USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 427 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 416 SER OG : rot 180:sc= 0.042 USER MOD Single : A 417 SER OG : rot 88:sc= 0.973 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0 USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 432 ASN : amide:sc= -0.0921 K(o=-0.092,f=-2!) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 74:sc= 0.107 USER MOD Single : A 440 SER OG : rot 92:sc= 1.23 USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 THR OG1 : rot -159:sc= 0.167 USER MOD Single : A 444 SER OG : rot 66:sc= 0.464 USER MOD Single : A 447 SER OG : rot -26:sc= 0.146 USER MOD Single : A 449 GLN : amide:sc= -0.007 K(o=-0.007,f=-1.2) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 88:sc= 0.338 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 TYR OH : rot 150:sc= -0.958! USER MOD Single : A 464 SER OG : rot 180:sc=-0.00926 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -17.554 -1.318 -5.404 1.00 32.12 N ATOM 2 CA GLU A 414 -17.423 -0.571 -6.650 1.00 4.51 C ATOM 3 C GLU A 414 -16.725 0.765 -6.411 1.00 4.22 C ATOM 4 O GLU A 414 -15.660 1.030 -6.969 1.00 52.43 O ATOM 5 CB GLU A 414 -18.798 -0.335 -7.276 1.00 62.40 C ATOM 6 CG GLU A 414 -19.071 -1.209 -8.489 1.00 55.52 C ATOM 7 CD GLU A 414 -18.897 -0.463 -9.797 1.00 71.24 C ATOM 8 OE1 GLU A 414 -17.745 -0.116 -10.133 1.00 33.31 O ATOM 9 OE2 GLU A 414 -19.911 -0.225 -10.485 1.00 75.34 O ATOM 0 HA GLU A 414 -16.816 -1.162 -7.336 1.00 4.51 H new ATOM 0 HB2 GLU A 414 -19.566 -0.519 -6.525 1.00 62.40 H new ATOM 0 HB3 GLU A 414 -18.881 0.712 -7.567 1.00 62.40 H new ATOM 0 HG2 GLU A 414 -18.399 -2.067 -8.472 1.00 55.52 H new ATOM 0 HG3 GLU A 414 -20.087 -1.599 -8.430 1.00 55.52 H new ATOM 16 N ALA A 415 -17.333 1.603 -5.577 1.00 61.30 N ATOM 17 CA ALA A 415 -16.771 2.911 -5.263 1.00 30.10 C ATOM 18 C ALA A 415 -15.611 2.788 -4.281 1.00 24.45 C ATOM 19 O ALA A 415 -14.941 3.772 -3.968 1.00 52.25 O ATOM 20 CB ALA A 415 -17.846 3.827 -4.699 1.00 74.23 C ATOM 0 H ALA A 415 -18.215 1.399 -5.107 1.00 61.30 H new ATOM 0 HA ALA A 415 -16.388 3.345 -6.187 1.00 30.10 H new ATOM 0 HB1 ALA A 415 -17.411 4.800 -4.469 1.00 74.23 H new ATOM 0 HB2 ALA A 415 -18.642 3.949 -5.434 1.00 74.23 H new ATOM 0 HB3 ALA A 415 -18.256 3.389 -3.789 1.00 74.23 H new ATOM 26 N SER A 416 -15.378 1.572 -3.796 1.00 62.21 N ATOM 27 CA SER A 416 -14.301 1.321 -2.845 1.00 53.52 C ATOM 28 C SER A 416 -12.963 1.183 -3.564 1.00 72.53 C ATOM 29 O SER A 416 -11.902 1.368 -2.967 1.00 53.14 O ATOM 30 CB SER A 416 -14.592 0.056 -2.035 1.00 51.30 C ATOM 31 OG SER A 416 -15.922 -0.387 -2.240 1.00 63.10 O ATOM 0 H SER A 416 -15.921 0.745 -4.046 1.00 62.21 H new ATOM 0 HA SER A 416 -14.242 2.172 -2.167 1.00 53.52 H new ATOM 0 HB2 SER A 416 -13.895 -0.731 -2.322 1.00 51.30 H new ATOM 0 HB3 SER A 416 -14.431 0.254 -0.975 1.00 51.30 H new ATOM 0 HG SER A 416 -16.082 -1.197 -1.713 1.00 63.10 H new ATOM 37 N SER A 417 -13.021 0.854 -4.851 1.00 71.10 N ATOM 38 CA SER A 417 -11.814 0.686 -5.651 1.00 22.50 C ATOM 39 C SER A 417 -10.972 1.958 -5.640 1.00 51.21 C ATOM 40 O SER A 417 -9.742 1.903 -5.646 1.00 3.20 O ATOM 41 CB SER A 417 -12.179 0.316 -7.091 1.00 74.22 C ATOM 42 OG SER A 417 -13.305 -0.544 -7.127 1.00 11.41 O ATOM 0 H SER A 417 -13.890 0.699 -5.361 1.00 71.10 H new ATOM 0 HA SER A 417 -11.227 -0.121 -5.212 1.00 22.50 H new ATOM 0 HB2 SER A 417 -12.391 1.221 -7.660 1.00 74.22 H new ATOM 0 HB3 SER A 417 -11.330 -0.171 -7.571 1.00 74.22 H new ATOM 0 HG SER A 417 -14.125 -0.008 -7.152 1.00 11.41 H new ATOM 48 N THR A 418 -11.645 3.105 -5.622 1.00 65.41 N ATOM 49 CA THR A 418 -10.960 4.391 -5.610 1.00 43.13 C ATOM 50 C THR A 418 -10.461 4.736 -4.212 1.00 62.30 C ATOM 51 O THR A 418 -9.470 5.448 -4.055 1.00 64.13 O ATOM 52 CB THR A 418 -11.882 5.522 -6.107 1.00 5.14 C ATOM 53 OG1 THR A 418 -12.707 5.047 -7.176 1.00 55.31 O ATOM 54 CG2 THR A 418 -11.066 6.716 -6.582 1.00 31.22 C ATOM 0 H THR A 418 -12.663 3.169 -5.615 1.00 65.41 H new ATOM 0 HA THR A 418 -10.108 4.302 -6.284 1.00 43.13 H new ATOM 0 HB THR A 418 -12.512 5.839 -5.276 1.00 5.14 H new ATOM 0 HG1 THR A 418 -13.291 5.771 -7.485 1.00 55.31 H new ATOM 0 HG21 THR A 418 -11.738 7.501 -6.928 1.00 31.22 H new ATOM 0 HG22 THR A 418 -10.460 7.094 -5.758 1.00 31.22 H new ATOM 0 HG23 THR A 418 -10.415 6.409 -7.400 1.00 31.22 H new ATOM 62 N ALA A 419 -11.152 4.224 -3.199 1.00 52.22 N ATOM 63 CA ALA A 419 -10.777 4.475 -1.814 1.00 42.42 C ATOM 64 C ALA A 419 -9.363 3.979 -1.529 1.00 12.15 C ATOM 65 O ALA A 419 -8.650 4.547 -0.700 1.00 55.02 O ATOM 66 CB ALA A 419 -11.770 3.816 -0.869 1.00 34.13 C ATOM 0 H ALA A 419 -11.975 3.632 -3.312 1.00 52.22 H new ATOM 0 HA ALA A 419 -10.796 5.552 -1.649 1.00 42.42 H new ATOM 0 HB1 ALA A 419 -11.476 4.012 0.162 1.00 34.13 H new ATOM 0 HB2 ALA A 419 -12.766 4.222 -1.046 1.00 34.13 H new ATOM 0 HB3 ALA A 419 -11.780 2.740 -1.045 1.00 34.13 H new ATOM 72 N ILE A 420 -8.964 2.916 -2.221 1.00 0.51 N ATOM 73 CA ILE A 420 -7.635 2.344 -2.042 1.00 13.42 C ATOM 74 C ILE A 420 -6.583 3.151 -2.795 1.00 73.14 C ATOM 75 O ILE A 420 -5.387 3.027 -2.535 1.00 52.55 O ATOM 76 CB ILE A 420 -7.584 0.881 -2.518 1.00 61.55 C ATOM 77 CG1 ILE A 420 -8.763 0.093 -1.946 1.00 13.34 C ATOM 78 CG2 ILE A 420 -6.265 0.239 -2.118 1.00 14.34 C ATOM 79 CD1 ILE A 420 -8.816 0.100 -0.434 1.00 31.11 C ATOM 0 H ILE A 420 -9.542 2.434 -2.910 1.00 0.51 H new ATOM 0 HA ILE A 420 -7.418 2.377 -0.974 1.00 13.42 H new ATOM 0 HB ILE A 420 -7.657 0.866 -3.605 1.00 61.55 H new ATOM 0 HG12 ILE A 420 -9.692 0.509 -2.336 1.00 13.34 H new ATOM 0 HG13 ILE A 420 -8.704 -0.938 -2.295 1.00 13.34 H new ATOM 0 HG21 ILE A 420 -6.245 -0.795 -2.462 1.00 14.34 H new ATOM 0 HG22 ILE A 420 -5.440 0.789 -2.572 1.00 14.34 H new ATOM 0 HG23 ILE A 420 -6.163 0.263 -1.033 1.00 14.34 H new ATOM 0 HD11 ILE A 420 -9.677 -0.478 -0.097 1.00 