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 -165:sc= -0.0757 (180deg=-0.327) USER MOD Single : A 433 MET CE :methyl -157:sc= -0.0372 (180deg=-0.921) USER MOD Single : A 434 THR OG1 : rot 69:sc= 1.24 USER MOD Single : A 436 GLN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 464 GLN : amide:sc=-0.00435 X(o=-0.0044,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 477 HIS : no HD1:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0.00143 USER MOD Single : A 484 GLN : amide:sc= 0.241 X(o=0.24,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 13.551 -12.283 -27.051 1.00 25.00 N ATOM 114 CA GLU A 419 12.226 -12.857 -26.808 1.00 25.00 C ATOM 115 C GLU A 419 11.182 -11.774 -27.024 1.00 25.00 C ATOM 116 O GLU A 419 10.105 -12.034 -27.522 1.00 25.00 O ATOM 117 CB GLU A 419 12.115 -13.375 -25.366 1.00 25.00 C ATOM 118 CG GLU A 419 13.070 -14.516 -25.031 1.00 25.00 C ATOM 119 CD GLU A 419 13.151 -14.777 -23.530 1.00 25.00 C ATOM 120 OE1 GLU A 419 12.105 -14.941 -22.875 1.00 25.00 O ATOM 121 OE2 GLU A 419 14.288 -14.806 -23.000 1.00 25.00 O ATOM 0 HA GLU A 419 12.068 -13.690 -27.493 1.00 25.00 H new ATOM 0 HB2 GLU A 419 12.301 -12.548 -24.681 1.00 25.00 H new ATOM 0 HB3 GLU A 419 11.093 -13.710 -25.191 1.00 25.00 H new ATOM 0 HG2 GLU A 419 12.742 -15.423 -25.539 1.00 25.00 H new ATOM 0 HG3 GLU A 419 14.064 -14.279 -25.411 1.00 25.00 H new ATOM 128 N VAL A 420 11.523 -10.549 -26.651 1.00 25.00 N ATOM 129 CA VAL A 420 10.609 -9.417 -26.793 1.00 25.00 C ATOM 130 C VAL A 420 10.462 -9.042 -28.270 1.00 25.00 C ATOM 131 O VAL A 420 9.386 -8.665 -28.726 1.00 25.00 O ATOM 132 CB VAL A 420 11.118 -8.193 -25.978 1.00 25.00 C ATOM 133 CG1 VAL A 420 10.074 -7.075 -25.957 1.00 25.00 C ATOM 134 CG2 VAL A 420 11.433 -8.614 -24.534 1.00 25.00 C ATOM 0 H VAL A 420 12.428 -10.310 -26.246 1.00 25.00 H new ATOM 0 HA VAL A 420 9.635 -9.710 -26.402 1.00 25.00 H new ATOM 0 HB VAL A 420 12.022 -7.822 -26.461 1.00 25.00 H new ATOM 0 HG11 VAL A 420 10.455 -6.232 -25.381 1.00 25.00 H new ATOM 0 HG12 VAL A 420 9.865 -6.753 -26.977 1.00 25.00 H new ATOM 0 HG13 VAL A 420 9.156 -7.443 -25.498 1.00 25.00 H new ATOM 0 HG21 VAL A 420 11.788 -7.750 -23.972 1.00 25.00 H new ATOM 0 HG22 VAL A 420 10.531 -9.006 -24.064 1.00 25.00 H new ATOM 0 HG23 VAL A 420 12.203 -9.385 -24.540 1.00 25.00 H new ATOM 144 N SER A 421 11.543 -9.162 -29.027 1.00 25.00 N ATOM 145 CA SER A 421 11.491 -8.878 -30.460 1.00 25.00 C ATOM 146 C SER A 421 10.591 -9.887 -31.159 1.00 25.00 C ATOM 147 O SER A 421 9.808 -9.533 -32.040 1.00 25.00 O ATOM 148 CB SER A 421 12.886 -8.961 -31.069 1.00 25.00 C ATOM 149 OG SER A 421 13.756 -8.010 -30.476 1.00 25.00 O ATOM 0 H SER A 421 12.458 -9.450 -28.681 1.00 25.00 H new ATOM 0 HA SER A 421 11.094 -7.872 -30.594 1.00 25.00 H new ATOM 0 HB2 SER A 421 13.289 -9.964 -30.930 1.00 25.00 H new ATOM 0 HB3 SER A 421 12.829 -8.787 -32.143 1.00 25.00 H new ATOM 0 HG SER A 421 14.645 -8.083 -30.881 1.00 25.00 H new ATOM 155 N ASP A 422 10.698 -11.142 -30.752 1.00 25.00 N ATOM 156 CA ASP A 422 9.882 -12.203 -31.333 1.00 25.00 C ATOM 157 C ASP A 422 8.435 -12.030 -30.889 1.00 25.00 C ATOM 158 O ASP A 422 7.512 -12.286 -31.647 1.00 25.00 O ATOM 159 CB ASP A 422 10.398 -13.581 -30.899 1.00 25.00 C ATOM 160 CG ASP A 422 11.749 -13.930 -31.521 1.00 25.00 C ATOM 161 OD1 ASP A 422 12.114 -13.339 -32.562 1.00 25.00 O ATOM 162 OD2 ASP A 422 12.444 -14.812 -30.966 1.00 25.00 O ATOM 0 H ASP A 422 11.340 -11.453 -30.023 1.00 25.00 H new ATOM 0 HA ASP A 422 9.943 -12.139 -32.419 1.00 25.00 H new ATOM 0 HB2 ASP A 422 10.486 -13.605 -29.813 1.00 25.00 H new ATOM 0 HB3 ASP A 422 9.668 -14.341 -31.177 1.00 25.00 H new ATOM 167 N MET A 423 8.243 -11.580 -29.659 1.00 25.00 N ATOM 168 CA MET A 423 6.904 -11.372 -29.092 1.00 25.00 C ATOM 169 C MET A 423 6.117 -10.364 -29.917 1.00 25.00 C ATOM 170 O MET A 423 4.933 -10.545 -30.169 1.00 25.00 O ATOM 171 CB MET A 423 7.034 -10.867 -27.650 1.00 25.00 C ATOM 172 CG MET A 423 5.742 -10.809 -26.857 1.00 25.00 C ATOM 173 SD MET A 423 6.021 -10.052 -25.219 1.00 25.00 S ATOM 174 CE MET A 423 7.182 -11.212 -24.429 1.00 25.00 C ATOM 0 H MET A 423 9.004 -11.347 -29.021 1.00 25.00 H new ATOM 0 HA MET A 423 6.369 -12.321 -29.106 1.00 25.00 H new ATOM 0 HB2 MET A 423 7.736 -11.511 -27.120 1.00 25.00 H new ATOM 0 HB3 MET A 423 7.471 -9.869 -27.672 1.00 25.00 H new ATOM 0 HG2 MET A 423 4.998 -10.233 -27.407 1.00 25.00 H new ATOM 0 HG3 MET A 423 5.340 -11.815 -26.734 1.00 25.00 H new ATOM 0 HE1 MET A 423 7.220 -11.015 -23.358 1.00 25.00 H new ATOM 0 HE2 MET A 423 6.846 -12.235 -24.599 1.00 25.00 H new ATOM 0 HE3 MET A 423 8.176 -11.081 -24.858 1.00 25.00 H new ATOM 184 N ALA A 424 6.790 -9.311 -30.355 1.00 25.00 N ATOM 185 CA ALA A 424 6.146 -8.274 -31.156 1.00 25.00 C ATOM 186 C ALA A 424 5.654 -8.862 -32.485 1.00 25.00 C ATOM 187 O ALA A 424 4.623 -8.450 -33.024 1.00 25.00 O ATOM 188 CB ALA A 424 7.133 -7.128 -31.406 1.00 25.00 C ATOM 0 H ALA A 424 7.780 -9.149 -30.171 1.00 25.00 H new ATOM 0 HA ALA A 424 5.284 -7.884 -30.614 1.00 25.00 H new ATOM 0 HB1 ALA A 424 6.650 -6.355 -32.004 1.00 25.00 H new ATOM 0 HB2 ALA A 424 7.448 -6.705 -30.452 1.00 25.00 H new ATOM 0 HB3 ALA A 424 8.004 -7.508 -31.940 1.00 25.00 H new ATOM 194 N ALA A 425 6.390 -9.834 -33.007 1.00 25.00 N ATOM 195 CA ALA A 425 6.000 -10.491 -34.245 