.00 25.00 H new ATOM 0 HH12 ARG A 435 0.213 -47.681 -36.699 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -2.636 -46.421 -35.159 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -1.810 -47.847 -35.795 1.00 25.00 H new ATOM 359 N GLN A 436 -0.950 -40.704 -32.691 1.00 25.00 N ATOM 360 CA GLN A 436 -1.416 -40.933 -31.329 1.00 25.00 C ATOM 361 C GLN A 436 -2.079 -39.705 -30.696 1.00 25.00 C ATOM 362 O GLN A 436 -3.126 -39.823 -30.067 1.00 25.00 O ATOM 363 CB GLN A 436 -0.296 -41.453 -30.464 1.00 25.00 C ATOM 364 CG GLN A 436 -0.224 -42.951 -30.601 1.00 25.00 C ATOM 365 CD GLN A 436 0.978 -43.519 -29.960 1.00 25.00 C ATOM 366 OE1 GLN A 436 0.904 -44.149 -28.918 1.00 25.00 O ATOM 367 NE2 GLN A 436 2.089 -43.317 -30.574 1.00 25.00 N ATOM 0 H GLN A 436 0.063 -40.640 -32.791 1.00 25.00 H new ATOM 0 HA GLN A 436 -2.195 -41.692 -31.394 1.00 25.00 H new ATOM 0 HB2 GLN A 436 0.650 -41.002 -30.762 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -0.466 -41.178 -29.423 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -1.114 -43.397 -30.157 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -0.228 -43.217 -31.658 1.00 25.00 H new ATOM 0 HE21 GLN A 436 2.102 -42.784 -31.443 1.00 25.00 H new ATOM 0 HE22 GLN A 436 2.958 -43.690 -30.192 1.00 25.00 H new ATOM 376 N VAL A 437 -1.477 -38.533 -30.858 1.00 25.00 N ATOM 377 CA VAL A 437 -2.005 -37.310 -30.233 1.00 25.00 C ATOM 378 C VAL A 437 -3.349 -36.875 -30.797 1.00 25.00 C ATOM 379 O VAL A 437 -4.178 -36.324 -30.081 1.00 25.00 O ATOM 380 CB VAL A 437 -1.009 -36.110 -30.339 1.00 25.00 C ATOM 381 CG1 VAL A 437 0.256 -36.397 -29.516 1.00 25.00 C ATOM 382 CG2 VAL A 437 -0.629 -35.782 -31.767 1.00 25.00 C ATOM 0 H VAL A 437 -0.630 -38.396 -31.410 1.00 25.00 H new ATOM 0 HA VAL A 437 -2.141 -37.580 -29.186 1.00 25.00 H new ATOM 0 HB VAL A 437 -1.526 -35.238 -29.937 1.00 25.00 H new ATOM 0 HG11 VAL A 437 0.942 -35.554 -29.598 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -0.016 -36.544 -28.471 1.00 25.00 H new ATOM 0 HG13 VAL A 437 0.740 -37.297 -29.895 1.00 25.00 H new ATOM 0 HG21 VAL A 437 0.064 -34.941 -31.775 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -0.153 -36.649 -32.225 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -1.524 -35.520 -32.331 1.00 25.00 H new ATOM 392 N LEU A 438 -3.565 -37.131 -32.074 1.00 25.00 N ATOM 393 CA LEU A 438 -4.826 -36.778 -32.729 1.00 25.00 C ATOM 394 C LEU A 438 -5.995 -37.629 -32.235 1.00 25.00 C ATOM 395 O LEU A 438 -7.146 -37.222 -32.338 1.00 25.00 O ATOM 396 CB LEU A 438 -4.693 -36.945 -34.247 1.00 25.00 C ATOM 397 CG LEU A 438 -3.793 -35.922 -34.963 1.00 25.00 C ATOM 398 CD1 LEU A 438 -3.564 -36.368 -36.406 1.00 25.00 C ATOM 399 CD2 LEU A 438 -4.408 -34.518 -34.948 1.00 25.00 C ATOM 0 H LEU A 438 -2.886 -37.583 -32.686 1.00 25.00 H new ATOM 0 HA LEU A 438 -5.036 -35.738 -32.477 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -4.306 -37.944 -34.450 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -5.689 -36.893 -34.687 1.00 25.00 H new ATOM 0 HG LEU A 438 -2.844 -35.876 -34.430 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -2.927 -35.644 -36.914 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -3.080 -37.345 -36.413 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -4.521 -36.434 -36.923 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -3.743 -33.824 -35.463 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -5.374 -34.538 -35.453 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -4.545 -34.192 -33.917 1.00 25.00 H new ATOM 720 N ALA A 462 -18.787 -32.637 -45.017 1.00 25.00 N ATOM 721 CA ALA A 462 -17.606 -32.897 -44.203 1.00 25.00 C ATOM 722 C ALA A 462 -18.007 -33.503 -42.852 1.00 25.00 C ATOM 723 O ALA A 462 -17.377 -34.446 -42.384 1.00 25.00 O ATOM 724 CB ALA A 462 -16.808 -31.600 -43.999 1.00 25.00 C ATOM 0 HA ALA A 462 -16.974 -33.616 -44.724 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.928 -31.806 -43.390 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.495 -31.209 -44.967 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.434 -30.863 -43.495 1.00 25.00 H new ATOM 730 N LEU A 463 -19.058 -32.977 -42.231 1.00 25.00 N ATOM 731 CA LEU A 463 -19.515 -33.502 -40.947 1.00 25.00 C ATOM 732 C LEU A 463 -19.998 -34.935 -41.101 1.00 25.00 C ATOM 733 O LEU A 463 -19.809 -35.736 -40.212 1.00 25.00 O ATOM 734 CB LEU A 463 -20.589 -32.593 -40.319 1.00 25.00 C ATOM 735 CG LEU A 463 -22.092 -32.893 -40.503 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.631 -33.945 -39.523 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.858 -31.616 -40.295 1.00 25.00 C ATOM 0 H LEU A 463 -19.605 -32.195 -42.591 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.671 -33.510 -40.258 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.398 -32.567 -39.246 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.416 -31.586 -40.698 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.219 -33.295 -41.508 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.693 -34.106 -39.710 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.092 -34.882 -39.662 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.491 -33.595 -38.500 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.924 -31.806 -40.421 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.673 -31.240 -39.289 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.533 -30.874 -41.025 1.00 25.00 H new ATOM 749 N GLN A 464 -20.598 -35.284 -42.230 1.00 25.00 N ATOM 750 CA GLN A 464 -21.012 -36.676 -42.443 1.00 25.00 C ATOM 751 C GLN A 464 -19.795 -37.604 -42.424 1.00 25.00 C ATOM 752 O GLN A 464 -19.885 -38.749 -41.989 1.00 25.00 O ATOM 753 CB GLN A 464 -21.791 -36.835 -43.748 1.00 25.00 C ATOM 754 CG GLN A 464 -23.179 -36.213 -43.697 1.00 25.00 C ATOM 755 CD GLN A 464 -24.270 -37.232 -43.955 1.00 25.00 C ATOM 756 OE1 GLN A 464 -24.406 -37.744 -45.060 1.00 25.00 O ATOM 757 NE2 GLN A 464 -25.052 -37.523 -42.951 1.00 25.00 N ATOM 0 H GLN A 464 -20.808 -34.647 -42.998 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.678 -36.955 -41.626 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.225 -36.378 -44.560 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.884 -37.896 -43.982 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.335 -35.755 -42.720 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -23.246 -35.416 -44.437 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.907 -37.076 -42.046 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.808 -38.198 -43.072 1.00 25.00 H new ATOM 766 N GLY A 465 -18.655 -37.095 -42.864 1.00 25.00 N ATOM 767 CA GLY A 465 -17.423 -37.851 -42.791 1.00 25.00 C ATOM 768 C GLY A 465 -17.000 -37.931 -41.341 1.00 25.00 C ATOM 769 O GLY A 465 -16.654 -38.996 -40.865 1.00 25.00 O ATOM 0 H GLY A 465 -18.561 -36.165 -43.273 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.566 -38.851 -43.200 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.647 -37.371 -43.387 1.00 25.00 H new ATOM 773 N ALA A 466 -17.055 -36.807 -40.635 1.00 25.00 N ATOM 774 CA ALA A 466 -16.690 -36.753 -39.216 1.00 25.00 C ATOM 775 C ALA A 466 -17.482 -37.782 -38.395 1.00 25.00 C ATOM 776 O ALA A 466 -16.948 -38.418 -37.505 1.00 25.00 O ATOM 777 CB ALA A 466 -16.922 -35.341 -38.662 1.00 25.00 C ATOM 0 H ALA A 466 -17.351 -35.911 -41.023 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.632 -37.000 -39.132 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.647 -35.314 -37.608 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.310 -34.628 -39.215 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.974 -35.076 -38.770 1.00 25.00 H new ATOM 783 N GLN A 467 -18.754 -37.948 -38.711 1.00 25.00 N ATOM 784 CA GLN A 467 -19.598 -38.924 -38.020 1.00 25.00 C ATOM 785 C GLN A 467 -19.128 -40.353 -38.291 1.00 25.00 C ATOM 