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 174:sc= 0 (180deg=-0.0297) USER MOD Single : A 433 MET CE :methyl -158:sc=-0.00332 (180deg=-0.546) USER MOD Single : A 434 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 436 GLN : amide:sc= -0.369 K(o=-0.37,f=-1.6) USER MOD Single : A 464 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 477 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.0019) USER MOD Single : A 482 MET CE :methyl 179:sc=-0.00159 (180deg=-0.00222) USER MOD Single : A 483 THR OG1 : rot 180:sc=0.000782 USER MOD Single : A 484 GLN : amide:sc= 0.499 X(o=0.5,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -32.200 26.096 -57.863 1.00 25.00 N ATOM 114 CA GLU A 419 -32.693 24.764 -57.507 1.00 25.00 C ATOM 115 C GLU A 419 -33.703 24.242 -58.525 1.00 25.00 C ATOM 116 O GLU A 419 -33.845 23.050 -58.679 1.00 25.00 O ATOM 117 CB GLU A 419 -33.318 24.797 -56.108 1.00 25.00 C ATOM 118 CG GLU A 419 -32.306 25.085 -54.991 1.00 25.00 C ATOM 119 CD GLU A 419 -32.968 25.544 -53.694 1.00 25.00 C ATOM 120 OE1 GLU A 419 -33.843 24.834 -53.157 1.00 25.00 O ATOM 121 OE2 GLU A 419 -32.607 26.650 -53.216 1.00 25.00 O ATOM 0 HA GLU A 419 -31.843 24.081 -57.510 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -34.098 25.558 -56.085 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -33.801 23.840 -55.912 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -31.722 24.186 -54.796 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -31.609 25.852 -55.328 1.00 25.00 H new ATOM 128 N VAL A 420 -34.380 25.129 -59.244 1.00 25.00 N ATOM 129 CA VAL A 420 -35.298 24.717 -60.317 1.00 25.00 C ATOM 130 C VAL A 420 -34.560 23.872 -61.370 1.00 25.00 C ATOM 131 O VAL A 420 -35.133 22.951 -61.957 1.00 25.00 O ATOM 132 CB VAL A 420 -35.983 25.975 -60.960 1.00 25.00 C ATOM 133 CG1 VAL A 420 -36.425 25.729 -62.417 1.00 25.00 C ATOM 134 CG2 VAL A 420 -37.203 26.373 -60.132 1.00 25.00 C ATOM 0 H VAL A 420 -34.316 26.138 -59.110 1.00 25.00 H new ATOM 0 HA VAL A 420 -36.082 24.092 -59.889 1.00 25.00 H new ATOM 0 HB VAL A 420 -35.242 26.774 -60.968 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -36.892 26.631 -62.813 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -35.555 25.475 -63.023 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -37.140 24.907 -62.446 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -37.677 27.246 -60.580 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -37.913 25.546 -60.109 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -36.891 26.611 -59.115 1.00 25.00 H new ATOM 144 N SER A 421 -33.287 24.160 -61.603 1.00 25.00 N ATOM 145 CA SER A 421 -32.514 23.399 -62.584 1.00 25.00 C ATOM 146 C SER A 421 -32.249 21.987 -62.072 1.00 25.00 C ATOM 147 O SER A 421 -32.301 21.015 -62.826 1.00 25.00 O ATOM 148 CB SER A 421 -31.180 24.089 -62.852 1.00 25.00 C ATOM 149 OG SER A 421 -31.382 25.446 -63.222 1.00 25.00 O ATOM 0 H SER A 421 -32.770 24.904 -61.135 1.00 25.00 H new ATOM 0 HA SER A 421 -33.091 23.347 -63.507 1.00 25.00 H new ATOM 0 HB2 SER A 421 -30.554 24.039 -61.961 1.00 25.00 H new ATOM 0 HB3 SER A 421 -30.647 23.566 -63.646 1.00 25.00 H new ATOM 0 HG SER A 421 -30.515 25.872 -63.388 1.00 25.00 H new ATOM 155 N ASP A 422 -31.978 21.885 -60.781 1.00 25.00 N ATOM 156 CA ASP A 422 -31.684 20.602 -60.145 1.00 25.00 C ATOM 157 C ASP A 422 -32.971 19.815 -59.980 1.00 25.00 C ATOM 158 O ASP A 422 -32.984 18.587 -60.032 1.00 25.00 O ATOM 159 CB ASP A 422 -31.036 20.844 -58.780 1.00 25.00 C ATOM 160 CG ASP A 422 -29.760 21.663 -58.881 1.00 25.00 C ATOM 161 OD1 ASP A 422 -28.854 21.281 -59.653 1.00 25.00 O ATOM 162 OD2 ASP A 422 -29.670 22.704 -58.193 1.00 25.00 O ATOM 0 H ASP A 422 -31.954 22.681 -60.144 1.00 25.00 H new ATOM 0 HA ASP A 422 -30.995 20.032 -60.768 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -31.744 21.359 -58.131 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -30.813 19.885 -58.312 1.00 25.00 H new ATOM 167 N MET A 423 -34.063 20.542 -59.800 1.00 25.00 N ATOM 168 CA MET A 423 -35.384 19.945 -59.672 1.00 25.00 C ATOM 169 C MET A 423 -35.727 19.229 -60.954 1.00 25.00 C ATOM 170 O MET A 423 -36.214 18.114 -60.933 1.00 25.00 O ATOM 171 CB MET A 423 -36.433 21.016 -59.403 1.00 25.00 C ATOM 172 CG MET A 423 -36.777 21.152 -57.946 1.00 25.00 C ATOM 173 SD MET A 423 -37.249 22.846 -57.481 1.00 25.00 S ATOM 174 CE MET A 423 -38.635 23.160 -58.567 1.00 25.00 C ATOM 0 H MET A 423 -34.059 21.560 -59.739 1.00 25.00 H new ATOM 0 HA MET A 423 -35.375 19.245 -58.837 1.00 25.00 H new ATOM 0 HB2 MET A 423 -36.069 21.974 -59.775 1.00 25.00 H new ATOM 0 HB3 MET A 423 -37.338 20.779 -59.963 1.00 25.00 H new ATOM 0 HG2 MET A 423 -37.596 20.474 -57.707 1.00 25.00 H new ATOM 0 HG3 MET A 423 -35.922 20.842 -57.346 1.00 25.00 H new ATOM 0 HE1 MET A 423 -39.086 24.120 -58.314 1.00 25.00 H new ATOM 0 HE2 MET A 423 -38.290 23.183 -59.601 1.00 25.00 H new ATOM 0 HE3 MET A 423 -39.376 22.369 -58.450 1.00 25.00 H new ATOM 184 N ALA A 424 -35.458 19.868 -62.078 1.00 25.00 N ATOM 185 CA ALA A 424 -35.779 19.267 -63.358 1.00 25.00 C ATOM 186 C ALA A 424 -34.958 17.984 -63.567 1.00 25.00 C ATOM 187 O ALA A 424 -35.424 17.024 -64.183 1.00 25.00 O ATOM 188 CB ALA A 424 -35.516 20.269 -64.487 1.00 25.00 C ATOM 0 H ALA A 424 -35.024 20.790 -62.131 1.00 25.00 H new ATOM 0 HA ALA A 424 -36.836 19.000 -63.369 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -35.760 