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 168:sc= -0.524 (180deg=-0.643) USER MOD Single : A 433 MET CE :methyl -153:sc= -0.0208 (180deg=-1.13) USER MOD Single : A 434 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 436 GLN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc=-0.000951 K(o=-0.00095,f=-0.82) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 477 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc= -0.009 (180deg=-0.009) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -26.077 -42.295 -15.786 1.00 25.00 N ATOM 114 CA GLU A 419 -26.035 -40.898 -16.187 1.00 25.00 C ATOM 115 C GLU A 419 -27.025 -40.632 -17.321 1.00 25.00 C ATOM 116 O GLU A 419 -27.651 -39.592 -17.365 1.00 25.00 O ATOM 117 CB GLU A 419 -24.607 -40.533 -16.627 1.00 25.00 C ATOM 118 CG GLU A 419 -23.535 -40.731 -15.530 1.00 25.00 C ATOM 119 CD GLU A 419 -22.828 -42.094 -15.608 1.00 25.00 C ATOM 120 OE1 GLU A 419 -21.599 -42.120 -15.857 1.00 25.00 O ATOM 121 OE2 GLU A 419 -23.498 -43.147 -15.434 1.00 25.00 O ATOM 0 HA GLU A 419 -26.320 -40.277 -15.337 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -24.340 -41.138 -17.493 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -24.593 -39.492 -16.949 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -22.791 -39.939 -15.612 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -24.004 -40.628 -14.551 1.00 25.00 H new ATOM 128 N VAL A 420 -27.178 -41.590 -18.226 1.00 25.00 N ATOM 129 CA VAL A 420 -28.134 -41.469 -19.330 1.00 25.00 C ATOM 130 C VAL A 420 -29.571 -41.517 -18.802 1.00 25.00 C ATOM 131 O VAL A 420 -30.456 -40.862 -19.337 1.00 25.00 O ATOM 132 CB VAL A 420 -27.894 -42.595 -20.387 1.00 25.00 C ATOM 133 CG1 VAL A 420 -28.988 -42.614 -21.470 1.00 25.00 C ATOM 134 CG2 VAL A 420 -26.530 -42.387 -21.052 1.00 25.00 C ATOM 0 H VAL A 420 -26.652 -42.464 -18.221 1.00 25.00 H new ATOM 0 HA VAL A 420 -27.981 -40.506 -19.817 1.00 25.00 H new ATOM 0 HB VAL A 420 -27.924 -43.551 -19.864 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -28.780 -43.412 -22.183 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -29.958 -42.787 -21.004 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -29.001 -41.657 -21.991 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -26.361 -43.172 -21.789 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -26.510 -41.415 -21.545 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -25.747 -42.426 -20.295 1.00 25.00 H new ATOM 144 N SER A 421 -29.807 -42.272 -17.740 1.00 25.00 N ATOM 145 CA SER A 421 -31.147 -42.352 -17.166 1.00 25.00 C ATOM 146 C SER A 421 -31.544 -41.005 -16.567 1.00 25.00 C ATOM 147 O SER A 421 -32.686 -40.575 -16.690 1.00 25.00 O ATOM 148 CB SER A 421 -31.206 -43.429 -16.088 1.00 25.00 C ATOM 149 OG SER A 421 -30.847 -44.696 -16.621 1.00 25.00 O ATOM 0 H SER A 421 -29.101 -42.832 -17.262 1.00 25.00 H new ATOM 0 HA SER A 421 -31.845 -42.612 -17.962 1.00 25.00 H new ATOM 0 HB2 SER A 421 -30.533 -43.169 -15.271 1.00 25.00 H new ATOM 0 HB3 SER A 421 -32.212 -43.477 -15.670 1.00 25.00 H new ATOM 0 HG SER A 421 -30.889 -45.373 -15.913 1.00 25.00 H new ATOM 155 N ASP A 422 -30.591 -40.336 -15.933 1.00 25.00 N ATOM 156 CA ASP A 422 -30.844 -39.016 -15.352 1.00 25.00 C ATOM 157 C ASP A 422 -30.938 -37.982 -16.470 1.00 25.00 C ATOM 158 O ASP A 422 -31.696 -37.018 -16.390 1.00 25.00 O ATOM 159 CB ASP A 422 -29.714 -38.628 -14.391 1.00 25.00 C ATOM 160 CG ASP A 422 -29.669 -39.510 -13.150 1.00 25.00 C ATOM 161 OD1 ASP A 422 -28.556 -39.920 -12.755 1.00 25.00 O ATOM 162 OD2 ASP A 422 -30.740 -39.783 -12.565 1.00 25.00 O ATOM 0 H ASP A 422 -29.639 -40.679 -15.806 1.00 25.00 H new ATOM 0 HA ASP A 422 -31.781 -39.048 -14.796 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -28.760 -38.694 -14.913 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -29.841 -37.588 -14.089 1.00 25.00 H new ATOM 167 N MET A 423 -30.167 -38.197 -17.525 1.00 25.00 N ATOM 168 CA MET A 423 -30.149 -37.295 -18.678 1.00 25.00 C ATOM 169 C MET A 423 -31.499 -37.311 -19.385 1.00 25.00 C ATOM 170 O MET A 423 -31.936 -36.299 -19.898 1.00 25.00 O ATOM 171 CB MET A 423 -29.033 -37.710 -19.640 1.00 25.00 C ATOM 172 CG MET A 423 -28.826 -36.791 -20.833 1.00 25.00 C ATOM 173 SD MET A 423 -27.350 -37.288 -21.777 1.00 25.00 S ATOM 174 CE MET A 423 -27.883 -38.864 -22.494 1.00 25.00 C ATOM 0 H MET A 423 -29.538 -38.995 -17.611 1.00 25.00 H new ATOM 0 HA MET A 423 -29.958 -36.279 -18.333 1.00 25.00 H new ATOM 0 HB2 MET A 423 -28.099 -37.769 -19.082 1.00 25.00 H new ATOM 0 HB3 MET A 423 -29.248 -38.713 -20.008 1.00 25.00 H new ATOM 0 HG2 MET A 423 -29.704 -36.821 -21.478 1.00 25.00 H new ATOM 0 HG3 MET A 423 -28.716 -35.762 -20.491 1.00 25.00 H new ATOM 0 HE1 MET A 423 -27.171 -39.175 -23.259 1.00 25.00 H new ATOM 0 HE2 MET A 423 -27.930 -39.622 -21.712 1.00 25.00 H new ATOM 0 HE3 MET A 423 -28.869 -38.744 -22.943 1.00 25.00 H new ATOM 184 N ALA A 424 -32.172 -38.452 -19.388 1.00 25.00 N ATOM 185 CA ALA A 424 -33.489 -38.559 -20.016 1.00 25.00 C ATOM 186 C ALA A 424 -34.498 -37.615 -19.338 1.00 25.00 C ATOM 187 O ALA A 424 -35.423 -37.112 -19.975 1.00 25.00 O ATOM 188 CB ALA A 424 -33.979 -40.008 -19.948 1.00 25.00 C ATOM 0 H ALA A 424 -31.833 -39.316 -18.965 1.00 25.00 H new ATOM 0 HA ALA A 424 -33.403 -38.262 -21.061 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -34.960 -40.083 -20.417 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -33.276 -40.655 -20.473 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -34.050 -40.319 -18.906 1.00 25.00 H new ATOM 194 N ALA A 425 -34.315 -37.365 -18.048 1.00 25.00 N ATOM 195 CA ALA A 425 -35.192 -36.446 -17.330 1.00 25.00 C ATOM 196 C ALA A 425 -34.902 -35.010 -17.786 1.00 25.00 C ATOM 197 O ALA A 425 -35.809 -34.189 -17.898 1.00 25.00 O ATOM 198 CB ALA A 425 -34.986 -36.587 -15.815 1.00 25.00 C ATOM 0 H ALA A 425 -33.576 -37.780 -17.481 1.00 25.00 H new ATOM 0 HA ALA A 425 -36.232 -36.687 -17.552 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -35.647 -35.895 -15.292 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -35.215 -37.608 -15.510 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -33.950 -36.358 -15.566 1.00 25.00 H new ATOM 204 N VAL A 426 -33.636 -34.722 -18.057 1.00 25.00 N ATOM 205 CA VAL A 426 -33.228 -33.400 -18.536 1.00 25.00 C ATOM 206 C VAL A 426 -33.780 -33.181 -19.943 1.00 25.00 C ATOM 207 O VAL A 426 -34.292 -32.109 -20.251 1.00 25.00 O ATOM 208 CB VAL A 426 -31.672 -33.259 -18.556 1.00 25.00 C ATOM 209 CG1 VAL A 426 -31.257 -31.864 -19.028 1.00 25.00 C ATOM 210 CG2 VAL A 426 -31.093 -33.531 -17.157 1.00 25.00 C ATOM 0 H VAL A 426 -32.869 -35.386 -17.954 1.00 25.00 H new ATOM 0 HA VAL A 426 -33.627 -32.649 -17.855 1.00 25.00 H new ATOM 0 HB VAL A 426 -31.275 -33.994 -19.256 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -30.170 -31.790 -19.033 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -31.637 -31.692 -20.035 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -31.668 -31.114 -18.352 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -30.008 -33.429 -17.186 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -31.506 -32.815 -16.447 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -31.354 -34.542 -16.845 1.00 25.00 H new ATOM 220 N GLU A 427 -33.693 -34.208 -20.780 1.00 25.00 N ATOM 221 CA GLU A 427 -34.211 -34.153 -22.149 1.00 25.00 C ATOM 222 C GLU A 427 -35.708 -33.837 -22.121 1.00 25.00 C ATOM 223 O GLU A 427 -36.199 -33.008 -22.880 1.00 25.00 O ATOM 224 CB GLU A 427 -33.989 -35.504 -22.846 1.00 25.00 C ATOM 225 CG GLU A 427 -32.521 -35.824 -23.170 1.00 25.00 C ATOM 226 CD GLU A 427 -32.318 -37.279 -23.616 1.00 25.00 C ATOM 227 OE1 GLU A 427 -31.147 -37.720 -23.709 1.00 25.00 O ATOM 228 OE2 GLU A 427 -33.324 -37.986 -23.864 1.00 25.00 O ATOM 0 H GLU A 427 -33.264 -35.100 -20.534 1.00 25.00 H new ATOM 0 HA GLU A 427 -33.684 -33.373 -22.697 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -34.388 -36.295 -22.211 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -34.563 -35.519 -23.772 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -32.172 -35.155 -23.957 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -31.908 -35.629 -22.290 1.00 25.00 H new ATOM 235 N ALA A 428 -36.441 -34.490 -21.232 1.00 25.00 N ATOM 236 CA ALA A 428 -37.875 -34.245 -21.117 1.00 25.00 C ATOM 237 C ALA A 428 -38.154 -32.807 -20.652 1.00 25.00 C ATOM 238 O ALA A 428 -39.090 -32.156 -21.132 1.00 25.00 O ATOM 239 CB ALA A 428 -38.498 -35.253 -20.144 1.00 25.00 C ATOM 0 H ALA A 428 -36.074 -35.187 -20.585 1.00 25.00 H new ATOM 0 HA ALA A 428 -38.327 -34.371 -22.101 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -39.569 -35.066 -20.062 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -38.334 -36.265 -20.514 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -38.035 -35.146 -19.163 1.00 25.00 H new ATOM 245 N ALA A 429 -37.347 -32.324 -19.717 1.00 25.00 N ATOM 246 CA ALA A 429 -37.525 -30.985 -19.168 1.00 25.00 C ATOM 247 C ALA A 429 -37.256 -29.905 -20.218 1.00 25.00 C ATOM 248 O ALA A 429 -38.010 -28.940 -20.337 1.00 25.00 O ATOM 249 CB ALA A 429 -36.596 -30.792 -17.963 1.00 25.00 C ATOM 0 H ALA A 429 -36.561 -32.840 -19.322 1.00 25.00 H new ATOM 0 HA ALA A 429 -38.563 -30.885 -18.850 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -36.732 -29.790 -17.556 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -36.835 -31.530 -17.198 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -35.560 -30.918 -18.278 1.00 25.00 H new ATOM 255 N GLU A 430 -36.183 -30.047 -20.980 1.00 25.00 N ATOM 256 CA GLU A 430 -35.870 -29.036 -21.983 1.00 25.00 C ATOM 257 C GLU A 430 -36.891 -29.089 -23.112 1.00 25.00 C ATOM 258 O GLU A 430 -37.210 -28.062 -23.700 1.00 25.00 O ATOM 259 CB GLU A 430 -34.425 -29.152 -22.493 1.00 25.00 C ATOM 260 CG GLU A 430 -34.108 -30.394 -23.306 1.00 25.00 C ATOM 261 CD GLU A 430 -32.632 -30.481 -23.681 1.00 25.00 C ATOM 262 OE1 GLU A 430 -31.903 -29.476 -23.511 1.00 25.00 O ATOM 263 OE2 GLU A 430 -32.198 -31.560 -24.137 1.00 25.00 O ATOM 0 H GLU A 430 -35.529 -30.828 -20.929 1.00 25.00 H new ATOM 0 HA GLU A 430 -35.938 -28.055 -21.513 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -34.204 -28.276 -23.102 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -33.754 -29.121 -21.635 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -34.388 -31.280 -22.736 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -34.712 -30.395 -24.214 1.00 25.00 H new ATOM 270 N LEU A 431 -37.437 -30.263 -23.403 1.00 25.00 N ATOM 271 CA LEU A 431 -38.459 -30.375 -24.440 1.00 25.00 C ATOM 272 C LEU A 431 -39.716 -29.598 -24.066 1.00 25.00 C ATOM 273 O LEU A 431 -40.276 -28.893 -24.906 1.00 25.00 O ATOM 274 CB LEU A 431 -38.827 -31.841 -24.689 1.00 25.00 C ATOM 275 CG LEU A 431 -37.894 -32.611 -25.641 1.00 25.00 C ATOM 276 CD1 LEU A 431 -38.211 -34.105 -25.564 1.00 25.00 C ATOM 277 CD2 LEU A 431 -38.047 -32.126 -27.090 1.00 25.00 C ATOM 0 H LEU A 431 -37.195 -31.141 -22.944 1.00 25.00 H new ATOM 0 HA LEU A 431 -38.039 -29.949 -25.351 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -38.846 -32.360 -23.730 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -39.839 -31.879 -25.092 1.00 25.00 H new ATOM 0 HG LEU A 431 -36.865 -32.430 -25.331 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -37.551 -34.652 -26.238 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -38.060 -34.457 -24.543 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -39.248 -34.273 -25.856 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -37.374 -32.690 -27.736 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -39.076 -32.277 -27.417 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -37.800 -31.066 -27.147 1.00 25.00 H new ATOM 289 N GLU A 432 -40.178 -29.701 -22.827 1.00 25.00 N ATOM 290 CA GLU A 432 -41.385 -28.962 -22.445 1.00 25.00 C ATOM 291 C GLU A 432 -41.095 -27.462 -22.352 1.00 25.00 C ATOM 292 O GLU A 432 -41.967 -26.639 -22.659 1.00 25.00 O ATOM 293 CB GLU A 432 -42.031 -29.502 -21.157 1.00 25.00 C ATOM 294 CG GLU A 432 -41.265 -29.274 -19.865 1.00 25.00 C ATOM 295 CD GLU A 432 -42.101 -29.635 -18.648 1.00 25.00 C ATOM 296 OE1 GLU A 432 -42.266 -28.767 -17.763 1.00 25.00 O ATOM 297 OE2 GLU A 432 -42.609 -30.777 -18.579 1.00 25.00 O ATOM 0 H GLU A 432 -39.757 -30.266 -22.089 1.00 25.00 H new ATOM 0 HA GLU A 432 -42.120 -29.117 -23.235 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -43.016 -29.048 -21.054 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -42.185 -30.574 -21.277 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -40.354 -29.872 -19.871 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -40.961 -28.229 -19.801 1.00 25.00 H new ATOM 304 N MET A 433 -39.881 -27.092 -21.964 1.00 25.00 N ATOM 305 CA MET A 433 -39.509 -25.677 -21.924 1.00 25.00 C ATOM 306 C MET A 433 -39.450 -25.121 -23.340 1.00 25.00 C ATOM 307 O MET A 433 -39.885 -24.002 -23.578 1.00 25.00 O ATOM 308 CB MET A 433 -38.164 -25.468 -21.226 1.00 25.00 C ATOM 309 CG MET A 433 -38.267 -25.552 -19.712 1.00 25.00 C ATOM 310 SD MET A 433 -36.735 -25.066 -18.867 1.00 25.00 S ATOM 311 CE MET A 433 -35.662 -26.475 -19.185 1.00 25.00 C ATOM 0 H MET A 433 -39.145 -27.737 -21.676 1.00 25.00 H new ATOM 0 HA MET A 433 -40.268 -25.145 -21.351 1.00 25.00 H new ATOM 0 HB2 MET A 433 -37.456 -26.218 -21.580 1.00 25.00 H new ATOM 0 HB3 MET A 433 -37.763 -24.494 -21.505 1.00 25.00 H new ATOM 0 HG2 MET A 433 -39.081 -24.911 -19.373 1.00 25.00 H new ATOM 0 HG3 MET A 433 -38.524 -26.572 -19.427 1.00 25.00 H new ATOM 0 HE1 MET A 433 -34.924 -26.558 -18.387 1.00 25.00 H new ATOM 0 HE2 MET A 433 -36.259 -27.386 -19.223 1.00 25.00 H new ATOM 0 HE3 MET A 433 -35.152 -26.336 -20.138 1.00 25.00 H new ATOM 321 N THR A 434 -38.931 -25.902 -24.279 1.00 25.00 N ATOM 322 CA THR A 434 -38.857 -25.478 -25.680 1.00 25.00 C ATOM 323 C THR A 434 -40.258 -25.200 -26.218 1.00 25.00 C ATOM 324 O THR A 434 -40.476 -24.224 -26.927 1.00 25.00 O ATOM 325 CB THR A 434 -38.157 -26.545 -26.561 1.00 25.00 C ATOM 326 OG1 THR A 434 -36.848 -26.795 -26.047 1.00 25.00 O ATOM 327 CG2 THR A 434 -37.996 -26.064 -27.993 1.00 25.00 C ATOM 0 H THR A 434 -38.554 -26.833 -24.101 1.00 25.00 H new ATOM 0 HA THR A 434 -38.263 -24.565 -25.721 1.00 25.00 H new ATOM 0 HB THR A 434 -38.775 -27.443 -26.545 1.00 25.00 H new ATOM 0 HG1 THR A 434 -36.909 -27.392 -25.272 1.00 25.00 H new ATOM 0 HG21 THR A 434 -37.502 -26.836 -28.583 1.00 25.00 H new ATOM 0 HG22 THR A 434 -38.977 -25.854 -28.419 1.00 25.00 H new ATOM 0 HG23 THR A 434 -37.393 -25.156 -28.006 1.00 25.00 H new ATOM 335 N ARG A 435 -41.227 -26.033 -25.864 1.00 25.00 N ATOM 336 CA ARG A 435 -42.605 -25.803 -26.317 1.00 25.00 C ATOM 337 C ARG A 435 -43.091 -24.481 -25.776 1.00 25.00 C ATOM 338 O ARG A 435 -43.662 -23.668 -26.489 1.00 25.00 O ATOM 339 CB ARG A 435 -43.545 -26.895 -25.812 1.00 25.00 C ATOM 340 CG ARG A 435 -43.278 -28.233 -26.408 1.00 25.00 C ATOM 341 CD ARG A 435 -44.220 -29.269 -25.831 1.00 25.00 C ATOM 342 NE ARG A 435 -43.875 -30.624 -26.289 1.00 25.00 N ATOM 343 CZ ARG A 435 -44.511 -31.736 -25.935 1.00 25.00 C ATOM 344 NH1 ARG A 435 -45.545 -31.725 -25.128 1.00 25.00 N ATOM 345 NH2 ARG A 435 -44.093 -32.880 -26.398 1.00 25.00 N ATOM 0 H ARG A 435 -41.097 -26.858 -25.278 1.00 25.00 H new ATOM 0 HA ARG A 435 -42.606 -25.808 -27.407 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -43.458 -26.965 -24.728 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -44.573 -26.608 -26.031 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -43.399 -28.186 -27.490 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -42.246 -28.524 -26.215 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -44.182 -29.231 -24.742 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -45.244 -29.035 -26.123 1.00 25.00 H new ATOM 0 HE ARG A 435 -43.086 -30.717 -26.928 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -45.887 -30.842 -24.749 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -46.007 -32.600 -24.879 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -43.288 -32.914 -27.023 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -44.571 -33.742 -26.135 1.00 25.00 H new ATOM 359 N GLN A 436 -42.864 -24.285 -24.493 1.00 25.00 N ATOM 360 CA GLN A 436 -43.319 -23.074 -23.820 