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 -164:sc= -0.128 (180deg=-0.519) USER MOD Single : A 433 MET CE :methyl -139:sc= -0.103 (180deg=-1.85!) USER MOD Single : A 434 THR OG1 : rot 78:sc= 1.02 USER MOD Single : A 436 GLN : amide:sc= 0.0542 X(o=0.054,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 477 HIS : no HD1:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 482 MET CE :methyl 175:sc=-0.000887 (180deg=-0.0548) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.322 X(o=0.32,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 14.662 -22.817 -90.646 1.00 25.00 N ATOM 114 CA GLU A 419 13.286 -22.568 -90.218 1.00 25.00 C ATOM 115 C GLU A 419 12.446 -23.844 -90.215 1.00 25.00 C ATOM 116 O GLU A 419 11.414 -23.898 -89.577 1.00 25.00 O ATOM 117 CB GLU A 419 12.635 -21.535 -91.142 1.00 25.00 C ATOM 118 CG GLU A 419 13.217 -20.132 -90.997 1.00 25.00 C ATOM 119 CD GLU A 419 12.659 -19.173 -92.035 1.00 25.00 C ATOM 120 OE1 GLU A 419 13.141 -19.231 -93.191 1.00 25.00 O ATOM 121 OE2 GLU A 419 11.754 -18.379 -91.724 1.00 25.00 O ATOM 0 HA GLU A 419 13.325 -22.190 -89.196 1.00 25.00 H new ATOM 0 HB2 GLU A 419 12.749 -21.862 -92.176 1.00 25.00 H new ATOM 0 HB3 GLU A 419 11.565 -21.499 -90.936 1.00 25.00 H new ATOM 0 HG2 GLU A 419 13.001 -19.751 -89.999 1.00 25.00 H new ATOM 0 HG3 GLU A 419 14.302 -20.178 -91.092 1.00 25.00 H new ATOM 128 N VAL A 420 12.886 -24.880 -90.916 1.00 25.00 N ATOM 129 CA VAL A 420 12.162 -26.155 -90.926 1.00 25.00 C ATOM 130 C VAL A 420 12.397 -26.847 -89.581 1.00 25.00 C ATOM 131 O VAL A 420 11.511 -27.498 -89.036 1.00 25.00 O ATOM 132 CB VAL A 420 12.623 -27.068 -92.105 1.00 25.00 C ATOM 133 CG1 VAL A 420 11.829 -28.384 -92.129 1.00 25.00 C ATOM 134 CG2 VAL A 420 12.433 -26.336 -93.445 1.00 25.00 C ATOM 0 H VAL A 420 13.734 -24.869 -91.483 1.00 25.00 H new ATOM 0 HA VAL A 420 11.099 -25.966 -91.073 1.00 25.00 H new ATOM 0 HB VAL A 420 13.678 -27.299 -91.957 1.00 25.00 H new ATOM 0 HG11 VAL A 420 12.171 -29.000 -92.960 1.00 25.00 H new ATOM 0 HG12 VAL A 420 11.984 -28.920 -91.192 1.00 25.00 H new ATOM 0 HG13 VAL A 420 10.768 -28.167 -92.251 1.00 25.00 H new ATOM 0 HG21 VAL A 420 12.758 -26.981 -94.261 1.00 25.00 H new ATOM 0 HG22 VAL A 420 11.380 -26.086 -93.577 1.00 25.00 H new ATOM 0 HG23 VAL A 420 13.026 -25.422 -93.447 1.00 25.00 H new ATOM 144 N SER A 421 13.591 -26.687 -89.031 1.00 25.00 N ATOM 145 CA SER A 421 13.902 -27.262 -87.726 1.00 25.00 C ATOM 146 C SER A 421 13.133 -26.505 -86.654 1.00 25.00 C ATOM 147 O SER A 421 12.646 -27.090 -85.690 1.00 25.00 O ATOM 148 CB SER A 421 15.395 -27.153 -87.439 1.00 25.00 C ATOM 149 OG SER A 421 16.152 -27.786 -88.460 1.00 25.00 O ATOM 0 H SER A 421 14.357 -26.169 -89.462 1.00 25.00 H new ATOM 0 HA SER A 421 13.617 -28.314 -87.725 1.00 25.00 H new ATOM 0 HB2 SER A 421 15.680 -26.104 -87.366 1.00 25.00 H new ATOM 0 HB3 SER A 421 15.619 -27.612 -86.476 1.00 25.00 H new ATOM 0 HG SER A 421 17.107 -27.703 -88.258 1.00 25.00 H new ATOM 155 N ASP A 422 13.018 -25.199 -86.838 1.00 25.00 N ATOM 156 CA ASP A 422 12.283 -24.355 -85.899 1.00 25.00 C ATOM 157 C ASP A 422 10.801 -24.703 -85.961 1.00 25.00 C ATOM 158 O ASP A 422 10.102 -24.675 -84.959 1.00 25.00 O ATOM 159 CB ASP A 422 12.478 -22.873 -86.241 1.00 25.00 C ATOM 160 CG ASP A 422 13.925 -22.425 -86.107 1.00 25.00 C ATOM 161 OD1 ASP A 422 14.406 -21.700 -87.008 1.00 25.00 O ATOM 162 OD2 ASP A 422 14.587 -22.801 -85.115 1.00 25.00 O ATOM 0 H ASP A 422 13.423 -24.697 -87.628 1.00 25.00 H new ATOM 0 HA ASP A 422 12.663 -24.533 -84.893 1.00 25.00 H new ATOM 0 HB2 ASP A 422 12.139 -22.692 -87.261 1.00 25.00 H new ATOM 0 HB3 ASP A 422 11.852 -22.268 -85.585 1.00 25.00 H new ATOM 167 N MET A 423 10.329 -25.049 -87.150 1.00 25.00 N ATOM 168 CA MET A 423 8.925 -25.410 -87.367 1.00 25.00 C ATOM 169 C MET A 423 8.553 -26.638 -86.548 1.00 25.00 C ATOM 170 O MET A 423 7.461 -26.721 -85.997 1.00 25.00 O ATOM 171 CB MET A 423 8.702 -25.696 -88.855 1.00 25.00 C ATOM 172 CG MET A 423 7.253 -25.750 -89.299 1.00 25.00 C ATOM 173 SD MET A 423 7.142 -26.157 -91.074 1.00 25.00 S ATOM 174 CE MET A 423 7.976 -24.733 -91.864 1.00 25.00 C ATOM 0 H MET A 423 10.902 -25.089 -87.993 1.00 25.00 H new ATOM 0 HA MET A 423 8.294 -24.580 -87.050 1.00 25.00 H new ATOM 0 HB2 MET A 423 9.213 -24.928 -89.435 1.00 25.00 H new ATOM 0 HB3 MET A 423 9.174 -26.647 -89.099 1.00 25.00 H new ATOM 0 HG2 MET A 423 6.715 -26.497 -88.715 1.00 25.00 H new ATOM 0 HG3 MET A 423 6.773 -24.790 -89.109 1.00 25.00 H new ATOM 0 HE1 MET A 423 7.732 -24.712 -92.926 1.00 25.00 H new ATOM 0 HE2 MET A 423 7.639 -23.808 -91.395 1.00 25.00 H new ATOM 0 HE3 MET A 423 9.055 -24.830 -91.742 1.00 25.00 H new ATOM 184 N ALA A 424 9.475 -27.585 -86.454 1.00 25.00 N ATOM 185 CA ALA A 424 9.240 -28.803 -85.688 1.00 25.00 C ATOM 186 C ALA A 424 9.075 -28.466 -84.202 1.00 25.00 C ATOM 187 O ALA A 424 8.313 -29.112 -83.488 1.00 25.00 O ATOM 188 CB ALA A 424 10.402 -29.782 -85.894 1.00 25.00 C ATOM 0 H ALA A 424 10.392 -27.535 -86.898 1.00 25.00 H new ATOM 0 HA ALA A 424 8.322 -29.275 -86.039 1.00 25.00 H new ATOM 0 HB1 ALA A 424 10.219 -30.690 -85.319 1.00 25.00 H new ATOM 0 HB2 ALA A 424 10.483 -30.033 -86.952 1.00 25.00 H new ATOM 0 HB3 ALA A 424 11.331 -29.320 -85.558 1.00 25.00 H new ATOM 194 