1.00 25.00 C ATOM 196 C ALA A 425 4.775 -11.379 -33.997 1.00 25.00 C ATOM 197 O ALA A 425 3.899 -11.468 -34.850 1.00 25.00 O ATOM 198 CB ALA A 425 7.169 -11.317 -34.806 1.00 25.00 C ATOM 0 H ALA A 425 7.255 -10.183 -32.595 1.00 25.00 H new ATOM 0 HA ALA A 425 5.738 -9.733 -34.983 1.00 25.00 H new ATOM 0 HB1 ALA A 425 6.860 -11.802 -35.732 1.00 25.00 H new ATOM 0 HB2 ALA A 425 8.016 -10.660 -35.005 1.00 25.00 H new ATOM 0 HB3 ALA A 425 7.461 -12.075 -34.079 1.00 25.00 H new ATOM 204 N VAL A 426 4.708 -12.019 -32.834 1.00 25.00 N ATOM 205 CA VAL A 426 3.563 -12.866 -32.484 1.00 25.00 C ATOM 206 C VAL A 426 2.310 -12.008 -32.378 1.00 25.00 C ATOM 207 O VAL A 426 1.266 -12.372 -32.914 1.00 25.00 O ATOM 208 CB VAL A 426 3.781 -13.609 -31.126 1.00 25.00 C ATOM 209 CG1 VAL A 426 2.553 -14.442 -30.754 1.00 25.00 C ATOM 210 CG2 VAL A 426 5.004 -14.521 -31.206 1.00 25.00 C ATOM 0 H VAL A 426 5.430 -11.970 -32.115 1.00 25.00 H new ATOM 0 HA VAL A 426 3.454 -13.614 -33.270 1.00 25.00 H new ATOM 0 HB VAL A 426 3.942 -12.853 -30.357 1.00 25.00 H new ATOM 0 HG11 VAL A 426 2.731 -14.949 -29.805 1.00 25.00 H new ATOM 0 HG12 VAL A 426 1.685 -13.789 -30.660 1.00 25.00 H new ATOM 0 HG13 VAL A 426 2.367 -15.183 -31.532 1.00 25.00 H new ATOM 0 HG21 VAL A 426 5.141 -15.030 -30.252 1.00 25.00 H new ATOM 0 HG22 VAL A 426 4.856 -15.260 -31.994 1.00 25.00 H new ATOM 0 HG23 VAL A 426 5.889 -13.925 -31.429 1.00 25.00 H new ATOM 220 N GLU A 427 2.419 -10.871 -31.705 1.00 25.00 N ATOM 221 CA GLU A 427 1.284 -9.964 -31.539 1.00 25.00 C ATOM 222 C GLU A 427 0.746 -9.538 -32.902 1.00 25.00 C ATOM 223 O GLU A 427 -0.456 -9.574 -33.154 1.00 25.00 O ATOM 224 CB GLU A 427 1.715 -8.712 -30.768 1.00 25.00 C ATOM 225 CG GLU A 427 1.996 -8.933 -29.287 1.00 25.00 C ATOM 226 CD GLU A 427 2.482 -7.656 -28.606 1.00 25.00 C ATOM 227 OE1 GLU A 427 1.724 -6.658 -28.588 1.00 25.00 O ATOM 228 OE2 GLU A 427 3.627 -7.643 -28.099 1.00 25.00 O ATOM 0 H GLU A 427 3.281 -10.552 -31.264 1.00 25.00 H new ATOM 0 HA GLU A 427 0.507 -10.489 -30.984 1.00 25.00 H new ATOM 0 HB2 GLU A 427 2.612 -8.306 -31.236 1.00 25.00 H new ATOM 0 HB3 GLU A 427 0.935 -7.957 -30.866 1.00 25.00 H new ATOM 0 HG2 GLU A 427 1.090 -9.286 -28.794 1.00 25.00 H new ATOM 0 HG3 GLU A 427 2.747 -9.715 -29.172 1.00 25.00 H new ATOM 235 N ALA A 428 1.641 -9.142 -33.794 1.00 25.00 N ATOM 236 CA ALA A 428 1.233 -8.712 -35.125 1.00 25.00 C ATOM 237 C ALA A 428 0.593 -9.874 -35.894 1.00 25.00 C ATOM 238 O ALA A 428 -0.399 -9.690 -36.613 1.00 25.00 O ATOM 239 CB ALA A 428 2.445 -8.165 -35.889 1.00 25.00 C ATOM 0 H ALA A 428 2.646 -9.109 -33.624 1.00 25.00 H new ATOM 0 HA ALA A 428 0.490 -7.920 -35.027 1.00 25.00 H new ATOM 0 HB1 ALA A 428 2.134 -7.845 -36.883 1.00 25.00 H new ATOM 0 HB2 ALA A 428 2.863 -7.316 -35.349 1.00 25.00 H new ATOM 0 HB3 ALA A 428 3.201 -8.945 -35.979 1.00 25.00 H new ATOM 245 N ALA A 429 1.171 -11.059 -35.749 1.00 25.00 N ATOM 246 CA ALA A 429 0.695 -12.239 -36.454 1.00 25.00 C ATOM 247 C ALA A 429 -0.703 -12.649 -36.004 1.00 25.00 C ATOM 248 O ALA A 429 -1.554 -12.936 -36.837 1.00 25.00 O ATOM 249 CB ALA A 429 1.673 -13.401 -36.250 1.00 25.00 C ATOM 0 H ALA A 429 1.975 -11.228 -35.145 1.00 25.00 H new ATOM 0 HA ALA A 429 0.639 -11.988 -37.513 1.00 25.00 H new ATOM 0 HB1 ALA A 429 1.309 -14.280 -36.781 1.00 25.00 H new ATOM 0 HB2 ALA A 429 2.654 -13.123 -36.637 1.00 25.00 H new ATOM 0 HB3 ALA A 429 1.753 -13.627 -35.187 1.00 25.00 H new ATOM 255 N GLU A 430 -0.959 -12.695 -34.705 1.00 25.00 N ATOM 256 CA GLU A 430 -2.277 -13.123 -34.240 1.00 25.00 C ATOM 257 C GLU A 430 -3.329 -12.079 -34.596 1.00 25.00 C ATOM 258 O GLU A 430 -4.466 -12.428 -34.930 1.00 25.00 O ATOM 259 CB GLU A 430 -2.286 -13.459 -32.739 1.00 25.00 C ATOM 260 CG GLU A 430 -2.045 -12.295 -31.791 1.00 25.00 C ATOM 261 CD GLU A 430 -2.071 -12.742 -30.338 1.00 25.00 C ATOM 262 OE1 GLU A 430 -1.030 -12.637 -29.655 1.00 25.00 O ATOM 263 OE2 GLU A 430 -3.140 -13.209 -29.879 1.00 25.00 O ATOM 0 H GLU A 430 -0.296 -12.450 -33.970 1.00 25.00 H new ATOM 0 HA GLU A 430 -2.528 -14.049 -34.757 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -3.249 -13.907 -32.494 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -1.525 -14.217 -32.553 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -1.081 -11.837 -32.014 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -2.806 -11.531 -31.951 1.00 25.00 H new ATOM 270 N LEU A 431 -2.960 -10.805 -34.563 1.00 25.00 N ATOM 271 CA LEU A 431 -3.896 -9.751 -34.932 1.00 25.00 C ATOM 272 C LEU A 431 -4.288 -9.899 -36.393 1.00 25.00 C ATOM 273 O LEU A 431 -5.468 -9.791 -36.738 1.00 25.00 O ATOM 274 CB LEU A 431 -3.280 -8.367 -34.696 1.00 25.00 C ATOM 275 CG LEU A 431 -3.223 -7.898 -33.231 1.00 25.00 C ATOM 276 CD1 LEU A 431 -2.346 -6.651 -33.128 1.00 25.00 C ATOM 277 CD2 LEU A 431 -4.624 -7.591 -32.682 1.00 25.00 C ATOM 0 H LEU A 431 -2.033 -10.479 -34.289 1.00 25.00 H new ATOM 0 HA LEU A 431 -4.784 -9.844 -34.306 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -2.266 -8.369 -35.097 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -3.848 -7.635 -35.270 1.00 25.00 H new ATOM 0 HG LEU A 431 -2.797 -8.704 -32.634 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -2.306 -6.319 -32.091 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -1.339 -6.885 -33.473 