1.00 25.00 C ATOM 361 C GLN A 436 -42.721 -21.799 -24.413 1.00 25.00 C ATOM 362 O GLN A 436 -43.437 -20.821 -24.613 1.00 25.00 O ATOM 363 CB GLN A 436 -43.044 -23.156 -22.337 1.00 25.00 C ATOM 364 CG GLN A 436 -44.174 -23.867 -21.636 1.00 25.00 C ATOM 365 CD GLN A 436 -43.800 -24.290 -20.267 1.00 25.00 C ATOM 366 OE1 GLN A 436 -44.188 -23.685 -19.283 1.00 25.00 O ATOM 367 NE2 GLN A 436 -43.034 -25.327 -20.188 1.00 25.00 N ATOM 0 H GLN A 436 -42.369 -24.944 -23.892 1.00 25.00 H new ATOM 0 HA GLN A 436 -44.395 -23.013 -23.981 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -42.107 -23.686 -22.162 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -42.925 -22.154 -21.926 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -45.042 -23.209 -21.588 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -44.469 -24.741 -22.217 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -42.732 -25.804 -21.038 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -42.731 -25.669 -19.276 1.00 25.00 H new ATOM 376 N VAL A 437 -41.426 -21.795 -24.705 1.00 25.00 N ATOM 377 CA VAL A 437 -40.794 -20.593 -25.259 1.00 25.00 C ATOM 378 C VAL A 437 -41.225 -20.323 -26.695 1.00 25.00 C ATOM 379 O VAL A 437 -41.408 -19.177 -27.075 1.00 25.00 O ATOM 380 CB VAL A 437 -39.234 -20.630 -25.170 1.00 25.00 C ATOM 381 CG1 VAL A 437 -38.792 -20.654 -23.694 1.00 25.00 C ATOM 382 CG2 VAL A 437 -38.626 -21.809 -25.898 1.00 25.00 C ATOM 0 H VAL A 437 -40.800 -22.589 -24.573 1.00 25.00 H new ATOM 0 HA VAL A 437 -41.144 -19.772 -24.633 1.00 25.00 H new ATOM 0 HB VAL A 437 -38.872 -19.727 -25.662 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -37.704 -20.680 -23.640 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -39.159 -19.760 -23.190 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -39.200 -21.539 -23.206 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -37.541 -21.778 -25.799 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -39.003 -22.736 -25.467 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -38.895 -21.763 -26.953 1.00 25.00 H new ATOM 392 N LEU A 438 -41.402 -21.367 -27.489 1.00 25.00 N ATOM 393 CA LEU A 438 -41.851 -21.193 -28.871 1.00 25.00 C ATOM 394 C LEU A 438 -43.264 -20.626 -28.910 1.00 25.00 C ATOM 395 O LEU A 438 -43.551 -19.735 -29.699 1.00 25.00 O ATOM 396 CB LEU A 438 -41.807 -22.522 -29.636 1.00 25.00 C ATOM 397 CG LEU A 438 -40.406 -23.034 -30.014 1.00 25.00 C ATOM 398 CD1 LEU A 438 -40.528 -24.430 -30.619 1.00 25.00 C ATOM 399 CD2 LEU A 438 -39.706 -22.100 -31.004 1.00 25.00 C ATOM 0 H LEU A 438 -41.245 -22.335 -27.210 1.00 25.00 H new ATOM 0 HA LEU A 438 -41.172 -20.490 -29.353 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -42.300 -23.283 -29.032 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -42.391 -22.413 -30.550 1.00 25.00 H new ATOM 0 HG LEU A 438 -39.801 -23.066 -29.108 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -39.538 -24.797 -30.889 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -40.979 -25.104 -29.891 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -41.154 -24.387 -31.510 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -38.720 -22.498 -31.245 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -40.299 -22.025 -31.915 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -39.599 -21.111 -30.558 1.00 25.00 H new ATOM 720 N ALA A 462 -18.455 -31.991 -44.328 1.00 25.00 N ATOM 721 CA ALA A 462 -17.344 -32.379 -43.474 1.00 25.00 C ATOM 722 C ALA A 462 -17.848 -33.144 -42.241 1.00 25.00 C ATOM 723 O ALA A 462 -17.268 -34.158 -41.863 1.00 25.00 O ATOM 724 CB ALA A 462 -16.558 -31.136 -43.046 1.00 25.00 C ATOM 0 HA ALA A 462 -16.685 -33.040 -44.037 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.727 -31.433 -42.406 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.172 -30.628 -43.929 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.215 -30.461 -42.497 1.00 25.00 H new ATOM 730 N LEU A 463 -18.921 -32.670 -41.617 1.00 25.00 N ATOM 731 CA LEU A 463 -19.450 -33.329 -40.422 1.00 25.00 C ATOM 732 C LEU A 463 -19.975 -34.723 -40.750 1.00 25.00 C ATOM 733 O LEU A 463 -19.835 -35.628 -39.948 1.00 25.00 O ATOM 734 CB LEU A 463 -20.506 -32.454 -39.721 1.00 25.00 C ATOM 735 CG LEU A 463 -22.014 -32.675 -39.953 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.604 -33.816 -39.118 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.739 -31.396 -39.590 1.00 25.00 C ATOM 0 H LEU A 463 -19.438 -31.842 -41.912 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.630 -33.457 -39.715 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.333 -32.546 -38.649 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.291 -31.420 -39.991 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.142 -32.947 -41.001 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.668 -33.912 -39.334 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.097 -34.749 -39.367 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.467 -33.600 -38.058 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.810 -31.528 -39.746 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.552 -31.156 -38.543 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.378 -30.582 -40.219 1.00 25.00 H new ATOM 749 N GLN A 464 -20.554 -34.912 -41.929 1.00 25.00 N ATOM 750 CA GLN A 464 -21.001 -36.243 -42.349 1.00 25.00 C ATOM 751 C GLN A 464 -19.842 -37.236 -42.300 1.00 25.00 C ATOM 752 O GLN A 464 -20.005 -38.391 -41.908 1.00 25.00 O ATOM 753 CB GLN A 464 -21.579 -36.189 -43.758 1.00 25.00 C ATOM 754 CG GLN A 464 -22.947 -35.536 -43.819 1.00 25.00 C ATOM 755 CD GLN A 464 -23.453 -35.433 -45.229 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.210 -34.461 -45.934 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.150 -36.442 -45.653 1.00 25.00 N ATOM 0 H GLN A 464 -20.726 -34.171 -42.609 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.778 -36.576 -41.661 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.893 -35.641 -44.404 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.649 -37.202 -44.154 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.652 -36.113 -43.221 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.895 -34.541 -43.378 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.331 -37.233 -45.035 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.517 -36.444 -46.605 1.00 25.00 H new ATOM 766 N GLY A 465 -18.665 -36.767 -42.679 1.00 25.00 N ATOM 767 CA GLY A 465 -17.477 -37.594 -42.620 1.00 25.00 C ATOM 768 C GLY A 465 -17.055 -37.763 -41.179 1.00 25.00 C ATOM 769 O GLY A 465 -16.747 -38.865 -40.755 1.00 25.00 O ATOM 0 H GLY A 465 -18.509 -35.822 -43.029 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.675 -38.567 -43.069 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.672 -37.136 -43.195 1.00 25.00 H new ATOM 773 N ALA A 466 -17.064 -36.672 -40.422 1.00 25.00 N ATOM 774 CA ALA A 466 -16.680 -36.693 -39.010 1.00 25.00 C ATOM 775 C ALA A 466 -17.480 -37.734 -38.220 1.00 25.00 C ATOM 776 O ALA A 466 -16.937 -38.415 -37.369 1.00 25.00 O ATOM 777 CB ALA A 466 -16.866 -35.304 -38.390 1.00 25.00 C ATOM 0 H ALA A 466 -17.336 -35.751 -40.765 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.628 -36.973 -38.958 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.577 -35.333 -37.339 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.242 -34.583 -38.918 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.912 -35.007 -38.471 1.00 25.00 H new ATOM 783 N GLN A 467 -18.761 -37.861 -38.512 1.00 25.00 N ATOM 784 CA GLN A 467 -19.608 -38.842 -37.835 1.00 25.00 C ATOM 785 C GLN A 467 -19.185 -40.273 -38.165 1.00 25.00 C ATOM 786 O GLN A 467 -19.114 -41.130 -37.288 1.00 25.00 O ATOM 787 CB GLN A 467 -21.050 -38.655 -38.285 1.00 25.00 C ATOM 788 CG GLN A 467 -21.693 -37.343 -37.826 1.00 25.00 C ATOM 789 CD GLN A 467 -21.954 -37.283 -36.334 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.977 -38.290 -35.648 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.151 -36.093 -35.830 1.00 25.00 N ATOM 0 H GLN A 467 -19.244 -37.299 -39.213 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.507 -38.685 -36.761 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.087 -38.702 -39.373 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.645 -39.487 -37.910 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.044 -36.513 -38.106 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.635 -37.205 -38.357 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.124 -35.272 -36.435 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.331 -35.985 -34.832 1.00 25.00 H new ATOM 800 N ALA A 468 -18.913 -40.533 -39.436 1.00 25.00 N ATOM 801 CA ALA A 468 -18.535 -41.873 -39.867 1.00 25.00 C ATOM 802 C ALA A 468 -17.185 -42.266 -39.262 1.00 25.00 C ATOM 803 O ALA A 468 -17.009 -43.381 -38.765 1.00 25.00 O ATOM 804 CB ALA A 468 -18.475 -41.931 -41.400 1.00 25.00 C ATOM 0 H ALA A 468 -18.946 -39.839 -40.183 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.286 -42.582 -39.518 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.192 -42.935 -41.715 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.453 -41.684 -41.812 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.737 -41.215 -41.763 1.00 25.00 H new ATOM 810 N VAL A 469 -16.233 -41.346 -39.292 1.00 25.00 N ATOM 811 CA VAL A 469 -14.904 -41.624 -38.757 1.00 25.00 C ATOM 812 C VAL A 469 -14.935 -41.696 -37.236 1.00 25.00 C ATOM 813 O VAL A 469 -14.117 -42.378 -36.647 1.00 25.00 O ATOM 814 CB VAL A 469 -13.827 -40.600 -39.239 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.820 -40.522 -40.771 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.064 -39.224 -38.661 1.00 25.00 C ATOM 0 H VAL A 469 -16.351 -40.409 -39.677 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.610 -42.597 -39.151 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.858 -40.952 -38.885 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -13.066 -39.805 -41.095 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.589 -41.504 -41.184 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.800 -40.201 -41.123 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.294 -38.541 -39.020 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.044 -38.862 -38.973 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.025 -39.275 -37.573 1.00 25.00 H new ATOM 826 N ALA A 470 -15.874 -41.008 -36.599 1.00 25.00 N ATOM 827 CA ALA A 470 -15.970 -41.004 -35.133 1.00 25.00 C ATOM 828 C ALA A 470 -16.123 -42.418 -34.574 1.00 25.00 C ATOM 829 O ALA A 470 -15.622 -42.709 -33.490 1.00 25.00 O ATOM 830 CB ALA A 470 -17.137 -40.125 -34.665 1.00 25.00 C ATOM 0 H ALA A 470 -16.582 -40.444 -37.068 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.038 -40.588 -34.750 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.188 -40.138 -33.576 