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 -162:sc= -0.102 (180deg=-0.349) USER MOD Single : A 433 MET CE :methyl -158:sc= -0.0727 (180deg=-0.73) USER MOD Single : A 434 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 436 GLN : amide:sc= 0.298 X(o=0.3,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.0441 X(o=-0.044,f=-0.17) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 477 HIS : no HD1:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -20.412 -30.536 -96.041 1.00 25.00 N ATOM 114 CA GLU A 419 -19.480 -29.696 -95.289 1.00 25.00 C ATOM 115 C GLU A 419 -20.102 -29.343 -93.944 1.00 25.00 C ATOM 116 O GLU A 419 -19.429 -29.317 -92.930 1.00 25.00 O ATOM 117 CB GLU A 419 -19.161 -28.424 -96.079 1.00 25.00 C ATOM 118 CG GLU A 419 -18.325 -28.696 -97.329 1.00 25.00 C ATOM 119 CD GLU A 419 -18.208 -27.478 -98.232 1.00 25.00 C ATOM 120 OE1 GLU A 419 -18.366 -27.646 -99.465 1.00 25.00 O ATOM 121 OE2 GLU A 419 -17.978 -26.362 -97.730 1.00 25.00 O ATOM 0 HA GLU A 419 -18.549 -30.239 -95.125 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -20.093 -27.939 -96.369 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -18.626 -27.726 -95.435 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -17.328 -29.020 -97.031 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -18.773 -29.517 -97.889 1.00 25.00 H new ATOM 128 N VAL A 420 -21.402 -29.090 -93.941 1.00 25.00 N ATOM 129 CA VAL A 420 -22.115 -28.767 -92.704 1.00 25.00 C ATOM 130 C VAL A 420 -22.216 -30.015 -91.816 1.00 25.00 C ATOM 131 O VAL A 420 -22.284 -29.918 -90.599 1.00 25.00 O ATOM 132 CB VAL A 420 -23.510 -28.153 -93.016 1.00 25.00 C ATOM 133 CG1 VAL A 420 -24.315 -27.875 -91.736 1.00 25.00 C ATOM 134 CG2 VAL A 420 -23.314 -26.832 -93.775 1.00 25.00 C ATOM 0 H VAL A 420 -21.988 -29.101 -94.776 1.00 25.00 H new ATOM 0 HA VAL A 420 -21.554 -28.013 -92.153 1.00 25.00 H new ATOM 0 HB VAL A 420 -24.067 -28.872 -93.616 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -25.282 -27.447 -92.000 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -24.467 -28.807 -91.192 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -23.767 -27.173 -91.107 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -24.286 -26.393 -93.999 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -22.737 -26.141 -93.160 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -22.779 -27.023 -94.706 1.00 25.00 H new ATOM 144 N SER A 421 -22.195 -31.193 -92.417 1.00 25.00 N ATOM 145 CA SER A 421 -22.227 -32.425 -91.631 1.00 25.00 C ATOM 146 C SER A 421 -20.943 -32.558 -90.812 1.00 25.00 C ATOM 147 O SER A 421 -20.975 -32.999 -89.669 1.00 25.00 O ATOM 148 CB SER A 421 -22.382 -33.639 -92.539 1.00 25.00 C ATOM 149 OG SER A 421 -23.585 -33.559 -93.291 1.00 25.00 O ATOM 0 H SER A 421 -22.157 -31.327 -93.427 1.00 25.00 H new ATOM 0 HA SER A 421 -23.083 -32.379 -90.958 1.00 25.00 H new ATOM 0 HB2 SER A 421 -21.529 -33.704 -93.215 1.00 25.00 H new ATOM 0 HB3 SER A 421 -22.383 -34.549 -91.939 1.00 25.00 H new ATOM 0 HG SER A 421 -23.663 -34.347 -93.868 1.00 25.00 H new ATOM 155 N ASP A 422 -19.819 -32.165 -91.395 1.00 25.00 N ATOM 156 CA ASP A 422 -18.536 -32.193 -90.685 1.00 25.00 C ATOM 157 C ASP A 422 -18.483 -31.024 -89.701 1.00 25.00 C ATOM 158 O ASP A 422 -17.910 -31.111 -88.625 1.00 25.00 O ATOM 159 CB ASP A 422 -17.384 -32.089 -91.683 1.00 25.00 C ATOM 160 CG ASP A 422 -16.040 -32.433 -91.063 1.00 25.00 C ATOM 161 OD1 ASP A 422 -15.039 -31.769 -91.409 1.00 25.00 O ATOM 162 OD2 ASP A 422 -15.979 -33.375 -90.244 1.00 25.00 O ATOM 0 H ASP A 422 -19.763 -31.823 -92.354 1.00 25.00 H new ATOM 0 HA ASP A 422 -18.441 -33.132 -90.140 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -17.574 -32.758 -92.523 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -17.346 -31.076 -92.084 1.00 25.00 H new ATOM 167 N MET A 423 -19.115 -29.924 -90.082 1.00 25.00 N ATOM 168 CA MET A 423 -19.175 -28.729 -89.239 1.00 25.00 C ATOM 169 C MET A 423 -19.907 -29.045 -87.940 1.00 25.00 C ATOM 170 O MET A 423 -19.580 -28.515 -86.889 1.00 25.00 O ATOM 171 CB MET A 423 -19.905 -27.614 -89.988 1.00 25.00 C ATOM 172 CG MET A 423 -19.666 -26.215 -89.461 1.00 25.00 C ATOM 173 SD MET A 423 -20.683 -24.996 -90.362 1.00 25.00 S ATOM 174 CE MET A 423 -20.066 -25.133 -92.077 1.00 25.00 C ATOM 0 H MET A 423 -19.598 -29.830 -90.975 1.00 25.00 H new ATOM 0 HA MET A 423 -18.162 -28.404 -89.003 1.00 25.00 H new ATOM 0 HB2 MET A 423 -19.605 -27.646 -91.035 1.00 25.00 H new ATOM 0 HB3 MET A 423 -20.975 -27.818 -89.957 1.00 25.00 H new ATOM 0 HG2 MET A 423 -19.903 -26.177 -88.398 1.00 25.00 H new ATOM 0 HG3 MET A 423 -18.611 -25.960 -89.562 1.00 25.00 H new ATOM 0 HE1 MET A 423 -20.362 -24.249 -92.642 1.00 25.00 H new ATOM 0 HE2 MET A 423 -18.979 -25.211 -92.067 1.00 25.00 H new ATOM 0 HE3 MET A 423 -20.489 -26.021 -92.546 1.00 25.00 H new ATOM 184 N ALA A 424 -20.890 -29.931 -88.013 1.00 25.00 N ATOM 185 CA ALA A 424 -21.648 -30.338 -86.837 1.00 25.00 C ATOM 186 C ALA A 424 -20.744 -31.057 -85.825 1.00 25.00 C ATOM 187 O ALA A 424 -20.983 -30.999 -84.623 1.00 25.00 O ATOM 188 CB ALA A 424 -22.810 -31.244 -87.255 1.00 25.00 C ATOM 0 H ALA A 424 -21.183 -30.384 -88.879 1.00 25.00 H new ATOM 0 HA ALA A 424 -22.048 -29.446 -86.356 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -23.373 -31.545 -86.371 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -23.466 -30.703 -87.936 