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 -107:sc= -0.133 (180deg=-1.42) USER MOD Single : A 433 MET CE :methyl -167:sc= -0.0292 (180deg=-0.348) USER MOD Single : A 434 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 436 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.1) USER MOD Single : A 464 GLN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 467 GLN : amide:sc=-0.00156 X(o=-0.0016,f=-0.45) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 477 HIS : no HD1:sc= -0.0925 X(o=-0.092,f=0) USER MOD Single : A 482 MET CE :methyl 176:sc= 0 (180deg=-0.0484) USER MOD Single : A 483 THR OG1 : rot 5:sc= 0.272 USER MOD Single : A 484 GLN : amide:sc= 0.34 X(o=0.34,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -29.795 -32.236 -12.482 1.00 25.00 N ATOM 114 CA GLU A 419 -30.020 -31.094 -13.369 1.00 25.00 C ATOM 115 C GLU A 419 -29.585 -29.797 -12.685 1.00 25.00 C ATOM 116 O GLU A 419 -29.069 -28.897 -13.313 1.00 25.00 O ATOM 117 CB GLU A 419 -31.517 -30.974 -13.683 1.00 25.00 C ATOM 118 CG GLU A 419 -32.167 -32.204 -14.313 1.00 25.00 C ATOM 119 CD GLU A 419 -31.720 -32.463 -15.737 1.00 25.00 C ATOM 120 OE1 GLU A 419 -31.465 -33.637 -16.064 1.00 25.00 O ATOM 121 OE2 GLU A 419 -31.644 -31.502 -16.527 1.00 25.00 O ATOM 0 HA GLU A 419 -29.443 -31.251 -14.280 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -32.045 -30.741 -12.758 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -31.661 -30.127 -14.354 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -31.937 -33.078 -13.704 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -33.250 -32.081 -14.298 1.00 25.00 H new ATOM 128 N VAL A 420 -29.810 -29.708 -11.379 1.00 25.00 N ATOM 129 CA VAL A 420 -29.475 -28.511 -10.615 1.00 25.00 C ATOM 130 C VAL A 420 -27.959 -28.403 -10.472 1.00 25.00 C ATOM 131 O VAL A 420 -27.403 -27.310 -10.507 1.00 25.00 O ATOM 132 CB VAL A 420 -30.144 -28.538 -9.199 1.00 25.00 C ATOM 133 CG1 VAL A 420 -29.855 -27.247 -8.417 1.00 25.00 C ATOM 134 CG2 VAL A 420 -31.667 -28.721 -9.338 1.00 25.00 C ATOM 0 H VAL A 420 -30.226 -30.456 -10.824 1.00 25.00 H new ATOM 0 HA VAL A 420 -29.856 -27.642 -11.152 1.00 25.00 H new ATOM 0 HB VAL A 420 -29.720 -29.377 -8.648 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -30.334 -27.299 -7.439 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -28.779 -27.133 -8.288 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -30.247 -26.392 -8.968 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -32.123 -28.739 -8.348 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -32.082 -27.894 -9.914 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -31.875 -29.660 -9.850 1.00 25.00 H new ATOM 144 N SER A 421 -27.289 -29.536 -10.325 1.00 25.00 N ATOM 145 CA SER A 421 -25.835 -29.542 -10.209 1.00 25.00 C ATOM 146 C SER A 421 -25.190 -29.137 -11.527 1.00 25.00 C ATOM 147 O SER A 421 -24.218 -28.387 -11.544 1.00 25.00 O ATOM 148 CB SER A 421 -25.348 -30.933 -9.817 1.00 25.00 C ATOM 149 OG SER A 421 -25.905 -31.321 -8.570 1.00 25.00 O ATOM 0 H SER A 421 -27.723 -30.458 -10.283 1.00 25.00 H new ATOM 0 HA SER A 421 -25.551 -28.824 -9.439 1.00 25.00 H new ATOM 0 HB2 SER A 421 -25.627 -31.653 -10.586 1.00 25.00 H new ATOM 0 HB3 SER A 421 -24.260 -30.940 -9.754 1.00 25.00 H new ATOM 0 HG SER A 421 -25.585 -32.216 -8.333 1.00 25.00 H new ATOM 155 N ASP A 422 -25.738 -29.622 -12.628 1.00 25.00 N ATOM 156 CA ASP A 422 -25.213 -29.285 -13.948 1.00 25.00 C ATOM 157 C ASP A 422 -25.528 -27.825 -14.256 1.00 25.00 C ATOM 158 O ASP A 422 -24.743 -27.123 -14.877 1.00 25.00 O ATOM 159 CB ASP A 422 -25.819 -30.205 -15.013 1.00 25.00 C ATOM 160 CG ASP A 422 -25.324 -31.643 -14.889 1.00 25.00 C ATOM 161 OD1 ASP A 422 -26.066 -32.567 -15.290 1.00 25.00 O ATOM 162 OD2 ASP A 422 -24.189 -31.850 -14.401 1.00 25.00 O ATOM 0 H ASP A 422 -26.543 -30.248 -12.639 1.00 25.00 H new ATOM 0 HA ASP A 422 -24.132 -29.427 -13.956 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -26.906 -30.189 -14.928 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -25.571 -29.822 -16.003 1.00 25.00 H new ATOM 167 N MET A 423 -26.676 -27.359 -13.790 1.00 25.00 N ATOM 168 CA MET A 423 -27.076 -25.960 -13.970 1.00 25.00 C ATOM 169 C MET A 423 -26.141 -25.044 -13.178 1.00 25.00 C ATOM 170 O MET A 423 -25.865 -23.925 -13.584 1.00 25.00 O ATOM 171 CB MET A 423 -28.525 -25.778 -13.509 1.00 25.00 C ATOM 172 CG MET A 423 -29.086 -24.368 -13.653 1.00 25.00 C ATOM 173 SD MET A 423 -30.840 -24.303 -13.154 1.00 25.00 S ATOM 174 CE MET A 423 -30.733 -24.703 -11.399 1.00 25.00 C ATOM 0 H MET A 423 -27.354 -27.927 -13.281 1.00 25.00 H new ATOM 0 HA MET A 423 -27.006 -25.695 -15.025 1.00 25.00 H new ATOM 0 HB2 MET A 423 -29.157 -26.462 -14.076 1.00 25.00 H new ATOM 0 HB3 MET A 423 -28.595 -26.073 -12.462 1.00 25.00 H new ATOM 0 HG2 MET A 423 -28.505 -23.678 -13.041 1.00 25.00 H new ATOM 0 HG3 MET A 423 -28.987 -24.038 -14.687 1.00 25.00 H new ATOM 0 HE1 MET A 423 -31.105 -25.714 -11.233 1.00 25.00 H new ATOM 0 HE2 MET A 423 -29.694 -24.641 -11.074 1.00 25.00 H new ATOM 0 HE3 MET A 423 -31.335 -23.996 -10.827 1.00 25.00 H new ATOM 184 N ALA A 424 -25.634 -25.526 -12.052 1.00 25.00 N ATOM 185 CA ALA A 424 -24.694 -24.743 -11.254 1.00 25.00 C ATOM 186 C ALA A 424 -23.378 -24.573 -12.023 1.00 25.00 C ATOM 187 O ALA A 424 -22.686 -23.569 -11.868 1.00 25.00 O ATOM 188 CB ALA A 424 -24.450 -25.421 -9.900 1.00 25.00 C ATOM 0 H ALA A 424 -25.853 -26.446 -11.671 1.00 