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 -140:sc= -0.339 (180deg=-0.847) USER MOD Single : A 433 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 434 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 436 GLN : amide:sc= 0.121 X(o=0.12,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 467 GLN : amide:sc=-0.00627 K(o=-0.0063,f=-0.94) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 477 HIS : no HD1:sc= -0.099 X(o=-0.099,f=0) USER MOD Single : A 482 MET CE :methyl 177:sc=-0.00491 (180deg=-0.0284) USER MOD Single : A 483 THR OG1 : rot 1:sc= 0.324 USER MOD Single : A 484 GLN : amide:sc= 0.233 X(o=0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -6.534 -33.026 -40.089 1.00 25.00 N ATOM 114 CA GLU A 419 -7.068 -32.887 -38.736 1.00 25.00 C ATOM 115 C GLU A 419 -6.666 -31.521 -38.183 1.00 25.00 C ATOM 116 O GLU A 419 -7.428 -30.912 -37.467 1.00 25.00 O ATOM 117 CB GLU A 419 -6.572 -34.031 -37.832 1.00 25.00 C ATOM 118 CG GLU A 419 -7.120 -35.411 -38.270 1.00 25.00 C ATOM 119 CD GLU A 419 -6.601 -36.585 -37.425 1.00 25.00 C ATOM 120 OE1 GLU A 419 -5.926 -37.480 -38.002 1.00 25.00 O ATOM 121 OE2 GLU A 419 -6.873 -36.631 -36.210 1.00 25.00 O ATOM 0 HA GLU A 419 -8.156 -32.951 -38.762 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -5.482 -34.055 -37.846 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -6.873 -33.834 -36.803 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -8.209 -35.392 -38.217 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -6.854 -35.582 -39.313 1.00 25.00 H new ATOM 128 N VAL A 420 -5.487 -31.029 -38.543 1.00 25.00 N ATOM 129 CA VAL A 420 -5.038 -29.689 -38.123 1.00 25.00 C ATOM 130 C VAL A 420 -5.966 -28.603 -38.681 1.00 25.00 C ATOM 131 O VAL A 420 -6.265 -27.625 -38.000 1.00 25.00 O ATOM 132 CB VAL A 420 -3.561 -29.420 -38.570 1.00 25.00 C ATOM 133 CG1 VAL A 420 -3.156 -27.952 -38.338 1.00 25.00 C ATOM 134 CG2 VAL A 420 -2.609 -30.315 -37.785 1.00 25.00 C ATOM 0 H VAL A 420 -4.817 -31.531 -39.125 1.00 25.00 H new ATOM 0 HA VAL A 420 -5.077 -29.655 -37.034 1.00 25.00 H new ATOM 0 HB VAL A 420 -3.499 -29.638 -39.636 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -2.125 -27.804 -38.660 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -3.813 -27.298 -38.912 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -3.243 -27.714 -37.278 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -1.584 -30.122 -38.102 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -2.706 -30.104 -36.720 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -2.856 -31.360 -37.971 1.00 25.00 H new ATOM 144 N SER A 421 -6.442 -28.770 -39.904 1.00 25.00 N ATOM 145 CA SER A 421 -7.358 -27.788 -40.481 1.00 25.00 C ATOM 146 C SER A 421 -8.669 -27.737 -39.695 1.00 25.00 C ATOM 147 O SER A 421 -9.243 -26.669 -39.500 1.00 25.00 O ATOM 148 CB SER A 421 -7.656 -28.140 -41.933 1.00 25.00 C ATOM 149 OG SER A 421 -6.463 -28.154 -42.698 1.00 25.00 O ATOM 0 H SER A 421 -6.218 -29.559 -40.510 1.00 25.00 H new ATOM 0 HA SER A 421 -6.879 -26.810 -40.431 1.00 25.00 H new ATOM 0 HB2 SER A 421 -8.139 -29.116 -41.984 1.00 25.00 H new ATOM 0 HB3 SER A 421 -8.355 -27.416 -42.352 1.00 25.00 H new ATOM 0 HG SER A 421 -6.673 -28.384 -43.627 1.00 25.00 H new ATOM 155 N ASP A 422 -9.126 -28.893 -39.240 1.00 25.00 N ATOM 156 CA ASP A 422 -10.360 -28.981 -38.455 1.00 25.00 C ATOM 157 C ASP A 422 -10.106 -28.493 -37.032 1.00 25.00 C ATOM 158 O ASP A 422 -10.977 -27.918 -36.387 1.00 25.00 O ATOM 159 CB ASP A 422 -10.852 -30.434 -38.441 1.00 25.00 C ATOM 160 CG ASP A 422 -12.367 -30.548 -38.305 1.00 25.00 C ATOM 161 OD1 ASP A 422 -12.837 -31.601 -37.818 1.00 25.00 O ATOM 162 OD2 ASP A 422 -13.088 -29.607 -38.703 1.00 25.00 O ATOM 0 H ASP A 422 -8.664 -29.789 -39.398 1.00 25.00 H new ATOM 0 HA ASP A 422 -11.125 -28.350 -38.907 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -10.537 -30.928 -39.360 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -10.377 -30.965 -37.616 1.00 25.00 H new ATOM 167 N MET A 423 -8.888 -28.715 -36.561 1.00 25.00 N ATOM 168 CA MET A 423 -8.464 -28.296 -35.226 1.00 25.00 C ATOM 169 C MET A 423 -8.589 -26.787 -35.109 1.00 25.00 C ATOM 170 O MET A 423 -9.095 -26.281 -34.127 1.00 25.00 O ATOM 171 CB MET A 423 -7.009 -28.722 -34.984 1.00 25.00 C ATOM 172 CG MET A 423 -6.575 -28.756 -33.530 1.00 25.00 C ATOM 173 SD MET A 423 -4.783 -29.113 -33.385 1.00 25.00 S ATOM 174 CE MET A 423 -4.597 -30.754 -34.208 1.00 25.00 C ATOM 0 H MET A 423 -8.160 -29.192 -37.093 1.00 25.00 H new ATOM 0 HA MET A 423 -9.099 -28.770 -34.477 1.00 25.00 H new ATOM 0 HB2 MET A 423 -6.862 -29.713 -35.413 1.00 25.00 H new ATOM 0 HB3 MET A 423 -6.353 -28.040 -35.526 1.00 25.00 H new ATOM 0 HG2 MET A 423 -6.798 -27.799 -33.058 1.00 25.00 H new ATOM 0 HG3 MET A 423 -7.145 -29.516 -32.995 1.00 25.00 H new ATOM 0 HE1 MET A 423 -3.895 -31.367 -33.643 1.00 25.00 H new ATOM 0 HE2 MET A 423 -5.565 -31.254 -34.246 1.00 25.00 H new ATOM 0 HE3 MET A 423 -4.221 -30.612 -35.221 1.00 25.00 H new ATOM 184 N ALA A 424 -8.138 -26.073 -36.129 1.00 25.00 N ATOM 185 CA ALA A 424 -8.184 -24.615 -36.113 1.00 25.00 C ATOM 186 C ALA A 424 -9.633 -24.113 -36.075 1.00 25.00 C ATOM 187 O ALA A 424 -9.937 -23.087 -35.463 1.00 25.00 O ATOM 188 CB ALA A 424 -7.460 -24.064 -37.348 1.00 25.00 C ATOM 0 H ALA A 424 -7.737 -26.475 -36.976 1.00 25.00 H new ATOM 0 HA ALA A 424 -7.682 -24.259 -35.213 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -7.495 -22.975 -37.335 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -6.421 -24.394 -37.338 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -7.949 -24.432 -38.250 1.00 25.00 H new ATOM 194 N ALA A 425 -10.523 -24.837 -36.739 1.00 25.00 N ATOM 195 CA ALA A 425 -11.925 -24.447 -36.794 1.00 25.00 C ATOM 196 C ALA A 425 -12.604 -24.660 -35.438 1.00 25.00 C ATOM 197 O ALA A 425 -13.321 -23.787 -34.947 1.00 25.00 O ATOM 198 CB ALA A 425 -12.646 -25.256 -37.883 1.00 25.00 C ATOM 0 H ALA A 425 -10.301 -25.694 -37.245 1.00 25.00 H new ATOM 0 HA ALA A 425 -11.982 -23.386 -37.038 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -13.695 -24.961 -37.921 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -12.180 -25.062 -38.849 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -12.576 -26.319 -37.653 1.00 25.00 H new ATOM 204 N VAL A 426 -12.388 -25.823 -34.838 1.00 25.00 N ATOM 205 CA VAL A 426 -13.023 -26.140 -33.562 1.00 25.00 C ATOM 206 C VAL A 426 -12.432 -25.303 -32.435 1.00 25.00 C ATOM 207 O VAL A 426 -13.142 -24.902 -31.528 1.00 25.00 O ATOM 208 CB VAL A 426 -12.957 -27.668 -33.260 1.00 25.00 C ATOM 209 CG1 VAL A 426 -11.546 -28.152 -32.957 1.00 25.00 C ATOM 210 CG2 VAL A 426 -13.892 -28.028 -32.119 1.00 25.00 C ATOM 0 H VAL A 426 -11.784 -26.557 -35.208 1.00 25.00 H new ATOM 0 HA VAL A 426 -14.079 -25.879 -33.635 1.00 25.00 H new ATOM 0 HB VAL A 426 -13.280 -28.178 -34.168 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -11.564 -29.223 -32.755 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -10.902 -27.955 -33.814 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -11.160 -27.625 -32.085 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -13.832 -29.099 -31.923 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -13.602 -27.478 -31.224 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -14.915 -27.766 -32.390 1.00 25.00 H new ATOM 220 N GLU A 427 -11.144 -25.016 -32.506 1.00 25.00 N ATOM 221 CA GLU A 427 -10.490 -24.165 -31.505 1.00 25.00 C ATOM 222 C GLU A 427 -11.183 -22.811 -31.447 1.00 25.00 C ATOM 223 O GLU A 427 -11.483 -22.306 -30.368 1.00 25.00 O ATOM 224 CB GLU A 427 -9.011 -23.943 -31.846 1.00 25.00 C ATOM 225 CG GLU A 427 -8.070 -25.023 -31.317 1.00 25.00 C ATOM 226 CD GLU A 427 -6.607 -24.744 -31.671 1.00 25.00 C ATOM 227 OE1 GLU A 427 -6.327 -24.304 -32.810 1.00 25.00 O ATOM 228 OE2 GLU A 427 -5.735 -24.958 -30.797 1.00 25.00 O ATOM 0 H GLU A 427 -10.524 -25.355 -33.242 1.00 25.00 H new ATOM 0 HA GLU A 427 -10.560 -24.670 -30.542 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -8.906 -23.886 -32.929 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -8.699 -22.979 -31.444 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -8.172 -25.092 -30.234 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -8.363 -25.989 -31.727 1.00 25.00 H new ATOM 235 N ALA A 428 -11.451 -22.225 -32.605 1.00 25.00 N ATOM 236 CA ALA A 428 -12.111 -20.927 -32.658 1.00 25.00 C ATOM 237 C ALA A 428 -13.530 -21.017 -32.083 1.00 25.00 C ATOM 238 O ALA A 428 -13.973 -20.123 -31.356 1.00 25.00 O ATOM 239 CB ALA A 428 -12.148 -20.420 -34.105 1.00 25.00 C ATOM 0 H ALA A 428 -11.224 -22.624 -33.516 1.00 25.00 H new ATOM 0 HA ALA A 428 -11.545 -20.221 -32.051 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -12.643 -19.449 -34.138 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -11.130 -20.322 -34.482 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -12.698 -21.128 -34.725 1.00 25.00 H new ATOM 245 N ALA A 429 -14.225 -22.100 -32.404 1.00 25.00 N ATOM 246 CA ALA A 429 -15.591 -22.301 -31.934 1.00 25.00 C ATOM 247 C ALA A 429 -15.636 -22.465 -30.409 1.00 25.00 C ATOM 248 O ALA A 429 -16.474 -21.872 -29.741 1.00 25.00 O ATOM 249 CB ALA A 429 -16.201 -23.528 -32.624 1.00 25.00 C ATOM 0 H ALA A 429 -13.866 -22.854 -32.989 1.00 25.00 H new ATOM 0 HA ALA A 429 -16.177 -21.418 -32.189 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -17.221 -23.675 -32.270 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -16.210 -23.372 -33.703 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -15.606 -24.411 -32.390 1.00 25.00 H new ATOM 255 N GLU A 430 -14.731 -23.258 -29.857 1.00 25.00 N ATOM 256 CA GLU A 430 -14.689 -23.484 -28.410 1.00 25.00 C ATOM 257 C GLU A 430 -14.396 -22.172 -27.705 1.00 25.00 C ATOM 258 O GLU A 430 -14.996 -21.846 -26.679 1.00 25.00 O ATOM 259 CB GLU A 430 -13.591 -24.490 -28.052 1.00 25.00 C ATOM 260 CG GLU A 430 -13.862 -25.900 -28.543 1.00 25.00 C ATOM 261 CD GLU A 430 -14.387 -26.816 -27.443 1.00 25.00 C ATOM 262 OE1 GLU A 430 -15.557 -27.251 -27.533 1.00 25.00 O ATOM 263 OE2 GLU A 430 -13.626 -27.113 -26.492 1.00 25.00 O ATOM 0 H GLU A 430 -14.014 -23.758 -30.383 1.00 25.00 H new ATOM 0 HA GLU A 430 -15.654 -23.880 -28.093 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -12.646 -24.145 -28.472 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -13.470 -24.510 -26.969 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -14.587 -25.864 -29.357 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -12.944 -26.320 -28.953 1.00 25.00 H new ATOM 270 N LEU A 431 -13.473 -21.408 -28.269 1.00 25.00 N ATOM 271 CA LEU A 431 -13.099 -20.123 -27.688 1.00 25.00 C ATOM 272 C LEU A 431 -14.267 -19.143 -27.657 1.00 25.00 C ATOM 273 O LEU A 431 -14.469 -18.467 -26.647 1.00 25.00 O ATOM 274 CB LEU A 431 -11.930 -19.502 -28.461 1.00 25.00 C ATOM 275 CG LEU A 431 -10.543 -20.091 -28.154 