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 -114:sc= 0 (180deg=-0.626) USER MOD Single : A 433 MET CE :methyl 150:sc= 0 (180deg=-0.147) USER MOD Single : A 434 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A 436 GLN : amide:sc= 0.276 X(o=0.28,f=0) USER MOD Single : A 464 GLN : amide:sc=-0.00714 X(o=-0.0071,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.44) USER MOD Single : A 473 GLN : amide:sc=-0.00555 K(o=-0.0056,f=-0.79) USER MOD Single : A 477 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot -80:sc= 0.116 USER MOD Single : A 484 GLN : amide:sc= 0.289 X(o=0.29,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 8.522 29.376 -26.185 1.00 25.00 N ATOM 114 CA GLU A 419 8.064 28.343 -25.255 1.00 25.00 C ATOM 115 C GLU A 419 6.723 27.821 -25.749 1.00 25.00 C ATOM 116 O GLU A 419 6.456 26.635 -25.706 1.00 25.00 O ATOM 117 CB GLU A 419 7.915 28.920 -23.839 1.00 25.00 C ATOM 118 CG GLU A 419 9.236 29.411 -23.238 1.00 25.00 C ATOM 119 CD GLU A 419 9.042 30.168 -21.926 1.00 25.00 C ATOM 120 OE1 GLU A 419 9.534 29.706 -20.882 1.00 25.00 O ATOM 121 OE2 GLU A 419 8.404 31.248 -21.951 1.00 25.00 O ATOM 0 HA GLU A 419 8.793 27.534 -25.213 1.00 25.00 H new ATOM 0 HB2 GLU A 419 7.207 29.748 -23.865 1.00 25.00 H new ATOM 0 HB3 GLU A 419 7.490 28.157 -23.187 1.00 25.00 H new ATOM 0 HG2 GLU A 419 9.892 28.557 -23.066 1.00 25.00 H new ATOM 0 HG3 GLU A 419 9.738 30.059 -23.956 1.00 25.00 H new ATOM 128 N VAL A 420 5.887 28.724 -26.242 1.00 25.00 N ATOM 129 CA VAL A 420 4.575 28.349 -26.773 1.00 25.00 C ATOM 130 C VAL A 420 4.744 27.521 -28.044 1.00 25.00 C ATOM 131 O VAL A 420 3.969 26.617 -28.316 1.00 25.00 O ATOM 132 CB VAL A 420 3.713 29.613 -27.076 1.00 25.00 C ATOM 133 CG1 VAL A 420 2.330 29.235 -27.638 1.00 25.00 C ATOM 134 CG2 VAL A 420 3.531 30.432 -25.801 1.00 25.00 C ATOM 0 H VAL A 420 6.090 29.723 -26.287 1.00 25.00 H new ATOM 0 HA VAL A 420 4.060 27.754 -26.019 1.00 25.00 H new ATOM 0 HB VAL A 420 4.239 30.201 -27.828 1.00 25.00 H new ATOM 0 HG11 VAL A 420 1.758 30.141 -27.837 1.00 25.00 H new ATOM 0 HG12 VAL A 420 2.455 28.674 -28.564 1.00 25.00 H new ATOM 0 HG13 VAL A 420 1.797 28.622 -26.911 1.00 25.00 H new ATOM 0 HG21 VAL A 420 2.928 31.314 -26.018 1.00 25.00 H new ATOM 0 HG22 VAL A 420 3.029 29.825 -25.048 1.00 25.00 H new ATOM 0 HG23 VAL A 420 4.506 30.742 -25.426 1.00 25.00 H new ATOM 144 N SER A 421 5.774 27.824 -28.817 1.00 25.00 N ATOM 145 CA SER A 421 6.023 27.091 -30.052 1.00 25.00 C ATOM 146 C SER A 421 6.396 25.642 -29.767 1.00 25.00 C ATOM 147 O SER A 421 5.966 24.734 -30.470 1.00 25.00 O ATOM 148 CB SER A 421 7.154 27.744 -30.832 1.00 25.00 C ATOM 149 OG SER A 421 6.824 29.081 -31.187 1.00 25.00 O ATOM 0 H SER A 421 6.446 28.564 -28.616 1.00 25.00 H new ATOM 0 HA SER A 421 5.104 27.113 -30.638 1.00 25.00 H new ATOM 0 HB2 SER A 421 8.065 27.737 -30.233 1.00 25.00 H new ATOM 0 HB3 SER A 421 7.361 27.166 -31.732 1.00 25.00 H new ATOM 0 HG SER A 421 7.567 29.480 -31.686 1.00 25.00 H new ATOM 155 N ASP A 422 7.188 25.430 -28.727 1.00 25.00 N ATOM 156 CA ASP A 422 7.602 24.080 -28.349 1.00 25.00 C ATOM 157 C ASP A 422 6.429 23.367 -27.686 1.00 25.00 C ATOM 158 O ASP A 422 6.215 22.179 -27.867 1.00 25.00 O ATOM 159 CB ASP A 422 8.786 24.152 -27.386 1.00 25.00 C ATOM 160 CG ASP A 422 9.466 22.808 -27.196 1.00 25.00 C ATOM 161 OD1 ASP A 422 9.822 22.478 -26.045 1.00 25.00 O ATOM 162 OD2 ASP A 422 9.660 22.090 -28.200 1.00 25.00 O ATOM 0 H ASP A 422 7.558 26.170 -28.130 1.00 25.00 H new ATOM 0 HA ASP A 422 7.908 23.526 -29.237 1.00 25.00 H new ATOM 0 HB2 ASP A 422 9.512 24.873 -27.762 1.00 25.00 H new ATOM 0 HB3 ASP A 422 8.442 24.521 -26.420 1.00 25.00 H new ATOM 167 N MET A 423 5.651 24.123 -26.928 1.00 25.00 N ATOM 168 CA MET A 423 4.485 23.580 -26.225 1.00 25.00 C ATOM 169 C MET A 423 3.465 23.060 -27.235 1.00 25.00 C ATOM 170 O MET A 423 2.833 22.036 -27.020 1.00 25.00 O ATOM 171 CB MET A 423 3.867 24.668 -25.336 1.00 25.00 C ATOM 172 CG MET A 423 2.677 24.222 -24.497 1.00 25.00 C ATOM 173 SD MET A 423 2.207 25.499 -23.277 1.00 25.00 S ATOM 174 CE MET A 423 1.569 26.844 -24.326 1.00 25.00 C ATOM 0 H MET A 423 5.802 25.121 -26.779 1.00 25.00 H new ATOM 0 HA MET A 423 4.795 22.748 -25.592 1.00 25.00 H new ATOM 0 HB2 MET A 423 4.639 25.051 -24.668 1.00 25.00 H new ATOM 0 HB3 MET A 423 3.554 25.498 -25.970 1.00 25.00 H new ATOM 0 HG2 MET A 423 1.829 24.009 -25.149 1.00 25.00 H new ATOM 0 HG3 MET A 423 2.922 23.294 -23.979 1.00 25.00 H new ATOM 0 HE1 MET A 423 2.227 27.710 -24.248 1.00 25.00 H new ATOM 0 HE2 MET A 423 1.531 26.510 -25.363 1.00 25.00 H new ATOM 0 HE3 MET A 423 0.567 27.119 -23.996 1.00 25.00 H new ATOM 184 N ALA A 424 3.329 23.759 -28.350 1.00 25.00 N ATOM 185 CA ALA A 424 2.399 23.360 -29.401 1.00 25.00 C ATOM 186 C ALA A 424 2.815 22.016 -30.016 1.00 25.00 C ATOM 187 O ALA A 424 1.969 21.236 -30.456 1.00 25.00 O ATOM 188 CB ALA A 424 2.339 24.445 -30.481 1.00 25.00 C ATOM 0 H ALA A 424 3.853 24.610 -28.554 1.00 25.00 H new ATOM 0 HA ALA A 424 1.409 23.239 -28.962 1.00 25.00 H new ATOM 0 HB1 ALA A 424 1.643 24.142 -31.263 1.00 25.00 H new ATOM 0 HB2 ALA A 424 2.001 25.381 -30.038 1.00 25.00 H new ATOM 0 HB3 ALA A 424 3.330 24.585 -30.912 1.00 25.00 H new ATOM 194 N ALA A 425 4.112 21.742 -30.037 1.00 25.00 N