USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=12 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= 0.0429 USER MOD Single : A 417 SER OG : rot 92:sc= 1.31 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 X(o=0,f=0) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 441 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 THR OG1 : rot -35:sc= 0.0709 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 19:sc= 0.777 USER MOD Single : A 449 GLN : amide:sc= -1.25 K(o=-1.3,f=-4.6!) USER MOD Single : A 452 MET CE :methyl -171:sc= 0 (180deg=-0.0886) USER MOD Single : A 457 THR OG1 : rot 86:sc= 0.233 USER MOD Single : A 460 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 461 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -16.889 -0.366 -9.602 1.00 60.21 N ATOM 2 CA GLU A 414 -16.768 -0.098 -8.173 1.00 70.44 C ATOM 3 C GLU A 414 -16.144 1.273 -7.929 1.00 32.34 C ATOM 4 O GLU A 414 -15.021 1.541 -8.357 1.00 71.04 O ATOM 5 CB GLU A 414 -15.927 -1.182 -7.498 1.00 52.33 C ATOM 6 CG GLU A 414 -16.754 -2.293 -6.874 1.00 15.34 C ATOM 7 CD GLU A 414 -15.956 -3.140 -5.902 1.00 22.11 C ATOM 8 OE1 GLU A 414 -14.930 -3.716 -6.320 1.00 12.21 O ATOM 9 OE2 GLU A 414 -16.358 -3.227 -4.722 1.00 42.13 O ATOM 0 HA GLU A 414 -17.769 -0.105 -7.741 1.00 70.44 H new ATOM 0 HB2 GLU A 414 -15.249 -1.615 -8.234 1.00 52.33 H new ATOM 0 HB3 GLU A 414 -15.309 -0.723 -6.726 1.00 52.33 H new ATOM 0 HG2 GLU A 414 -17.607 -1.857 -6.354 1.00 15.34 H new ATOM 0 HG3 GLU A 414 -17.153 -2.931 -7.663 1.00 15.34 H new ATOM 16 N ALA A 415 -16.878 2.136 -7.236 1.00 42.44 N ATOM 17 CA ALA A 415 -16.398 3.478 -6.932 1.00 20.34 C ATOM 18 C ALA A 415 -15.393 3.454 -5.784 1.00 30.21 C ATOM 19 O ALA A 415 -14.795 4.477 -5.448 1.00 13.31 O ATOM 20 CB ALA A 415 -17.565 4.394 -6.595 1.00 31.33 C ATOM 0 H ALA A 415 -17.809 1.930 -6.874 1.00 42.44 H new ATOM 0 HA ALA A 415 -15.892 3.865 -7.817 1.00 20.34 H new ATOM 0 HB1 ALA A 415 -17.191 5.393 -6.370 1.00 31.33 H new ATOM 0 HB2 ALA A 415 -18.245 4.444 -7.445 1.00 31.33 H new ATOM 0 HB3 ALA A 415 -18.096 4.002 -5.728 1.00 31.33 H new ATOM 26 N SER A 416 -15.214 2.281 -5.185 1.00 42.30 N ATOM 27 CA SER A 416 -14.286 2.125 -4.071 1.00 24.22 C ATOM 28 C SER A 416 -12.864 1.898 -4.577 1.00 10.34 C ATOM 29 O SER A 416 -11.892 2.140 -3.860 1.00 75.11 O ATOM 30 CB SER A 416 -14.715 0.957 -3.181 1.00 65.23 C ATOM 31 OG SER A 416 -15.993 0.474 -3.556 1.00 11.10 O ATOM 0 H SER A 416 -15.699 1.425 -5.452 1.00 42.30 H new ATOM 0 HA SER A 416 -14.303 3.044 -3.485 1.00 24.22 H new ATOM 0 HB2 SER A 416 -13.983 0.153 -3.253 1.00 65.23 H new ATOM 0 HB3 SER A 416 -14.735 1.277 -2.139 1.00 65.23 H new ATOM 0 HG SER A 416 -16.244 -0.273 -2.974 1.00 11.10 H new ATOM 37 N SER A 417 -12.751 1.433 -5.816 1.00 71.41 N ATOM 38 CA SER A 417 -11.448 1.169 -6.418 1.00 54.34 C ATOM 39 C SER A 417 -10.646 2.458 -6.563 1.00 62.55 C ATOM 40 O SER A 417 -9.416 2.447 -6.515 1.00 51.13 O ATOM 41 CB SER A 417 -11.621 0.504 -7.785 1.00 2.10 C ATOM 42 OG SER A 417 -12.921 -0.042 -7.928 1.00 42.21 O ATOM 0 H SER A 417 -13.545 1.231 -6.423 1.00 71.41 H new ATOM 0 HA SER A 417 -10.900 0.494 -5.761 1.00 54.34 H new ATOM 0 HB2 SER A 417 -11.442 1.235 -8.573 1.00 2.10 H new ATOM 0 HB3 SER A 417 -10.877 -0.284 -7.906 1.00 2.10 H new ATOM 0 HG SER A 417 -13.512 0.623 -8.338 1.00 42.21 H new ATOM 48 N THR A 418 -11.353 3.570 -6.743 1.00 20.42 N ATOM 49 CA THR A 418 -10.709 4.868 -6.898 1.00 3.14 C ATOM 50 C THR A 418 -10.294 5.440 -5.547 1.00 2.41 C ATOM 51 O THR A 418 -9.357 6.234 -5.460 1.00 12.33 O ATOM 52 CB THR A 418 -11.634 5.874 -7.606 1.00 63.21 C ATOM 53 OG1 THR A 418 -11.986 5.386 -8.905 1.00 72.00 O ATOM 54 CG2 THR A 418 -10.960 7.232 -7.734 1.00 52.35 C ATOM 0 H THR A 418 -12.372 3.597 -6.785 1.00 20.42 H new ATOM 0 HA THR A 418 -9.822 4.709 -7.511 1.00 3.14 H new ATOM 0 HB THR A 418 -12.536 5.989 -7.005 1.00 63.21 H new ATOM 0 HG1 THR A 418 -12.576 6.031 -9.348 1.00 72.00 H new ATOM 0 HG21 THR A 418 -11.633 7.926 -8.237 1.00 52.35 H new ATOM 0 HG22 THR A 418 -10.720 7.614 -6.742 1.00 52.35 H new ATOM 0 HG23 THR A 418 -10.043 7.130 -8.315 1.00 52.35 H new ATOM 62 N ALA A 419 -10.997 5.031 -4.495 1.00 24.52 N ATOM 63 CA ALA A 419 -10.699 5.502 -3.148 1.00 73.44 C ATOM 64 C ALA A 419 -9.364 4.953 -2.657 1.00 20.41 C ATOM 65 O ALA A 419 -8.717 5.547 -1.794 1.00 30.14 O ATOM 66 CB ALA A 419 -11.816 5.108 -2.194 1.00 13.33 C ATOM 0 H ALA A 419 -11.776 4.375 -4.550 1.00 24.52 H new ATOM 0 HA ALA A 419 -10.626 6.589 -3.177 1.00 73.44 H new ATOM 0 HB1 ALA A 419 -11.581 5.466 -1.191 1.00 13.33 H new ATOM 0 HB2 ALA A 419 -12.753 5.553 -2.528 1.00 13.33 H new ATOM 0 HB3 ALA A 419 -11.915 4.023 -2.178 1.00 13.33 H new ATOM 72 N ILE A 420 -8.957 3.816 -3.212 1.00 3.03 N ATOM 73 CA ILE A 420 -7.698 3.188 -2.830 1.00 64.31 C ATOM 74 C ILE A 420 -6.506 3.972 -3.370 1.00 52.45 C ATOM 75 O ILE A 420 -5.386 3.833 -2.880 1.00 32.22 O ATOM 76 CB ILE A 420 -7.615 1.737 -3.339 1.00 73.01 C ATOM 77 CG1 ILE A 420 -8.897 0.977 -2.989 1.00 62.05 C ATOM 78 CG2 ILE A 420 -6.401 1.036 -2.749 1.00 24.24 C ATOM 79 CD1 ILE A 420 -9.195 0.945 -1.506 1.00 20.51 C ATOM 0 H ILE A 420 -9.481 