1.00 25.00 C ATOM 276 CD1 LEU A 431 -9.536 -19.597 -29.192 1.00 25.00 C ATOM 277 CD2 LEU A 431 -10.065 -19.704 -26.746 1.00 25.00 C ATOM 0 H LEU A 431 -12.971 -21.651 -29.123 1.00 25.00 H new ATOM 0 HA LEU A 431 -12.796 -20.318 -26.659 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -12.124 -19.612 -29.528 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -11.906 -18.433 -28.250 1.00 25.00 H new ATOM 0 HG LEU A 431 -10.620 -21.177 -28.197 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -8.553 -20.015 -28.973 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -9.852 -19.914 -30.186 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -9.483 -18.509 -29.158 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -9.082 -20.138 -26.564 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -10.003 -18.619 -26.668 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -10.771 -20.081 -26.006 1.00 25.00 H new ATOM 289 N GLU A 432 -15.044 -19.046 -28.728 1.00 25.00 N ATOM 290 CA GLU A 432 -16.180 -18.121 -28.718 1.00 25.00 C ATOM 291 C GLU A 432 -17.325 -18.653 -27.847 1.00 25.00 C ATOM 292 O GLU A 432 -18.032 -17.866 -27.209 1.00 25.00 O ATOM 293 CB GLU A 432 -16.642 -17.740 -30.133 1.00 25.00 C ATOM 294 CG GLU A 432 -17.311 -18.830 -30.948 1.00 25.00 C ATOM 295 CD GLU A 432 -17.628 -18.363 -32.367 1.00 25.00 C ATOM 296 OE1 GLU A 432 -17.745 -19.217 -33.271 1.00 25.00 O ATOM 297 OE2 GLU A 432 -17.750 -17.132 -32.577 1.00 25.00 O ATOM 0 H GLU A 432 -14.919 -19.576 -29.591 1.00 25.00 H new ATOM 0 HA GLU A 432 -15.835 -17.194 -28.261 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -17.335 -16.903 -30.051 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -15.775 -17.383 -30.689 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -16.661 -19.704 -30.990 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -18.231 -19.141 -30.453 1.00 25.00 H new ATOM 304 N MET A 433 -17.494 -19.970 -27.778 1.00 25.00 N ATOM 305 CA MET A 433 -18.498 -20.561 -26.886 1.00 25.00 C ATOM 306 C MET A 433 -18.154 -20.180 -25.454 1.00 25.00 C ATOM 307 O MET A 433 -19.024 -19.820 -24.661 1.00 25.00 O ATOM 308 CB MET A 433 -18.512 -22.091 -26.992 1.00 25.00 C ATOM 309 CG MET A 433 -19.846 -22.665 -27.446 1.00 25.00 C ATOM 310 SD MET A 433 -20.060 -22.590 -29.234 1.00 25.00 S ATOM 311 CE MET A 433 -19.091 -24.026 -29.773 1.00 25.00 C ATOM 0 H MET A 433 -16.957 -20.646 -28.321 1.00 25.00 H new ATOM 0 HA MET A 433 -19.480 -20.186 -27.174 1.00 25.00 H new ATOM 0 HB2 MET A 433 -17.736 -22.404 -27.691 1.00 25.00 H new ATOM 0 HB3 MET A 433 -18.257 -22.515 -26.021 1.00 25.00 H new ATOM 0 HG2 MET A 433 -19.922 -23.702 -27.118 1.00 25.00 H new ATOM 0 HG3 MET A 433 -20.656 -22.118 -26.964 1.00 25.00 H new ATOM 0 HE1 MET A 433 -19.132 -24.106 -30.859 1.00 25.00 H new ATOM 0 HE2 MET A 433 -18.055 -23.905 -29.457 1.00 25.00 H new ATOM 0 HE3 MET A 433 -19.503 -24.931 -29.327 1.00 25.00 H new ATOM 321 N THR A 434 -16.870 -20.244 -25.131 1.00 25.00 N ATOM 322 CA THR A 434 -16.377 -19.891 -23.800 1.00 25.00 C ATOM 323 C THR A 434 -16.727 -18.437 -23.465 1.00 25.00 C ATOM 324 O THR A 434 -16.995 -18.111 -22.319 1.00 25.00 O ATOM 325 CB THR A 434 -14.840 -20.109 -23.700 1.00 25.00 C ATOM 326 OG1 THR A 434 -14.530 -21.464 -24.036 1.00 25.00 O ATOM 327 CG2 THR A 434 -14.325 -19.873 -22.291 1.00 25.00 C ATOM 0 H THR A 434 -16.140 -20.541 -25.779 1.00 25.00 H new ATOM 0 HA THR A 434 -16.864 -20.545 -23.077 1.00 25.00 H new ATOM 0 HB THR A 434 -14.371 -19.401 -24.383 1.00 25.00 H new ATOM 0 HG1 THR A 434 -14.667 -21.602 -24.996 1.00 25.00 H new ATOM 0 HG21 THR A 434 -13.248 -20.036 -22.265 1.00 25.00 H new ATOM 0 HG22 THR A 434 -14.544 -18.849 -21.990 1.00 25.00 H new ATOM 0 HG23 THR A 434 -14.813 -20.565 -21.605 1.00 25.00 H new ATOM 335 N ARG A 435 -16.751 -17.559 -24.457 1.00 25.00 N ATOM 336 CA ARG A 435 -17.093 -16.147 -24.207 1.00 25.00 C ATOM 337 C ARG A 435 -18.536 -16.036 -23.755 1.00 25.00 C ATOM 338 O ARG A 435 -18.839 -15.311 -22.811 1.00 25.00 O ATOM 339 CB ARG A 435 -16.926 -15.276 -25.461 1.00 25.00 C ATOM 340 CG ARG A 435 -15.526 -15.207 -26.038 1.00 25.00 C ATOM 341 CD ARG A 435 -14.542 -14.522 -25.101 1.00 25.00 C ATOM 342 NE ARG A 435 -13.251 -14.298 -25.775 1.00 25.00 N ATOM 343 CZ ARG A 435 -12.950 -13.245 -26.529 1.00 25.00 C ATOM 344 NH1 ARG A 435 -13.797 -12.265 -26.743 1.00 25.00 N ATOM 345 NH2 ARG A 435 -11.771 -13.177 -27.082 1.00 25.00 N ATOM 0 H ARG A 435 -16.543 -17.783 -25.430 1.00 25.00 H new ATOM 0 HA ARG A 435 -16.409 -15.791 -23.437 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -17.598 -15.652 -26.233 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -17.250 -14.263 -25.222 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -15.175 -16.216 -26.253 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -15.553 -14.670 -26.986 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -14.953 -13.570 -24.767 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -14.392 -15.134 -24.212 1.00 25.00 H new ATOM 0 HE ARG A 435 -12.529 -15.009 -25.653 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -14.726 -12.294 -26.324 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -13.526 -11.475 -27.328 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -11.094 -13.925 -26.934 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -11.526 -12.375 -27.663 1.00 25.00 H new ATOM 359 N GLN A 436 -19.428 -16.750 -24.426 1.00 25.00 N ATOM 360 CA GLN A 