USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=4 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 -141:sc= -0.343 (180deg=-0.792) USER MOD Single : A 433 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 434 THR OG1 : rot 64:sc= 1.01 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 464 GLN : amide:sc=-0.00763 X(o=-0.0076,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 477 HIS : no HD1:sc= -0.0525 X(o=-0.052,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot -81:sc= 0.438 USER MOD Single : A 484 GLN : amide:sc= 0.337 X(o=0.34,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -29.608 -22.579 -46.299 1.00 25.00 N ATOM 114 CA GLU A 419 -30.019 -21.431 -45.491 1.00 25.00 C ATOM 115 C GLU A 419 -30.849 -21.894 -44.310 1.00 25.00 C ATOM 116 O GLU A 419 -30.695 -21.398 -43.222 1.00 25.00 O ATOM 117 CB GLU A 419 -30.853 -20.425 -46.298 1.00 25.00 C ATOM 118 CG GLU A 419 -30.451 -20.264 -47.751 1.00 25.00 C ATOM 119 CD GLU A 419 -28.986 -19.925 -47.945 1.00 25.00 C ATOM 120 OE1 GLU A 419 -28.521 -18.897 -47.425 1.00 25.00 O ATOM 121 OE2 GLU A 419 -28.304 -20.711 -48.649 1.00 25.00 O ATOM 0 HA GLU A 419 -29.106 -20.940 -45.154 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -31.898 -20.732 -46.260 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -30.789 -19.452 -45.811 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -30.675 -21.188 -48.285 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -31.059 -19.480 -48.202 1.00 25.00 H new ATOM 128 N VAL A 420 -31.727 -22.863 -44.533 1.00 25.00 N ATOM 129 CA VAL A 420 -32.598 -23.374 -43.468 1.00 25.00 C ATOM 130 C VAL A 420 -31.783 -24.177 -42.459 1.00 25.00 C ATOM 131 O VAL A 420 -32.076 -24.175 -41.263 1.00 25.00 O ATOM 132 CB VAL A 420 -33.756 -24.221 -44.065 1.00 25.00 C ATOM 133 CG1 VAL A 420 -34.653 -24.811 -42.963 1.00 25.00 C ATOM 134 CG2 VAL A 420 -34.609 -23.334 -44.982 1.00 25.00 C ATOM 0 H VAL A 420 -31.859 -23.314 -45.438 1.00 25.00 H new ATOM 0 HA VAL A 420 -33.045 -22.529 -42.944 1.00 25.00 H new ATOM 0 HB VAL A 420 -33.317 -25.046 -44.626 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -35.451 -25.397 -43.419 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -34.057 -25.453 -42.314 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -35.087 -24.002 -42.375 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -35.423 -23.923 -45.404 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -35.021 -22.506 -44.406 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -33.989 -22.942 -45.788 1.00 25.00 H new ATOM 144 N SER A 421 -30.743 -24.846 -42.928 1.00 25.00 N ATOM 145 CA SER A 421 -29.882 -25.609 -42.032 1.00 25.00 C ATOM 146 C SER A 421 -29.150 -24.653 -41.098 1.00 25.00 C ATOM 147 O SER A 421 -29.001 -24.920 -39.907 1.00 25.00 O ATOM 148 CB SER A 421 -28.865 -26.418 -42.830 1.00 25.00 C ATOM 149 OG SER A 421 -29.517 -27.309 -43.725 1.00 25.00 O ATOM 0 H SER A 421 -30.474 -24.878 -43.911 1.00 25.00 H new ATOM 0 HA SER A 421 -30.498 -26.295 -41.451 1.00 25.00 H new ATOM 0 HB2 SER A 421 -28.216 -25.744 -43.389 1.00 25.00 H new ATOM 0 HB3 SER A 421 -28.228 -26.982 -42.149 1.00 25.00 H new ATOM 0 HG SER A 421 -28.846 -27.817 -44.228 1.00 25.00 H new ATOM 155 N ASP A 422 -28.706 -23.534 -41.649 1.00 25.00 N ATOM 156 CA ASP A 422 -27.991 -22.528 -40.869 1.00 25.00 C ATOM 157 C ASP A 422 -28.984 -21.767 -39.984 1.00 25.00 C ATOM 158 O ASP A 422 -28.650 -21.338 -38.890 1.00 25.00 O ATOM 159 CB ASP A 422 -27.245 -21.560 -41.803 1.00 25.00 C ATOM 160 CG ASP A 422 -26.101 -22.240 -42.580 1.00 25.00 C ATOM 161 OD1 ASP A 422 -25.584 -21.615 -43.537 1.00 25.00 O ATOM 162 OD2 ASP A 422 -25.711 -23.383 -42.236 1.00 25.00 O ATOM 0 H ASP A 422 -28.827 -23.297 -42.634 1.00 25.00 H new ATOM 0 HA ASP A 422 -27.255 -23.020 -40.233 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -27.952 -21.129 -42.511 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -26.839 -20.736 -41.216 1.00 25.00 H new ATOM 167 N MET A 423 -30.215 -21.621 -40.454 1.00 25.00 N ATOM 168 CA MET A 423 -31.279 -20.930 -39.709 1.00 25.00 C ATOM 169 C MET A 423 -31.571 -21.641 -38.397 1.00 25.00 C ATOM 170 O MET A 423 -31.850 -21.014 -37.381 1.00 25.00 O ATOM 171 CB MET A 423 -32.560 -20.910 -40.549 1.00 25.00 C ATOM 172 CG MET A 423 -33.434 -19.695 -40.361 1.00 25.00 C ATOM 173 SD MET A 423 -34.919 -19.795 -41.423 1.00 25.00 S ATOM 174 CE MET A 423 -34.217 -19.683 -43.124 1.00 25.00 C ATOM 0 H MET A 423 -30.513 -21.976 -41.363 1.00 25.00 H new ATOM 0 HA MET A 423 -30.944 -19.914 -39.498 1.00 25.00 H new ATOM 0 HB2 MET A 423 -32.286 -20.981 -41.602 1.00 25.00 H new ATOM 0 HB3 MET A 423 -33.145 -21.799 -40.311 1.00 25.00 H new ATOM 0 HG2 MET A 423 -33.733 -19.615 -39.316 1.00 25.00 H new ATOM 0 HG3 MET A 423 -32.869 -18.794 -40.601 1.00 25.00 H new ATOM 0 HE1 MET A 423 -34.870 -19.073 -43.748 1.00 25.00 H new ATOM 0 HE2 MET A 423 -33.228 -19.227 -43.080 1.00 25.00 H new ATOM 0 HE3 MET A 423 -34.137 -20.683 -43.551 1.00 25.00 H new ATOM 184 N ALA A 424 -31.489 -22.962 -38.424 1.00 25.00 N ATOM 185 CA ALA A 424 -31.731 -23.764 -37.232 1.00 25.00 C ATOM 186 C ALA A 424 -30.650 -23.473 -36.188 1.00 25.00 C ATOM 187 O ALA A 424 -30.909 -23.496 -34.985 1.00 25.00 O ATOM 188 CB ALA A 424 -31.740 -25.252 -37.600 1.00 25.00 C ATOM 0 H ALA A 424 -31.257 -23.503 -39.257 1.00 25.00 H new ATOM 0 HA ALA A 424 -32.702 -23.506 -36.810 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -31.921 -25.847 -36.705 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -32.529 -25.442 -38.328 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -30.776 -25.527 -38.029 1.00 25.00 H new ATOM 194 N ALA A 425 -29.442 -23.187 -36.653 1.00 25.00 N ATOM 195 CA ALA A 425 -28.342 -22.865 -35.757 1.00 25.00 C ATOM 196 C ALA A 425 -28.562 -21.476 -35.153 1.00 25.00 C ATOM 197 O ALA A 425 -28.259 -21.262 -33.989 1.00 25.00 O ATOM 198 CB ALA A 425 -27.000 -22.928 -36.505 1.00 25.00 C ATOM 0 H ALA A 425 -29.200 -23.172 -37.644 1.00 25.00 H new ATOM 0 HA ALA A 425 -28.311 -23.599 -34.952 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -26.189 -22.684 -35.819 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -26.851 -23.933 -36.901 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -27.007 -22.212 -37.327 1.00 25.00 H new ATOM 204 N VAL A 426 -29.097 -20.546 -35.937 1.00 25.00 N ATOM 205 CA VAL A 426 -29.376 -19.194 -35.447 1.00 25.00 C ATOM 206 C VAL A 426 -30.422 -19.263 -34.342 1.00 25.00 C ATOM 207 O VAL A 426 -30.241 -18.669 -33.282 1.00 25.00 O ATOM 208 CB VAL A 426 -29.900 -18.262 -36.587 1.00 25.00 C ATOM 209 CG1 VAL A 426 -30.267 -16.881 -36.045 1.00 25.00 C ATOM 210 CG2 VAL A 426 -28.842 -18.117 -37.682 1.00 25.00 C ATOM 0 H VAL A 426 -29.347 -20.700 -36.914 1.00 25.00 H new ATOM 0 HA VAL A 426 -28.443 -18.777 -35.067 1.00 25.00 H new ATOM 0 HB VAL A 426 -30.796 -18.720 -37.006 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -30.628 -16.254 -36.860 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -31.048 -16.982 -35.291 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -29.387 -16.421 -35.596 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -29.220 -17.465 -38.470 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -27.936 -17.685 -37.257 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -28.615 -19.097 -38.100 1.00 25.00 H new ATOM 220 N GLU A 427 -31.500 -19.997 -34.581 1.00 25.00 N ATOM 221 CA GLU A 427 -32.558 -20.131 -33.579 1.00 25.00 C ATOM 222 C GLU A 427 -32.015 -20.765 -32.304 1.00 25.00 C ATOM 223 O GLU A 427 -32.273 -20.287 -31.205 1.00 25.00 O ATOM 224 CB GLU A 427 -33.717 -20.981 -34.108 1.00 25.00 C ATOM 225 CG GLU A 427 -34.836 -20.158 -34.755 1.00 25.00 C ATOM 226 CD GLU A 427 -36.231 -20.674 -34.388 1.00 25.00 C ATOM 227 OE1 GLU A 427 -37.034 -20.947 -35.312 1.00 25.00 O ATOM 228 OE2 GLU A 427 -36.523 -20.817 -33.177 1.00 25.00 O ATOM 0 H GLU A 427 -31.668 -20.505 -35.449 1.00 25.00 H new ATOM 0 HA GLU A 427 -32.926 -19.129 -33.358 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -33.331 -21.692 -34.839 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -34.134 -21.563 -33.286 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -34.744 -19.117 -34.444 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -34.718 -20.179 -35.838 1.00 25.00 H new ATOM 235 N ALA A 428 -31.246 -21.835 -32.441 1.00 25.00 N ATOM 236 CA ALA A 428 -30.685 -22.502 -31.270 1.00 25.00 C ATOM 237 C ALA A 428 -29.769 -21.543 -30.500 1.00 25.00 C ATOM 238 O ALA A 428 -29.768 -21.526 -29.262 1.00 25.00 O ATOM 239 CB ALA A 428 -29.912 -23.755 -31.701 1.00 25.00 C ATOM 0 H ALA A 428 -30.997 -22.257 -33.336 1.00 25.00 H new ATOM 0 HA ALA A 428 -31.499 -22.803 -30.610 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -29.497 -24.247 -30.821 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -30.587 -24.440 -32.215 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -29.103 -23.470 -32.373 1.00 25.00 H new ATOM 245 N ALA A 429 -29.000 -20.755 -31.237 1.00 25.00 N ATOM 246 CA ALA A 429 -28.067 -19.816 -30.640 1.00 25.00 C ATOM 247 C ALA A 429 -28.789 -18.706 -29.885 1.00 25.00 C ATOM 248 O ALA A 429 -28.426 -18.401 -28.763 1.00 25.00 O ATOM 249 CB ALA A 429 -27.158 -19.214 -31.720 1.00 25.00 C ATOM 0 H ALA A 429 -29.006 -20.749 -32.257 1.00 25.00 H new ATOM 0 HA ALA A 429 -27.459 -20.366 -29.921 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -26.463 -18.512 -31.260 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -26.598 -20.011 -32.210 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -27.767 -18.692 -32.458 1.00 25.00 H new ATOM 255 N GLU A 430 -29.800 -18.087 -30.481 1.00 25.00 N ATOM 256 CA GLU A 430 -30.483 -16.986 -29.801 1.00 25.00 C ATOM 257 C GLU A 430 -31.296 -17.496 -28.611 1.00 25.00 C ATOM 258 O GLU A 430 -31.430 -16.799 -27.597 1.00 25.00 O ATOM 259 CB GLU A 430 -31.340 -16.148 -30.762 1.00 25.00 C ATOM 260 CG GLU A 430 -32.556 -16.834 -31.346 1.00 25.00 C ATOM 261 CD GLU A 430 -33.326 -15.906 -32.270 1.00 25.00 C ATOM 262 OE1 GLU A 430 -34.093 -15.057 -31.757 1.00 25.00 O ATOM 263 OE2 GLU A 430 -33.160 -16.011 -33.504 1.00 25.00 O ATOM 0 H GLU A 430 -30.160 -18.317 -31.407 1.00 25.00 H new ATOM 0 HA GLU A 430 -29.713 -16.318 -29.415 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -31.672 -15.254 -30.234 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -30.707 -15.816 -31.584 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -32.245 -17.722 -31.896 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -33.208 -17.170 -30.540 1.00 25.00 H new ATOM 270 N LEU A 431 -31.817 -18.714 -28.703 1.00 25.00 N ATOM 271 CA LEU A 431 -32.561 -19.296 -27.592 1.00 25.00 C ATOM 272 C LEU A 431 -31.637 -19.467 -26.392 1.00 25.00 C ATOM 273 O LEU A 431 -32.021 -19.161 -25.259 1.00 25.00 O ATOM 274 CB LEU A 431 -33.170 -20.647 -27.986 1.00 25.00 C ATOM 275 CG LEU A 431 -34.449 -20.567 -28.841 1.00 25.00 C ATOM 276 CD1 LEU A 431 -34.766 -21.942 -29.428 1.00 25.00 C ATOM 277 CD2 LEU A 431 -35.646 -20.073 -28.017 1.00 25.00 C ATOM 0 H LEU A 431 -31.740 -19.312 -29.526 1.00 25.00 H new ATOM 0 HA LEU A 431 -33.377 -18.622 -27.330 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -32.421 -21.219 -28.534 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -33.394 -21.205 -27.077 1.00 25.00 H new ATOM 0 HG LEU A 431 -34.271 -19.852 -29.644 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -35.671 -21.880 -30.032 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -33.935 -22.271 -30.052 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -34.918 -22.657 -28.619 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -36.531 -20.029 -28.652 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -35.827 -20.760 -27.190 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -35.432 -19.079 -27.624 1.00 25.00 H new ATOM 289 N GLU A 432 -30.417 -19.940 -26.608 1.00 25.00 N ATOM 290 CA GLU A 432 -29.482 -20.031 -25.490 1.00 25.00 C ATOM 291 C GLU A 432 -28.917 -18.672 -25.093 1.00 25.00 C ATOM 292 O GLU A 432 -28.671 -18.436 -23.915 1.00 25.00 O ATOM 293 CB GLU A 432 -28.412 -21.106 -25.685 1.00 25.00 C ATOM 294 CG GLU A 432 -27.324 -20.870 -26.698 1.00 25.00 C ATOM 295 CD GLU A 432 -26.369 -22.065 -26.740 1.00 25.00 C ATOM 296 OE1 GLU A 432 -26.638 -23.069 -26.023 1.00 25.00 O ATOM 297 OE2 GLU A 432 -25.357 -22.009 -27.466 1.00 25.00 O ATOM 0 H GLU A 432 -30.059 -20.256 -27.509 1.00 25.00 H new ATOM 0 HA GLU A 432 -30.064 -20.371 -24.633 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -27.934 -21.275 -24.720 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -28.920 -22.032 -25.955 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -27.763 -20.712 -27.683 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -26.773 -19.964 -26.445 1.00 25.00 H new ATOM 304 N MET A 433 -28.745 -17.765 -26.045 1.00 25.00 N ATOM 305 CA MET A 433 -28.269 -16.415 -25.732 1.00 25.00 C ATOM 306 C MET A 433 -29.240 -15.745 -24.778 1.00 25.00 C ATOM 307 O MET A 433 -28.832 -14.974 -23.922 1.00 25.00 O ATOM 308 CB MET A 433 -28.141 -15.554 -26.990 1.00 25.00 C ATOM 309 CG MET A 433 -26.757 -14.967 -27.183 1.00 25.00 C ATOM 310 SD MET A 433 -25.590 -16.200 -27.797 1.00 25.00 S ATOM 311 CE MET A 433 -25.837 -16.073 -29.581 1.00 25.00 C ATOM 0 H MET A 433 -28.925 -17.933 -27.035 1.00 25.00 H new ATOM 0 HA MET A 433 -27.283 -16.508 -25.276 1.00 25.00 H new ATOM 0 HB2 MET A 433 -28.396 -16.158 -27.861 1.00 25.00 H new ATOM 0 HB3 MET A 433 -28.867 -14.743 -26.941 1.00 25.00 H new ATOM 0 HG2 MET A 433 -26.809 -14.134 -27.884 1.00 25.00 H new ATOM 0 HG3 MET A 433 -26.397 -14.564 -26.236 1.00 25.00 H new ATOM 0 HE1 MET A 433 -25.180 -16.778 -30.090 1.00 25.00 H new ATOM 0 HE2 MET A 433 -26.875 -16.304 -29.822 1.00 25.00 H new ATOM 0 HE3 MET A 433 -25.605 -15.060 -29.909 1.00 25.00 H new ATOM 321 N THR A 434 -30.525 -16.049 -24.912 1.00 25.00 N ATOM 322 CA THR A 434 -31.546 -15.493 -24.022 1.00 25.00 C ATOM 323 C THR A 434 -31.246 -15.853 -22.560 1.00 25.00 C ATOM 324 O THR A 434 -31.502 -15.071 -21.649 1.00 25.00 O ATOM 325 CB THR A 434 -32.962 -15.991 -24.397 1.00 25.00 C ATOM 326 OG1 THR A 434 -33.227 -15.682 -25.768 1.00 25.00 O ATOM 327 CG2 THR A 434 -34.028 -15.293 -23.561 1.00 25.00 C ATOM 0 H THR A 434 -30.889 -16.678 -25.628 1.00 25.00 H new ATOM 0 HA THR A 434 -31.520 -14.410 -24.140 1.00 25.00 H new ATOM 0 HB THR A 434 -32.995 -17.065 -24.216 1.00 25.00 H new ATOM 0 HG1 THR A 434 -32.602 -16.173 -26.341 1.00 25.00 H new ATOM 0 HG21 THR A 434 -35.013 -15.662 -23.846 1.00 25.00 H new ATOM 0 HG22 THR A 434 -33.855 -15.499 -22.505 1.00 25.00 H new ATOM 0 HG23 THR A 434 -33.980 -14.218 -23.734 1.00 25.00 H new ATOM 335 N ARG A 435 -30.680 -17.028 -22.327 1.00 25.00 N ATOM 336 CA ARG A 435 -30.334 -17.436 -20.964 1.00 25.00 C ATOM 337 C ARG A 435 -29.178 -16.571 -20.491 1.00 25.00 C ATOM 338 O ARG A 435 -29.199 -16.016 -19.401 1.00 25.00 O ATOM 339 CB ARG A 435 -29.902 -18.908 -20.924 1.00 25.00 C ATOM 340 CG ARG A 435 -30.853 -19.866 -21.628 1.00 25.00 C ATOM 341 CD ARG A 435 -30.207 -21.236 -21.779 1.00 25.00 C ATOM 342 NE ARG A 435 -30.859 -22.013 -22.848 1.00 25.00 N ATOM 343 CZ ARG A 435 -30.284 -22.992 -23.544 1.00 25.00 C ATOM 344 NH1 ARG A 435 -29.051 -23.378 -23.326 1.00 25.00 N ATOM 345 NH2 ARG A 435 -30.959 -23.573 -24.496 1.00 25.00 N ATOM 0 H ARG A 435 -30.451 -17.711 -23.049 1.00 25.00 H new ATOM 0 HA ARG A 435 -31.206 -17.316 -20.322 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -28.915 -18.996 -21.379 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -29.802 -19.216 -19.883 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -31.779 -19.954 -21.059 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -31.118 -19.471 -22.609 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -29.147 -21.119 -22.004 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -30.275 -21.780 -20.837 1.00 25.00 H new ATOM 0 HE ARG A 435 -31.827 -21.783 -23.073 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -28.495 -22.924 -22.601 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -28.647 -24.132 -23.881 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -31.914 -23.276 -24.699 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -30.533 -24.324 -25.038 1.00 25.00 H new ATOM 359 N GLN A 436 -28.168 -16.454 -21.337 