3.311 -3.927 1.00 3.03 H new ATOM 0 HA ILE A 420 -7.665 3.185 -1.740 1.00 64.31 H new ATOM 0 HB ILE A 420 -7.508 1.754 -4.424 1.00 73.01 H new ATOM 0 HG12 ILE A 420 -9.736 1.437 -3.510 1.00 62.05 H new ATOM 0 HG13 ILE A 420 -8.815 -0.046 -3.357 1.00 62.05 H new ATOM 0 HG21 ILE A 420 -6.357 0.012 -3.119 1.00 24.24 H new ATOM 0 HG22 ILE A 420 -5.496 1.567 -3.043 1.00 24.24 H new ATOM 0 HG23 ILE A 420 -6.479 1.026 -1.662 1.00 24.24 H new ATOM 0 HD11 ILE A 420 -10.117 0.390 -1.332 1.00 20.51 H new ATOM 0 HD12 ILE A 420 -8.374 0.458 -0.980 1.00 20.51 H new ATOM 0 HD13 ILE A 420 -9.309 1.964 -1.136 1.00 20.51 H new ATOM 91 N ARG A 421 -6.758 4.797 -4.382 1.00 4.55 N ATOM 92 CA ARG A 421 -5.706 5.605 -4.987 1.00 2.05 C ATOM 93 C ARG A 421 -4.945 6.392 -3.925 1.00 25.31 C ATOM 94 O ARG A 421 -3.745 6.634 -4.057 1.00 30.33 O ATOM 95 CB ARG A 421 -6.300 6.564 -6.020 1.00 52.12 C ATOM 96 CG ARG A 421 -5.261 7.212 -6.919 1.00 63.24 C ATOM 97 CD ARG A 421 -5.870 8.316 -7.770 1.00 34.43 C ATOM 98 NE ARG A 421 -6.469 7.793 -8.996 1.00 41.21 N ATOM 99 CZ ARG A 421 -7.100 8.552 -9.886 1.00 74.24 C ATOM 100 NH1 ARG A 421 -7.214 9.858 -9.688 1.00 34.25 N ATOM 101 NH2 ARG A 421 -7.618 8.003 -10.977 1.00 73.43 N ATOM 0 H ARG A 421 -7.680 4.923 -4.799 1.00 4.55 H new ATOM 0 HA ARG A 421 -5.008 4.932 -5.485 1.00 2.05 H new ATOM 0 HB2 ARG A 421 -7.015 6.021 -6.638 1.00 52.12 H new ATOM 0 HB3 ARG A 421 -6.856 7.345 -5.501 1.00 52.12 H new ATOM 0 HG2 ARG A 421 -4.457 7.623 -6.309 1.00 63.24 H new ATOM 0 HG3 ARG A 421 -4.816 6.456 -7.566 1.00 63.24 H new ATOM 0 HD2 ARG A 421 -6.629 8.843 -7.192 1.00 34.43 H new ATOM 0 HD3 ARG A 421 -5.100 9.044 -8.024 1.00 34.43 H new ATOM 0 HE ARG A 421 -6.399 6.792 -9.178 1.00 41.21 H new ATOM 0 HH11 ARG A 421 -6.817 10.283 -8.850 1.00 34.25 H new ATOM 0 HH12 ARG A 421 -7.699 10.437 -10.373 1.00 34.25 H new ATOM 0 HH21 ARG A 421 -7.532 6.999 -11.133 1.00 73.43 H new ATOM 0 HH22 ARG A 421 -8.102 8.585 -11.660 1.00 73.43 H new ATOM 115 N ALA A 422 -5.651 6.792 -2.872 1.00 22.14 N ATOM 116 CA ALA A 422 -5.042 7.550 -1.787 1.00 5.32 C ATOM 117 C ALA A 422 -4.444 6.621 -0.736 1.00 45.51 C ATOM 118 O ALA A 422 -3.528 7.002 -0.006 1.00 2.22 O ATOM 119 CB ALA A 422 -6.067 8.479 -1.152 1.00 24.33 C ATOM 0 H ALA A 422 -6.646 6.603 -2.748 1.00 22.14 H new ATOM 0 HA ALA A 422 -4.234 8.150 -2.205 1.00 5.32 H new ATOM 0 HB1 ALA A 422 -5.598 9.039 -0.343 1.00 24.33 H new ATOM 0 HB2 ALA A 422 -6.444 9.173 -1.903 1.00 24.33 H new ATOM 0 HB3 ALA A 422 -6.894 7.891 -0.754 1.00 24.33 H new ATOM 125 N LEU A 423 -4.968 5.403 -0.663 1.00 1.12 N ATOM 126 CA LEU A 423 -4.486 4.420 0.301 1.00 33.42 C ATOM 127 C LEU A 423 -3.010 4.108 0.069 1.00 52.35 C ATOM 128 O LEU A 423 -2.212 4.103 1.006 1.00 32.11 O ATOM 129 CB LEU A 423 -5.310 3.135 0.204 1.00 54.13 C ATOM 130 CG LEU A 423 -6.305 2.889 1.339 1.00 2.13 C ATOM 131 CD1 LEU A 423 -5.574 2.493 2.613 1.00 32.23 C ATOM 132 CD2 LEU A 423 -7.160 4.125 1.577 1.00 44.53 C ATOM 0 H LEU A 423 -5.726 5.072 -1.259 1.00 1.12 H new ATOM 0 HA LEU A 423 -4.598 4.842 1.300 1.00 33.42 H new ATOM 0 HB2 LEU A 423 -5.859 3.149 -0.737 1.00 54.13 H new ATOM 0 HB3 LEU A 423 -4.624 2.289 0.160 1.00 54.13 H new ATOM 0 HG LEU A 423 -6.961 2.068 1.049 1.00 2.13 H new ATOM 0 HD11 LEU A 423 -6.298 2.322 3.410 1.00 32.23 H new ATOM 0 HD12 LEU A 423 -5.005 1.580 2.437 1.00 32.23 H new ATOM 0 HD13 LEU A 423 -4.894 3.293 2.906 1.00 32.23 H new ATOM 0 HD21 LEU A 423 -7.862 3.931 2.388 1.00 44.53 H new ATOM 0 HD22 LEU A 423 -6.519 4.965 1.845 1.00 44.53 H new ATOM 0 HD23 LEU A 423 -7.712 4.366 0.669 1.00 44.53 H new ATOM 144 N VAL A 424 -2.655 3.851 -1.186 1.00 14.03 N ATOM 145 CA VAL A 424 -1.276 3.542 -1.542 1.00 4.24 C ATOM 146 C VAL A 424 -0.361 4.735 -1.285 1.00 73.05 C ATOM 147 O VAL A 424 0.861 4.596 -1.239 1.00 12.32 O ATOM 148 CB VAL A 424 -1.157 3.127 -3.021 1.00 31.14 C ATOM 149 CG1 VAL A 424 0.272 2.719 -3.347 1.00 73.05 C ATOM 150 CG2 VAL A 424 -2.128 2.000 -3.337 1.00 33.33 C ATOM 0 H VAL A 424 -3.304 3.851 -1.973 1.00 14.03 H new ATOM 0 HA VAL A 424 -0.966 2.708 -0.912 1.00 4.24 H new ATOM 0 HB VAL A 424 -1.416 3.983 -3.644 1.00 31.14 H new ATOM 0 HG11 VAL A 424 0.337 2.429 -4.396 1.00 73.05 H new ATOM 0 HG12 VAL A 424 0.942 3.558 -3.160 1.00 73.05 H new ATOM 0 HG13 VAL A 424 0.562 1.877 -2.719 1.00 73.05 H new ATOM 0 HG21 VAL A 424 -2.031 1.719 -4.386 1.00 33.33 H new ATOM 0 HG22 VAL A 424 -1.903 1.139 -2.708 1.00 33.33 H new ATOM 0 HG23 VAL A 424 -3.148 2.333 -3.144 1.00 33.33 H new ATOM 160 N LYS A 425 -0.962 5.909 -1.119 1.00 74.21 N ATOM 161 CA LYS A 425 -0.203 7.128 -0.865 1.00 71.44 C ATOM 162 C LYS A 425 0.207 7.217 0.601 1.00 25.24 C ATOM 163 O LYS A 425 1.192 7.873 0.942 1.00 61.43 O ATOM 164 CB LYS A 425 -1.030 8.356 -1.249 1.00 62.21 C ATOM 165 CG LYS A 425 -0.187 9.557 -1.642 1.00 45.25 C ATOM 166 CD LYS A 425 -0.111 9.715 -3.151 1.00 42.24 C ATOM 167 CE LYS A 425 -1.165 10.684 -3.665 1.00 72.34 C ATOM 168 NZ LYS A 425 -0.596 11.664 -4.631 1.00 73.21 N ATOM 0 H LYS A 425 -1.973 6.042 -1.156 1.00 74.21 H new ATOM 0 HA LYS A 425 0.699 7.099 -1.476 1.00 71.44 H new ATOM 0 HB2 LYS A 425 -1.687 8.096 -2.079 1.00 62.21 H new