436 -20.845 -16.699 -24.073 1.00 25.00 C ATOM 361 C GLN A 436 -21.018 -17.266 -22.669 1.00 25.00 C ATOM 362 O GLN A 436 -21.720 -16.706 -21.842 1.00 25.00 O ATOM 363 CB GLN A 436 -21.687 -17.483 -25.065 1.00 25.00 C ATOM 364 CG GLN A 436 -21.928 -16.710 -26.336 1.00 25.00 C ATOM 365 CD GLN A 436 -21.949 -17.602 -27.528 1.00 25.00 C ATOM 366 OE1 GLN A 436 -22.948 -18.210 -27.848 1.00 25.00 O ATOM 367 NE2 GLN A 436 -20.837 -17.696 -28.188 1.00 25.00 N ATOM 0 H GLN A 436 -19.203 -17.365 -25.208 1.00 25.00 H new ATOM 0 HA GLN A 436 -21.184 -15.663 -24.103 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -21.188 -18.423 -25.301 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -22.644 -17.736 -24.608 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -22.876 -16.177 -26.264 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -21.148 -15.958 -26.458 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -20.018 -17.168 -27.886 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -20.781 -18.298 -29.009 1.00 25.00 H new ATOM 376 N VAL A 437 -20.345 -18.380 -22.427 1.00 25.00 N ATOM 377 CA VAL A 437 -20.356 -19.087 -21.148 1.00 25.00 C ATOM 378 C VAL A 437 -19.837 -18.243 -19.975 1.00 25.00 C ATOM 379 O VAL A 437 -20.399 -18.282 -18.884 1.00 25.00 O ATOM 380 CB VAL A 437 -19.504 -20.394 -21.326 1.00 25.00 C ATOM 381 CG1 VAL A 437 -18.841 -20.856 -20.038 1.00 25.00 C ATOM 382 CG2 VAL A 437 -20.374 -21.509 -21.920 1.00 25.00 C ATOM 0 H VAL A 437 -19.760 -18.832 -23.130 1.00 25.00 H new ATOM 0 HA VAL A 437 -21.388 -19.321 -20.887 1.00 25.00 H new ATOM 0 HB VAL A 437 -18.694 -20.155 -22.015 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -18.268 -21.763 -20.229 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -18.174 -20.076 -19.672 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -19.605 -21.061 -19.288 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -19.776 -22.412 -22.040 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -21.210 -21.714 -21.251 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -20.756 -21.194 -22.891 1.00 25.00 H new ATOM 392 N LEU A 438 -18.770 -17.488 -20.193 1.00 25.00 N ATOM 393 CA LEU A 438 -18.170 -16.682 -19.125 1.00 25.00 C ATOM 394 C LEU A 438 -19.034 -15.499 -18.715 1.00 25.00 C ATOM 395 O LEU A 438 -18.988 -15.069 -17.565 1.00 25.00 O ATOM 396 CB LEU A 438 -16.800 -16.152 -19.562 1.00 25.00 C ATOM 397 CG LEU A 438 -15.630 -17.148 -19.498 1.00 25.00 C ATOM 398 CD1 LEU A 438 -14.408 -16.526 -20.175 1.00 25.00 C ATOM 399 CD2 LEU A 438 -15.282 -17.527 -18.054 1.00 25.00 C ATOM 0 H LEU A 438 -18.299 -17.413 -21.095 1.00 25.00 H new ATOM 0 HA LEU A 438 -18.074 -17.345 -18.265 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -16.885 -15.790 -20.587 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -16.552 -15.292 -18.939 1.00 25.00 H new ATOM 0 HG LEU A 438 -15.930 -18.060 -20.015 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -13.574 -17.226 -20.134 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -14.643 -16.302 -21.216 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -14.135 -15.606 -19.659 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -14.451 -18.232 -18.053 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -14.999 -16.631 -17.501 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -16.149 -17.987 -17.580 1.00 25.00 H new ATOM 720 N ALA A 462 -17.412 -32.552 -45.221 1.00 25.00 N ATOM 721 CA ALA A 462 -16.424 -32.766 -44.177 1.00 25.00 C ATOM 722 C ALA A 462 -17.093 -33.455 -42.981 1.00 25.00 C ATOM 723 O ALA A 462 -16.580 -34.440 -42.461 1.00 25.00 O ATOM 724 CB ALA A 462 -15.804 -31.429 -43.752 1.00 25.00 C ATOM 0 HA ALA A 462 -15.626 -33.405 -44.556 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.065 -31.603 -42.969 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.320 -30.963 -44.610 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.585 -30.770 -43.374 1.00 25.00 H new ATOM 730 N LEU A 463 -18.243 -32.947 -42.553 1.00 25.00 N ATOM 731 CA LEU A 463 -18.934 -33.507 -41.394 1.00 25.00 C ATOM 732 C LEU A 463 -19.417 -34.924 -41.654 1.00 25.00 C ATOM 733 O LEU A 463 -19.385 -35.748 -40.762 1.00 25.00 O ATOM 734 CB LEU A 463 -20.079 -32.587 -40.924 1.00 25.00 C ATOM 735 CG LEU A 463 -21.533 -32.815 -41.387 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.277 -33.878 -40.560 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.284 -31.510 -41.267 1.00 25.00 C ATOM 0 H LEU A 463 -18.715 -32.154 -42.987 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.210 -33.565 -40.581 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.084 -32.618 -39.834 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.809 -31.571 -41.213 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.490 -33.175 -42.415 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.293 -33.988 -40.939 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.755 -34.832 -40.639 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.311 -33.568 -39.515 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.315 -31.652 -41.591 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.272 -31.177 -40.229 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.808 -30.757 -41.895 1.00 25.00 H new ATOM 749 N GLN A 464 -19.848 -35.239 -42.866 1.00 25.00 N ATOM 750 CA GLN A 464 -20.282 -36.610 -43.147 1.00 25.00 C ATOM 751 C GLN A 464 -19.095 -37.575 -43.019 1.00 25.00 C ATOM 752 O GLN A 