N ALA A 425 9.784 -27.444 -83.741 1.00 25.00 N ATOM 195 CA ALA A 425 9.675 -27.015 -82.351 1.00 25.00 C ATOM 196 C ALA A 425 8.300 -26.375 -82.111 1.00 25.00 C ATOM 197 O ALA A 425 7.715 -26.549 -81.048 1.00 25.00 O ATOM 198 CB ALA A 425 10.803 -26.033 -82.002 1.00 25.00 C ATOM 0 H ALA A 425 10.437 -26.899 -84.304 1.00 25.00 H new ATOM 0 HA ALA A 425 9.773 -27.885 -81.701 1.00 25.00 H new ATOM 0 HB1 ALA A 425 10.707 -25.723 -80.961 1.00 25.00 H new ATOM 0 HB2 ALA A 425 11.767 -26.520 -82.148 1.00 25.00 H new ATOM 0 HB3 ALA A 425 10.737 -25.158 -82.649 1.00 25.00 H new ATOM 204 N VAL A 426 7.788 -25.650 -83.098 1.00 25.00 N ATOM 205 CA VAL A 426 6.464 -25.031 -82.984 1.00 25.00 C ATOM 206 C VAL A 426 5.405 -26.127 -82.915 1.00 25.00 C ATOM 207 O VAL A 426 4.507 -26.079 -82.079 1.00 25.00 O ATOM 208 CB VAL A 426 6.156 -24.092 -84.195 1.00 25.00 C ATOM 209 CG1 VAL A 426 4.760 -23.476 -84.069 1.00 25.00 C ATOM 210 CG2 VAL A 426 7.198 -22.973 -84.284 1.00 25.00 C ATOM 0 H VAL A 426 8.263 -25.474 -83.984 1.00 25.00 H new ATOM 0 HA VAL A 426 6.451 -24.425 -82.078 1.00 25.00 H new ATOM 0 HB VAL A 426 6.195 -24.696 -85.102 1.00 25.00 H new ATOM 0 HG11 VAL A 426 4.570 -22.827 -84.924 1.00 25.00 H new ATOM 0 HG12 VAL A 426 4.013 -24.270 -84.043 1.00 25.00 H new ATOM 0 HG13 VAL A 426 4.701 -22.892 -83.150 1.00 25.00 H new ATOM 0 HG21 VAL A 426 6.968 -22.329 -85.133 1.00 25.00 H new ATOM 0 HG22 VAL A 426 7.180 -22.385 -83.366 1.00 25.00 H new ATOM 0 HG23 VAL A 426 8.189 -23.408 -84.416 1.00 25.00 H new ATOM 220 N GLU A 427 5.516 -27.123 -83.783 1.00 25.00 N ATOM 221 CA GLU A 427 4.564 -28.230 -83.793 1.00 25.00 C ATOM 222 C GLU A 427 4.588 -28.952 -82.450 1.00 25.00 C ATOM 223 O GLU A 427 3.542 -29.270 -81.888 1.00 25.00 O ATOM 224 CB GLU A 427 4.903 -29.220 -84.909 1.00 25.00 C ATOM 225 CG GLU A 427 4.593 -28.705 -86.314 1.00 25.00 C ATOM 226 CD GLU A 427 4.900 -29.738 -87.399 1.00 25.00 C ATOM 227 OE1 GLU A 427 4.661 -29.436 -88.590 1.00 25.00 O ATOM 228 OE2 GLU A 427 5.368 -30.851 -87.065 1.00 25.00 O ATOM 0 H GLU A 427 6.251 -27.189 -84.487 1.00 25.00 H new ATOM 0 HA GLU A 427 3.568 -27.824 -83.970 1.00 25.00 H new ATOM 0 HB2 GLU A 427 5.963 -29.469 -84.850 1.00 25.00 H new ATOM 0 HB3 GLU A 427 4.349 -30.144 -84.742 1.00 25.00 H new ATOM 0 HG2 GLU A 427 3.541 -28.425 -86.371 1.00 25.00 H new ATOM 0 HG3 GLU A 427 5.173 -27.802 -86.502 1.00 25.00 H new ATOM 235 N ALA A 428 5.780 -29.201 -81.927 1.00 25.00 N ATOM 236 CA ALA A 428 5.917 -29.875 -80.642 1.00 25.00 C ATOM 237 C ALA A 428 5.282 -29.044 -79.523 1.00 25.00 C ATOM 238 O ALA A 428 4.616 -29.592 -78.643 1.00 25.00 O ATOM 239 CB ALA A 428 7.397 -30.138 -80.342 1.00 25.00 C ATOM 0 H ALA A 428 6.663 -28.948 -82.370 1.00 25.00 H new ATOM 0 HA ALA A 428 5.394 -30.830 -80.693 1.00 25.00 H new ATOM 0 HB1 ALA A 428 7.489 -30.642 -79.380 1.00 25.00 H new ATOM 0 HB2 ALA A 428 7.820 -30.769 -81.124 1.00 25.00 H new ATOM 0 HB3 ALA A 428 7.935 -29.191 -80.309 1.00 25.00 H new ATOM 245 N ALA A 429 5.481 -27.733 -79.568 1.00 25.00 N ATOM 246 CA ALA A 429 4.935 -26.835 -78.557 1.00 25.00 C ATOM 247 C ALA A 429 3.408 -26.870 -78.563 1.00 25.00 C ATOM 248 O ALA A 429 2.785 -26.928 -77.512 1.00 25.00 O ATOM 249 CB ALA A 429 5.438 -25.403 -78.794 1.00 25.00 C ATOM 0 H ALA A 429 6.019 -27.265 -80.297 1.00 25.00 H new ATOM 0 HA ALA A 429 5.277 -27.172 -77.579 1.00 25.00 H new ATOM 0 HB1 ALA A 429 5.024 -24.741 -78.033 1.00 25.00 H new ATOM 0 HB2 ALA A 429 6.526 -25.386 -78.737 1.00 25.00 H new ATOM 0 HB3 ALA A 429 5.121 -25.065 -79.781 1.00 25.00 H new ATOM 255 N GLU A 430 2.804 -26.848 -79.740 1.00 25.00 N ATOM 256 CA GLU A 430 1.344 -26.877 -79.838 1.00 25.00 C ATOM 257 C GLU A 430 0.813 -28.215 -79.339 1.00 25.00 C ATOM 258 O GLU A 430 -0.195 -28.290 -78.618 1.00 25.00 O ATOM 259 CB GLU A 430 0.900 -26.670 -81.292 1.00 25.00 C ATOM 260 CG GLU A 430 1.287 -25.317 -81.876 1.00 25.00 C ATOM 261 CD GLU A 430 0.077 -24.448 -82.184 1.00 25.00 C ATOM 262 OE1 GLU A 430 -0.160 -24.147 -83.376 1.00 25.00 O ATOM 263 OE2 GLU A 430 -0.633 -24.056 -81.232 1.00 25.00 O ATOM 0 H GLU A 430 3.291 -26.811 -80.635 1.00 25.00 H new ATOM 0 HA GLU A 430 0.944 -26.072 -79.222 1.00 25.00 H new ATOM 0 HB2 GLU A 430 1.334 -27.457 -81.908 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -0.183 -26.782 -81.349 1.00 25.00 H new ATOM 0 HG2 GLU A 430 1.937 -24.794 -81.174 1.00 25.00 H new ATOM 0 HG3 GLU A 430 1.862 -25.470 -82.789 1.00 25.00 H new ATOM 270 N LEU A 431 1.499 -29.283 -79.711 1.00 25.00 N ATOM 271 CA LEU A 431 1.091 -30.617 -79.297 1.00 25.00 C ATOM 272 C LEU A 431 1.149 -30.761 -77.782 1.00 25.00 C ATOM 273 O LEU A 431 0.221 -31.303 -77.180 1.00 25.00 O ATOM 274 CB LEU A 431 1.982 -31.682 -79.951 1.00 25.00 C ATOM 275 CG LEU A 431 1.706 -31.960 -81.440 1.00 25.00 C ATOM 276 CD1 LEU A 431 2.853 -32.780 -82.029 1.00 25.00 C ATOM 277 CD2 LEU A 431 0.381 -32.710 -81.635 1.00 25.00 C ATOM 0 H LEU A 431 2.335 -29.254 -80.295 1.00 25.00 H new ATOM 0 HA LEU A 431 0.061 -30.764 -79.623 1.00 25.00 H new ATOM 0 HB2 LEU A 431 3.022 -31.374 -79.844 1.00 25.00 H new ATOM 0 HB3 LEU A 431 1.867 -32.615 -79.399 1.00 25.00 H new ATOM 0 HG LEU A 431 1.630 -31.002 -81.955 1.00 25.00 H new ATOM 0 HD11 LEU A 431 2.656 -32.976 -83.083 1.00 25.00 H new ATOM 0 HD12 