25.00 H new ATOM 0 HA ALA A 424 -25.119 -23.757 -11.066 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -23.747 -24.826 -9.316 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -25.393 -25.503 -9.359 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -24.036 -26.416 -10.061 1.00 25.00 H new ATOM 194 N ALA A 425 -23.044 -25.545 -12.861 1.00 25.00 N ATOM 195 CA ALA A 425 -21.844 -25.448 -13.686 1.00 25.00 C ATOM 196 C ALA A 425 -22.070 -24.396 -14.781 1.00 25.00 C ATOM 197 O ALA A 425 -21.151 -23.674 -15.148 1.00 25.00 O ATOM 198 CB ALA A 425 -21.501 -26.811 -14.303 1.00 25.00 C ATOM 0 H ALA A 425 -23.581 -26.403 -12.988 1.00 25.00 H new ATOM 0 HA ALA A 425 -21.001 -25.144 -13.065 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -20.603 -26.718 -14.914 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -21.325 -27.536 -13.508 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -22.330 -27.148 -14.925 1.00 25.00 H new ATOM 204 N VAL A 426 -23.298 -24.302 -15.282 1.00 25.00 N ATOM 205 CA VAL A 426 -23.641 -23.292 -16.289 1.00 25.00 C ATOM 206 C VAL A 426 -23.529 -21.912 -15.649 1.00 25.00 C ATOM 207 O VAL A 426 -22.967 -21.002 -16.239 1.00 25.00 O ATOM 208 CB VAL A 426 -25.083 -23.494 -16.854 1.00 25.00 C ATOM 209 CG1 VAL A 426 -25.429 -22.406 -17.877 1.00 25.00 C ATOM 210 CG2 VAL A 426 -25.207 -24.871 -17.514 1.00 25.00 C ATOM 0 H VAL A 426 -24.072 -24.908 -15.011 1.00 25.00 H new ATOM 0 HA VAL A 426 -22.949 -23.390 -17.125 1.00 25.00 H new ATOM 0 HB VAL A 426 -25.781 -23.426 -16.020 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -26.438 -22.570 -18.255 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -25.374 -21.427 -17.400 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -24.721 -22.446 -18.705 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -26.217 -24.998 -17.903 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -24.490 -24.948 -18.332 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -25.002 -25.647 -16.777 1.00 25.00 H new ATOM 220 N GLU A 427 -24.041 -21.763 -14.435 1.00 25.00 N ATOM 221 CA GLU A 427 -23.950 -20.489 -13.720 1.00 25.00 C ATOM 222 C GLU A 427 -22.487 -20.102 -13.545 1.00 25.00 C ATOM 223 O GLU A 427 -22.107 -18.960 -13.774 1.00 25.00 O ATOM 224 CB GLU A 427 -24.600 -20.600 -12.339 1.00 25.00 C ATOM 225 CG GLU A 427 -26.123 -20.679 -12.360 1.00 25.00 C ATOM 226 CD GLU A 427 -26.814 -19.339 -12.097 1.00 25.00 C ATOM 227 OE1 GLU A 427 -26.356 -18.574 -11.217 1.00 25.00 O ATOM 228 OE2 GLU A 427 -27.835 -19.064 -12.764 1.00 25.00 O ATOM 0 H GLU A 427 -24.522 -22.502 -13.923 1.00 25.00 H new ATOM 0 HA GLU A 427 -24.472 -19.730 -14.303 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -24.210 -21.486 -11.838 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -24.302 -19.739 -11.741 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -26.445 -21.059 -13.330 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -26.451 -21.400 -11.611 1.00 25.00 H new ATOM 235 N ALA A 428 -21.656 -21.057 -13.149 1.00 25.00 N ATOM 236 CA ALA A 428 -20.236 -20.789 -12.955 1.00 25.00 C ATOM 237 C ALA A 428 -19.588 -20.352 -14.274 1.00 25.00 C ATOM 238 O ALA A 428 -18.745 -19.450 -14.290 1.00 25.00 O ATOM 239 CB ALA A 428 -19.537 -22.034 -12.397 1.00 25.00 C ATOM 0 H ALA A 428 -21.937 -22.018 -12.957 1.00 25.00 H new ATOM 0 HA ALA A 428 -20.127 -19.977 -12.236 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -18.477 -21.823 -12.256 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -19.984 -22.304 -11.440 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -19.652 -22.861 -13.098 1.00 25.00 H new ATOM 245 N ALA A 429 -19.989 -20.983 -15.369 1.00 25.00 N ATOM 246 CA ALA A 429 -19.457 -20.647 -16.681 1.00 25.00 C ATOM 247 C ALA A 429 -19.864 -19.224 -17.068 1.00 25.00 C ATOM 248 O ALA A 429 -19.045 -18.460 -17.547 1.00 25.00 O ATOM 249 CB ALA A 429 -19.949 -21.654 -17.730 1.00 25.00 C ATOM 0 H ALA A 429 -20.682 -21.731 -15.374 1.00 25.00 H new ATOM 0 HA ALA A 429 -18.369 -20.696 -16.641 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -19.543 -21.390 -18.706 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -19.616 -22.655 -17.457 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -21.038 -21.633 -17.772 1.00 25.00 H new ATOM 255 N GLU A 430 -21.122 -18.870 -16.852 1.00 25.00 N ATOM 256 CA GLU A 430 -21.611 -17.529 -17.191 1.00 25.00 C ATOM 257 C GLU A 430 -20.835 -16.489 -16.396 1.00 25.00 C ATOM 258 O GLU A 430 -20.385 -15.465 -16.931 1.00 25.00 O ATOM 259 CB GLU A 430 -23.105 -17.405 -16.868 1.00 25.00 C ATOM 260 CG GLU A 430 -24.003 -18.287 -17.727 1.00 25.00 C ATOM 261 CD GLU A 430 -24.897 -17.478 -18.656 1.00 25.00 C ATOM 262 OE1 GLU A 430 -24.358 -16.738 -19.509 1.00 25.00 O ATOM 263 OE2 GLU A 430 -26.138 -17.588 -18.542 1.00 25.00 O ATOM 0 H GLU A 430 -21.826 -19.486 -16.445 1.00 25.00 H new ATOM 0 HA GLU A 430 -21.466 -17.363 -18.259 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -23.261 -17.658 -15.819 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -23.408 -16.365 -16.993 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -23.385 -18.962 -18.319 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -24.623 -18.908 -17.080 1.00 25.00 H new ATOM 270 N LEU A 431 -20.668 -16.758 -15.110 1.00 25.00 N ATOM 271 CA LEU A 431 -19.962 -15.842 -14.222 1.00 25.00 C ATOM 272 C LEU A 431 -18.512 -15.641 -14.658 1.00 25.00 C ATOM 273 O LEU A 431 -18.017 -14.507 -14.661 1.00 