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 -160:sc= -0.17 (180deg=-0.675) USER MOD Single : A 433 MET CE :methyl -162:sc= 0 (180deg=-0.276) USER MOD Single : A 434 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 436 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.5) USER MOD Single : A 464 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.3) USER MOD Single : A 467 GLN : amide:sc=-0.00652 X(o=-0.0065,f=-0.34) USER MOD Single : A 473 GLN : amide:sc=-0.00708 K(o=-0.0071,f=-0.91) USER MOD Single : A 477 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.00015) USER MOD Single : A 482 MET CE :methyl 173:sc=-0.00173 (180deg=-0.0992) USER MOD Single : A 483 THR OG1 : rot -5:sc= 0.166 USER MOD Single : A 484 GLN : amide:sc= 0.325 X(o=0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 3.188 -25.014 -42.574 1.00 25.00 N ATOM 114 CA GLU A 419 1.875 -24.867 -43.183 1.00 25.00 C ATOM 115 C GLU A 419 1.093 -23.742 -42.521 1.00 25.00 C ATOM 116 O GLU A 419 0.222 -23.144 -43.123 1.00 25.00 O ATOM 117 CB GLU A 419 1.074 -26.157 -42.992 1.00 25.00 C ATOM 118 CG GLU A 419 1.692 -27.401 -43.614 1.00 25.00 C ATOM 119 CD GLU A 419 1.239 -27.637 -45.033 1.00 25.00 C ATOM 120 OE1 GLU A 419 0.168 -28.251 -45.197 1.00 25.00 O ATOM 121 OE2 GLU A 419 1.947 -27.231 -45.964 1.00 25.00 O ATOM 0 HA GLU A 419 2.021 -24.646 -44.240 1.00 25.00 H new ATOM 0 HB2 GLU A 419 0.944 -26.330 -41.924 1.00 25.00 H new ATOM 0 HB3 GLU A 419 0.080 -26.014 -43.415 1.00 25.00 H new ATOM 0 HG2 GLU A 419 2.778 -27.309 -43.596 1.00 25.00 H new ATOM 0 HG3 GLU A 419 1.436 -28.270 -43.007 1.00 25.00 H new ATOM 128 N VAL A 420 1.401 -23.456 -41.263 1.00 25.00 N ATOM 129 CA VAL A 420 0.670 -22.423 -40.527 1.00 25.00 C ATOM 130 C VAL A 420 0.975 -21.050 -41.131 1.00 25.00 C ATOM 131 O VAL A 420 0.132 -20.169 -41.125 1.00 25.00 O ATOM 132 CB VAL A 420 1.034 -22.441 -39.003 1.00 25.00 C ATOM 133 CG1 VAL A 420 0.192 -21.421 -38.235 1.00 25.00 C ATOM 134 CG2 VAL A 420 0.792 -23.847 -38.415 1.00 25.00 C ATOM 0 H VAL A 420 2.141 -23.916 -40.733 1.00 25.00 H new ATOM 0 HA VAL A 420 -0.397 -22.629 -40.613 1.00 25.00 H new ATOM 0 HB VAL A 420 2.088 -22.180 -38.903 1.00 25.00 H new ATOM 0 HG11 VAL A 420 0.460 -21.449 -37.179 1.00 25.00 H new ATOM 0 HG12 VAL A 420 0.380 -20.423 -38.630 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -0.865 -21.663 -38.348 1.00 25.00 H new ATOM 0 HG21 VAL A 420 1.048 -23.847 -37.356 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -0.258 -24.116 -38.534 1.00 25.00 H new ATOM 0 HG23 VAL A 420 1.414 -24.573 -38.939 1.00 25.00 H new ATOM 144 N SER A 421 2.173 -20.873 -41.677 1.00 25.00 N ATOM 145 CA SER A 421 2.527 -19.601 -42.299 1.00 25.00 C ATOM 146 C SER A 421 1.674 -19.359 -43.537 1.00 25.00 C ATOM 147 O SER A 421 1.237 -18.239 -43.792 1.00 25.00 O ATOM 148 CB SER A 421 3.993 -19.591 -42.705 1.00 25.00 C ATOM 149 OG SER A 421 4.837 -19.720 -41.573 1.00 25.00 O ATOM 0 H SER A 421 2.906 -21.582 -41.702 1.00 25.00 H new ATOM 0 HA SER A 421 2.347 -18.812 -41.569 1.00 25.00 H new ATOM 0 HB2 SER A 421 4.186 -20.407 -43.401 1.00 25.00 H new ATOM 0 HB3 SER A 421 4.222 -18.663 -43.229 1.00 25.00 H new ATOM 0 HG SER A 421 5.774 -19.713 -41.861 1.00 25.00 H new ATOM 155 N ASP A 422 1.429 -20.410 -44.302 1.00 25.00 N ATOM 156 CA ASP A 422 0.609 -20.294 -45.510 1.00 25.00 C ATOM 157 C ASP A 422 -0.847 -20.115 -45.112 1.00 25.00 C ATOM 158 O ASP A 422 -1.592 -19.358 -45.721 1.00 25.00 O ATOM 159 CB ASP A 422 0.762 -21.545 -46.371 1.00 25.00 C ATOM 160 CG ASP A 422 0.034 -21.422 -47.699 1.00 25.00 C ATOM 161 OD1 ASP A 422 0.581 -20.772 -48.612 1.00 25.00 O ATOM 162 OD2 ASP A 422 -1.082 -21.969 -47.826 1.00 25.00 O ATOM 0 H ASP A 422 1.780 -21.349 -44.115 1.00 25.00 H new ATOM 0 HA ASP A 422 0.938 -19.430 -46.088 1.00 25.00 H new ATOM 0 HB2 ASP A 422 1.820 -21.730 -46.555 1.00 25.00 H new ATOM 0 HB3 ASP A 422 0.378 -22.408 -45.827 1.00 25.00 H new ATOM 167 N MET A 423 -1.244 -20.808 -44.052 1.00 25.00 N ATOM 168 CA MET A 423 -2.619 -20.753 -43.576 1.00 25.00 C ATOM 169 C MET A 423 -2.942 -19.336 -43.129 1.00 25.00 C ATOM 170 O MET A 423 -4.035 -18.835 -43.355 1.00 25.00 O ATOM 171 CB MET A 423 -2.809 -21.729 -42.416 1.00 25.00 C ATOM 172 CG MET A 423 -4.254 -22.171 -42.233 1.00 25.00 C ATOM 173 SD MET A 423 -4.479 -23.382 -40.893 1.00 25.00 S ATOM 174 CE MET A 423 -3.366 -24.712 -41.405 1.00 25.00 C ATOM 0 H MET A 423 -0.632 -21.415 -43.506 1.00 25.00 H new ATOM 0 HA MET A 423 -3.294 -21.037 -44.383 1.00 25.00 H new ATOM 0 HB2 MET A 423 -2.186 -22.607 -42.583 1.00 25.00 H new ATOM 0 HB3 MET A 423 -2.460 -21.261 -41.495 1.00 25.00 H new ATOM 0 HG2 MET A 423 -4.870 -21.296 -42.028 1.00 25.00 H new ATOM 0 HG3 MET A 423 -4.614 -22.603 -43.167 1.00 25.00 H new ATOM 0 HE1 MET A 423 -3.650 -25.637 -40.904 1.00 25.00 H new ATOM 0 HE2 MET A 423 -3.434 -24.848 -42.484 1.00 25.00 H new ATOM 0 HE3 MET A 423 -2.342 -24.454 -41.135 1.00 25.00 H new ATOM 184 N ALA A 424 -1.969 -18.688 -42.507 1.00 25.00 N ATOM 185 CA ALA A 424 -2.112 -17.319 -42.041 1.00 25.00 C ATOM 186 C ALA A 424 -2.291 -16.379 -43.235 1.00 25.00 C ATOM 187 O ALA A 424 -2.991 -15.382 -43.138 1.00 25.00 O ATOM 188 CB ALA A 424 -0.880 -16.904 -41.213 1.00 25.00 C ATOM 0 H ALA A 424 -1.056 -19.099 -42.311 1.00 25.00 H new ATOM 0 HA ALA A 424 -2.994 -17.253 -41.404 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -1.001 -15.876 -40.871 