19.810 -65.445 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -36.136 21.153 -64.340 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -34.465 20.558 -64.480 1.00 25.00 H new ATOM 194 N ALA A 425 -33.739 17.973 -63.045 1.00 25.00 N ATOM 195 CA ALA A 425 -32.871 16.808 -63.168 1.00 25.00 C ATOM 196 C ALA A 425 -33.374 15.639 -62.310 1.00 25.00 C ATOM 197 O ALA A 425 -33.411 14.500 -62.769 1.00 25.00 O ATOM 198 CB ALA A 425 -31.437 17.184 -62.766 1.00 25.00 C ATOM 0 H ALA A 425 -33.329 18.755 -62.534 1.00 25.00 H new ATOM 0 HA ALA A 425 -32.883 16.484 -64.209 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -30.792 16.310 -62.859 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -31.072 17.976 -63.420 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -31.428 17.533 -61.733 1.00 25.00 H new ATOM 204 N VAL A 426 -33.750 15.908 -61.068 1.00 25.00 N ATOM 205 CA VAL A 426 -34.221 14.844 -60.177 1.00 25.00 C ATOM 206 C VAL A 426 -35.601 14.353 -60.604 1.00 25.00 C ATOM 207 O VAL A 426 -35.920 13.180 -60.470 1.00 25.00 O ATOM 208 CB VAL A 426 -34.186 15.296 -58.690 1.00 25.00 C ATOM 209 CG1 VAL A 426 -35.193 16.384 -58.380 1.00 25.00 C ATOM 210 CG2 VAL A 426 -34.381 14.109 -57.765 1.00 25.00 C ATOM 0 H VAL A 426 -33.741 16.840 -60.653 1.00 25.00 H new ATOM 0 HA VAL A 426 -33.539 13.998 -60.261 1.00 25.00 H new ATOM 0 HB VAL A 426 -33.199 15.725 -58.518 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -35.121 16.657 -57.327 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -34.986 17.258 -58.997 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -36.198 16.020 -58.592 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -34.353 14.447 -56.729 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -35.345 13.643 -57.969 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -33.585 13.383 -57.932 1.00 25.00 H new ATOM 220 N GLU A 427 -36.404 15.245 -61.152 1.00 25.00 N ATOM 221 CA GLU A 427 -37.709 14.868 -61.705 1.00 25.00 C ATOM 222 C GLU A 427 -37.494 13.818 -62.796 1.00 25.00 C ATOM 223 O GLU A 427 -38.210 12.818 -62.865 1.00 25.00 O ATOM 224 CB GLU A 427 -38.423 16.084 -62.308 1.00 25.00 C ATOM 225 CG GLU A 427 -39.209 16.922 -61.299 1.00 25.00 C ATOM 226 CD GLU A 427 -39.781 18.198 -61.921 1.00 25.00 C ATOM 227 OE1 GLU A 427 -40.427 18.108 -62.992 1.00 25.00 O ATOM 228 OE2 GLU A 427 -39.595 19.292 -61.336 1.00 25.00 O ATOM 0 H GLU A 427 -36.184 16.238 -61.230 1.00 25.00 H new ATOM 0 HA GLU A 427 -38.330 14.469 -60.903 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -37.683 16.721 -62.792 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -39.105 15.740 -63.086 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -40.023 16.324 -60.890 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -38.558 17.187 -60.466 1.00 25.00 H new ATOM 235 N ALA A 428 -36.495 14.037 -63.642 1.00 25.00 N ATOM 236 CA ALA A 428 -36.177 13.083 -64.698 1.00 25.00 C ATOM 237 C ALA A 428 -35.650 11.770 -64.102 1.00 25.00 C ATOM 238 O ALA A 428 -35.962 10.692 -64.605 1.00 25.00 O ATOM 239 CB ALA A 428 -35.148 13.688 -65.660 1.00 25.00 C ATOM 0 H ALA A 428 -35.894 14.861 -63.619 1.00 25.00 H new ATOM 0 HA ALA A 428 -37.089 12.861 -65.253 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -34.917 12.968 -66.445 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -35.557 14.594 -66.107 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -34.238 13.932 -65.112 1.00 25.00 H new ATOM 245 N ALA A 429 -34.870 11.866 -63.032 1.00 25.00 N ATOM 246 CA ALA A 429 -34.314 10.683 -62.377 1.00 25.00 C ATOM 247 C ALA A 429 -35.429 9.799 -61.802 1.00 25.00 C ATOM 248 O ALA A 429 -35.407 8.584 -61.958 1.00 25.00 O ATOM 249 CB ALA A 429 -33.336 11.099 -61.270 1.00 25.00 C ATOM 0 H ALA A 429 -34.607 12.750 -62.597 1.00 25.00 H new ATOM 0 HA ALA A 429 -33.773 10.102 -63.124 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -32.929 10.209 -60.790 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -32.523 11.682 -61.703 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -33.860 11.703 -60.529 1.00 25.00 H new ATOM 255 N GLU A 430 -36.407 10.412 -61.151 1.00 25.00 N ATOM 256 CA GLU A 430 -37.536 9.671 -60.581 1.00 25.00 C ATOM 257 C GLU A 430 -38.272 8.954 -61.699 1.00 25.00 C ATOM 258 O GLU A 430 -38.612 7.767 -61.606 1.00 25.00 O ATOM 259 CB GLU A 430 -38.510 10.634 -59.901 1.00 25.00 C ATOM 260 CG GLU A 430 -37.991 11.250 -58.622 1.00 25.00 C ATOM 261 CD GLU A 430 -38.206 10.348 -57.417 1.00 25.00 C ATOM 262 OE1 GLU A 430 -39.375 10.169 -57.003 1.00 25.00 O ATOM 263 OE2 GLU A 430 -37.212 9.809 -56.886 1.00 25.00 O ATOM 0 H GLU A 430 -36.447 11.420 -61.001 1.00 25.00 H new ATOM 0 HA GLU A 430 -37.158 8.958 -59.849 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -38.759 11.433 -60.600 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -39.436 10.101 -59.683 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -36.927 11.462 -58.729 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -38.490 12.204 -58.452 1.00 25.00 H new ATOM 270 N LEU A 431 -38.508 9.685 -62.775 1.00 25.00 N ATOM 271 CA LEU A 431 -39.206 9.132 -63.925 1.00 25.00 C ATOM 272 C LEU A 431 -38.451 7.963 -64.550 1.00 25.00 C ATOM 273 O LEU A 431 -39.070 6.958 -64.893 1.00 25.00 O ATOM 274 CB LEU A 431 -39.444 10.218 -64.981 1.00 25.00 C ATOM 275 CG LEU A 431 -40.538 11.244 -64.642 1.00 25.00 C ATOM 276 