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -2.767 -5.858 -33.747 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -4.545 -7.263 -31.646 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -5.084 -6.803 -33.278 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -5.239 -8.489 -32.732 1.00 25.00 H new ATOM 289 N GLU A 432 -3.328 -10.146 -37.274 1.00 25.00 N ATOM 290 CA GLU A 432 -3.680 -10.328 -38.676 1.00 25.00 C ATOM 291 C GLU A 432 -4.347 -11.665 -38.959 1.00 25.00 C ATOM 292 O GLU A 432 -5.204 -11.740 -39.836 1.00 25.00 O ATOM 293 CB GLU A 432 -2.524 -10.044 -39.632 1.00 25.00 C ATOM 294 CG GLU A 432 -1.427 -11.068 -39.752 1.00 25.00 C ATOM 295 CD GLU A 432 -0.439 -10.657 -40.840 1.00 25.00 C ATOM 296 OE1 GLU A 432 -0.631 -9.558 -41.431 1.00 25.00 O ATOM 297 OE2 GLU A 432 0.508 -11.416 -41.119 1.00 25.00 O ATOM 0 H GLU A 432 -2.335 -10.223 -37.056 1.00 25.00 H new ATOM 0 HA GLU A 432 -4.432 -9.565 -38.877 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -2.945 -9.890 -40.626 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -2.067 -9.102 -39.330 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -0.908 -11.169 -38.799 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -1.854 -12.043 -39.988 1.00 25.00 H new ATOM 304 N MET A 433 -3.996 -12.715 -38.228 1.00 25.00 N ATOM 305 CA MET A 433 -4.645 -14.011 -38.422 1.00 25.00 C ATOM 306 C MET A 433 -6.107 -13.913 -38.033 1.00 25.00 C ATOM 307 O MET A 433 -6.954 -14.552 -38.650 1.00 25.00 O ATOM 308 CB MET A 433 -3.970 -15.118 -37.611 1.00 25.00 C ATOM 309 CG MET A 433 -2.769 -15.718 -38.318 1.00 25.00 C ATOM 310 SD MET A 433 -2.085 -17.158 -37.455 1.00 25.00 S ATOM 311 CE MET A 433 -1.292 -16.403 -36.021 1.00 25.00 C ATOM 0 H MET A 433 -3.277 -12.700 -37.505 1.00 25.00 H new ATOM 0 HA MET A 433 -4.554 -14.271 -39.477 1.00 25.00 H new ATOM 0 HB2 MET A 433 -3.655 -14.716 -36.648 1.00 25.00 H new ATOM 0 HB3 MET A 433 -4.695 -15.905 -37.406 1.00 25.00 H new ATOM 0 HG2 MET A 433 -3.057 -16.010 -39.328 1.00 25.00 H new ATOM 0 HG3 MET A 433 -1.994 -14.958 -38.415 1.00 25.00 H new ATOM 0 HE1 MET A 433 -0.516 -17.068 -35.642 1.00 25.00 H new ATOM 0 HE2 MET A 433 -0.845 -15.452 -36.311 1.00 25.00 H new ATOM 0 HE3 MET A 433 -2.035 -16.232 -35.242 1.00 25.00 H new ATOM 321 N THR A 434 -6.411 -13.096 -37.033 1.00 25.00 N ATOM 322 CA THR A 434 -7.800 -12.858 -36.634 1.00 25.00 C ATOM 323 C THR A 434 -8.573 -12.283 -37.825 1.00 25.00 C ATOM 324 O THR A 434 -9.734 -12.614 -38.043 1.00 25.00 O ATOM 325 CB THR A 434 -7.881 -11.888 -35.425 1.00 25.00 C ATOM 326 OG1 THR A 434 -7.139 -12.431 -34.332 1.00 25.00 O ATOM 327 CG2 THR A 434 -9.315 -11.702 -34.952 1.00 25.00 C ATOM 0 H THR A 434 -5.720 -12.586 -36.482 1.00 25.00 H new ATOM 0 HA THR A 434 -8.243 -13.806 -36.327 1.00 25.00 H new ATOM 0 HB THR A 434 -7.478 -10.928 -35.748 1.00 25.00 H new ATOM 0 HG1 THR A 434 -6.183 -12.414 -34.545 1.00 25.00 H new ATOM 0 HG21 THR A 434 -9.333 -11.017 -34.105 1.00 25.00 H new ATOM 0 HG22 THR A 434 -9.915 -11.291 -35.764 1.00 25.00 H new ATOM 0 HG23 THR A 434 -9.726 -12.665 -34.648 1.00 25.00 H new ATOM 335 N ARG A 435 -7.932 -11.443 -38.624 1.00 25.00 N ATOM 336 CA ARG A 435 -8.605 -10.894 -39.805 1.00 25.00 C ATOM 337 C ARG A 435 -8.861 -12.004 -40.814 1.00 25.00 C ATOM 338 O ARG A 435 -9.916 -12.052 -41.427 1.00 25.00 O ATOM 339 CB ARG A 435 -7.780 -9.778 -40.461 1.00 25.00 C ATOM 340 CG ARG A 435 -7.408 -8.658 -39.501 1.00 25.00 C ATOM 341 CD ARG A 435 -6.999 -7.376 -40.239 1.00 25.00 C ATOM 342 NE ARG A 435 -5.789 -7.546 -41.070 1.00 25.00 N ATOM 343 CZ ARG A 435 -4.536 -7.341 -40.670 1.00 25.00 C ATOM 344 NH1 ARG A 435 -4.236 -6.971 -39.448 1.00 25.00 N ATOM 345 NH2 ARG A 435 -3.563 -7.518 -41.521 1.00 25.00 N ATOM 0 H ARG A 435 -6.971 -11.129 -38.487 1.00 25.00 H new ATOM 0 HA ARG A 435 -9.552 -10.463 -39.479 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -6.869 -10.207 -40.878 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -8.345 -9.360 -41.294 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -8.254 -8.445 -38.848 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -6.587 -8.986 -38.863 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -7.824 -7.049 -40.872 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -6.824 -6.585 -39.510 1.00 25.00 H new ATOM 0 HE ARG A 435 -5.926 -7.847 -42.035 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -4.977 -6.829 -38.762 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -3.262 -6.825 -39.184 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -3.768 -7.809 -42.477 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -2.597 -7.365 -41.231 1.00 25.00 H new ATOM 359 N GLN A 436 -7.900 -12.903 -40.979 1.00 25.00 N ATOM 360 CA GLN A 436 -8.050 -13.986 -41.958 1.00 25.00 C ATOM 361 C GLN A 436 -9.196 -14.923 -41.594 1.00 25.00 C ATOM 362 O GLN A 436 -9.974 -15.313 -42.454 1.00 25.00 O ATOM 363 CB GLN A 436 -6.778 -14.844 -42.090 1.00 25.00 C ATOM 364 CG GLN A 436 -5.466 -14.091 -42.249 1.00 25.00 C ATOM 365 CD GLN A 436 -5.522 -12.961 -43.242 1.00 25.00 C ATOM 366 OE1 GLN A 436 -5.949 -13.117 -44.374 1.00 25.00 O ATOM 367 NE2 GLN A 436 -5.077 -11.812 -42.819 1.00 25.00 N ATOM 0 H GLN A 436 -7.021 -12.911 -40.461 1.00 25.00 H new ATOM 0 HA GLN A 436 -8.254 -13.485 -42.905 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -6.702 -15.480 -41.208 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -6.899 -15.504 -42.949 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -5.168 -13.693 -41.279 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -4.692 -14.793 -42.557 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -4.728 -11.720 -41.865 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -5.078 -11.004 -43.442 1.00 25.00 H new ATOM 376 N VAL A 437 -9.297 -15.298 -40.324 1.00 25.00 N ATOM 377 CA VAL A 437 -10.325 -16.253 -39.903 1.00 25.00 C ATOM 378 C VAL A 437 -11.731 -15.676 -39.982 1.00 25.00 C ATOM 379 O VAL A 437 -12.684 -16.390 -40.261 1.00 25.00 O ATOM 380 CB VAL A 437 -10.067 -16.805 -38.473 1.00 25.00 C ATOM 381 CG1 VAL A 437 -8.780 -17.658 -38.460 1.00 25.00 C ATOM 382 CG2 VAL A 437 -9.966 -15.716 -37.431 1.00 25.00 C ATOM 0 H VAL A 437 -8.691 -14.963 -39.575 1.00 25.00 H new ATOM 0 HA VAL A 437 -10.256 -17.078 -40.612 1.00 25.00 H new ATOM 0 HB VAL A 437 -10.929 -17.419 -38.213 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -8.607 -18.041 -37.454 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -8.890 -18.493 -39.152 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -7.933 -17.043 -38.765 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -9.786 -16.163 -36.454 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -9.142 -15.048 -37.682 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -10.897 -15.150 -37.405 1.00 25.00 H new ATOM 392 N LEU A 438 -11.855 -14.381 -39.754 1.00 25.00 N ATOM 393 CA LEU A 438 -13.149 -13.702 -39.865 1.00 25.00 C ATOM 394 C LEU A 438 -13.607 -13.591 -41.322 1.00 25.00 C ATOM 395 O LEU A 438 -14.795 -13.445 -41.591 1.00 25.00 O ATOM 396 CB LEU A 438 -13.076 -12.306 -39.236 1.00 25.00 C ATOM 397 CG LEU A 438 -12.995 -12.274 -37.698 1.00 25.00 C ATOM 398 CD1 LEU A 438 -12.698 -10.849 -37.234 1.00 25.00 C ATOM 399 CD2 LEU A 438 -14.294 -12.768 -37.048 1.00 25.00 C ATOM 0 H LEU A 438 -11.080 -13.772 -39.491 1.00 25.00 H new ATOM 0 HA LEU A 438 -13.880 -14.304 -39.326 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -12.204 -11.790 -39.639 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -13.954 -11.740 -39.548 1.00 25.00 H new ATOM 0 HG LEU A 438 -12.193 -12.945 -37.390 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -12.640 -10.825 -36.146 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -11.748 -10.520 -37.655 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -13.493 -10.184 -37.570 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -14.195 -12.730 -35.963 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -15.122 -12.131 -37.360 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -14.489 -13.795 -37.359 1.00 25.00 H new ATOM 720 N ALA A 462 -18.125 -33.074 -45.513 1.00 25.00 N ATOM 721 CA ALA A 462 -17.109 -33.173 -44.476 1.00 25.00 C ATOM 722 C ALA A 462 -17.722 -33.755 -43.201 1.00 25.00 C ATOM 723 O ALA A 462 -17.143 -34.642 -42.588 1.00 25.00 O ATOM 724 CB ALA A 462 -16.513 -31.801 -44.194 1.00 25.00 C ATOM 0 HA ALA A 462 -16.314 -33.835 -44.820 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.754 -31.887 -43.416 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.058 -31.408 -45.103 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.300 -31.124 -43.860 1.00 25.00 H new ATOM 730 N LEU A 463 -18.895 -33.266 -42.811 1.00 25.00 N ATOM 731 CA LEU A 463 -19.553 -33.753 -41.602 1.00 25.00 C ATOM 732 C LEU A 463 -19.930 -35.217 -41.763 1.00 25.00 C ATOM 733 O LEU A 463 -19.778 -35.981 -40.830 1.00 25.00 O ATOM 734 CB LEU A 463 -20.747 -32.860 -41.211 1.00 25.00 C ATOM 735 CG LEU A 463 -22.186 -33.192 -41.649 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.871 -34.182 -40.699 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.004 -31.902 -41.698 1.00 25.00 C ATOM 0 H LEU A 463 -19.407 -32.538 -43.310 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.853 -33.692 -40.769 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.754 -32.802 -40.123 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.527 -31.859 -41.582 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.132 -33.659 -42.632 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.883 -34.384 -41.051 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.304 -35.112 -40.672 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.914 -33.755 -39.697 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.024 -32.130 -42.007 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.019 -31.443 -40.710 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.554 -31.212 -42.412 1.00 25.00 H new ATOM 749 N GLN A 464 -20.386 -35.642 -42.933 1.00 25.00 N ATOM 750 CA GLN A 464 -20.703 -37.057 -43.122 1.00 25.00 C ATOM 751 C GLN A 464 -19.465 -37.920 -42.887 1.00 25.00 C ATOM 752 O GLN A 464 -19.556 -39.019 -42.356 1.00 25.00 O ATOM 753 CB GLN A 464 -21.257 -37.296 -44.526 1.00 25.00 C ATOM 754 CG GLN A 464 -22.631 -36.707 -44.716 1.00 25.00 C ATOM 755 CD GLN A 464 -23.215 -37.031 -46.059 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.811 -36.506 -47.091 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.166 -37.911 -46.056 1.00 25.00 N ATOM 0 H GLN A 464 -20.543 -35.049 -43.748 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.464 -37.339 -42.394 