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.983 -39.102 -35.009 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.070 -40.510 -35.077 1.00 25.00 H new ATOM 836 N ALA A 471 -16.792 -43.295 -35.308 1.00 25.00 N ATOM 837 CA ALA A 471 -16.939 -44.680 -34.870 1.00 25.00 C ATOM 838 C ALA A 471 -15.559 -45.352 -34.805 1.00 25.00 C ATOM 839 O ALA A 471 -15.277 -46.116 -33.891 1.00 25.00 O ATOM 840 CB ALA A 471 -17.868 -45.438 -35.825 1.00 25.00 C ATOM 0 H ALA A 471 -17.238 -43.079 -36.200 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.383 -44.699 -33.875 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.971 -46.470 -35.490 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.848 -44.960 -35.835 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.447 -45.424 -36.830 1.00 25.00 H new ATOM 846 N ALA A 472 -14.702 -45.050 -35.770 1.00 25.00 N ATOM 847 CA ALA A 472 -13.343 -45.583 -35.786 1.00 25.00 C ATOM 848 C ALA A 472 -12.487 -44.910 -34.706 1.00 25.00 C ATOM 849 O ALA A 472 -11.609 -45.534 -34.126 1.00 25.00 O ATOM 850 CB ALA A 472 -12.713 -45.386 -37.172 1.00 25.00 C ATOM 0 H ALA A 472 -14.923 -44.437 -36.555 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.386 -46.651 -35.571 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.700 -45.787 -37.171 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.310 -45.908 -37.920 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.682 -44.323 -37.410 1.00 25.00 H new ATOM 856 N GLN A 473 -12.741 -43.638 -34.435 1.00 25.00 N ATOM 857 CA GLN A 473 -11.964 -42.911 -33.434 1.00 25.00 C ATOM 858 C GLN A 473 -12.269 -43.395 -32.030 1.00 25.00 C ATOM 859 O GLN A 473 -11.367 -43.630 -31.235 1.00 25.00 O ATOM 860 CB GLN A 473 -12.252 -41.406 -33.487 1.00 25.00 C ATOM 861 CG GLN A 473 -11.915 -40.720 -34.805 1.00 25.00 C ATOM 862 CD GLN A 473 -10.429 -40.590 -35.068 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.604 -40.804 -34.199 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.091 -40.236 -36.279 1.00 25.00 N ATOM 0 H GLN A 473 -13.472 -43.089 -34.888 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.916 -43.098 -33.669 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.310 -41.248 -33.275 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.691 -40.918 -32.690 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.371 -41.280 -35.622 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.363 -39.726 -34.811 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.812 -40.065 -36.980 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.106 -40.130 -36.523 1.00 25.00 H new ATOM 873 N ARG A 474 -13.543 -43.561 -31.710 1.00 25.00 N ATOM 874 CA ARG A 474 -13.909 -44.056 -30.379 1.00 25.00 C ATOM 875 C ARG A 474 -13.387 -45.475 -30.210 1.00 25.00 C ATOM 876 O ARG A 474 -13.101 -45.915 -29.104 1.00 25.00 O ATOM 877 CB ARG A 474 -15.424 -43.984 -30.135 1.00 25.00 C ATOM 878 CG ARG A 474 -16.284 -44.925 -30.965 1.00 25.00 C ATOM 879 CD ARG A 474 -17.768 -44.666 -30.728 1.00 25.00 C ATOM 880 NE ARG A 474 -18.154 -44.886 -29.319 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.371 -44.702 -28.815 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.381 -44.308 -29.552 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.577 -44.911 -27.541 1.00 25.00 N ATOM 0 H ARG A 474 -14.328 -43.368 -32.332 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.447 -43.412 -29.630 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.611 -44.189 -29.081 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.753 -42.962 -30.324 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.054 -44.796 -32.022 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.047 -45.958 -30.711 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.006 -43.641 -31.013 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.357 -45.320 -31.371 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.427 -45.206 -28.679 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.248 -44.132 -30.548 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.300 -44.178 -29.130 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.808 -45.212 -26.943 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.507 -44.773 -27.145 1.00 25.00 H new ATOM 897 N LEU A 475 -13.250 -46.175 -31.324 1.00 25.00 N ATOM 898 CA LEU A 475 -12.704 -47.522 -31.337 1.00 25.00 C ATOM 899 C LEU A 475 -11.197 -47.495 -31.057 1.00 25.00 C ATOM 900 O LEU A 475 -10.732 -48.206 -30.177 1.00 25.00 O ATOM 901 CB LEU A 475 -13.002 -48.179 -32.696 1.00 25.00 C ATOM 902 CG LEU A 475 -11.962 -49.140 -33.293 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.844 -50.419 -32.451 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.339 -49.500 -34.717 1.00 25.00 C ATOM 0 H LEU A 475 -13.514 -45.825 -32.245 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.175 -48.111 -30.550 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.941 -48.725 -32.601 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.169 -47.381 -33.420 1.00 25.00 H new ATOM 0 HG LEU A 475 -10.997 -48.634 -33.290 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.101 -51.081 -32.897 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.538 -50.160 -31.437 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.809 -50.925 -32.421 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.595 -50.181 -35.129 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.316 -49.983 -34.724 