ATOM 0 HB3 LYS A 425 -1.669 8.630 -0.410 1.00 62.21 H new ATOM 0 HG2 LYS A 425 -0.610 10.460 -1.202 1.00 45.25 H new ATOM 0 HG3 LYS A 425 0.818 9.446 -1.236 1.00 45.25 H new ATOM 0 HD2 LYS A 425 0.880 10.072 -3.431 1.00 42.24 H new ATOM 0 HD3 LYS A 425 -0.246 8.744 -3.627 1.00 42.24 H new ATOM 0 HE2 LYS A 425 -1.968 10.125 -4.146 1.00 72.34 H new ATOM 0 HE3 LYS A 425 -1.607 11.218 -2.824 1.00 72.34 H new ATOM 0 HZ1 LYS A 425 -1.347 12.306 -4.957 1.00 73.21 H new ATOM 0 HZ2 LYS A 425 0.153 12.215 -4.166 1.00 73.21 H new ATOM 0 HZ3 LYS A 425 -0.196 11.156 -5.446 1.00 73.21 H new ATOM 182 N LYS A 426 -0.551 6.551 1.465 1.00 23.42 N ATOM 183 CA LYS A 426 -0.265 6.552 2.895 1.00 23.21 C ATOM 184 C LYS A 426 0.938 5.667 3.210 1.00 43.23 C ATOM 185 O LYS A 426 1.757 5.998 4.068 1.00 25.04 O ATOM 186 CB LYS A 426 -1.486 6.071 3.681 1.00 32.13 C ATOM 187 CG LYS A 426 -1.674 6.783 5.009 1.00 20.24 C ATOM 188 CD LYS A 426 -1.091 5.980 6.160 1.00 30.33 C ATOM 189 CE LYS A 426 -2.179 5.274 6.954 1.00 14.52 C ATOM 190 NZ LYS A 426 -2.574 6.048 8.164 1.00 52.22 N ATOM 0 H LYS A 426 -1.369 6.003 1.200 1.00 23.42 H new ATOM 0 HA LYS A 426 -0.030 7.574 3.192 1.00 23.21 H new ATOM 0 HB2 LYS A 426 -2.379 6.214 3.072 1.00 32.13 H new ATOM 0 HB3 LYS A 426 -1.392 5.000 3.863 1.00 32.13 H new ATOM 0 HG2 LYS A 426 -1.197 7.762 4.969 1.00 20.24 H new ATOM 0 HG3 LYS A 426 -2.736 6.953 5.184 1.00 20.24 H new ATOM 0 HD2 LYS A 426 -0.387 5.244 5.772 1.00 30.33 H new ATOM 0 HD3 LYS A 426 -0.529 6.642 6.819 1.00 30.33 H new ATOM 0 HE2 LYS A 426 -3.052 5.123 6.319 1.00 14.52 H new ATOM 0 HE3 LYS A 426 -1.827 4.287 7.253 1.00 14.52 H new ATOM 0 HZ1 LYS A 426 -3.317 5.533 8.678 1.00 52.22 H new ATOM 0 HZ2 LYS A 426 -1.747 6.171 8.783 1.00 52.22 H new ATOM 0 HZ3 LYS A 426 -2.934 6.981 7.877 1.00 52.22 H new ATOM 204 N LEU A 427 1.038 4.544 2.510 1.00 74.55 N ATOM 205 CA LEU A 427 2.141 3.611 2.714 1.00 31.32 C ATOM 206 C LEU A 427 3.466 4.233 2.284 1.00 2.42 C ATOM 207 O LEU A 427 4.521 3.911 2.832 1.00 53.24 O ATOM 208 CB LEU A 427 1.894 2.319 1.932 1.00 24.24 C ATOM 209 CG LEU A 427 0.785 1.413 2.468 1.00 34.24 C ATOM 210 CD1 LEU A 427 0.958 1.184 3.961 1.00 13.02 C ATOM 211 CD2 LEU A 427 -0.582 2.012 2.172 1.00 75.22 C ATOM 0 H LEU A 427 0.369 4.256 1.796 1.00 74.55 H new ATOM 0 HA LEU A 427 2.197 3.380 3.778 1.00 31.32 H new ATOM 0 HB2 LEU A 427 1.655 2.581 0.901 1.00 24.24 H new ATOM 0 HB3 LEU A 427 2.823 1.749 1.909 1.00 24.24 H new ATOM 0 HG LEU A 427 0.853 0.449 1.964 1.00 34.24 H new ATOM 0 HD11 LEU A 427 0.160 0.537 4.325 1.00 13.02 H new ATOM 0 HD12 LEU A 427 1.922 0.711 4.147 1.00 13.02 H new ATOM 0 HD13 LEU A 427 0.916 2.140 4.483 1.00 13.02 H new ATOM 0 HD21 LEU A 427 -1.359 1.354 2.560 1.00 75.22 H new ATOM 0 HD22 LEU A 427 -0.662 2.989 2.649 1.00 75.22 H new ATOM 0 HD23 LEU A 427 -0.705 2.123 1.095 1.00 75.22 H new ATOM 223 N ILE A 428 3.404 5.127 1.302 1.00 13.33 N ATOM 224 CA ILE A 428 4.598 5.796 0.802 1.00 30.23 C ATOM 225 C ILE A 428 4.804 7.141 1.491 1.00 53.40 C ATOM 226 O ILE A 428 5.921 7.654 1.553 1.00 11.11 O ATOM 227 CB ILE A 428 4.523 6.018 -0.720 1.00 71.31 C ATOM 228 CG1 ILE A 428 4.233 4.697 -1.436 1.00 22.40 C ATOM 229 CG2 ILE A 428 5.819 6.631 -1.230 1.00 32.32 C ATOM 230 CD1 ILE A 428 3.940 4.861 -2.911 1.00 4.52 C ATOM 0 H ILE A 428 2.539 5.404 0.837 1.00 13.33 H new ATOM 0 HA ILE A 428 5.442 5.143 1.025 1.00 30.23 H new ATOM 0 HB ILE A 428 3.709 6.711 -0.932 1.00 71.31 H new ATOM 0 HG12 ILE A 428 5.088 4.032 -1.315 1.00 22.40 H new ATOM 0 HG13 ILE A 428 3.383 4.212 -0.957 1.00 22.40 H new ATOM 0 HG21 ILE A 428 5.751 6.782 -2.307 1.00 32.32 H new ATOM 0 HG22 ILE A 428 5.986 7.590 -0.739 1.00 32.32 H new ATOM 0 HG23 ILE A 428 6.650 5.961 -1.009 1.00 32.32 H new ATOM 0 HD11 ILE A 428 3.744 3.884 -3.354 1.00 4.52 H new ATOM 0 HD12 ILE A 428 3.066 5.500 -3.040 1.00 4.52 H new ATOM 0 HD13 ILE A 428 4.799 5.317 -3.404 1.00 4.52 H new ATOM 242 N ALA A 429 3.718 7.706 2.010 1.00 71.42 N ATOM 243 CA ALA A 429 3.780 8.990 2.697 1.00 14.25 C ATOM 244 C ALA A 429 4.644 8.899 3.951 1.00 61.42 C ATOM 245 O ALA A 429 5.359 9.841 4.292 1.00 4.40 O ATOM 246 CB ALA A 429 2.379 9.465 3.054 1.00 21.44 C ATOM 0 H ALA A 429 2.786 7.295 1.968 1.00 71.42 H new ATOM 0 HA ALA A 429 4.237 9.714 2.023 1.00 14.25 H new ATOM 0 HB1 ALA A 429 2.440 10.425 3.567 1.00 21.44 H new ATOM 0 HB2 ALA A 429 1.790 9.576 2.144 1.00 21.44 H new ATOM 0 HB3 ALA A 429 1.903 8.734 3.708 1.00 21.44 H new ATOM 252 N ALA A 430 4.574 7.760 4.632 1.00 63.14 N ATOM 253 CA ALA A 430 5.352 7.548 5.847 1.00 71.41 C ATOM 254 C ALA A 430 6.655 6.817 5.542 1.00 34.25 C ATOM 255 O ALA A 430 7.195 6.112 6.395 1.00 12.23 O ATOM 256 CB ALA A 430 4.534 6.770 6.867 1.00 12.31 C ATOM 0 H ALA A 430 3.987 6.970 4.363 1.00 63.14 H new ATOM 0 HA ALA A 430 5.602 8.523 6.265 1.00 71.41 H new ATOM 0 HB1 ALA A 430 5.126 6.619 7.769 1.00 12.31 H new ATOM 0 HB2 ALA A 430 3.633 7.331 7.115 1.00 12.31 H new ATOM 0 HB3 ALA A 430 4.256 5.803 6.449 1.00 12.31 H new ATOM 262 N GLU A 431 7.155 6.989 4.323 1.00 73.13 N ATOM 263 CA GLU A 431 8.394 6.343 3.908 1.00 70.30 C ATOM 264 C GLU A 431 9.105 7.168 2.838 1.00 33.11 C ATOM 