ATOM 195 CA ALA A 425 4.605 20.475 -30.563 1.00 25.00 C ATOM 196 C ALA A 425 4.195 19.351 -29.607 1.00 25.00 C ATOM 197 O ALA A 425 3.803 18.270 -30.040 1.00 25.00 O ATOM 198 CB ALA A 425 6.134 20.522 -30.733 1.00 25.00 C ATOM 0 H ALA A 425 4.838 22.374 -29.699 1.00 25.00 H new ATOM 0 HA ALA A 425 4.170 20.289 -31.545 1.00 25.00 H new ATOM 0 HB1 ALA A 425 6.486 19.568 -31.127 1.00 25.00 H new ATOM 0 HB2 ALA A 425 6.399 21.320 -31.426 1.00 25.00 H new ATOM 0 HB3 ALA A 425 6.602 20.711 -29.767 1.00 25.00 H new ATOM 204 N VAL A 426 4.274 19.620 -28.310 1.00 25.00 N ATOM 205 CA VAL A 426 3.873 18.648 -27.293 1.00 25.00 C ATOM 206 C VAL A 426 2.370 18.409 -27.386 1.00 25.00 C ATOM 207 O VAL A 426 1.920 17.274 -27.333 1.00 25.00 O ATOM 208 CB VAL A 426 4.227 19.152 -25.858 1.00 25.00 C ATOM 209 CG1 VAL A 426 3.838 18.115 -24.805 1.00 25.00 C ATOM 210 CG2 VAL A 426 5.725 19.462 -25.755 1.00 25.00 C ATOM 0 H VAL A 426 4.613 20.505 -27.934 1.00 25.00 H new ATOM 0 HA VAL A 426 4.415 17.720 -27.475 1.00 25.00 H new ATOM 0 HB VAL A 426 3.661 20.065 -25.672 1.00 25.00 H new ATOM 0 HG11 VAL A 426 4.094 18.489 -23.814 1.00 25.00 H new ATOM 0 HG12 VAL A 426 2.765 17.929 -24.856 1.00 25.00 H new ATOM 0 HG13 VAL A 426 4.377 17.186 -24.993 1.00 25.00 H new ATOM 0 HG21 VAL A 426 5.956 19.812 -24.749 1.00 25.00 H new ATOM 0 HG22 VAL A 426 6.299 18.559 -25.966 1.00 25.00 H new ATOM 0 HG23 VAL A 426 5.987 20.235 -26.477 1.00 25.00 H new ATOM 220 N GLU A 427 1.595 19.473 -27.544 1.00 25.00 N ATOM 221 CA GLU A 427 0.143 19.355 -27.668 1.00 25.00 C ATOM 222 C GLU A 427 -0.213 18.453 -28.850 1.00 25.00 C ATOM 223 O GLU A 427 -1.059 17.567 -28.735 1.00 25.00 O ATOM 224 CB GLU A 427 -0.487 20.737 -27.883 1.00 25.00 C ATOM 225 CG GLU A 427 -0.527 21.623 -26.640 1.00 25.00 C ATOM 226 CD GLU A 427 -1.049 23.026 -26.953 1.00 25.00 C ATOM 227 OE1 GLU A 427 -2.182 23.141 -27.475 1.00 25.00 O ATOM 228 OE2 GLU A 427 -0.326 24.014 -26.685 1.00 25.00 O ATOM 0 H GLU A 427 1.945 20.430 -27.590 1.00 25.00 H new ATOM 0 HA GLU A 427 -0.245 18.920 -26.747 1.00 25.00 H new ATOM 0 HB2 GLU A 427 0.068 21.256 -28.664 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -1.505 20.604 -28.250 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -1.162 21.160 -25.885 1.00 25.00 H new ATOM 0 HG3 GLU A 427 0.474 21.695 -26.214 1.00 25.00 H new ATOM 235 N ALA A 428 0.440 18.669 -29.983 1.00 25.00 N ATOM 236 CA ALA A 428 0.180 17.866 -31.173 1.00 25.00 C ATOM 237 C ALA A 428 0.581 16.403 -30.945 1.00 25.00 C ATOM 238 O ALA A 428 -0.112 15.481 -31.393 1.00 25.00 O ATOM 239 CB ALA A 428 0.943 18.449 -32.369 1.00 25.00 C ATOM 0 H ALA A 428 1.151 19.390 -30.105 1.00 25.00 H new ATOM 0 HA ALA A 428 -0.889 17.892 -31.384 1.00 25.00 H new ATOM 0 HB1 ALA A 428 0.746 17.846 -33.255 1.00 25.00 H new ATOM 0 HB2 ALA A 428 0.614 19.473 -32.546 1.00 25.00 H new ATOM 0 HB3 ALA A 428 2.012 18.443 -32.157 1.00 25.00 H new ATOM 245 N ALA A 429 1.696 16.200 -30.258 1.00 25.00 N ATOM 246 CA ALA A 429 2.190 14.859 -29.981 1.00 25.00 C ATOM 247 C ALA A 429 1.223 14.110 -29.063 1.00 25.00 C ATOM 248 O ALA A 429 0.905 12.962 -29.313 1.00 25.00 O ATOM 249 CB ALA A 429 3.586 14.931 -29.348 1.00 25.00 C ATOM 0 H ALA A 429 2.277 16.949 -29.881 1.00 25.00 H new ATOM 0 HA ALA A 429 2.261 14.312 -30.921 1.00 25.00 H new ATOM 0 HB1 ALA A 429 3.946 13.922 -29.145 1.00 25.00 H new ATOM 0 HB2 ALA A 429 4.271 15.430 -30.034 1.00 25.00 H new ATOM 0 HB3 ALA A 429 3.534 15.492 -28.415 1.00 25.00 H new ATOM 255 N GLU A 430 0.750 14.762 -28.012 1.00 25.00 N ATOM 256 CA GLU A 430 -0.175 14.130 -27.065 1.00 25.00 C ATOM 257 C GLU A 430 -1.463 13.758 -27.759 1.00 25.00 C ATOM 258 O GLU A 430 -2.014 12.674 -27.561 1.00 25.00 O ATOM 259 CB GLU A 430 -0.517 15.091 -25.935 1.00 25.00 C ATOM 260 CG GLU A 430 0.616 15.351 -24.993 1.00 25.00 C ATOM 261 CD GLU A 430 0.676 14.328 -23.862 1.00 25.00 C ATOM 262 OE1 GLU A 430 0.467 14.716 -22.692 1.00 25.00 O ATOM 263 OE2 GLU A 430 0.923 13.132 -24.146 1.00 25.00 O ATOM 0 H GLU A 430 0.987 15.728 -27.788 1.00 25.00 H new ATOM 0 HA GLU A 430 0.313 13.240 -26.669 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -0.844 16.038 -26.364 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -1.359 14.689 -25.372 1.00 25.00 H new ATOM 0 HG2 GLU A 430 1.556 15.334 -25.545 1.00 25.00 H new ATOM 0 HG3 GLU A 430 0.512 16.350 -24.571 1.00 25.00 H new ATOM 270 N LEU A 431 -1.940 14.666 -28.593 1.00 25.00 N ATOM 271 CA LEU A 431 -3.164 14.423 -29.354 1.00 25.00 C ATOM 272 C LEU A 431 -3.041 13.159 -30.204 1.00 25.00 C ATOM 273 O LEU A 431 -3.977 12.356 -30.259 1.00 25.00 O ATOM 274 CB LEU A 431 -3.497 15.623 -30.247 1.00 25.00 C ATOM 275 CG LEU A 431 -4.161 16.814 -29.535 1.00 25.00 C ATOM 276 CD1 LEU A 431 -4.152 18.031 -30.458 1.00 25.00 C ATOM 277 CD2 LEU A 431 -5.605 16.489 -29.125 1.00 25.00 C ATOM 0 H LEU A 431 -1.506 15.573 -28.763 1.00 25.00 H new ATOM 0 HA LEU A 431 -3.974 14.282 -28.639 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -2.577 15.970 -30.717 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -4.157 15.287 -31.047 1.00 25.00 H new ATOM 0 HG LEU A 431 -3.592 17.028 -28.630 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -4.623 18.874 -29.953 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -3.123 