1.00 25.00 N ATOM 360 CA GLN A 436 -26.964 -15.697 -21.000 1.00 25.00 C ATOM 361 C GLN A 436 -27.219 -14.217 -20.748 1.00 25.00 C ATOM 362 O GLN A 436 -26.671 -13.657 -19.809 1.00 25.00 O ATOM 363 CB GLN A 436 -25.928 -15.821 -22.114 1.00 25.00 C ATOM 364 CG GLN A 436 -25.076 -17.074 -22.032 1.00 25.00 C ATOM 365 CD GLN A 436 -25.755 -18.306 -22.593 1.00 25.00 C ATOM 366 OE1 GLN A 436 -26.346 -19.090 -21.860 1.00 25.00 O ATOM 367 NE2 GLN A 436 -25.666 -18.486 -23.883 1.00 25.00 N ATOM 0 H GLN A 436 -28.154 -16.874 -22.267 1.00 25.00 H new ATOM 0 HA GLN A 436 -26.599 -16.133 -20.070 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -26.441 -15.806 -23.076 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -25.275 -14.948 -22.087 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -24.144 -16.906 -22.571 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -24.813 -17.257 -20.990 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -25.165 -17.810 -24.459 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -26.098 -19.303 -24.315 1.00 25.00 H new ATOM 376 N VAL A 437 -28.034 -13.577 -21.573 1.00 25.00 N ATOM 377 CA VAL A 437 -28.304 -12.142 -21.400 1.00 25.00 C ATOM 378 C VAL A 437 -29.003 -11.843 -20.080 1.00 25.00 C ATOM 379 O VAL A 437 -28.780 -10.803 -19.479 1.00 25.00 O ATOM 380 CB VAL A 437 -29.150 -11.530 -22.558 1.00 25.00 C ATOM 381 CG1 VAL A 437 -28.374 -11.583 -23.882 1.00 25.00 C ATOM 382 CG2 VAL A 437 -30.493 -12.205 -22.728 1.00 25.00 C ATOM 0 H VAL A 437 -28.517 -14.012 -22.359 1.00 25.00 H new ATOM 0 HA VAL A 437 -27.319 -11.676 -21.407 1.00 25.00 H new ATOM 0 HB VAL A 437 -29.340 -10.493 -22.282 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -28.982 -11.151 -24.677 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -27.448 -11.016 -23.784 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -28.141 -12.619 -24.126 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -31.035 -11.735 -23.549 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -30.344 -13.262 -22.950 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -31.069 -12.105 -21.808 1.00 25.00 H new ATOM 392 N LEU A 438 -29.836 -12.768 -19.634 1.00 25.00 N ATOM 393 CA LEU A 438 -30.550 -12.631 -18.362 1.00 25.00 C ATOM 394 C LEU A 438 -29.627 -12.853 -17.161 1.00 25.00 C ATOM 395 O LEU A 438 -29.925 -12.409 -16.056 1.00 25.00 O ATOM 396 CB LEU A 438 -31.718 -13.624 -18.302 1.00 25.00 C ATOM 397 CG LEU A 438 -32.921 -13.303 -19.206 1.00 25.00 C ATOM 398 CD1 LEU A 438 -33.887 -14.488 -19.208 1.00 25.00 C ATOM 399 CD2 LEU A 438 -33.659 -12.040 -18.743 1.00 25.00 C ATOM 0 H LEU A 438 -30.040 -13.633 -20.135 1.00 25.00 H new ATOM 0 HA LEU A 438 -30.929 -11.610 -18.311 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -31.343 -14.613 -18.567 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -32.068 -13.681 -17.271 1.00 25.00 H new ATOM 0 HG LEU A 438 -32.546 -13.121 -20.213 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -34.740 -14.261 -19.848 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -33.376 -15.374 -19.585 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -34.236 -14.675 -18.192 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -34.502 -11.847 -19.407 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -34.024 -12.184 -17.726 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -32.977 -11.190 -18.767 1.00 25.00 H new ATOM 720 N ALA A 462 -17.181 -32.193 -45.056 1.00 25.00 N ATOM 721 CA ALA A 462 -16.178 -32.536 -44.059 1.00 25.00 C ATOM 722 C ALA A 462 -16.846 -33.055 -42.784 1.00 25.00 C ATOM 723 O ALA A 462 -16.361 -34.006 -42.175 1.00 25.00 O ATOM 724 CB ALA A 462 -15.301 -31.319 -43.750 1.00 25.00 C ATOM 0 HA ALA A 462 -15.545 -33.327 -44.460 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -14.555 -31.589 -43.003 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -14.800 -30.991 -44.661 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -15.923 -30.510 -43.366 1.00 25.00 H new ATOM 730 N LEU A 463 -17.958 -32.450 -42.380 1.00 25.00 N ATOM 731 CA LEU A 463 -18.657 -32.898 -41.182 1.00 25.00 C ATOM 732 C LEU A 463 -19.214 -34.301 -41.409 1.00 25.00 C ATOM 733 O LEU A 463 -19.216 -35.109 -40.498 1.00 25.00 O ATOM 734 CB LEU A 463 -19.735 -31.882 -40.765 1.00 25.00 C ATOM 735 CG LEU A 463 -21.220 -32.117 -41.102 1.00 25.00 C ATOM 736 CD1 LEU A 463 -21.912 -33.055 -40.110 1.00 25.00 C ATOM 737 CD2 LEU A 463 -21.930 -30.785 -41.089 1.00 25.00 C ATOM 0 H LEU A 463 -18.390 -31.659 -42.857 1.00 25.00 H new ATOM 0 HA LEU A 463 -17.958 -32.956 -40.347 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.667 -31.771 -39.683 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.456 -30.923 -41.202 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.266 -32.590 -42.083 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -22.955 -33.183 -40.398 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.412 -34.024 -40.116 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -21.862 -32.627 -39.109 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -22.984 -30.932 -41.326 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -21.840 -30.334 -40.101 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.480 -30.126 -41.831 1.00 25.00 H new ATOM 749 N GLN A 464 -19.658 -34.613 -42.622 1.00 25.00 N ATOM 750 CA GLN A 464 -20.138 -35.972 -42.910 1.00 25.00 C ATOM 751 C GLN A 464 -19.020 -36.980 -42.675 1.00 25.00 C