31.11 H new ATOM 0 HD12 ILE A 420 -7.903 -0.343 -0.036 1.00 31.11 H new ATOM 0 HD13 ILE A 420 -8.906 1.126 -0.078 1.00 31.11 H new ATOM 91 N ARG A 421 -7.039 3.978 -3.731 1.00 40.23 N ATOM 92 CA ARG A 421 -6.137 4.806 -4.523 1.00 44.03 C ATOM 93 C ARG A 421 -5.263 5.673 -3.622 1.00 43.30 C ATOM 94 O ARG A 421 -4.167 6.080 -4.008 1.00 73.31 O ATOM 95 CB ARG A 421 -6.935 5.691 -5.483 1.00 24.13 C ATOM 96 CG ARG A 421 -6.068 6.433 -6.489 1.00 11.32 C ATOM 97 CD ARG A 421 -6.909 7.289 -7.423 1.00 52.21 C ATOM 98 NE ARG A 421 -6.083 8.087 -8.326 1.00 13.14 N ATOM 99 CZ ARG A 421 -5.390 9.151 -7.939 1.00 43.14 C ATOM 100 NH1 ARG A 421 -5.423 9.545 -6.674 1.00 54.14 N ATOM 101 NH2 ARG A 421 -4.662 9.826 -8.821 1.00 12.22 N ATOM 0 H ARG A 421 -8.027 4.092 -3.959 1.00 40.23 H new ATOM 0 HA ARG A 421 -5.490 4.146 -5.101 1.00 44.03 H new ATOM 0 HB2 ARG A 421 -7.654 5.073 -6.021 1.00 24.13 H new ATOM 0 HB3 ARG A 421 -7.508 6.416 -4.905 1.00 24.13 H new ATOM 0 HG2 ARG A 421 -5.353 7.064 -5.960 1.00 11.32 H new ATOM 0 HG3 ARG A 421 -5.490 5.716 -7.072 1.00 11.32 H new ATOM 0 HD2 ARG A 421 -7.569 6.648 -8.007 1.00 52.21 H new ATOM 0 HD3 ARG A 421 -7.546 7.950 -6.835 1.00 52.21 H new ATOM 0 HE ARG A 421 -6.036 7.812 -9.307 1.00 13.14 H new ATOM 0 HH11 ARG A 421 -5.982 9.030 -5.994 1.00 54.14 H new ATOM 0 HH12 ARG A 421 -4.889 10.363 -6.381 1.00 54.14 H new ATOM 0 HH21 ARG A 421 -4.635 9.527 -9.796 1.00 12.22 H new ATOM 0 HH22 ARG A 421 -4.130 10.644 -8.524 1.00 12.22 H new ATOM 115 N ALA A 422 -5.756 5.953 -2.419 1.00 31.50 N ATOM 116 CA ALA A 422 -5.019 6.770 -1.463 1.00 33.22 C ATOM 117 C ALA A 422 -4.193 5.901 -0.520 1.00 51.00 C ATOM 118 O ALA A 422 -3.192 6.352 0.038 1.00 31.54 O ATOM 119 CB ALA A 422 -5.977 7.648 -0.672 1.00 64.13 C ATOM 0 H ALA A 422 -6.662 5.626 -2.084 1.00 31.50 H new ATOM 0 HA ALA A 422 -4.333 7.409 -2.020 1.00 33.22 H new ATOM 0 HB1 ALA A 422 -5.414 8.253 0.038 1.00 64.13 H new ATOM 0 HB2 ALA A 422 -6.520 8.301 -1.355 1.00 64.13 H new ATOM 0 HB3 ALA A 422 -6.685 7.019 -0.132 1.00 64.13 H new ATOM 125 N LEU A 423 -4.620 4.655 -0.345 1.00 51.31 N ATOM 126 CA LEU A 423 -3.920 3.723 0.532 1.00 21.25 C ATOM 127 C LEU A 423 -2.451 3.604 0.138 1.00 10.43 C ATOM 128 O LEU A 423 -1.560 3.739 0.977 1.00 13.34 O ATOM 129 CB LEU A 423 -4.586 2.347 0.481 1.00 11.04 C ATOM 130 CG LEU A 423 -5.354 1.927 1.735 1.00 51.52 C ATOM 131 CD1 LEU A 423 -4.392 1.511 2.837 1.00 33.32 C ATOM 132 CD2 LEU A 423 -6.257 3.056 2.211 1.00 63.32 C ATOM 0 H LEU A 423 -5.447 4.267 -0.799 1.00 51.31 H new ATOM 0 HA LEU A 423 -3.974 4.109 1.550 1.00 21.25 H new ATOM 0 HB2 LEU A 423 -5.273 2.329 -0.365 1.00 11.04 H new ATOM 0 HB3 LEU A 423 -3.817 1.600 0.283 1.00 11.04 H new ATOM 0 HG LEU A 423 -5.979 1.070 1.484 1.00 51.52 H new ATOM 0 HD11 LEU A 423 -4.957 1.216 3.721 1.00 33.32 H new ATOM 0 HD12 LEU A 423 -3.788 0.671 2.495 1.00 33.32 H new ATOM 0 HD13 LEU A 423 -3.740 2.348 3.086 1.00 33.32 H new ATOM 0 HD21 LEU A 423 -6.796 2.739 3.104 1.00 63.32 H new ATOM 0 HD22 LEU A 423 -5.652 3.932 2.444 1.00 63.32 H new ATOM 0 HD23 LEU A 423 -6.971 3.306 1.426 1.00 63.32 H new ATOM 144 N VAL A 424 -2.205 3.353 -1.143 1.00 30.30 N ATOM 145 CA VAL A 424 -0.844 3.220 -1.649 1.00 12.44 C ATOM 146 C VAL A 424 -0.022 4.467 -1.348 1.00 64.54 C ATOM 147 O VAL A 424 1.209 4.422 -1.320 1.00 41.01 O ATOM 148 CB VAL A 424 -0.832 2.963 -3.167 1.00 73.42 C ATOM 149 CG1 VAL A 424 0.597 2.877 -3.683 1.00 50.10 C ATOM 150 CG2 VAL A 424 -1.604 1.695 -3.499 1.00 63.35 C ATOM 0 H VAL A 424 -2.931 3.237 -1.850 1.00 30.30 H new ATOM 0 HA VAL A 424 -0.399 2.364 -1.141 1.00 12.44 H new ATOM 0 HB VAL A 424 -1.323 3.800 -3.663 1.00 73.42 H new ATOM 0 HG11 VAL A 424 0.585 2.695 -4.758 1.00 50.10 H new ATOM 0 HG12 VAL A 424 1.114 3.814 -3.479 1.00 50.10 H new ATOM 0 HG13 VAL A 424 1.116 2.060 -3.182 1.00 50.10 H new ATOM 0 HG21 VAL A 424 -1.585 1.529 -4.576 1.00 63.35 H new ATOM 0 HG22 VAL A 424 -1.144 0.846 -2.993 1.00 63.35 H new ATOM 0 HG23 VAL A 424 -2.637 1.800 -3.166 1.00 63.35 H new ATOM 160 N LYS A 425 -0.708 5.582 -1.125 1.00 43.32 N ATOM 161 CA LYS A 425 -0.043 6.844 -0.824 1.00 43.32 C ATOM 162 C LYS A 425 0.368 6.908 0.643 1.00 13.42 C ATOM 163 O LYS A 425 1.346 7.567 0.998 1.00 72.22 O ATOM 164 CB LYS A 425 -0.963 8.022 -1.158 1.00 22.24 C ATOM 165 CG LYS A 425 -0.353 9.010 -2.138 1.00 3.50 C ATOM 166 CD LYS A 425 -0.360 8.466 -3.556 1.00 23.13 C ATOM 167 CE LYS A 425 -0.008 9.545 -4.569 1.00 31.14 C ATOM 168 NZ LYS A 425 -1.217 10.265 -5.055 1.00 43.03 N ATOM 0 H LYS A 425 -1.726 5.638 -1.147 1.00 43.32 H new ATOM 0 HA LYS A 425 0.856 6.906 -1.438 1.00 43.32 H new ATOM 0 HB2 LYS A 425 -1.895 7.638 -1.574 1.00 22.24 H new ATOM 0 HB3 LYS A 425 -1.217 8.546 -0.237 1.00 22.24 H new ATOM 0 HG2 LYS A 425 -0.909 9.947 -2.104 1.00 3.50 H new ATOM 0 HG3 LYS A 425 0.671 9.235 -1.839 1.00 3.50 H new ATOM 0 HD2 LYS A 425 0.352 7.645 -3.635 1.00 23.13 H new ATOM 0 HD3 LYS A 425 -1.344 8.057 -3.785 1.00 23.13 H new ATOM 0 HE2 LYS A 425 0.681 10.257 -4.116 1.00 31.14 H new ATOM 0 HE3 LYS A 425 0.510 9.094 -5.415 1.00 31.14 H new ATOM 0 HZ1 LYS A 425 -0.935 10.992 -5.743 1.00 43.03 H new ATOM 0 HZ2 LYS A 425 -1.864 9.590 -5.510 1.00 43.03 H new ATOM 0 HZ3 LYS A 425 -1.698 10.717 -4.252 1.00 43.03 H new ATOM 182 N LYS A 426 -0.384 6.217 1.493 1.00 1.24 N ATOM 183 CA LYS A 426 -0.097 6.191 2.923 1.00 41.30 C ATOM 184 C LYS A 426 1.275 5.581 3.191 1.00 15.33 C ATOM 185 O LYS A 426 1.968 5.975 4.131 1.00 30.31 O ATOM 186 CB LYS A 426 -1.174 5.397 3.666 1.00 63.24 C ATOM 187 CG LYS A 426 -1.869 6.192 4.758 1.00 74.13 C ATOM 188 CD LYS A 426 -2.772 5.307 5.603 1.00 62.33 C ATOM 189 CE LYS A 426 -4.063 6.021 5.973 1.00 14.01 C ATOM 190 NZ LYS A 426 -4.983 5.138 6.741 1.00 13.31 N ATOM 0 H LYS A 426 -1.197 5.667 1.216 1.00 1.24 H new ATOM 0 HA LYS A 426 -0.096 7.218 3.287 1.00 41.30 H new ATOM 0 HB2 LYS A 426 -1.919 5.052 2.949 1.00 63.24 H new ATOM 0 HB3 LYS A 426 -0.720 4.509 4.107 1.00 63.24 H new ATOM 0 HG2 LYS A 426 -1.123 6.666 5.395 1.00 74.13 H new ATOM 0 HG3 LYS A 426 -2.458 6.991 4.309 1.00 74.13 H new ATOM 0 HD2 LYS A 426 -3.004 4.394 5.055 1.00 62.33 H new ATOM 0 HD3 LYS A 426 -2.246 5.010 6.510 1.00 62.33 H new ATOM 0 HE2 LYS A 426 -3.832 6.907 6.564 1.00 14.01 H new ATOM 0 HE3 LYS A 426 -4.561 6.364 5.066 1.00 14.01 H new ATOM 0 HZ1 LYS A 426 -5.851 5.661 6.975 1.00 13.31 H new ATOM 0 HZ2 LYS A 426 -5.224 4.305 6.167 1.00 13.31 H new ATOM 0 HZ3 LYS A 426 -4.517 4.831 7.619 1.00 13.31 H new ATOM 204 N LEU A 427 1.661 4.618 2.362 1.00 25.23 N ATOM 205 CA LEU A 427 2.953 3.954 2.509 1.00 52.12 C ATOM 206 C LEU A 427 4.084 4.849 2.015 1.00 22.33 C ATOM 207 O LEU A 427 4.978 5.215 2.780 1.00 31.01 O ATOM 208 CB LEU A 427 2.959 2.633 1.738 1.00 14.42 C ATOM 209 CG LEU A 427 1.929 1.592 2.181 1.00 51.34 C ATOM 210 CD1 LEU A 427 1.825 1.556 3.699 1.00 70.51 C ATOM 211 CD2 LEU A 427 0.572 1.888 1.559 1.00 11.10 C ATOM 0 H LEU A 427 1.099 4.279 1.581 1.00 25.23 H new ATOM 0 HA LEU A 427 3.112 3.751 3.568 1.00 52.12 H new ATOM 0 HB2 LEU A 427 2.795 2.851 0.683 1.00 14.42 H new ATOM 0 HB3 LEU A 427 3.952 2.191 1.822 1.00 14.42 H new ATOM 0 HG LEU A 427 2.259 0.612 1.837 1.00 51.34 H new ATOM 0 HD11 LEU A 427 1.088 0.810 3.996 1.00 70.51 H new ATOM 0 HD12 LEU A 427 2.795 1.297 4.124 1.00 70.51 H new ATOM 0 HD13 LEU A 427 1.518 2.535 4.066 1.00 70.51 H new ATOM 0 HD21 LEU A 427 -0.149 1.138 1.885 1.00 11.10 H new ATOM 0 HD22 LEU A 427 0.235 2.876 1.874 1.00 11.10 H new ATOM 0 HD23 LEU A 427 0.656 1.863 0.473 1.00 11.10 H new ATOM 223 N ILE A 428 4.039 5.200 0.735 1.00 41.02 N ATOM 224 CA ILE A 428 5.059 6.055 0.140 1.00 1.05 C ATOM 225 C ILE A 428 5.105 7.415 0.828 1.00 64.21 C ATOM 226 O ILE A 428 6.094 8.141 0.725 1.00 54.41 O ATOM 227 CB ILE A 428 4.813 6.262 -1.366 1.00 10.33 C ATOM 228 CG1 ILE A 428 4.700 4.912 -2.077 1.00 23.25 C ATOM 229 CG2 ILE A 428 5.929 7.097 -1.976 1.00 12.42 C ATOM 230 CD1 ILE A 428 4.249 5.022 -3.516 1.00 2.03 C ATOM 0 H ILE A 428 3.307 4.905 0.089 1.00 41.02 H new ATOM 0 HA ILE A 428 6.014 5.548 0.277 1.00 1.05 H new ATOM 0 HB ILE A 428 3.873 6.799 -1.495 1.00 10.33 H new ATOM 0 HG12 ILE A 428 5.668 4.412 -2.046 1.00 23.25 H new ATOM 0 HG13 ILE A 428 3.998 4.281 -1.532 1.00 23.25 H new ATOM 0 HG21 ILE A 428 5.740 7.234 -3.041 1.00 12.42 H new ATOM 0 HG22 ILE A 428 5.965 8.070 -1.486 1.00 12.42 H new ATOM 0 HG23 ILE A 428 6.882 6.586 -1.839 1.00 12.42 H new ATOM 0 HD11 ILE A 428 4.191 4.027 -3.956 1.00 2.03 H new ATOM 0 HD12 ILE A 428 3.267 5.493 -3.554 1.00 2.03 H new ATOM 0 HD13 ILE A 428 4.963 5.626 -4.076 1.00 2.03 H new ATOM 242 N ALA A 429 4.029 7.753 1.532 1.00 64.45 N ATOM 243 CA ALA A 429 3.949 9.024 2.240 1.00 54.11 C ATOM 244 C ALA A 429 5.169 9.235 3.131 1.00 63.44 C ATOM 245 O ALA A 429 5.582 10.369 3.375 1.00 75.33 O ATOM 246 CB ALA A 429 2.673 9.087 3.068 1.00 60.50 C ATOM 0 H ALA A 429 3.202 7.164 1.627 1.00 64.45 H new ATOM 0 HA ALA A 429 3.930 9.823 1.499 1.00 54.11 H new ATOM 0 HB1 ALA A 429 2.626 10.042 3.592 1.00 60.50 H new ATOM 0 HB2 ALA A 429 1.808 8.990 2.412 1.00 60.50 H new ATOM 0 HB3 ALA A 429 2.670 8.274 3.794 1.00 60.50 H new ATOM 252 N ALA A 430 5.741 8.137 3.612 1.00 44.04 N ATOM 253 CA ALA A 430 6.915 8.203 4.474 1.00 74.13 C ATOM 254 C ALA A 430 7.786 6.962 4.310 1.00 63.54 C ATOM 255 O ALA A 430 7.926 6.163 5.235 1.00 51.24 O ATOM 256 CB ALA A 430 6.495 8.365 5.927 1.00 70.25 C ATOM 0 H ALA A 430 5.411 7.191 3.420 1.00 44.04 H new ATOM 0 HA ALA A 430 7.504 9.071 4.178 1.00 74.13 H new ATOM 0 HB1 ALA A 430 7.382 8.413 6.559 1.00 70.25 H new ATOM 0 HB2 ALA A 430 5.920 9.284 6.039 1.00 70.25 H new ATOM 0 HB3 ALA A 430 5.882 7.514 6.226 1.00 70.25 H new ATOM 262 N GLU A 431 8.371 6.808 3.125 1.00 1.42 N ATOM 263 CA GLU A 431 9.228 5.663 2.841 1.00 53.12 C ATOM 264 C GLU A 431 10.423 6.077 1.988 1.00 21.51 C ATOM 265 O GLU A 431 10.336 7.006 1.187 1.00 5.13 O ATOM 266 CB GLU A 431 8.433 4.568 2.126 1.00 53.32 C ATOM 267 CG GLU A 431 7.475 3.818 3.038 1.00 70.43 C ATOM 268 CD GLU A 431 8.060 2.520 3.558 1.00 21.24 C ATOM 269 OE1 GLU A 431 8.567 1.727 2.736 1.00 5.23 O ATOM 270 OE2 GLU A 431 8.012 2.296 4.785 1.00 0.03 O ATOM 0 H GLU A 431 8.267 7.461 2.348 1.00 1.42 H new ATOM 0 HA GLU A 431 9.597 5.274 3.790 1.00 53.12 H new ATOM 0 HB2 GLU A 431 7.868 5.016 1.309 1.00 53.32 H new ATOM 0 HB3 GLU A 431 9.129 3.857 1.681 1.00 53.32 H new ATOM 0 HG2 GLU A 431 7.208 4.455 3.881 1.00 70.43 H new ATOM 0 HG3 GLU A 431 6.554 3.605 2.495 1.00 70.43 H new ATOM 277 N ASN A 432 11.541 5.379 2.168 1.00 54.43 N ATOM 278 CA ASN A 432 12.755 5.675 1.416 1.00 34.25 C ATOM 279 C ASN A 432 13.174 4.478 0.567 1.00 41.31 C ATOM 280 O ASN A 432 14.206 3.849 0.802 1.00 1.12 O ATOM 281 CB ASN A 432 13.890 6.059 2.369 1.00 55.44 C ATOM 282 CG ASN A 432 14.929 6.942 1.705 1.00 55.50 C ATOM 283 OD1 ASN A 432 14.647 7.611 0.711 1.00 54.31 O ATOM 284 ND2 ASN A 432 16.137 6.947 2.253 1.00 23.42 N ATOM 0 H ASN A 432 11.631 4.606 2.827 1.00 54.43 H new ATOM 0 HA ASN A 432 12.546 6.514 0.753 1.00 34.25 H new ATOM 0 HB2 ASN A 432 13.475 6.578 3.233 1.00 55.44 H new ATOM 0 HB3 ASN A 432 14.370 5.154 2.741 1.00 55.44 H new ATOM 0 HD21 ASN A 432 16.877 7.522 1.850 1.00 23.42 H new ATOM 0 HD22 ASN A 432 16.326 6.376 3.077 1.00 23.42 H new ATOM 291 N PRO A 433 12.355 4.155 -0.445 1.00 2.34 N ATOM 292 CA PRO A 433 12.620 3.033 -1.350 1.00 63.51 C ATOM 293 C PRO A 433 13.810 3.297 -2.268 1.00 51.42 C ATOM 294 O PRO A 433 14.174 2.452 -3.085 1.00 61.03 O ATOM 295 CB PRO A 433 11.330 2.923 -2.166 1.00 41.32 C ATOM 296 CG PRO A 433 10.738 4.290 -2.125 1.00 53.40 C ATOM 297 CD PRO A 433 11.108 4.862 -0.783 1.00 34.43 C ATOM 0 HA PRO A 433 12.876 2.123 -0.807 1.00 63.51 H new ATOM 0 HB2 PRO A 433 11.535 2.611 -3.190 1.00 41.32 H new