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -22.419 -32.130 -87.755 1.00 25.00 H new ATOM 194 N ALA A 425 -19.702 -31.723 -86.307 1.00 25.00 N ATOM 195 CA ALA A 425 -18.762 -32.401 -85.419 1.00 25.00 C ATOM 196 C ALA A 425 -17.931 -31.346 -84.679 1.00 25.00 C ATOM 197 O ALA A 425 -17.617 -31.498 -83.500 1.00 25.00 O ATOM 198 CB ALA A 425 -17.853 -33.348 -86.224 1.00 25.00 C ATOM 0 H ALA A 425 -19.486 -31.809 -87.300 1.00 25.00 H new ATOM 0 HA ALA A 425 -19.309 -33.003 -84.693 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -17.158 -33.846 -85.549 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -18.464 -34.095 -86.731 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -17.293 -32.774 -86.963 1.00 25.00 H new ATOM 204 N VAL A 426 -17.594 -30.270 -85.378 1.00 25.00 N ATOM 205 CA VAL A 426 -16.841 -29.167 -84.783 1.00 25.00 C ATOM 206 C VAL A 426 -17.721 -28.469 -83.750 1.00 25.00 C ATOM 207 O VAL A 426 -17.273 -28.160 -82.650 1.00 25.00 O ATOM 208 CB VAL A 426 -16.388 -28.144 -85.869 1.00 25.00 C ATOM 209 CG1 VAL A 426 -15.545 -27.031 -85.248 1.00 25.00 C ATOM 210 CG2 VAL A 426 -15.586 -28.858 -86.973 1.00 25.00 C ATOM 0 H VAL A 426 -17.830 -30.135 -86.361 1.00 25.00 H new ATOM 0 HA VAL A 426 -15.946 -29.568 -84.307 1.00 25.00 H new ATOM 0 HB VAL A 426 -17.280 -27.698 -86.309 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -15.240 -26.329 -86.024 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -16.133 -26.506 -84.495 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -14.660 -27.463 -84.781 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -15.276 -28.132 -87.725 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -14.704 -29.327 -86.537 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -16.209 -29.620 -87.440 1.00 25.00 H new ATOM 220 N GLU A 427 -18.982 -28.239 -84.095 1.00 25.00 N ATOM 221 CA GLU A 427 -19.927 -27.617 -83.173 1.00 25.00 C ATOM 222 C GLU A 427 -20.071 -28.476 -81.924 1.00 25.00 C ATOM 223 O GLU A 427 -20.104 -27.959 -80.815 1.00 25.00 O ATOM 224 CB GLU A 427 -21.302 -27.459 -83.829 1.00 25.00 C ATOM 225 CG GLU A 427 -21.385 -26.344 -84.870 1.00 25.00 C ATOM 226 CD GLU A 427 -22.784 -26.216 -85.477 1.00 25.00 C ATOM 227 OE1 GLU A 427 -22.895 -25.738 -86.628 1.00 25.00 O ATOM 228 OE2 GLU A 427 -23.774 -26.583 -84.801 1.00 25.00 O ATOM 0 H GLU A 427 -19.375 -28.474 -85.007 1.00 25.00 H new ATOM 0 HA GLU A 427 -19.544 -26.632 -82.907 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -21.574 -28.402 -84.303 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -22.041 -27.268 -83.051 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -21.104 -25.398 -84.408 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -20.664 -26.537 -85.664 1.00 25.00 H new ATOM 235 N ALA A 428 -20.145 -29.788 -82.098 1.00 25.00 N ATOM 236 CA ALA A 428 -20.272 -30.696 -80.964 1.00 25.00 C ATOM 237 C ALA A 428 -19.044 -30.602 -80.054 1.00 25.00 C ATOM 238 O ALA A 428 -19.175 -30.633 -78.832 1.00 25.00 O ATOM 239 CB ALA A 428 -20.466 -32.135 -81.458 1.00 25.00 C ATOM 0 H ALA A 428 -20.120 -30.247 -83.009 1.00 25.00 H new ATOM 0 HA ALA A 428 -21.147 -30.404 -80.384 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -20.560 -32.804 -80.602 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -21.370 -32.193 -82.064 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -19.607 -32.432 -82.059 1.00 25.00 H new ATOM 245 N ALA A 429 -17.864 -30.476 -80.647 1.00 25.00 N ATOM 246 CA ALA A 429 -16.631 -30.365 -79.874 1.00 25.00 C ATOM 247 C ALA A 429 -16.622 -29.059 -79.072 1.00 25.00 C ATOM 248 O ALA A 429 -16.283 -29.047 -77.889 1.00 25.00 O ATOM 249 CB ALA A 429 -15.414 -30.434 -80.807 1.00 25.00 C ATOM 0 H ALA A 429 -17.733 -30.448 -81.658 1.00 25.00 H new ATOM 0 HA ALA A 429 -16.578 -31.199 -79.174 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -14.500 -30.350 -80.219 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -15.417 -31.385 -81.339 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -15.460 -29.616 -81.526 1.00 25.00 H new ATOM 255 N GLU A 430 -17.003 -27.965 -79.715 1.00 25.00 N ATOM 256 CA GLU A 430 -17.047 -26.658 -79.053 1.00 25.00 C ATOM 257 C GLU A 430 -18.037 -26.708 -77.904 1.00 25.00 C ATOM 258 O GLU A 430 -17.764 -26.247 -76.789 1.00 25.00 O ATOM 259 CB GLU A 430 -17.498 -25.576 -80.037 1.00 25.00 C ATOM 260 CG GLU A 430 -16.490 -25.256 -81.116 1.00 25.00 C ATOM 261 CD GLU A 430 -15.514 -24.166 -80.691 1.00 25.00 C ATOM 262 OE1 GLU A 430 -14.724 -24.399 -79.749 1.00 25.00 O ATOM 263 OE2 GLU A 430 -15.543 -23.068 -81.293 1.00 25.00 O ATOM 0 H GLU A 430 -17.287 -27.951 -80.694 1.00 25.00 H new ATOM 0 HA GLU A 430 -16.049 -26.421 -78.686 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -18.428 -25.895 -80.508 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -17.719 -24.665 -79.481 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -15.935 -26.159 -81.370 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -17.014 -24.940 -82.018 1.00 25.00 H new ATOM 270 N LEU A 431 -19.195 -27.282 -78.178 1.00 25.00 N ATOM 271 CA LEU A 431 -20.236 -27.401 -77.171 1.00 25.00 C ATOM 272 C LEU A 431 -19.791 -28.258 -75.999 1.00 25.00 C ATOM 273 O LEU A 431 -20.004 -27.873 -74.853 1.00 25.00 O ATOM 274 CB LEU A 431 -21.515 -27.990 -77.777 1.00 25.00 C ATOM 275 CG LEU A 431 -22.352 -27.026 -78.637 1.00 25.00 C ATOM 276 CD1 LEU A 431 -23.407 -27.814 -79.409 1.00 25.00 C ATOM 277 CD2 LEU A 431 -23.034 -25.953 -77.775 1.00 25.00 C ATOM 0 H LEU A 431 -19.439 -27.673 -79.088 1.00 25.00 H new ATOM 0 HA LEU A 431 -20.439 -26.395 -76.804 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -21.242 -28.850 -78.389 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -22.142 -28.361 -76.966 1.00 25.00 H new ATOM 0 HG LEU A 431 -21.681 -26.523 -79.333 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -23.999 -27.130 -80.017 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -22.917 -28.543 -80.055 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -24.060 -28.333 -78.707 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -23.617 -25.289 -78.414 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -23.694 -26.432 -77.052 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -22.276 -25.375 -77.247 1.00 25.00 H new ATOM 289 N GLU A 432 -19.187 -29.415 -76.238 1.00 25.00 N ATOM 290 CA GLU A 432 -18.797 -30.264 -75.115 1.00 25.00 C ATOM 291 C GLU A 432 -17.663 -29.633 -74.315 1.00 25.00 C ATOM 292 O GLU A 432 -17.612 -29.805 -73.099 1.00 25.00 O ATOM 293 CB GLU A 432 -18.462 -31.708 -75.528 1.00 25.00 C ATOM 294 CG GLU A 432 -17.107 -31.942 -76.179 1.00 25.00 C ATOM 295 CD GLU A 432 -16.699 -33.401 -76.093 1.00 25.00 C ATOM 296 OE1 GLU A 432 -17.428 -34.268 -76.619 1.00 25.00 O ATOM 297 OE2 GLU A 432 -15.647 -33.681 -75.475 1.00 25.00 O ATOM 0 H GLU A 432 -18.962 -29.780 -77.164 1.00 25.00 H new ATOM 0 HA GLU A 432 -19.672 -30.335 -74.469 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -18.525 -32.338 -74.641 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -19.233 -32.051 -76.218 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -17.145 -31.634 -77.224 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -16.355 -31.322 -75.691 1.00 25.00 H new ATOM 304 N MET A 433 -16.777 -28.885 -74.964 1.00 25.00 N ATOM 305 CA MET A 433 -15.711 -28.192 -74.242 1.00 25.00 C ATOM 306 C MET A 433 -16.336 -27.128 -73.362 1.00 25.00 C ATOM 307 O MET A 433 -15.974 -26.985 -72.197 1.00 25.00 O ATOM 308 CB MET A 433 -14.707 -27.545 -75.199 1.00 25.00 C ATOM 309 CG MET A 433 -13.688 -28.529 -75.736 1.00 25.00 C ATOM 310 SD MET A 433 -12.403 -27.741 -76.750 1.00 25.00 S ATOM 311 CE MET A 433 -13.320 -27.287 -78.264 1.00 25.00 C ATOM 0 H MET A 433 -16.773 -28.743 -75.974 1.00 25.00 H new ATOM 0 HA MET A 433 -15.168 -28.920 -73.640 1.00 25.00 H new ATOM 0 HB2 MET A 433 -15.245 -27.095 -76.033 1.00 25.00 H new ATOM 0 HB3 MET A 433 -14.188 -26.738 -74.682 1.00 25.00 H new ATOM 0 HG2 MET A 433 -13.217 -29.047 -74.901 1.00 25.00 H new ATOM 0 HG3 MET A 433 -14.200 -29.285 -76.332 1.00 25.00 H new ATOM 0 HE1 MET A 433 -12.620 -27.167 -79.091 1.00 25.00 H new ATOM 0 HE2 MET A 433 -14.036 -28.073 -78.505 1.00 25.00 H new ATOM 0 HE3 MET A 433 -13.852 -26.350 -78.100 1.00 25.00 H new ATOM 321 N THR A 434 -17.294 -26.393 -73.908 1.00 25.00 N ATOM 322 CA THR A 434 -17.998 -25.362 -73.148 1.00 25.00 C ATOM 323 C THR A 434 -18.727 -25.993 -71.962 1.00 25.00 C ATOM 324 O THR A 434 -18.735 -25.453 -70.862 1.00 25.00 O ATOM 325 CB THR A 434 -19.009 -24.605 -74.046 1.00 25.00 C ATOM 326 OG1 THR A 434 -18.327 -24.072 -75.182 1.00 25.00 O ATOM 327 CG2 THR A 434 -19.650 -23.441 -73.310 1.00 25.00 C ATOM 0 H THR A 434 -17.604 -26.489 -74.875 1.00 25.00 H new ATOM 0 HA THR A 434 -17.262 -24.647 -72.781 1.00 25.00 H new ATOM 0 HB THR A 434 -19.782 -25.316 -74.339 1.00 25.00 H new ATOM 0 HG1 THR A 434 -18.110 -24.798 -75.804 1.00 25.00 H new ATOM 0 HG21 THR A 434 -20.353 -22.935 -73.972 1.00 25.00 H new ATOM 0 HG22 THR A 434 -20.181 -23.813 -72.433 1.00 25.00 H new ATOM 0 HG23 THR A 434 -18.877 -22.739 -72.996 1.00 25.00 H new ATOM 335 N ARG A 435 -19.333 -27.153 -72.155 1.00 25.00 N ATOM 336 CA ARG A 435 -20.014 -27.815 -71.039 1.00 25.00 C ATOM 337 C ARG A 435 -19.003 -28.273 -70.012 1.00 25.00 C ATOM 338 O ARG A 435 -19.241 -28.169 -68.818 1.00 25.00 O ATOM 339 CB ARG A 435 -20.845 -29.002 -71.515 1.00 25.00 C ATOM 340 CG ARG A 435 -22.034 -28.564 -72.338 1.00 25.00 C ATOM 341 CD ARG A 435 -23.175 -29.558 -72.283 1.00 25.00 C ATOM 342 NE ARG A 435 -23.806 -29.580 -70.952 1.00 25.00 N ATOM 343 CZ ARG A 435 -24.918 -30.233 -70.642 1.00 25.00 C ATOM 344 NH1 ARG A 435 -25.588 -30.935 -71.524 1.00 25.00 N ATOM 345 NH2 ARG A 435 -25.362 -30.175 -69.418 1.00 25.00 N ATOM 0 H ARG A 435 -19.372 -27.650 -73.045 1.00 25.00 H new ATOM 0 HA ARG A 435 -20.691 -27.091 -70.585 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -20.219 -29.669 -72.108 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -21.191 -29.572 -70.653 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -22.383 -27.595 -71.980 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -21.724 -28.428 -73.374 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -23.920 -29.301 -73.036 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -22.804 -30.553 -72.528 1.00 25.00 H new ATOM 0 HE ARG A 435 -23.351 -29.050 -70.209 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -25.258 -30.993 -72.487 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -26.439 -31.423 -71.247 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -24.856 -29.634 -68.717 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -26.216 -30.671 -69.161 1.00 25.00 H new ATOM 359 N GLN A 436 -17.873 -28.766 -70.476 1.00 25.00 N ATOM 360 CA GLN A 436 -16.827 -29.239 -69.576 1.00 25.00 C ATOM 361 C GLN A 436 -16.289 -28.128 -68.681 1.00 25.00 C ATOM 362 O GLN A 436 -16.076 -28.348 -67.497 1.00 25.00 O ATOM 363 CB GLN A 436 -15.697 -29.889 -70.345 1.00 25.00 C ATOM 364 CG GLN A 436 -15.934 -31.370 -70.456 1.00 25.00 C ATOM 365 CD GLN A 436 -15.053 -32.005 -71.465 1.00 25.00 C ATOM 366 OE1 GLN A 436 -14.015 -32.559 -71.145 1.00 25.00 O ATOM 367 NE2 GLN A 436 -15.463 -31.943 -72.687 1.00 25.00 N ATOM 0 H GLN A 436 -17.650 -28.852 -71.468 1.00 25.00 H new ATOM 0 HA GLN A 436 -17.286 -29.987 -68.930 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -15.623 -29.449 -71.339 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -14.749 -29.701 -69.842 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -15.767 -31.837 -69.485 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -16.976 -31.550 -70.721 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -16.339 -31.469 -72.908 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -14.911 -32.368 -73.432 1.00 25.00 H new ATOM 376 N VAL A 437 -16.081 -26.938 -69.230 1.00 25.00 N ATOM 377 CA VAL A 437 -15.573 -25.810 -68.444 1.00 25.00 C ATOM 378 C VAL A 437 -16.633 -25.213 -67.521 1.00 25.00 C ATOM 379 O VAL A 437 -16.328 -24.743 -66.431 1.00 25.00 O ATOM 380 CB VAL A 437 -14.974 -24.689 -69.351 1.00 25.00 C ATOM 381 CG1 VAL A 437 -13.743 -25.226 -70.110 1.00 25.00 C ATOM 382 CG2 VAL A 437 -15.964 -24.127 -70.340 1.00 25.00 C ATOM 0 H VAL A 437 -16.254 -26.725 -70.212 1.00 25.00 H new ATOM 0 HA VAL A 437 -14.777 -26.221 -67.823 1.00 25.00 H new ATOM 0 HB VAL A 437 -14.690 -23.874 -68.685 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -13.332 -24.437 -70.740 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -12.987 -25.550 -69.395 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -14.039 -26.070 -70.732 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -15.482 -23.353 -70.938 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -16.317 -24.924 -70.995 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -16.810 -23.697 -69.804 1.00 25.00 H new ATOM 392 N LEU A 438 -17.881 -25.241 -67.956 1.00 25.00 N ATOM 393 CA LEU A 438 -18.989 -24.760 -67.127 1.00 25.00 C ATOM 394 C LEU A 438 -19.256 -25.696 -65.950 1.00 25.00 C ATOM 395 O LEU A 438 -19.550 -25.234 -64.849 1.00 25.00 O ATOM 396 CB LEU A 438 -20.270 -24.613 -67.955 1.00 25.00 C ATOM 397 CG LEU A 438 -20.318 -23.414 -68.920 1.00 25.00 C ATOM 398 CD1 LEU A 438 -21.579 -23.511 -69.777 1.00 25.00 C ATOM 399 CD2 LEU A 438 -20.300 -22.077 -68.173 1.00 25.00 C ATOM 0 H LEU A 438 -18.159 -25.589 -68.874 1.00 25.00 H new ATOM 0 HA LEU A 438 -18.695 -23.784 -66.740 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -20.411 -25.526 -68.534 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -21.115 -24.536 -67.270 1.00 25.00 H new ATOM 0 HG LEU A 438 -19.429 -23.449 -69.549 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -21.619 -22.665 -70.463 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -21.561 -24.440 -70.347 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -22.458 -23.498 -69.133 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -20.335 -21.258 -68.892 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -21.165 -22.018 -67.513 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -19.387 -22.002 -67.582 1.00 25.00 H new ATOM 720 N ALA A 462 -18.935 -32.205 -44.470 1.00 25.00 N ATOM 721 CA ALA A 462 -17.740 -32.555 -43.719 1.00 25.00 C ATOM 722 C ALA A 462 -18.106 -33.229 -42.393 1.00 25.00 C ATOM 723 O ALA A 462 -17.470 -34.201 -41.990 1.00 25.00 O ATOM 724 CB ALA A 462 -16.910 -31.304 -43.461 1.00 25.00 C ATOM 0 HA ALA A 462 -17.154 -33.261 -44.308 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.016 -31.571 -42.898 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.620 -30.857 -44.412 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.499 -30.588 -42.888 1.00 25.00 H new ATOM 730 N LEU A 463 -19.120 -32.714 -41.707 1.00 25.00 N ATOM 731 CA LEU A 463 -19.517 -33.277 -40.422 1.00 25.00 C ATOM 732 C LEU A 463 -20.049 -34.687 -40.596 1.00 25.00 C ATOM 733 O LEU A 463 -19.814 -35.524 -39.748 1.00 25.00 O ATOM 734 CB LEU A 463 -20.510 -32.362 -39.683 1.00 25.00 C ATOM 735 CG LEU A 463 -22.031 -32.594 -39.769 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.543 -33.671 -38.803 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.721 -31.293 -39.447 1.00 25.00 C ATOM 0 H LEU A 463 -19.677 -31.917 -42.015 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.631 -33.340 -39.790 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.244 -32.392 -38.627 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.324 -31.346 -40.030 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.251 -32.944 -40.778 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.621 -33.781 -38.919 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.056 -34.620 -39.025 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.316 -33.378 -37.778 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.801 -31.431 -39.501 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.446 -30.974 -38.442 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.416 -30.532 -40.165 1.00 25.00 H new ATOM 749 N GLN A 464 -20.741 -34.982 -41.688 1.00 25.00 N ATOM 750 CA GLN A 464 -21.184 -36.361 -41.915 1.00 25.00 C ATOM 751 C GLN A 464 -19.991 -37.311 -41.975 1.00 25.00 C ATOM 752 O GLN A 464 -20.055 -38.438 -41.479 1.00 25.00 O ATOM 753 CB GLN A 