25.00 O ATOM 274 CB LEU A 431 -20.006 -16.364 -12.779 1.00 25.00 C ATOM 275 CG LEU A 431 -21.371 -16.308 -12.060 1.00 25.00 C ATOM 276 CD1 LEU A 431 -21.275 -17.068 -10.738 1.00 25.00 C ATOM 277 CD2 LEU A 431 -21.808 -14.862 -11.793 1.00 25.00 C ATOM 0 H LEU A 431 -21.012 -17.604 -14.656 1.00 25.00 H new ATOM 0 HA LEU A 431 -20.466 -14.877 -14.275 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -19.666 -17.400 -12.782 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -19.288 -15.794 -12.189 1.00 25.00 H new ATOM 0 HG LEU A 431 -22.118 -16.769 -12.707 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -22.237 -17.031 -10.226 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -21.008 -18.106 -10.934 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -20.512 -16.609 -10.109 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -22.773 -14.861 -11.286 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -21.067 -14.368 -11.164 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -21.895 -14.328 -12.739 1.00 25.00 H new ATOM 289 N GLU A 432 -17.805 -16.706 -15.016 1.00 25.00 N ATOM 290 CA GLU A 432 -16.415 -16.535 -15.436 1.00 25.00 C ATOM 291 C GLU A 432 -16.289 -15.960 -16.851 1.00 25.00 C ATOM 292 O GLU A 432 -15.376 -15.167 -17.100 1.00 25.00 O ATOM 293 CB GLU A 432 -15.578 -17.813 -15.260 1.00 25.00 C ATOM 294 CG GLU A 432 -15.803 -18.933 -16.268 1.00 25.00 C ATOM 295 CD GLU A 432 -14.787 -20.058 -16.085 1.00 25.00 C ATOM 296 OE1 GLU A 432 -14.259 -20.212 -14.958 1.00 25.00 O ATOM 297 OE2 GLU A 432 -14.502 -20.775 -17.066 1.00 25.00 O ATOM 0 H GLU A 432 -18.152 -17.665 -15.026 1.00 25.00 H new ATOM 0 HA GLU A 432 -15.994 -15.792 -14.759 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -14.525 -17.535 -15.293 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -15.772 -18.210 -14.264 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -16.812 -19.330 -16.155 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -15.729 -18.535 -17.280 1.00 25.00 H new ATOM 304 N MET A 433 -17.189 -16.320 -17.761 1.00 25.00 N ATOM 305 CA MET A 433 -17.140 -15.808 -19.137 1.00 25.00 C ATOM 306 C MET A 433 -17.315 -14.308 -19.141 1.00 25.00 C ATOM 307 O MET A 433 -16.653 -13.608 -19.901 1.00 25.00 O ATOM 308 CB MET A 433 -18.233 -16.423 -20.018 1.00 25.00 C ATOM 309 CG MET A 433 -17.914 -17.822 -20.524 1.00 25.00 C ATOM 310 SD MET A 433 -19.123 -18.392 -21.755 1.00 25.00 S ATOM 311 CE MET A 433 -20.633 -18.597 -20.759 1.00 25.00 C ATOM 0 H MET A 433 -17.960 -16.962 -17.577 1.00 25.00 H new ATOM 0 HA MET A 433 -16.166 -16.083 -19.543 1.00 25.00 H new ATOM 0 HB2 MET A 433 -19.164 -16.457 -19.452 1.00 25.00 H new ATOM 0 HB3 MET A 433 -18.404 -15.770 -20.874 1.00 25.00 H new ATOM 0 HG2 MET A 433 -16.917 -17.830 -20.964 1.00 25.00 H new ATOM 0 HG3 MET A 433 -17.897 -18.516 -19.684 1.00 25.00 H new ATOM 0 HE1 MET A 433 -21.374 -19.154 -21.332 1.00 25.00 H new ATOM 0 HE2 MET A 433 -20.395 -19.143 -19.846 1.00 25.00 H new ATOM 0 HE3 MET A 433 -21.035 -17.617 -20.502 1.00 25.00 H new ATOM 321 N THR A 434 -18.192 -13.812 -18.278 1.00 25.00 N ATOM 322 CA THR A 434 -18.452 -12.374 -18.168 1.00 25.00 C ATOM 323 C THR A 434 -17.145 -11.601 -17.961 1.00 25.00 C ATOM 324 O THR A 434 -16.968 -10.493 -18.460 1.00 25.00 O ATOM 325 CB THR A 434 -19.422 -12.082 -16.987 1.00 25.00 C ATOM 326 OG1 THR A 434 -20.656 -12.766 -17.206 1.00 25.00 O ATOM 327 CG2 THR A 434 -19.744 -10.598 -16.871 1.00 25.00 C ATOM 0 H THR A 434 -18.741 -14.385 -17.638 1.00 25.00 H new ATOM 0 HA THR A 434 -18.914 -12.045 -19.099 1.00 25.00 H new ATOM 0 HB THR A 434 -18.929 -12.418 -16.075 1.00 25.00 H new ATOM 0 HG1 THR A 434 -20.546 -13.716 -16.992 1.00 25.00 H new ATOM 0 HG21 THR A 434 -20.424 -10.438 -16.034 1.00 25.00 H new ATOM 0 HG22 THR A 434 -18.824 -10.038 -16.703 1.00 25.00 H new ATOM 0 HG23 THR A 434 -20.215 -10.255 -17.792 1.00 25.00 H new ATOM 335 N ARG A 435 -16.214 -12.193 -17.232 1.00 25.00 N ATOM 336 CA ARG A 435 -14.944 -11.525 -16.926 1.00 25.00 C ATOM 337 C ARG A 435 -14.086 -11.322 -18.163 1.00 25.00 C ATOM 338 O ARG A 435 -13.444 -10.288 -18.306 1.00 25.00 O ATOM 339 CB ARG A 435 -14.167 -12.316 -15.878 1.00 25.00 C ATOM 340 CG ARG A 435 -14.976 -12.558 -14.619 1.00 25.00 C ATOM 341 CD ARG A 435 -14.083 -12.891 -13.439 1.00 25.00 C ATOM 342 NE ARG A 435 -13.409 -14.189 -13.609 1.00 25.00 N ATOM 343 CZ ARG A 435 -12.421 -14.644 -12.846 1.00 25.00 C ATOM 344 NH1 ARG A 435 -11.926 -13.945 -11.851 1.00 25.00 N ATOM 345 NH2 ARG A 435 -11.923 -15.823 -13.089 1.00 25.00 N ATOM 0 H ARG A 435 -16.305 -13.130 -16.839 1.00 25.00 H new ATOM 0 HA ARG A 435 -15.189 -10.539 -16.532 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -13.863 -13.274 -16.301 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -13.255 -11.777 -15.622 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -15.568 -11.672 -14.390 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -15.677 -13.375 -14.788 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -13.335 -12.107 -13.317 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -14.679 -12.908 -12.526 1.00 25.00 H new ATOM 0 HE ARG A 435 -13.726 -14.786 -14.373 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -12.300 -13.019 -11.642 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -11.167 -14.328 -11.287 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -12.292 -16.384 -13.857 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -11.164 -16.185 -12.511 1.00 25.00 H new ATOM 359 N GLN A 436 -14.077 -12.292 -19.063 1.00 25.00 N ATOM 360 CA GLN A 436 -13.327 -12.135 -20.314 1.00 25.00 C ATOM 361 C GLN A 436 -14.116 -11.228 -21.254 1.00 25.00 C ATOM 362 O GLN A 436 -13.550 -10.390 -21.947 1.00 25.00 O ATOM 363 CB GLN A 436 -13.070 -13.476 -21.008 1.00 25.00 C ATOM 364 CG GLN A 436 -12.133 -14.413 -20.243 1.00 25.00 C ATOM 365 CD GLN A 436 -12.874 -15.377 -19.348 1.00 25.00 C ATOM 366 OE1 GLN A 436 -13.767 -16.063 -19.785 1.00 25.00 O ATOM 367 NE2 GLN A 436 -12.496 -15.434 -18.101 1.00 25.00 N ATOM 0 H GLN A 436 -14.567 -13.181 -18.962 1.00 25.00 H new ATOM 0 HA GLN A 436 -12.359 -11.698 -20.071 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -14.024 -13.981 -21.161 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -12.648 -13.286 -21.995 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -11.529 -14.976 -20.954 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -11.446 -13.820 -19.640 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -11.737 -14.838 -17.770 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -12.959 -16.075 -17.456 1.00 25.00 H new ATOM 376 N VAL A 437 -15.428 -11.400 -21.256 1.00 25.00 N ATOM 377 CA VAL A 437 -16.340 -10.630 -22.103 1.00 25.00 C ATOM 378 C VAL A 437 -16.190 -9.126 -21.870 1.00 25.00 C ATOM 379 O VAL A 437 -16.197 -8.341 -22.821 1.00 25.00 O ATOM 380 CB VAL A 437 -17.804 -11.112 -21.830 1.00 25.00 C ATOM 381 CG1 VAL A 437 -18.841 -10.039 -22.116 1.00 25.00 C ATOM 382 CG2 VAL A 437 -18.102 -12.376 -22.648 1.00 25.00 C ATOM 0 H VAL A 437 -15.900 -12.084 -20.665 1.00 25.00 H new ATOM 0 HA VAL A 437 -16.092 -10.803 -23.150 1.00 25.00 H new ATOM 0 HB VAL A 437 -17.874 -11.338 -20.766 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -19.837 -10.431 -21.909 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -18.653 -9.173 -21.482 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -18.779 -9.743 -23.163 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -19.123 -12.704 -22.452 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -17.989 -12.157 -23.710 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -17.406 -13.166 -22.364 1.00 25.00 H new ATOM 392 N LEU A 438 -16.024 -8.719 -20.622 1.00 25.00 N ATOM 393 CA LEU A 438 -15.865 -7.301 -20.289 1.00 25.00 C ATOM 394 C LEU A 438 -14.606 -6.672 -20.882 1.00 25.00 C ATOM 395 O LEU A 438 -14.527 -5.455 -21.011 1.00 25.00 O ATOM 396 CB LEU A 438 -15.832 -7.131 -18.767 1.00 25.00 C ATOM 397 CG LEU A 438 -17.193 -7.232 -18.059 1.00 25.00 C ATOM 398 CD1 LEU A 438 -16.973 -7.363 -16.554 1.00 25.00 C ATOM 399 CD2 LEU A 438 -18.072 -6.013 -18.354 1.00 25.00 C ATOM 0 H LEU A 438 -15.995 -9.346 -19.818 1.00 25.00 H new ATOM 0 HA LEU A 438 -16.720 -6.785 -20.727 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -15.168 -7.887 -18.349 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -15.394 -6.160 -18.537 1.00 25.00 H new ATOM 0 HG LEU A 438 -17.711 -8.114 -18.437 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -17.937 -7.435 -16.050 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -16.389 -8.260 -16.348 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -16.436 -6.488 -16.187 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -19.026 -6.119 -17.837 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -17.570 -5.110 -18.007 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -18.247 -5.942 -19.428 1.00 25.00 H new ATOM 720 N ALA A 462 -18.034 -33.364 -45.741 1.00 25.00 N ATOM 721 CA ALA A 462 -17.083 -33.349 -44.640 1.00 25.00 C ATOM 722 C ALA A 462 -17.685 -34.046 -43.424 1.00 25.00 C ATOM 723 O ALA A 462 -17.027 -34.867 -42.791 1.00 25.00 O ATOM 724 CB ALA A 462 -16.700 -31.912 -44.294 1.00 25.00 C ATOM 0 HA ALA A 462 -16.183 -33.884 -44.942 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.988 -31.914 -43.469 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.246 -31.437 -45.164 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.592 -31.358 -44.002 1.00 25.00 H new ATOM 730 N LEU A 463 -18.933 -33.733 -43.101 1.00 25.00 N ATOM 731 CA LEU A 463 -19.581 -34.347 -41.947 1.00 25.00 C ATOM 732 C LEU A 463 -19.799 -35.836 -42.175 1.00 25.00 C ATOM 733 O LEU A 463 -19.617 -36.606 -41.257 1.00 25.00 O ATOM 734 CB LEU A 463 -20.875 -33.608 -41.557 1.00 25.00 C ATOM 735 CG LEU A 463 -22.255 -34.048 -42.083 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.870 -35.205 -41.282 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.189 -32.859 -42.011 1.00 25.00 C ATOM 0 H LEU A 463 -19.511 -33.067 -43.613 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.911 -34.250 -41.093 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.932 -33.627 -40.469 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.744 -32.567 -41.851 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.118 -34.404 -43.104 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.840 -35.465 -41.705 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.210 -36.071 -41.329 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.997 -34.901 -40.243 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.174 -33.147 -42.379 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.272 -32.523 -40.977 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.795 -32.049 -42.625 1.00 25.00 H new ATOM 749 N GLN A 464 -20.158 -36.259 -43.382 1.00 25.00 N ATOM 750 CA GLN A 464 -20.310 -37.693 -43.655 