ATOM 0 HB3 PRO A 433 10.652 2.185 -1.737 1.00 41.32 H new ATOM 0 HG2 PRO A 433 11.128 4.908 -2.934 1.00 53.40 H new ATOM 0 HG3 PRO A 433 9.656 4.250 -2.247 1.00 53.40 H new ATOM 0 HD2 PRO A 433 11.258 5.940 -0.833 1.00 34.43 H new ATOM 0 HD3 PRO A 433 10.330 4.682 -0.041 1.00 34.43 H new ATOM 305 N ALA A 434 14.411 4.474 -2.125 1.00 35.34 N ATOM 306 CA ALA A 434 15.561 4.847 -2.940 1.00 14.43 C ATOM 307 C ALA A 434 16.618 3.746 -2.935 1.00 73.05 C ATOM 308 O ALA A 434 16.859 3.099 -3.954 1.00 11.04 O ATOM 309 CB ALA A 434 16.157 6.155 -2.442 1.00 63.02 C ATOM 0 H ALA A 434 14.121 5.185 -1.453 1.00 35.34 H new ATOM 0 HA ALA A 434 15.220 4.982 -3.966 1.00 14.43 H new ATOM 0 HB1 ALA A 434 17.015 6.422 -3.059 1.00 63.02 H new ATOM 0 HB2 ALA A 434 15.407 6.943 -2.503 1.00 63.02 H new ATOM 0 HB3 ALA A 434 16.477 6.038 -1.407 1.00 63.02 H new ATOM 315 N LYS A 435 17.245 3.540 -1.782 1.00 62.24 N ATOM 316 CA LYS A 435 18.276 2.518 -1.643 1.00 73.15 C ATOM 317 C LYS A 435 17.654 1.128 -1.553 1.00 73.42 C ATOM 318 O LYS A 435 17.894 0.259 -2.392 1.00 74.33 O ATOM 319 CB LYS A 435 19.128 2.789 -0.402 1.00 52.22 C ATOM 320 CG LYS A 435 20.480 3.404 -0.715 1.00 62.31 C ATOM 321 CD LYS A 435 21.453 3.229 0.439 1.00 4.31 C ATOM 322 CE LYS A 435 21.037 4.053 1.648 1.00 14.02 C ATOM 323 NZ LYS A 435 22.205 4.701 2.306 1.00 12.33 N ATOM 0 H LYS A 435 17.057 4.068 -0.930 1.00 62.24 H new ATOM 0 HA LYS A 435 18.912 2.556 -2.527 1.00 73.15 H new ATOM 0 HB2 LYS A 435 18.581 3.455 0.265 1.00 52.22 H new ATOM 0 HB3 LYS A 435 19.280 1.853 0.136 1.00 52.22 H new ATOM 0 HG2 LYS A 435 20.892 2.942 -1.612 1.00 62.31 H new ATOM 0 HG3 LYS A 435 20.357 4.465 -0.930 1.00 62.31 H new ATOM 0 HD2 LYS A 435 21.506 2.176 0.716 1.00 4.31 H new ATOM 0 HD3 LYS A 435 22.453 3.526 0.122 1.00 4.31 H new ATOM 0 HE2 LYS A 435 20.324 4.817 1.339 1.00 14.02 H new ATOM 0 HE3 LYS A 435 20.525 3.412 2.366 1.00 14.02 H new ATOM 0 HZ1 LYS A 435 21.880 5.253 3.125 1.00 12.33 H new ATOM 0 HZ2 LYS A 435 22.874 3.971 2.624 1.00 12.33 H new ATOM 0 HZ3 LYS A 435 22.679 5.333 1.629 1.00 12.33 H new ATOM 337 N PRO A 436 16.836 0.911 -0.514 1.00 54.25 N ATOM 338 CA PRO A 436 16.161 -0.372 -0.291 1.00 22.13 C ATOM 339 C PRO A 436 15.077 -0.645 -1.328 1.00 43.24 C ATOM 340 O PRO A 436 14.813 0.186 -2.199 1.00 30.03 O ATOM 341 CB PRO A 436 15.543 -0.211 1.100 1.00 52.01 C ATOM 342 CG PRO A 436 15.365 1.259 1.267 1.00 14.35 C ATOM 343 CD PRO A 436 16.504 1.901 0.525 1.00 71.23 C ATOM 0 HA PRO A 436 16.849 -1.214 -0.372 1.00 22.13 H new ATOM 0 HB2 PRO A 436 14.591 -0.736 1.173 1.00 52.01 H new ATOM 0 HB3 PRO A 436 16.194 -0.621 1.872 1.00 52.01 H new ATOM 0 HG2 PRO A 436 14.405 1.584 0.865 1.00 14.35 H new ATOM 0 HG3 PRO A 436 15.380 1.537 2.321 1.00 14.35 H new ATOM 0 HD2 PRO A 436 16.212 2.857 0.090 1.00 71.23 H new ATOM 0 HD3 PRO A 436 17.353 2.095 1.181 1.00 71.23 H new ATOM 351 N LEU A 437 14.450 -1.812 -1.229 1.00 10.13 N ATOM 352 CA LEU A 437 13.393 -2.194 -2.158 1.00 31.51 C ATOM 353 C LEU A 437 12.020 -1.842 -1.595 1.00 54.04 C ATOM 354 O LEU A 437 11.616 -2.356 -0.552 1.00 43.22 O ATOM 355 CB LEU A 437 13.466 -3.693 -2.456 1.00 62.25 C ATOM 356 CG LEU A 437 14.414 -4.107 -3.583 1.00 2.54 C ATOM 357 CD1 LEU A 437 15.548 -4.962 -3.038 1.00 15.43 C ATOM 358 CD2 LEU A 437 13.656 -4.853 -4.670 1.00 74.41 C ATOM 0 H LEU A 437 14.656 -2.510 -0.514 1.00 10.13 H new ATOM 0 HA LEU A 437 13.539 -1.638 -3.084 1.00 31.51 H new ATOM 0 HB2 LEU A 437 13.768 -4.210 -1.545 1.00 62.25 H new ATOM 0 HB3 LEU A 437 12.464 -4.043 -2.704 1.00 62.25 H new ATOM 0 HG LEU A 437 14.843 -3.206 -4.021 1.00 2.54 H new ATOM 0 HD11 LEU A 437 16.213 -5.248 -3.853 1.00 15.43 H new ATOM 0 HD12 LEU A 437 16.108 -4.393 -2.296 1.00 15.43 H new ATOM 0 HD13 LEU A 437 15.137 -5.859 -2.574 1.00 15.43 H new ATOM 0 HD21 LEU A 437 14.346 -5.140 -5.463 1.00 74.41 H new ATOM 0 HD22 LEU A 437 13.198 -5.747 -4.246 1.00 74.41 H new ATOM 0 HD23 LEU A 437 12.879 -4.208 -5.080 1.00 74.41 H new ATOM 370 N SER A 438 11.306 -0.966 -2.295 1.00 63.02 N ATOM 371 CA SER A 438 9.978 -0.544 -1.864 1.00 11.33 C ATOM 372 C SER A 438 9.087 -1.752 -1.591 1.00 61.04 C ATOM 373 O SER A 438 9.426 -2.880 -1.947 1.00 31.22 O ATOM 374 CB SER A 438 9.334 0.350 -2.926 1.00 2.12 C ATOM 375 OG SER A 438 10.234 0.608 -3.989 1.00 60.11 O ATOM 0 H SER A 438 11.625 -0.535 -3.163 1.00 63.02 H new ATOM 0 HA SER A 438 10.086 0.023 -0.939 1.00 11.33 H new ATOM 0 HB2 SER A 438 8.436 -0.130 -3.314 1.00 2.12 H new ATOM 0 HB3 SER A 438 9.022 1.291 -2.473 1.00 2.12 H new ATOM 0 HG SER A 438 10.323 -0.195 -4.544 1.00 60.11 H new ATOM 381 N ASP A 439 7.945 -1.505 -0.959 1.00 32.44 N ATOM 382 CA ASP A 439 7.003 -2.571 -0.638 1.00 71.53 C ATOM 383 C ASP A 439 7.610 -3.552 0.359 1.00 33.32 C ATOM 384 O ASP A 439 7.087 -4.647 0.566 1.00 72.10 O ATOM 385 CB ASP A 439 6.585 -3.311 -1.911 1.00 34.15 C ATOM 386 CG ASP A 439 6.600 -2.415 -3.134 1.00 1.25 C ATOM 387 OD1 ASP A 439 6.156 -1.252 -3.023 1.00 71.53 O ATOM 388 OD2 ASP A 439 7.058 -2.875 -4.200 1.00 41.44 O ATOM 0 H ASP A 439 7.649 -0.576 -0.659 1.00 32.44 H new ATOM 0 HA ASP A 439 6.122 -2.119 -0.183 1.00 71.53 H new ATOM 0 HB2 ASP A 439 7.256 -4.154 -2.074 1.00 34.15 H new ATOM 0 HB3 ASP A 439 5.584 -3.721 -1.777 1.00 34.15 H new ATOM 393 N SER A 440 8.719 -3.153 0.973 1.00 32.01 N ATOM 394 CA SER A 440 9.402 -3.999 1.946 1.00 52.34 C ATOM 395 C SER A 440 9.504 -3.299 3.297 1.00 3.45 C ATOM 396 O SER A 440 9.546 -3.946 4.344 1.00 23.14 O ATOM 397 CB SER A 440 10.797 -4.368 1.442 1.00 22.11 C ATOM 398 OG SER A 440 10.759 -4.774 0.084 1.00 3.32 O ATOM 0 H SER A 440 9.164 -2.249 0.814 1.00 32.01 H new ATOM 0 HA SER A 440 8.817 -4.910 2.073 1.00 52.34 H new ATOM 0 HB2 SER A 440 11.464 -3.513 1.550 1.00 22.11 H new ATOM 0 HB3 SER A 440 11.207 -5.172 2.054 1.00 22.11 H new ATOM 0 HG SER A 440 10.923 -4.000 -0.494 1.00 3.32 H new ATOM 404 N LYS