786 O GLN A 467 -19.076 -41.188 -37.390 1.00 25.00 O ATOM 787 CB GLN A 467 -21.023 -38.799 -38.532 1.00 25.00 C ATOM 788 CG GLN A 467 -21.715 -37.469 -38.212 1.00 25.00 C ATOM 789 CD GLN A 467 -22.050 -37.287 -36.752 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.437 -38.216 -36.066 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.913 -36.075 -36.278 1.00 25.00 N ATOM 0 H GLN A 467 -19.232 -37.421 -39.442 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.540 -38.723 -36.950 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.017 -38.937 -39.613 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.617 -39.610 -38.110 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.071 -36.650 -38.531 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.633 -37.399 -38.796 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.586 -35.324 -36.885 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.133 -35.882 -35.301 1.00 25.00 H new ATOM 800 N ALA A 468 -18.795 -40.638 -39.542 1.00 25.00 N ATOM 801 CA ALA A 468 -18.368 -41.978 -39.929 1.00 25.00 C ATOM 802 C ALA A 468 -17.019 -42.318 -39.293 1.00 25.00 C ATOM 803 O ALA A 468 -16.825 -43.414 -38.767 1.00 25.00 O ATOM 804 CB ALA A 468 -18.283 -42.077 -41.461 1.00 25.00 C ATOM 0 H ALA A 468 -18.812 -39.962 -40.306 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.103 -42.698 -39.570 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.964 -43.080 -41.744 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.262 -41.873 -41.894 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.563 -41.349 -41.833 1.00 25.00 H new ATOM 810 N VAL A 469 -16.089 -41.374 -39.331 1.00 25.00 N ATOM 811 CA VAL A 469 -14.766 -41.604 -38.760 1.00 25.00 C ATOM 812 C VAL A 469 -14.855 -41.675 -37.245 1.00 25.00 C ATOM 813 O VAL A 469 -14.069 -42.362 -36.629 1.00 25.00 O ATOM 814 CB VAL A 469 -13.704 -40.546 -39.203 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.640 -40.468 -40.732 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.005 -39.179 -38.638 1.00 25.00 C ATOM 0 H VAL A 469 -16.222 -40.452 -39.746 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.419 -42.560 -39.151 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.739 -40.868 -38.811 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.897 -39.728 -41.028 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.362 -41.442 -41.135 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.616 -40.179 -41.123 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.244 -38.473 -38.969 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.983 -38.848 -38.987 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.006 -39.227 -37.549 1.00 25.00 H new ATOM 826 N ALA A 470 -15.811 -40.977 -36.640 1.00 25.00 N ATOM 827 CA ALA A 470 -15.966 -40.989 -35.182 1.00 25.00 C ATOM 828 C ALA A 470 -16.157 -42.409 -34.647 1.00 25.00 C ATOM 829 O ALA A 470 -15.721 -42.717 -33.539 1.00 25.00 O ATOM 830 CB ALA A 470 -17.140 -40.100 -34.754 1.00 25.00 C ATOM 0 H ALA A 470 -16.490 -40.396 -37.132 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.047 -40.590 -34.754 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.237 -40.123 -33.669 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.959 -39.076 -35.080 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.060 -40.468 -35.209 1.00 25.00 H new ATOM 836 N ALA A 471 -16.786 -43.279 -35.428 1.00 25.00 N ATOM 837 CA ALA A 471 -16.958 -44.669 -35.017 1.00 25.00 C ATOM 838 C ALA A 471 -15.585 -45.354 -34.918 1.00 25.00 C ATOM 839 O ALA A 471 -15.343 -46.149 -34.017 1.00 25.00 O ATOM 840 CB ALA A 471 -17.861 -45.405 -36.013 1.00 25.00 C ATOM 0 H ALA A 471 -17.182 -43.051 -36.340 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.435 -44.699 -34.037 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.983 -46.441 -35.697 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.836 -44.919 -36.048 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.407 -45.379 -37.004 1.00 25.00 H new ATOM 846 N ALA A 472 -14.689 -45.029 -35.839 1.00 25.00 N ATOM 847 CA ALA A 472 -13.328 -45.555 -35.808 1.00 25.00 C ATOM 848 C ALA A 472 -12.523 -44.898 -34.678 1.00 25.00 C ATOM 849 O ALA A 472 -11.677 -45.531 -34.068 1.00 25.00 O ATOM 850 CB ALA A 472 -12.640 -45.331 -37.163 1.00 25.00 C ATOM 0 H ALA A 472 -14.879 -44.401 -36.620 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.374 -46.627 -35.616 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.626 -45.728 -37.126 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.201 -45.842 -37.945 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.604 -44.264 -37.381 1.00 25.00 H new ATOM 856 N GLN A 473 -12.786 -43.628 -34.407 1.00 25.00 N ATOM 857 CA GLN A 473 -12.062 -42.907 -33.361 1.00 25.00 C ATOM 858 C GLN A 473 -12.392 -43.434 -31.975 1.00 25.00 C ATOM 859 O GLN A 473 -11.503 -43.688 -31.171 1.00 25.00 O ATOM 860 CB GLN A 473 -12.395 -41.406 -33.388 1.00 25.00 C ATOM 861 CG GLN A 473 -12.013 -40.671 -34.671 1.00 25.00 C ATOM 862 CD GLN A 473 -10.528 -40.469 -34.830 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.755 -40.711 -33.926 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.128 -40.032 -35.997 1.00 25.00 N ATOM 0 H GLN A 473 -13.492 -43.074 -34.893 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.003 -43.062 -33.566 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.466 -41.286 -33.227 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.891 -40.925 -32.550 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.389 -41.232 -35.527 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.507 -39.700 -34.684 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.810 -39.840 -36.731 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.134 -39.883 -36.173 1.00 25.00 H new ATOM 873 N ARG A 474 -13.673 -43.615 -31.687 1.00 25.00 N ATOM 874 CA ARG A 474 -14.075 -44.142 -30.377 1.00 25.00 C ATOM 875 C ARG A 474 -13.525 -45.550 -30.211 1.00 25.00 C ATOM 876 O ARG A 474 -13.289 -46.009 -29.103 1.00 25.00 O ATOM 877 CB ARG A 474 -15.600 -44.120 -30.204 1.00 25.00 C ATOM 878 CG ARG A 474 -16.376 -45.029 -31.146 1.00 25.00 C ATOM 879 CD ARG A 474 -17.875 -44.875 -30.963 1.00 25.00 C ATOM 880 NE ARG A 474 -18.311 -45.345 -29.637 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.558 -45.306 -29.179 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.549 -44.819 -29.887 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.812 -45.767 -27.986 1.00 25.00 N ATOM 0 H ARG A 474 -14.443 -43.412 -32.324 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.660 -43.501 -29.599 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.837 -44.401 -29.178 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.950 -43.097 -30.343 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.109 -44.798 -32.177 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.092 -46.066 -30.968 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.152 -43.828 -31.087 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.396 -45.437 -31.738 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.597 -45.732 -29.020 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.375 -44.453 -30.823 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.493 -44.806 -29.501 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.058 -46.151 -27.417 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.765 -45.743 -27.622 1.00 25.00 H new ATOM 897 N LEU A 475 -13.313 -46.218 -31.332 1.00 25.00 N ATOM 898 CA LEU A 475 -12.734 -47.548 -31.344 1.00 25.00 C ATOM 899 C LEU A 475 -11.228 -47.488 -31.049 1.00 25.00 C ATOM 900 O LEU A 475 -10.756 -48.197 -30.171 1.00 25.00 O ATOM 901 CB LEU A 475 -13.015 -48.205 -32.708 1.00 25.00 C ATOM 902 CG LEU A 475 -11.945 -49.125 -33.313 