USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 330 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 423 MET CE :methyl -155:sc= -0.287 (180deg=-0.503) USER MOD Single : A 433 MET CE :methyl -122:sc= -0.0157 (180deg=-1.06) USER MOD Single : A 434 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.14) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 477 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.0041) USER MOD Single : A 482 MET CE :methyl 176:sc=-0.00573 (180deg=-0.0277) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.23 X(o=0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -10.920 -38.110 -88.932 1.00 25.00 N ATOM 114 CA GLU A 419 -10.017 -37.899 -87.803 1.00 25.00 C ATOM 115 C GLU A 419 -10.808 -37.650 -86.525 1.00 25.00 C ATOM 116 O GLU A 419 -10.390 -38.038 -85.455 1.00 25.00 O ATOM 117 CB GLU A 419 -9.123 -36.693 -88.088 1.00 25.00 C ATOM 118 CG GLU A 419 -8.213 -36.842 -89.317 1.00 25.00 C ATOM 119 CD GLU A 419 -6.795 -37.247 -88.974 1.00 25.00 C ATOM 120 OE1 GLU A 419 -6.590 -38.353 -88.443 1.00 25.00 O ATOM 121 OE2 GLU A 419 -5.873 -36.447 -89.257 1.00 25.00 O ATOM 0 HA GLU A 419 -9.407 -38.792 -87.670 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -9.754 -35.815 -88.225 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -8.501 -36.505 -87.213 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -8.642 -37.585 -89.989 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -8.191 -35.897 -89.860 1.00 25.00 H new ATOM 128 N VAL A 420 -11.967 -37.012 -86.639 1.00 25.00 N ATOM 129 CA VAL A 420 -12.819 -36.749 -85.471 1.00 25.00 C ATOM 130 C VAL A 420 -13.281 -38.065 -84.824 1.00 25.00 C ATOM 131 O VAL A 420 -13.477 -38.130 -83.613 1.00 25.00 O ATOM 132 CB VAL A 420 -14.038 -35.842 -85.857 1.00 25.00 C ATOM 133 CG1 VAL A 420 -15.078 -35.766 -84.728 1.00 25.00 C ATOM 134 CG2 VAL A 420 -13.556 -34.414 -86.152 1.00 25.00 C ATOM 0 H VAL A 420 -12.343 -36.666 -87.522 1.00 25.00 H new ATOM 0 HA VAL A 420 -12.227 -36.207 -84.734 1.00 25.00 H new ATOM 0 HB VAL A 420 -14.501 -36.289 -86.737 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -15.905 -35.128 -85.038 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -15.453 -36.766 -84.511 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -14.614 -35.350 -83.833 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -14.409 -33.790 -86.419 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -13.070 -34.004 -85.267 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -12.847 -34.433 -86.979 1.00 25.00 H new ATOM 144 N SER A 421 -13.429 -39.124 -85.606 1.00 25.00 N ATOM 145 CA SER A 421 -13.854 -40.406 -85.040 1.00 25.00 C ATOM 146 C SER A 421 -12.777 -40.947 -84.105 1.00 25.00 C ATOM 147 O SER A 421 -13.074 -41.470 -83.038 1.00 25.00 O ATOM 148 CB SER A 421 -14.114 -41.422 -86.150 1.00 25.00 C ATOM 149 OG SER A 421 -15.078 -40.925 -87.066 1.00 25.00 O ATOM 0 H SER A 421 -13.267 -39.129 -86.613 1.00 25.00 H new ATOM 0 HA SER A 421 -14.776 -40.245 -84.481 1.00 25.00 H new ATOM 0 HB2 SER A 421 -13.184 -41.641 -86.675 1.00 25.00 H new ATOM 0 HB3 SER A 421 -14.464 -42.359 -85.718 1.00 25.00 H new ATOM 0 HG SER A 421 -15.231 -41.588 -87.771 1.00 25.00 H new ATOM 155 N ASP A 422 -11.528 -40.801 -84.514 1.00 25.00 N ATOM 156 CA ASP A 422 -10.394 -41.242 -83.703 1.00 25.00 C ATOM 157 C ASP A 422 -10.164 -40.253 -82.562 1.00 25.00 C ATOM 158 O ASP A 422 -9.746 -40.625 -81.471 1.00 25.00 O ATOM 159 CB ASP A 422 -9.148 -41.344 -84.581 1.00 25.00 C ATOM 160 CG ASP A 422 -9.197 -42.544 -85.513 1.00 25.00 C ATOM 161 OD1 ASP A 422 -9.222 -43.689 -85.009 1.00 25.00 O ATOM 162 OD2 ASP A 422 -9.222 -42.345 -86.748 1.00 25.00 O ATOM 0 H ASP A 422 -11.268 -40.379 -85.406 1.00 25.00 H new ATOM 0 HA ASP A 422 -10.606 -42.223 -83.278 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -9.046 -40.433 -85.170 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -8.264 -41.415 -83.947 1.00 25.00 H new ATOM 167 N MET A 423 -10.458 -38.987 -82.821 1.00 25.00 N ATOM 168 CA MET A 423 -10.311 -37.916 -81.832 1.00 25.00 C ATOM 169 C MET A 423 -11.217 -38.175 -80.638 1.00 25.00 C ATOM 170 O MET A 423 -10.840 -37.928 -79.504 1.00 25.00 O ATOM 171 CB MET A 423 -10.677 -36.575 -82.478 1.00 25.00 C ATOM 172 CG MET A 423 -10.218 -35.338 -81.728 1.00 25.00 C ATOM 173 SD MET A 423 -10.881 -33.810 -82.494 1.00 25.00 S ATOM 174 CE MET A 423 -10.224 -33.878 -84.200 1.00 25.00 C ATOM 0 H MET A 423 -10.807 -38.667 -83.725 1.00 25.00 H new ATOM 0 HA MET A 423 -9.277 -37.887 -81.488 1.00 25.00 H new ATOM 0 HB2 MET A 423 -10.252 -36.548 -83.482 1.00 25.00 H new ATOM 0 HB3 MET A 423 -11.760 -36.529 -82.589 1.00 25.00 H new ATOM 0 HG2 MET A 423 -10.544 -35.398 -80.690 1.00 25.00 H new ATOM 0 HG3 MET A 423 -9.129 -35.299 -81.718 1.00 25.00 H new ATOM 0 HE1 MET A 423 -10.164 -32.869 -84.607 1.00 25.00 H new ATOM 0 HE2 MET A 423 -9.230 -34.325 -84.189 1.00 25.00 H new ATOM 0 HE3 MET A 423 -10.886 -34.481 -84.821 1.00 25.00 H new ATOM 184 N ALA A 424 -12.407 -38.693 -80.896 1.00 25.00 N ATOM 185 CA ALA A 424 -13.362 -39.002 -79.838 1.00 25.00 C ATOM 186 C ALA A 424 -12.800 -40.056 -78.877 1.00 25.00 C ATOM 187 O ALA A 424 -13.097 -40.051 -77.682 1.00 25.00 O ATOM 188 CB ALA A 424 -14.677 -39.486 -80.456 1.00 25.00 C ATOM 0 H ALA A 424 -12.739 -38.911 -81.836 1.00 25.00 H new ATOM 0 HA ALA A 424 -13.548 -38.095 -79.263 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -15.389 -39.716 -79.663 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -15.087 -38.705 -81.096 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -14.492 -40.382 -81.049 1.00 25.00 H new ATOM 194 N ALA A 425 -11.978 -40.958 -79.397 1.00 25.00 N ATOM 195 CA ALA A 425 -11.360 -41.979 -78.560 1.00 25.00 C ATOM 196 C ALA A 425 -10.297 -41.328 -77.668 1.00 25.00 C ATOM 197 O ALA A 425 -10.123 -41.715 -76.516 1.00 25.00 O ATOM 198 CB ALA A 425 -10.739 -43.085 -79.434 1.00 25.00 C ATOM 0 H ALA A 425 -11.725 -41.004 -80.384 1.00 25.00 H new ATOM 0 HA ALA A 425 -12.120 -42.439 -77.928 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -10.281 -43.840 -78.795 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -11.516 -43.547 -80.042 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -9.979 -42.651 -80.084 1.00 25.00 H new ATOM 204 N VAL A 426 -9.598 -40.333 -78.199 1.00 25.00 N ATOM 205 CA VAL A 426 -8.580 -39.610 -77.433 1.00 25.00 C ATOM 206 C VAL A 426 -9.267 -38.819 -76.325 1.00 25.00 C ATOM 207 O VAL A 426 -8.812 -38.822 -75.184 1.00 25.00 O ATOM 208 CB VAL A 426 -7.759 -38.642 -78.341 1.00 25.00 C ATOM 209 CG1 VAL A 426 -6.689 -37.905 -77.528 1.00 25.00 C ATOM 210 CG2 VAL A 426 -7.088 -39.423 -79.481 1.00 25.00 C ATOM 0 H VAL A 426 -9.714 -40.005 -79.158 1.00 25.00 H new ATOM 0 HA VAL A 426 -7.885 -40.334 -77.009 1.00 25.00 H new ATOM 0 HB VAL A 426 -8.448 -37.909 -78.760 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -6.130 -37.237 -78.183 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -7.167 -37.324 -76.739 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -6.007 -38.630 -77.082 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -6.519 -38.736 -80.107 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -6.417 -40.173 -79.062 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -7.851 -39.915 -80.084 1.00 25.00 H new ATOM 220 N GLU A 427 -10.370 -38.158 -76.655 1.00 25.00 N ATOM 221 CA GLU A 427 -11.133 -37.382 -75.674 1.00 25.00 C ATOM 222 C GLU A 427 -11.584 -38.296 -74.535 1.00 25.00 C ATOM 223 O GLU A 427 -11.462 -37.955 -73.362 1.00 25.00 O ATOM 224 CB GLU A 427 -12.364 -36.746 -76.334 1.00 25.00 C ATOM 225 CG GLU A 427 -12.052 -35.593 -77.293 1.00 25.00 C ATOM 226 CD GLU A 427 -13.320 -35.014 -77.931 1.00 25.00 C ATOM 227 OE1 GLU A 427 -13.510 -33.777 -77.877 1.00 25.00 O ATOM 228 OE2 GLU A 427 -14.124 -35.793 -78.496 1.00 25.00 O ATOM 0 H GLU A 427 -10.761 -38.142 -77.597 1.00 25.00 H new ATOM 0 HA GLU A 427 -10.494 -36.591 -75.281 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -12.906 -37.518 -76.880 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -13.030 -36.381 -75.553 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -11.526 -34.805 -76.753 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -11.381 -35.945 -78.076 1.00 25.00 H new ATOM 235 N ALA A 428 -12.096 -39.472 -74.873 1.00 25.00 N ATOM 236 CA ALA A 428 -12.549 -40.416 -73.858 1.00 25.00 C ATOM 237 C ALA A 428 -11.380 -40.878 -72.973 1.00 25.00 C ATOM 238 O ALA A 428 -11.519 -41.004 -71.749 1.00 25.00 O ATOM 239 CB ALA A 428 -13.222 -41.620 -74.533 1.00 25.00 C ATOM 0 H ALA A 428 -12.208 -39.794 -75.834 1.00 25.00 H new ATOM 0 HA ALA A 428 -13.274 -39.915 -73.217 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -13.559 -42.323 -73.771 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -14.078 -41.279 -75.116 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -12.508 -42.114 -75.192 1.00 25.00 H new ATOM 245 N ALA A 429 -10.237 -41.129 -73.596 1.00 25.00 N ATOM 246 CA ALA A 429 -9.056 -41.608 -72.885 1.00 25.00 C ATOM 247 C ALA A 429 -8.501 -40.562 -71.916 1.00 25.00 C ATOM 248 O ALA A 429 -8.161 -40.880 -70.774 1.00 25.00 O ATOM 249 CB ALA A 429 -7.975 -42.011 -73.897 1.00 25.00 C ATOM 0 H ALA A 429 -10.101 -41.008 -74.600 1.00 25.00 H new ATOM 0 HA ALA A 429 -9.354 -42.473 -72.292 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -7.094 -42.369 -73.365 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -8.357 -42.804 -74.541 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -7.706 -41.147 -74.505 1.00 25.00 H new ATOM 255 N GLU A 430 -8.394 -39.316 -72.358 1.00 25.00 N ATOM 256 CA GLU A 430 -7.843 -38.286 -71.485 1.00 25.00 C ATOM 257 C GLU A 430 -8.829 -37.978 -70.364 1.00 25.00 C ATOM 258 O GLU A 430 -8.427 -37.672 -69.236 1.00 25.00 O ATOM 259 CB GLU A 430 -7.432 -37.021 -72.253 1.00 25.00 C ATOM 260 CG GLU A 430 -8.572 -36.196 -72.833 1.00 25.00 C ATOM 261 CD GLU A 430 -8.077 -34.959 -73.578 1.00 25.00 C ATOM 262 OE1 GLU A 430 -6.843 -34.802 -73.751 1.00 25.00 O ATOM 263 OE2 GLU A 430 -8.924 -34.136 -73.983 1.00 25.00 O ATOM 0 H GLU A 430 -8.672 -38.999 -73.287 1.00 25.00 H new ATOM 0 HA GLU A 430 -6.924 -38.673 -71.044 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -6.853 -36.385 -71.584 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -6.769 -37.313 -73.068 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -9.156 -36.816 -73.513 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -9.240 -35.889 -72.028 1.00 25.00 H new ATOM 270 N LEU A 431 -10.119 -38.085 -70.647 1.00 25.00 N ATOM 271 CA LEU A 431 -11.122 -37.855 -69.621 1.00 25.00 C ATOM 272 C LEU A 431 -10.970 -38.878 -68.508 1.00 25.00 C ATOM 273 O LEU A 431 -11.003 -38.520 -67.335 1.00 25.00 O ATOM 274 CB LEU A 431 -12.535 -37.938 -70.208 1.00 25.00 C ATOM 275 CG LEU A 431 -13.070 -36.663 -70.878 1.00 25.00 