A 441 9.545 -1.971 3.267 1.00 35.15 N ATOM 405 CA LYS A 441 9.643 -1.180 4.488 1.00 50.42 C ATOM 406 C LYS A 441 8.256 -0.838 5.027 1.00 64.22 C ATOM 407 O LYS A 441 7.966 -1.055 6.203 1.00 11.04 O ATOM 408 CB LYS A 441 10.431 0.105 4.225 1.00 10.41 C ATOM 409 CG LYS A 441 11.790 0.133 4.901 1.00 25.54 C ATOM 410 CD LYS A 441 12.877 -0.412 3.989 1.00 60.34 C ATOM 411 CE LYS A 441 13.599 -1.590 4.624 1.00 1.14 C ATOM 412 NZ LYS A 441 14.402 -1.176 5.808 1.00 2.40 N ATOM 0 H LYS A 441 9.512 -1.420 2.409 1.00 35.15 H new ATOM 0 HA LYS A 441 10.168 -1.774 5.236 1.00 50.42 H new ATOM 0 HB2 LYS A 441 10.567 0.225 3.150 1.00 10.41 H new ATOM 0 HB3 LYS A 441 9.845 0.957 4.569 1.00 10.41 H new ATOM 0 HG2 LYS A 441 12.034 1.156 5.188 1.00 25.54 H new ATOM 0 HG3 LYS A 441 11.754 -0.456 5.818 1.00 25.54 H new ATOM 0 HD2 LYS A 441 12.437 -0.722 3.041 1.00 60.34 H new ATOM 0 HD3 LYS A 441 13.594 0.377 3.764 1.00 60.34 H new ATOM 0 HE2 LYS A 441 12.871 -2.343 4.925 1.00 1.14 H new ATOM 0 HE3 LYS A 441 14.253 -2.055 3.887 1.00 1.14 H new ATOM 0 HZ1 LYS A 441 14.879 -2.007 6.212 1.00 2.40 H new ATOM 0 HZ2 LYS A 441 15.114 -0.476 5.517 1.00 2.40 H new ATOM 0 HZ3 LYS A 441 13.775 -0.755 6.523 1.00 2.40 H new ATOM 426 N LEU A 442 7.405 -0.304 4.158 1.00 31.33 N ATOM 427 CA LEU A 442 6.048 0.067 4.546 1.00 35.52 C ATOM 428 C LEU A 442 5.336 -1.103 5.221 1.00 42.12 C ATOM 429 O LEU A 442 4.628 -0.925 6.213 1.00 24.21 O ATOM 430 CB LEU A 442 5.253 0.524 3.322 1.00 22.41 C ATOM 431 CG LEU A 442 5.359 -0.365 2.083 1.00 64.55 C ATOM 432 CD1 LEU A 442 4.102 -1.206 1.920 1.00 22.24 C ATOM 433 CD2 LEU A 442 5.601 0.479 0.840 1.00 65.05 C ATOM 0 H LEU A 442 7.630 -0.118 3.181 1.00 31.33 H new ATOM 0 HA LEU A 442 6.112 0.890 5.258 1.00 35.52 H new ATOM 0 HB2 LEU A 442 4.202 0.598 3.603 1.00 22.41 H new ATOM 0 HB3 LEU A 442 5.582 1.528 3.054 1.00 22.41 H new ATOM 0 HG LEU A 442 6.207 -1.037 2.214 1.00 64.55 H new ATOM 0 HD11 LEU A 442 4.196 -1.832 1.033 1.00 22.24 H new ATOM 0 HD12 LEU A 442 3.971 -1.838 2.798 1.00 22.24 H new ATOM 0 HD13 LEU A 442 3.237 -0.551 1.812 1.00 22.24 H new ATOM 0 HD21 LEU A 442 5.674 -0.171 -0.032 1.00 65.05 H new ATOM 0 HD22 LEU A 442 4.773 1.175 0.706 1.00 65.05 H new ATOM 0 HD23 LEU A 442 6.530 1.038 0.955 1.00 65.05 H new ATOM 445 N THR A 443 5.530 -2.300 4.677 1.00 34.33 N ATOM 446 CA THR A 443 4.908 -3.499 5.226 1.00 63.40 C ATOM 447 C THR A 443 5.468 -3.825 6.606 1.00 53.02 C ATOM 448 O THR A 443 4.791 -4.441 7.430 1.00 31.32 O ATOM 449 CB THR A 443 5.114 -4.713 4.300 1.00 4.21 C ATOM 450 OG1 THR A 443 5.971 -4.358 3.209 1.00 12.42 O ATOM 451 CG2 THR A 443 3.782 -5.215 3.763 1.00 23.43 C ATOM 0 H THR A 443 6.113 -2.465 3.857 1.00 34.33 H new ATOM 0 HA THR A 443 3.841 -3.293 5.309 1.00 63.40 H new ATOM 0 HB THR A 443 5.578 -5.510 4.880 1.00 4.21 H new ATOM 0 HG1 THR A 443 5.844 -4.992 2.473 1.00 12.42 H new ATOM 0 HG21 THR A 443 3.952 -6.072 3.112 1.00 23.43 H new ATOM 0 HG22 THR A 443 3.143 -5.512 4.595 1.00 23.43 H new ATOM 0 HG23 THR A 443 3.295 -4.421 3.197 1.00 23.43 H new ATOM 459 N SER A 444 6.705 -3.408 6.852 1.00 20.10 N ATOM 460 CA SER A 444 7.356 -3.659 8.132 1.00 2.12 C ATOM 461 C SER A 444 6.628 -2.939 9.263 1.00 63.15 C ATOM 462 O SER A 444 6.233 -3.554 10.254 1.00 55.12 O ATOM 463 CB SER A 444 8.817 -3.208 8.083 1.00 23.50 C ATOM 464 OG SER A 444 9.478 -3.745 6.950 1.00 21.31 O ATOM 0 H SER A 444 7.277 -2.895 6.182 1.00 20.10 H new ATOM 0 HA SER A 444 7.320 -4.731 8.325 1.00 2.12 H new ATOM 0 HB2 SER A 444 8.864 -2.119 8.054 1.00 23.50 H new ATOM 0 HB3 SER A 444 9.330 -3.525 8.991 1.00 23.50 H new ATOM 0 HG SER A 444 9.092 -3.362 6.134 1.00 21.31 H new ATOM 470 N LEU A 445 6.455 -1.631 9.107 1.00 11.20 N ATOM 471 CA LEU A 445 5.774 -0.824 10.114 1.00 73.14 C ATOM 472 C LEU A 445 4.378 -1.371 10.398 1.00 32.43 C ATOM 473 O LEU A 445 3.868 -1.252 11.512 1.00 31.03 O ATOM 474 CB LEU A 445 5.679 0.630 9.652 1.00 42.43 C ATOM 475 CG LEU A 445 6.623 1.617 10.341 1.00 1.32 C ATOM 476 CD1 LEU A 445 6.941 2.784 9.421 1.00 22.51 C ATOM 477 CD2 LEU A 445 6.014 2.114 11.645 1.00 5.33 C ATOM 0 H LEU A 445 6.777 -1.107 8.293 1.00 11.20 H new ATOM 0 HA LEU A 445 6.356 -0.869 11.034 1.00 73.14 H new ATOM 0 HB2 LEU A 445 5.871 0.663 8.580 1.00 42.43 H new ATOM 0 HB3 LEU A 445 4.655 0.972 9.803 1.00 42.43 H new ATOM 0 HG LEU A 445 7.554 1.099 10.571 1.00 1.32 H new ATOM 0 HD11 LEU A 445 7.614 3.475 9.929 1.00 22.51 H new ATOM 0 HD12 LEU A 445 7.419 2.413 8.514 1.00 22.51 H new ATOM 0 HD13 LEU A 445 6.019 3.302 9.159 1.00 22.51 H new ATOM 0 HD21 LEU A 445 6.699 2.815 12.122 1.00 5.33 H new ATOM 0 HD22 LEU A 445 5.068 2.615 11.437 1.00 5.33 H new ATOM 0 HD23 LEU A 445 5.839 1.268 12.310 1.00 5.33 H new ATOM 489 N LEU A 446 3.768 -1.974 9.383 1.00 53.30 N ATOM 490 CA LEU A 446 2.431 -2.542 9.524 1.00 4.42 C ATOM 491 C LEU A 446 2.489 -3.906 10.206 1.00 41.45 C ATOM 492 O LEU A 446 1.651 -4.224 11.049 1.00 13.12 O ATOM 493 CB LEU A 446 1.764 -2.672 8.153 1.00 13.12 C ATOM 494 CG LEU A 446 0.745 -1.588 7.798 1.00 35.55 C ATOM 495 CD1 LEU A 446 0.148 -1.848 6.423 1.00 24.13 C ATOM 496 CD2 LEU A 446 -0.350 -1.522 8.852 1.00 51.04 C ATOM 0 H LEU A 446 4.177 -2.082 8.455 1.00 53.30 H new ATOM 0 HA LEU A 446 1.840 -1.870 10.146 1.00 4.42 H new ATOM 0 HB2 LEU A 446 2.543 -2.674 7.391 1.00 13.12 H new ATOM 0 HB3 LEU A 446 1.267 -3.641 8.103 1.00 13.12 H new ATOM 0 HG LEU A 446 1.258 -0.626 7.774 1.00 35.55 H new ATOM 0 HD11 LEU A 446 -0.575 -1.067 6.187 1.00 24.13 H new ATOM 0 HD12 LEU A 446 0.941 -1.846 5.676 1.00 24.13 H new ATOM 0 HD13 LEU A 446 -0.351 -2.817 6.420 1.00 24.13 H new ATOM 0 HD21 LEU A 446 -1.067 -0.746 8.584 1.00 51.04 H new ATOM 0 HD22 LEU A 446 -0.860 -2.484 8.907 1.00 51.04 H new ATOM 0 HD23 LEU A 446 0.091 -1.289 9.821 1.00 51.04 H new ATOM 508 N SER A 447 3.483 -4.705 9.836 1.00 24.23 N ATOM 509 CA SER A 447 3.650 -6.036 10.410 1.00 