464 -22.021 -36.472 -43.184 1.00 25.00 C ATOM 754 CG GLN A 464 -23.360 -35.784 -43.052 1.00 25.00 C ATOM 755 CD GLN A 464 -24.304 -36.154 -44.158 1.00 25.00 C ATOM 756 OE1 GLN A 464 -24.053 -35.912 -45.326 1.00 25.00 O ATOM 757 NE2 GLN A 464 -25.394 -36.756 -43.792 1.00 25.00 N ATOM 0 H GLN A 464 -21.004 -34.314 -42.412 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.812 -36.649 -41.072 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.472 -36.035 -44.018 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -22.178 -37.524 -43.422 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.807 -36.046 -42.093 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -23.212 -34.704 -43.050 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -25.568 -36.941 -42.804 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -26.077 -37.045 -44.492 1.00 25.00 H new ATOM 766 N GLY A 465 -18.894 -36.841 -42.544 1.00 25.00 N ATOM 767 CA GLY A 465 -17.674 -37.620 -42.578 1.00 25.00 C ATOM 768 C GLY A 465 -17.161 -37.750 -41.162 1.00 25.00 C ATOM 769 O GLY A 465 -16.833 -38.838 -40.721 1.00 25.00 O ATOM 0 H GLY A 465 -18.826 -35.925 -42.987 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.863 -38.604 -43.006 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.930 -37.135 -43.210 1.00 25.00 H new ATOM 773 N ALA A 466 -17.122 -36.638 -40.439 1.00 25.00 N ATOM 774 CA ALA A 466 -16.660 -36.614 -39.049 1.00 25.00 C ATOM 775 C ALA A 466 -17.411 -37.622 -38.166 1.00 25.00 C ATOM 776 O ALA A 466 -16.824 -38.245 -37.296 1.00 25.00 O ATOM 777 CB ALA A 466 -16.810 -35.203 -38.473 1.00 25.00 C ATOM 0 H ALA A 466 -17.408 -35.726 -40.795 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.609 -36.904 -39.051 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.464 -35.193 -37.439 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.215 -34.505 -39.061 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.858 -34.905 -38.508 1.00 25.00 H new ATOM 783 N GLN A 467 -18.701 -37.791 -38.394 1.00 25.00 N ATOM 784 CA GLN A 467 -19.490 -38.750 -37.623 1.00 25.00 C ATOM 785 C GLN A 467 -19.145 -40.187 -38.008 1.00 25.00 C ATOM 786 O GLN A 467 -19.060 -41.067 -37.153 1.00 25.00 O ATOM 787 CB GLN A 467 -20.970 -38.530 -37.889 1.00 25.00 C ATOM 788 CG GLN A 467 -21.508 -37.167 -37.441 1.00 25.00 C ATOM 789 CD GLN A 467 -21.360 -36.908 -35.961 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.558 -37.782 -35.134 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.020 -35.690 -35.623 1.00 25.00 N ATOM 0 H GLN A 467 -19.228 -37.281 -39.103 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.260 -38.595 -36.569 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.154 -38.644 -38.957 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.536 -39.312 -37.383 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.987 -36.383 -37.991 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.562 -37.098 -37.709 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -20.863 -34.986 -36.344 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -20.912 -35.445 -34.639 1.00 25.00 H new ATOM 800 N ALA A 468 -18.956 -40.434 -39.297 1.00 25.00 N ATOM 801 CA ALA A 468 -18.634 -41.777 -39.767 1.00 25.00 C ATOM 802 C ALA A 468 -17.264 -42.199 -39.231 1.00 25.00 C ATOM 803 O ALA A 468 -17.087 -43.316 -38.740 1.00 25.00 O ATOM 804 CB ALA A 468 -18.651 -41.814 -41.303 1.00 25.00 C ATOM 0 H ALA A 468 -19.019 -39.729 -40.032 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.383 -42.478 -39.398 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.410 -42.820 -41.645 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.642 -41.536 -41.663 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.914 -41.112 -41.692 1.00 25.00 H new ATOM 810 N VAL A 469 -16.295 -41.298 -39.313 1.00 25.00 N ATOM 811 CA VAL A 469 -14.949 -41.590 -38.830 1.00 25.00 C ATOM 812 C VAL A 469 -14.938 -41.683 -37.312 1.00 25.00 C ATOM 813 O VAL A 469 -14.124 -42.399 -36.754 1.00 25.00 O ATOM 814 CB VAL A 469 -13.883 -40.559 -39.327 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.917 -40.459 -40.855 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.104 -39.192 -38.724 1.00 25.00 C ATOM 0 H VAL A 469 -16.412 -40.364 -39.706 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.667 -42.554 -39.252 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.905 -40.917 -39.004 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -13.171 -39.738 -41.189 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.699 -41.435 -41.288 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.906 -40.132 -41.176 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.344 -38.504 -39.094 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.092 -38.826 -39.005 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.037 -39.258 -37.638 1.00 25.00 H new ATOM 826 N ALA A 470 -15.840 -40.978 -36.638 1.00 25.00 N ATOM 827 CA ALA A 470 -15.902 -41.012 -35.172 1.00 25.00 C ATOM 828 C ALA A 470 -16.111 -42.435 -34.655 1.00 25.00 C ATOM 829 O ALA A 470 -15.658 -42.766 -33.562 1.00 25.00 O ATOM 830 CB ALA A 470 -17.008 -40.090 -34.646 1.00 25.00 C ATOM 0 H ALA A 470 -16.538 -40.377 -37.076 1.00 25.00 H new ATOM 0 HA ALA A 470 -14.943 -40.652 -34.799 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.032 -40.135 -33.557 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.810 -39.066 -34.963 