CD1 LEU A 431 -40.464 12.412 -65.623 1.00 25.00 C ATOM 277 CD2 LEU A 431 -41.941 10.616 -64.694 1.00 25.00 C ATOM 0 H LEU A 431 -38.228 10.660 -62.877 1.00 25.00 H new ATOM 0 HA LEU A 431 -40.164 8.756 -63.565 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -38.508 10.752 -65.145 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -39.704 9.734 -65.922 1.00 25.00 H new ATOM 0 HG LEU A 431 -40.365 11.596 -63.625 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -41.240 13.139 -65.382 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -39.486 12.887 -65.550 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -40.614 12.045 -66.638 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -42.687 11.372 -64.449 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -42.130 10.231 -65.696 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -42.001 9.800 -63.974 1.00 25.00 H new ATOM 289 N GLU A 432 -37.141 8.063 -64.719 1.00 25.00 N ATOM 290 CA GLU A 432 -36.407 6.954 -65.328 1.00 25.00 C ATOM 291 C GLU A 432 -36.256 5.767 -64.372 1.00 25.00 C ATOM 292 O GLU A 432 -36.287 4.623 -64.822 1.00 25.00 O ATOM 293 CB GLU A 432 -35.069 7.387 -65.941 1.00 25.00 C ATOM 294 CG GLU A 432 -33.939 7.691 -64.979 1.00 25.00 C ATOM 295 CD GLU A 432 -32.646 7.999 -65.725 1.00 25.00 C ATOM 296 OE1 GLU A 432 -32.702 8.713 -66.753 1.00 25.00 O ATOM 297 OE2 GLU A 432 -31.576 7.518 -65.297 1.00 25.00 O ATOM 0 H GLU A 432 -36.576 8.870 -64.455 1.00 25.00 H new ATOM 0 HA GLU A 432 -37.017 6.609 -66.162 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -34.736 6.600 -66.617 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -35.246 8.275 -66.548 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -34.211 8.540 -64.352 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -33.785 6.840 -64.315 1.00 25.00 H new ATOM 304 N MET A 433 -36.135 6.010 -63.071 1.00 25.00 N ATOM 305 CA MET A 433 -36.056 4.906 -62.104 1.00 25.00 C ATOM 306 C MET A 433 -37.341 4.101 -62.160 1.00 25.00 C ATOM 307 O MET A 433 -37.323 2.871 -62.105 1.00 25.00 O ATOM 308 CB MET A 433 -35.842 5.415 -60.677 1.00 25.00 C ATOM 309 CG MET A 433 -34.399 5.775 -60.377 1.00 25.00 C ATOM 310 SD MET A 433 -34.129 6.166 -58.626 1.00 25.00 S ATOM 311 CE MET A 433 -34.976 7.755 -58.450 1.00 25.00 C ATOM 0 H MET A 433 -36.090 6.943 -62.661 1.00 25.00 H new ATOM 0 HA MET A 433 -35.201 4.284 -62.371 1.00 25.00 H new ATOM 0 HB2 MET A 433 -36.469 6.291 -60.514 1.00 25.00 H new ATOM 0 HB3 MET A 433 -36.172 4.651 -59.973 1.00 25.00 H new ATOM 0 HG2 MET A 433 -33.754 4.945 -60.664 1.00 25.00 H new ATOM 0 HG3 MET A 433 -34.107 6.631 -60.986 1.00 25.00 H new ATOM 0 HE1 MET A 433 -34.578 8.286 -57.585 1.00 25.00 H new ATOM 0 HE2 MET A 433 -34.817 8.353 -59.347 1.00 25.00 H new ATOM 0 HE3 MET A 433 -36.044 7.585 -58.311 1.00 25.00 H new ATOM 321 N THR A 434 -38.460 4.798 -62.297 1.00 25.00 N ATOM 322 CA THR A 434 -39.775 4.157 -62.395 1.00 25.00 C ATOM 323 C THR A 434 -39.807 3.136 -63.545 1.00 25.00 C ATOM 324 O THR A 434 -40.538 2.152 -63.501 1.00 25.00 O ATOM 325 CB THR A 434 -40.891 5.224 -62.612 1.00 25.00 C ATOM 326 OG1 THR A 434 -40.844 6.192 -61.562 1.00 25.00 O ATOM 327 CG2 THR A 434 -42.281 4.607 -62.583 1.00 25.00 C ATOM 0 H THR A 434 -38.489 5.817 -62.344 1.00 25.00 H new ATOM 0 HA THR A 434 -39.958 3.633 -61.457 1.00 25.00 H new ATOM 0 HB THR A 434 -40.711 5.675 -63.588 1.00 25.00 H new ATOM 0 HG1 THR A 434 -40.080 6.789 -61.702 1.00 25.00 H new ATOM 0 HG21 THR A 434 -43.028 5.386 -62.738 1.00 25.00 H new ATOM 0 HG22 THR A 434 -42.365 3.861 -63.374 1.00 25.00 H new ATOM 0 HG23 THR A 434 -42.448 4.131 -61.617 1.00 25.00 H new ATOM 335 N ARG A 435 -39.007 3.358 -64.578 1.00 25.00 N ATOM 336 CA ARG A 435 -38.998 2.458 -65.740 1.00 25.00 C ATOM 337 C ARG A 435 -38.404 1.110 -65.374 1.00 25.00 C ATOM 338 O ARG A 435 -38.933 0.083 -65.769 1.00 25.00 O ATOM 339 CB ARG A 435 -38.195 3.045 -66.911 1.00 25.00 C ATOM 340 CG ARG A 435 -38.577 4.467 -67.309 1.00 25.00 C ATOM 341 CD ARG A 435 -39.977 4.580 -67.890 1.00 25.00 C ATOM 342 NE ARG A 435 -40.281 5.993 -68.188 1.00 25.00 N ATOM 343 CZ ARG A 435 -41.011 6.804 -67.427 1.00 25.00 C ATOM 344 NH1 ARG A 435 -41.586 6.407 -66.318 1.00 25.00 N ATOM 345 NH2 ARG A 435 -41.165 8.045 -67.795 1.00 25.00 N ATOM 0 H ARG A 435 -38.359 4.143 -64.643 1.00 25.00 H new ATOM 0 HA ARG A 435 -40.036 2.336 -66.048 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -37.137 3.029 -66.650 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -38.319 2.396 -67.778 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -38.502 5.113 -66.434 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -37.858 4.836 -68.040 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -40.053 3.983 -68.798 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -40.707 4.182 -67.185 1.00 25.00 H new ATOM 0 HE ARG A 435 -39.899 6.381 -69.051 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -41.482 5.441 -66.007 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -42.137 7.064 -65.766 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -40.729 8.380 -68.654 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -41.721 8.681 -67.224 1.00 25.00 H new ATOM 359 N GLN A 436 -37.307 1.101 -64.628 1.00 25.00 N ATOM 360 CA GLN A 436 -36.704 -0.171 -64.226 1.00 25.00 C ATOM 361 C GLN A 436 -37.595 -0.805 -63.175 1.00 25.00 C ATOM 362 O GLN A 436 -37.824 -2.004 -63.186 1.00 25.00 O ATOM 363 CB GLN A 436 -35.296 0.006 -63.647 1.00 25.00 C ATOM 364 CG GLN A 436 -34.255 0.519 -64.643 1.00 25.00 C ATOM 365 CD GLN A 436 -34.132 2.025 -64.634 1.00 25.00 C ATOM 366 OE1 GLN A 436 -34.010 2.630 -63.594 1.00 25.00 O ATOM 367 NE2 GLN A 436 -34.158 2.626 -65.792 1.00 25.00 N ATOM 0 H GLN A 436 -36.824 1.935 -64.294 1.00 25.00 H new ATOM 0 HA GLN A 436 -36.614 -0.801 -65.111 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -35.348 0.699 -62.807 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -34.958 -0.951 -63.250 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -33.286 0.078 -64.409 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -34.523 0.186 -65.646 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -34.262 2.080 -66.647 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -34.074 3.641 -65.842 1.00 25.00 H new ATOM 376 N VAL A 437 -38.100 0.025 -62.276 1.00 25.00 N ATOM 377 CA VAL A 437 -38.960 -0.410 -61.179 1.00 25.00 C ATOM 378 C VAL A 437 -40.189 -1.182 -61.670 1.00 25.00 C ATOM 379 O VAL A 437 -40.552 -2.203 -61.094 1.00 25.00 O ATOM 380 CB VAL A 437 -39.365 0.848 -60.345 1.00 25.00 C ATOM 381 CG1 VAL A 437 -40.656 0.651 -59.572 1.00 25.00 C ATOM 382 CG2 VAL A 437 -38.220 1.244 -59.393 1.00 25.00 C ATOM 0 H VAL A 437 -37.925 1.030 -62.285 1.00 25.00 H new ATOM 0 HA VAL A 437 -38.408 -1.109 -60.551 1.00 25.00 H new ATOM 0 HB VAL A 437 -39.546 1.657 -61.053 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -40.887 1.557 -59.012 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -41.468 0.438 -60.268 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -40.542 -0.184 -58.880 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -38.513 2.122 -58.817 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -38.009 0.418 -58.714 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -37.327 1.473 -59.974 1.00 25.00 H new ATOM 392 N LEU A 438 -40.818 -0.717 -62.738 1.00 25.00 N ATOM 393 CA LEU A 438 -42.014 -1.381 -63.271 1.00 25.00 C ATOM 394 C LEU A 438 -41.712 -2.684 -64.015 1.00 25.00 C ATOM 395 O LEU A 438 -42.627 -3.426 -64.361 1.00 25.00 O ATOM 396 CB LEU A 438 -42.768 -0.431 -64.209 1.00 25.00 C ATOM 397 CG LEU A 438 -43.527 0.722 -63.528 1.00 25.00 C ATOM 398 CD1 LEU A 438 -44.049 1.681 -64.598 1.00 25.00 C ATOM 399 CD2 LEU A 438 -44.699 0.215 -62.679 1.00 25.00 C ATOM 0 H LEU A 438 -40.528 0.113 -63.256 1.00 25.00 H new ATOM 0 HA LEU A 438 -42.626 -1.640 -62.407 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -42.054 -0.004 -64.914 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -43.480 -1.016 -64.791 1.00 25.00 H new ATOM 0 HG LEU A 438 -42.833 1.234 -62.861 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -44.588 2.500 -64.121 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -43.211 2.081 -65.168 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -44.721 1.146 -65.269 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -45.207 1.062 -62.217 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -45.401 -0.326 -63.314 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -44.324 -0.451 -61.902 1.00 25.00 H new ATOM 720 N ALA A 462 -17.962 -33.078 -45.376 1.00 25.00 N ATOM 721 CA ALA A 462 -16.943 -33.097 -44.339 1.00 25.00 C ATOM 722 C ALA A 462 -17.535 -33.613 -43.027 1.00 25.00 C ATOM 723 O ALA A 462 -16.930 -34.447 -42.359 1.00 25.00 O ATOM 724 CB ALA A 462 -16.356 -31.693 -44.151 1.00 25.00 C ATOM 0 HA ALA A 462 -16.141 -33.770 -44.643 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.594 -31.719 -43.372 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.908 -31.358 -45.086 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.148 -31.003 -43.861 1.00 25.00 H new ATOM 730 N LEU A 463 -18.718 -33.134 -42.658 1.00 25.00 N ATOM 731 CA LEU A 463 -19.351 -33.588 -41.425 1.00 25.00 C ATOM 732 C LEU A 463 -19.735 -35.060 -41.546 1.00 25.00 C ATOM 733 O LEU A 463 -19.587 -35.804 -40.598 1.00 25.00 O ATOM 734 CB LEU A 463 -20.540 -32.684 -41.050 1.00 25.00 C ATOM 735 CG LEU A 463 -21.996 -33.089 -41.356 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.573 -34.065 -40.325 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.840 -31.834 -41.363 1.00 25.00 C ATOM 0 H LEU A 463 -19.251 -32.442 -43.185 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.640 -33.508 -40.603 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.479 -32.513 -39.975 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.371 -31.723 -41.536 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.007 -33.596 -42.321 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.600 -34.313 -40.594 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.972 -34.974 -40.309 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.558 -33.603 -39.338 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.877 -32.094 -41.578 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.781 -31.351 -40.388 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.471 -31.152 -42.129 1.00 25.00 H new ATOM 749 N GLN A 464 -20.198 -35.497 -42.709 1.00 25.00 N ATOM 750 CA GLN A 464 -20.538 -36.907 -42.902 1.00 25.00 C ATOM 751 C GLN A 464 -19.303 -37.780 -42.718 1.00 25.00 C ATOM 752 O GLN A 464 -19.381 -38.884 -42.179 1.00 25.00 O ATOM 753 CB GLN A 464 -21.144 -37.113 -44.283 1.00 25.00 C ATOM 754 CG GLN A 464 -22.532 -36.519 -44.387 