42.42 C ATOM 510 C SER A 447 4.165 -5.948 11.844 1.00 64.23 C ATOM 511 O SER A 447 4.149 -6.932 12.581 1.00 0.21 O ATOM 512 CB SER A 447 4.613 -6.864 9.559 1.00 14.22 C ATOM 513 OG SER A 447 4.644 -8.213 9.993 1.00 0.03 O ATOM 0 H SER A 447 4.186 -4.455 9.141 1.00 24.23 H new ATOM 0 HA SER A 447 2.676 -6.525 10.422 1.00 42.42 H new ATOM 0 HB2 SER A 447 4.308 -6.822 8.513 1.00 14.22 H new ATOM 0 HB3 SER A 447 5.614 -6.437 9.617 1.00 14.22 H new ATOM 0 HG SER A 447 4.403 -8.257 10.942 1.00 0.03 H new ATOM 519 N GLU A 448 4.622 -4.760 12.230 1.00 70.21 N ATOM 520 CA GLU A 448 5.144 -4.544 13.574 1.00 52.54 C ATOM 521 C GLU A 448 4.101 -4.910 14.627 1.00 44.01 C ATOM 522 O GLU A 448 4.440 -5.214 15.770 1.00 24.33 O ATOM 523 CB GLU A 448 5.572 -3.085 13.749 1.00 13.52 C ATOM 524 CG GLU A 448 6.995 -2.810 13.294 1.00 70.54 C ATOM 525 CD GLU A 448 8.028 -3.222 14.324 1.00 21.32 C ATOM 526 OE1 GLU A 448 8.014 -2.658 15.438 1.00 32.44 O ATOM 527 OE2 GLU A 448 8.851 -4.110 14.016 1.00 61.52 O ATOM 0 H GLU A 448 4.641 -3.934 11.632 1.00 70.21 H new ATOM 0 HA GLU A 448 6.013 -5.189 13.708 1.00 52.54 H new ATOM 0 HB2 GLU A 448 4.890 -2.445 13.189 1.00 13.52 H new ATOM 0 HB3 GLU A 448 5.476 -2.810 14.799 1.00 13.52 H new ATOM 0 HG2 GLU A 448 7.184 -3.344 12.362 1.00 70.54 H new ATOM 0 HG3 GLU A 448 7.105 -1.747 13.080 1.00 70.54 H new ATOM 534 N GLN A 449 2.832 -4.876 14.232 1.00 4.31 N ATOM 535 CA GLN A 449 1.741 -5.203 15.143 1.00 70.53 C ATOM 536 C GLN A 449 1.058 -6.502 14.729 1.00 20.21 C ATOM 537 O GLN A 449 0.642 -7.293 15.575 1.00 72.34 O ATOM 538 CB GLN A 449 0.719 -4.064 15.177 1.00 21.22 C ATOM 539 CG GLN A 449 1.118 -2.863 14.335 1.00 22.23 C ATOM 540 CD GLN A 449 0.194 -1.679 14.534 1.00 44.41 C ATOM 541 OE1 GLN A 449 -0.488 -1.572 15.554 1.00 22.22 O ATOM 542 NE2 GLN A 449 0.167 -0.779 13.558 1.00 54.04 N ATOM 0 H GLN A 449 2.534 -4.626 13.289 1.00 4.31 H new ATOM 0 HA GLN A 449 2.160 -5.336 16.140 1.00 70.53 H new ATOM 0 HB2 GLN A 449 -0.243 -4.439 14.827 1.00 21.22 H new ATOM 0 HB3 GLN A 449 0.579 -3.743 16.209 1.00 21.22 H new ATOM 0 HG2 GLN A 449 2.137 -2.570 14.587 1.00 22.23 H new ATOM 0 HG3 GLN A 449 1.118 -3.146 13.282 1.00 22.23 H new ATOM 0 HE21 GLN A 449 0.749 -0.907 12.730 1.00 54.04 H new ATOM 0 HE22 GLN A 449 -0.435 0.040 13.636 1.00 54.04 H new ATOM 551 N GLY A 450 0.946 -6.717 13.421 1.00 51.13 N ATOM 552 CA GLY A 450 0.312 -7.921 12.918 1.00 12.40 C ATOM 553 C GLY A 450 -0.245 -7.743 11.520 1.00 3.33 C ATOM 554 O GLY A 450 -0.499 -8.722 10.817 1.00 54.23 O ATOM 0 H GLY A 450 1.283 -6.078 12.701 1.00 51.13 H new ATOM 0 HA2 GLY A 450 1.036 -8.735 12.916 1.00 12.40 H new ATOM 0 HA3 GLY A 450 -0.493 -8.212 13.592 1.00 12.40 H new ATOM 558 N ILE A 451 -0.435 -6.492 11.116 1.00 74.10 N ATOM 559 CA ILE A 451 -0.965 -6.190 9.792 1.00 54.03 C ATOM 560 C ILE A 451 -0.127 -6.846 8.701 1.00 42.00 C ATOM 561 O ILE A 451 1.077 -7.040 8.862 1.00 5.11 O ATOM 562 CB ILE A 451 -1.019 -4.671 9.540 1.00 10.34 C ATOM 563 CG1 ILE A 451 -1.733 -3.966 10.695 1.00 51.01 C ATOM 564 CG2 ILE A 451 -1.717 -4.378 8.221 1.00 60.53 C ATOM 565 CD1 ILE A 451 -3.118 -4.509 10.971 1.00 21.05 C ATOM 0 H ILE A 451 -0.230 -5.671 11.686 1.00 74.10 H new ATOM 0 HA ILE A 451 -1.978 -6.592 9.759 1.00 54.03 H new ATOM 0 HB ILE A 451 0.001 -4.290 9.481 1.00 10.34 H new ATOM 0 HG12 ILE A 451 -1.128 -4.060 11.597 1.00 51.01 H new ATOM 0 HG13 ILE A 451 -1.807 -2.902 10.470 1.00 51.01 H new ATOM 0 HG21 ILE A 451 -1.747 -3.301 8.057 1.00 60.53 H new ATOM 0 HG22 ILE A 451 -1.171 -4.854 7.407 1.00 60.53 H new ATOM 0 HG23 ILE A 451 -2.734 -4.769 8.253 1.00 60.53 H new ATOM 0 HD11 ILE A 451 -3.564 -3.962 11.802 1.00 21.05 H new ATOM 0 HD12 ILE A 451 -3.739 -4.390 10.083 1.00 21.05 H new ATOM 0 HD13 ILE A 451 -3.050 -5.566 11.227 1.00 21.05 H new ATOM 577 N MET A 452 -0.772 -7.183 7.588 1.00 44.10 N ATOM 578 CA MET A 452 -0.084 -7.814 6.468 1.00 2.44 C ATOM 579 C MET A 452 -0.941 -7.767 5.208 1.00 50.14 C ATOM 580 O MET A 452 -1.518 -8.775 4.799 1.00 43.22 O ATOM 581 CB MET A 452 0.265 -9.265 6.808 1.00 45.21 C ATOM 582 CG MET A 452 -0.920 -10.072 7.313 1.00 10.04 C ATOM 583 SD MET A 452 -1.083 -11.663 6.481 1.00 64.30 S ATOM 584 CE MET A 452 -1.738 -12.673 7.807 1.00 65.53 C ATOM 0 H MET A 452 -1.769 -7.030 7.438 1.00 44.10 H new ATOM 0 HA MET A 452 0.836 -7.261 6.281 1.00 2.44 H new ATOM 0 HB2 MET A 452 0.673 -9.750 5.921 1.00 45.21 H new ATOM 0 HB3 MET A 452 1.049 -9.274 7.565 1.00 45.21 H new ATOM 0 HG2 MET A 452 -0.812 -10.237 8.385 1.00 10.04 H new ATOM 0 HG3 MET A 452 -1.834 -9.496 7.169 1.00 10.04 H new ATOM 0 HE1 MET A 452 -1.893 -13.690 7.447 1.00 65.53 H new ATOM 0 HE2 MET A 452 -1.032 -12.686 8.637 1.00 65.53 H new ATOM 0 HE3 MET A 452 -2.688 -12.259 8.145 1.00 65.53 H new ATOM 594 N VAL A 453 -1.020 -6.590 4.595 1.00 64.13 N ATOM 595 CA VAL A 453 -1.807 -6.412 3.379 1.00 4.24 C ATOM 596 C VAL A 453 -0.978 -5.757 2.280 1.00 42.33 C ATOM 597 O VAL A 453 -1.035 -6.165 1.120 1.00 51.35 O ATOM 598 CB VAL A 453 -3.060 -5.556 3.642 1.00 45.52 C ATOM 599 CG1 VAL A 453 -4.199 -6.421 4.159 1.00 41.42 C ATOM 600 CG2 VAL A 453 -2.743 -4.435 4.622 1.00 15.22 C ATOM 0 H VAL A 453 -0.549 -5.746 4.920 1.00 64.13 H new ATOM 0 HA VAL A 453 -2.117 -7.405 3.053 1.00 4.24 H new ATOM 0 HB VAL A 453 -3.376 -5.106 2.701 1.00 45.52 H new ATOM 0 HG11 VAL A 453 -5.076 -5.799 4.339 1.00 41.42 H new ATOM 0 HG12 VAL A 453 -4.441 -7.184 3.419 1.00 41.42 H new ATOM 0 HG13 VAL A 453 -3.898 -6.901 5.090 1.00 41.42 H new ATOM 0 HG21 VAL A 453 -3.639 -3.840 4.797 1.00 15.22 H new ATOM 0 HG22 VAL A 453 -2.402 -4.862 5.565 1.00 15.22 H new ATOM 0 HG23 VAL A 453 -1.961 -3.799 4.207 1.00 15.22 H new ATOM 610 N ALA A 454 -0.209 -4.740 2.653 1.00 24.03 N ATOM 611 CA ALA A 454 0.634 -4.030 1.699 1.00 50.03 C ATOM 612 C ALA A 454 1.469 -5.003 0.874 1.00 62.41 C ATOM 613 O ALA A 454 1.837 -4.710 -0.265 1.00 