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.576 -36.864 -45.259 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.296 -38.368 -44.720 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.294 -37.081 -43.936 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.578 -35.625 -44.598 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.475 -38.325 -45.177 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.606 -38.189 -46.933 1.00 25.00 H new ATOM 766 N GLY A 465 -18.315 -37.391 -43.267 1.00 25.00 N ATOM 767 CA GLY A 465 -17.066 -38.074 -43.035 1.00 25.00 C ATOM 768 C GLY A 465 -16.772 -38.095 -41.553 1.00 25.00 C ATOM 769 O GLY A 465 -16.477 -39.136 -41.000 1.00 25.00 O ATOM 0 H GLY A 465 -18.226 -36.490 -43.737 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.119 -39.092 -43.421 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.260 -37.572 -43.570 1.00 25.00 H new ATOM 773 N ALA A 466 -16.870 -36.942 -40.912 1.00 25.00 N ATOM 774 CA ALA A 466 -16.553 -36.793 -39.489 1.00 25.00 C ATOM 775 C ALA A 466 -17.354 -37.773 -38.604 1.00 25.00 C ATOM 776 O ALA A 466 -16.846 -38.274 -37.623 1.00 25.00 O ATOM 777 CB ALA A 466 -16.881 -35.353 -39.044 1.00 25.00 C ATOM 0 H ALA A 466 -17.172 -36.077 -41.359 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.493 -37.014 -39.366 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.647 -35.237 -37.986 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.288 -34.648 -39.626 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.941 -35.155 -39.205 1.00 25.00 H new ATOM 783 N GLN A 467 -18.598 -38.035 -38.950 1.00 25.00 N ATOM 784 CA GLN A 467 -19.406 -38.942 -38.194 1.00 25.00 C ATOM 785 C GLN A 467 -19.078 -40.388 -38.443 1.00 25.00 C ATOM 786 O GLN A 467 -19.107 -41.212 -37.502 1.00 25.00 O ATOM 787 CB GLN A 467 -20.848 -38.645 -38.528 1.00 25.00 C ATOM 788 CG GLN A 467 -21.197 -37.208 -38.135 1.00 25.00 C ATOM 789 CD GLN A 467 -22.600 -36.948 -37.973 1.00 25.00 C ATOM 790 OE1 GLN A 467 -23.478 -37.637 -38.493 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.873 -35.868 -37.309 1.00 25.00 N ATOM 0 H GLN A 467 -19.065 -37.624 -39.758 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.206 -38.790 -37.133 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.019 -38.790 -39.595 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.501 -39.342 -38.003 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.688 -36.969 -37.201 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -20.803 -36.533 -38.895 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.119 -35.322 -36.891 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -23.841 -35.565 -37.204 1.00 25.00 H new ATOM 800 N ALA A 468 -18.759 -40.684 -39.680 1.00 25.00 N ATOM 801 CA ALA A 468 -18.374 -42.031 -40.024 1.00 25.00 C ATOM 802 C ALA A 468 -17.037 -42.391 -39.355 1.00 25.00 C ATOM 803 O ALA A 468 -16.865 -43.477 -38.819 1.00 25.00 O ATOM 804 CB ALA A 468 -18.250 -42.149 -41.571 1.00 25.00 C ATOM 0 H ALA A 468 -18.758 -40.021 -40.455 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.134 -42.726 -39.667 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.959 -43.165 -41.836 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.209 -41.914 -42.032 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.494 -41.450 -41.930 1.00 25.00 H new ATOM 810 N VAL A 469 -16.090 -41.464 -39.407 1.00 25.00 N ATOM 811 CA VAL A 469 -14.774 -41.679 -38.804 1.00 25.00 C ATOM 812 C VAL A 469 -14.886 -41.705 -37.285 1.00 25.00 C ATOM 813 O VAL A 469 -14.097 -42.371 -36.631 1.00 25.00 O ATOM 814 CB VAL A 469 -13.697 -40.653 -39.232 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.542 -40.669 -40.757 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.017 -39.252 -38.766 1.00 25.00 C ATOM 0 H VAL A 469 -16.204 -40.557 -39.859 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.437 -42.645 -39.180 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.761 -40.948 -38.757 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.783 -39.945 -41.053 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.240 -41.665 -41.082 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.493 -40.408 -41.222 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.230 -38.572 -39.092 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.970 -38.936 -39.191 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.082 -39.236 -37.678 1.00 25.00 H new ATOM 826 N ALA A 470 -15.845 -40.982 -36.713 1.00 25.00 N ATOM 827 CA ALA A 470 -16.014 -40.950 -35.258 1.00 25.00 C ATOM 828 C ALA A 470 -16.185 -42.359 -34.684 1.00 25.00 C ATOM 829 O ALA A 470 -15.718 -42.637 -33.579 1.00 25.00 O ATOM 830 CB ALA A 470 -17.215 -40.068 -34.883 1.00 25.00 C ATOM 0 H ALA A 470 -16.515 -40.412 -37.229 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.110 -40.522 -34.823 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.330 -40.052 -33.799 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.049 -39.053 -35.245 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.119 -40.472 -35.338 1.00 25.00 H new ATOM 836 N ALA A 471 -16.832 -43.248 -35.430 1.00 25.00 N ATOM 837 CA ALA A 471 -16.995 -44.630 -34.987 1.00 25.00 C ATOM 838 C ALA A 471 -15.623 -45.318 -34.875 1.00 25.00 C ATOM 839 O ALA A 471 -15.387 -46.106 -33.963 1.00 25.00 O