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.792 -50.406 -32.481 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.307 -49.485 -34.741 1.00 25.00 C ATOM 0 H LEU A 475 -13.537 -45.853 -32.258 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.190 -48.153 -30.560 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.934 -48.783 -32.614 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.211 -47.408 -33.425 1.00 25.00 H new ATOM 0 HG LEU A 475 -10.996 -48.589 -33.307 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.029 -51.042 -32.929 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.497 -50.146 -31.464 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.742 -50.941 -32.458 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.540 -50.138 -35.157 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.268 -50.000 -34.754 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.374 -48.576 -35.339 1.00 25.00 H new ATOM 916 N VAL A 476 -10.467 -46.669 -31.768 1.00 25.00 N ATOM 917 CA VAL A 476 -9.011 -46.651 -31.583 1.00 25.00 C ATOM 918 C VAL A 476 -8.670 -46.182 -30.176 1.00 25.00 C ATOM 919 O VAL A 476 -7.760 -46.712 -29.531 1.00 25.00 O ATOM 920 CB VAL A 476 -8.270 -45.807 -32.680 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.665 -44.352 -32.654 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.749 -45.945 -32.535 1.00 25.00 C ATOM 0 H VAL A 476 -10.820 -46.020 -32.471 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.649 -47.672 -31.705 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.577 -46.209 -33.646 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.124 -43.814 -33.432 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.737 -44.263 -32.830 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.420 -43.926 -31.681 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.255 -45.352 -33.305 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.444 -45.589 -31.551 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.466 -46.992 -32.646 1.00 25.00 H new ATOM 932 N HIS A 477 -9.418 -45.208 -29.685 1.00 25.00 N ATOM 933 CA HIS A 477 -9.208 -44.691 -28.360 1.00 25.00 C ATOM 934 C HIS A 477 -9.499 -45.771 -27.324 1.00 25.00 C ATOM 935 O HIS A 477 -8.883 -45.792 -26.272 1.00 25.00 O ATOM 936 CB HIS A 477 -10.091 -43.461 -28.140 1.00 25.00 C ATOM 937 CG HIS A 477 -9.528 -42.500 -27.142 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.002 -41.230 -26.923 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.472 -42.630 -26.301 1.00 25.00 C ATOM 940 CE1 HIS A 477 -9.249 -40.663 -25.982 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.301 -41.476 -25.561 1.00 25.00 N ATOM 0 H HIS A 477 -10.180 -44.762 -30.196 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.166 -44.390 -28.248 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.230 -42.947 -29.091 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.077 -43.785 -27.806 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.852 -43.511 -26.221 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -9.397 -39.660 -25.610 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -7.596 -41.293 -24.846 1.00 25.00 H new ATOM 949 N ALA A 478 -10.416 -46.686 -27.617 1.00 25.00 N ATOM 950 CA ALA A 478 -10.731 -47.742 -26.664 1.00 25.00 C ATOM 951 C ALA A 478 -9.503 -48.622 -26.431 1.00 25.00 C ATOM 952 O ALA A 478 -9.190 -48.963 -25.298 1.00 25.00 O ATOM 953 CB ALA A 478 -11.911 -48.582 -27.159 1.00 25.00 C ATOM 0 H ALA A 478 -10.945 -46.719 -28.489 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.016 -47.283 -25.717 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.130 -49.365 -26.433 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.786 -47.944 -27.280 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.658 -49.036 -28.117 1.00 25.00 H new ATOM 959 N ILE A 479 -8.798 -48.984 -27.493 1.00 25.00 N ATOM 960 CA ILE A 479 -7.619 -49.846 -27.352 1.00 25.00 C ATOM 961 C ILE A 479 -6.497 -49.059 -26.699 1.00 25.00 C ATOM 962 O ILE A 479 -5.708 -49.606 -25.941 1.00 25.00 O ATOM 963 CB ILE A 479 -7.111 -50.390 -28.705 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.251 -51.052 -29.485 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.984 -51.428 -28.498 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.433 -50.421 -30.799 1.00 25.00 C ATOM 0 H ILE A 479 -9.012 -48.703 -28.450 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.918 -50.697 -26.740 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.723 -49.543 -29.270 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.038 -52.113 -29.615 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.176 -50.980 -28.913 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.645 -51.795 -29.467 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.150 -50.960 -27.975 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.362 -52.262 -27.906 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.249 -50.913 -31.329 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.670 -49.366 -30.666 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.515 -50.516 -31.379 1.00 25.00 H new ATOM 978 N ALA A 480 -6.437 -47.766 -26.972 1.00 25.00 N ATOM 979 CA ALA A 480 -5.419 -46.911 -26.377 1.00 25.00 C ATOM 980 C ALA A 480 -5.546 -46.971 -24.843 1.00 25.00 C ATOM 981 O ALA A 480 -4.572 -46.801 -24.114 1.00 25.00 O ATOM 982 CB ALA A 480 -5.574 -45.472 -26.900 1.00 25.00 C ATOM 0 H ALA A 480 -7.080 -47.284 -27.601 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.425 -47.259 -26.656 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.810 -44.837 -26.451 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.461 -45.465 -27.984 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.561 -45.093 -26.636 1.00 25.00 H new ATOM 988 N LEU A 481 -6.752 -47.229 -24.358 1.00 25.00 N ATOM 989 CA LEU A 481 -6.972 -47.380 -22.915 1.00 25.00 C ATOM 990 C LEU A 481 -6.590 -48.768 -22.465 1.00 25.00 C ATOM 991 O LEU A 481 -5.951 -48.944 -21.444 1.00 25.00 O ATOM 992 CB LEU A 481 -8.421 -47.109 -22.547 1.00 25.00 C ATOM 993 CG LEU A 481 -8.818 -45.708 -22.984 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.321 -45.652 -23.174 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.356 -44.640 -21.999 1.00 25.00 C ATOM 0 H LEU A 481 -7.589 -47.338 -24.930 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.342 -46.649 -22.408 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.069 -47.844 -23.024 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.557 -47.215 -21.471 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.319 -45.493 -23.929 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.611 -44.649 -23.487 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.618 -46.371 -23.937 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.816 -45.896 -22.234 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.664 -43.658 -22.357 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.803 -44.827 -21.023 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.270 -44.670 -21.912 1.00 25.00 H new ATOM 1007 N MET A 482 -6.974 -49.766 -23.239 1.00 25.00 N ATOM 1008 CA MET A 482 -6.674 -51.153 -22.887 1.00 25.00 C ATOM 1009 C MET A 482 -5.199 -51.413 -22.819 1.00 25.00 C ATOM 1010 O MET A 482 -4.756 -52.326 -22.138 1.00 25.00 O ATOM 1011 CB MET A 482 -7.271 -52.109 -23.910 1.00 25.00 C ATOM 1012 CG MET A 482 -8.727 -51.949 -23.979 1.00 25.00 C ATOM 1013 SD MET A 482 -9.598 -53.397 -24.601 1.00 25.00 S ATOM 1014 CE MET A 482 -9.335 -53.220 -26.366 1.00 25.00 C ATOM 0 H MET A 482 -7.491 -49.650 -24.111 1.00 25.00 H new ATOM 0 HA MET A 482 -7.112 -51.320 -21.903 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.832 -51.921 -24.890 1.00 25.00 H new ATOM 0 HB3 MET A 482 -7.025 -53.137 -23.642 1.00 25.00 H new ATOM 0 