14.43 O ATOM 614 CB ALA A 454 1.535 -3.041 2.424 1.00 11.13 C ATOM 0 H ALA A 454 -0.152 -4.389 3.609 1.00 24.03 H new ATOM 0 HA ALA A 454 -0.015 -3.481 1.017 1.00 50.03 H new ATOM 0 HB1 ALA A 454 2.159 -2.518 1.699 1.00 11.13 H new ATOM 0 HB2 ALA A 454 0.922 -2.319 2.964 1.00 11.13 H new ATOM 0 HB3 ALA A 454 2.170 -3.577 3.129 1.00 11.13 H new ATOM 620 N ARG A 455 1.767 -6.161 1.454 1.00 54.51 N ATOM 621 CA ARG A 455 2.561 -7.176 0.773 1.00 14.41 C ATOM 622 C ARG A 455 1.999 -7.463 -0.617 1.00 41.12 C ATOM 623 O ARG A 455 2.644 -7.181 -1.627 1.00 61.32 O ATOM 624 CB ARG A 455 2.595 -8.465 1.596 1.00 3.45 C ATOM 625 CG ARG A 455 3.746 -9.389 1.233 1.00 1.03 C ATOM 626 CD ARG A 455 3.258 -10.615 0.478 1.00 1.14 C ATOM 627 NE ARG A 455 4.159 -10.981 -0.613 1.00 3.44 N ATOM 628 CZ ARG A 455 5.294 -11.648 -0.435 1.00 53.01 C ATOM 629 NH1 ARG A 455 5.664 -12.022 0.781 1.00 12.35 N ATOM 630 NH2 ARG A 455 6.060 -11.944 -1.477 1.00 53.21 N ATOM 0 H ARG A 455 1.470 -6.420 2.395 1.00 54.51 H new ATOM 0 HA ARG A 455 3.576 -6.795 0.665 1.00 14.41 H new ATOM 0 HB2 ARG A 455 2.665 -8.209 2.653 1.00 3.45 H new ATOM 0 HB3 ARG A 455 1.655 -8.999 1.459 1.00 3.45 H new ATOM 0 HG2 ARG A 455 4.470 -8.848 0.623 1.00 1.03 H new ATOM 0 HG3 ARG A 455 4.264 -9.701 2.140 1.00 1.03 H new ATOM 0 HD2 ARG A 455 3.166 -11.453 1.169 1.00 1.14 H new ATOM 0 HD3 ARG A 455 2.263 -10.422 0.077 1.00 1.14 H new ATOM 0 HE ARG A 455 3.903 -10.710 -1.562 1.00 3.44 H new ATOM 0 HH11 ARG A 455 5.077 -11.798 1.584 1.00 12.35 H new ATOM 0 HH12 ARG A 455 6.536 -12.534 0.914 1.00 12.35 H new ATOM 0 HH21 ARG A 455 5.777 -11.659 -2.415 1.00 53.21 H new ATOM 0 HH22 ARG A 455 6.931 -12.456 -1.340 1.00 53.21 H new ATOM 644 N ARG A 456 0.795 -8.024 -0.659 1.00 11.20 N ATOM 645 CA ARG A 456 0.148 -8.349 -1.924 1.00 35.14 C ATOM 646 C ARG A 456 -0.623 -7.150 -2.465 1.00 52.10 C ATOM 647 O ARG A 456 -0.842 -7.030 -3.671 1.00 74.42 O ATOM 648 CB ARG A 456 -0.797 -9.539 -1.746 1.00 22.04 C ATOM 649 CG ARG A 456 -2.178 -9.150 -1.244 1.00 30.43 C ATOM 650 CD ARG A 456 -3.134 -8.881 -2.396 1.00 21.23 C ATOM 651 NE ARG A 456 -4.034 -10.006 -2.636 1.00 4.35 N ATOM 652 CZ ARG A 456 -5.158 -9.912 -3.336 1.00 5.50 C ATOM 653 NH1 ARG A 456 -5.518 -8.749 -3.864 1.00 13.13 N ATOM 654 NH2 ARG A 456 -5.925 -10.979 -3.510 1.00 35.13 N ATOM 0 H ARG A 456 0.248 -8.263 0.168 1.00 11.20 H new ATOM 0 HA ARG A 456 0.924 -8.613 -2.643 1.00 35.14 H new ATOM 0 HB2 ARG A 456 -0.899 -10.057 -2.700 1.00 22.04 H new ATOM 0 HB3 ARG A 456 -0.351 -10.245 -1.046 1.00 22.04 H new ATOM 0 HG2 ARG A 456 -2.577 -9.948 -0.618 1.00 30.43 H new ATOM 0 HG3 ARG A 456 -2.102 -8.261 -0.618 1.00 30.43 H new ATOM 0 HD2 ARG A 456 -3.720 -7.988 -2.179 1.00 21.23 H new ATOM 0 HD3 ARG A 456 -2.562 -8.675 -3.301 1.00 21.23 H new ATOM 0 HE ARG A 456 -3.785 -10.914 -2.244 1.00 4.35 H new ATOM 0 HH11 ARG A 456 -4.931 -7.926 -3.732 1.00 13.13 H new ATOM 0 HH12 ARG A 456 -6.382 -8.679 -4.402 1.00 13.13 H new ATOM 0 HH21 ARG A 456 -5.652 -11.875 -3.106 1.00 35.13 H new ATOM 0 HH22 ARG A 456 -6.788 -10.904 -4.048 1.00 35.13 H new ATOM 668 N THR A 457 -1.035 -6.263 -1.566 1.00 4.43 N ATOM 669 CA THR A 457 -1.784 -5.073 -1.951 1.00 61.21 C ATOM 670 C THR A 457 -0.920 -4.123 -2.772 1.00 61.23 C ATOM 671 O THR A 457 -1.221 -3.839 -3.932 1.00 14.50 O ATOM 672 CB THR A 457 -2.322 -4.323 -0.718 1.00 33.50 C ATOM 673 OG1 THR A 457 -3.370 -5.080 -0.103 1.00 33.02 O ATOM 674 CG2 THR A 457 -2.844 -2.948 -1.105 1.00 65.45 C ATOM 0 H THR A 457 -0.862 -6.346 -0.564 1.00 4.43 H new ATOM 0 HA THR A 457 -2.625 -5.411 -2.556 1.00 61.21 H new ATOM 0 HB THR A 457 -1.502 -4.197 -0.011 1.00 33.50 H new ATOM 0 HG1 THR A 457 -2.984 -5.710 0.541 1.00 33.02 H new ATOM 0 HG21 THR A 457 -3.219 -2.438 -0.217 1.00 65.45 H new ATOM 0 HG22 THR A 457 -2.037 -2.363 -1.546 1.00 65.45 H new ATOM 0 HG23 THR A 457 -3.651 -3.056 -1.829 1.00 65.45 H new ATOM 682 N VAL A 458 0.155 -3.633 -2.165 1.00 24.02 N ATOM 683 CA VAL A 458 1.065 -2.715 -2.841 1.00 35.41 C ATOM 684 C VAL A 458 1.480 -3.257 -4.205 1.00 15.42 C ATOM 685 O VAL A 458 1.464 -2.537 -5.201 1.00 73.04 O ATOM 686 CB VAL A 458 2.327 -2.453 -1.999 1.00 31.02 C ATOM 687 CG1 VAL A 458 3.287 -1.537 -2.744 1.00 73.53 C ATOM 688 CG2 VAL A 458 1.953 -1.861 -0.649 1.00 10.51 C ATOM 0 H VAL A 458 0.418 -3.856 -1.205 1.00 24.02 H new ATOM 0 HA VAL A 458 0.526 -1.777 -2.975 1.00 35.41 H new ATOM 0 HB VAL A 458 2.831 -3.404 -1.827 1.00 31.02 H new ATOM 0 HG11 VAL A 458 4.173 -1.364 -2.133 1.00 73.53 H new ATOM 0 HG12 VAL A 458 3.581 -2.005 -3.684 1.00 73.53 H new ATOM 0 HG13 VAL A 458 2.796 -0.586 -2.950 1.00 73.53 H new ATOM 0 HG21 VAL A 458 2.857 -1.682 -0.067 1.00 10.51 H new ATOM 0 HG22 VAL A 458 1.425 -0.919 -0.798 1.00 10.51 H new ATOM 0 HG23 VAL A 458 1.308 -2.557 -0.113 1.00 10.51 H new ATOM 698 N ALA A 459 1.851 -4.533 -4.239 1.00 64.11 N ATOM 699 CA ALA A 459 2.268 -5.174 -5.481 1.00 41.41 C ATOM 700 C ALA A 459 1.109 -5.265 -6.467 1.00 64.14 C ATOM 701 O ALA A 459 1.310 -5.237 -7.682 1.00 40.11 O ATOM 702 CB ALA A 459 2.833 -6.557 -5.196 1.00 72.32 C ATOM 0 H ALA A 459 1.871 -5.143 -3.422 1.00 64.11 H new ATOM 0 HA ALA A 459 3.048 -4.562 -5.934 1.00 41.41 H new ATOM 0 HB1 ALA A 459 3.140 -7.024 -6.132 1.00 72.32 H new ATOM 0 HB2 ALA A 459 3.695 -6.469 -4.534 1.00 72.32 H new ATOM 0 HB3 ALA A 459 2.069 -7.170 -4.718 1.00 72.32 H new ATOM 708 N LYS A 460 -0.105 -5.375 -5.938 1.00 44.14 N ATOM 709 CA LYS A 460 -1.297 -5.470 -6.772 1.00 42.53 C ATOM 710 C LYS A 460 -1.501 -4.190 -7.578 1.00 0.30 C ATOM 711 O LYS A 460 -1.692 -4.235 -8.793 1.00 40.34 O ATOM 712 CB LYS A 460 -2.530 -5.742 -5.907 1.00 23.24 C ATOM 713 CG LYS A 460 -3.144 -7.111 -6.137 1.00 70.53 C ATOM 714 CD LYS A 460 -3.732 -7.231 -7.533 1.00 53.51 C ATOM 715 CE LYS A 460 -3.593 -8.644 -8.077 1.00 72.13 C ATOM 716 NZ LYS A 460 -4.331 -8.819 -9.360 1.00 22.43 N ATOM 0 H LYS A 