ATOM 840 CB ALA A 471 -17.902 -45.387 -35.964 1.00 25.00 C ATOM 0 H ALA A 471 -17.249 -43.040 -36.337 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.462 -44.636 -34.002 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.019 -46.417 -35.628 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.879 -44.904 -36.002 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.454 -45.379 -36.958 1.00 25.00 H new ATOM 846 N ALA A 472 -14.725 -45.006 -35.797 1.00 25.00 N ATOM 847 CA ALA A 472 -13.364 -45.532 -35.761 1.00 25.00 C ATOM 848 C ALA A 472 -12.552 -44.867 -34.639 1.00 25.00 C ATOM 849 O ALA A 472 -11.700 -45.498 -34.033 1.00 25.00 O ATOM 850 CB ALA A 472 -12.676 -45.323 -37.120 1.00 25.00 C ATOM 0 H ALA A 472 -14.914 -44.387 -36.585 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.414 -46.601 -35.556 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.662 -45.720 -37.079 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.238 -45.843 -37.896 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.640 -44.258 -37.350 1.00 25.00 H new ATOM 856 N GLN A 473 -12.806 -43.595 -34.375 1.00 25.00 N ATOM 857 CA GLN A 473 -12.062 -42.870 -33.348 1.00 25.00 C ATOM 858 C GLN A 473 -12.384 -43.381 -31.954 1.00 25.00 C ATOM 859 O GLN A 473 -11.492 -43.615 -31.145 1.00 25.00 O ATOM 860 CB GLN A 473 -12.365 -41.365 -33.392 1.00 25.00 C ATOM 861 CG GLN A 473 -12.010 -40.663 -34.702 1.00 25.00 C ATOM 862 CD GLN A 473 -10.524 -40.451 -34.907 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.700 -40.854 -34.104 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.181 -39.823 -36.001 1.00 25.00 N ATOM 0 H GLN A 473 -13.518 -43.042 -34.853 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.007 -43.039 -33.562 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.428 -41.220 -33.198 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.824 -40.879 -32.581 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.401 -41.250 -35.534 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.512 -39.696 -34.731 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.899 -39.500 -36.650 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.196 -39.656 -36.206 1.00 25.00 H new ATOM 873 N ARG A 474 -13.663 -43.572 -31.665 1.00 25.00 N ATOM 874 CA ARG A 474 -14.060 -44.099 -30.352 1.00 25.00 C ATOM 875 C ARG A 474 -13.501 -45.508 -30.191 1.00 25.00 C ATOM 876 O ARG A 474 -13.255 -45.968 -29.084 1.00 25.00 O ATOM 877 CB ARG A 474 -15.587 -44.090 -30.177 1.00 25.00 C ATOM 878 CG ARG A 474 -16.342 -44.960 -31.163 1.00 25.00 C ATOM 879 CD ARG A 474 -17.841 -44.918 -30.940 1.00 25.00 C ATOM 880 NE ARG A 474 -18.232 -45.630 -29.707 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.415 -46.943 -29.602 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.248 -47.763 -30.612 1.00 25.00 N ATOM 883 NH2 ARG A 474 -18.765 -47.442 -28.449 1.00 25.00 N ATOM 0 H ARG A 474 -14.435 -43.377 -32.302 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.649 -43.454 -29.575 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.825 -44.419 -29.166 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.944 -43.064 -30.271 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.119 -44.632 -32.178 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -15.993 -45.989 -31.077 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.171 -43.881 -30.881 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.348 -45.366 -31.795 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.373 -45.069 -28.867 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -17.967 -47.400 -31.523 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -18.399 -48.764 -30.487 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.894 -46.827 -27.645 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -18.910 -48.447 -28.351 1.00 25.00 H new ATOM 897 N LEU A 475 -13.294 -46.179 -31.314 1.00 25.00 N ATOM 898 CA LEU A 475 -12.725 -47.516 -31.325 1.00 25.00 C ATOM 899 C LEU A 475 -11.217 -47.467 -31.042 1.00 25.00 C ATOM 900 O LEU A 475 -10.744 -48.186 -30.174 1.00 25.00 O ATOM 901 CB LEU A 475 -13.021 -48.180 -32.682 1.00 25.00 C ATOM 902 CG LEU A 475 -11.954 -49.099 -33.297 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.798 -50.386 -32.477 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.323 -49.449 -34.725 1.00 25.00 C ATOM 0 H LEU A 475 -13.515 -45.813 -32.240 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.181 -48.112 -30.535 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.937 -48.761 -32.574 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.230 -47.387 -33.400 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.005 -48.563 -33.289 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.037 -51.019 -32.934 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.498 -50.135 -31.459 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.748 -50.920 -32.454 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.559 -50.100 -35.149 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.285 -49.962 -34.737 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.391 -48.536 -35.317 1.00 25.00 H new ATOM 916 N VAL A 476 -10.459 -46.645 -31.760 1.00 25.00 N ATOM 917 CA VAL A 476 -9.001 -46.628 -31.580 1.00 25.00 C ATOM 918 C VAL A 476 -8.669 -46.174 -30.165 1.00 