265 O GLU A 431 8.466 7.857 2.045 1.00 50.13 O ATOM 266 CB GLU A 431 8.110 4.936 3.378 1.00 64.11 C ATOM 267 CG GLU A 431 7.595 3.979 4.440 1.00 71.22 C ATOM 268 CD GLU A 431 8.608 3.725 5.539 1.00 22.50 C ATOM 269 OE1 GLU A 431 9.807 3.580 5.218 1.00 11.34 O ATOM 270 OE2 GLU A 431 8.203 3.672 6.719 1.00 63.01 O ATOM 0 H GLU A 431 6.721 7.570 3.606 1.00 73.13 H new ATOM 0 HA GLU A 431 9.045 6.270 4.779 1.00 70.30 H new ATOM 0 HB2 GLU A 431 7.378 5.001 2.573 1.00 64.11 H new ATOM 0 HB3 GLU A 431 9.024 4.528 2.946 1.00 64.11 H new ATOM 0 HG2 GLU A 431 6.684 4.385 4.878 1.00 71.22 H new ATOM 0 HG3 GLU A 431 7.328 3.032 3.971 1.00 71.22 H new ATOM 277 N ASN A 432 10.432 7.089 2.824 1.00 41.03 N ATOM 278 CA ASN A 432 11.230 7.828 1.853 1.00 63.12 C ATOM 279 C ASN A 432 12.230 6.910 1.158 1.00 74.31 C ATOM 280 O ASN A 432 13.421 6.897 1.470 1.00 0.22 O ATOM 281 CB ASN A 432 11.969 8.979 2.539 1.00 22.32 C ATOM 282 CG ASN A 432 12.095 10.199 1.647 1.00 43.12 C ATOM 283 OD1 ASN A 432 13.012 10.295 0.831 1.00 2.42 O ATOM 284 ND2 ASN A 432 11.171 11.141 1.800 1.00 72.12 N ATOM 0 H ASN A 432 10.976 6.521 3.473 1.00 41.03 H new ATOM 0 HA ASN A 432 10.555 8.235 1.101 1.00 63.12 H new ATOM 0 HB2 ASN A 432 11.441 9.253 3.452 1.00 22.32 H new ATOM 0 HB3 ASN A 432 12.963 8.644 2.834 1.00 22.32 H new ATOM 0 HD21 ASN A 432 11.204 11.985 1.229 1.00 72.12 H new ATOM 0 HD22 ASN A 432 10.428 11.020 2.489 1.00 72.12 H new ATOM 291 N PRO A 433 11.737 6.121 0.192 1.00 63.43 N ATOM 292 CA PRO A 433 12.571 5.185 -0.569 1.00 14.50 C ATOM 293 C PRO A 433 13.535 5.899 -1.508 1.00 70.22 C ATOM 294 O PRO A 433 14.735 5.624 -1.508 1.00 14.24 O ATOM 295 CB PRO A 433 11.549 4.370 -1.367 1.00 21.41 C ATOM 296 CG PRO A 433 10.366 5.266 -1.495 1.00 64.30 C ATOM 297 CD PRO A 433 10.327 6.083 -0.235 1.00 3.35 C ATOM 0 HA PRO A 433 13.205 4.581 0.081 1.00 14.50 H new ATOM 0 HB2 PRO A 433 11.942 4.091 -2.345 1.00 21.41 H new ATOM 0 HB3 PRO A 433 11.291 3.445 -0.851 1.00 21.41 H new ATOM 0 HG2 PRO A 433 10.455 5.906 -2.373 1.00 64.30 H new ATOM 0 HG3 PRO A 433 9.450 4.688 -1.614 1.00 64.30 H new ATOM 0 HD2 PRO A 433 9.935 7.084 -0.417 1.00 3.35 H new ATOM 0 HD3 PRO A 433 9.690 5.624 0.522 1.00 3.35 H new ATOM 305 N ALA A 434 13.004 6.817 -2.309 1.00 51.24 N ATOM 306 CA ALA A 434 13.819 7.572 -3.252 1.00 72.13 C ATOM 307 C ALA A 434 14.246 6.701 -4.429 1.00 3.33 C ATOM 308 O ALA A 434 13.749 6.858 -5.544 1.00 5.43 O ATOM 309 CB ALA A 434 15.039 8.151 -2.550 1.00 12.14 C ATOM 0 H ALA A 434 12.012 7.056 -2.323 1.00 51.24 H new ATOM 0 HA ALA A 434 13.215 8.392 -3.641 1.00 72.13 H new ATOM 0 HB1 ALA A 434 15.639 8.712 -3.266 1.00 12.14 H new ATOM 0 HB2 ALA A 434 14.716 8.815 -1.748 1.00 12.14 H new ATOM 0 HB3 ALA A 434 15.637 7.341 -2.132 1.00 12.14 H new ATOM 315 N LYS A 435 15.172 5.783 -4.173 1.00 52.34 N ATOM 316 CA LYS A 435 15.667 4.885 -5.211 1.00 11.32 C ATOM 317 C LYS A 435 14.673 3.759 -5.475 1.00 32.31 C ATOM 318 O LYS A 435 14.149 3.608 -6.579 1.00 31.04 O ATOM 319 CB LYS A 435 17.021 4.300 -4.804 1.00 2.15 C ATOM 320 CG LYS A 435 18.197 4.919 -5.538 1.00 31.42 C ATOM 321 CD LYS A 435 19.511 4.267 -5.139 1.00 51.34 C ATOM 322 CE LYS A 435 20.556 5.305 -4.762 1.00 52.23 C ATOM 323 NZ LYS A 435 21.918 4.911 -5.216 1.00 1.13 N ATOM 0 H LYS A 435 15.595 5.641 -3.256 1.00 52.34 H new ATOM 0 HA LYS A 435 15.788 5.461 -6.128 1.00 11.32 H new ATOM 0 HB2 LYS A 435 17.159 4.438 -3.732 1.00 2.15 H new ATOM 0 HB3 LYS A 435 17.013 3.226 -4.988 1.00 2.15 H new ATOM 0 HG2 LYS A 435 18.051 4.816 -6.613 1.00 31.42 H new ATOM 0 HG3 LYS A 435 18.240 5.987 -5.323 1.00 31.42 H new ATOM 0 HD2 LYS A 435 19.344 3.595 -4.297 1.00 51.34 H new ATOM 0 HD3 LYS A 435 19.882 3.659 -5.964 1.00 51.34 H new ATOM 0 HE2 LYS A 435 20.290 6.265 -5.204 1.00 52.23 H new ATOM 0 HE3 LYS A 435 20.559 5.441 -3.681 1.00 52.23 H new ATOM 0 HZ1 LYS A 435 22.602 5.644 -4.940 1.00 1.13 H new ATOM 0 HZ2 LYS A 435 22.183 4.007 -4.775 1.00 1.13 H new ATOM 0 HZ3 LYS A 435 21.922 4.806 -6.251 1.00 1.13 H new ATOM 337 N PRO A 436 14.404 2.951 -4.440 1.00 33.44 N ATOM 338 CA PRO A 436 13.470 1.824 -4.536 1.00 2.50 C ATOM 339 C PRO A 436 12.023 2.284 -4.679 1.00 75.21 C ATOM 340 O PRO A 436 11.733 3.481 -4.639 1.00 34.23 O ATOM 341 CB PRO A 436 13.668 1.085 -3.210 1.00 41.32 C ATOM 342 CG PRO A 436 14.168 2.124 -2.268 1.00 4.24 C ATOM 343 CD PRO A 436 14.992 3.072 -3.095 1.00 1.31 C ATOM 0 HA PRO A 436 13.662 1.208 -5.415 1.00 2.50 H new ATOM 0 HB2 PRO A 436 12.734 0.648 -2.857 1.00 41.32 H new ATOM 0 HB3 PRO A 436 14.383 0.269 -3.315 1.00 41.32 H new ATOM 0 HG2 PRO A 436 13.340 2.645 -1.786 1.00 4.24 H new ATOM 0 HG3 PRO A 436 14.767 1.676 -1.475 1.00 4.24 H new ATOM 0 HD2 PRO A 436 14.928 4.093 -2.719 1.00 1.31 H new ATOM 0 HD3 PRO A 436 16.047 2.796 -3.091 1.00 1.31 H new ATOM 351 N LEU A 437 11.118 1.326 -4.845 1.00 54.44 N ATOM 352 CA LEU A 437 9.699 1.632 -4.994 1.00 50.42 C ATOM 353 C LEU A 437 8.845 0.391 -4.752 1.00 33.31 C ATOM 354 O LEU A 437 7.786 0.227 -5.357 1.00 12.13 O ATOM 355 CB LEU A 437 9.420 2.192 -6.389 1.00 23.40 C ATOM 356 CG LEU A 437 9.989 1.389 -7.561 1.00 4.45 C ATOM 357 CD1 LEU A 437 9.021 0.294 -7.978 1.00 