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.378 -48.595 -35.323 1.00 25.00 H new ATOM 916 N VAL A 476 -10.428 -46.699 -31.790 1.00 25.00 N ATOM 917 CA VAL A 476 -8.974 -46.697 -31.605 1.00 25.00 C ATOM 918 C VAL A 476 -8.647 -46.210 -30.201 1.00 25.00 C ATOM 919 O VAL A 476 -7.732 -46.714 -29.544 1.00 25.00 O ATOM 920 CB VAL A 476 -8.228 -45.883 -32.715 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.582 -44.414 -32.699 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.714 -46.058 -32.587 1.00 25.00 C ATOM 0 H VAL A 476 -10.773 -46.058 -32.504 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.608 -47.718 -31.712 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.561 -46.285 -33.672 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.036 -43.899 -33.489 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.653 -44.296 -32.862 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.313 -43.985 -31.734 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.214 -45.484 -33.368 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.388 -45.702 -31.610 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.459 -47.113 -32.692 1.00 25.00 H new ATOM 932 N HIS A 477 -9.421 -45.251 -29.725 1.00 25.00 N ATOM 933 CA HIS A 477 -9.248 -44.732 -28.393 1.00 25.00 C ATOM 934 C HIS A 477 -9.524 -45.823 -27.369 1.00 25.00 C ATOM 935 O HIS A 477 -8.860 -45.884 -26.353 1.00 25.00 O ATOM 936 CB HIS A 477 -10.182 -43.547 -28.175 1.00 25.00 C ATOM 937 CG HIS A 477 -9.850 -42.748 -26.954 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.691 -41.844 -26.357 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.714 -42.719 -26.207 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.062 -41.326 -25.303 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.853 -41.828 -25.163 1.00 25.00 N ATOM 0 H HIS A 477 -10.180 -44.817 -30.251 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.219 -44.394 -28.270 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.142 -42.896 -29.048 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.206 -43.911 -28.095 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.830 -43.308 -26.403 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.491 -40.585 -24.644 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.168 -41.606 -24.440 1.00 25.00 H new ATOM 949 N ALA A 478 -10.486 -46.699 -27.635 1.00 25.00 N ATOM 950 CA ALA A 478 -10.805 -47.759 -26.688 1.00 25.00 C ATOM 951 C ALA A 478 -9.573 -48.625 -26.430 1.00 25.00 C ATOM 952 O ALA A 478 -9.272 -48.949 -25.290 1.00 25.00 O ATOM 953 CB ALA A 478 -11.965 -48.615 -27.204 1.00 25.00 C ATOM 0 H ALA A 478 -11.050 -46.697 -28.485 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.113 -47.301 -25.748 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.187 -49.401 -26.482 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.846 -47.989 -27.341 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.689 -49.066 -28.157 1.00 25.00 H new ATOM 959 N ILE A 479 -8.852 -48.988 -27.482 1.00 25.00 N ATOM 960 CA ILE A 479 -7.668 -49.833 -27.317 1.00 25.00 C ATOM 961 C ILE A 479 -6.562 -49.039 -26.648 1.00 25.00 C ATOM 962 O ILE A 479 -5.821 -49.573 -25.841 1.00 25.00 O ATOM 963 CB ILE A 479 -7.132 -50.378 -28.659 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.248 -51.074 -29.444 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.981 -51.386 -28.427 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.422 -50.476 -30.782 1.00 25.00 C ATOM 0 H ILE A 479 -9.057 -48.719 -28.444 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.971 -50.681 -26.704 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.758 -49.529 -29.230 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.016 -52.134 -29.546 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.183 -51.004 -28.889 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.621 -51.755 -29.388 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.165 -50.892 -27.900 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.345 -52.222 -27.830 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.222 -50.994 -31.311 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.679 -49.422 -30.679 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.494 -50.570 -31.346 1.00 25.00 H new ATOM 978 N ALA A 480 -6.465 -47.755 -26.964 1.00 25.00 N ATOM 979 CA ALA A 480 -5.444 -46.896 -26.372 1.00 25.00 C ATOM 980 C ALA A 480 -5.604 -46.877 -24.843 1.00 25.00 C ATOM 981 O ALA A 480 -4.645 -46.669 -24.095 1.00 25.00 O ATOM 982 CB ALA A 480 -5.553 -45.476 -26.960 1.00 25.00 C ATOM 0 H ALA A 480 -7.080 -47.283 -27.627 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.454 -47.287 -26.607 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.789 -44.838 -26.515 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.408 -45.517 -28.040 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.539 -45.067 -26.742 1.00 25.00 H new ATOM 988 N LEU A 481 -6.823 -47.105 -24.379 1.00 25.00 N ATOM 989 CA LEU A 481 -7.087 -47.166 -22.941 1.00 25.00 C ATOM 990 C LEU A 481 -6.701 -48.522 -22.410 1.00 25.00 C ATOM 991 O LEU A 481 -6.109 -48.636 -21.354 1.00 25.00 O ATOM 992 CB LEU A 481 -8.549 -46.893 -22.642 1.00 25.00 C ATOM 993 CG LEU A 481 -8.924 -45.504 -23.133 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.418 -45.457 -23.382 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.505 -44.410 -22.161 1.00 25.00 