18.288 -30.711 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -4.703 17.800 -31.369 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -6.044 17.352 -28.625 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -6.190 16.248 -30.013 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -5.607 15.636 -28.446 1.00 25.00 H new ATOM 289 N GLU A 432 -1.910 12.950 -30.865 1.00 25.00 N ATOM 290 CA GLU A 432 -1.734 11.706 -31.614 1.00 25.00 C ATOM 291 C GLU A 432 -1.430 10.500 -30.721 1.00 25.00 C ATOM 292 O GLU A 432 -1.841 9.382 -31.039 1.00 25.00 O ATOM 293 CB GLU A 432 -0.766 11.841 -32.792 1.00 25.00 C ATOM 294 CG GLU A 432 0.706 11.953 -32.489 1.00 25.00 C ATOM 295 CD GLU A 432 1.519 12.003 -33.781 1.00 25.00 C ATOM 296 OE1 GLU A 432 2.764 12.001 -33.715 1.00 25.00 O ATOM 297 OE2 GLU A 432 0.894 12.033 -34.875 1.00 25.00 O ATOM 0 H GLU A 432 -1.124 13.599 -30.901 1.00 25.00 H new ATOM 0 HA GLU A 432 -2.707 11.499 -32.060 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -0.908 10.978 -33.442 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -1.057 12.722 -33.364 1.00 25.00 H new ATOM 0 HG2 GLU A 432 0.894 12.850 -31.900 1.00 25.00 H new ATOM 0 HG3 GLU A 432 1.024 11.103 -31.885 1.00 25.00 H new ATOM 304 N MET A 433 -0.741 10.710 -29.606 1.00 25.00 N ATOM 305 CA MET A 433 -0.438 9.626 -28.664 1.00 25.00 C ATOM 306 C MET A 433 -1.728 9.059 -28.090 1.00 25.00 C ATOM 307 O MET A 433 -1.842 7.857 -27.851 1.00 25.00 O ATOM 308 CB MET A 433 0.434 10.133 -27.510 1.00 25.00 C ATOM 309 CG MET A 433 1.632 9.246 -27.210 1.00 25.00 C ATOM 310 SD MET A 433 2.824 9.213 -28.575 1.00 25.00 S ATOM 311 CE MET A 433 3.603 10.874 -28.431 1.00 25.00 C ATOM 0 H MET A 433 -0.378 11.621 -29.327 1.00 25.00 H new ATOM 0 HA MET A 433 0.102 8.851 -29.207 1.00 25.00 H new ATOM 0 HB2 MET A 433 0.787 11.136 -27.748 1.00 25.00 H new ATOM 0 HB3 MET A 433 -0.179 10.215 -26.613 1.00 25.00 H new ATOM 0 HG2 MET A 433 2.127 9.602 -26.307 1.00 25.00 H new ATOM 0 HG3 MET A 433 1.288 8.232 -27.006 1.00 25.00 H new ATOM 0 HE1 MET A 433 4.632 10.825 -28.786 1.00 25.00 H new ATOM 0 HE2 MET A 433 3.045 11.591 -29.033 1.00 25.00 H new ATOM 0 HE3 MET A 433 3.593 11.191 -27.388 1.00 25.00 H new ATOM 321 N THR A 434 -2.707 9.931 -27.890 1.00 25.00 N ATOM 322 CA THR A 434 -4.024 9.540 -27.387 1.00 25.00 C ATOM 323 C THR A 434 -4.648 8.487 -28.305 1.00 25.00 C ATOM 324 O THR A 434 -5.326 7.571 -27.856 1.00 25.00 O ATOM 325 CB THR A 434 -4.968 10.772 -27.298 1.00 25.00 C ATOM 326 OG1 THR A 434 -4.371 11.772 -26.469 1.00 25.00 O ATOM 327 CG2 THR A 434 -6.309 10.411 -26.677 1.00 25.00 C ATOM 0 H THR A 434 -2.614 10.931 -28.071 1.00 25.00 H new ATOM 0 HA THR A 434 -3.895 9.122 -26.389 1.00 25.00 H new ATOM 0 HB THR A 434 -5.125 11.133 -28.315 1.00 25.00 H new ATOM 0 HG1 THR A 434 -3.624 12.190 -26.947 1.00 25.00 H new ATOM 0 HG21 THR A 434 -6.940 11.299 -26.632 1.00 25.00 H new ATOM 0 HG22 THR A 434 -6.797 9.649 -27.284 1.00 25.00 H new ATOM 0 HG23 THR A 434 -6.152 10.027 -25.669 1.00 25.00 H new ATOM 335 N ARG A 435 -4.404 8.598 -29.601 1.00 25.00 N ATOM 336 CA ARG A 435 -4.968 7.641 -30.557 1.00 25.00 C ATOM 337 C ARG A 435 -4.338 6.283 -30.321 1.00 25.00 C ATOM 338 O ARG A 435 -5.013 5.262 -30.321 1.00 25.00 O ATOM 339 CB ARG A 435 -4.690 8.084 -31.998 1.00 25.00 C ATOM 340 CG ARG A 435 -5.057 9.531 -32.267 1.00 25.00 C ATOM 341 CD ARG A 435 -4.627 9.969 -33.659 1.00 25.00 C ATOM 342 NE ARG A 435 -4.566 11.440 -33.741 1.00 25.00 N ATOM 343 CZ ARG A 435 -3.784 12.134 -34.564 1.00 25.00 C ATOM 344 NH1 ARG A 435 -2.977 11.559 -35.422 1.00 25.00 N ATOM 345 NH2 ARG A 435 -3.799 13.436 -34.502 1.00 25.00 N ATOM 0 H ARG A 435 -3.828 9.329 -30.018 1.00 25.00 H new ATOM 0 HA ARG A 435 -6.047 7.591 -30.412 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -3.632 7.939 -32.217 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -5.247 7.443 -32.681 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -6.134 9.659 -32.161 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -4.585 10.171 -31.522 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -3.651 9.545 -33.895 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -5.329 9.586 -34.400 1.00 25.00 H new ATOM 0 HE ARG A 435 -5.173 11.969 -33.115 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -2.932 10.541 -35.477 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -2.394 12.129 -36.035 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -4.404 13.908 -33.830 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -3.206 13.983 -35.126 1.00 25.00 H new ATOM 359 N GLN A 436 -3.034 6.289 -30.108 1.00 25.00 N ATOM 360 CA GLN A 436 -2.289 5.043 -29.919 1.00 25.00 C ATOM 361 C GLN A 436 -2.749 4.305 -28.667 1.00 25.00 C ATOM 362 O GLN A 436 -2.949 3.097 -28.698 1.00 25.00 O ATOM 363 CB GLN A 436 -0.774 5.291 -29.808 1.00 25.00 C ATOM 364 CG GLN A 436 -0.196 6.330 -30.767 1.00 25.00 C ATOM 365 CD GLN A 436 -0.568 6.106 -32.213 1.00 25.00 C ATOM 366 OE1 GLN A 436 -0.541 4.996 -32.720 1.00 25.00 O ATOM 367 NE2 GLN A 436 -0.917 7.169 -32.884 1.00 25.00 N ATOM 0 H GLN A 436 -2.466 7.135 -30.061 1.00 25.00 H new ATOM 0 HA GLN A 436 -2.489 4.434 -30.801 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -0.550 5.602 -28.788 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -0.258 