50.45 C ATOM 358 CD2 LEU A 437 10.299 2.306 -8.735 1.00 23.35 C ATOM 0 H LEU A 437 11.341 0.331 -4.880 1.00 54.44 H new ATOM 0 HA LEU A 437 9.436 2.383 -4.249 1.00 50.42 H new ATOM 0 HB2 LEU A 437 8.341 2.270 -6.518 1.00 23.40 H new ATOM 0 HB3 LEU A 437 9.821 3.204 -6.439 1.00 23.40 H new ATOM 0 HG LEU A 437 10.918 0.919 -7.238 1.00 4.45 H new ATOM 0 HD11 LEU A 437 9.443 -0.266 -8.812 1.00 50.45 H new ATOM 0 HD12 LEU A 437 8.850 -0.380 -7.138 1.00 50.45 H new ATOM 0 HD13 LEU A 437 8.075 0.741 -8.283 1.00 50.45 H new ATOM 0 HD21 LEU A 437 10.703 1.718 -9.559 1.00 23.35 H new ATOM 0 HD22 LEU A 437 9.385 2.805 -9.058 1.00 23.35 H new ATOM 0 HD23 LEU A 437 11.031 3.053 -8.430 1.00 23.35 H new ATOM 370 N SER A 438 9.314 -0.479 -3.863 1.00 12.15 N ATOM 371 CA SER A 438 8.595 -1.706 -3.542 1.00 73.03 C ATOM 372 C SER A 438 7.936 -1.607 -2.171 1.00 14.55 C ATOM 373 O SER A 438 8.232 -0.702 -1.391 1.00 45.01 O ATOM 374 CB SER A 438 9.546 -2.904 -3.578 1.00 0.13 C ATOM 375 OG SER A 438 10.596 -2.694 -4.507 1.00 35.15 O ATOM 0 H SER A 438 10.189 -0.357 -3.352 1.00 12.15 H new ATOM 0 HA SER A 438 7.816 -1.847 -4.291 1.00 73.03 H new ATOM 0 HB2 SER A 438 9.963 -3.071 -2.585 1.00 0.13 H new ATOM 0 HB3 SER A 438 8.993 -3.804 -3.847 1.00 0.13 H new ATOM 0 HG SER A 438 11.191 -3.473 -4.510 1.00 35.15 H new ATOM 381 N ASP A 439 7.040 -2.545 -1.882 1.00 61.24 N ATOM 382 CA ASP A 439 6.338 -2.565 -0.604 1.00 14.20 C ATOM 383 C ASP A 439 7.089 -3.417 0.415 1.00 62.12 C ATOM 384 O ASP A 439 6.551 -4.390 0.942 1.00 3.12 O ATOM 385 CB ASP A 439 4.918 -3.101 -0.787 1.00 52.42 C ATOM 386 CG ASP A 439 4.878 -4.361 -1.628 1.00 75.44 C ATOM 387 OD1 ASP A 439 5.545 -5.347 -1.252 1.00 25.50 O ATOM 388 OD2 ASP A 439 4.179 -4.362 -2.664 1.00 14.21 O ATOM 0 H ASP A 439 6.783 -3.302 -2.516 1.00 61.24 H new ATOM 0 HA ASP A 439 6.287 -1.543 -0.229 1.00 14.20 H new ATOM 0 HB2 ASP A 439 4.482 -3.306 0.191 1.00 52.42 H new ATOM 0 HB3 ASP A 439 4.301 -2.335 -1.257 1.00 52.42 H new ATOM 393 N SER A 440 8.335 -3.043 0.686 1.00 31.23 N ATOM 394 CA SER A 440 9.163 -3.776 1.638 1.00 44.40 C ATOM 395 C SER A 440 9.369 -2.965 2.914 1.00 23.02 C ATOM 396 O SER A 440 9.689 -3.514 3.968 1.00 12.52 O ATOM 397 CB SER A 440 10.517 -4.117 1.013 1.00 53.11 C ATOM 398 OG SER A 440 10.439 -5.308 0.248 1.00 13.45 O ATOM 0 H SER A 440 8.794 -2.237 0.261 1.00 31.23 H new ATOM 0 HA SER A 440 8.647 -4.701 1.894 1.00 44.40 H new ATOM 0 HB2 SER A 440 10.846 -3.294 0.378 1.00 53.11 H new ATOM 0 HB3 SER A 440 11.265 -4.233 1.798 1.00 53.11 H new ATOM 0 HG SER A 440 11.316 -5.504 -0.143 1.00 13.45 H new ATOM 404 N LYS A 441 9.185 -1.653 2.810 1.00 44.00 N ATOM 405 CA LYS A 441 9.350 -0.764 3.954 1.00 54.14 C ATOM 406 C LYS A 441 8.009 -0.495 4.631 1.00 20.24 C ATOM 407 O LYS A 441 7.861 -0.697 5.837 1.00 51.44 O ATOM 408 CB LYS A 441 9.984 0.557 3.512 1.00 10.51 C ATOM 409 CG LYS A 441 11.347 0.815 4.132 1.00 71.04 C ATOM 410 CD LYS A 441 12.310 1.426 3.128 1.00 12.21 C ATOM 411 CE LYS A 441 13.498 2.075 3.820 1.00 72.23 C ATOM 412 NZ LYS A 441 13.834 3.397 3.222 1.00 64.20 N ATOM 0 H LYS A 441 8.921 -1.182 1.945 1.00 44.00 H new ATOM 0 HA LYS A 441 10.008 -1.254 4.672 1.00 54.14 H new ATOM 0 HB2 LYS A 441 10.082 0.558 2.426 1.00 10.51 H new ATOM 0 HB3 LYS A 441 9.315 1.377 3.773 1.00 10.51 H new ATOM 0 HG2 LYS A 441 11.238 1.483 4.986 1.00 71.04 H new ATOM 0 HG3 LYS A 441 11.759 -0.121 4.510 1.00 71.04 H new ATOM 0 HD2 LYS A 441 12.663 0.654 2.444 1.00 12.21 H new ATOM 0 HD3 LYS A 441 11.787 2.170 2.527 1.00 12.21 H new ATOM 0 HE2 LYS A 441 13.276 2.202 4.880 1.00 72.23 H new ATOM 0 HE3 LYS A 441 14.363 1.415 3.752 1.00 72.23 H new ATOM 0 HZ1 LYS A 441 14.649 3.807 3.721 1.00 64.20 H new ATOM 0 HZ2 LYS A 441 14.070 3.273 2.217 1.00 64.20 H new ATOM 0 HZ3 LYS A 441 13.018 4.035 3.310 1.00 64.20 H new ATOM 426 N LEU A 442 7.037 -0.041 3.848 1.00 2.35 N ATOM 427 CA LEU A 442 5.708 0.255 4.373 1.00 54.03 C ATOM 428 C LEU A 442 5.157 -0.931 5.157 1.00 14.14 C ATOM 429 O LEU A 442 4.645 -0.772 6.267 1.00 32.52 O ATOM 430 CB LEU A 442 4.755 0.611 3.230 1.00 61.10 C ATOM 431 CG LEU A 442 4.916 -0.200 1.944 1.00 50.21 C ATOM 432 CD1 LEU A 442 3.584 -0.797 1.520 1.00 33.50 C ATOM 433 CD2 LEU A 442 5.491 0.669 0.834 1.00 2.22 C ATOM 0 H LEU A 442 7.143 0.130 2.848 1.00 2.35 H new ATOM 0 HA LEU A 442 5.792 1.107 5.048 1.00 54.03 H new ATOM 0 HB2 LEU A 442 3.732 0.490 3.586 1.00 61.10 H new ATOM 0 HB3 LEU A 442 4.887 1.666 2.989 1.00 61.10 H new ATOM 0 HG LEU A 442 5.612 -1.016 2.136 1.00 50.21 H new ATOM 0 HD11 LEU A 442 3.718 -1.371 0.603 1.00 33.50 H new ATOM 0 HD12 LEU A 442 3.212 -1.453 2.307 1.00 33.50 H new ATOM 0 HD13 LEU A 442 2.865 0.004 1.345 1.00 33.50 H new ATOM 0 HD21 LEU A 442 5.599 0.075 -0.074 1.00 2.22 H new ATOM 0 HD22 LEU A 442 4.820 1.506 0.643 1.00 2.22 H new ATOM 0 HD23 LEU A 442 6.467 1.048 1.137 1.00 2.22 H new ATOM 445 N THR A 443 5.266 -2.123 4.577 1.00 64.15 N ATOM 446 CA THR A 443 4.780 -3.336 5.222 1.00 63.35 C ATOM 447 C THR A 443 5.730 -3.791 6.323 1.00 40.41 C ATOM 448 O THR A 443 5.372 -4.618 7.161 1.00 10.05 O ATOM 449 CB THR A 443 4.604 -4.480 4.205 1.00 43.32 C ATOM 450 OG1 THR A 443 3.876 -5.558 4.804 1.00 22.54 O ATOM 451 CG2 THR A 443 5.954 -4.982 3.716 1.00 22.10 C ATOM 0 H THR A 443 5.687 -2.273 3.660 1.00 64.15 H new ATOM 0 HA THR A 443 3.811 -3.096 5.659 1.00 63.35 H new ATOM 0 HB THR A 443 4.047 -4.096 3.351 1.00 43.32 H new ATOM 0 HG1 THR A 443 4.120 -5.632 5.750 1.00 22.54 H new ATOM 0 HG21 THR A 443 5.804 -5.789 2.999 1.00 22.10 H new ATOM 0 HG22 THR A 443 6.494 -4.166 3.236 1.00 22.10 H new ATOM 0 HG23 THR A 443 6.533 -5.351 4.562 1.00 22.10 H new ATOM 459 N SER A 444 6.942 -3.245 6.317 1.00 50.14 N ATOM 460 CA SER A 444 7.945 -3.598 7.314 1.00 45.41 C ATOM 461 C SER A 444 7.495 -3.174 8.710 1.00 70.30 C ATOM 462 O SER A 444 7.456 -3.986 9.635 1.00 2.34 O ATOM 463 CB SER A 444 9.284 -2.940 6.977 1.00 31.44 C ATOM 464 OG SER A 444 10.342 -3.883 7.028 1.00 40.41 O ATOM 0 H SER A 444 7.253 -2.556 5.632 1.00 50.14 H new ATOM 0 HA SER A 444 8.067 -4.681 7.303 1.00 45.41 H new ATOM 0 HB2 SER A 444 9.235 -2.497 5.982 1.00 31.44 H new ATOM 0 HB3 SER A 444 9.481 -2.129 7.678 1.00 31.44 H new ATOM 0 HG SER A 444 11.187 -3.439 6.807 1.00 40.41 H new ATOM 470 N LEU A 445 7.157 -1.897 8.853 1.00 0.12 N ATOM 471 CA LEU A 445 6.709 -1.364 10.135 1.00 4.24 C ATOM 472 C LEU A 445 5.556 -2.189 10.696 1.00 42.01 C ATOM 473 O LEU A 445 5.525 -2.505 11.886 1.00 71.51 O ATOM 474 CB LEU A 445 6.279 0.096 9.980 1.00 20.14 C ATOM 475 CG LEU A 445 7.231 1.142 10.562 1.00 10.34 C ATOM 476 CD1 LEU A 445 7.094 2.460 9.818 1.00 24.20 C ATOM 477 CD2 LEU A 445 6.966 1.336 12.048 1.00 32.02 C ATOM 0 H LEU A 445 7.185 -1.212 8.098 1.00 0.12 H new ATOM 0 HA LEU A 445 7.543 -1.419 10.834 1.00 4.24 H new ATOM 0 HB2 LEU A 445 6.148 0.304 8.918 1.00 20.14 H new ATOM 0 HB3 LEU A 445 5.304 0.219 10.452 1.00 20.14 H new ATOM 0 HG LEU A 445 8.253 0.784 10.439 1.00 10.34 H new ATOM 0 HD11 LEU A 445 7.779 3.192 10.246 1.00 24.20 H new ATOM 0 HD12 LEU A 445 7.334 2.310 8.765 1.00 24.20 H new ATOM 0 HD13 LEU A 445 6.071 2.824 9.908 1.00 24.20 H new ATOM 0 HD21 LEU A 445 7.652 2.084 12.445 1.00 32.02 H new ATOM 0 HD22 LEU A 445 5.939 1.672 12.194 1.00 32.02 H new ATOM 0 HD23 LEU A 445 7.116 0.391 12.571 1.00 32.02 H new ATOM 489 N LEU A 446 4.610 -2.537 9.831 1.00 52.32 N ATOM 490 CA LEU A 446 3.453 -3.329 10.239 1.00 64.32 C ATOM 491 C LEU A 446 3.879 -4.723 10.685 1.00 11.51 C ATOM 492 O LEU A 446 3.263 -5.317 11.570 1.00 35.23 O ATOM 493 CB LEU A 446 2.451 -3.432 9.089 1.00 55.31 C ATOM 494 CG LEU A 446 2.160 -2.136 8.332 1.00 64.40 C ATOM 495 CD1 LEU A 446 1.225 -2.398 7.162 1.00 72.52 C ATOM 496 CD2 LEU A 446 1.568 -1.093 9.267 1.00 41.31 C ATOM 0 H LEU A 446 4.620 -2.284 8.843 1.00 52.32 H new ATOM 0 HA LEU A 446 2.978 -2.828 11.082 1.00 64.32 H new ATOM 0 HB2 LEU A 446 2.821 -4.170 8.377 1.00 55.31 H new ATOM 0 HB3 LEU A 446 1.511 -3.816 9.486 1.00 55.31 H new ATOM 0 HG LEU A 446 3.100 -1.750 7.939 1.00 64.40 H new ATOM 0 HD11 LEU A 446 1.030 -1.464 6.636 1.00 72.52 H new ATOM 0 HD12 LEU A 446 1.688 -3.110 6.478 1.00 72.52 H new ATOM 0 HD13 LEU A 446 0.286 -2.809 7.532 1.00 72.52 H new ATOM 0 HD21 LEU A 446 1.367 -0.177 8.711 1.00 41.31 H new ATOM 0 HD22 LEU A 446 0.638 -1.471 9.691 1.00 41.31 H new ATOM 0 HD23 LEU A 446 2.274 -0.882 10.070 1.00 41.31 H new ATOM 508 N SER A 447 4.938 -5.240 10.068 1.00 41.41 N ATOM 509 CA SER A 447 5.445 -6.565 10.401 1.00 33.14 C ATOM 510 C SER A 447 6.109 -6.564 11.775 1.00 34.23 C ATOM 511 O SER A 447 6.343 -7.619 12.363 1.00 22.01 O ATOM 512 CB SER A 447 6.442 -7.034 9.341 1.00 24.45 C ATOM 513 OG SER A 447 5.979 -8.199 8.683 1.00 75.14 O ATOM 0 H SER A 447 5.461 -4.760 9.335 1.00 41.41 H new ATOM 0 HA SER A 447 4.601 -7.254 10.425 1.00 33.14 H new ATOM 0 HB2 SER A 447 6.602 -6.240 8.611 1.00 24.45 H new ATOM 0 HB3 SER A 447 7.406 -7.236 9.808 1.00 24.45 H new ATOM 0 HG SER A 447 5.011 -8.285 8.813 1.00 75.14 H new ATOM 519 N GLU A 448 6.409 -5.372 12.279 1.00 5.41 N ATOM 520 CA GLU A 448 7.047 -5.232 13.584 1.00 72.14 C ATOM 521 C GLU A 448 6.212 -5.902 14.671 1.00 75.32 C ATOM 522 O GLU A 448 6.729 -6.271 15.725 1.00 31.02 O ATOM 523 CB GLU A 448 7.252 -3.754 13.921 1.00 74.25 C ATOM 524 CG GLU A 448 8.169 -3.030 12.949 1.00 62.30 C ATOM 525 CD GLU A 448 9.606 -2.980 13.431 1.00 51.04 C ATOM 526 OE1 GLU A 448 10.112 -4.024 13.895 1.00 24.23 O ATOM 527 OE2 GLU A 448 10.224 -1.899 13.344 1.00 21.11 O ATOM 0 H GLU A 448 6.221 -4.489 11.804 1.00 5.41 H new ATOM 0 HA GLU A 448 8.018 -5.724 13.540 1.00 72.14 H new ATOM 0 HB2 GLU A 448 6.283 -3.255 13.934 1.00 74.25 H new ATOM 0 HB3 GLU A 448 7.665 -3.673 14.926 1.00 74.25 H new ATOM 0 HG2 GLU A 448 8.132 -3.528 11.980 1.00 62.30 H new ATOM 0 HG3 GLU A 448 7.804 -2.014 12.799 1.00 62.30 H new ATOM 534 N GLN A 449 4.918 -6.055 14.406 1.00 0.52 N ATOM 535 CA GLN A 449 4.011 -6.678 15.364 1.00 62.53 C ATOM 536 C GLN A 449 3.564 -8.052 14.874 1.00 64.12 C ATOM 537 O GLN A 449 3.397 -8.980 15.665 1.00 23.31 O ATOM 538 CB GLN A 449 2.791 -5.786 15.599 1.00 61.23 C ATOM 539 CG GLN A 449 2.865 -4.451 14.873 1.00 12.32 C ATOM 540 CD GLN A 449 3.939 -3.540 15.436 1.00 53.22 C ATOM 541 OE1 GLN A 449 4.752 -3.956 16.262 1.00 53.23 O ATOM 542 NE2 GLN A 449 3.948 -2.290 14.990 1.00 41.43 N