LEU A 431 3.785 -32.224 -81.931 1.00 25.00 H new ATOM 0 HD13 LEU A 431 2.937 -33.726 -81.494 1.00 25.00 H new ATOM 0 HD21 LEU A 431 0.218 -32.890 -82.698 1.00 25.00 H new ATOM 0 HD22 LEU A 431 0.421 -33.663 -81.108 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -0.438 -32.110 -81.238 1.00 25.00 H new ATOM 289 N GLU A 432 2.219 -30.299 -77.152 1.00 25.00 N ATOM 290 CA GLU A 432 2.322 -30.417 -75.700 1.00 25.00 C ATOM 291 C GLU A 432 1.455 -29.410 -74.942 1.00 25.00 C ATOM 292 O GLU A 432 0.956 -29.735 -73.857 1.00 25.00 O ATOM 293 CB GLU A 432 3.778 -30.365 -75.210 1.00 25.00 C ATOM 294 CG GLU A 432 4.440 -28.996 -75.203 1.00 25.00 C ATOM 295 CD GLU A 432 5.742 -29.017 -74.427 1.00 25.00 C ATOM 296 OE1 GLU A 432 5.823 -28.305 -73.402 1.00 25.00 O ATOM 297 OE2 GLU A 432 6.674 -29.749 -74.822 1.00 25.00 O ATOM 0 H GLU A 432 3.013 -29.849 -77.608 1.00 25.00 H new ATOM 0 HA GLU A 432 1.925 -31.406 -75.470 1.00 25.00 H new ATOM 0 HB2 GLU A 432 3.812 -30.766 -74.197 1.00 25.00 H new ATOM 0 HB3 GLU A 432 4.373 -31.029 -75.836 1.00 25.00 H new ATOM 0 HG2 GLU A 432 4.630 -28.677 -76.228 1.00 25.00 H new ATOM 0 HG3 GLU A 432 3.763 -28.265 -74.762 1.00 25.00 H new ATOM 304 N MET A 433 1.252 -28.208 -75.479 1.00 25.00 N ATOM 305 CA MET A 433 0.465 -27.204 -74.758 1.00 25.00 C ATOM 306 C MET A 433 -0.962 -27.660 -74.616 1.00 25.00 C ATOM 307 O MET A 433 -1.604 -27.405 -73.606 1.00 25.00 O ATOM 308 CB MET A 433 0.504 -25.806 -75.408 1.00 25.00 C ATOM 309 CG MET A 433 -0.366 -25.573 -76.637 1.00 25.00 C ATOM 310 SD MET A 433 -0.353 -23.817 -77.090 1.00 25.00 S ATOM 311 CE MET A 433 1.238 -23.633 -77.953 1.00 25.00 C ATOM 0 H MET A 433 1.610 -27.909 -76.386 1.00 25.00 H new ATOM 0 HA MET A 433 0.928 -27.106 -73.776 1.00 25.00 H new ATOM 0 HB2 MET A 433 0.218 -25.076 -74.651 1.00 25.00 H new ATOM 0 HB3 MET A 433 1.537 -25.592 -75.683 1.00 25.00 H new ATOM 0 HG2 MET A 433 -0.000 -26.174 -77.470 1.00 25.00 H new ATOM 0 HG3 MET A 433 -1.387 -25.896 -76.435 1.00 25.00 H new ATOM 0 HE1 MET A 433 1.707 -22.695 -77.655 1.00 25.00 H new ATOM 0 HE2 MET A 433 1.892 -24.465 -77.692 1.00 25.00 H new ATOM 0 HE3 MET A 433 1.069 -23.628 -79.030 1.00 25.00 H new ATOM 321 N THR A 434 -1.463 -28.353 -75.624 1.00 25.00 N ATOM 322 CA THR A 434 -2.835 -28.812 -75.591 1.00 25.00 C ATOM 323 C THR A 434 -3.006 -29.858 -74.488 1.00 25.00 C ATOM 324 O THR A 434 -4.027 -29.913 -73.815 1.00 25.00 O ATOM 325 CB THR A 434 -3.246 -29.388 -76.962 1.00 25.00 C ATOM 326 OG1 THR A 434 -2.935 -28.438 -77.985 1.00 25.00 O ATOM 327 CG2 THR A 434 -4.731 -29.639 -77.019 1.00 25.00 C ATOM 0 H THR A 434 -0.945 -28.607 -76.465 1.00 25.00 H new ATOM 0 HA THR A 434 -3.487 -27.966 -75.373 1.00 25.00 H new ATOM 0 HB THR A 434 -2.707 -30.324 -77.108 1.00 25.00 H new ATOM 0 HG1 THR A 434 -1.974 -28.463 -78.173 1.00 25.00 H new ATOM 0 HG21 THR A 434 -4.994 -30.045 -77.996 1.00 25.00 H new ATOM 0 HG22 THR A 434 -5.010 -30.352 -76.243 1.00 25.00 H new ATOM 0 HG23 THR A 434 -5.265 -28.702 -76.860 1.00 25.00 H new ATOM 335 N ARG A 435 -1.991 -30.681 -74.273 1.00 25.00 N ATOM 336 CA ARG A 435 -2.057 -31.688 -73.207 1.00 25.00 C ATOM 337 C ARG A 435 -2.007 -30.981 -71.870 1.00 25.00 C ATOM 338 O ARG A 435 -2.699 -31.347 -70.921 1.00 25.00 O ATOM 339 CB ARG A 435 -0.884 -32.662 -73.315 1.00 25.00 C ATOM 340 CG ARG A 435 -0.823 -33.338 -74.656 1.00 25.00 C ATOM 341 CD ARG A 435 0.338 -34.306 -74.761 1.00 25.00 C ATOM 342 NE ARG A 435 0.569 -34.684 -76.164 1.00 25.00 N ATOM 343 CZ ARG A 435 1.423 -35.612 -76.582 1.00 25.00 C ATOM 344 NH1 ARG A 435 2.166 -36.306 -75.752 1.00 25.00 N ATOM 345 NH2 ARG A 435 1.534 -35.844 -77.860 1.00 25.00 N ATOM 0 H ARG A 435 -1.123 -30.679 -74.808 1.00 25.00 H new ATOM 0 HA ARG A 435 -2.984 -32.254 -73.302 1.00 25.00 H new ATOM 0 HB2 ARG A 435 0.048 -32.125 -73.139 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -0.969 -33.417 -72.534 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -1.756 -33.873 -74.833 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -0.735 -32.583 -75.437 1.00 25.00 H new ATOM 0 HD2 ARG A 435 1.238 -33.850 -74.348 1.00 25.00 H new ATOM 0 HD3 ARG A 435 0.131 -35.197 -74.168 1.00 25.00 H new ATOM 0 HE ARG A 435 0.028 -34.192 -76.875 1.00 25.00 H new ATOM 0 HH11 ARG A 435 2.099 -36.141 -74.748 1.00 25.00 H new ATOM 0 HH12 ARG A 435 2.810 -37.010 -76.111 1.00 25.00 H new ATOM 0 HH21 ARG A 435 0.969 -35.316 -78.525 1.00 25.00 H new ATOM 0 HH22 ARG A 435 2.186 -36.554 -78.195 1.00 25.00 H new ATOM 359 N GLN A 436 -1.182 -29.952 -71.814 1.00 25.00 N ATOM 360 CA GLN A 436 -1.009 -29.174 -70.595 1.00 25.00 C ATOM 361 C GLN A 436 -2.281 -28.454 -70.156 1.00 25.00 C ATOM 362 O GLN A 436 -2.583 -28.437 -68.978 1.00 25.00 O ATOM 363 CB GLN A 436 0.122 -28.185 -70.750 1.00 25.00 C ATOM 364 CG GLN A 436 1.410 -28.806 -70.304 1.00 25.00 C ATOM 365 CD GLN A 436 2.586 -28.014 -70.722 1.00 25.00 C ATOM 366 OE1 GLN A 436 3.009 -27.094 -70.045 1.00 25.00 O ATOM 367 NE2 GLN A 436 3.131 -28.368 -71.837 1.00 25.00 N ATOM 0 H GLN A 436 -0.617 -29.632 -72.601 1.00 25.00 H new ATOM 0 HA GLN A 436 -0.764 -29.888 -69.809 1.00 25.00 H new ATOM 0 HB2 GLN A 436 0.201 -27.871 -71.791 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -0.083 -27.290 -70.162 1.00 25.00 H new ATOM 0 HG2 GLN A 436 