ATOM 752 O GLN A 464 -19.248 -38.090 -42.199 1.00 25.00 O ATOM 753 CB GLN A 464 -20.630 -36.101 -44.346 1.00 25.00 C ATOM 754 CG GLN A 464 -21.848 -35.275 -44.639 1.00 25.00 C ATOM 755 CD GLN A 464 -22.455 -35.633 -45.961 1.00 25.00 C ATOM 756 OE1 GLN A 464 -21.807 -35.569 -47.003 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.694 -36.024 -45.933 1.00 25.00 N ATOM 0 H GLN A 464 -19.698 -33.965 -43.409 1.00 25.00 H new ATOM 0 HA GLN A 464 -20.973 -36.174 -42.239 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -19.829 -35.806 -45.024 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -20.853 -37.148 -44.553 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.585 -35.420 -43.849 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -21.581 -34.218 -44.635 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.197 -36.063 -45.046 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.164 -36.292 -46.798 1.00 25.00 H new ATOM 766 N GLY A 465 -17.805 -36.571 -42.995 1.00 25.00 N ATOM 767 CA GLY A 465 -16.649 -37.412 -42.772 1.00 25.00 C ATOM 768 C GLY A 465 -16.432 -37.561 -41.286 1.00 25.00 C ATOM 769 O GLY A 465 -16.233 -38.663 -40.804 1.00 25.00 O ATOM 0 H GLY A 465 -17.596 -35.663 -43.409 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -16.800 -38.389 -43.231 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -15.768 -36.973 -43.239 1.00 25.00 H new ATOM 773 N ALA A 466 -16.494 -36.451 -40.562 1.00 25.00 N ATOM 774 CA ALA A 466 -16.304 -36.444 -39.111 1.00 25.00 C ATOM 775 C ALA A 466 -17.244 -37.435 -38.409 1.00 25.00 C ATOM 776 O ALA A 466 -16.849 -38.114 -37.469 1.00 25.00 O ATOM 777 CB ALA A 466 -16.522 -35.029 -38.569 1.00 25.00 C ATOM 0 H ALA A 466 -16.677 -35.530 -40.960 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.282 -36.761 -38.903 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.380 -35.027 -37.488 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.806 -34.348 -39.030 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.535 -34.702 -38.802 1.00 25.00 H new ATOM 783 N GLN A 467 -18.479 -37.520 -38.875 1.00 25.00 N ATOM 784 CA GLN A 467 -19.452 -38.446 -38.296 1.00 25.00 C ATOM 785 C GLN A 467 -19.035 -39.902 -38.520 1.00 25.00 C ATOM 786 O GLN A 467 -19.112 -40.732 -37.619 1.00 25.00 O ATOM 787 CB GLN A 467 -20.810 -38.241 -38.958 1.00 25.00 C ATOM 788 CG GLN A 467 -21.429 -36.848 -38.769 1.00 25.00 C ATOM 789 CD GLN A 467 -21.917 -36.568 -37.364 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.076 -37.461 -36.550 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.168 -35.314 -37.085 1.00 25.00 N ATOM 0 H GLN A 467 -18.836 -36.962 -39.651 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.503 -38.245 -37.226 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.708 -38.433 -40.026 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.503 -38.985 -38.565 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.689 -36.095 -39.041 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.265 -36.738 -39.460 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.022 -34.595 -37.794 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.509 -35.056 -36.159 1.00 25.00 H new ATOM 800 N ALA A 468 -18.603 -40.213 -39.735 1.00 25.00 N ATOM 801 CA ALA A 468 -18.226 -41.581 -40.082 1.00 25.00 C ATOM 802 C ALA A 468 -16.948 -42.013 -39.357 1.00 25.00 C ATOM 803 O ALA A 468 -16.858 -43.125 -38.830 1.00 25.00 O ATOM 804 CB ALA A 468 -18.039 -41.693 -41.603 1.00 25.00 C ATOM 0 H ALA A 468 -18.504 -39.541 -40.496 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.027 -42.248 -39.762 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.758 -42.714 -41.861 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.972 -41.436 -42.104 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.254 -41.008 -41.924 1.00 25.00 H new ATOM 810 N VAL A 469 -15.956 -41.135 -39.330 1.00 25.00 N ATOM 811 CA VAL A 469 -14.678 -41.452 -38.693 1.00 25.00 C ATOM 812 C VAL A 469 -14.841 -41.569 -37.191 1.00 25.00 C ATOM 813 O VAL A 469 -14.073 -42.261 -36.551 1.00 25.00 O ATOM 814 CB VAL A 469 -13.550 -40.433 -39.031 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.363 -40.351 -40.544 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.853 -39.058 -38.467 1.00 25.00 C ATOM 0 H VAL A 469 -16.007 -40.202 -39.738 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.367 -42.413 -39.103 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.628 -40.785 -38.568 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.573 -39.637 -40.775 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.089 -41.333 -40.930 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.294 -40.025 -41.008 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.044 -38.374 -38.723 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.788 -38.689 -38.890 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.945 -39.122 -37.383 1.00 25.00 H new ATOM 826 N ALA A 470 -15.829 -40.890 -36.623 1.00 25.00 N ATOM 827 CA ALA A 470 -16.062 -40.938 -35.177 1.00 25.00 C ATOM 828 C ALA A 470 -16.220 -42.381 -34.678 1.00 25.00 C ATOM 829 O ALA A 470 -15.797 -42.704 -33.566 1.00 25.00 O ATOM 830 CB ALA A 470 -17.293 -40.107 -34.805 1.00 25.00 C ATOM 0 H ALA A 470 -16.483 -40.299 -37.136 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.187 -40.511 -34.687 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.451 -40.154 -33.728 