HG2 MET A 482 -9.103 -51.712 -22.984 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.958 -51.097 -24.618 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.817 -54.045 -26.890 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.762 -52.276 -26.705 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.266 -53.231 -26.577 1.00 25.00 H new ATOM 1024 N THR A 483 -4.427 -50.620 -23.531 1.00 25.00 N ATOM 1025 CA THR A 483 -2.995 -50.872 -23.575 1.00 25.00 C ATOM 1026 C THR A 483 -2.332 -50.329 -22.318 1.00 25.00 C ATOM 1027 O THR A 483 -1.412 -50.946 -21.780 1.00 25.00 O ATOM 1028 CB THR A 483 -2.390 -50.303 -24.851 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.848 -48.967 -25.038 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.853 -51.130 -26.048 1.00 25.00 C ATOM 0 H THR A 483 -4.749 -49.818 -24.073 1.00 25.00 H new ATOM 0 HA THR A 483 -2.815 -51.947 -23.597 1.00 25.00 H new ATOM 0 HB THR A 483 -1.303 -50.327 -24.769 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.726 -48.980 -25.474 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.420 -50.722 -26.961 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.530 -52.164 -25.923 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.940 -51.095 -26.115 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.812 -49.200 -21.819 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.277 -48.650 -20.576 1.00 25.00 C ATOM 1040 C GLN A 484 -2.874 -49.371 -19.360 1.00 25.00 C ATOM 1041 O GLN A 484 -2.201 -49.523 -18.342 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.482 -47.126 -20.500 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.918 -46.654 -20.629 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.024 -45.152 -20.727 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.938 -44.449 -19.735 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.221 -44.658 -21.920 1.00 25.00 N ATOM 0 H GLN A 484 -3.559 -48.652 -22.245 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.201 -48.824 -20.565 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.085 -46.770 -19.549 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.892 -46.658 -21.287 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.368 -47.106 -21.513 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.490 -47.000 -19.768 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.287 -45.281 -22.725 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.309 -43.650 -22.046 1.00 25.00 H new ATOM 1055 N PHE A 485 -4.115 -49.839 -19.458 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.739 -50.564 -18.365 1.00 25.00 C ATOM 1057 C PHE A 485 -4.230 -52.001 -18.307 1.00 25.00 C ATOM 1058 O PHE A 485 -4.266 -52.634 -17.259 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.256 -50.562 -18.535 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.940 -49.420 -17.826 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.458 -49.603 -16.529 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.063 -48.155 -18.436 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.099 -48.538 -15.847 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.696 -47.082 -17.763 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.216 -47.275 -16.467 1.00 25.00 C ATOM 0 H PHE A 485 -4.704 -49.727 -20.283 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.478 -50.065 -17.432 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.494 -50.514 -19.598 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.657 -51.504 -18.160 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.366 -50.566 -16.048 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.669 -48.002 -19.430 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.497 -48.693 -14.855 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.780 -46.118 -18.242 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.702 -46.460 -15.951 1.00 25.00 H new