1.00 25.00 C ATOM 755 CD GLN A 464 -23.117 -36.678 -45.754 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.738 -36.006 -46.705 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.040 -37.582 -45.865 1.00 25.00 N ATOM 0 H GLN A 464 -20.347 -34.906 -43.527 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.275 -37.199 -42.154 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.498 -36.658 -45.034 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.188 -38.179 -44.504 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.185 -36.997 -43.657 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.491 -35.460 -44.133 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.327 -38.121 -45.048 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.479 -37.755 -46.770 1.00 25.00 H new ATOM 766 N GLY A 465 -18.158 -37.266 -43.137 1.00 25.00 N ATOM 767 CA GLY A 465 -16.908 -37.967 -42.943 1.00 25.00 C ATOM 768 C GLY A 465 -16.603 -38.009 -41.466 1.00 25.00 C ATOM 769 O GLY A 465 -16.263 -39.052 -40.940 1.00 25.00 O ATOM 0 H GLY A 465 -18.073 -36.368 -43.612 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -16.975 -38.978 -43.344 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.105 -37.464 -43.481 1.00 25.00 H new ATOM 773 N ALA A 466 -16.753 -36.877 -40.792 1.00 25.00 N ATOM 774 CA ALA A 466 -16.504 -36.781 -39.355 1.00 25.00 C ATOM 775 C ALA A 466 -17.336 -37.805 -38.569 1.00 25.00 C ATOM 776 O ALA A 466 -16.856 -38.393 -37.614 1.00 25.00 O ATOM 777 CB ALA A 466 -16.810 -35.364 -38.867 1.00 25.00 C ATOM 0 H ALA A 466 -17.050 -36.001 -41.221 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.452 -37.005 -39.179 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.622 -35.300 -37.795 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.171 -34.653 -39.391 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.855 -35.128 -39.067 1.00 25.00 H new ATOM 783 N GLN A 467 -18.574 -38.024 -38.979 1.00 25.00 N ATOM 784 CA GLN A 467 -19.433 -39.003 -38.313 1.00 25.00 C ATOM 785 C GLN A 467 -18.918 -40.424 -38.541 1.00 25.00 C ATOM 786 O GLN A 467 -18.885 -41.243 -37.626 1.00 25.00 O ATOM 787 CB GLN A 467 -20.848 -38.926 -38.879 1.00 25.00 C ATOM 788 CG GLN A 467 -21.561 -37.582 -38.681 1.00 25.00 C ATOM 789 CD GLN A 467 -21.921 -37.268 -37.247 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.984 -38.133 -36.392 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.172 -36.008 -36.988 1.00 25.00 N ATOM 0 H GLN A 467 -19.010 -37.543 -39.765 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.430 -38.774 -37.247 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.807 -39.143 -39.946 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.449 -39.709 -38.417 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.922 -36.786 -39.064 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.471 -37.576 -39.280 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.109 -35.312 -37.731 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.431 -35.723 -36.043 1.00 25.00 H new ATOM 800 N ALA A 468 -18.522 -40.718 -39.772 1.00 25.00 N ATOM 801 CA ALA A 468 -18.044 -42.052 -40.118 1.00 25.00 C ATOM 802 C ALA A 468 -16.738 -42.361 -39.382 1.00 25.00 C ATOM 803 O ALA A 468 -16.562 -43.445 -38.825 1.00 25.00 O ATOM 804 CB ALA A 468 -17.843 -42.158 -41.637 1.00 25.00 C ATOM 0 H ALA A 468 -18.522 -40.054 -40.546 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.791 -42.784 -39.810 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.486 -43.157 -41.888 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.791 -41.974 -42.143 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.110 -41.419 -41.959 1.00 25.00 H new ATOM 810 N VAL A 469 -15.824 -41.402 -39.367 1.00 25.00 N ATOM 811 CA VAL A 469 -14.543 -41.605 -38.700 1.00 25.00 C ATOM 812 C VAL A 469 -14.730 -41.635 -37.194 1.00 25.00 C ATOM 813 O VAL A 469 -13.952 -42.259 -36.511 1.00 25.00 O ATOM 814 CB VAL A 469 -13.464 -40.544 -39.090 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.281 -40.516 -40.609 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.824 -39.166 -38.582 1.00 25.00 C ATOM 0 H VAL A 469 -15.941 -40.487 -39.802 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.168 -42.569 -39.044 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.526 -40.835 -38.618 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.527 -39.774 -40.871 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -12.959 -41.498 -40.955 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.227 -40.256 -41.085 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.049 -38.457 -38.874 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.778 -38.858 -39.010 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.905 -39.189 -37.495 1.00 25.00 H new ATOM 826 N ALA A 470 -15.759 -40.979 -36.670 1.00 25.00 N ATOM 827 CA ALA A 470 -16.000 -40.976 -35.224 1.00 25.00 C ATOM 828 C ALA A 470 -16.174 -42.402 -34.695 1.00 25.00 C ATOM 829 O ALA A 470 -15.763 -42.702 -33.573 1.00 25.00 O ATOM 830 CB ALA A 470 -17.230 -40.126 -34.878 1.00 25.00 C ATOM 0 H ALA A 470 -16.436 -40.446 -37.215 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.128 -40.535 -34.741 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.389 -40.139 -33.800 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.068 -39.100 -35.209 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.107 -40.535 -35.379 1.00 25.00 H new ATOM 836 N ALA A 471 -16.760 -43.279 -35.499 1.00 25.00 N ATOM 837 CA ALA A 471 -16.919 -44.676 -35.107 1.00 25.00 C ATOM 838 C ALA A 471 -15.538 -45.335 -34.973 1.00 25.00 C ATOM 839 O ALA A 471 -15.310 -46.137 -34.077 1.00 25.00 O ATOM 840 CB ALA A 471 -17.776 -45.420 -36.137 1.00 25.00 C ATOM 0 H ALA A 471 -17.132 -43.052 -36.421 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.426 -44.724 -34.143 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.887 -46.461 -35.834 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.759 -44.953 -36.198 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.292 -45.376 -37.113 1.00 25.00 H new ATOM 846 N ALA A 472 -14.620 -44.976 -35.857 1.00 25.00 N ATOM 847 CA ALA A 472 -13.254 -45.485 -35.790 1.00 25.00 C ATOM 848 C ALA A 472 -12.496 -44.840 -34.621 1.00 25.00 C ATOM 849 O ALA A 472 -11.674 -45.479 -33.989 1.00 25.00 O ATOM 850 CB ALA A 472 -12.524 -45.224 -37.117 1.00 25.00 C ATOM 0 H ALA A 472 -14.794 -44.334 -36.630 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.291 -46.561 -35.620 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.506 -45.608 -37.054 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.052 -45.726 -37.928 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.496 -44.152 -37.312 1.00 25.00 H new ATOM 856 N GLN A 473 -12.767 -43.574 -34.340 1.00 25.00 N ATOM 857 CA GLN A 473 -12.082 -42.869 -33.257 1.00 25.00 C ATOM 858 C GLN A 473 -12.452 -43.420 -31.890 1.00 25.00 C ATOM 859 O GLN A 473 -11.586 -43.666 -31.059 1.00 25.00 O ATOM 860 CB GLN A 473 -12.416 -41.370 -33.262 1.00 25.00 C ATOM 861 CG GLN A 473 -11.983 -40.599 -34.505 1.00 25.00 C ATOM 862 CD GLN A 473 -10.495 -40.355 -34.590 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.761 -40.519 -33.633 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.049 -39.951 -35.750 1.00 25.00 N ATOM 0 H GLN A 473 -13.454 -43.012 -34.843 1.00 25.00 H new ATOM 0 HA GLN A 473 -11.017 -43.020 -33.436 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.494 -41.256 -33.144 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.950 -40.910 -32.391 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.302 -41.149 -35.390 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.500 -39.639 -34.523 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.695 -39.825 -36.529 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.055 -39.762 -35.876 1.00 25.00 H new ATOM 873 N ARG A 474 -13.741 -43.624 -31.650 1.00 25.00 N ATOM 874 CA ARG A 474 -14.183 -44.170 -30.357 1.00 25.00 C ATOM 875 C ARG A 474 -13.610 -45.570 -30.182 1.00 25.00 C ATOM 876 O ARG A 474 -13.391 -46.030 -29.069 1.00 25.00 O ATOM 877 CB ARG A 474 -15.718 -44.180 -30.240 1.00 25.00 C ATOM 878 CG ARG A 474 -16.436 -45.088 -31.229 1.00 25.00 C ATOM 879 CD ARG A 474 -17.949 -44.973 -31.121 1.00 25.00 C ATOM 880 NE ARG A 474 -18.454 -45.494 -29.839 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.734 -45.542 -29.483 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.696 -45.116 -30.266 1.00 25.00 N ATOM 883 NH2 ARG A 474 -20.052 -46.038 -28.319 1.00 25.00 N ATOM 0 H ARG A 474 -14.491 -43.427 -32.313 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.811 -43.527 -29.559 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.988 -44.485 -29.229 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -16.084 -43.162 -30.374 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.126 -44.835 -32.243 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.138 -46.122 -31.053 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.241 -43.928 -31.228 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.413 -45.519 -31.942 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.767 -45.846 -29.172 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.474 -44.731 -31.184 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.667 -45.170 -29.957 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.322 -46.383 -27.695 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -21.030 -46.081 -28.033 1.00 25.00 H new ATOM 897 N LEU A 475 -13.357 -46.226 -31.301 1.00 25.00 N ATOM 898 CA LEU A 475 -12.765 -47.551 -31.314 1.00 25.00 C ATOM 899 C LEU A 475 -11.259 -47.487 -31.011 1.00 25.00 C ATOM 900 O LEU A 475 -10.788 -48.187 -30.124 1.00 25.00 O ATOM 901 CB LEU A 475 -13.036 -48.195 -32.685 1.00 25.00 C ATOM 902 CG LEU A 475 -11.968 -49.108 -33.299 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.821 -50.390 -32.476 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.336 -49.458 -34.728 1.00 25.00 C ATOM 0 H LEU A 475 -13.557 -45.853 -32.229 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.216 -48.163 -30.533 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.956 -48.774 -32.601 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.229 -47.390 -33.395 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.017 -48.575 -33.294 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.059 -51.026 -32.926 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.527 -50.137 -31.457 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.772 -50.921 -32.457 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.570 -50.107 -35.153 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.296 -49.974 -34.741 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.407 -48.545 -35.319 