1.407 -28.904 -69.218 1.00 25.00 H new ATOM 0 HG3 GLN A 436 1.487 -29.813 -70.715 1.00 25.00 H new ATOM 0 HE21 GLN A 436 2.742 -29.145 -72.371 1.00 25.00 H new ATOM 0 HE22 GLN A 436 3.951 -27.871 -72.185 1.00 25.00 H new ATOM 376 N VAL A 437 -3.030 -27.873 -71.085 1.00 25.00 N ATOM 377 CA VAL A 437 -4.266 -27.164 -70.734 1.00 25.00 C ATOM 378 C VAL A 437 -5.411 -28.102 -70.369 1.00 25.00 C ATOM 379 O VAL A 437 -6.235 -27.776 -69.519 1.00 25.00 O ATOM 380 CB VAL A 437 -4.744 -26.207 -71.880 1.00 25.00 C ATOM 381 CG1 VAL A 437 -3.741 -25.059 -72.061 1.00 25.00 C ATOM 382 CG2 VAL A 437 -4.954 -26.923 -73.199 1.00 25.00 C ATOM 0 H VAL A 437 -2.810 -27.875 -72.081 1.00 25.00 H new ATOM 0 HA VAL A 437 -4.008 -26.576 -69.853 1.00 25.00 H new ATOM 0 HB VAL A 437 -5.713 -25.811 -71.576 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -4.082 -24.400 -72.859 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -3.663 -24.494 -71.132 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -2.764 -25.467 -72.320 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -5.284 -26.208 -73.953 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -4.017 -27.380 -73.518 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -5.712 -27.697 -73.076 1.00 25.00 H new ATOM 392 N LEU A 438 -5.461 -29.263 -71.003 1.00 25.00 N ATOM 393 CA LEU A 438 -6.511 -30.244 -70.719 1.00 25.00 C ATOM 394 C LEU A 438 -6.372 -30.821 -69.316 1.00 25.00 C ATOM 395 O LEU A 438 -7.364 -31.003 -68.616 1.00 25.00 O ATOM 396 CB LEU A 438 -6.473 -31.383 -71.744 1.00 25.00 C ATOM 397 CG LEU A 438 -7.006 -31.039 -73.147 1.00 25.00 C ATOM 398 CD1 LEU A 438 -6.695 -32.189 -74.104 1.00 25.00 C ATOM 399 CD2 LEU A 438 -8.513 -30.769 -73.132 1.00 25.00 C ATOM 0 H LEU A 438 -4.792 -29.554 -71.716 1.00 25.00 H new ATOM 0 HA LEU A 438 -7.467 -29.725 -70.786 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -5.443 -31.725 -71.841 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -7.051 -32.220 -71.351 1.00 25.00 H new ATOM 0 HG LEU A 438 -6.511 -30.128 -73.483 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -7.072 -31.947 -75.098 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -5.617 -32.341 -74.152 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -7.174 -33.100 -73.746 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -8.850 -30.530 -74.141 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -9.038 -31.655 -72.774 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -8.726 -29.930 -72.470 1.00 25.00 H new ATOM 720 N ALA A 462 -18.278 -33.084 -45.810 1.00 25.00 N ATOM 721 CA ALA A 462 -17.186 -33.419 -44.908 1.00 25.00 C ATOM 722 C ALA A 462 -17.721 -33.952 -43.571 1.00 25.00 C ATOM 723 O ALA A 462 -17.131 -34.858 -42.984 1.00 25.00 O ATOM 724 CB ALA A 462 -16.305 -32.188 -44.677 1.00 25.00 C ATOM 0 HA ALA A 462 -16.587 -34.205 -45.368 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.490 -32.446 -44.001 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.894 -31.851 -45.629 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.903 -31.390 -44.237 1.00 25.00 H new ATOM 730 N LEU A 463 -18.836 -33.409 -43.092 1.00 25.00 N ATOM 731 CA LEU A 463 -19.409 -33.857 -41.824 1.00 25.00 C ATOM 732 C LEU A 463 -19.842 -35.314 -41.931 1.00 25.00 C ATOM 733 O LEU A 463 -19.741 -36.054 -40.969 1.00 25.00 O ATOM 734 CB LEU A 463 -20.561 -32.930 -41.380 1.00 25.00 C ATOM 735 CG LEU A 463 -22.033 -33.315 -41.637 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.594 -34.256 -40.570 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.883 -32.058 -41.659 1.00 25.00 C ATOM 0 H LEU A 463 -19.358 -32.665 -43.556 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.646 -33.798 -41.047 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.453 -32.778 -40.306 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.395 -31.964 -41.857 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.063 -33.836 -42.594 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.632 -34.492 -40.803 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.008 -35.175 -40.551 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.542 -33.772 -39.595 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.924 -32.326 -41.840 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.802 -31.547 -40.700 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.535 -31.397 -42.453 1.00 25.00 H new ATOM 749 N GLN A 464 -20.297 -35.743 -43.098 1.00 25.00 N ATOM 750 CA GLN A 464 -20.688 -37.147 -43.270 1.00 25.00 C ATOM 751 C GLN A 464 -19.479 -38.057 -43.070 1.00 25.00 C ATOM 752 O GLN A 464 -19.597 -39.157 -42.529 1.00 25.00 O ATOM 753 CB GLN A 464 -21.308 -37.382 -44.649 1.00 25.00 C ATOM 754 CG GLN A 464 -22.619 -36.632 -44.865 1.00 25.00 C ATOM 755 CD GLN A 464 -23.679 -37.003 -43.845 1.00 25.00 C ATOM 756 OE1 GLN A 464 -24.121 -36.176 -43.070 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.085 -38.248 -43.840 1.00 25.00 N ATOM 0 H GLN A 464 -20.406 -35.160 -43.928 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.440 -37.385 -42.518 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.595 -37.078 -45.415 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.484 -38.450 -44.782 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.432 -35.559 -44.815 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.994 -36.844 -45.866 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -23.693 -38.915 -44.504 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.794 -38.551 -43.172 1.00 25.00 H new ATOM 766 N GLY A 465 -18.315 -37.581 -43.477 1.00 25.00 N ATOM 767 CA GLY A 465 -17.088 -38.319 -43.256 1.00 25.00 C ATOM 768 C GLY A 465 -16.789 -38.316 -41.774 1.00 25.00 C ATOM 769 O GLY A 465 -16.470 -39.349 -41.207 1.00 25.00 O ATOM 0 H GLY A 465 -18.196 -36.691 -43.960 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.190 -39.341 -43.620 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.267 -37.864 -43.809 1.00 25.00 H new ATOM 773 N ALA A 466 -16.918 -37.154 -41.143 1.00 25.00 N ATOM 774 CA ALA A 466 -16.665 -37.008 -39.707 1.00 25.00 C ATOM 775 C ALA A 466 -17.500 -37.998 -38.881 1.00 25.00 C ATOM 776 O ALA A 466 -17.020 -38.555 -37.904 1.00 25.00 O ATOM 777 CB ALA A 466 -16.953 -35.569 -39.264 1.00 25.00 C ATOM 0 H ALA A 466 -17.199 -36.289 -41.606 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.614 -37.234 -39.529 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.762 -35.472 -38.195 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.307 -34.883 -39.812 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.996 -35.327 -39.469 1.00 25.00 H new ATOM 783 N GLN A 467 -18.740 -38.219 -39.282 1.00 25.00 N ATOM 784 CA GLN A 467 -19.615 -39.168 -38.591 1.00 25.00 C ATOM 785 C GLN A 467 -19.075 -40.594 -38.701 1.00 25.00 C ATOM 786 O GLN A 467 -19.033 -41.336 -37.720 1.00 25.00 O ATOM 787 CB GLN A 467 -20.998 -39.142 -39.232 1.00 25.00 C ATOM 788 CG GLN A 467 -21.754 -37.818 -39.088 1.00 25.00 C ATOM 789 CD GLN A 467 -22.336 -37.587 -37.713 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.541 -38.506 -36.938 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.614 -36.346 -37.412 1.00 25.00 N ATOM 0 H GLN A 467 -19.170 -37.757 -40.083 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.663 -38.877 -37.542 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.894 -39.370 -40.293 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.601 -39.937 -38.792 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.077 -36.998 -39.327 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.560 -37.790 -39.821 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.428 -35.604 -38.087 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -23.017 -36.120 -36.503 1.00 25.00 H new ATOM 800 N ALA A 468 -18.673 -40.980 -39.905 1.00 25.00 N ATOM 801 CA ALA A 468 -18.183 -42.333 -40.143 1.00 25.00 C ATOM 802 C ALA A 468 -16.864 -42.576 -39.406 1.00 25.00 C ATOM 803 O ALA A 468 -16.675 -43.617 -38.773 1.00 25.00 O ATOM 804 CB ALA A 468 -18.004 -42.561 -41.652 1.00 25.00 C ATOM 0 H ALA A 468 -18.676 -40.379 -40.729 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.916 -43.041 -39.758 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.638 -43.573 -41.826 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.962 -42.430 -42.156 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.285 -41.842 -42.046 1.00 25.00 H new ATOM 810 N VAL A 469 -15.952 -41.618 -39.480 1.00 25.00 N ATOM 811 CA VAL A 469 -14.656 -41.773 -38.829 1.00 25.00 C ATOM 812 C VAL A 469 -14.807 -41.728 -37.320 1.00 25.00 C ATOM 813 O VAL A 469 -14.020 -42.332 -36.624 1.00 25.00 O ATOM 814 CB VAL A 469 -13.595 -40.730 -39.300 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.450 -40.775 -40.821 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.953 -39.328 -38.858 1.00 25.00 C ATOM 0 H VAL A 469 -16.080 -40.736 -39.976 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.281 -42.752 -39.129 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.645 -40.995 -38.836 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.707 -40.043 -41.137 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.131 -41.771 -41.127 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.409 -40.543 -41.285 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.190 -38.631 -39.205 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.919 -39.049 -39.280 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.009 -39.293 -37.770 1.00 25.00 H new ATOM 826 N ALA A 470 -15.811 -41.030 -36.805 1.00 25.00 N ATOM 827 CA ALA A 470 -16.016 -40.944 -35.355 1.00 25.00 C ATOM 828 C ALA A 470 -16.173 -42.336 -34.738 1.00 25.00 C ATOM 829 O ALA A 470 -15.721 -42.579 -33.616 1.00 25.00 O ATOM 830 CB ALA A 470 -17.240 -40.080 -35.033 1.00 25.00 C ATOM 0 H ALA A 470 -16.495 -40.516 -37.361 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.133 -40.475 -34.920 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.375 -40.029 -33.953 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.090 -39.075 -35.428 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.127 -40.521 -35.489 1.00 25.00 H new ATOM 836 N ALA A 471 -16.793 -43.253 -35.470 1.00 25.00 N ATOM 837 CA ALA A 471 -16.950 -44.623 -34.992 1.00 25.00 C ATOM 838 C ALA A 471 -15.572 -45.291 -34.869 1.00 25.00 C ATOM 839 O ALA A 471 -15.325 -46.049 -33.939 1.00 25.00 O ATOM 840 CB ALA A 471 -17.852 -45.415 -35.944 1.00 25.00 C ATOM 0 H ALA A 471 -17.193 -43.076 -36.391 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.420 -44.608 -34.009 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.962 -46.435 -35.577 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.832 -44.941 -35.996 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.405 -45.433 -36.938 1.00 25.00 H new ATOM 846 N ALA A 472 -14.679 -44.991 -35.802 1.00 25.00 N ATOM 847 CA ALA A 472 -13.318 -45.518 -35.760 1.00 25.00 C ATOM 848 C ALA A 472 -12.504 -44.835 -34.654 1.00 25.00 C ATOM 849 O ALA A 472 -11.677 -45.464 -34.015 1.00 25.00 O ATOM 850 CB ALA A 472 -12.636 -45.336 -37.124 1.00 25.00 C ATOM 0 H ALA A 472 -14.871 -44.385 -36.599 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.367 -46.583 -35.534 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.622 -45.733 -37.080 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.202 -45.870 -37.888 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.600 -44.276 -37.374 1.00 25.00 H new ATOM 856 N GLN A 473 -12.735 -43.551 -34.428 1.00 25.00 N ATOM 857 CA GLN A 473 -12.007 -42.815 -33.396 1.00 25.00 C ATOM 858 C GLN A 473 -12.353 -43.310 -31.999 1.00 25.00 C ATOM 859 O GLN A 473 -11.475 -43.545 -31.174 1.00 25.00 O ATOM 860 CB GLN A 473 -12.315 -41.311 -33.459 1.00 25.00 C ATOM 861 CG GLN A 473 -11.940 -40.615 -34.768 1.00 25.00 C ATOM 862 CD GLN A 473 -10.455 -40.421 -34.965 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.654 -40.646 -34.074 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.085 -40.000 -36.146 1.00 25.00 N ATOM 0 H GLN A 473 -13.418 -42.995 -34.942 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.948 -42.987 -33.591 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.382 -41.169 -33.285 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.790 -40.816 -32.642 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.332 -41.198 -35.601 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.429 -39.642 -34.802 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.785 -39.823 -36.867 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.096 -39.849 -36.347 1.00 25.00 H new ATOM 873 N ARG A 474 -13.637 -43.483 -31.718 1.00 25.00 N ATOM 874 CA ARG A 474 -14.041 -43.985 -30.398 1.00 25.00 C ATOM 875 C ARG A 474 -13.524 -45.410 -30.214 1.00 25.00 C ATOM 876 O ARG A 474 -13.270 -45.851 -29.100 1.00 25.00 O ATOM 877 CB ARG A 474 -15.562 -43.900 -30.202 1.00 25.00 C ATOM 878 CG ARG A 474 -16.395 -44.786 -31.112 1.00 25.00 C ATOM 879 CD ARG A 474 -17.883 -44.443 -31.020 1.00 25.00 C ATOM 880 NE ARG A 474 -18.416 -44.591 -29.651 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.866 -45.721 -29.114 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.872 -46.859 -29.766 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.320 -45.704 -27.892 1.00 25.00 N ATOM 0 H ARG A 474 -14.404 -43.291 -32.362 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.596 -43.352 -29.630 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.791 -44.156 -29.168 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.871 -42.865 -30.350 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.057 -44.671 -32.142 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.244 -45.831 -30.842 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.037 -43.418 -31.357 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.443 -45.089 -31.696 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.441 -43.755 -29.067 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -18.522 -46.900 -30.723 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -19.226 -47.703 -29.316 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.326 -44.832 -27.362 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -19.669 -46.562 -27.466 1.00 25.00 H new ATOM 897 N LEU A 475 -13.353 -46.107 -31.326 1.00 25.00 N ATOM 898 CA LEU A 475 -12.797 -47.454 -31.321 1.00 25.00 C ATOM 899 C LEU A 475 -11.292 -47.427 -31.016 1.00 25.00 C ATOM 900 O LEU A 475 -10.845 -48.148 -30.137 1.00 25.00 O ATOM 901 CB LEU A 475 -13.075 -48.124 -32.681 1.00 25.00 C ATOM 902 CG LEU A 475 -12.011 -49.052 -33.287 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.870 -50.352 -32.478 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.374 -49.393 -34.721 1.00 25.00 C ATOM 0 H LEU A 475 -13.594 -45.759 -32.254 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.276 -48.035 -30.533 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.995 -48.700 -32.582 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.271 -47.332 -33.404 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.058 -48.523 -33.260 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.109 -50.984 -32.935 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.578 -50.114 -31.455 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.823 -50.880 -32.469 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.614 -50.051 -35.142 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.341 -49.895 -34.742 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.428 -48.478 -35.310 1.00 25.00 H new ATOM 916 N VAL A 476 -10.507 -46.623 -31.728 1.00 25.00 N ATOM 917 CA VAL A 476 -9.051 -46.622 -31.527 1.00 25.00 C ATOM 918 C VAL A 476 -8.727 -46.178 -30.110 1.00 25.00 C ATOM 919 O VAL A 476 -7.794 -46.677 -29.478 1.00 25.00 O ATOM 920 CB VAL A 476 -8.293 -45.775 -32.604 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.648 -44.309 -32.551 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.782 -45.955 -32.465 1.00 25.00 C ATOM 0 H VAL A 476 -10.842 -45.972 -32.439 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.691 -47.642 -31.659 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.615 -46.148 -33.576 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.092 -43.772 -33.320 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.717 -44.187 -32.724 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.391 -43.908 -31.571 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.273 -45.358 -33.222 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.466 -45.629 -31.474 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.527 -47.006 -32.600 1.00 25.00 H new ATOM 932 N HIS A 477 -9.525 -45.259 -29.596 1.00 25.00 N ATOM 933 CA HIS A 477 -9.358 -44.775 -28.245 1.00 25.00 C ATOM 934 C HIS A 477 -9.553 -45.906 -27.240 1.00 25.00 C ATOM 935 O HIS A 477 -8.880 -45.947 -26.225 1.00 25.00 O ATOM 936 CB HIS A 477 -10.351 -43.649 -27.990 1.00 25.00 C ATOM 937 CG HIS A 477 -10.033 -42.839 -26.773 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.908 -41.983 -26.155 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.883 -42.750 -26.051 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.284 -41.427 -25.118 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.045 -41.860 -25.008 1.00 25.00 N ATOM 0 H HIS A 477 -10.301 -44.832 -30.102 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.344 -44.394 -28.122 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.374 -42.991 -28.859 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.350 -44.073 -27.884 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.976 -43.296 -26.263 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.738 -40.710 -24.450 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.355 -41.595 -24.305 1.00 25.00 H new ATOM 949 N ALA A 478 -10.455 -46.835 -27.527 1.00 25.00 N ATOM 950 CA ALA A 478 -10.686 -47.956 -26.625 1.00 25.00 C ATOM 951 C ALA A 478 -9.405 -48.783 -26.465 1.00 25.00 C ATOM 952 O ALA A 478 -9.047 -49.174 -25.360 1.00 25.00 O ATOM 953 CB ALA A 478 -11.829 -48.831 -27.147 1.00 25.00 C ATOM 0 H ALA A 478 -11.033 -46.836 -28.367 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.969 -47.566 -25.647 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -11.991 -49.664 -26.463 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.740 -48.236 -27.216 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.571 -49.216 -28.134 1.00 25.00 H new ATOM 959 N ILE A 479 -8.708 -49.039 -27.563 1.00 25.00 N ATOM 960 CA ILE A 479 -7.473 -49.822 -27.508 1.00 25.00 C ATOM 961 C ILE A 479 -6.384 -49.008 -26.841 1.00 25.00 C ATOM 962 O ILE A 479 -5.566 -49.549 -26.122 1.00 25.00 O ATOM 963 CB ILE A 479 -6.992 -50.237 -28.910 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.102 -51.000 -29.633 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.728 -51.129 -28.842 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.463 -50.346 -30.888 1.00 25.00 C ATOM 0 H ILE A 479 -8.970 -48.721 -28.496 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.684 -50.726 -26.936 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.741 -49.327 -29.454 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.775 -52.020 -29.833 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -8.979 -51.067 -28.990 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.420 -51.401 -29.852 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -4.923 -50.582 -28.352 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -5.951 -52.033 -28.275 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.255 -50.912 -31.379 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.814 -49.334 -30.683 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.590 -50.303 -31.540 1.00 25.00 H new ATOM 978 N ALA A 480 -6.389 -47.702 -27.059 1.00 25.00 N ATOM 979 CA ALA A 480 -5.394 -46.825 -26.455 1.00 25.00 C ATOM 980 C ALA A 480 -5.449 -46.942 -24.920 1.00 25.00 C ATOM 981 O ALA A 480 -4.456 -46.727 -24.221 1.00 25.00 O ATOM 982 CB ALA A 480 -5.623 -45.376 -26.911 1.00 25.00 C ATOM 0 H ALA A 480 -7.070 -47.225 -27.649 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.400 -47.129 -26.782 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.875 -44.728 -26.454 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.539 -45.319 -27.996 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.618 -45.052 -26.606 1.00 25.00 H new ATOM 988 N LEU A 481 -6.614 -47.295 -24.395 1.00 25.00 N ATOM 989 CA LEU A 481 -6.753 -47.520 -22.952 1.00 25.00 C ATOM 990 C LEU A 481 -6.177 -48.870 -22.590 1.00 25.00 C ATOM 991 O LEU A 481 -5.475 -49.015 -21.607 1.00 25.00 O ATOM 992 CB LEU A 481 -8.211 -47.461 -22.523 1.00 25.00 C ATOM 993 CG LEU A 481 -8.823 -46.117 -22.887 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.329 -46.262 -22.991 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.457 -45.023 -21.887 1.00 25.00 C ATOM 0 H LEU A 481 -7.470 -47.432 -24.933 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.210 -46.731 -22.432 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.770 -48.263 -23.005 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.286 -47.621 -21.447 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.414 -45.811 -23.850 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.770 -45.300 -23.252 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.572 -46.993 -23.762 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.729 -46.597 -22.034 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.918 -44.083 -22.191 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.817 -45.300 -20.896 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.374 -44.903 -21.859 1.00 25.00 H new ATOM 1007 N MET A 482 -6.467 -49.872 -23.400 1.00 25.00 N ATOM 1008 CA MET A 482 -5.971 -51.219 -23.139 1.00 25.00 C ATOM 1009 C MET A 482 -4.458 -51.255 -23.169 1.00 25.00 C ATOM 1010 O MET A 482 -3.835 -52.076 -22.502 1.00 25.00 O ATOM 1011 CB MET A 482 -6.513 -52.199 -24.176 1.00 25.00 C ATOM 1012 CG MET A 482 -8.002 -52.192 -24.204 1.00 25.00 C ATOM 1013 SD MET A 482 -8.723 -53.701 -24.882 1.00 25.00 S ATOM 1014 CE MET A 482 -8.501 -53.444 -26.639 1.00 25.00 C ATOM 0 H MET A 482 -7.039 -49.784 -24.240 1.00 25.00 H new ATOM 0 HA MET A 482 -6.315 -51.510 -22.146 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.128 -51.938 -25.162 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.157 -53.204 -23.950 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.375 -52.046 -23.190 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.341 -51.341 -24.794 1.00 25.00 H new ATOM 0 HE1 MET A 482 -8.819 -54.335 -27.180 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.099 -52.591 -26.960 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.449 -53.249 -26.848 1.00 25.00 H new ATOM 1024 N THR A 483 -3.861 -50.359 -23.933 1.00 25.00 N ATOM 1025 CA THR A 483 -2.404 -50.371 -24.083 1.00 25.00 C ATOM 1026 C THR A 483 -1.698 -49.748 -22.889 1.00 25.00 C ATOM 1027 O THR A 483 -0.505 -49.942 -22.705 1.00 25.00 O ATOM 1028 CB THR A 483 -1.972 -49.689 -25.386 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.556 -48.390 -25.472 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.450 -50.498 -26.574 1.00 25.00 C ATOM 0 H THR A 483 -4.343 -49.625 -24.452 1.00 25.00 H new ATOM 0 HA THR A 483 -2.103 -51.417 -24.129 1.00 25.00 H new ATOM 0 HB THR A 483 -0.885 -49.615 -25.392 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.275 -47.959 -26.306 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.140 -50.008 -27.497 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.018 -51.498 -26.531 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.537 -50.572 -26.550 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.441 -49.023 -22.065 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.884 -48.440 -20.844 1.00 25.00 C ATOM 1040 C GLN A 484 -2.388 -49.166 -19.587 1.00 25.00 C ATOM 1041 O GLN A 484 -1.706 -49.185 -18.563 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.162 -46.927 -20.775 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.631 -46.543 -20.780 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.839 -45.053 -20.853 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.685 -44.346 -19.873 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.200 -44.570 -22.013 1.00 25.00 N ATOM 0 H GLN A 484 -3.430 -48.822 -22.216 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.803 -48.576 -20.879 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.701 -46.529 -19.871 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.673 -46.444 -21.621 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.124 -47.017 -21.629 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.107 -46.929 -19.879 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.319 -45.194 -22.811 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.363 -43.569 -22.120 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.564 -49.778 -19.656 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.096 -50.536 -18.541 1.00 25.00 C ATOM 1057 C PHE A 485 -3.556 -51.965 -18.507 1.00 25.00 C ATOM 1058 O PHE A 485 -3.449 -52.555 -17.439 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.620 -50.576 -18.632 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.298 -49.424 -17.933 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.498 -48.191 -18.588 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.743 -49.567 -16.606 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.129 -47.111 -17.927 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.381 -48.493 -15.934 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.574 -47.264 -16.598 1.00 25.00 C ATOM 0 H PHE A 485 -4.167 -49.761 -20.479 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.781 -50.038 -17.624 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.913 -50.576 -19.682 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.977 -51.512 -18.202 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.165 -48.070 -19.608 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.597 -50.506 -16.093 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.270 -46.171 -18.440 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.718 -48.616 -14.915 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.060 -46.444 -16.091 1.00 25.00 H new