4.345 -29.973 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -0.538 7.319 -30.464 1.00 25.00 H new ATOM 0 HG3 GLN A 436 0.890 6.327 -30.677 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -0.928 8.080 -32.426 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -1.179 7.089 -33.866 1.00 25.00 H new ATOM 376 N VAL A 437 -2.918 5.023 -27.563 1.00 25.00 N ATOM 377 CA VAL A 437 -3.317 4.379 -26.309 1.00 25.00 C ATOM 378 C VAL A 437 -4.744 3.859 -26.356 1.00 25.00 C ATOM 379 O VAL A 437 -5.049 2.831 -25.769 1.00 25.00 O ATOM 380 CB VAL A 437 -3.138 5.305 -25.072 1.00 25.00 C ATOM 381 CG1 VAL A 437 -1.645 5.572 -24.828 1.00 25.00 C ATOM 382 CG2 VAL A 437 -3.866 6.622 -25.214 1.00 25.00 C ATOM 0 H VAL A 437 -2.789 6.033 -27.505 1.00 25.00 H new ATOM 0 HA VAL A 437 -2.642 3.531 -26.197 1.00 25.00 H new ATOM 0 HB VAL A 437 -3.575 4.781 -24.222 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -1.529 6.221 -23.960 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -1.131 4.628 -24.646 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -1.214 6.057 -25.704 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -3.704 7.225 -24.321 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -3.487 7.155 -26.086 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -4.933 6.436 -25.338 1.00 25.00 H new ATOM 392 N LEU A 438 -5.617 4.552 -27.067 1.00 25.00 N ATOM 393 CA LEU A 438 -6.998 4.095 -27.222 1.00 25.00 C ATOM 394 C LEU A 438 -7.049 2.809 -28.040 1.00 25.00 C ATOM 395 O LEU A 438 -7.822 1.909 -27.731 1.00 25.00 O ATOM 396 CB LEU A 438 -7.859 5.171 -27.890 1.00 25.00 C ATOM 397 CG LEU A 438 -8.229 6.371 -27.000 1.00 25.00 C ATOM 398 CD1 LEU A 438 -8.926 7.432 -27.847 1.00 25.00 C ATOM 399 CD2 LEU A 438 -9.133 5.960 -25.833 1.00 25.00 C ATOM 0 H LEU A 438 -5.402 5.427 -27.545 1.00 25.00 H new ATOM 0 HA LEU A 438 -7.398 3.898 -26.227 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -7.330 5.542 -28.768 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -8.779 4.707 -28.245 1.00 25.00 H new ATOM 0 HG LEU A 438 -7.309 6.773 -26.576 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -9.189 8.283 -27.219 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -8.256 7.761 -28.642 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -9.831 7.011 -28.286 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -9.370 6.837 -25.230 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -10.055 5.527 -26.222 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -8.618 5.224 -25.216 1.00 25.00 H new ATOM 720 N ALA A 462 -17.738 -31.859 -44.547 1.00 25.00 N ATOM 721 CA ALA A 462 -16.601 -32.169 -43.692 1.00 25.00 C ATOM 722 C ALA A 462 -17.092 -32.805 -42.386 1.00 25.00 C ATOM 723 O ALA A 462 -16.534 -33.801 -41.927 1.00 25.00 O ATOM 724 CB ALA A 462 -15.802 -30.901 -43.402 1.00 25.00 C ATOM 0 HA ALA A 462 -15.950 -32.878 -44.204 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -14.954 -31.144 -42.762 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.440 -30.477 -44.339 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.441 -30.176 -42.898 1.00 25.00 H new ATOM 730 N LEU A 463 -18.139 -32.243 -41.791 1.00 25.00 N ATOM 731 CA LEU A 463 -18.672 -32.783 -40.546 1.00 25.00 C ATOM 732 C LEU A 463 -19.262 -34.172 -40.772 1.00 25.00 C ATOM 733 O LEU A 463 -19.118 -35.030 -39.927 1.00 25.00 O ATOM 734 CB LEU A 463 -19.671 -31.803 -39.902 1.00 25.00 C ATOM 735 CG LEU A 463 -21.194 -31.982 -40.054 1.00 25.00 C ATOM 736 CD1 LEU A 463 -21.779 -33.007 -39.084 1.00 25.00 C ATOM 737 CD2 LEU A 463 -21.853 -30.647 -39.805 1.00 25.00 C ATOM 0 H LEU A 463 -18.631 -31.423 -42.146 1.00 25.00 H new ATOM 0 HA LEU A 463 -17.855 -32.900 -39.834 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.459 -31.794 -38.833 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.430 -30.811 -40.283 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.383 -32.352 -41.062 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -22.855 -33.086 -39.243 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.315 -33.978 -39.257 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -21.586 -32.690 -38.059 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -22.933 -30.750 -39.907 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -21.615 -30.306 -38.797 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.487 -29.920 -40.530 1.00 25.00 H new ATOM 749 N GLN A 464 -19.900 -34.419 -41.908 1.00 25.00 N ATOM 750 CA GLN A 464 -20.407 -35.762 -42.200 1.00 25.00 C ATOM 751 C GLN A 464 -19.276 -36.786 -42.207 1.00 25.00 C ATOM 752 O GLN A 464 -19.454 -37.925 -41.777 1.00 25.00 O ATOM 753 CB GLN A 464 -21.152 -35.779 -43.530 1.00 25.00 C ATOM 754 CG GLN A 464 -22.472 -35.044 -43.454 1.00 25.00 C ATOM 755 CD GLN A 464 -23.275 -35.168 -44.712 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.876 -34.741 -45.790 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.420 -35.757 -44.582 1.00 25.00 N ATOM 0 H GLN A 464 -20.079 -33.725 -42.633 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.106 -36.036 -41.409 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.528 -35.324 -44.300 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.329 -36.811 -43.832 