1.00 25.00 H new ATOM 916 N VAL A 476 -10.501 -46.671 -31.736 1.00 25.00 N ATOM 917 CA VAL A 476 -9.045 -46.645 -31.554 1.00 25.00 C ATOM 918 C VAL A 476 -8.708 -46.169 -30.150 1.00 25.00 C ATOM 919 O VAL A 476 -7.774 -46.663 -29.518 1.00 25.00 O ATOM 920 CB VAL A 476 -8.311 -45.800 -32.655 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.655 -44.326 -32.580 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.799 -45.987 -32.553 1.00 25.00 C ATOM 0 H VAL A 476 -10.857 -46.028 -32.444 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.675 -47.663 -31.674 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.660 -46.168 -33.620 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.121 -43.787 -33.363 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.728 -44.195 -32.717 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.363 -43.933 -31.606 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.306 -45.394 -33.324 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.458 -45.661 -31.571 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.552 -47.040 -32.692 1.00 25.00 H new ATOM 932 N HIS A 477 -9.487 -45.226 -29.648 1.00 25.00 N ATOM 933 CA HIS A 477 -9.284 -44.714 -28.316 1.00 25.00 C ATOM 934 C HIS A 477 -9.517 -45.813 -27.289 1.00 25.00 C ATOM 935 O HIS A 477 -8.844 -45.852 -26.275 1.00 25.00 O ATOM 936 CB HIS A 477 -10.214 -43.530 -28.065 1.00 25.00 C ATOM 937 CG HIS A 477 -9.772 -42.661 -26.930 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.468 -41.576 -26.459 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.648 -42.715 -26.167 1.00 25.00 C ATOM 940 CE1 HIS A 477 -9.771 -41.036 -25.461 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.653 -41.695 -25.238 1.00 25.00 N ATOM 0 H HIS A 477 -10.267 -44.802 -30.150 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.254 -44.370 -28.219 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.277 -42.928 -28.971 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.218 -43.902 -27.859 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.864 -43.450 -26.273 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.084 -40.165 -24.904 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -7.945 -41.495 -24.532 1.00 25.00 H new ATOM 949 N ALA A 478 -10.451 -46.720 -27.548 1.00 25.00 N ATOM 950 CA ALA A 478 -10.723 -47.788 -26.597 1.00 25.00 C ATOM 951 C ALA A 478 -9.478 -48.662 -26.423 1.00 25.00 C ATOM 952 O ALA A 478 -9.115 -49.015 -25.308 1.00 25.00 O ATOM 953 CB ALA A 478 -11.916 -48.629 -27.061 1.00 25.00 C ATOM 0 H ALA A 478 -11.023 -46.738 -28.392 1.00 25.00 H new ATOM 0 HA ALA A 478 -10.976 -47.346 -25.633 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.105 -49.423 -26.338 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.799 -47.995 -27.142 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.695 -49.069 -28.033 1.00 25.00 H new ATOM 959 N ILE A 479 -8.818 -49.001 -27.521 1.00 25.00 N ATOM 960 CA ILE A 479 -7.624 -49.848 -27.447 1.00 25.00 C ATOM 961 C ILE A 479 -6.478 -49.068 -26.837 1.00 25.00 C ATOM 962 O ILE A 479 -5.680 -49.620 -26.104 1.00 25.00 O ATOM 963 CB ILE A 479 -7.169 -50.352 -28.831 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.315 -51.056 -29.557 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.986 -51.341 -28.706 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.499 -50.498 -30.902 1.00 25.00 C ATOM 0 H ILE A 479 -9.079 -48.711 -28.463 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.891 -50.709 -26.834 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.852 -49.478 -29.400 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -8.106 -52.124 -29.626 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.236 -50.948 -28.984 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.688 -51.679 -29.698 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.145 -50.843 -28.224 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.291 -52.199 -28.107 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.320 -51.014 -31.401 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.731 -49.436 -30.827 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.584 -50.630 -31.479 1.00 25.00 H new ATOM 978 N ALA A 480 -6.410 -47.775 -27.122 1.00 25.00 N ATOM 979 CA ALA A 480 -5.360 -46.923 -26.572 1.00 25.00 C ATOM 980 C ALA A 480 -5.393 -46.985 -25.039 1.00 25.00 C ATOM 981 O ALA A 480 -4.381 -46.788 -24.372 1.00 25.00 O ATOM 982 CB ALA A 480 -5.535 -45.481 -27.066 1.00 25.00 C ATOM 0 H ALA A 480 -7.069 -47.291 -27.731 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.389 -47.282 -26.913 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.746 -44.855 -26.649 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.478 -45.460 -28.154 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.506 -45.102 -26.746 1.00 25.00 H new ATOM 988 N LEU A 481 -6.564 -47.265 -24.486 1.00 25.00 N ATOM 989 CA LEU A 481 -6.694 -47.400 -23.034 1.00 25.00 C ATOM 990 C LEU A 481 -6.252 -48.778 -22.608 1.00 25.00 C ATOM 991 O LEU A 481 -5.548 -48.938 -21.628 1.00 25.00 O ATOM 992 CB LEU A 481 -8.126 -47.155 -22.588 1.00 25.00 C ATOM 993 CG LEU A 481 -8.569 -45.758 -23.002 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.080 -45.723 -23.104 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.068 -44.682 -22.043 1.00 25.00 C ATOM 0 H LEU A 481 -7.429 -47.402 -25.008 