25.00 C ATOM 919 O VAL A 476 -7.745 -46.684 -29.525 1.00 25.00 O ATOM 920 CB VAL A 476 -8.264 -45.773 -32.666 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.676 -44.323 -32.634 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.743 -45.901 -32.522 1.00 25.00 C ATOM 0 H VAL A 476 -10.814 -45.993 -32.459 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.630 -47.644 -31.718 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.562 -46.172 -33.636 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.136 -43.774 -33.406 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.748 -44.245 -32.816 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.442 -43.900 -31.657 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.253 -45.299 -33.287 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.440 -45.551 -31.535 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.453 -46.945 -32.641 1.00 25.00 H new ATOM 932 N HIS A 477 -9.451 -45.235 -29.663 1.00 25.00 N ATOM 933 CA HIS A 477 -9.277 -44.734 -28.326 1.00 25.00 C ATOM 934 C HIS A 477 -9.517 -45.847 -27.315 1.00 25.00 C ATOM 935 O HIS A 477 -8.852 -45.901 -26.296 1.00 25.00 O ATOM 936 CB HIS A 477 -10.238 -43.573 -28.091 1.00 25.00 C ATOM 937 CG HIS A 477 -9.919 -42.777 -26.865 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.767 -41.872 -26.276 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.794 -42.753 -26.102 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.151 -41.357 -25.215 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.944 -41.863 -25.058 1.00 25.00 N ATOM 0 H HIS A 477 -10.221 -44.804 -30.175 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.255 -44.376 -28.201 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.219 -42.914 -28.959 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.253 -43.962 -28.009 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.910 -43.345 -26.286 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.587 -40.615 -24.562 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.269 -41.645 -24.325 1.00 25.00 H new ATOM 949 N ALA A 478 -10.450 -46.749 -27.596 1.00 25.00 N ATOM 950 CA ALA A 478 -10.731 -47.835 -26.669 1.00 25.00 C ATOM 951 C ALA A 478 -9.474 -48.679 -26.448 1.00 25.00 C ATOM 952 O ALA A 478 -9.142 -49.013 -25.319 1.00 25.00 O ATOM 953 CB ALA A 478 -11.880 -48.705 -27.189 1.00 25.00 C ATOM 0 H ALA A 478 -11.016 -46.750 -28.445 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.035 -47.407 -25.714 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.075 -49.511 -26.482 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.777 -48.095 -27.300 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.607 -49.128 -28.156 1.00 25.00 H new ATOM 959 N ILE A 479 -8.769 -49.015 -27.519 1.00 25.00 N ATOM 960 CA ILE A 479 -7.565 -49.841 -27.394 1.00 25.00 C ATOM 961 C ILE A 479 -6.463 -49.043 -26.725 1.00 25.00 C ATOM 962 O ILE A 479 -5.687 -49.584 -25.957 1.00 25.00 O ATOM 963 CB ILE A 479 -7.044 -50.343 -28.758 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.163 -51.046 -29.531 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.866 -51.331 -28.579 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.404 -50.396 -30.827 1.00 25.00 C ATOM 0 H ILE A 479 -9.000 -48.736 -28.472 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.840 -50.709 -26.795 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.698 -49.472 -29.315 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.898 -52.091 -29.689 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.079 -51.035 -28.940 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.521 -51.667 -29.557 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.049 -50.832 -28.057 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.197 -52.191 -27.996 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.204 -50.918 -31.353 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.693 -49.358 -30.665 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.494 -50.430 -31.426 1.00 25.00 H new ATOM 978 N ALA A 480 -6.407 -47.748 -26.997 1.00 25.00 N ATOM 979 CA ALA A 480 -5.397 -46.885 -26.397 1.00 25.00 C ATOM 980 C ALA A 480 -5.517 -46.936 -24.861 1.00 25.00 C ATOM 981 O ALA A 480 -4.545 -46.732 -24.134 1.00 25.00 O ATOM 982 CB ALA A 480 -5.567 -45.446 -26.925 1.00 25.00 C ATOM 0 H ALA A 480 -7.049 -47.270 -27.629 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.401 -47.233 -26.671 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.811 -44.802 -26.476 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.451 -45.440 -28.009 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.559 -45.078 -26.664 1.00 25.00 H new ATOM 988 N LEU A 481 -6.714 -47.221 -24.372 1.00 25.00 N ATOM 989 CA LEU A 481 -6.933 -47.378 -22.930 1.00 25.00 C ATOM 990 C LEU A 481 -6.523 -48.762 -22.483 1.00 25.00 C ATOM 991 O LEU A 481 -5.891 -48.936 -21.452 1.00 25.00 O ATOM 992 CB LEU A 481 -8.389 -47.133 -22.568 1.00 25.00 C ATOM 993 CG LEU A 481 -8.811 -45.741 -23.012 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.314 -45.713 -23.211 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.376 -44.659 -22.032 1.00 25.00 C ATOM 0 H LEU A 481 -7.549 -47.349 -24.944 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.319 -46.638 -22.417 