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.136 -39.071 -35.104 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.169 -40.504 -35.318 1.00 25.00 H new ATOM 836 N ALA A 471 -16.806 -43.249 -35.494 1.00 25.00 N ATOM 837 CA ALA A 471 -16.959 -44.655 -35.124 1.00 25.00 C ATOM 838 C ALA A 471 -15.582 -45.332 -35.006 1.00 25.00 C ATOM 839 O ALA A 471 -15.357 -46.153 -34.123 1.00 25.00 O ATOM 840 CB ALA A 471 -17.829 -45.377 -36.159 1.00 25.00 C ATOM 0 H ALA A 471 -17.182 -43.008 -36.411 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.451 -44.713 -34.153 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.938 -46.424 -35.876 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.812 -44.908 -36.199 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.357 -45.314 -37.139 1.00 25.00 H new ATOM 846 N ALA A 472 -14.664 -44.972 -35.890 1.00 25.00 N ATOM 847 CA ALA A 472 -13.304 -45.500 -35.836 1.00 25.00 C ATOM 848 C ALA A 472 -12.542 -44.877 -34.659 1.00 25.00 C ATOM 849 O ALA A 472 -11.747 -45.539 -34.013 1.00 25.00 O ATOM 850 CB ALA A 472 -12.575 -45.221 -37.158 1.00 25.00 C ATOM 0 H ALA A 472 -14.833 -44.317 -36.654 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.349 -46.579 -35.687 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.562 -45.619 -37.106 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.111 -45.700 -37.977 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.534 -44.146 -37.331 1.00 25.00 H new ATOM 856 N GLN A 473 -12.783 -43.602 -34.390 1.00 25.00 N ATOM 857 CA GLN A 473 -12.092 -42.910 -33.304 1.00 25.00 C ATOM 858 C GLN A 473 -12.453 -43.463 -31.937 1.00 25.00 C ATOM 859 O GLN A 473 -11.583 -43.721 -31.113 1.00 25.00 O ATOM 860 CB GLN A 473 -12.424 -41.413 -33.299 1.00 25.00 C ATOM 861 CG GLN A 473 -11.996 -40.637 -34.538 1.00 25.00 C ATOM 862 CD GLN A 473 -10.499 -40.433 -34.646 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.746 -40.714 -33.731 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.067 -39.938 -35.777 1.00 25.00 N ATOM 0 H GLN A 473 -13.448 -43.025 -34.905 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.029 -43.069 -33.488 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.501 -41.299 -33.176 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.953 -40.958 -32.427 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.346 -41.165 -35.425 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.486 -39.664 -34.533 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.728 -39.715 -36.521 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.069 -39.775 -35.915 1.00 25.00 H new ATOM 873 N ARG A 474 -13.740 -43.662 -31.690 1.00 25.00 N ATOM 874 CA ARG A 474 -14.179 -44.208 -30.398 1.00 25.00 C ATOM 875 C ARG A 474 -13.607 -45.608 -30.217 1.00 25.00 C ATOM 876 O ARG A 474 -13.378 -46.057 -29.101 1.00 25.00 O ATOM 877 CB ARG A 474 -15.713 -44.210 -30.273 1.00 25.00 C ATOM 878 CG ARG A 474 -16.443 -45.110 -31.258 1.00 25.00 C ATOM 879 CD ARG A 474 -17.954 -44.959 -31.160 1.00 25.00 C ATOM 880 NE ARG A 474 -18.478 -45.454 -29.875 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.759 -45.455 -29.520 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.704 -44.994 -30.304 1.00 25.00 N ATOM 883 NH2 ARG A 474 -20.097 -45.932 -28.354 1.00 25.00 N ATOM 0 H ARG A 474 -14.492 -43.460 -32.349 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.801 -43.565 -29.603 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.978 -44.516 -29.261 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.073 -43.189 -30.403 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.121 -44.874 -32.272 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.170 -46.148 -31.071 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.222 -43.909 -31.280 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.426 -45.504 -31.978 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.805 -45.825 -29.205 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.467 -44.618 -31.222 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.676 -45.012 -29.996 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.382 -46.299 -27.726 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -21.077 -45.938 -28.070 1.00 25.00 H new ATOM 897 N LEU A 475 -13.366 -46.281 -31.330 1.00 25.00 N ATOM 898 CA LEU A 475 -12.770 -47.604 -31.323 1.00 25.00 C ATOM 899 C LEU A 475 -11.265 -47.526 -31.024 1.00 25.00 C ATOM 900 O LEU A 475 -10.790 -48.216 -30.132 1.00 25.00 O ATOM 901 CB LEU A 475 -13.037 -48.285 -32.679 1.00 25.00 C ATOM 902 CG LEU A 475 -11.939 -49.165 -33.294 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.695 -50.436 -32.456 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.325 -49.557 -34.709 1.00 25.00 C ATOM 0 H LEU A 475 -13.578 -45.925 -32.262 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.223 -48.201 -30.532 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.930 -48.900 -32.569 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.275 -47.503 -33.400 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.016 -48.585 -33.308 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -10.912 -51.034 -32.922 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.386 -50.154 -31.449 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.614 -51.019 -32.404 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.542 -50.181 -35.140 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.263 -50.113 -34.690 