464 -19.270 -38.747 -42.686 1.00 25.00 O ATOM 753 CB GLN A 464 -20.990 -36.716 -44.500 1.00 25.00 C ATOM 754 CG GLN A 464 -20.103 -36.968 -45.710 1.00 25.00 C ATOM 755 CD GLN A 464 -20.906 -37.048 -46.985 1.00 25.00 C ATOM 756 OE1 GLN A 464 -20.679 -36.307 -47.930 1.00 25.00 O ATOM 757 NE2 GLN A 464 -21.856 -37.940 -47.012 1.00 25.00 N ATOM 0 H GLN A 464 -19.908 -34.592 -43.652 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.024 -36.901 -42.403 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.723 -37.521 -44.440 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.544 -35.793 -44.669 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -19.366 -36.169 -45.794 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -19.551 -37.897 -45.569 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -22.015 -38.541 -46.203 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -22.441 -38.038 -47.842 1.00 25.00 H new ATOM 766 N GLY A 465 -17.888 -37.070 -43.245 1.00 25.00 N ATOM 767 CA GLY A 465 -16.697 -37.866 -43.034 1.00 25.00 C ATOM 768 C GLY A 465 -16.463 -37.964 -41.543 1.00 25.00 C ATOM 769 O GLY A 465 -16.183 -39.039 -41.034 1.00 25.00 O ATOM 0 H GLY A 465 -17.714 -36.120 -43.572 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -16.820 -38.859 -43.467 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -15.839 -37.407 -43.526 1.00 25.00 H new ATOM 773 N ALA A 466 -16.604 -36.844 -40.841 1.00 25.00 N ATOM 774 CA ALA A 466 -16.416 -36.793 -39.387 1.00 25.00 C ATOM 775 C ALA A 466 -17.308 -37.819 -38.676 1.00 25.00 C ATOM 776 O ALA A 466 -16.889 -38.467 -37.730 1.00 25.00 O ATOM 777 CB ALA A 466 -16.708 -35.380 -38.862 1.00 25.00 C ATOM 0 H ALA A 466 -16.851 -35.947 -41.258 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.377 -37.043 -39.172 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.565 -35.356 -37.782 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.030 -34.669 -39.334 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.737 -35.110 -39.097 1.00 25.00 H new ATOM 783 N GLN A 467 -18.535 -37.969 -39.147 1.00 25.00 N ATOM 784 CA GLN A 467 -19.469 -38.936 -38.572 1.00 25.00 C ATOM 785 C GLN A 467 -18.955 -40.366 -38.734 1.00 25.00 C ATOM 786 O GLN A 467 -19.008 -41.172 -37.805 1.00 25.00 O ATOM 787 CB GLN A 467 -20.806 -38.833 -39.298 1.00 25.00 C ATOM 788 CG GLN A 467 -21.556 -37.510 -39.095 1.00 25.00 C ATOM 789 CD GLN A 467 -22.198 -37.371 -37.733 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.439 -38.342 -37.034 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.480 -36.151 -37.357 1.00 25.00 N ATOM 0 H GLN A 467 -18.913 -37.434 -39.929 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.576 -38.711 -37.511 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.634 -38.976 -40.365 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.446 -39.650 -38.966 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.861 -36.683 -39.244 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.327 -37.420 -39.860 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.263 -35.365 -37.970 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.917 -35.985 -36.451 1.00 25.00 H new ATOM 800 N ALA A 468 -18.466 -40.683 -39.925 1.00 25.00 N ATOM 801 CA ALA A 468 -17.987 -42.028 -40.216 1.00 25.00 C ATOM 802 C ALA A 468 -16.713 -42.338 -39.428 1.00 25.00 C ATOM 803 O ALA A 468 -16.573 -43.413 -38.841 1.00 25.00 O ATOM 804 CB ALA A 468 -17.736 -42.178 -41.723 1.00 25.00 C ATOM 0 H ALA A 468 -18.390 -40.029 -40.704 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.752 -42.742 -39.910 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.378 -43.186 -41.934 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.665 -42.002 -42.266 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -16.987 -41.453 -42.041 1.00 25.00 H new ATOM 810 N VAL A 469 -15.781 -41.395 -39.407 1.00 25.00 N ATOM 811 CA VAL A 469 -14.520 -41.610 -38.705 1.00 25.00 C ATOM 812 C VAL A 469 -14.742 -41.626 -37.205 1.00 25.00 C ATOM 813 O VAL A 469 -13.986 -42.250 -36.493 1.00 25.00 O ATOM 814 CB VAL A 469 -13.415 -40.573 -39.079 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.204 -40.553 -40.596 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.764 -39.187 -38.587 1.00 25.00 C ATOM 0 H VAL A 469 -15.870 -40.486 -39.860 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.152 -42.583 -39.031 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.491 -40.879 -38.588 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.431 -39.826 -40.846 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -12.895 -41.542 -40.933 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.136 -40.276 -41.089 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -12.972 -38.492 -38.866 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.703 -38.867 -39.038 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.869 -39.202 -37.502 1.00 25.00 H new ATOM 826 N ALA A 470 -15.776 -40.957 -36.712 1.00 25.00 N ATOM 827 CA ALA A 470 -16.052 -40.943 -35.273 1.00 25.00 C ATOM 828 C ALA A 470 -16.215 -42.362 -34.731 1.00 25.00 C ATOM 829 O ALA A 470 -15.834 -42.638 -33.591 1.00 25.00 O ATOM 830 CB ALA A 470 -17.303 -40.116 -34.967 1.00 25.00 C ATOM 0 H ALA A 470 -16.434 -40.420 -37.277 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.198 -40.481 -34.777 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.488 -40.120 -33.893 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.153 -39.091 -35.306 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.160 -40.547 -35.484 1.00 25.00 H new ATOM 836 N ALA A 471 -16.764 -43.261 -35.542 1.00 25.00 N ATOM 837 CA ALA A 471 -16.923 -44.657 -35.141 1.00 25.00 C ATOM 838 C ALA A 471 -15.547 -45.321 -35.002 1.00 25.00 C ATOM 839 O ALA A 471 -15.328 -46.141 -34.119 1.00 25.00 O ATOM 840 CB ALA A 471 -17.782 -45.402 -36.167 1.00 25.00 C ATOM 0 H ALA A 471 -17.106 -43.050 -36.479 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.426 -44.698 -34.175 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.895 -46.442 -35.860 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.764 -44.933 -36.229 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.299 -45.362 -37.143 1.00 25.00 H new ATOM 846 N ALA A 472 -14.621 -44.951 -35.872 1.00 25.00 N ATOM 847 CA ALA A 472 -13.257 -45.460 -35.809 1.00 25.00 C ATOM 848 C ALA A 472 -12.498 -44.843 -34.628 1.00 25.00 C ATOM 849 O ALA A 472 -11.649 -45.486 -34.032 1.00 25.00 O ATOM 850 CB ALA A 472 -12.520 -45.154 -37.125 1.00 25.00 C ATOM 0 H ALA A 472 -14.789 -44.296 -36.635 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.300 -46.539 -35.663 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.501 -45.538 -37.069 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.043 -45.631 -37.954 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.493 -44.076 -37.285 1.00 25.00 H new ATOM 856 N GLN A 473 -12.795 -43.595 -34.302 1.00 25.00 N ATOM 857 CA GLN A 473 -12.067 -42.892 -33.248 1.00 25.00 C ATOM 858 C GLN A 473 -12.421 -43.414 -31.872 1.00 25.00 C ATOM 859 O GLN A 473 -11.551 -43.673 -31.049 1.00 25.00 O ATOM 860 CB GLN A 473 -12.340 -41.382 -33.283 1.00 25.00 C ATOM 861 CG GLN A 473 -11.895 -40.665 -34.558 1.00 25.00 C ATOM 862 CD GLN A 473 -10.400 -40.444 -34.660 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.618 -40.929 -33.855 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.001 -39.714 -35.667 1.00 25.00 N ATOM 0 H GLN A 473 -13.531 -43.047 -34.747 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.010 -43.075 -33.440 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.410 -41.220 -33.150 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.839 -40.919 -32.433 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.224 -41.244 -35.420 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.398 -39.699 -34.612 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.684 -39.326 -36.318 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.007 -39.532 -35.802 1.00 25.00 H new ATOM 873 N ARG A 474 -13.710 -43.584 -31.623 1.00 25.00 N ATOM 874 CA ARG A 474 -14.167 -44.120 -30.336 1.00 25.00 C ATOM 875 C ARG A 474 -13.608 -45.534 -30.170 1.00 25.00 C ATOM 876 O ARG A 474 -13.374 -45.995 -29.061 1.00 25.00 O ATOM 877 CB ARG A 474 -15.703 -44.092 -30.252 1.00 25.00 C ATOM 878 CG ARG A 474 -16.401 -44.941 -31.302 1.00 25.00 C ATOM 879 CD ARG A 474 -17.887 -44.650 -31.410 1.00 25.00 C ATOM 880 NE ARG A 474 -18.170 -43.290 -31.902 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.383 -42.764 -32.042 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.474 -43.428 -31.746 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.502 -41.546 -32.488 1.00 25.00 N ATOM 0 H ARG A 474 -14.456 -43.364 -32.282 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.799 -43.500 -29.518 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -16.008 -44.434 -29.263 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.042 -43.061 -30.351 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.932 -44.769 -32.271 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.259 -45.995 -31.062 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.347 -45.376 -32.080 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.350 -44.781 -30.432 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.373 -42.706 -32.155 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.410 -44.383 -31.394 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.387 -42.989 -31.867 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.670 -41.006 -32.726 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.427 -41.132 -32.600 1.00 25.00 H new ATOM 897 N LEU A 475 -13.378 -46.198 -31.292 1.00 25.00 N ATOM 898 CA LEU A 475 -12.795 -47.528 -31.303 1.00 25.00 C ATOM 899 C LEU A 475 -11.289 -47.480 -31.009 1.00 25.00 C ATOM 900 O LEU A 475 -10.822 -48.181 -30.121 1.00 25.00 O ATOM 901 CB LEU A 475 -13.073 -48.180 -32.668 1.00 25.00 C ATOM 902 CG LEU A 475 -12.025 -49.136 -33.255 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.899 -50.411 -32.407 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.401 -49.505 -34.679 1.00 25.00 C ATOM 0 H LEU A 475 -13.590 -45.829 -32.219 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.252 -48.127 -30.515 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -14.012 -48.728 -32.588 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.232 -47.379 -33.391 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.062 -48.625 -33.251 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.150 -51.068 -32.848 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.598 -50.146 -31.394 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.860 -50.925 -32.377 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.653 -50.183 -35.089 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.375 -49.994 -34.683 