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.021 -47.882 -23.044 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.527 -47.237 -21.492 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.309 -45.522 -23.955 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.620 -44.717 -23.529 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.594 -46.440 -23.974 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.810 -45.963 -22.273 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.702 -43.685 -22.397 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.824 -44.850 -21.057 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.290 -44.667 -21.940 1.00 25.00 H new ATOM 1007 N MET A 482 -6.877 -49.758 -23.275 1.00 25.00 N ATOM 1008 CA MET A 482 -6.551 -51.144 -22.945 1.00 25.00 C ATOM 1009 C MET A 482 -5.067 -51.357 -22.859 1.00 25.00 C ATOM 1010 O MET A 482 -4.604 -52.253 -22.169 1.00 25.00 O ATOM 1011 CB MET A 482 -7.104 -52.101 -23.994 1.00 25.00 C ATOM 1012 CG MET A 482 -8.567 -51.999 -24.079 1.00 25.00 C ATOM 1013 SD MET A 482 -9.378 -53.470 -24.727 1.00 25.00 S ATOM 1014 CE MET A 482 -9.163 -53.230 -26.487 1.00 25.00 C ATOM 0 H MET A 482 -7.389 -49.639 -24.149 1.00 25.00 H new ATOM 0 HA MET A 482 -7.006 -51.346 -21.975 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.663 -51.876 -24.965 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.821 -53.124 -23.744 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.963 -51.788 -23.085 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.824 -51.149 -24.711 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.615 -54.063 -27.026 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.644 -52.299 -26.789 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.099 -53.181 -26.720 1.00 25.00 H new ATOM 1024 N THR A 483 -4.311 -50.547 -23.568 1.00 25.00 N ATOM 1025 CA THR A 483 -2.869 -50.755 -23.592 1.00 25.00 C ATOM 1026 C THR A 483 -2.239 -50.237 -22.308 1.00 25.00 C ATOM 1027 O THR A 483 -1.314 -50.851 -21.775 1.00 25.00 O ATOM 1028 CB THR A 483 -2.243 -50.122 -24.830 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.651 -48.758 -24.920 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.718 -50.857 -26.085 1.00 25.00 C ATOM 0 H THR A 483 -4.651 -49.760 -24.121 1.00 25.00 H new ATOM 0 HA THR A 483 -2.672 -51.826 -23.650 1.00 25.00 H new ATOM 0 HB THR A 483 -1.158 -50.187 -24.753 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.249 -48.348 -25.714 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.268 -50.400 -26.966 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.422 -51.904 -26.027 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.804 -50.791 -26.157 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.747 -49.130 -21.785 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.237 -48.598 -20.522 1.00 25.00 C ATOM 1040 C GLN A 484 -2.822 -49.376 -19.337 1.00 25.00 C ATOM 1041 O GLN A 484 -2.183 -49.483 -18.295 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.492 -47.086 -20.401 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.931 -46.649 -20.590 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.074 -45.150 -20.639 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.948 -44.471 -19.635 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.328 -44.627 -21.810 1.00 25.00 N ATOM 0 H GLN A 484 -3.501 -48.587 -22.206 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.155 -48.733 -20.507 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.157 -46.756 -19.418 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.875 -46.571 -21.137 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.320 -47.079 -21.513 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.538 -47.043 -19.774 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.426 -45.229 -22.627 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.428 -43.616 -21.906 1.00 25.00 H new ATOM 1055 N PHE A 485 -4.013 -49.947 -19.489 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.582 -50.780 -18.454 1.00 25.00 C ATOM 1057 C PHE A 485 -3.872 -52.131 -18.419 1.00 25.00 C ATOM 1058 O PHE A 485 -3.684 -52.716 -17.352 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.063 -50.998 -18.738 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.953 -49.883 -18.243 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.858 -49.245 -19.115 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.904 -49.471 -16.895 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.696 -48.198 -18.655 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.738 -48.426 -16.424 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.630 -47.787 -17.309 1.00 25.00 C ATOM 0 H PHE A 485 -4.596 -49.844 -20.320 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.458 -50.285 -17.491 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.204 -51.111 -19.813 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.378 -51.933 -18.275 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.914 -49.558 -20.147 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.223 -49.958 -16.213 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -9.383 -47.717 -19.335 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.690 -48.120 -15.389 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.261 -46.985 -16.956 1.00 25.00 H new