C ATOM 276 CD1 LEU A 431 -14.334 -36.997 -71.668 1.00 25.00 C ATOM 277 CD2 LEU A 431 -13.384 -35.578 -69.837 1.00 25.00 C ATOM 0 H LEU A 431 -10.491 -38.326 -71.566 1.00 25.00 H new ATOM 0 HA LEU A 431 -10.973 -36.853 -69.218 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -12.554 -38.744 -70.942 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -13.221 -38.218 -69.409 1.00 25.00 H new ATOM 0 HG LEU A 431 -12.302 -36.278 -71.549 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -14.715 -36.093 -72.144 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -14.100 -37.739 -72.432 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -15.090 -37.398 -70.993 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -13.761 -34.688 -70.341 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -14.138 -35.948 -69.142 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -12.476 -35.327 -69.288 1.00 25.00 H new ATOM 289 N GLU A 432 -10.812 -40.150 -68.841 1.00 25.00 N ATOM 290 CA GLU A 432 -10.703 -41.150 -67.784 1.00 25.00 C ATOM 291 C GLU A 432 -9.357 -41.112 -67.063 1.00 25.00 C ATOM 292 O GLU A 432 -9.315 -41.321 -65.850 1.00 25.00 O ATOM 293 CB GLU A 432 -11.039 -42.566 -68.272 1.00 25.00 C ATOM 294 CG GLU A 432 -10.027 -43.221 -69.203 1.00 25.00 C ATOM 295 CD GLU A 432 -10.406 -44.658 -69.530 1.00 25.00 C ATOM 296 OE1 GLU A 432 -11.358 -45.182 -68.905 1.00 25.00 O ATOM 297 OE2 GLU A 432 -9.749 -45.267 -70.399 1.00 25.00 O ATOM 0 H GLU A 432 -10.758 -40.507 -69.795 1.00 25.00 H new ATOM 0 HA GLU A 432 -11.460 -40.876 -67.049 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -11.165 -43.207 -67.399 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -12.001 -42.532 -68.783 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -9.956 -42.645 -70.126 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -9.041 -43.202 -68.739 1.00 25.00 H new ATOM 304 N MET A 433 -8.260 -40.836 -67.760 1.00 25.00 N ATOM 305 CA MET A 433 -6.964 -40.801 -67.080 1.00 25.00 C ATOM 306 C MET A 433 -6.931 -39.671 -66.073 1.00 25.00 C ATOM 307 O MET A 433 -6.350 -39.805 -64.997 1.00 25.00 O ATOM 308 CB MET A 433 -5.775 -40.695 -68.050 1.00 25.00 C ATOM 309 CG MET A 433 -5.537 -39.349 -68.696 1.00 25.00 C ATOM 310 SD MET A 433 -4.073 -39.376 -69.770 1.00 25.00 S ATOM 311 CE MET A 433 -4.629 -40.368 -71.210 1.00 25.00 C ATOM 0 H MET A 433 -8.235 -40.639 -68.761 1.00 25.00 H new ATOM 0 HA MET A 433 -6.855 -41.754 -66.562 1.00 25.00 H new ATOM 0 HB2 MET A 433 -4.871 -40.977 -67.510 1.00 25.00 H new ATOM 0 HB3 MET A 433 -5.916 -41.431 -68.842 1.00 25.00 H new ATOM 0 HG2 MET A 433 -6.413 -39.064 -69.280 1.00 25.00 H new ATOM 0 HG3 MET A 433 -5.409 -38.591 -67.923 1.00 25.00 H new ATOM 0 HE1 MET A 433 -3.974 -41.231 -71.332 1.00 25.00 H new ATOM 0 HE2 MET A 433 -5.651 -40.709 -71.044 1.00 25.00 H new ATOM 0 HE3 MET A 433 -4.593 -39.755 -72.110 1.00 25.00 H new ATOM 321 N THR A 434 -7.569 -38.559 -66.402 1.00 25.00 N ATOM 322 CA THR A 434 -7.587 -37.419 -65.506 1.00 25.00 C ATOM 323 C THR A 434 -8.392 -37.756 -64.255 1.00 25.00 C ATOM 324 O THR A 434 -8.029 -37.365 -63.151 1.00 25.00 O ATOM 325 CB THR A 434 -8.164 -36.172 -66.207 1.00 25.00 C ATOM 326 OG1 THR A 434 -7.440 -35.941 -67.414 1.00 25.00 O ATOM 327 CG2 THR A 434 -8.007 -34.942 -65.347 1.00 25.00 C ATOM 0 H THR A 434 -8.077 -38.424 -67.276 1.00 25.00 H new ATOM 0 HA THR A 434 -6.562 -37.190 -65.215 1.00 25.00 H new ATOM 0 HB THR A 434 -9.222 -36.353 -66.398 1.00 25.00 H new ATOM 0 HG1 THR A 434 -7.682 -36.622 -68.076 1.00 25.00 H new ATOM 0 HG21 THR A 434 -8.423 -34.079 -65.867 1.00 25.00 H new ATOM 0 HG22 THR A 434 -8.535 -35.087 -64.405 1.00 25.00 H new ATOM 0 HG23 THR A 434 -6.949 -34.770 -65.147 1.00 25.00 H new ATOM 335 N ARG A 435 -9.475 -38.506 -64.404 1.00 25.00 N ATOM 336 CA ARG A 435 -10.275 -38.896 -63.238 1.00 25.00 C ATOM 337 C ARG A 435 -9.444 -39.784 -62.349 1.00 25.00 C ATOM 338 O ARG A 435 -9.427 -39.626 -61.135 1.00 25.00 O ATOM 339 CB ARG A 435 -11.531 -39.662 -63.651 1.00 25.00 C ATOM 340 CG ARG A 435 -12.522 -38.804 -64.366 1.00 25.00 C ATOM 341 CD ARG A 435 -13.793 -39.568 -64.699 1.00 25.00 C ATOM 342 NE ARG A 435 -14.615 -38.833 -65.681 1.00 25.00 N ATOM 343 CZ ARG A 435 -14.697 -39.109 -66.981 1.00 25.00 C ATOM 344 NH1 ARG A 435 -14.058 -40.111 -67.533 1.00 25.00 N ATOM 345 NH2 ARG A 435 -15.452 -38.363 -67.742 1.00 25.00 N ATOM 0 H ARG A 435 -9.820 -38.854 -65.299 1.00 25.00 H new ATOM 0 HA ARG A 435 -10.578 -37.989 -62.715 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -11.248 -40.495 -64.294 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -11.999 -40.088 -62.764 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -12.768 -37.941 -63.748 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -12.076 -38.422 -65.284 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -13.537 -40.550 -65.097 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -14.370 -39.734 -63.789 1.00 25.00 H new ATOM 0 HE ARG A 435 -15.166 -38.048 -65.334 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -13.468 -40.717 -66.962 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -14.150 -40.285 -68.534 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -15.969 -37.581 -67.339 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -15.525 -38.562 -68.740 1.00 25.00 H new ATOM 359 N GLN A 436 -8.744 -40.712 -62.968 1.00 25.00 N ATOM 360 CA GLN A 436 -7.908 -41.658 -62.239 