ATOM 0 H GLN A 449 4.475 -5.757 13.537 1.00 0.52 H new ATOM 0 HA GLN A 449 4.547 -6.803 16.305 1.00 62.53 H new ATOM 0 HB2 GLN A 449 1.895 -6.317 15.276 1.00 61.23 H new ATOM 0 HB3 GLN A 449 2.685 -5.603 16.668 1.00 61.23 H new ATOM 0 HG2 GLN A 449 3.061 -4.627 13.815 1.00 12.32 H new ATOM 0 HG3 GLN A 449 1.898 -3.951 14.939 1.00 12.32 H new ATOM 0 HE21 GLN A 449 3.255 -1.988 14.305 1.00 41.43 H new ATOM 0 HE22 GLN A 449 4.648 -1.631 15.332 1.00 41.43 H new ATOM 551 N GLY A 450 3.372 -8.174 13.563 1.00 14.43 N ATOM 552 CA GLY A 450 2.945 -9.438 12.991 1.00 0.24 C ATOM 553 C GLY A 450 2.244 -9.264 11.660 1.00 52.22 C ATOM 554 O GLY A 450 2.129 -10.213 10.882 1.00 4.22 O ATOM 0 H GLY A 450 3.504 -7.421 12.888 1.00 14.43 H new ATOM 0 HA2 GLY A 450 3.812 -10.085 12.860 1.00 0.24 H new ATOM 0 HA3 GLY A 450 2.275 -9.941 13.688 1.00 0.24 H new ATOM 558 N ILE A 451 1.771 -8.051 11.396 1.00 4.41 N ATOM 559 CA ILE A 451 1.075 -7.756 10.150 1.00 74.21 C ATOM 560 C ILE A 451 1.889 -8.216 8.945 1.00 64.33 C ATOM 561 O ILE A 451 3.119 -8.221 8.979 1.00 3.12 O ATOM 562 CB ILE A 451 0.780 -6.251 10.011 1.00 14.44 C ATOM 563 CG1 ILE A 451 0.018 -5.744 11.238 1.00 22.21 C ATOM 564 CG2 ILE A 451 -0.012 -5.982 8.740 1.00 61.11 C ATOM 565 CD1 ILE A 451 -1.277 -6.484 11.493 1.00 61.51 C ATOM 0 H ILE A 451 1.857 -7.256 12.029 1.00 4.41 H new ATOM 0 HA ILE A 451 0.131 -8.301 10.179 1.00 74.21 H new ATOM 0 HB ILE A 451 1.726 -5.714 9.946 1.00 14.44 H new ATOM 0 HG12 ILE A 451 0.658 -5.834 12.116 1.00 22.21 H new ATOM 0 HG13 ILE A 451 -0.198 -4.683 11.109 1.00 22.21 H new ATOM 0 HG21 ILE A 451 -0.213 -4.914 8.656 1.00 61.11 H new ATOM 0 HG22 ILE A 451 0.564 -6.312 7.876 1.00 61.11 H new ATOM 0 HG23 ILE A 451 -0.955 -6.527 8.777 1.00 61.11 H new ATOM 0 HD11 ILE A 451 -1.763 -6.072 12.377 1.00 61.51 H new ATOM 0 HD12 ILE A 451 -1.935 -6.373 10.632 1.00 61.51 H new ATOM 0 HD13 ILE A 451 -1.066 -7.541 11.654 1.00 61.51 H new ATOM 577 N MET A 452 1.194 -8.601 7.879 1.00 4.41 N ATOM 578 CA MET A 452 1.853 -9.058 6.662 1.00 75.33 C ATOM 579 C MET A 452 0.859 -9.153 5.508 1.00 50.31 C ATOM 580 O MET A 452 0.449 -10.246 5.117 1.00 50.22 O ATOM 581 CB MET A 452 2.512 -10.419 6.894 1.00 1.33 C ATOM 582 CG MET A 452 1.564 -11.466 7.458 1.00 23.21 C ATOM 583 SD MET A 452 2.320 -12.459 8.759 1.00 65.20 S ATOM 584 CE MET A 452 3.700 -13.182 7.874 1.00 11.12 C ATOM 0 H MET A 452 0.175 -8.605 7.834 1.00 4.41 H new ATOM 0 HA MET A 452 2.620 -8.330 6.399 1.00 75.33 H new ATOM 0 HB2 MET A 452 2.920 -10.781 5.950 1.00 1.33 H new ATOM 0 HB3 MET A 452 3.352 -10.295 7.578 1.00 1.33 H new ATOM 0 HG2 MET A 452 0.676 -10.972 7.853 1.00 23.21 H new ATOM 0 HG3 MET A 452 1.232 -12.121 6.653 1.00 23.21 H new ATOM 0 HE1 MET A 452 4.171 -13.944 8.495 1.00 11.12 H new ATOM 0 HE2 MET A 452 3.342 -13.637 6.950 1.00 11.12 H new ATOM 0 HE3 MET A 452 4.428 -12.406 7.638 1.00 11.12 H new ATOM 594 N VAL A 453 0.474 -8.001 4.968 1.00 20.12 N ATOM 595 CA VAL A 453 -0.471 -7.954 3.860 1.00 71.44 C ATOM 596 C VAL A 453 -0.026 -6.953 2.800 1.00 24.51 C ATOM 597 O VAL A 453 -0.084 -7.233 1.603 1.00 74.11 O ATOM 598 CB VAL A 453 -1.885 -7.578 4.342 1.00 13.23 C ATOM 599 CG1 VAL A 453 -2.611 -8.804 4.873 1.00 33.00 C ATOM 600 CG2 VAL A 453 -1.813 -6.490 5.403 1.00 71.15 C ATOM 0 H VAL A 453 0.803 -7.087 5.281 1.00 20.12 H new ATOM 0 HA VAL A 453 -0.497 -8.953 3.425 1.00 71.44 H new ATOM 0 HB VAL A 453 -2.449 -7.190 3.494 1.00 13.23 H new ATOM 0 HG11 VAL A 453 -3.608 -8.519 5.209 1.00 33.00 H new ATOM 0 HG12 VAL A 453 -2.694 -9.549 4.082 1.00 33.00 H new ATOM 0 HG13 VAL A 453 -2.052 -9.224 5.710 1.00 33.00 H new ATOM 0 HG21 VAL A 453 -2.820 -6.236 5.733 1.00 71.15 H new ATOM 0 HG22 VAL A 453 -1.233 -6.849 6.253 1.00 71.15 H new ATOM 0 HG23 VAL A 453 -1.334 -5.605 4.984 1.00 71.15 H new ATOM 610 N ALA A 454 0.421 -5.784 3.247 1.00 62.11 N ATOM 611 CA ALA A 454 0.879 -4.742 2.338 1.00 63.11 C ATOM 612 C ALA A 454 1.866 -5.299 1.317 1.00 74.30 C ATOM 613 O ALA A 454 1.966 -4.796 0.198 1.00 22.11 O ATOM 614 CB ALA A 454 1.513 -3.600 3.119 1.00 31.13 C ATOM 0 H ALA A 454 0.475 -5.535 4.235 1.00 62.11 H new ATOM 0 HA ALA A 454 0.013 -4.360 1.797 1.00 63.11 H new ATOM 0 HB1 ALA A 454 1.850 -2.829 2.426 1.00 31.13 H new ATOM 0 HB2 ALA A 454 0.779 -3.176 3.804 1.00 31.13 H new ATOM 0 HB3 ALA A 454 2.364 -3.976 3.686 1.00 31.13 H new ATOM 620 N ARG A 455 2.593 -6.340 1.711 1.00 60.53 N ATOM 621 CA ARG A 455 3.573 -6.964 0.829 1.00 2.34 C ATOM 622 C ARG A 455 2.958 -7.278 -0.531 1.00 22.41 C ATOM 623 O ARG A 455 3.355 -6.709 -1.548 1.00 61.13 O ATOM 624 CB ARG A 455 4.117 -8.246 1.464 1.00 43.21 C ATOM 625 CG ARG A 455 5.508 -8.621 0.981 1.00 1.23 C ATOM 626 CD ARG A 455 5.473 -9.844 0.078 1.00 61.30 C ATOM 627 NE ARG A 455 6.814 -10.318 -0.254 1.00 10.22 N ATOM 628 CZ ARG A 455 7.619 -10.915 0.618 1.00 15.21 C ATOM 629 NH1 ARG A 455 7.220 -11.109 1.868 1.00 1.34 N ATOM 630 NH2 ARG A 455 8.824 -11.319 0.242 1.00 24.21 N ATOM 0 H ARG A 455 2.522 -6.769 2.634 1.00 60.53 H new ATOM 0 HA ARG A 455 4.394 -6.262 0.683 1.00 2.34 H new ATOM 0 HB2 ARG A 455 4.138 -8.125 2.547 1.00 43.21 H new ATOM 0 HB3 ARG A 455 3.433 -9.067 1.249 1.00 43.21 