C ATOM 0 H LEU A 481 -7.643 -47.250 -24.968 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.490 -46.397 -22.450 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.175 -47.642 -23.128 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.731 -46.971 -21.570 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.384 -45.313 -24.061 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.697 -44.464 -23.735 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.685 -46.198 -24.136 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.948 -45.675 -22.455 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.796 -43.438 -22.559 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.995 -44.570 -21.200 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.424 -44.438 -22.026 1.00 25.00 H new ATOM 1007 N MET A 482 -7.027 -49.561 -23.154 1.00 25.00 N ATOM 1008 CA MET A 482 -6.686 -50.919 -22.738 1.00 25.00 C ATOM 1009 C MET A 482 -5.196 -51.090 -22.618 1.00 25.00 C ATOM 1010 O MET A 482 -4.718 -51.884 -21.815 1.00 25.00 O ATOM 1011 CB MET A 482 -7.210 -51.944 -23.738 1.00 25.00 C ATOM 1012 CG MET A 482 -8.675 -51.849 -23.865 1.00 25.00 C ATOM 1013 SD MET A 482 -9.465 -53.355 -24.461 1.00 25.00 S ATOM 1014 CE MET A 482 -9.208 -53.194 -26.228 1.00 25.00 C ATOM 0 H MET A 482 -7.523 -49.499 -24.043 1.00 25.00 H new ATOM 0 HA MET A 482 -7.152 -51.081 -21.766 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.745 -51.781 -24.710 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.933 -52.948 -23.416 1.00 25.00 H new ATOM 0 HG2 MET A 482 -9.097 -51.591 -22.893 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.917 -51.032 -24.545 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.643 -54.053 -26.739 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.686 -52.281 -26.583 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.139 -53.150 -26.438 1.00 25.00 H new ATOM 1024 N THR A 483 -4.450 -50.353 -23.419 1.00 25.00 N ATOM 1025 CA THR A 483 -3.004 -50.534 -23.419 1.00 25.00 C ATOM 1026 C THR A 483 -2.393 -49.893 -22.184 1.00 25.00 C ATOM 1027 O THR A 483 -1.425 -50.407 -21.634 1.00 25.00 O ATOM 1028 CB THR A 483 -2.377 -50.002 -24.714 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.828 -48.671 -24.961 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.806 -50.873 -25.891 1.00 25.00 C ATOM 0 H THR A 483 -4.803 -49.643 -24.061 1.00 25.00 H new ATOM 0 HA THR A 483 -2.787 -51.602 -23.381 1.00 25.00 H new ATOM 0 HB THR A 483 -1.293 -50.018 -24.606 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.423 -48.337 -25.788 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.358 -50.491 -26.808 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.475 -51.898 -25.725 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.892 -50.853 -25.982 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.966 -48.789 -21.725 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.470 -48.151 -20.508 1.00 25.00 C ATOM 1040 C GLN A 484 -3.059 -48.795 -19.248 1.00 25.00 C ATOM 1041 O GLN A 484 -2.402 -48.829 -18.215 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.709 -46.631 -20.534 1.00 25.00 C ATOM 1043 CG GLN A 484 -4.158 -46.202 -20.627 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.304 -44.716 -20.839 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.225 -43.937 -19.907 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.512 -44.320 -22.067 1.00 25.00 N ATOM 0 H GLN A 484 -3.759 -48.322 -22.165 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.392 -48.311 -20.474 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.277 -46.197 -19.632 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.168 -46.210 -21.381 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.639 -46.733 -21.448 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.679 -46.489 -19.713 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.572 -45.005 -22.820 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.614 -43.326 -22.272 1.00 25.00 H new ATOM 1055 N PHE A 485 -4.277 -49.324 -19.318 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.887 -49.966 -18.175 1.00 25.00 C ATOM 1057 C PHE A 485 -4.335 -51.367 -17.951 1.00 25.00 C ATOM 1058 O PHE A 485 -4.377 -51.877 -16.835 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.395 -50.043 -18.388 1.00 25.00 C ATOM 1060 CG PHE A 485 -7.121 -48.745 -18.112 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -8.067 -48.248 -19.028 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.874 -48.018 -16.928 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.753 -47.032 -18.775 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.552 -46.799 -16.670 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.489 -46.306 -17.599 1.00 25.00 C ATOM 0 H PHE A 485 -4.855 -49.317 -20.158 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.656 -49.371 -17.291 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.592 -50.346 -19.416 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.804 -50.821 -17.743 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -8.273 -48.799 -19.934 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.160 -48.394 -16.210 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -9.478 -46.664 -19.485 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.350 -46.250 -15.762 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.002 -45.375 -17.409 1.00 25.00 H new