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -0.781 -17.564 -40.351 1.00 25.00 H new ATOM 0 HB3 ALA A 424 0.015 -16.978 -41.831 1.00 25.00 H new ATOM 194 N ALA A 425 -1.666 -16.695 -44.362 1.00 25.00 N ATOM 195 CA ALA A 425 -1.798 -15.868 -45.557 1.00 25.00 C ATOM 196 C ALA A 425 -3.218 -16.013 -46.109 1.00 25.00 C ATOM 197 O ALA A 425 -3.820 -15.043 -46.546 1.00 25.00 O ATOM 198 CB ALA A 425 -0.751 -16.277 -46.612 1.00 25.00 C ATOM 0 H ALA A 425 -1.066 -17.512 -44.475 1.00 25.00 H new ATOM 0 HA ALA A 425 -1.620 -14.823 -45.302 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -0.863 -15.651 -47.497 1.00 25.00 H new ATOM 0 HB2 ALA A 425 0.250 -16.148 -46.200 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -0.899 -17.322 -46.886 1.00 25.00 H new ATOM 204 N VAL A 426 -3.749 -17.227 -46.069 1.00 25.00 N ATOM 205 CA VAL A 426 -5.118 -17.486 -46.529 1.00 25.00 C ATOM 206 C VAL A 426 -6.105 -16.764 -45.621 1.00 25.00 C ATOM 207 O VAL A 426 -7.038 -16.105 -46.085 1.00 25.00 O ATOM 208 CB VAL A 426 -5.452 -19.018 -46.547 1.00 25.00 C ATOM 209 CG1 VAL A 426 -6.903 -19.261 -46.986 1.00 25.00 C ATOM 210 CG2 VAL A 426 -4.503 -19.752 -47.490 1.00 25.00 C ATOM 0 H VAL A 426 -3.258 -18.052 -45.724 1.00 25.00 H new ATOM 0 HA VAL A 426 -5.200 -17.115 -47.551 1.00 25.00 H new ATOM 0 HB VAL A 426 -5.327 -19.401 -45.534 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -7.108 -20.332 -46.990 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -7.581 -18.764 -46.292 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -7.052 -18.860 -47.988 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -4.744 -20.815 -47.494 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -4.610 -19.351 -48.498 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -3.476 -19.615 -47.152 1.00 25.00 H new ATOM 220 N GLU A 427 -5.897 -16.876 -44.320 1.00 25.00 N ATOM 221 CA GLU A 427 -6.761 -16.213 -43.344 1.00 25.00 C ATOM 222 C GLU A 427 -6.714 -14.692 -43.555 1.00 25.00 C ATOM 223 O GLU A 427 -7.741 -14.022 -43.514 1.00 25.00 O ATOM 224 CB GLU A 427 -6.317 -16.566 -41.921 1.00 25.00 C ATOM 225 CG GLU A 427 -6.660 -18.011 -41.503 1.00 25.00 C ATOM 226 CD GLU A 427 -6.092 -18.387 -40.139 1.00 25.00 C ATOM 227 OE1 GLU A 427 -6.256 -19.564 -39.732 1.00 25.00 O ATOM 228 OE2 GLU A 427 -5.480 -17.521 -39.469 1.00 25.00 O ATOM 0 H GLU A 427 -5.138 -17.419 -43.910 1.00 25.00 H new ATOM 0 HA GLU A 427 -7.786 -16.557 -43.484 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -5.240 -16.420 -41.840 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -6.786 -15.874 -41.222 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -7.743 -18.131 -41.485 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -6.275 -18.702 -42.254 1.00 25.00 H new ATOM 235 N ALA A 428 -5.525 -14.155 -43.796 1.00 25.00 N ATOM 236 CA ALA A 428 -5.356 -12.726 -44.043 1.00 25.00 C ATOM 237 C ALA A 428 -6.080 -12.324 -45.329 1.00 25.00 C ATOM 238 O ALA A 428 -6.659 -11.246 -45.398 1.00 25.00 O ATOM 239 CB ALA A 428 -3.876 -12.360 -44.130 1.00 25.00 C ATOM 0 H ALA A 428 -4.657 -14.690 -43.826 1.00 25.00 H new ATOM 0 HA ALA A 428 -5.792 -12.179 -43.207 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -3.776 -11.290 -44.314 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -3.383 -12.614 -43.192 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -3.412 -12.914 -44.946 1.00 25.00 H new ATOM 245 N ALA A 429 -6.054 -13.187 -46.339 1.00 25.00 N ATOM 246 CA ALA A 429 -6.721 -12.901 -47.604 1.00 25.00 C ATOM 247 C ALA A 429 -8.238 -12.797 -47.389 1.00 25.00 C ATOM 248 O ALA A 429 -8.889 -11.885 -47.899 1.00 25.00 O ATOM 249 CB ALA A 429 -6.397 -13.977 -48.651 1.00 25.00 C ATOM 0 H ALA A 429 -5.579 -14.089 -46.306 1.00 25.00 H new ATOM 0 HA ALA A 429 -6.353 -11.946 -47.979 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -6.906 -13.741 -49.585 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -5.321 -14.006 -48.822 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -6.734 -14.949 -48.290 1.00 25.00 H new ATOM 255 N GLU A 430 -8.797 -13.723 -46.622 1.00 25.00 N ATOM 256 CA GLU A 430 -10.236 -13.694 -46.353 1.00 25.00 C ATOM 257 C GLU A 430 -10.577 -12.431 -45.571 1.00 25.00 C ATOM 258 O GLU A 430 -11.551 -11.734 -45.866 1.00 25.00 O ATOM 259 CB GLU A 430 -10.676 -14.927 -45.556 1.00 25.00 C ATOM 260 CG GLU A 430 -10.461 -16.233 -46.290 1.00 25.00 C ATOM 261 CD GLU A 430 -11.616 -17.218 -46.104 1.00 25.00 C ATOM 262 OE1 GLU A 430 -12.027 -17.464 -44.943 1.00 25.00 O ATOM 263 OE2 GLU A 430 -12.108 -17.753 -47.125 1.00 25.00 O ATOM 0 H GLU A 430 -8.292 -14.491 -46.181 1.00 25.00 H new ATOM 0 HA GLU A 430 -10.765 -13.699 -47.306 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -10.128 -14.955 -44.614 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -11.733 -14.830 -45.307 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -10.332 -16.029 -47.353 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -9.538 -16.693 -45.939 1.00 25.00 H new ATOM 270 N LEU A 431 -9.763 -12.136 -44.574 1.00 25.00 N ATOM 271 CA LEU A 431 -9.969 -10.960 -43.740 1.00 25.00 C ATOM 272 C LEU A 431 -9.886 -9.680 -44.549 1.00 25.00 C ATOM 273 O LEU A 431 -10.691 -8.765 -44.351 1.00 25.00 O ATOM 274 CB LEU A 431 -8.919 -10.917 -42.626 1.00 25.00 C ATOM 275 CG LEU A 431 -9.138 -11.875 -41.442 1.00 25.00 C ATOM 276 CD1 LEU A 431 -7.873 -11.956 -40.588 1.00 25.00 C ATOM 277 