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.445 -48.603 -35.289 1.00 25.00 H new ATOM 916 N VAL A 476 -10.521 -46.680 -31.741 1.00 25.00 N ATOM 917 CA VAL A 476 -9.063 -46.671 -31.561 1.00 25.00 C ATOM 918 C VAL A 476 -8.718 -46.201 -30.159 1.00 25.00 C ATOM 919 O VAL A 476 -7.771 -46.691 -29.536 1.00 25.00 O ATOM 920 CB VAL A 476 -8.320 -45.831 -32.658 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.648 -44.356 -32.581 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.809 -46.034 -32.553 1.00 25.00 C ATOM 0 H VAL A 476 -10.870 -46.038 -32.453 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.707 -47.694 -31.685 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.672 -46.193 -33.624 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.107 -43.822 -33.362 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.720 -44.214 -32.719 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.353 -43.968 -31.606 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.308 -45.444 -33.321 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.466 -45.714 -31.569 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.573 -47.089 -32.694 1.00 25.00 H new ATOM 932 N HIS A 477 -9.504 -45.271 -29.647 1.00 25.00 N ATOM 933 CA HIS A 477 -9.302 -44.770 -28.312 1.00 25.00 C ATOM 934 C HIS A 477 -9.509 -45.883 -27.295 1.00 25.00 C ATOM 935 O HIS A 477 -8.796 -45.945 -26.309 1.00 25.00 O ATOM 936 CB HIS A 477 -10.253 -43.611 -28.039 1.00 25.00 C ATOM 937 CG HIS A 477 -9.899 -42.834 -26.811 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.730 -41.946 -26.177 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.746 -42.814 -26.090 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.077 -41.443 -25.129 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.861 -41.941 -25.028 1.00 25.00 N ATOM 0 H HIS A 477 -10.290 -44.850 -30.143 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.278 -44.408 -28.222 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.253 -42.940 -28.898 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.267 -43.998 -27.936 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.866 -43.398 -26.316 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.493 -40.717 -24.447 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.159 -41.728 -24.320 1.00 25.00 H new ATOM 949 N ALA A 478 -10.464 -46.776 -27.536 1.00 25.00 N ATOM 950 CA ALA A 478 -10.717 -47.862 -26.598 1.00 25.00 C ATOM 951 C ALA A 478 -9.450 -48.703 -26.414 1.00 25.00 C ATOM 952 O ALA A 478 -9.081 -49.045 -25.296 1.00 25.00 O ATOM 953 CB ALA A 478 -11.881 -48.732 -27.086 1.00 25.00 C ATOM 0 H ALA A 478 -11.066 -46.770 -28.359 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.994 -47.437 -25.633 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.056 -49.538 -26.374 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.780 -48.122 -27.172 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.635 -49.155 -28.060 1.00 25.00 H new ATOM 959 N ILE A 479 -8.775 -49.026 -27.508 1.00 25.00 N ATOM 960 CA ILE A 479 -7.555 -49.829 -27.422 1.00 25.00 C ATOM 961 C ILE A 479 -6.435 -49.003 -26.814 1.00 25.00 C ATOM 962 O ILE A 479 -5.623 -49.521 -26.068 1.00 25.00 O ATOM 963 CB ILE A 479 -7.087 -50.342 -28.798 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.226 -51.085 -29.505 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.880 -51.301 -28.658 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.527 -50.483 -30.814 1.00 25.00 C ATOM 0 H ILE A 479 -9.042 -48.752 -28.453 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.790 -50.691 -26.797 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.787 -49.474 -29.385 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.953 -52.132 -29.638 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.119 -51.066 -28.880 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.573 -51.646 -29.645 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.051 -50.776 -28.183 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.165 -52.157 -28.047 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.339 -51.033 -31.289 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.825 -49.443 -30.677 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.640 -50.526 -31.447 1.00 25.00 H new ATOM 978 N ALA A 480 -6.400 -47.713 -27.114 1.00 25.00 N ATOM 979 CA ALA A 480 -5.363 -46.834 -26.580 1.00 25.00 C ATOM 980 C ALA A 480 -5.411 -46.843 -25.047 1.00 25.00 C ATOM 981 O ALA A 480 -4.401 -46.618 -24.376 1.00 25.00 O ATOM 982 CB ALA A 480 -5.540 -45.409 -27.124 1.00 25.00 C ATOM 0 H ALA A 480 -7.075 -47.250 -27.723 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.387 -47.199 -26.899 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.760 -44.765 -26.718 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.469 -45.423 -28.212 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.517 -45.026 -26.830 1.00 25.00 H new ATOM 988 N LEU A 481 -6.582 -47.112 -24.493 1.00 25.00 N ATOM 989 CA LEU A 481 -6.721 -47.202 -23.041 1.00 25.00 C ATOM 990 C LEU A 481 -6.189 -48.531 -22.577 1.00 25.00 C ATOM 991 O LEU A 481 -5.465 -48.604 -21.608 1.00 25.00 O ATOM 992 CB LEU A 481 -8.172 -47.046 -22.613 1.00 25.00 C ATOM 993 CG LEU A 481 -8.699 -45.687 -23.051 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.208 -45.745 -23.164 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.273 -44.569 -22.107 1.00 25.00 C ATOM 0 H LEU A 481 -7.443 -47.271 -25.016 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.151 -46.392 -22.586 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.777 -47.839 -23.053 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.254 -47.146 -21.531 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.266 -45.456 -24.024 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.587 -44.772 -23.478 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.489 -46.498 -23.900 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.636 -46.006 -22.196 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.674 -43.620 -22.463 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.655 -44.772 -21.107 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.185 -44.514 -22.076 1.00 25.00 H new ATOM 1007 N MET A 482 -6.532 -49.591 -23.283 1.00 25.00 N ATOM 1008 CA MET A 482 -6.058 -50.923 -22.918 1.00 25.00 C ATOM 1009 C MET A 482 -4.546 -50.999 -22.960 1.00 25.00 C ATOM 1010 O MET A 482 -3.931 -51.757 -22.214 1.00 25.00 O ATOM 1011 CB MET A 482 -6.633 -51.973 -23.866 1.00 25.00 C ATOM 1012 CG MET A 482 -8.121 -51.932 -23.884 1.00 25.00 C ATOM 1013 SD MET A 482 -8.887 -53.467 -24.435 1.00 25.00 S ATOM 1014 CE MET A 482 -8.736 -53.315 -26.214 1.00 25.00 C ATOM 0 H MET A 482 -7.132 -49.563 -24.107 1.00 25.00 H new ATOM 0 HA MET A 482 -6.395 -51.121 -21.900 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.251 -51.805 -24.873 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.299 -52.964 -23.560 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.480 -51.697 -22.882 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.445 -51.121 -24.537 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.120 -54.217 -26.690 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.309 -52.453 -26.555 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.687 -53.182 -26.480 1.00 25.00 H new ATOM 1024 N THR A 483 -3.939 -50.205 -23.825 1.00 25.00 N ATOM 1025 CA THR A 483 -2.485 -50.275 -23.997 1.00 25.00 C ATOM 1026 C THR A 483 -1.737 -49.581 -22.873 1.00 25.00 C ATOM 1027 O THR A 483 -0.539 -49.778 -22.711 1.00 25.00 O ATOM 1028 CB THR A 483 -2.047 -49.718 -25.358 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.583 -48.407 -25.551 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.566 -50.609 -26.469 1.00 25.00 C ATOM 0 H THR A 483 -4.411 -49.516 -24.411 1.00 25.00 H new ATOM 0 HA THR A 483 -2.224 -51.333 -23.961 1.00 25.00 H new ATOM 0 HB THR A 483 -0.958 -49.681 -25.379 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.100 -48.145 -24.761 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.252 -50.209 -27.433 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.165 -51.615 -26.346 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.655 -50.645 -26.428 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.450 -48.792 -22.084 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.860 -48.150 -20.915 1.00 25.00 C ATOM 1040 C GLN A 484 -2.389 -48.787 -19.623 1.00 25.00 C ATOM 1041 O GLN A 484 -1.650 -48.908 -18.656 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.070 -46.625 -20.941 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.516 -46.162 -20.981 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.641 -44.672 -21.182 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.287 -43.889 -20.322 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.136 -44.278 -22.325 1.00 25.00 N ATOM 0 H GLN A 484 -3.437 -48.580 -22.230 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.783 -48.314 -20.944 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.594 -46.196 -20.059 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.553 -46.220 -21.811 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.037 -46.679 -21.787 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.010 -46.442 -20.051 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.422 -44.966 -23.021 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.237 -43.282 -22.521 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.644 -49.222 -19.609 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.218 -49.870 -18.437 1.00 25.00 C ATOM 1057 C PHE A 485 -3.546 -51.212 -18.191 1.00 25.00 C ATOM 1058 O PHE A 485 -3.440 -51.653 -17.055 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.719 -50.072 -18.624 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.554 -48.983 -18.002 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.808 -47.780 -18.692 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.085 -49.151 -16.710 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.586 -46.754 -18.102 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.864 -48.132 -16.107 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.114 -46.932 -16.807 1.00 25.00 C ATOM 0 H PHE A 485 -4.284 -49.137 -20.398 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.051 -49.226 -17.573 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.940 -50.125 -19.690 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.005 -51.031 -18.191 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.404 -47.639 -19.684 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.897 -50.068 -16.171 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.774 -45.838 -18.643 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.265 -48.273 -15.114 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.708 -46.153 -16.352 1.00 25.00 H new