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.052 -35.433 -42.617 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.285 -33.990 -43.249 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.717 -36.099 -43.668 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.026 -35.879 -45.394 1.00 25.00 H new ATOM 766 N GLY A 465 -18.108 -36.368 -42.663 1.00 25.00 N ATOM 767 CA GLY A 465 -16.943 -37.226 -42.633 1.00 25.00 C ATOM 768 C GLY A 465 -16.558 -37.441 -41.188 1.00 25.00 C ATOM 769 O GLY A 465 -16.361 -38.568 -40.764 1.00 25.00 O ATOM 0 H GLY A 465 -17.944 -35.442 -43.057 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.159 -38.179 -43.116 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.120 -36.770 -43.183 1.00 25.00 H new ATOM 773 N ALA A 466 -16.480 -36.356 -40.427 1.00 25.00 N ATOM 774 CA ALA A 466 -16.130 -36.411 -39.006 1.00 25.00 C ATOM 775 C ALA A 466 -17.026 -37.387 -38.225 1.00 25.00 C ATOM 776 O ALA A 466 -16.559 -38.093 -37.345 1.00 25.00 O ATOM 777 CB ALA A 466 -16.218 -35.010 -38.392 1.00 25.00 C ATOM 0 H ALA A 466 -16.657 -35.413 -40.773 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.107 -36.780 -38.934 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -15.956 -35.059 -37.335 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.526 -34.343 -38.907 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.234 -34.630 -38.497 1.00 25.00 H new ATOM 783 N GLN A 467 -18.305 -37.432 -38.556 1.00 25.00 N ATOM 784 CA GLN A 467 -19.234 -38.344 -37.891 1.00 25.00 C ATOM 785 C GLN A 467 -18.952 -39.802 -38.254 1.00 25.00 C ATOM 786 O GLN A 467 -19.000 -40.684 -37.402 1.00 25.00 O ATOM 787 CB GLN A 467 -20.659 -38.022 -38.319 1.00 25.00 C ATOM 788 CG GLN A 467 -21.157 -36.635 -37.902 1.00 25.00 C ATOM 789 CD GLN A 467 -21.287 -36.452 -36.407 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.585 -37.376 -35.672 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.071 -35.242 -35.957 1.00 25.00 N ATOM 0 H GLN A 467 -18.728 -36.851 -39.279 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.106 -38.213 -36.816 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.725 -38.105 -39.404 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.328 -38.774 -37.900 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.472 -35.882 -38.292 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.127 -36.454 -38.366 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -20.823 -34.494 -36.604 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.150 -35.047 -34.959 1.00 25.00 H new ATOM 800 N ALA A 468 -18.667 -40.060 -39.523 1.00 25.00 N ATOM 801 CA ALA A 468 -18.411 -41.424 -39.976 1.00 25.00 C ATOM 802 C ALA A 468 -17.109 -41.952 -39.365 1.00 25.00 C ATOM 803 O ALA A 468 -17.040 -43.085 -38.884 1.00 25.00 O ATOM 804 CB ALA A 468 -18.339 -41.459 -41.510 1.00 25.00 C ATOM 0 H ALA A 468 -18.607 -39.350 -40.253 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.228 -42.066 -39.648 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.148 -42.479 -41.842 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.285 -41.113 -41.927 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.533 -40.809 -41.851 1.00 25.00 H new ATOM 810 N VAL A 469 -16.078 -41.120 -39.375 1.00 25.00 N ATOM 811 CA VAL A 469 -14.779 -41.512 -38.833 1.00 25.00 C ATOM 812 C VAL A 469 -14.844 -41.638 -37.319 1.00 25.00 C ATOM 813 O VAL A 469 -14.070 -42.377 -36.736 1.00 25.00 O ATOM 814 CB VAL A 469 -13.628 -40.543 -39.252 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.582 -40.413 -40.778 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.798 -39.176 -38.631 1.00 25.00 C ATOM 0 H VAL A 469 -16.112 -40.172 -39.750 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.544 -42.485 -39.263 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.691 -40.965 -38.890 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.777 -39.735 -41.061 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.405 -41.393 -41.221 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.532 -40.018 -41.138 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -12.979 -38.529 -38.945 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.745 -38.745 -38.954 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.793 -39.267 -37.545 1.00 25.00 H new ATOM 826 N ALA A 470 -15.756 -40.915 -36.679 1.00 25.00 N ATOM 827 CA ALA A 470 -15.886 -40.954 -35.218 1.00 25.00 C ATOM 828 C ALA A 470 -16.105 -42.376 -34.695 1.00 25.00 C ATOM 829 O ALA A 470 -15.677 -42.697 -33.589 1.00 25.00 O ATOM 830 CB ALA A 470 -17.023 -40.039 -34.748 1.00 25.00 C ATOM 0 H ALA A 470 -16.418 -40.294 -37.144 1.00 25.00 H new ATOM 0 HA ALA A 470 -14.944 -40.592 -34.807 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.101 -40.084 -33.662 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.815 -39.014 -35.055 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -17.962 -40.368 -35.193 1.00 25.00 H new ATOM 836 N ALA A 471 -16.746 -43.231 -35.481 1.00 25.00 N ATOM 837 CA ALA A 471 -16.944 -44.621 -35.074 1.00 25.00 C ATOM 838 C ALA A 471 -15.584 -45.333 -34.963 1.00 25.00 C ATOM 839 O ALA A 471 -15.363 -46.130 -34.057 1.00 25.00 O ATOM 840 CB ALA A 471 -17.851 -45.338 -36.081 1.00 25.00 C ATOM 0 H ALA A 471 -17.135 -42.993 -36.394 