CD2 LEU A 431 -10.321 -11.436 -40.573 1.00 25.00 C ATOM 0 H LEU A 431 -8.949 -12.695 -44.319 1.00 25.00 H new ATOM 0 HA LEU A 431 -10.968 -11.033 -43.311 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -7.945 -11.134 -43.066 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -8.874 -9.899 -42.238 1.00 25.00 H new ATOM 0 HG LEU A 431 -9.365 -12.859 -41.852 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -8.040 -12.637 -39.753 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -7.046 -12.324 -41.196 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -7.629 -10.965 -40.205 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -10.445 -12.136 -39.747 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -10.131 -10.438 -40.177 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -11.229 -11.421 -41.176 1.00 25.00 H new ATOM 289 N GLU A 432 -8.924 -9.577 -45.451 1.00 25.00 N ATOM 290 CA GLU A 432 -8.803 -8.355 -46.216 1.00 25.00 C ATOM 291 C GLU A 432 -9.894 -8.221 -47.273 1.00 25.00 C ATOM 292 O GLU A 432 -10.319 -7.100 -47.559 1.00 25.00 O ATOM 293 CB GLU A 432 -7.396 -8.153 -46.784 1.00 25.00 C ATOM 294 CG GLU A 432 -7.031 -8.924 -48.027 1.00 25.00 C ATOM 295 CD GLU A 432 -5.725 -8.394 -48.616 1.00 25.00 C ATOM 296 OE1 GLU A 432 -4.696 -8.441 -47.908 1.00 25.00 O ATOM 297 OE2 GLU A 432 -5.732 -7.916 -49.769 1.00 25.00 O ATOM 0 H GLU A 432 -8.238 -10.301 -45.665 1.00 25.00 H new ATOM 0 HA GLU A 432 -8.960 -7.536 -45.514 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -7.268 -7.092 -46.997 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -6.678 -8.411 -46.005 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -6.927 -9.983 -47.789 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -7.830 -8.840 -48.763 1.00 25.00 H new ATOM 304 N MET A 433 -10.362 -9.335 -47.834 1.00 25.00 N ATOM 305 CA MET A 433 -11.463 -9.313 -48.813 1.00 25.00 C ATOM 306 C MET A 433 -12.764 -8.928 -48.136 1.00 25.00 C ATOM 307 O MET A 433 -13.593 -8.226 -48.716 1.00 25.00 O ATOM 308 CB MET A 433 -11.647 -10.675 -49.494 1.00 25.00 C ATOM 309 CG MET A 433 -10.693 -10.916 -50.639 1.00 25.00 C ATOM 310 SD MET A 433 -11.063 -12.446 -51.547 1.00 25.00 S ATOM 311 CE MET A 433 -10.456 -13.698 -50.400 1.00 25.00 C ATOM 0 H MET A 433 -10.000 -10.267 -47.632 1.00 25.00 H new ATOM 0 HA MET A 433 -11.201 -8.575 -49.571 1.00 25.00 H new ATOM 0 HB2 MET A 433 -11.516 -11.463 -48.752 1.00 25.00 H new ATOM 0 HB3 MET A 433 -12.670 -10.751 -49.863 1.00 25.00 H new ATOM 0 HG2 MET A 433 -10.735 -10.071 -51.326 1.00 25.00 H new ATOM 0 HG3 MET A 433 -9.674 -10.964 -50.254 1.00 25.00 H new ATOM 0 HE1 MET A 433 -10.317 -14.640 -50.930 1.00 25.00 H new ATOM 0 HE2 MET A 433 -9.504 -13.375 -49.979 1.00 25.00 H new ATOM 0 HE3 MET A 433 -11.180 -13.837 -49.597 1.00 25.00 H new ATOM 321 N THR A 434 -12.939 -9.367 -46.893 1.00 25.00 N ATOM 322 CA THR A 434 -14.142 -9.044 -46.100 1.00 25.00 C ATOM 323 C THR A 434 -14.361 -7.534 -46.042 1.00 25.00 C ATOM 324 O THR A 434 -15.481 -7.053 -45.965 1.00 25.00 O ATOM 325 CB THR A 434 -14.031 -9.619 -44.652 1.00 25.00 C ATOM 326 OG1 THR A 434 -13.887 -11.040 -44.719 1.00 25.00 O ATOM 327 CG2 THR A 434 -15.279 -9.334 -43.832 1.00 25.00 C ATOM 0 H THR A 434 -12.263 -9.952 -46.402 1.00 25.00 H new ATOM 0 HA THR A 434 -14.997 -9.507 -46.593 1.00 25.00 H new ATOM 0 HB THR A 434 -13.171 -9.143 -44.180 1.00 25.00 H new ATOM 0 HG1 THR A 434 -12.977 -11.263 -45.007 1.00 25.00 H new ATOM 0 HG21 THR A 434 -15.160 -9.751 -42.832 1.00 25.00 H new ATOM 0 HG22 THR A 434 -15.429 -8.257 -43.761 1.00 25.00 H new ATOM 0 HG23 THR A 434 -16.143 -9.790 -44.315 1.00 25.00 H new ATOM 335 N ARG A 435 -13.279 -6.778 -46.101 1.00 25.00 N ATOM 336 CA ARG A 435 -13.355 -5.314 -46.039 1.00 25.00 C ATOM 337 C ARG A 435 -14.110 -4.736 -47.222 1.00 25.00 C ATOM 338 O ARG A 435 -14.912 -3.830 -47.066 1.00 25.00 O ATOM 339 CB ARG A 435 -11.961 -4.719 -45.995 1.00 25.00 C ATOM 340 CG ARG A 435 -11.149 -5.250 -44.842 1.00 25.00 C ATOM 341 CD ARG A 435 -9.820 -4.549 -44.739 1.00 25.00 C ATOM 342 NE ARG A 435 -8.943 -4.845 -45.890 1.00 25.00 N ATOM 343 CZ ARG A 435 -7.767 -4.280 -46.124 1.00 25.00 C ATOM 344 NH1 ARG A 435 -7.269 -3.363 -45.334 1.00 25.00 N ATOM 345 NH2 ARG A 435 -7.077 -4.639 -47.169 1.00 25.00 N ATOM 0 H ARG A 435 -12.332 -7.146 -46.192 1.00 25.00 H new ATOM 0 HA ARG A 435 -13.898 -5.056 -45.130 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -11.446 -4.937 -46.930 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -12.034 -3.634 -45.916 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -11.704 -5.120 -43.913 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -10.989 -6.321 -44.970 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -9.983 -3.473 -44.675 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -9.322 -4.851 -43.818 1.00 25.00 H new ATOM 0 HE ARG A 435 -9.269 -5.542 -46.560 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -7.789 -3.063 -44.509 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -6.361 -2.948 -45.543 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -7.442 -5.351 -47.801 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -6.171 -4.208 -47.355 1.00 25.00 H new ATOM 359 N GLN A 436 -13.858 -5.274 -48.401 1.00 25.00 N ATOM 360 CA GLN A 436 -14.559 -4.811 -49.603 1.00 25.00 C ATOM 361 C GLN A 436 -15.983 -5.336 -49.595 1.00 25.00 C ATOM 362 O GLN A 436 -16.915 -4.652 -49.995 1.00 25.00 O ATOM 363 CB GLN A 436 -13.871 -5.275 -50.891 1.00 25.00 C ATOM 364 CG GLN A 436 -12.495 -4.658 -51.117 1.00 25.00 C ATOM 365 CD GLN A 436 -11.383 -5.528 -50.595 1.00 25.00 C ATOM 366 OE1 GLN A 436 -11.240 -6.663 -50.992 1.00 25.00 O ATOM 367 NE2 GLN A 436 -10.599 -5.007 -49.694 1.00 25.00 N ATOM 0 H GLN A 436 -13.184 -6.023 -48.560 1.00 25.00 H new ATOM 0 HA GLN A 436 -14.546 -3.721 -49.585 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -13.772 -6.360 -50.867 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -14.510 -5.032 -51.740 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -12.348 -4.486 -52.183 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -12.451 -3.685 -50.628 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -10.748 -4.047 -49.382 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -9.837 -5.559 -49.301 1.00 25.00 H new ATOM 376 N VAL A 437 -16.131 -6.557 -49.119 1.00 25.00 N ATOM 377 CA VAL A 437 -17.431 -7.220 -49.009 1.00 25.00 C ATOM 378 C VAL A 437 -18.377 -6.411 -48.108 1.00 25.00 C ATOM 379 O VAL A 437 -19.555 -6.269 -48.408 1.00 25.00 O ATOM 380 CB VAL A 437 -17.195 -8.664 -48.463 1.00 25.00 C ATOM 381 CG1 VAL A 437 -18.454 -9.297 -47.932 1.00 25.00 C ATOM 382 CG2 VAL A 437 -16.578 -9.550 -49.570 1.00 25.00 C ATOM 0 H VAL A 437 -15.351 -7.128 -48.793 1.00 25.00 H new ATOM 0 HA VAL A 437 -17.912 -7.282 -49.985 1.00 25.00 H new ATOM 0 HB VAL A 437 -16.503 -8.583 -47.625 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -18.231 -10.299 -47.566 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -18.849 -8.692 -47.116 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -19.195 -9.359 -48.729 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -16.416 -10.556 -49.183 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -17.257 -9.594 -50.421 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -15.626 -9.125 -49.887 1.00 25.00 H new ATOM 392 N LEU A 438 -17.856 -5.869 -47.017 1.00 25.00 N ATOM 393 CA LEU A 438 -18.654 -5.053 -46.098 1.00 25.00 C ATOM 394 C LEU A 438 -19.128 -3.743 -46.723 1.00 25.00 C ATOM 395 O LEU A 438 -20.064 -3.118 -46.237 1.00 25.00 O ATOM 396 CB LEU A 438 -17.827 -4.733 -44.852 1.00 25.00 C ATOM 397 CG LEU A 438 -17.673 -5.860 -43.822 1.00 25.00 C ATOM 398 CD1 LEU A 438 -16.566 -5.505 -42.832 1.00 25.00 C ATOM 399 CD2 LEU A 438 -18.992 -6.106 -43.078 1.00 25.00 C ATOM 0 H LEU A 438 -16.880 -5.977 -46.741 1.00 25.00 H new ATOM 0 HA LEU A 438 -19.539 -5.636 -45.845 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -16.831 -4.427 -45.173 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -18.279 -3.875 -44.354 1.00 25.00 H new ATOM 0 HG LEU A 438 -17.406 -6.777 -44.347 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -16.460 -6.308 -42.102 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -15.626 -5.375 -43.368 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -16.821 -4.578 -42.318 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -18.857 -6.909 -42.354 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -19.292 -5.196 -42.559 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -19.766 -6.388 -43.792 1.00 25.00 H new ATOM 720 N ALA A 462 -18.974 -34.313 -46.385 1.00 25.00 N ATOM 721 CA ALA A 462 -17.826 -34.168 -45.496 1.00 25.00 C ATOM 722 C ALA A 462 -18.231 -34.486 -44.049 1.00 25.00 C ATOM 723 O ALA A 462 -17.532 -35.227 -43.357 1.00 25.00 O ATOM 724 CB ALA A 462 -17.255 -32.751 -45.598 1.00 25.00 C ATOM 0 HA ALA A 462 -17.053 -34.874 -45.800 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.399 -32.655 -44.930 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.939 -32.559 -46.623 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -18.020 -32.029 -45.313 1.00 25.00 H new ATOM 730 N LEU A 463 -19.356 -33.944 -43.595 1.00 25.00 N ATOM 731 CA LEU A 463 -19.812 -34.191 -42.232 1.00 25.00 C ATOM 732 C LEU A 463 -20.155 -35.666 -42.044 1.00 25.00 C ATOM 733 O LEU A 463 -19.882 -36.219 -41.004 1.00 25.00 O ATOM 734 CB LEU A 463 -20.972 -33.252 -41.863 1.00 25.00 C ATOM 735 CG LEU A 463 -22.447 -33.694 -41.969 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.901 -34.509 -40.755 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.322 -32.453 -42.087 1.00 25.00 C ATOM 0 H LEU A 463 -19.964 -33.337 -44.145 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.002 -33.965 -41.538 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.810 -32.943 -40.830 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.865 -32.362 -42.483 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.542 -34.332 -42.848 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.945 -34.795 -40.879 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.287 -35.405 -40.668 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.794 -33.907 -39.852 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.368 -32.751 -42.163 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.186 -31.827 -41.205 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.039 -31.892 -42.978 1.00 25.00 H new ATOM 749 N GLN A 464 -20.729 -36.311 -43.050 1.00 25.00 N ATOM 750 CA GLN A 464 -21.044 -37.742 -42.938 1.00 25.00 C ATOM 751 C GLN A 464 -19.779 -38.566 -42.783 1.00 25.00 C ATOM 752 O GLN A 464 -19.776 -39.591 -42.103 1.00 25.00 O ATOM 753 CB GLN A 464 -21.814 -38.228 -44.160 1.00 25.00 C ATOM 754 CG GLN A 464 -23.246 -37.748 -44.183 1.00 25.00 C ATOM 755 CD GLN A 464 -24.044 -38.227 -42.980 1.00 25.00 C ATOM 756 OE1 GLN A 464 -24.390 -37.448 -42.113 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.322 -39.503 -42.922 1.00 25.00 N ATOM 0 H GLN A 464 -20.985 -35.883 -43.940 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.664 -37.870 -42.051 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.307 -37.886 -45.062 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.801 -39.318 -44.181 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.259 -36.658 -44.213 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -23.728 -38.098 -45.096 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.015 -40.126 -43.669 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.846 -39.875 -42.130 1.00 25.00 H new ATOM 766 N GLY A 465 -18.700 -38.104 -43.396 1.00 25.00 N ATOM 767 CA GLY A 465 -17.414 -38.754 -43.246 1.00 25.00 C ATOM 768 C GLY A 465 -17.000 -38.626 -41.796 1.00 25.00 C ATOM 769 O GLY A 465 -16.589 -39.595 -41.182 1.00 25.00 O ATOM 0 H GLY A 465 -18.692 -37.282 -44.000 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.480 -39.803 -43.534 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.673 -38.291 -43.898 1.00 25.00 H new ATOM 773 N ALA A 466 -17.131 -37.427 -41.251 1.00 25.00 N ATOM 774 CA ALA A 466 -16.795 -37.164 -39.845 1.00 25.00 C ATOM 775 C ALA A 466 -17.568 -38.092 -38.893 1.00 25.00 C ATOM 776 O ALA A 466 -17.025 -38.569 -37.913 1.00 25.00 O ATOM 777 CB ALA A 466 -17.085 -35.700 -39.502 1.00 25.00 C ATOM 0 H ALA A 466 -17.470 -36.610 -41.759 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.732 -37.364 -39.713 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.833 -35.514 -38.458 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.486 -35.051 -40.141 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.143 -35.491 -39.663 1.00 25.00 H new ATOM 783 N GLN A 467 -18.828 -38.355 -39.205 1.00 25.00 N ATOM 784 CA GLN A 467 -19.637 -39.253 -38.382 1.00 25.00 C ATOM 785 C GLN A 467 -19.106 -40.690 -38.452 1.00 25.00 C ATOM 786 O GLN A 467 -19.013 -41.390 -37.438 1.00 25.00 O ATOM 787 CB GLN A 467 -21.071 -39.274 -38.879 1.00 25.00 C ATOM 788 CG GLN A 467 -21.798 -37.927 -38.852 1.00 25.00 C ATOM 789 CD GLN A 467 -21.944 -37.344 -37.467 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.114 -38.056 -36.497 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.884 -36.046 -37.375 1.00 25.00 N ATOM 0 H GLN A 467 -19.313 -37.966 -40.014 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.587 -38.884 -37.357 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.077 -39.650 -39.902 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.636 -39.984 -38.275 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.256 -37.219 -39.479 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.788 -38.050 -39.291 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.740 -35.481 -38.212 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.981 -35.594 -36.466 1.00 25.00 H new ATOM 800 N ALA A 468 -18.765 -41.131 -39.654 1.00 25.00 N ATOM 801 CA ALA A 468 -18.275 -42.497 -39.855 1.00 25.00 C ATOM 802 C ALA A 468 -16.922 -42.692 -39.168 1.00 25.00 C ATOM 803 O ALA A 468 -16.693 -43.699 -38.497 1.00 25.00 O ATOM 804 CB ALA A 468 -18.163 -42.797 -41.363 1.00 25.00 C ATOM 0 H ALA A 468 -18.816 -40.570 -40.504 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.985 -43.193 -39.408 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.798 -43.814 -41.505 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.143 -42.695 -41.828 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.468 -42.094 -41.823 1.00 25.00 H new ATOM 810 N VAL A 469 -16.023 -41.729 -39.319 1.00 25.00 N ATOM 811 CA VAL A 469 -14.710 -41.840 -38.705 1.00 25.00 C ATOM 812 C VAL A 469 -14.815 -41.713 -37.202 1.00 25.00 C ATOM 813 O VAL A 469 -13.994 -42.257 -36.511 1.00 25.00 O ATOM 814 CB VAL A 469 -13.665 -40.825 -39.263 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.554 -40.973 -40.781 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.008 -39.411 -38.898 1.00 25.00 C ATOM 0 H VAL A 469 -16.176 -40.874 -39.854 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.340 -42.831 -38.967 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.702 -41.053 -38.806 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.823 -40.261 -41.163 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.236 -41.987 -41.025 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.524 -40.777 -41.238 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.255 -38.737 -39.306 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.985 -39.156 -39.309 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.034 -39.311 -37.813 1.00 25.00 H new ATOM 826 N ALA A 470 -15.823 -41.017 -36.689 1.00 25.00 N ATOM 827 CA ALA A 470 -15.981 -40.871 -35.240 1.00 25.00 C ATOM 828 C ALA A 470 -16.126 -42.242 -34.579 1.00 25.00 C ATOM 829 O ALA A 470 -15.626 -42.466 -33.469 1.00 25.00 O ATOM 830 CB ALA A 470 -17.199 -39.991 -34.920 1.00 25.00 C ATOM 0 H ALA A 470 -16.538 -40.548 -37.245 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.089 -40.387 -34.842 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.303 -39.892 -33.839 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.062 -39.005 -35.363 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.098 -40.451 -35.330 1.00 25.00 H new ATOM 836 N ALA A 471 -16.795 -43.161 -35.265 1.00 25.00 N ATOM 837 CA ALA A 471 -16.964 -44.519 -34.752 1.00 25.00 C ATOM 838 C ALA A 471 -15.593 -45.202 -34.677 1.00 25.00 C ATOM 839 O ALA A 471 -15.309 -45.951 -33.751 1.00 25.00 O ATOM 840 CB ALA A 471 -17.913 -45.312 -35.657 1.00 25.00 C ATOM 0 H ALA A 471 -17.228 -42.994 -36.173 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.400 -44.481 -33.754 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.031 -46.322 -35.264 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.884 -44.819 -35.687 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.500 -45.360 -36.664 1.00 25.00 H new ATOM 846 N ALA A 472 -14.749 -44.922 -35.660 1.00 25.00 N ATOM 847 CA ALA A 472 -13.398 -45.474 -35.682 1.00 25.00 C ATOM 848 C ALA A 472 -12.513 -44.795 -34.623 1.00 25.00 C ATOM 849 O ALA A 472 -11.628 -45.425 -34.062 1.00 25.00 O ATOM 850 CB ALA A 472 -12.775 -45.302 -37.085 1.00 25.00 C ATOM 0 H ALA A 472 -14.973 -44.318 -36.451 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.459 -46.537 -35.448 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.767 -45.717 -37.089 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.386 -45.825 -37.821 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.732 -44.242 -37.336 1.00 25.00 H new ATOM 856 N GLN A 473 -12.760 -43.524 -34.344 1.00 25.00 N ATOM 857 CA GLN A 473 -11.971 -42.789 -33.359 1.00 25.00 C ATOM 858 C GLN A 473 -12.255 -43.288 -31.956 1.00 25.00 C ATOM 859 O GLN A 473 -11.338 -43.511 -31.175 1.00 25.00 O ATOM 860 CB GLN A 473 -12.288 -41.281 -33.397 1.00 25.00 C ATOM 861 CG GLN A 473 -11.939 -40.573 -34.701 1.00 25.00 C ATOM 862 CD GLN A 473 -10.456 -40.331 -34.896 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.673 -40.352 -33.971 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.082 -40.093 -36.128 1.00 25.00 N ATOM 0 H GLN A 473 -13.500 -42.977 -34.784 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.924 -42.953 -33.613 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.352 -41.146 -33.203 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.751 -40.793 -32.583 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.312 -41.167 -35.535 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.460 -39.616 -34.733 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.773 -40.084 -36.878 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.100 -39.916 -36.338 1.00 25.00 H new ATOM 873 N ARG A 474 -13.523 -43.490 -31.626 1.00 25.00 N ATOM 874 CA ARG A 474 -13.861 -44.023 -30.303 1.00 25.00 C ATOM 875 C ARG A 474 -13.341 -45.453 -30.173 1.00 25.00 C ATOM 876 O ARG A 474 -13.036 -45.910 -29.083 1.00 25.00 O ATOM 877 CB ARG A 474 -15.370 -43.951 -30.024 1.00 25.00 C ATOM 878 CG ARG A 474 -16.235 -44.807 -30.928 1.00 25.00 C ATOM 879 CD ARG A 474 -17.700 -44.686 -30.590 1.00 25.00 C ATOM 880 NE ARG A 474 -18.006 -45.285 -29.279 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.207 -45.318 -28.708 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.276 -44.805 -29.282 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.347 -45.887 -27.538 1.00 25.00 N ATOM 0 H ARG A 474 -14.320 -43.301 -32.234 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.375 -43.401 -29.551 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.547 -44.249 -28.990 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.691 -42.914 -30.116 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.077 -44.513 -31.966 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -15.928 -45.849 -30.842 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -17.987 -43.635 -30.586 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.294 -45.176 -31.362 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.233 -45.710 -28.767 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.200 -44.362 -30.198 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.179 -44.851 -28.811 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.539 -46.300 -27.072 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.264 -45.917 -27.092 1.00 25.00 H new ATOM 897 N LEU A 475 -13.228 -46.137 -31.300 1.00 25.00 N ATOM 898 CA LEU A 475 -12.684 -47.493 -31.343 1.00 25.00 C ATOM 899 C LEU A 475 -11.174 -47.473 -31.081 1.00 25.00 C ATOM 900 O LEU A 475 -10.693 -48.221 -30.235 1.00 25.00 O ATOM 901 CB LEU A 475 -12.986 -48.122 -32.720 1.00 25.00 C ATOM 902 CG LEU A 475 -11.937 -49.049 -33.367 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.794 -50.360 -32.595 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.341 -49.340 -34.787 1.00 25.00 C ATOM 0 H LEU A 475 -13.509 -45.773 -32.211 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.154 -48.094 -30.564 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.912 -48.689 -32.626 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.180 -47.308 -33.418 1.00 25.00 H new ATOM 0 HG LEU A 475 -10.973 -48.541 -33.346 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.047 -50.988 -33.080 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.482 -50.148 -31.572 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.752 -50.881 -32.581 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.602 -49.995 -35.249 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.315 -49.829 -34.795 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.399 -48.407 -35.347 1.00 25.00 H new