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -17.970 -40.413 -35.043 1.00 25.00 H new ATOM 836 N ALA A 471 -16.772 -43.283 -35.432 1.00 25.00 N ATOM 837 CA ALA A 471 -16.960 -44.675 -35.036 1.00 25.00 C ATOM 838 C ALA A 471 -15.597 -45.383 -34.950 1.00 25.00 C ATOM 839 O ALA A 471 -15.375 -46.207 -34.070 1.00 25.00 O ATOM 840 CB ALA A 471 -17.881 -45.388 -36.031 1.00 25.00 C ATOM 0 H ALA A 471 -17.184 -43.036 -36.332 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.430 -44.707 -34.053 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.014 -46.426 -35.725 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.850 -44.889 -36.052 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.436 -45.357 -37.025 1.00 25.00 H new ATOM 846 N ALA A 472 -14.691 -45.046 -35.856 1.00 25.00 N ATOM 847 CA ALA A 472 -13.332 -45.579 -35.828 1.00 25.00 C ATOM 848 C ALA A 472 -12.511 -44.914 -34.713 1.00 25.00 C ATOM 849 O ALA A 472 -11.656 -45.544 -34.107 1.00 25.00 O ATOM 850 CB ALA A 472 -12.654 -45.371 -37.190 1.00 25.00 C ATOM 0 H ALA A 472 -14.872 -44.402 -36.626 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.384 -46.648 -35.622 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.641 -45.772 -37.157 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.224 -45.887 -37.963 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.615 -44.306 -37.418 1.00 25.00 H new ATOM 856 N GLN A 473 -12.764 -43.640 -34.451 1.00 25.00 N ATOM 857 CA GLN A 473 -11.998 -42.905 -33.444 1.00 25.00 C ATOM 858 C GLN A 473 -12.314 -43.384 -32.036 1.00 25.00 C ATOM 859 O GLN A 473 -11.421 -43.602 -31.226 1.00 25.00 O ATOM 860 CB GLN A 473 -12.285 -41.400 -33.516 1.00 25.00 C ATOM 861 CG GLN A 473 -11.953 -40.735 -34.852 1.00 25.00 C ATOM 862 CD GLN A 473 -10.469 -40.587 -35.112 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.641 -40.796 -34.243 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.132 -40.222 -36.322 1.00 25.00 N ATOM 0 H GLN A 473 -13.488 -43.093 -34.916 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.947 -43.093 -33.663 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.341 -41.237 -33.301 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.719 -40.901 -32.730 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.396 -41.320 -35.658 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.417 -39.749 -34.881 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.853 -40.056 -37.024 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.148 -40.104 -36.564 1.00 25.00 H new ATOM 873 N ARG A 474 -13.592 -43.561 -31.740 1.00 25.00 N ATOM 874 CA ARG A 474 -13.994 -44.057 -30.418 1.00 25.00 C ATOM 875 C ARG A 474 -13.438 -45.463 -30.227 1.00 25.00 C ATOM 876 O ARG A 474 -13.164 -45.891 -29.114 1.00 25.00 O ATOM 877 CB ARG A 474 -15.524 -44.044 -30.267 1.00 25.00 C ATOM 878 CG ARG A 474 -16.253 -45.040 -31.144 1.00 25.00 C ATOM 879 CD ARG A 474 -17.751 -44.882 -31.051 1.00 25.00 C ATOM 880 NE ARG A 474 -18.446 -45.936 -31.815 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.726 -47.158 -31.369 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.413 -47.558 -30.160 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.337 -47.995 -32.161 1.00 25.00 N ATOM 0 H ARG A 474 -14.363 -43.374 -32.381 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.588 -43.401 -29.648 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.775 -44.245 -29.226 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.890 -43.043 -30.495 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.938 -44.910 -32.179 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -15.976 -46.053 -30.851 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.060 -44.923 -30.006 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.041 -43.902 -31.431 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.736 -45.708 -32.766 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -17.936 -46.923 -29.520 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -18.647 -48.504 -29.859 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.593 -47.709 -33.106 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -19.559 -48.936 -31.835 1.00 25.00 H new ATOM 897 N LEU A 475 -13.265 -46.165 -31.336 1.00 25.00 N ATOM 898 CA LEU A 475 -12.715 -47.508 -31.330 1.00 25.00 C ATOM 899 C LEU A 475 -11.211 -47.478 -31.043 1.00 25.00 C ATOM 900 O LEU A 475 -10.752 -48.186 -30.159 1.00 25.00 O ATOM 901 CB LEU A 475 -13.013 -48.182 -32.682 1.00 25.00 C ATOM 902 CG LEU A 475 -11.962 -49.132 -33.276 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.834 -50.410 -32.434 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.332 -49.495 -34.700 1.00 25.00 C ATOM 0 H LEU A 475 -13.503 -45.818 -32.265 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.184 -48.088 -30.535 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.943 -48.741 -32.576 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.197 -47.394 -33.412 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.001 -48.617 -33.271 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.083 -51.064 -32.877 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.534 -50.149 -31.419 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.794 -50.925 -32.407 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.580 -50.169 -35.111 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.304 -49.988 -34.709 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.378 -48.590 -35.306 1.00 25.00 H new ATOM 916 N VAL A 476 -10.439 -46.679 -31.773 1.00 25.00 N ATOM 917 CA VAL A 476 -8.985 -46.672 -31.580 1.00 25.00 C ATOM 918 C VAL A 476 -8.663 -46.197 -30.169 1.00 25.00 C ATOM 919 O VAL A 476 -7.744 -46.699 -29.517 1.00 25.00 O ATOM 920 CB VAL A 476 -8.238 -45.843 -32.677 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.635 -44.388 -32.676 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.720 -45.982 -32.526 1.00 25.00 C ATOM 0 H VAL A 476 -10.782 -46.039 -32.490 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.616 -47.691 -31.694 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.539 -46.257 -33.639 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.086 -43.861 -33.456 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.705 -44.303 -32.864 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.401 -43.948 -31.707 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.222 -45.397 -33.299 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.417 -45.618 -31.544 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.439 -47.030 -32.627 1.00 25.00 H new ATOM 932 N HIS A 477 -9.449 -45.251 -29.686 1.00 25.00 N ATOM 933 CA HIS A 477 -9.290 -44.737 -28.351 1.00 25.00 C ATOM 934 C HIS A 477 -9.533 -45.835 -27.327 1.00 25.00 C ATOM 935 O HIS A 477 -8.864 -45.883 -26.311 1.00 25.00 O ATOM 936 CB HIS A 477 -10.267 -43.590 -28.133 1.00 25.00 C ATOM 937 CG HIS A 477 -10.021 -42.837 -26.866 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.990 -42.195 -26.134 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.867 -42.635 -26.176 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.409 -41.648 -25.068 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.114 -41.884 -25.046 1.00 25.00 N ATOM 0 H HIS A 477 -10.211 -44.823 -30.212 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.270 -44.373 -28.227 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.202 -42.901 -28.975 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.283 -43.984 -28.122 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.897 -43.009 -26.470 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.935 -41.081 -24.314 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.439 -41.578 -24.345 1.00 25.00 H new ATOM 949 N ALA A 478 -10.476 -46.729 -27.595 1.00 25.00 N ATOM 950 CA ALA A 478 -10.772 -47.799 -26.653 1.00 25.00 C ATOM 951 C ALA A 478 -9.529 -48.657 -26.415 1.00 25.00 C ATOM 952 O ALA A 478 -9.213 -48.992 -25.281 1.00 25.00 O ATOM 953 CB ALA A 478 -11.931 -48.658 -27.166 1.00 25.00 C ATOM 0 H ALA A 478 -11.041 -46.735 -28.444 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.070 -47.354 -25.704 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.139 -49.453 -26.450 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.819 -48.037 -27.287 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.661 -49.096 -28.127 1.00 25.00 H new ATOM 959 N ILE A 479 -8.814 -49.005 -27.477 1.00 25.00 N ATOM 960 CA ILE A 479 -7.621 -49.842 -27.330 1.00 25.00 C ATOM 961 C ILE A 479 -6.511 -49.041 -26.673 1.00 25.00 C ATOM 962 O ILE A 479 -5.741 -49.576 -25.894 1.00 25.00 O ATOM 963 CB ILE A 479 -7.100 -50.382 -28.679 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.226 -51.072 -29.453 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.951 -51.394 -28.463 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.443 -50.440 -30.766 1.00 25.00 C ATOM 0 H ILE A 479 -9.030 -48.729 -28.435 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.910 -50.694 -26.714 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.728 -49.532 -29.251 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.982 -52.125 -29.591 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.147 -51.031 -28.871 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.602 -51.759 -29.429 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.129 -50.905 -27.941 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.312 -52.232 -27.867 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.249 -50.955 -31.289 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.712 -49.393 -30.626 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.529 -50.504 -31.356 1.00 25.00 H new ATOM 978 N ALA A 480 -6.441 -47.752 -26.969 1.00 25.00 N ATOM 979 CA ALA A 480 -5.420 -46.888 -26.385 1.00 25.00 C ATOM 980 C ALA A 480 -5.544 -46.900 -24.852 1.00 25.00 C ATOM 981 O ALA A 480 -4.569 -46.691 -24.129 1.00 25.00 O ATOM 982 CB ALA A 480 -5.566 -45.459 -26.943 1.00 25.00 C ATOM 0 H ALA A 480 -7.078 -47.279 -27.610 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.430 -47.259 -26.650 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.802 -44.817 -26.504 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.446 -45.477 -28.026 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.553 -45.070 -26.694 1.00 25.00 H new ATOM 988 N LEU A 481 -6.745 -47.156 -24.359 1.00 25.00 N ATOM 989 CA LEU A 481 -6.965 -47.256 -22.913 1.00 25.00 C ATOM 990 C LEU A 481 -6.533 -48.614 -22.422 1.00 25.00 C ATOM 991 O LEU A 481 -5.903 -48.741 -21.390 1.00 25.00 O ATOM 992 CB LEU A 481 -8.424 -47.024 -22.560 1.00 25.00 C ATOM 993 CG LEU A 481 -8.858 -45.647 -23.037 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.360 -45.638 -23.238 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.437 -44.540 -22.077 1.00 25.00 C ATOM 0 H LEU A 481 -7.580 -47.298 -24.927 