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.428 -44.644 -34.097 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.993 -46.373 -35.770 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.817 -44.836 -36.122 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.388 -45.316 -37.068 1.00 25.00 H new ATOM 846 N ALA A 472 -14.677 -45.030 -35.878 1.00 25.00 N ATOM 847 CA ALA A 472 -13.328 -45.585 -35.835 1.00 25.00 C ATOM 848 C ALA A 472 -12.530 -44.935 -34.700 1.00 25.00 C ATOM 849 O ALA A 472 -11.728 -45.586 -34.050 1.00 25.00 O ATOM 850 CB ALA A 472 -12.623 -45.374 -37.183 1.00 25.00 C ATOM 0 H ALA A 472 -14.849 -44.401 -36.663 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.391 -46.657 -35.646 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.618 -45.793 -37.137 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.188 -45.872 -37.971 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.562 -44.307 -37.399 1.00 25.00 H new ATOM 856 N GLN A 473 -12.749 -43.650 -34.467 1.00 25.00 N ATOM 857 CA GLN A 473 -12.027 -42.934 -33.417 1.00 25.00 C ATOM 858 C GLN A 473 -12.372 -43.440 -32.026 1.00 25.00 C ATOM 859 O GLN A 473 -11.494 -43.696 -31.211 1.00 25.00 O ATOM 860 CB GLN A 473 -12.329 -41.434 -33.462 1.00 25.00 C ATOM 861 CG GLN A 473 -11.919 -40.737 -34.747 1.00 25.00 C ATOM 862 CD GLN A 473 -10.417 -40.657 -34.938 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.649 -40.769 -34.001 1.00 25.00 O ATOM 864 NE2 GLN A 473 -9.999 -40.474 -36.162 1.00 25.00 N ATOM 0 H GLN A 473 -13.417 -43.080 -34.986 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.970 -43.115 -33.610 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.399 -41.289 -33.313 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.822 -40.951 -32.626 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.357 -41.265 -35.594 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.332 -39.728 -34.752 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.672 -40.384 -36.923 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -8.999 -40.421 -36.357 1.00 25.00 H new ATOM 873 N ARG A 474 -13.656 -43.598 -31.747 1.00 25.00 N ATOM 874 CA ARG A 474 -14.076 -44.109 -30.435 1.00 25.00 C ATOM 875 C ARG A 474 -13.542 -45.525 -30.240 1.00 25.00 C ATOM 876 O ARG A 474 -13.290 -45.953 -29.120 1.00 25.00 O ATOM 877 CB ARG A 474 -15.603 -44.055 -30.267 1.00 25.00 C ATOM 878 CG ARG A 474 -16.400 -44.965 -31.188 1.00 25.00 C ATOM 879 CD ARG A 474 -17.896 -44.718 -31.058 1.00 25.00 C ATOM 880 NE ARG A 474 -18.400 -45.071 -29.718 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.651 -44.906 -29.301 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.582 -44.388 -30.065 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.971 -45.271 -28.090 1.00 25.00 N ATOM 0 H ARG A 474 -14.418 -43.387 -32.391 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.655 -43.466 -29.662 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.846 -44.310 -29.235 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.932 -43.028 -30.427 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.091 -44.800 -32.220 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.180 -46.006 -30.952 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.109 -43.668 -31.260 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.427 -45.302 -31.810 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.735 -45.474 -29.058 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.357 -44.095 -31.016 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.531 -44.278 -29.709 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.265 -45.677 -27.476 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.927 -45.150 -27.757 1.00 25.00 H new ATOM 897 N LEU A 475 -13.357 -46.232 -31.343 1.00 25.00 N ATOM 898 CA LEU A 475 -12.787 -47.571 -31.317 1.00 25.00 C ATOM 899 C LEU A 475 -11.282 -47.517 -31.018 1.00 25.00 C ATOM 900 O LEU A 475 -10.820 -48.212 -30.126 1.00 25.00 O ATOM 901 CB LEU A 475 -13.062 -48.272 -32.660 1.00 25.00 C ATOM 902 CG LEU A 475 -11.974 -49.183 -33.257 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.758 -50.457 -32.410 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.354 -49.577 -34.671 1.00 25.00 C ATOM 0 H LEU A 475 -13.596 -45.897 -32.277 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.258 -48.145 -30.519 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.965 -48.871 -32.541 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.286 -47.500 -33.396 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.040 -48.620 -33.261 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -10.982 -51.071 -32.867 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.452 -50.176 -31.402 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.688 -51.024 -32.362 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.581 -50.222 -35.089 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.304 -50.112 -34.657 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.451 -48.681 -35.285 1.00 25.00 H new ATOM 916 N VAL A 476 -10.512 -46.719 -31.751 1.00 25.00 N ATOM 917 CA VAL A 476 -9.055 -46.707 -31.559 1.00 25.00 C ATOM 918 C VAL A 476 -8.730 -46.226 -30.155 1.00 25.00 C ATOM 919 O VAL A 476 -7.797 -46.710 -29.510 1.00 25.00 O ATOM 920 CB VAL A 476 -8.305 -45.883 -32.657 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.675 -44.423 -32.642 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.790 -46.047 -32.515 1.00 25.00 C ATOM 0 H VAL A 476 -10.857 -46.083 -32.470 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.691 -47.728 -31.671 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.622 -46.284 -33.620 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.125 -43.900 -33.424 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.745 -44.317 -32.818 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.423 -43.994 -31.672 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.287 -45.466 -33.288 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.476 -45.693 -31.533 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.526 -47.099 -32.623 1.00 25.00 H new ATOM 932 N HIS A 477 -9.527 -45.292 -29.668 1.00 25.00 N ATOM 933 CA HIS A 477 -9.360 -44.771 -28.337 1.00 25.00 C ATOM 934 C HIS A 477 -9.548 -45.873 -27.306 1.00 25.00 C ATOM 935 O HIS A 477 -8.861 -45.898 -26.302 1.00 25.00 O ATOM 936 CB HIS A 477 -10.365 -43.654 -28.104 1.00 25.00 C ATOM 937 CG HIS A 477 -10.117 -42.893 -26.842 1.00 25.00 C ATOM 938 ND1 HIS A 477 -11.096 -42.365 -26.039 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.948 -42.582 -26.223 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.507 -41.772 -25.002 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.195 -41.872 -25.066 1.00 25.00 N ATOM 0 H HIS A 477 -10.302 -44.880 -30.187 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.350 -44.376 -28.232 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.335 -42.965 -28.948 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.369 -44.078 -28.074 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.967 -42.852 -26.585 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -11.039 -41.271 -24.207 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.511 -41.505 -24.405 1.00 25.00 H new ATOM 949 N ALA A 478 -10.464 -46.799 -27.557 1.00 25.00 N ATOM 950 CA ALA A 478 -10.701 -47.887 -26.618 1.00 25.00 C ATOM 951 C ALA A 478 -9.418 -48.698 -26.403 1.00 25.00 C ATOM 952 O ALA A 478 -9.077 -49.036 -25.276 1.00 25.00 O ATOM 953 CB ALA A 478 -11.832 -48.787 -27.121 1.00 25.00 C ATOM 0 H ALA A 478 -11.049 -46.819 -28.393 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.001 -47.461 -25.660 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -11.998 -49.595 -26.409 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.745 -48.201 -27.223 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.560 -49.207 -28.089 1.00 25.00 H new ATOM 959 N ILE A 479 -8.700 -49.003 -27.475 1.00 25.00 N ATOM 960 CA ILE A 479 -7.468 -49.782 -27.346 1.00 25.00 C ATOM 961 C ILE A 479 -6.375 -48.921 -26.724 1.00 25.00 C ATOM 962 O ILE A 479 -5.536 -49.413 -25.981 1.00 25.00 O ATOM 963 CB ILE A 479 -6.960 -50.318 -28.697 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.081 -51.064 -29.425 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.768 -51.284 -28.493 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.415 -50.421 -30.708 1.00 25.00 C ATOM 0 H ILE A 479 -8.940 -48.731 -28.428 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.702 -50.636 -26.710 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.634 -49.466 -29.293 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.777 -52.096 -29.602 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -8.968 -51.097 -28.792 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.426 -51.650 -29.461 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -4.953 -50.757 -27.996 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.084 -52.127 -27.878 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.214 -50.978 -31.197 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.743 -49.397 -30.527 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.534 -50.411 -31.350 1.00 25.00 H new ATOM 978 N ALA A 480 -6.394 -47.628 -27.011 1.00 25.00 N ATOM 979 CA ALA A 480 -5.408 -46.711 -26.450 1.00 25.00 C ATOM 980 C ALA A 480 -5.497 -46.739 -24.915 1.00 25.00 C ATOM 981 O ALA A 480 -4.510 -46.527 -24.213 1.00 25.00 O ATOM 982 CB ALA A 480 -5.635 -45.292 -26.993 1.00 25.00 C ATOM 0 H ALA A 480 -7.078 -47.189 -27.627 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.407 -47.025 -26.745 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.893 -44.616 -26.567 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.539 -45.298 -28.079 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.634 -44.953 -26.719 1.00 25.00 H new ATOM 988 N LEU A 481 -6.681 -47.020 -24.393 1.00 25.00 N ATOM 989 CA LEU A 481 -6.858 -47.119 -22.943 1.00 25.00 C ATOM 990 C LEU A 481 -6.300 -48.429 -22.454 1.00 25.00 C ATOM 991 O LEU A 481 -5.626 -48.493 -21.447 1.00 25.00 O ATOM 992 CB LEU A 481 -8.324 -47.017 -22.557 1.00 25.00 C ATOM 993 CG LEU A 481 -8.896 -45.685 -23.019 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.399 -45.810 -23.165 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.542 -44.541 -22.077 1.00 25.00 C ATOM 0 H LEU A 481 -7.527 -47.183 -24.939 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.324 -46.290 -22.479 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.884 -47.837 -23.006 