ATOM 916 N VAL A 476 -10.419 -46.639 -31.786 1.00 25.00 N ATOM 917 CA VAL A 476 -8.967 -46.619 -31.582 1.00 25.00 C ATOM 918 C VAL A 476 -8.652 -46.167 -30.162 1.00 25.00 C ATOM 919 O VAL A 476 -7.745 -46.683 -29.514 1.00 25.00 O ATOM 920 CB VAL A 476 -8.211 -45.779 -32.671 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.567 -44.313 -32.618 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.703 -45.953 -32.536 1.00 25.00 C ATOM 0 H VAL A 476 -10.770 -45.984 -32.485 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.592 -47.635 -31.705 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.533 -46.160 -33.640 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.017 -43.777 -33.392 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.638 -44.192 -32.784 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.304 -43.910 -31.640 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.199 -45.362 -33.301 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.385 -45.617 -31.549 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.445 -47.005 -32.662 1.00 25.00 H new ATOM 932 N HIS A 477 -9.441 -45.236 -29.664 1.00 25.00 N ATOM 933 CA HIS A 477 -9.286 -44.766 -28.309 1.00 25.00 C ATOM 934 C HIS A 477 -9.559 -45.890 -27.314 1.00 25.00 C ATOM 935 O HIS A 477 -8.911 -45.972 -26.291 1.00 25.00 O ATOM 936 CB HIS A 477 -10.228 -43.594 -28.069 1.00 25.00 C ATOM 937 CG HIS A 477 -9.884 -42.794 -26.854 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.725 -41.894 -26.248 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.747 -42.773 -26.105 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.089 -41.374 -25.200 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.873 -41.869 -25.069 1.00 25.00 N ATOM 0 H HIS A 477 -10.198 -44.791 -30.183 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.258 -44.434 -28.162 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.212 -42.941 -28.941 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.246 -43.970 -27.971 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.872 -43.377 -26.294 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.517 -40.636 -24.537 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.179 -41.635 -24.359 1.00 25.00 H new ATOM 949 N ALA A 478 -10.500 -46.773 -27.621 1.00 25.00 N ATOM 950 CA ALA A 478 -10.808 -47.881 -26.723 1.00 25.00 C ATOM 951 C ALA A 478 -9.574 -48.760 -26.510 1.00 25.00 C ATOM 952 O ALA A 478 -9.282 -49.182 -25.398 1.00 25.00 O ATOM 953 CB ALA A 478 -11.970 -48.712 -27.280 1.00 25.00 C ATOM 0 H ALA A 478 -11.058 -46.746 -28.474 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.107 -47.471 -25.758 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.188 -49.535 -26.599 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.853 -48.081 -27.381 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.696 -49.112 -28.256 1.00 25.00 H new ATOM 959 N ILE A 479 -8.843 -49.036 -27.579 1.00 25.00 N ATOM 960 CA ILE A 479 -7.648 -49.880 -27.475 1.00 25.00 C ATOM 961 C ILE A 479 -6.554 -49.108 -26.771 1.00 25.00 C ATOM 962 O ILE A 479 -5.788 -49.671 -26.007 1.00 25.00 O ATOM 963 CB ILE A 479 -7.134 -50.313 -28.856 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.234 -51.035 -29.642 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.925 -51.265 -28.746 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.357 -50.487 -31.000 1.00 25.00 C ATOM 0 H ILE A 479 -9.047 -48.697 -28.519 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.918 -50.774 -26.914 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.831 -49.403 -29.373 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.009 -52.100 -29.695 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.185 -50.936 -29.118 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.592 -51.547 -29.745 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.113 -50.762 -28.221 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.215 -52.159 -28.194 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.144 -51.017 -31.536 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.606 -49.427 -30.944 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.412 -50.610 -31.529 1.00 25.00 H new ATOM 978 N ALA A 480 -6.502 -47.808 -27.010 1.00 25.00 N ATOM 979 CA ALA A 480 -5.516 -46.954 -26.367 1.00 25.00 C ATOM 980 C ALA A 480 -5.680 -47.022 -24.837 1.00 25.00 C ATOM 981 O ALA A 480 -4.739 -46.800 -24.078 1.00 25.00 O ATOM 982 CB ALA A 480 -5.645 -45.509 -26.874 1.00 25.00 C ATOM 0 H ALA A 480 -7.132 -47.320 -27.646 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.517 -47.309 -26.621 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.900 -44.883 -26.383 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.485 -45.486 -27.952 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.642 -45.132 -26.647 1.00 25.00 H new ATOM 988 N LEU A 481 -6.881 -47.340 -24.382 1.00 25.00 N ATOM 989 CA LEU A 481 -7.110 -47.509 -22.941 1.00 25.00 C ATOM 990 C LEU A 481 -6.591 -48.852 -22.503 1.00 25.00 C ATOM 991 O LEU A 481 -5.982 -48.968 -21.464 1.00 25.00 O ATOM 992 CB LEU A 481 -8.586 -47.406 -22.589 1.00 25.00 C ATOM 993 CG LEU A 481 -9.126 -46.047 -22.987 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.626 -46.154 -23.175 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.780 -44.963 -21.964 1.00 25.00 C ATOM 0 H LEU A 481 -7.702 -47.486 -24.969 