1.00 25.00 C ATOM 361 C GLN A 436 -6.822 -40.961 -61.416 1.00 25.00 C ATOM 362 O GLN A 436 -6.641 -41.283 -60.239 1.00 25.00 O ATOM 363 CB GLN A 436 -7.272 -42.655 -63.212 1.00 25.00 C ATOM 364 CG GLN A 436 -7.995 -44.003 -63.284 1.00 25.00 C ATOM 365 CD GLN A 436 -9.387 -43.915 -63.895 1.00 25.00 C ATOM 366 OE1 GLN A 436 -10.334 -43.457 -63.261 1.00 25.00 O ATOM 367 NE2 GLN A 436 -9.518 -44.365 -65.116 1.00 25.00 N ATOM 0 H GLN A 436 -8.734 -40.836 -63.980 1.00 25.00 H new ATOM 0 HA GLN A 436 -8.554 -42.189 -61.539 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -7.251 -42.212 -64.208 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -6.237 -42.825 -62.917 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -7.393 -44.698 -63.870 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -8.074 -44.418 -62.279 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -8.708 -44.738 -65.612 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -10.430 -44.343 -65.573 1.00 25.00 H new ATOM 376 N VAL A 437 -6.110 -40.010 -62.007 1.00 25.00 N ATOM 377 CA VAL A 437 -5.054 -39.308 -61.268 1.00 25.00 C ATOM 378 C VAL A 437 -5.639 -38.404 -60.185 1.00 25.00 C ATOM 379 O VAL A 437 -5.092 -38.304 -59.088 1.00 25.00 O ATOM 380 CB VAL A 437 -4.100 -38.492 -62.206 1.00 25.00 C ATOM 381 CG1 VAL A 437 -3.356 -39.447 -63.157 1.00 25.00 C ATOM 382 CG2 VAL A 437 -4.824 -37.434 -63.016 1.00 25.00 C ATOM 0 H VAL A 437 -6.235 -39.708 -62.973 1.00 25.00 H new ATOM 0 HA VAL A 437 -4.452 -40.081 -60.789 1.00 25.00 H new ATOM 0 HB VAL A 437 -3.394 -37.973 -61.558 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -2.695 -38.872 -63.806 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -2.767 -40.155 -62.574 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -4.079 -39.991 -63.765 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -4.108 -36.904 -63.645 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -5.577 -37.909 -63.644 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -5.307 -36.727 -62.342 1.00 25.00 H new ATOM 392 N LEU A 438 -6.756 -37.759 -60.483 1.00 25.00 N ATOM 393 CA LEU A 438 -7.404 -36.883 -59.515 1.00 25.00 C ATOM 394 C LEU A 438 -7.917 -37.664 -58.316 1.00 25.00 C ATOM 395 O LEU A 438 -7.737 -37.244 -57.188 1.00 25.00 O ATOM 396 CB LEU A 438 -8.570 -36.127 -60.163 1.00 25.00 C ATOM 397 CG LEU A 438 -8.213 -34.883 -60.994 1.00 25.00 C ATOM 398 CD1 LEU A 438 -9.501 -34.273 -61.548 1.00 25.00 C ATOM 399 CD2 LEU A 438 -7.452 -33.832 -60.169 1.00 25.00 C ATOM 0 H LEU A 438 -7.232 -37.824 -61.383 1.00 25.00 H new ATOM 0 HA LEU A 438 -6.654 -36.170 -59.173 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -9.110 -36.822 -60.806 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -9.258 -35.823 -59.374 1.00 25.00 H new ATOM 0 HG LEU A 438 -7.555 -35.194 -61.805 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -9.260 -33.390 -62.139 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -10.008 -35.004 -62.178 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -10.154 -33.990 -60.722 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -7.222 -32.972 -60.798 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -8.069 -33.512 -59.329 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -6.525 -34.265 -59.794 1.00 25.00 H new ATOM 720 N ALA A 462 -18.866 -33.344 -45.960 1.00 25.00 N ATOM 721 CA ALA A 462 -17.712 -33.657 -45.128 1.00 25.00 C ATOM 722 C ALA A 462 -18.146 -34.154 -43.739 1.00 25.00 C ATOM 723 O ALA A 462 -17.520 -35.056 -43.180 1.00 25.00 O ATOM 724 CB ALA A 462 -16.800 -32.425 -45.006 1.00 25.00 C ATOM 0 HA ALA A 462 -17.153 -34.462 -45.606 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.940 -32.669 -44.382 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.457 -32.127 -45.997 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.356 -31.604 -44.553 1.00 25.00 H new ATOM 730 N LEU A 463 -19.210 -33.589 -43.178 1.00 25.00 N ATOM 731 CA LEU A 463 -19.665 -34.014 -41.854 1.00 25.00 C ATOM 732 C LEU A 463 -20.162 -35.455 -41.905 1.00 25.00 C ATOM 733 O LEU A 463 -20.021 -36.190 -40.940 1.00 25.00 O ATOM 734 CB LEU A 463 -20.725 -33.052 -41.299 1.00 25.00 C ATOM 735 CG LEU A 463 -22.225 -33.394 -41.372 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.697 -34.333 -40.254 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.000 -32.107 -41.269 1.00 25.00 C ATOM 0 H LEU A 463 -19.766 -32.849 -43.607 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.822 -33.981 -41.164 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.486 -32.886 -40.248 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.590 -32.099 -41.811 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.394 -33.913 -42.315 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.763 -34.529 -40.370 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.147 -35.272 -40.311 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.517 -33.865 -39.286 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.068 -32.320 -41.318 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.771 -31.619 -40.322 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.723 -31.449 -42.093 1.00 25.00 H new ATOM 749 N GLN A 464 -20.717 -35.877 -43.031 1.00 25.00 N ATOM 750 CA GLN A 464 -21.145 -37.273 -43.178 1.00 25.00 C ATOM 751 C GLN A 464 -19.947 -38.214 -43.005 1.00 25.00 C ATOM 752 O GLN A 464 -20.073 -39.301 -42.443 1.00 25.00 O ATOM 753 