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.448 -48.659 -35.315 1.00 25.00 H new ATOM 916 N VAL A 476 -10.509 -46.715 -31.755 1.00 25.00 N ATOM 917 CA VAL A 476 -9.052 -46.692 -31.577 1.00 25.00 C ATOM 918 C VAL A 476 -8.710 -46.213 -30.175 1.00 25.00 C ATOM 919 O VAL A 476 -7.773 -46.704 -29.539 1.00 25.00 O ATOM 920 CB VAL A 476 -8.323 -45.851 -32.680 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.695 -44.388 -32.631 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.805 -46.011 -32.568 1.00 25.00 C ATOM 0 H VAL A 476 -10.866 -46.075 -32.464 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.684 -47.711 -31.695 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.656 -46.240 -33.642 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.162 -43.851 -33.416 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.769 -44.280 -32.782 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.422 -43.976 -31.660 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.319 -45.419 -33.343 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.474 -45.668 -31.588 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.540 -47.061 -32.693 1.00 25.00 H new ATOM 932 N HIS A 477 -9.495 -45.273 -29.679 1.00 25.00 N ATOM 933 CA HIS A 477 -9.308 -44.753 -28.351 1.00 25.00 C ATOM 934 C HIS A 477 -9.507 -45.856 -27.326 1.00 25.00 C ATOM 935 O HIS A 477 -8.812 -45.894 -26.327 1.00 25.00 O ATOM 936 CB HIS A 477 -10.295 -43.620 -28.105 1.00 25.00 C ATOM 937 CG HIS A 477 -10.011 -42.851 -26.855 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.949 -42.163 -26.128 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.843 -42.672 -26.182 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.340 -41.613 -25.080 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.053 -41.891 -25.064 1.00 25.00 N ATOM 0 H HIS A 477 -10.274 -44.855 -30.188 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.292 -44.369 -28.254 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.275 -42.938 -28.955 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.303 -44.031 -28.050 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.889 -43.082 -26.479 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.840 -41.013 -24.334 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.362 -41.594 -24.375 1.00 25.00 H new ATOM 949 N ALA A 478 -10.439 -46.767 -27.572 1.00 25.00 N ATOM 950 CA ALA A 478 -10.696 -47.837 -26.622 1.00 25.00 C ATOM 951 C ALA A 478 -9.429 -48.663 -26.396 1.00 25.00 C ATOM 952 O ALA A 478 -9.087 -48.974 -25.262 1.00 25.00 O ATOM 953 CB ALA A 478 -11.843 -48.727 -27.113 1.00 25.00 C ATOM 0 H ALA A 478 -11.021 -46.786 -28.409 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.992 -47.394 -25.671 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.022 -49.523 -26.390 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.747 -48.128 -27.224 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.578 -49.165 -28.075 1.00 25.00 H new ATOM 959 N ILE A 479 -8.723 -49.010 -27.464 1.00 25.00 N ATOM 960 CA ILE A 479 -7.515 -49.823 -27.315 1.00 25.00 C ATOM 961 C ILE A 479 -6.399 -48.989 -26.699 1.00 25.00 C ATOM 962 O ILE A 479 -5.590 -49.492 -25.930 1.00 25.00 O ATOM 963 CB ILE A 479 -6.999 -50.402 -28.648 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.132 -51.080 -29.426 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.885 -51.440 -28.386 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.383 -50.407 -30.718 1.00 25.00 C ATOM 0 H ILE A 479 -8.955 -48.751 -28.423 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.792 -50.657 -26.671 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.604 -49.575 -29.237 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.878 -52.125 -29.603 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.042 -51.070 -28.827 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.530 -51.840 -29.336 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.058 -50.961 -27.862 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.280 -52.252 -27.775 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.193 -50.915 -31.242 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.662 -49.369 -30.539 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.480 -50.440 -31.327 1.00 25.00 H new ATOM 978 N ALA A 480 -6.365 -47.704 -27.020 1.00 25.00 N ATOM 979 CA ALA A 480 -5.348 -46.809 -26.478 1.00 25.00 C ATOM 980 C ALA A 480 -5.432 -46.809 -24.943 1.00 25.00 C ATOM 981 O ALA A 480 -4.433 -46.641 -24.246 1.00 25.00 O ATOM 982 CB ALA A 480 -5.544 -45.390 -27.044 1.00 25.00 C ATOM 0 H ALA A 480 -7.028 -47.256 -27.652 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.357 -47.156 -26.771 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.782 -44.727 -26.635 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.458 -45.416 -28.130 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.532 -45.021 -26.767 1.00 25.00 H new ATOM 988 N LEU A 481 -6.630 -47.013 -24.420 1.00 25.00 N ATOM 989 CA LEU A 481 -6.822 -47.072 -22.970 1.00 25.00 C ATOM 990 C LEU A 481 -6.348 -48.396 -22.439 1.00 25.00 C ATOM 991 O LEU A 481 -5.689 -48.470 -21.424 1.00 25.00 O ATOM 992 CB LEU A 481 -8.283 -46.878 -22.601 1.00 25.00 C ATOM 993 CG LEU A 481 -8.766 -45.525 -23.098 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.274 -45.563 -23.261 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.351 -44.386 -22.175 1.00 25.00 C ATOM 0 H LEU A 481 -7.481 -47.140 -24.968 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.239 -46.266 -22.524 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.887 -47.673 -23.039 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.406 -46.943 -21.520 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.295 -45.329 -24.061 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.626 -44.595 -23.617 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.543 -46.335 -23.982 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.738 -45.787 -22.301 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.720 -43.441 -22.574 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.772 -44.550 -21.183 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.264 -44.351 -22.107 1.00 25.00 H new ATOM 1007 N MET A 482 -6.676 -49.461 -23.143 1.00 25.00 N ATOM 1008 CA MET A 482 -6.277 -50.792 -22.707 1.00 25.00 C ATOM 1009 C MET A 482 -4.790 -50.956 -22.699 1.00 25.00 C ATOM 1010 O MET A 482 -4.248 -51.759 -21.937 1.00 25.00 O ATOM 1011 CB MET A 482 -6.871 -51.845 -23.621 1.00 25.00 C ATOM 1012 CG MET A 482 -8.326 -51.745 -23.617 1.00 25.00 C ATOM 1013 SD MET A 482 -9.158 -53.277 -24.041 1.00 25.00 S ATOM 1014 CE MET A 482 -8.957 -53.288 -25.829 1.00 25.00 C ATOM 0 H MET A 482 -7.212 -49.436 -24.011 1.00 25.00 H new ATOM 0 HA MET A 482 -6.649 -50.916 -21.690 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.492 -51.714 -24.635 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.566 -52.838 -23.292 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.656 -51.425 -22.629 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.630 -50.970 -24.321 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.424 -54.182 -26.242 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.430 -52.403 -26.254 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.895 -53.286 -26.076 1.00 25.00 H new ATOM 1024 N THR A 483 -4.125 -50.200 -23.547 1.00 25.00 N ATOM 1025 CA THR A 483 -2.683 -50.341 -23.667 1.00 25.00 C ATOM 1026 C THR A 483 -1.998 -49.537 -22.581 1.00 25.00 C ATOM 1027 O THR A 483 -0.979 -49.965 -22.058 1.00 25.00 O ATOM 1028 CB THR A 483 -2.199 -49.947 -25.066 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.781 -48.702 -25.442 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.645 -50.989 -26.082 1.00 25.00 C ATOM 0 H THR A 483 -4.545 -49.495 -24.153 1.00 25.00 H new ATOM 0 HA THR A 483 -2.418 -51.390 -23.532 1.00 25.00 H new ATOM 0 HB THR A 483 -1.112 -49.874 -25.047 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.691 -48.853 -25.773 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.297 -50.702 -27.074 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.225 -51.959 -25.817 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.733 -51.053 -26.084 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.562 -48.396 -22.209 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.976 -47.609 -21.123 1.00 25.00 C ATOM 1040 C GLN A 484 -2.366 -48.192 -19.759 1.00 25.00 C ATOM 1041 O GLN A 484 -1.636 -48.025 -18.792 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.348 -46.121 -21.233 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.797 -45.790 -20.929 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.150 -44.363 -21.273 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.268 -43.517 -20.407 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.332 -44.097 -22.539 1.00 25.00 N ATOM 0 H GLN A 484 -3.403 -47.999 -22.628 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.892 -47.669 -21.215 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.713 -45.554 -20.553 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.119 -45.780 -22.243 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.445 -46.466 -21.487 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.991 -45.964 -19.871 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.224 -44.834 -23.236 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.582 -43.152 -22.831 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.497 -48.889 -19.670 1.00 25.00 N ATOM 1056 CA PHE A 485 -3.881 -49.520 -18.424 1.00 25.00 C ATOM 1057 C PHE A 485 -3.188 -50.865 -18.243 1.00 25.00 C ATOM 1058 O PHE A 485 -3.156 -51.406 -17.139 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.393 -49.732 -18.379 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.134 -48.629 -17.676 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.687 -47.553 -18.397 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.283 -48.661 -16.277 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.385 -46.517 -17.731 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -6.981 -47.631 -15.597 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.532 -46.557 -16.328 1.00 25.00 C ATOM 0 H PHE A 485 -4.152 -49.026 -20.440 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.575 -48.855 -17.616 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.770 -49.820 -19.398 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.604 -50.677 -17.879 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.577 -47.518 -19.471 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -5.860 -49.480 -15.714 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.804 -45.697 -18.296 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.091 -47.668 -14.523 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.064 -45.769 -15.816 1.00 25.00 H new