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.580 -46.709 -22.424 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.144 -48.191 -23.099 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.724 -47.561 -21.519 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.654 -45.747 -23.923 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -11.027 -45.182 -23.462 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.844 -46.881 -23.957 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -11.088 -46.476 -22.242 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -9.189 -44.008 -22.294 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -9.208 -45.226 -20.997 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.697 -44.882 -21.872 1.00 25.00 H new ATOM 1007 N MET A 482 -6.824 -49.870 -23.308 1.00 25.00 N ATOM 1008 CA MET A 482 -6.360 -51.207 -22.960 1.00 25.00 C ATOM 1009 C MET A 482 -4.853 -51.260 -22.901 1.00 25.00 C ATOM 1010 O MET A 482 -4.281 -52.027 -22.136 1.00 25.00 O ATOM 1011 CB MET A 482 -6.866 -52.215 -23.991 1.00 25.00 C ATOM 1012 CG MET A 482 -8.346 -52.189 -24.090 1.00 25.00 C ATOM 1013 SD MET A 482 -9.052 -53.695 -24.773 1.00 25.00 S ATOM 1014 CE MET A 482 -8.730 -53.488 -26.519 1.00 25.00 C ATOM 0 H MET A 482 -7.323 -49.804 -24.195 1.00 25.00 H new ATOM 0 HA MET A 482 -6.753 -51.458 -21.975 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.430 -51.992 -24.965 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.535 -53.217 -23.716 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.765 -52.020 -23.098 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.645 -51.344 -24.711 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.001 -54.401 -27.050 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.321 -52.656 -26.902 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.671 -53.281 -26.672 1.00 25.00 H new ATOM 1024 N THR A 483 -4.199 -50.432 -23.698 1.00 25.00 N ATOM 1025 CA THR A 483 -2.741 -50.458 -23.743 1.00 25.00 C ATOM 1026 C THR A 483 -2.160 -49.788 -22.507 1.00 25.00 C ATOM 1027 O THR A 483 -1.156 -50.237 -21.961 1.00 25.00 O ATOM 1028 CB THR A 483 -2.202 -49.814 -25.025 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.723 -48.490 -25.153 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.618 -50.632 -26.245 1.00 25.00 C ATOM 0 H THR A 483 -4.639 -49.746 -24.311 1.00 25.00 H new ATOM 0 HA THR A 483 -2.425 -51.501 -23.751 1.00 25.00 H new ATOM 0 HB THR A 483 -1.114 -49.782 -24.968 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.368 -48.321 -24.434 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.228 -50.162 -27.148 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.218 -51.642 -26.159 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.706 -50.676 -26.300 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.799 -48.726 -22.037 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.339 -48.074 -20.816 1.00 25.00 C ATOM 1040 C GLN A 484 -2.807 -48.828 -19.571 1.00 25.00 C ATOM 1041 O GLN A 484 -2.145 -48.767 -18.535 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.761 -46.597 -20.777 1.00 25.00 C ATOM 1043 CG GLN A 484 -4.244 -46.351 -20.664 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.599 -44.898 -20.830 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.687 -44.164 -19.864 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.811 -44.479 -22.048 1.00 25.00 N ATOM 0 H GLN A 484 -3.620 -48.304 -22.470 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.249 -48.100 -20.819 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.265 -46.117 -19.933 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.397 -46.109 -21.681 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.766 -46.938 -21.420 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.594 -46.699 -19.692 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.727 -45.126 -22.832 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -5.060 -43.504 -22.216 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.916 -49.557 -19.649 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.372 -50.361 -18.517 1.00 25.00 C ATOM 1057 C PHE A 485 -3.430 -51.536 -18.273 1.00 25.00 C ATOM 1058 O PHE A 485 -3.272 -51.991 -17.147 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.785 -50.895 -18.761 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.858 -50.145 -18.011 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.366 -48.917 -18.503 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.374 -50.659 -16.807 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.365 -48.216 -17.799 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.379 -49.956 -16.090 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.873 -48.735 -16.587 1.00 25.00 C ATOM 0 H PHE A 485 -4.512 -49.609 -20.475 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.379 -49.715 -17.639 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.001 -50.849 -19.828 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.821 -51.946 -18.473 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.983 -48.514 -19.429 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.002 -51.598 -16.424 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.743 -47.281 -18.186 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.764 -50.358 -15.164 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.637 -48.198 -16.044 1.00 25.00 H new