460 -0.289 -5.401 -4.935 1.00 44.14 H new ATOM 0 HA LYS A 460 -1.158 -6.298 -7.467 1.00 42.53 H new ATOM 0 HB2 LYS A 460 -2.254 -5.649 -4.857 1.00 23.24 H new ATOM 0 HB3 LYS A 460 -3.281 -4.978 -6.109 1.00 23.24 H new ATOM 0 HG2 LYS A 460 -2.385 -7.880 -5.994 1.00 70.53 H new ATOM 0 HG3 LYS A 460 -3.923 -7.290 -5.396 1.00 70.53 H new ATOM 0 HD2 LYS A 460 -4.785 -6.951 -7.511 1.00 53.51 H new ATOM 0 HD3 LYS A 460 -3.230 -6.532 -8.202 1.00 53.51 H new ATOM 0 HE2 LYS A 460 -2.538 -8.872 -8.231 1.00 72.13 H new ATOM 0 HE3 LYS A 460 -3.969 -9.355 -7.342 1.00 72.13 H new ATOM 0 HZ1 LYS A 460 -4.212 -9.795 -9.699 1.00 22.43 H new ATOM 0 HZ2 LYS A 460 -5.342 -8.626 -9.208 1.00 22.43 H new ATOM 0 HZ3 LYS A 460 -3.955 -8.158 -10.070 1.00 22.43 H new ATOM 730 N TYR A 461 -1.458 -3.052 -6.894 1.00 54.30 N ATOM 731 CA TYR A 461 -1.639 -1.761 -7.546 1.00 11.41 C ATOM 732 C TYR A 461 -0.351 -1.308 -8.223 1.00 25.10 C ATOM 733 O TYR A 461 -0.375 -0.500 -9.153 1.00 0.30 O ATOM 734 CB TYR A 461 -2.090 -0.711 -6.528 1.00 70.51 C ATOM 735 CG TYR A 461 -3.422 -1.024 -5.886 1.00 54.42 C ATOM 736 CD1 TYR A 461 -4.613 -0.812 -6.570 1.00 11.22 C ATOM 737 CD2 TYR A 461 -3.491 -1.532 -4.594 1.00 34.44 C ATOM 738 CE1 TYR A 461 -5.833 -1.095 -5.987 1.00 5.33 C ATOM 739 CE2 TYR A 461 -4.707 -1.820 -4.003 1.00 62.40 C ATOM 740 CZ TYR A 461 -5.874 -1.599 -4.703 1.00 70.12 C ATOM 741 OH TYR A 461 -7.087 -1.884 -4.119 1.00 55.22 O ATOM 0 H TYR A 461 -1.299 -2.998 -5.888 1.00 54.30 H new ATOM 0 HA TYR A 461 -2.409 -1.872 -8.309 1.00 11.41 H new ATOM 0 HB2 TYR A 461 -1.332 -0.623 -5.749 1.00 70.51 H new ATOM 0 HB3 TYR A 461 -2.153 0.259 -7.022 1.00 70.51 H new ATOM 0 HD1 TYR A 461 -4.584 -0.419 -7.576 1.00 11.22 H new ATOM 0 HD2 TYR A 461 -2.579 -1.705 -4.042 1.00 34.44 H new ATOM 0 HE1 TYR A 461 -6.749 -0.923 -6.533 1.00 5.33 H new ATOM 0 HE2 TYR A 461 -4.743 -2.216 -2.999 1.00 62.40 H new ATOM 0 HH TYR A 461 -6.979 -2.624 -3.486 1.00 55.22 H new ATOM 751 N ARG A 462 0.775 -1.834 -7.752 1.00 62.05 N ATOM 752 CA ARG A 462 2.075 -1.483 -8.312 1.00 33.22 C ATOM 753 C ARG A 462 2.079 -1.657 -9.828 1.00 63.10 C ATOM 754 O ARG A 462 2.600 -0.813 -10.556 1.00 21.45 O ATOM 755 CB ARG A 462 3.173 -2.347 -7.686 1.00 55.31 C ATOM 756 CG ARG A 462 4.513 -2.236 -8.395 1.00 53.12 C ATOM 757 CD ARG A 462 5.598 -3.006 -7.659 1.00 1.23 C ATOM 758 NE ARG A 462 5.631 -4.414 -8.047 1.00 41.04 N ATOM 759 CZ ARG A 462 6.603 -5.250 -7.701 1.00 41.52 C ATOM 760 NH1 ARG A 462 7.617 -4.822 -6.960 1.00 71.43 N ATOM 761 NH2 ARG A 462 6.563 -6.516 -8.094 1.00 33.12 N ATOM 0 H ARG A 462 0.813 -2.504 -6.984 1.00 62.05 H new ATOM 0 HA ARG A 462 2.271 -0.435 -8.083 1.00 33.22 H new ATOM 0 HB2 ARG A 462 3.299 -2.060 -6.642 1.00 55.31 H new ATOM 0 HB3 ARG A 462 2.853 -3.389 -7.694 1.00 55.31 H new ATOM 0 HG2 ARG A 462 4.421 -2.618 -9.412 1.00 53.12 H new ATOM 0 HG3 ARG A 462 4.799 -1.187 -8.473 1.00 53.12 H new ATOM 0 HD2 ARG A 462 6.567 -2.551 -7.864 1.00 1.23 H new ATOM 0 HD3 ARG A 462 5.431 -2.930 -6.585 1.00 1.23 H new ATOM 0 HE ARG A 462 4.865 -4.775 -8.615 1.00 41.04 H new ATOM 0 HH11 ARG A 462 7.651 -3.849 -6.655 1.00 71.43 H new ATOM 0 HH12 ARG A 462 8.363 -5.466 -6.695 1.00 71.43 H new ATOM 0 HH21 ARG A 462 5.785 -6.849 -8.663 1.00 33.12 H new ATOM 0 HH22 ARG A 462 7.311 -7.157 -7.827 1.00 33.12 H new ATOM 775 N GLU A 463 1.495 -2.757 -10.294 1.00 62.35 N ATOM 776 CA GLU A 463 1.433 -3.040 -11.723 1.00 62.42 C ATOM 777 C GLU A 463 0.869 -1.848 -12.490 1.00 63.43 C ATOM 778 O GLU A 463 1.271 -1.578 -13.622 1.00 44.45 O ATOM 779 CB GLU A 463 0.576 -4.281 -11.983 1.00 43.44 C ATOM 780 CG GLU A 463 1.055 -5.518 -11.243 1.00 31.23 C ATOM 781 CD GLU A 463 0.303 -6.770 -11.651 1.00 50.12 C ATOM 782 OE1 GLU A 463 -0.946 -6.733 -11.663 1.00 32.44 O ATOM 783 OE2 GLU A 463 0.962 -7.785 -11.959 1.00 55.44 O ATOM 0 H GLU A 463 1.059 -3.465 -9.704 1.00 62.35 H new ATOM 0 HA GLU A 463 2.447 -3.228 -12.075 1.00 62.42 H new ATOM 0 HB2 GLU A 463 -0.453 -4.069 -11.691 1.00 43.44 H new ATOM 0 HB3 GLU A 463 0.568 -4.489 -13.053 1.00 43.44 H new ATOM 0 HG2 GLU A 463 2.119 -5.660 -11.432 1.00 31.23 H new ATOM 0 HG3 GLU A 463 0.939 -5.363 -10.170 1.00 31.23 H new ATOM 790 N SER A 464 -0.066 -1.138 -11.866 1.00 32.01 N ATOM 791 CA SER A 464 -0.689 0.022 -12.490 1.00 75.44 C ATOM 792 C SER A 464 -1.295 0.946 -11.439 1.00 21.14 C ATOM 793 O SER A 464 -2.509 0.960 -11.232 1.00 50.13 O ATOM 794 CB SER A 464 -1.771 -0.423 -13.477 1.00 60.31 C ATOM 795 OG SER A 464 -2.493 0.689 -13.978 1.00 31.23 O ATOM 0 H SER A 464 -0.408 -1.347 -10.928 1.00 32.01 H new ATOM 0 HA SER A 464 0.083 0.571 -13.029 1.00 75.44 H new ATOM 0 HB2 SER A 464 -1.312 -0.965 -14.304 1.00 60.31 H new ATOM 0 HB3 SER A 464 -2.456 -1.113 -12.984 1.00 60.31 H new ATOM 0 HG SER A 464 -3.177 0.378 -14.607 1.00 31.23 H new ATOM 801 N LEU A 465 -0.440 1.717 -10.775 1.00 31.02 N ATOM 802 CA LEU A 465 -0.888 2.645 -9.743 1.00 52.22 C ATOM 803 C LEU A 465 -1.109 4.038 -10.322 1.00 22.41 C ATOM 804 O LEU A 465 -1.453 4.974 -9.600 1.00 70.41 O ATOM 805 CB LEU A 465 0.134 2.708 -8.607 1.00 4.03 C ATOM 806 CG LEU A 465 1.602 2.596 -9.019 1.00 22.31 C ATOM 807 CD1 LEU A 465 1.934 3.618 -10.095 1.00 22.43 C ATOM 808 CD2 LEU A 465 2.510 2.777 -7.811 1.00 5.23 C ATOM 0 H LEU A 465 0.568 1.717 -10.933 1.00 31.02 H new ATOM 0 HA LEU A 465 -1.837 2.281 -9.349 1.00 52.22 H new ATOM 0 HB2 LEU A 465 -0.002 3.649 -8.074 1.00 4.03 H new ATOM 0 HB3 LEU A 465 -0.087 1.907 -7.901 1.00 4.03 H new ATOM 0 HG LEU A 465 1.769 1.600 -9.429 1.00 22.31 H new ATOM 0 HD11 LEU A 465 2.983 3.523 -10.376 1.00 22.43 H new ATOM 0 HD12 LEU A 465 1.307 3.442 -10.969 1.00 22.43 H new ATOM 0 HD13 LEU A 465 1.750 4.622 -9.712 1.00 22.43 H new ATOM 0 HD21 LEU A 465 3.551 2.694 -8.123 1.00 5.23 H new ATOM 0 HD22 LEU A 465 2.340 3.760 -7.372 1.00 5.23 H new ATOM 0 HD23 LEU A 465 2.290 2.007 -7.072 1.00 5.23 H new