CB GLN A 464 -21.820 -37.495 -44.532 1.00 25.00 C ATOM 754 CG GLN A 464 -23.106 -36.690 -44.692 1.00 25.00 C ATOM 755 CD GLN A 464 -23.822 -36.994 -45.981 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.412 -36.582 -47.055 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.908 -37.712 -45.877 1.00 25.00 N ATOM 0 H GLN A 464 -20.883 -35.289 -43.848 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.876 -37.495 -42.400 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.126 -37.224 -45.327 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -22.043 -38.555 -44.652 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.769 -36.901 -43.853 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.872 -35.626 -44.653 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -25.218 -38.038 -44.962 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.446 -37.947 -46.711 1.00 25.00 H new ATOM 766 N GLY A 465 -18.782 -37.779 -43.461 1.00 25.00 N ATOM 767 CA GLY A 465 -17.569 -38.557 -43.282 1.00 25.00 C ATOM 768 C GLY A 465 -17.147 -38.507 -41.828 1.00 25.00 C ATOM 769 O GLY A 465 -16.731 -39.509 -41.269 1.00 25.00 O ATOM 0 H GLY A 465 -18.653 -36.896 -43.955 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.738 -39.590 -43.587 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.775 -38.163 -43.916 1.00 25.00 H new ATOM 773 N ALA A 466 -17.277 -37.338 -41.208 1.00 25.00 N ATOM 774 CA ALA A 466 -16.921 -37.153 -39.797 1.00 25.00 C ATOM 775 C ALA A 466 -17.689 -38.137 -38.904 1.00 25.00 C ATOM 776 O ALA A 466 -17.147 -38.664 -37.943 1.00 25.00 O ATOM 777 CB ALA A 466 -17.210 -35.713 -39.357 1.00 25.00 C ATOM 0 H ALA A 466 -17.629 -36.495 -41.662 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.854 -37.350 -39.690 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.940 -35.592 -38.308 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.624 -35.023 -39.964 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.271 -35.499 -39.486 1.00 25.00 H new ATOM 783 N GLN A 467 -18.944 -38.391 -39.233 1.00 25.00 N ATOM 784 CA GLN A 467 -19.754 -39.339 -38.472 1.00 25.00 C ATOM 785 C GLN A 467 -19.193 -40.752 -38.579 1.00 25.00 C ATOM 786 O GLN A 467 -19.108 -41.480 -37.591 1.00 25.00 O ATOM 787 CB GLN A 467 -21.175 -39.347 -39.020 1.00 25.00 C ATOM 788 CG GLN A 467 -21.922 -38.027 -38.854 1.00 25.00 C ATOM 789 CD GLN A 467 -22.166 -37.651 -37.411 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.571 -38.466 -36.600 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.929 -36.407 -37.088 1.00 25.00 N ATOM 0 H GLN A 467 -19.427 -37.957 -40.020 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.743 -39.028 -37.427 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.141 -39.601 -40.080 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.739 -40.135 -38.521 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.353 -37.233 -39.337 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.879 -38.093 -39.371 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.591 -35.753 -37.793 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.082 -36.091 -36.131 1.00 25.00 H new ATOM 800 N ALA A 468 -18.819 -41.145 -39.788 1.00 25.00 N ATOM 801 CA ALA A 468 -18.305 -42.486 -40.028 1.00 25.00 C ATOM 802 C ALA A 468 -16.964 -42.677 -39.317 1.00 25.00 C ATOM 803 O ALA A 468 -16.734 -43.695 -38.661 1.00 25.00 O ATOM 804 CB ALA A 468 -18.156 -42.733 -41.538 1.00 25.00 C ATOM 0 H ALA A 468 -18.862 -40.554 -40.618 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.013 -43.211 -39.626 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.771 -43.739 -41.706 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.128 -42.631 -42.021 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.463 -42.004 -41.959 1.00 25.00 H new ATOM 810 N VAL A 469 -16.079 -41.698 -39.433 1.00 25.00 N ATOM 811 CA VAL A 469 -14.766 -41.815 -38.809 1.00 25.00 C ATOM 812 C VAL A 469 -14.880 -41.738 -37.294 1.00 25.00 C ATOM 813 O VAL A 469 -14.069 -42.306 -36.602 1.00 25.00 O ATOM 814 CB VAL A 469 -13.730 -40.761 -39.331 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.634 -40.823 -40.852 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.093 -39.358 -38.901 1.00 25.00 C ATOM 0 H VAL A 469 -16.239 -40.829 -39.943 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.383 -42.794 -39.096 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.763 -41.009 -38.893 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.911 -40.086 -41.201 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.312 -41.819 -41.156 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.610 -40.608 -41.287 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.351 -38.657 -39.283 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.075 -39.098 -39.297 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.116 -39.305 -37.813 1.00 25.00 H new ATOM 826 N ALA A 470 -15.890 -41.053 -36.770 1.00 25.00 N ATOM 827 CA ALA A 470 -16.065 -40.947 -35.320 1.00 25.00 C ATOM 828 C ALA A 470 -16.205 -42.334 -34.684 1.00 25.00 C ATOM 829 O ALA A 470 -15.738 -42.560 -33.563 1.00 25.00 O ATOM 830 CB ALA A 470 -17.285 -40.079 -34.988 1.00 25.00 C ATOM 0 H ALA A 470 -16.597 -40.565 -37.320 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.177 -40.471 -34.905 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.400 -40.011 -33.906 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.144 -39.080 -35.401 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.179 -40.528 -35.420 1.00 25.00 H new ATOM 836 N ALA A 471 -16.827 -43.261 -35.400 1.00 25.00 N ATOM 837 CA ALA A 471 -16.966 -44.629 -34.907 1.00 25.00 C ATOM 838 C ALA A 471 -15.582 -45.287 -34.808 1.00 25.00 C ATOM 839 O ALA A 471 -15.314 -46.046 -33.888 1.00 25.00 O ATOM 840 CB ALA A 471 -17.882 -45.433 -35.834 1.00 25.00 C ATOM 0 H ALA A 471 -17.241 -43.095 -36.317 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.416 -44.610 -33.914 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.978 -46.451 -35.457 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.866 -44.965 -35.869 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.455 -45.456 -36.837 1.00 25.00 H new ATOM 846 N ALA A 472 -14.706 -44.980 -35.751 1.00 25.00 N ATOM 847 CA ALA A 472 -13.339 -45.498 -35.732 1.00 25.00 C ATOM 848 C ALA A 472 -12.510 -44.815 -34.638 1.00 25.00 C ATOM 849 O ALA A 472 -11.669 -45.443 -34.012 1.00 25.00 O ATOM 850 CB ALA A 472 -12.679 -45.305 -37.106 1.00 25.00 C ATOM 0 H ALA A 472 -14.914 -44.373 -36.544 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.380 -46.564 -35.509 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.661 -45.695 -37.079 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.252 -45.840 -37.863 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.654 -44.243 -37.352 1.00 25.00 H new ATOM 856 N GLN A 473 -12.738 -43.531 -34.413 1.00 25.00 N ATOM 857 CA GLN A 473 -11.988 -42.799 -33.394 1.00 25.00 C ATOM 858 C GLN A 473 -12.309 -43.300 -31.991 1.00 25.00 C ATOM 859 O GLN A 473 -11.418 -43.529 -31.180 1.00 25.00 O ATOM 860 CB GLN A 473 -12.297 -41.296 -33.452 1.00 25.00 C ATOM 861 CG GLN A 473 -11.960 -40.612 -34.779 1.00 25.00 C ATOM 862 CD GLN A 473 -10.482 -40.402 -35.013 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.661 -40.553 -34.127 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.143 -40.051 -36.228 1.00 25.00 N ATOM 0 H GLN A 473 -13.429 -42.974 -34.915 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.932 -42.969 -33.606 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.358 -41.151 -33.246 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.746 -40.797 -32.654 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.364 -41.211 -35.596 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.462 -39.645 -34.814 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.860 -39.934 -36.944 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.162 -39.894 -36.459 1.00 25.00 H new ATOM 873 N ARG A 474 -13.588 -43.487 -31.694 1.00 25.00 N ATOM 874 CA ARG A 474 -13.964 -43.996 -30.367 1.00 25.00 C ATOM 875 C ARG A 474 -13.435 -45.419 -30.198 1.00 25.00 C ATOM 876 O ARG A 474 -13.164 -45.862 -29.089 1.00 25.00 O ATOM 877 CB ARG A 474 -15.483 -43.922 -30.137 1.00 25.00 C ATOM 878 CG ARG A 474 -16.335 -44.792 -31.044 1.00 25.00 C ATOM 879 CD ARG A 474 -17.817 -44.451 -30.924 1.00 25.00 C ATOM 880 NE ARG A 474 -18.338 -44.689 -29.565 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.576 -44.427 -29.165 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.484 -43.921 -29.966 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.910 -44.684 -27.931 1.00 25.00 N ATOM 0 H ARG A 474 -14.367 -43.303 -32.327 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.508 -43.361 -29.607 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.688 -44.199 -29.103 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.799 -42.886 -30.258 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.015 -44.663 -32.078 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.181 -45.841 -30.791 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -17.970 -43.405 -31.191 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.384 -45.049 -31.638 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.696 -45.086 -28.879 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.249 -43.714 -30.937 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.424 -43.735 -29.618 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.224 -45.081 -27.289 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.857 -44.488 -27.608 1.00 25.00 H new ATOM 897 N LEU A 475 -13.276 -46.117 -31.312 1.00 25.00 N ATOM 898 CA LEU A 475 -12.722 -47.463 -31.315 1.00 25.00 C ATOM 899 C LEU A 475 -11.213 -47.438 -31.039 1.00 25.00 C ATOM 900 O LEU A 475 -10.743 -48.173 -30.180 1.00 25.00 O ATOM 901 CB LEU A 475 -13.028 -48.126 -32.668 1.00 25.00 C ATOM 902 CG LEU A 475 -11.977 -49.053 -33.298 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.834 -50.356 -32.503 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.358 -49.375 -34.729 1.00 25.00 C ATOM 0 H LEU A 475 -13.526 -45.768 -32.237 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.183 -48.045 -30.518 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.947 -48.701 -32.552 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.237 -47.331 -33.384 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.020 -48.531 -33.280 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.083 -50.990 -32.975 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.527 -50.128 -31.482 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.790 -50.879 -32.486 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.607 -50.032 -35.166 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.328 -49.872 -34.744 