1.00 25.00 C ATOM 751 C GLN A 464 -19.033 -38.442 -43.293 1.00 25.00 C ATOM 752 O GLN A 464 -19.075 -39.538 -42.735 1.00 25.00 O ATOM 753 CB GLN A 464 -20.653 -37.944 -45.122 1.00 25.00 C ATOM 754 CG GLN A 464 -22.068 -37.551 -45.474 1.00 25.00 C ATOM 755 CD GLN A 464 -22.466 -38.004 -46.851 1.00 25.00 C ATOM 756 OE1 GLN A 464 -21.832 -37.686 -47.853 1.00 25.00 O ATOM 757 NE2 GLN A 464 -23.520 -38.759 -46.907 1.00 25.00 N ATOM 0 H GLN A 464 -20.347 -35.648 -44.176 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.131 -38.061 -43.040 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -19.960 -37.386 -45.752 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -20.509 -39.001 -45.347 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.753 -37.979 -44.742 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.168 -36.468 -45.409 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.020 -39.001 -46.052 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -23.848 -39.110 -47.806 1.00 25.00 H new ATOM 766 N GLY A 465 -17.902 -37.829 -43.596 1.00 25.00 N ATOM 767 CA GLY A 465 -16.624 -38.421 -43.257 1.00 25.00 C ATOM 768 C GLY A 465 -16.413 -38.367 -41.764 1.00 25.00 C ATOM 769 O GLY A 465 -16.097 -39.372 -41.153 1.00 25.00 O ATOM 0 H GLY A 465 -17.844 -36.929 -44.072 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -16.590 -39.455 -43.601 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -15.820 -37.889 -43.766 1.00 25.00 H new ATOM 773 N ALA A 466 -16.606 -37.196 -41.175 1.00 25.00 N ATOM 774 CA ALA A 466 -16.416 -36.997 -39.740 1.00 25.00 C ATOM 775 C ALA A 466 -17.241 -37.975 -38.891 1.00 25.00 C ATOM 776 O ALA A 466 -16.781 -38.446 -37.863 1.00 25.00 O ATOM 777 CB ALA A 466 -16.775 -35.557 -39.375 1.00 25.00 C ATOM 0 H ALA A 466 -16.898 -36.356 -41.675 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.367 -37.194 -39.519 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.634 -35.407 -38.305 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.132 -34.871 -39.926 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.816 -35.365 -39.634 1.00 25.00 H new ATOM 783 N GLN A 467 -18.449 -38.287 -39.328 1.00 25.00 N ATOM 784 CA GLN A 467 -19.311 -39.212 -38.592 1.00 25.00 C ATOM 785 C GLN A 467 -18.777 -40.635 -38.713 1.00 25.00 C ATOM 786 O GLN A 467 -18.742 -41.384 -37.739 1.00 25.00 O ATOM 787 CB GLN A 467 -20.721 -39.176 -39.172 1.00 25.00 C ATOM 788 CG GLN A 467 -21.477 -37.853 -38.967 1.00 25.00 C ATOM 789 CD GLN A 467 -21.849 -37.571 -37.531 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.159 -38.464 -36.764 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.826 -36.313 -37.169 1.00 25.00 N ATOM 0 H GLN A 467 -18.859 -37.918 -40.186 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.327 -38.910 -37.545 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.663 -39.381 -40.241 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.302 -39.982 -38.724 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.862 -37.034 -39.339 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.385 -37.869 -39.570 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.561 -35.594 -37.842 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.073 -36.052 -36.214 1.00 25.00 H new ATOM 800 N ALA A 468 -18.366 -41.010 -39.916 1.00 25.00 N ATOM 801 CA ALA A 468 -17.863 -42.357 -40.157 1.00 25.00 C ATOM 802 C ALA A 468 -16.563 -42.580 -39.383 1.00 25.00 C ATOM 803 O ALA A 468 -16.373 -43.620 -38.750 1.00 25.00 O ATOM 804 CB ALA A 468 -17.640 -42.572 -41.660 1.00 25.00 C ATOM 0 H ALA A 468 -18.370 -40.405 -40.737 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.600 -43.080 -39.808 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.264 -43.581 -41.831 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.583 -42.441 -42.190 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -16.914 -41.847 -42.027 1.00 25.00 H new ATOM 810 N VAL A 469 -15.670 -41.603 -39.420 1.00 25.00 N ATOM 811 CA VAL A 469 -14.404 -41.733 -38.713 1.00 25.00 C ATOM 812 C VAL A 469 -14.626 -41.666 -37.215 1.00 25.00 C ATOM 813 O VAL A 469 -13.870 -42.253 -36.484 1.00 25.00 O ATOM 814 CB VAL A 469 -13.326 -40.687 -39.146 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.093 -40.769 -40.653 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.711 -39.281 -38.749 1.00 25.00 C ATOM 0 H VAL A 469 -15.794 -40.724 -39.923 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.007 -42.710 -38.988 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.401 -40.930 -38.624 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.340 -40.037 -40.945 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -12.747 -41.769 -40.914 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.026 -40.560 -41.177 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -12.934 -38.587 -39.069 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.655 -39.014 -39.225 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.823 -39.226 -37.666 1.00 25.00 H new ATOM 826 N ALA A 470 -15.655 -40.971 -36.747 1.00 25.00 N ATOM 827 CA ALA A 470 -15.912 -40.882 -35.304 1.00 25.00 C ATOM 828 C ALA A 470 -16.105 -42.276 -34.702 1.00 25.00 C ATOM 829 O ALA A 470 -15.671 -42.539 -33.577 1.00 25.00 O ATOM 830 CB ALA A 470 -17.138 -40.004 -35.024 1.00 25.00 C ATOM 0 H ALA A 470 -16.321 -40.465 -37.331 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.044 -40.421 -34.833 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.310 -39.952 -33.949 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.963 -39.001 -35.413 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.013 -40.435 -35.511 1.00 25.00 H new ATOM 836 N ALA A 471 -16.733 -43.172 -35.452 1.00 25.00 N ATOM 837 CA ALA A 471 -16.916 -44.546 -34.994 1.00 25.00 C ATOM 838 C ALA A 471 -15.548 -45.234 -34.866 1.00 25.00 C ATOM 839 O ALA A 471 -15.314 -46.010 -33.946 1.00 25.00 O ATOM 840 CB ALA A 471 -17.819 -45.310 -35.968 1.00 25.00 C ATOM 0 H ALA A 471 -17.122 -42.976 -36.374 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.397 -44.540 -34.016 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.949 -46.334 -35.617 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.791 -44.820 -36.024 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.361 -45.321 -36.957 1.00 25.00 H new ATOM 846 N ALA A 472 -14.643 -44.931 -35.784 1.00 25.00 N ATOM 847 CA ALA A 472 -13.289 -45.474 -35.734 1.00 25.00 C ATOM 848 C ALA A 472 -12.476 -44.819 -34.609 1.00 25.00 C ATOM 849 O ALA A 472 -11.613 -45.452 -34.023 1.00 25.00 O ATOM 850 CB ALA A 472 -12.591 -45.278 -37.088 1.00 25.00 C ATOM 0 H ALA A 472 -14.819 -44.311 -36.575 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.354 -46.541 -35.523 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.582 -45.687 -37.040 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.154 -45.794 -37.866 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.541 -44.214 -37.321 1.00 25.00 H new ATOM 856 N GLN A 473 -12.747 -43.557 -34.305 1.00 25.00 N ATOM 857 CA GLN A 473 -12.010 -42.855 -33.258 1.00 25.00 C ATOM 858 C GLN A 473 -12.376 -43.375 -31.882 1.00 25.00 C ATOM 859 O GLN A 473 -11.507 -43.634 -31.060 1.00 25.00 O ATOM 860 CB GLN A 473 -12.282 -41.345 -33.284 1.00 25.00 C ATOM 861 CG GLN A 473 -11.851 -40.621 -34.555 1.00 25.00 C ATOM 862 CD GLN A 473 -10.359 -40.440 -34.693 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.594 -40.659 -33.771 1.00 25.00 O ATOM 864 NE2 GLN A 473 -9.942 -40.034 -35.864 1.00 25.00 N ATOM 0 H GLN A 473 -13.467 -42.999 -34.764 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.954 -43.038 -33.457 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.350 -41.184 -33.140 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.773 -40.887 -32.436 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.219 -41.176 -35.418 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.328 -39.641 -34.580 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.613 -39.861 -36.612 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -8.946 -39.891 -36.029 1.00 25.00 H new ATOM 873 N ARG A 474 -13.663 -43.545 -31.619 1.00 25.00 N ATOM 874 CA ARG A 474 -14.084 -44.083 -30.318 1.00 25.00 C ATOM 875 C ARG A 474 -13.545 -45.503 -30.169 1.00 25.00 C ATOM 876 O ARG A 474 -13.296 -45.972 -29.064 1.00 25.00 O ATOM 877 CB ARG A 474 -15.613 -44.042 -30.149 1.00 25.00 C ATOM 878 CG ARG A 474 -16.398 -44.904 -31.125 1.00 25.00 C ATOM 879 CD ARG A 474 -17.897 -44.785 -30.910 1.00 25.00 C ATOM 880 NE ARG A 474 -18.309 -45.346 -29.609 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.558 -45.395 -29.154 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.573 -44.936 -29.846 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.789 -45.917 -27.982 1.00 25.00 N ATOM 0 H ARG A 474 -14.422 -43.327 -32.265 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.671 -43.456 -29.528 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.858 -44.356 -29.134 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.946 -43.009 -30.253 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.154 -44.610 -32.146 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.097 -45.946 -31.012 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.190 -43.736 -30.963 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.422 -45.304 -31.712 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.577 -45.727 -29.010 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.418 -44.524 -30.766 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.517 -44.991 -29.464 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.016 -46.282 -27.425 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.742 -45.960 -27.622 1.00 25.00 H new ATOM 897 N LEU A 475 -13.354 -46.171 -31.295 1.00 25.00 N ATOM 898 CA LEU A 475 -12.788 -47.510 -31.319 1.00 25.00 C ATOM 899 C LEU A 475 -11.284 -47.475 -31.020 1.00 25.00 C ATOM 900 O LEU A 475 -10.822 -48.195 -30.145 1.00 25.00 O ATOM 901 CB LEU A 475 -13.065 -48.147 -32.693 1.00 25.00 C ATOM 902 CG LEU A 475 -12.020 -49.104 -33.286 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.920 -50.396 -32.465 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.381 -49.439 -34.722 1.00 25.00 C ATOM 0 H LEU A 475 -13.586 -45.801 -32.217 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.257 -48.114 -30.543 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -14.008 -48.690 -32.622 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.216 -47.338 -33.408 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.052 -48.605 -33.258 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.172 -51.053 -32.910 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.630 -50.156 -31.442 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.887 -50.899 -32.459 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.635 -50.118 -35.136 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.361 -49.916 -34.749 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.406 -48.524 -35.314 1.00 25.00 H new ATOM 916 N VAL A 476 -10.511 -46.661 -31.734 1.00 25.00 N ATOM 917 CA VAL A 476 -9.059 -46.649 -31.539 1.00 25.00 C ATOM 918 C VAL A 476 -8.742 -46.191 -30.126 1.00 25.00 C ATOM 919 O VAL A 476 -7.809 -46.681 -29.496 1.00 25.00 O ATOM 920 CB VAL A 476 -8.305 -45.800 -32.619 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.623 -44.324 -32.524 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.800 -46.013 -32.509 1.00 25.00 C ATOM 0 H VAL A 476 -10.855 -46.011 -32.441 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.692 -47.667 -31.671 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.654 -46.147 -33.591 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.074 -43.783 -33.295 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.693 -44.172 -32.666 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.331 -43.951 -31.542 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.292 -45.416 -33.266 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.461 -45.708 -31.519 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.570 -47.067 -32.663 1.00 25.00 H new ATOM 932 N HIS A 477 -9.542 -45.270 -29.617 1.00 25.00 N ATOM 933 CA HIS A 477 -9.371 -44.782 -28.269 1.00 25.00 C ATOM 934 C HIS A 477 -9.569 -45.909 -27.263 1.00 25.00 C ATOM 935 O HIS A 477 -8.872 -45.968 -26.268 1.00 25.00 O ATOM 936 CB HIS A 477 -10.356 -43.651 -27.992 1.00 25.00 C ATOM 937 CG HIS A 477 -10.052 -42.898 -26.737 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.966 -42.163 -26.022 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.883 -42.769 -26.053 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.344 -41.646 -24.964 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.072 -41.983 -24.934 1.00 25.00 N ATOM 0 H HIS A 477 -10.319 -44.846 -30.124 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.355 -44.400 -28.165 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.350 -42.959 -28.834 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.363 -44.063 -27.926 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.944 -43.216 -26.343 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.824 -41.026 -24.222 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.377 -41.720 -24.235 1.00 25.00 H new ATOM 949 N ALA A 478 -10.500 -46.816 -27.528 1.00 25.00 N ATOM 950 CA ALA A 478 -10.742 -47.921 -26.608 1.00 25.00 C ATOM 951 C ALA A 478 -9.467 -48.761 -26.457 1.00 25.00 C ATOM 952 O ALA A 478 -9.096 -49.148 -25.354 1.00 25.00 O ATOM 953 CB ALA A 478 -11.907 -48.783 -27.105 1.00 25.00 C ATOM 0 H ALA A 478 -11.092 -46.811 -28.359 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.012 -47.519 -25.631 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.076 -49.604 -26.408 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.808 -48.173 -27.172 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.667 -49.186 -28.089 1.00 25.00 H new ATOM 959 N ILE A 479 -8.791 -49.033 -27.565 1.00 25.00 N ATOM 960 CA ILE A 479 -7.557 -49.817 -27.519 1.00 25.00 C ATOM 961 C ILE A 479 -6.439 -48.991 -26.911 1.00 25.00 C ATOM 962 O ILE A 479 -5.601 -49.520 -26.207 1.00 25.00 O ATOM 963 CB ILE A 479 -7.108 -50.275 -28.920 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.232 -51.047 -29.613 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.854 -51.179 -28.848 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.515 -50.487 -30.937 1.00 25.00 C ATOM 0 H ILE A 479 -9.069 -48.728 -28.498 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.765 -50.698 -26.912 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.863 -49.378 -29.489 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.951 -52.096 -29.710 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.133 -51.014 -29.000 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.566 -51.483 -29.854 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.034 -50.628 -28.387 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.077 -52.064 -28.252 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.318 -51.054 -31.408 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.819 -49.445 -30.834 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.619 -50.544 -31.555 1.00 25.00 H new ATOM 978 N ALA A 480 -6.437 -47.692 -27.163 1.00 25.00 N ATOM 979 CA ALA A 480 -5.403 -46.812 -26.625 1.00 25.00 C ATOM 980 C ALA A 480 -5.412 -46.878 -25.094 1.00 25.00 C ATOM 981 O ALA A 480 -4.394 -46.658 -24.437 1.00 25.00 O ATOM 982 CB ALA A 480 -5.621 -45.376 -27.111 1.00 25.00 C ATOM 0 H ALA A 480 -7.137 -47.221 -27.736 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.428 -47.144 -26.982 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.843 -44.731 -26.702 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.579 -45.350 -28.200 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.597 -45.023 -26.777 1.00 25.00 H new ATOM 988 N LEU A 481 -6.567 -47.191 -24.526 1.00 25.00 N ATOM 989 CA LEU A 481 -6.668 -47.335 -23.074 1.00 25.00 C ATOM 990 C LEU A 481 -6.080 -48.664 -22.676 1.00 25.00 C ATOM 991 O LEU A 481 -5.339 -48.763 -21.718 1.00 25.00 O ATOM 992 CB LEU A 481 -8.114 -47.244 -22.613 1.00 25.00 C ATOM 993 CG LEU A 481 -8.704 -45.890 -22.984 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.212 -46.007 -23.052 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.293 -44.794 -22.005 1.00 25.00 C ATOM 0 H LEU A 481 -7.437 -47.349 -25.035 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.117 -46.524 -22.597 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.700 -48.041 -23.071 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.168 -47.388 -21.534 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.310 -45.602 -23.959 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.640 -45.040 -23.317 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.486 -46.745 -23.806 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.597 -46.320 -22.081 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.738 -43.847 -22.311 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.640 -45.051 -21.004 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.207 -44.700 -21.999 1.00 25.00 H new ATOM 1007 N MET A 482 -6.394 -49.699 -23.428 1.00 25.00 N ATOM 1008 CA MET A 482 -5.861 -51.025 -23.136 1.00 25.00 C ATOM 1009 C MET A 482 -4.350 -51.047 -23.245 1.00 25.00 C ATOM 1010 O MET A 482 -3.683 -51.818 -22.566 1.00 25.00 O ATOM 1011 CB MET A 482 -6.448 -52.054 -24.093 1.00 25.00 C ATOM 1012 CG MET A 482 -7.930 -52.054 -24.028 1.00 25.00 C ATOM 1013 SD MET A 482 -8.675 -53.594 -24.604 1.00 25.00 S ATOM 1014 CE MET A 482 -8.549 -53.407 -26.386 1.00 25.00 C ATOM 0 H MET A 482 -7.010 -49.655 -24.240 1.00 25.00 H new ATOM 0 HA MET A 482 -6.141 -51.274 -22.112 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.125 -51.836 -25.111 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.069 -53.045 -23.844 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.241 -51.872 -22.999 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.312 -51.228 -24.628 1.00 25.00 H new ATOM 0 HE1 MET A 482 -8.905 -54.315 -26.873 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.156 -52.561 -26.707 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.509 -53.232 -26.661 1.00 25.00 H new ATOM 1024 N THR A 483 -3.803 -50.191 -24.092 1.00 25.00 N ATOM 1025 CA THR A 483 -2.356 -50.189 -24.308 1.00 25.00 C ATOM 1026 C THR A 483 -1.617 -49.447 -23.211 1.00 25.00 C ATOM 1027 O THR A 483 -0.402 -49.561 -23.101 1.00 25.00 O ATOM 1028 CB THR A 483 -1.989 -49.610 -25.678 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.597 -48.329 -25.846 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.497 -50.521 -26.777 1.00 25.00 C ATOM 0 H THR A 483 -4.322 -49.500 -24.634 1.00 25.00 H new ATOM 0 HA THR A 483 -2.040 -51.232 -24.280 1.00 25.00 H new ATOM 0 HB THR A 483 -0.904 -49.521 -25.734 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.047 -48.069 -25.015 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.232 -50.102 -27.748 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.044 -51.507 -26.671 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.581 -50.610 -26.704 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.347 -48.711 -22.385 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.743 -48.031 -21.240 1.00 25.00 C ATOM 1040 C GLN A 484 -2.150 -48.680 -19.915 1.00 25.00 C ATOM 1041 O GLN A 484 -1.353 -48.726 -18.993 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.038 -46.521 -21.258 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.500 -46.137 -21.116 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.726 -44.661 -21.315 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.465 -43.861 -20.438 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.205 -44.295 -22.475 1.00 25.00 N ATOM 0 H GLN A 484 -3.352 -48.568 -22.482 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.663 -48.146 -21.328 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.477 -46.050 -20.451 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.661 -46.106 -22.193 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.092 -46.694 -21.842 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.855 -46.426 -20.127 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.412 -44.997 -23.186 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.372 -43.308 -22.669 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.364 -49.206 -19.812 1.00 25.00 N ATOM 1056 CA PHE A 485 -3.797 -49.870 -18.598 1.00 25.00 C ATOM 1057 C PHE A 485 -3.211 -51.275 -18.531 1.00 25.00 C ATOM 1058 O PHE A 485 -2.894 -51.770 -17.459 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.319 -49.922 -18.551 1.00 25.00 C ATOM 1060 CG PHE A 485 -5.947 -48.680 -17.968 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.323 -47.598 -18.789 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.156 -48.581 -16.579 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -6.898 -46.428 -18.234 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -6.735 -47.418 -16.012 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.104 -46.340 -16.845 1.00 25.00 C ATOM 0 H PHE A 485 -4.062 -49.184 -20.555 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.440 -49.307 -17.736 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.701 -50.072 -19.561 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.627 -50.786 -17.962 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.171 -47.662 -19.856 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -5.871 -49.402 -15.937 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.178 -45.606 -18.876 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -6.893 -47.357 -14.945 1.00 25.00 H new ATOM 0 HZ PHE A 485 -7.543 -45.451 -16.418 1.00 25.00 H new