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.431 -47.112 -21.476 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.448 -45.443 -23.983 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.813 -44.857 -23.496 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.630 -46.581 -23.900 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.837 -46.081 -22.204 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.974 -43.613 -22.452 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.940 -44.751 -21.084 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.458 -44.439 -22.020 1.00 25.00 H new ATOM 1007 N MET A 482 -6.575 -49.491 -23.183 1.00 25.00 N ATOM 1008 CA MET A 482 -6.088 -50.810 -22.794 1.00 25.00 C ATOM 1009 C MET A 482 -4.592 -50.878 -22.805 1.00 25.00 C ATOM 1010 O MET A 482 -3.991 -51.674 -22.084 1.00 25.00 O ATOM 1011 CB MET A 482 -6.629 -51.872 -23.736 1.00 25.00 C ATOM 1012 CG MET A 482 -8.093 -51.852 -23.726 1.00 25.00 C ATOM 1013 SD MET A 482 -8.841 -53.414 -24.218 1.00 25.00 S ATOM 1014 CE MET A 482 -8.667 -53.331 -26.012 1.00 25.00 C ATOM 0 H MET A 482 -7.127 -49.474 -24.041 1.00 25.00 H new ATOM 0 HA MET A 482 -6.439 -50.991 -21.778 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.262 -51.694 -24.747 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.269 -52.855 -23.434 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.437 -51.594 -22.725 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.441 -51.066 -24.395 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.086 -54.232 -26.460 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.198 -52.457 -26.389 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.611 -53.254 -26.272 1.00 25.00 H new ATOM 1024 N THR A 483 -3.983 -50.049 -23.629 1.00 25.00 N ATOM 1025 CA THR A 483 -2.536 -50.092 -23.762 1.00 25.00 C ATOM 1026 C THR A 483 -1.891 -49.274 -22.661 1.00 25.00 C ATOM 1027 O THR A 483 -0.833 -49.643 -22.170 1.00 25.00 O ATOM 1028 CB THR A 483 -2.086 -49.642 -25.155 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.738 -48.424 -25.501 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.480 -50.688 -26.192 1.00 25.00 C ATOM 0 H THR A 483 -4.452 -49.351 -24.206 1.00 25.00 H new ATOM 0 HA THR A 483 -2.206 -51.125 -23.652 1.00 25.00 H new ATOM 0 HB THR A 483 -1.004 -49.509 -25.141 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.647 -48.617 -25.813 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.157 -50.361 -27.180 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.003 -51.638 -25.950 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.563 -50.814 -26.188 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.529 -48.190 -22.236 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.989 -47.412 -21.119 1.00 25.00 C ATOM 1040 C GLN A 484 -2.319 -48.098 -19.787 1.00 25.00 C ATOM 1041 O GLN A 484 -1.593 -47.933 -18.817 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.465 -45.949 -21.151 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.928 -45.730 -20.831 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.375 -44.319 -21.124 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.513 -43.502 -20.234 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.614 -44.031 -22.378 1.00 25.00 N ATOM 0 H GLN A 484 -3.398 -47.833 -22.633 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.904 -47.378 -21.222 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.867 -45.376 -20.443 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.263 -45.542 -22.142 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.532 -46.428 -21.411 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.105 -45.953 -19.779 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.487 -44.742 -23.098 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.927 -43.095 -22.636 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.391 -48.889 -19.735 1.00 25.00 N ATOM 1056 CA PHE A 485 -3.706 -49.648 -18.546 1.00 25.00 C ATOM 1057 C PHE A 485 -2.877 -50.920 -18.489 1.00 25.00 C ATOM 1058 O PHE A 485 -2.815 -51.594 -17.464 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.181 -50.021 -18.558 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.079 -48.949 -18.002 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.155 -48.448 -18.758 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -5.852 -48.433 -16.712 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.994 -47.429 -18.240 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -6.684 -47.414 -16.181 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.753 -46.909 -16.951 1.00 25.00 C ATOM 0 H PHE A 485 -4.048 -49.014 -20.505 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.480 -49.035 -17.674 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.483 -50.241 -19.582 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.321 -50.935 -17.981 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.344 -48.844 -19.745 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -5.035 -48.817 -16.120 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.816 -47.052 -18.831 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -6.500 -47.026 -15.190 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.384 -46.127 -16.555 1.00 25.00 H new