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.414 -48.453 -35.307 1.00 25.00 H new ATOM 916 N VAL A 476 -10.448 -46.610 -31.745 1.00 25.00 N ATOM 917 CA VAL A 476 -8.993 -46.601 -31.557 1.00 25.00 C ATOM 918 C VAL A 476 -8.673 -46.160 -30.135 1.00 25.00 C ATOM 919 O VAL A 476 -7.753 -46.675 -29.497 1.00 25.00 O ATOM 920 CB VAL A 476 -8.240 -45.751 -32.639 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.591 -44.281 -32.579 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.733 -45.932 -32.514 1.00 25.00 C ATOM 0 H VAL A 476 -10.797 -45.949 -32.439 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.622 -47.616 -31.699 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.571 -46.123 -33.609 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.040 -43.744 -33.351 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.661 -44.155 -32.743 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.325 -43.883 -31.600 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.230 -45.334 -33.274 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.409 -45.609 -31.525 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.480 -46.983 -32.654 1.00 25.00 H new ATOM 932 N HIS A 477 -9.455 -45.226 -29.624 1.00 25.00 N ATOM 933 CA HIS A 477 -9.275 -44.749 -28.273 1.00 25.00 C ATOM 934 C HIS A 477 -9.535 -45.869 -27.267 1.00 25.00 C ATOM 935 O HIS A 477 -8.890 -45.927 -26.237 1.00 25.00 O ATOM 936 CB HIS A 477 -10.201 -43.563 -28.021 1.00 25.00 C ATOM 937 CG HIS A 477 -9.771 -42.704 -26.874 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.482 -41.633 -26.391 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.647 -42.755 -26.109 1.00 25.00 C ATOM 940 CE1 HIS A 477 -9.796 -41.099 -25.385 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.668 -41.746 -25.168 1.00 25.00 N ATOM 0 H HIS A 477 -10.223 -44.784 -30.130 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.243 -44.422 -28.145 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.251 -42.953 -28.923 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.208 -43.933 -27.830 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.854 -43.480 -26.222 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.123 -40.241 -24.816 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -7.964 -41.544 -24.458 1.00 25.00 H new ATOM 949 N ALA A 478 -10.459 -46.772 -27.566 1.00 25.00 N ATOM 950 CA ALA A 478 -10.743 -47.872 -26.655 1.00 25.00 C ATOM 951 C ALA A 478 -9.499 -48.752 -26.483 1.00 25.00 C ATOM 952 O ALA A 478 -9.173 -49.160 -25.376 1.00 25.00 O ATOM 953 CB ALA A 478 -11.922 -48.704 -27.175 1.00 25.00 C ATOM 0 H ALA A 478 -11.017 -46.766 -28.420 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.014 -47.460 -25.683 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.123 -49.523 -26.484 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.806 -48.072 -27.255 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.676 -49.110 -28.156 1.00 25.00 H new ATOM 959 N ILE A 479 -8.802 -49.031 -27.572 1.00 25.00 N ATOM 960 CA ILE A 479 -7.596 -49.862 -27.500 1.00 25.00 C ATOM 961 C ILE A 479 -6.487 -49.091 -26.810 1.00 25.00 C ATOM 962 O ILE A 479 -5.694 -49.665 -26.081 1.00 25.00 O ATOM 963 CB ILE A 479 -7.096 -50.285 -28.895 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.205 -51.009 -29.665 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.863 -51.218 -28.799 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.373 -50.442 -31.001 1.00 25.00 C ATOM 0 H ILE A 479 -9.040 -48.703 -28.508 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.858 -50.760 -26.940 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.809 -49.376 -29.423 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.965 -52.069 -29.744 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.143 -50.935 -29.114 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.538 -51.496 -29.802 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.053 -50.699 -28.286 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.129 -52.116 -28.242 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.166 -50.975 -31.525 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.637 -49.388 -30.918 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.441 -50.540 -31.558 1.00 25.00 H new ATOM 978 N ALA A 480 -6.449 -47.784 -27.024 1.00 25.00 N ATOM 979 CA ALA A 480 -5.441 -46.941 -26.397 1.00 25.00 C ATOM 980 C ALA A 480 -5.561 -47.049 -24.869 1.00 25.00 C ATOM 981 O ALA A 480 -4.592 -46.844 -24.138 1.00 25.00 O ATOM 982 CB ALA A 480 -5.600 -45.491 -26.863 1.00 25.00 C ATOM 0 H ALA A 480 -7.103 -47.284 -27.626 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.448 -47.279 -26.692 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.841 -44.871 -26.387 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.483 -45.442 -27.946 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.590 -45.127 -26.588 1.00 25.00 H new ATOM 988 N LEU A 481 -6.748 -47.385 -24.386 1.00 25.00 N ATOM 989 CA LEU A 481 -6.941 -47.594 -22.948 1.00 25.00 C ATOM 990 C LEU A 481 -6.475 -48.974 -22.558 1.00 25.00 C ATOM 991 O LEU A 481 -5.829 -49.153 -21.548 1.00 25.00 O ATOM 992 CB LEU A 481 -8.397 -47.423 -22.547 1.00 25.00 C ATOM 993 CG LEU A 481 -8.875 -46.026 -22.899 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.377 -46.047 -23.057 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.454 -44.996 -21.857 1.00 25.00 C ATOM 0 H LEU A 481 -7.584 -47.519 -24.954 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.351 -46.841 -22.425 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.012 -48.165 -23.056 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.510 -47.595 -21.477 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.408 -45.727 -23.837 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.730 -45.047 -23.310 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.649 -46.740 -23.853 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.837 -46.368 -22.122 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.818 -44.011 -22.151 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.876 -45.265 -20.889 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.367 -44.974 -21.786 1.00 25.00 H new ATOM 1007 N MET A 482 -6.789 -49.962 -23.376 1.00 25.00 N ATOM 1008 CA MET A 482 -6.385 -51.336 -23.086 1.00 25.00 C ATOM 1009 C MET A 482 -4.884 -51.474 -23.015 1.00 25.00 C ATOM 1010 O MET A 482 -4.363 -52.333 -22.312 1.00 25.00 O ATOM 1011 CB MET A 482 -6.913 -52.290 -24.153 1.00 25.00 C ATOM 1012 CG MET A 482 -8.390 -52.223 -24.241 1.00 25.00 C ATOM 1013 SD MET A 482 -9.156 -53.691 -24.966 1.00 25.00 S ATOM 1014 CE MET A 482 -8.878 -53.406 -26.708 1.00 25.00 C ATOM 0 H MET A 482 -7.318 -49.846 -24.241 1.00 25.00 H new ATOM 0 HA MET A 482 -6.810 -51.591 -22.115 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.476 -52.038 -25.119 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.605 -53.309 -23.919 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.796 -52.071 -23.241 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.668 -51.351 -24.833 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.234 -54.264 -27.278 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.419 -52.513 -27.021 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.812 -53.267 -26.888 1.00 25.00 H new ATOM 1024 N THR A 483 -4.177 -50.625 -23.735 1.00 25.00 N ATOM 1025 CA THR A 483 -2.721 -50.744 -23.769 1.00 25.00 C ATOM 1026 C THR A 483 -2.104 -50.196 -22.487 1.00 25.00 C ATOM 1027 O THR A 483 -1.124 -50.743 -21.978 1.00 25.00 O ATOM 1028 CB THR A 483 -2.139 -50.051 -25.001 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.619 -48.710 -25.062 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.574 -50.780 -26.269 1.00 25.00 C ATOM 0 H THR A 483 -4.566 -49.864 -24.292 1.00 25.00 H new ATOM 0 HA THR A 483 -2.471 -51.803 -23.838 1.00 25.00 H new ATOM 0 HB THR A 483 -1.052 -50.061 -24.927 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.245 -48.264 -25.851 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.154 -50.277 -27.140 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.218 -51.810 -26.237 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.662 -50.774 -26.337 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.681 -49.134 -21.942 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.193 -48.594 -20.675 1.00 25.00 C ATOM 1040 C GLN A 484 -2.729 -49.425 -19.506 1.00 25.00 C ATOM 1041 O GLN A 484 -2.068 -49.547 -18.481 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.535 -47.102 -20.525 1.00 25.00 C ATOM 1043 CG GLN A 484 -4.007 -46.762 -20.607 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.255 -45.277 -20.626 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.236 -44.619 -19.602 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.494 -44.744 -21.796 1.00 25.00 N ATOM 0 H GLN A 484 -3.473 -48.635 -22.346 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.105 -48.663 -20.668 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.152 -46.754 -19.566 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.007 -46.546 -21.300 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.431 -47.209 -21.506 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.527 -47.203 -19.756 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.501 -45.329 -22.631 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.673 -43.743 -21.873 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.908 -50.026 -19.664 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.456 -50.913 -18.638 1.00 25.00 C ATOM 1057 C PHE A 485 -3.563 -52.142 -18.538 1.00 25.00 C ATOM 1058 O PHE A 485 -3.337 -52.671 -17.456 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.879 -51.340 -19.002 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.954 -50.569 -18.277 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.634 -51.157 -17.194 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.298 -49.256 -18.664 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.656 -50.453 -16.509 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.320 -48.544 -17.983 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.998 -49.145 -16.906 1.00 25.00 C ATOM 0 H PHE A 485 -4.499 -49.916 -20.488 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.490 -50.388 -17.683 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.020 -51.219 -20.076 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.996 -52.401 -18.783 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.374 -52.157 -16.881 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.778 -48.788 -19.487 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -9.172 -50.919 -15.683 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.577 -47.541 -18.291 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.777 -48.606 -16.386 1.00 25.00 H new