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.370 -46.483 -22.426 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.046 -47.791 -23.022 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.564 -47.106 -21.482 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.357 -45.444 -23.983 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.675 -44.652 -23.580 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.632 -46.385 -23.984 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.855 -45.870 -22.295 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.771 -43.577 -22.463 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.887 -44.715 -21.100 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.351 -44.536 -21.980 1.00 25.00 H new ATOM 1007 N MET A 482 -6.864 -49.642 -23.178 1.00 25.00 N ATOM 1008 CA MET A 482 -6.497 -51.002 -22.798 1.00 25.00 C ATOM 1009 C MET A 482 -5.008 -51.182 -22.736 1.00 25.00 C ATOM 1010 O MET A 482 -4.511 -52.024 -22.000 1.00 25.00 O ATOM 1011 CB MET A 482 -7.064 -52.009 -23.789 1.00 25.00 C ATOM 1012 CG MET A 482 -8.529 -51.907 -23.842 1.00 25.00 C ATOM 1013 SD MET A 482 -9.357 -53.397 -24.428 1.00 25.00 S ATOM 1014 CE MET A 482 -9.117 -53.253 -26.200 1.00 25.00 C ATOM 0 H MET A 482 -7.382 -49.569 -24.053 1.00 25.00 H new ATOM 0 HA MET A 482 -6.916 -51.174 -21.807 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.645 -51.830 -24.779 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.774 -53.018 -23.498 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.901 -51.667 -22.846 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.800 -51.075 -24.492 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.576 -54.106 -26.700 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.578 -52.332 -26.556 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.050 -53.234 -26.422 1.00 25.00 H new ATOM 1024 N THR A 483 -4.281 -50.397 -23.505 1.00 25.00 N ATOM 1025 CA THR A 483 -2.835 -50.582 -23.544 1.00 25.00 C ATOM 1026 C THR A 483 -2.196 -49.943 -22.323 1.00 25.00 C ATOM 1027 O THR A 483 -1.237 -50.477 -21.766 1.00 25.00 O ATOM 1028 CB THR A 483 -2.242 -50.038 -24.844 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.670 -48.691 -25.036 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.728 -50.875 -26.026 1.00 25.00 C ATOM 0 H THR A 483 -4.646 -49.649 -24.094 1.00 25.00 H new ATOM 0 HA THR A 483 -2.619 -51.650 -23.521 1.00 25.00 H new ATOM 0 HB THR A 483 -1.155 -50.082 -24.781 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.289 -48.342 -25.869 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.302 -50.482 -26.949 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.413 -51.910 -25.893 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.816 -50.830 -26.081 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.734 -48.816 -21.877 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.207 -48.169 -20.681 1.00 25.00 C ATOM 1040 C GLN A 484 -2.732 -48.848 -19.413 1.00 25.00 C ATOM 1041 O GLN A 484 -2.045 -48.856 -18.401 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.492 -46.657 -20.684 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.957 -46.272 -20.671 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.163 -44.793 -20.875 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.113 -44.014 -19.940 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.401 -44.400 -22.098 1.00 25.00 N ATOM 0 H GLN A 484 -3.521 -48.337 -22.315 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.123 -48.285 -20.688 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.009 -46.212 -19.814 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.026 -46.218 -21.567 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.481 -46.821 -21.453 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.400 -46.570 -19.721 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.435 -45.082 -22.855 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.553 -43.411 -22.295 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.925 -49.436 -19.457 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.457 -50.136 -18.301 1.00 25.00 C ATOM 1057 C PHE A 485 -3.836 -51.523 -18.172 1.00 25.00 C ATOM 1058 O PHE A 485 -3.656 -52.029 -17.068 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.974 -50.254 -18.411 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.717 -49.133 -17.729 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.892 -47.887 -18.364 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.237 -49.316 -16.433 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.581 -46.832 -17.716 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.929 -48.267 -15.775 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.099 -47.024 -16.419 1.00 25.00 C ATOM 0 H PHE A 485 -4.534 -49.440 -20.275 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.206 -49.562 -17.409 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.253 -50.276 -19.464 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.289 -51.204 -17.978 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.496 -47.734 -19.357 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.107 -50.265 -15.935 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.709 -45.883 -18.215 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.325 -48.420 -14.782 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.624 -46.222 -15.921 1.00 25.00 H new