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.058 -46.651 -22.562 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.786 -47.901 -23.031 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.202 -47.264 -21.506 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.128 -45.537 -23.974 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.402 -44.725 -23.400 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.411 -46.447 -23.849 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.516 -45.973 -22.137 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.411 -43.704 -22.382 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.457 -44.876 -21.043 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -6.978 -44.696 -22.018 1.00 25.00 H new ATOM 1007 N MET A 482 -6.653 -49.787 -23.357 1.00 25.00 N ATOM 1008 CA MET A 482 -6.278 -51.161 -23.034 1.00 25.00 C ATOM 1009 C MET A 482 -4.778 -51.348 -23.065 1.00 25.00 C ATOM 1010 O MET A 482 -4.235 -52.183 -22.351 1.00 25.00 O ATOM 1011 CB MET A 482 -6.917 -52.133 -24.017 1.00 25.00 C ATOM 1012 CG MET A 482 -8.394 -52.007 -23.996 1.00 25.00 C ATOM 1013 SD MET A 482 -9.269 -53.461 -24.605 1.00 25.00 S ATOM 1014 CE MET A 482 -9.087 -53.269 -26.379 1.00 25.00 C ATOM 0 H MET A 482 -7.235 -49.689 -24.189 1.00 25.00 H new ATOM 0 HA MET A 482 -6.637 -51.364 -22.025 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.545 -51.937 -25.023 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.631 -53.154 -23.764 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.716 -51.805 -22.974 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.682 -51.145 -24.597 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.565 -54.107 -26.887 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.558 -52.338 -26.694 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.028 -53.245 -26.636 1.00 25.00 H new ATOM 1024 N THR A 483 -4.102 -50.564 -23.884 1.00 25.00 N ATOM 1025 CA THR A 483 -2.656 -50.734 -24.042 1.00 25.00 C ATOM 1026 C THR A 483 -1.879 -50.096 -22.904 1.00 25.00 C ATOM 1027 O THR A 483 -0.703 -50.390 -22.710 1.00 25.00 O ATOM 1028 CB THR A 483 -2.175 -50.174 -25.379 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.624 -48.828 -25.521 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.739 -50.996 -26.522 1.00 25.00 C ATOM 0 H THR A 483 -4.513 -49.816 -24.443 1.00 25.00 H new ATOM 0 HA THR A 483 -2.465 -51.807 -24.020 1.00 25.00 H new ATOM 0 HB THR A 483 -1.086 -50.212 -25.403 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.314 -48.468 -26.378 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.390 -50.588 -27.471 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.405 -52.029 -26.426 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.828 -50.962 -26.492 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.539 -49.244 -22.132 1.00 25.00 N ATOM 1039 CA GLN A 484 -1.910 -48.641 -20.962 1.00 25.00 C ATOM 1040 C GLN A 484 -2.435 -49.267 -19.668 1.00 25.00 C ATOM 1041 O GLN A 484 -1.682 -49.410 -18.709 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.052 -47.108 -20.968 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.475 -46.582 -20.977 1.00 25.00 C ATOM 1044 CD GLN A 484 -3.530 -45.085 -21.141 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.232 -44.339 -20.226 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -3.906 -44.639 -22.309 1.00 25.00 N ATOM 0 H GLN A 484 -3.504 -48.955 -22.292 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.842 -48.855 -21.011 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.542 -46.710 -20.091 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.533 -46.716 -21.843 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.030 -47.055 -21.788 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -3.969 -46.862 -20.047 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.148 -45.295 -23.052 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -3.958 -43.635 -22.479 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.699 -49.670 -19.631 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.253 -50.312 -18.453 1.00 25.00 C ATOM 1057 C PHE A 485 -3.736 -51.741 -18.349 1.00 25.00 C ATOM 1058 O PHE A 485 -3.531 -52.259 -17.254 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.778 -50.313 -18.532 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.416 -49.087 -17.926 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.595 -47.909 -18.681 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.835 -49.103 -16.582 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.186 -46.759 -18.103 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.429 -47.958 -15.993 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.603 -46.785 -16.757 1.00 25.00 C ATOM 0 H PHE A 485 -4.356 -49.562 -20.404 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.944 -49.758 -17.567 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.079 -50.390 -19.577 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.159 -51.199 -18.024 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.277 -47.884 -19.713 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.702 -49.998 -15.992 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.317 -45.864 -18.693 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.748 -47.984 -14.961 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.054 -45.910 -16.312 1.00 25.00 H new