H new ATOM 0 HG2 ARG A 455 5.946 -7.781 0.441 1.00 1.23 H new ATOM 0 HG3 ARG A 455 6.151 -8.819 1.839 1.00 1.23 H new ATOM 0 HD2 ARG A 455 4.918 -10.642 0.571 1.00 61.30 H new ATOM 0 HD3 ARG A 455 4.937 -9.602 -0.839 1.00 61.30 H new ATOM 0 HE ARG A 455 7.151 -10.183 -1.207 1.00 10.22 H new ATOM 0 HH11 ARG A 455 6.293 -10.800 2.161 1.00 1.34 H new ATOM 0 HH12 ARG A 455 7.840 -11.568 2.536 1.00 1.34 H new ATOM 0 HH21 ARG A 455 9.135 -11.172 -0.718 1.00 24.21 H new ATOM 0 HH22 ARG A 455 9.441 -11.777 0.913 1.00 24.21 H new ATOM 644 N ARG A 456 1.991 -8.188 -0.542 1.00 14.53 N ATOM 645 CA ARG A 456 1.323 -8.580 -1.778 1.00 3.13 C ATOM 646 C ARG A 456 0.172 -7.631 -2.098 1.00 2.21 C ATOM 647 O ARG A 456 -0.134 -7.379 -3.264 1.00 71.11 O ATOM 648 CB ARG A 456 0.801 -10.013 -1.669 1.00 13.40 C ATOM 649 CG ARG A 456 0.443 -10.636 -3.008 1.00 64.04 C ATOM 650 CD ARG A 456 -1.000 -10.344 -3.390 1.00 30.50 C ATOM 651 NE ARG A 456 -1.840 -11.535 -3.303 1.00 51.24 N ATOM 652 CZ ARG A 456 -3.164 -11.494 -3.196 1.00 61.43 C ATOM 653 NH1 ARG A 456 -3.794 -10.328 -3.166 1.00 1.51 N ATOM 654 NH2 ARG A 456 -3.860 -12.621 -3.122 1.00 1.20 N ATOM 0 H ARG A 456 1.652 -8.669 0.291 1.00 14.53 H new ATOM 0 HA ARG A 456 2.051 -8.527 -2.587 1.00 3.13 H new ATOM 0 HB2 ARG A 456 1.556 -10.629 -1.182 1.00 13.40 H new ATOM 0 HB3 ARG A 456 -0.080 -10.022 -1.027 1.00 13.40 H new ATOM 0 HG2 ARG A 456 1.110 -10.251 -3.780 1.00 64.04 H new ATOM 0 HG3 ARG A 456 0.597 -11.714 -2.962 1.00 64.04 H new ATOM 0 HD2 ARG A 456 -1.399 -9.570 -2.734 1.00 30.50 H new ATOM 0 HD3 ARG A 456 -1.034 -9.950 -4.406 1.00 30.50 H new ATOM 0 HE ARG A 456 -1.386 -12.448 -3.326 1.00 51.24 H new ATOM 0 HH11 ARG A 456 -3.262 -9.459 -3.225 1.00 1.51 H new ATOM 0 HH12 ARG A 456 -4.810 -10.299 -3.084 1.00 1.51 H new ATOM 0 HH21 ARG A 456 -3.379 -13.520 -3.147 1.00 1.20 H new ATOM 0 HH22 ARG A 456 -4.876 -12.588 -3.040 1.00 1.20 H new ATOM 668 N THR A 457 -0.463 -7.105 -1.055 1.00 31.22 N ATOM 669 CA THR A 457 -1.581 -6.185 -1.224 1.00 63.52 C ATOM 670 C THR A 457 -1.160 -4.948 -2.010 1.00 52.20 C ATOM 671 O THR A 457 -1.734 -4.638 -3.054 1.00 33.05 O ATOM 672 CB THR A 457 -2.157 -5.745 0.134 1.00 51.22 C ATOM 673 OG1 THR A 457 -2.836 -6.842 0.757 1.00 71.24 O ATOM 674 CG2 THR A 457 -3.118 -4.579 -0.038 1.00 73.14 C ATOM 0 H THR A 457 -0.222 -7.301 -0.083 1.00 31.22 H new ATOM 0 HA THR A 457 -2.351 -6.721 -1.779 1.00 63.52 H new ATOM 0 HB THR A 457 -1.330 -5.423 0.767 1.00 51.22 H new ATOM 0 HG1 THR A 457 -2.192 -7.380 1.264 1.00 71.24 H new ATOM 0 HG21 THR A 457 -3.512 -4.286 0.935 1.00 73.14 H new ATOM 0 HG22 THR A 457 -2.591 -3.736 -0.485 1.00 73.14 H new ATOM 0 HG23 THR A 457 -3.941 -4.878 -0.687 1.00 73.14 H new ATOM 682 N VAL A 458 -0.154 -4.244 -1.501 1.00 71.33 N ATOM 683 CA VAL A 458 0.345 -3.040 -2.158 1.00 14.25 C ATOM 684 C VAL A 458 0.831 -3.346 -3.569 1.00 23.50 C ATOM 685 O VAL A 458 0.486 -2.644 -4.520 1.00 74.11 O ATOM 686 CB VAL A 458 1.496 -2.402 -1.357 1.00 44.14 C ATOM 687 CG1 VAL A 458 2.019 -1.163 -2.070 1.00 32.44 C ATOM 688 CG2 VAL A 458 1.038 -2.062 0.054 1.00 25.43 C ATOM 0 H VAL A 458 0.331 -4.486 -0.637 1.00 71.33 H new ATOM 0 HA VAL A 458 -0.487 -2.337 -2.208 1.00 14.25 H new ATOM 0 HB VAL A 458 2.311 -3.123 -1.286 1.00 44.14 H new ATOM 0 HG11 VAL A 458 2.832 -0.725 -1.490 1.00 32.44 H new ATOM 0 HG12 VAL A 458 2.387 -1.440 -3.058 1.00 32.44 H new ATOM 0 HG13 VAL A 458 1.214 -0.435 -2.173 1.00 32.44 H new ATOM 0 HG21 VAL A 458 1.863 -1.612 0.606 1.00 25.43 H new ATOM 0 HG22 VAL A 458 0.207 -1.359 0.007 1.00 25.43 H new ATOM 0 HG23 VAL A 458 0.715 -2.971 0.561 1.00 25.43 H new ATOM 698 N ALA A 459 1.634 -4.396 -3.700 1.00 53.30 N ATOM 699 CA ALA A 459 2.165 -4.796 -4.997 1.00 1.15 C ATOM 700 C ALA A 459 1.043 -5.162 -5.961 1.00 13.41 C ATOM 701 O ALA A 459 1.225 -5.146 -7.178 1.00 60.01 O ATOM 702 CB ALA A 459 3.127 -5.965 -4.835 1.00 52.35 C ATOM 0 H ALA A 459 1.932 -4.986 -2.923 1.00 53.30 H new ATOM 0 HA ALA A 459 2.707 -3.949 -5.417 1.00 1.15 H new ATOM 0 HB1 ALA A 459 3.516 -6.254 -5.811 1.00 52.35 H new ATOM 0 HB2 ALA A 459 3.953 -5.670 -4.188 1.00 52.35 H new ATOM 0 HB3 ALA A 459 2.601 -6.810 -4.390 1.00 52.35 H new ATOM 708 N LYS A 460 -0.120 -5.493 -5.410 1.00 45.45 N ATOM 709 CA LYS A 460 -1.274 -5.862 -6.221 1.00 41.33 C ATOM 710 C LYS A 460 -1.926 -4.627 -6.835 1.00 43.30 C ATOM 711 O LYS A 460 -2.572 -4.709 -7.879 1.00 44.03 O ATOM 712 CB LYS A 460 -2.298 -6.621 -5.372 1.00 64.44 C ATOM 713 CG LYS A 460 -2.379 -8.102 -5.701 1.00 2.45 C ATOM 714 CD LYS A 460 -3.037 -8.339 -7.049 1.00 62.42 C ATOM 715 CE LYS A 460 -3.156 -9.824 -7.358 1.00 12.04 C ATOM 716 NZ LYS A 460 -4.573 -10.281 -7.351 1.00 65.11 N ATOM 0 H LYS A 460 -0.288 -5.513 -4.404 1.00 45.45 H new ATOM 0 HA LYS A 460 -0.927 -6.508 -7.028 1.00 41.33 H new ATOM 0 HB2 LYS A 460 -2.043 -6.504 -4.319 1.00 64.44 H new ATOM 0 HB3 LYS A 460 -3.281 -6.171 -5.514 1.00 64.44 H new ATOM 0 HG2 LYS A 460 -1.377 -8.530 -5.704 1.00 2.45 H new ATOM 0 HG3 LYS A 460 -2.943 -8.618 -4.924 1.00 2.45 H new ATOM 0 HD2 LYS A 460 -4.028 -7.884 -7.056 1.00 62.42 H new ATOM 0 HD3 LYS A 460 -2.455 -7.849 -7.830 1.00 62.42 H new ATOM 0 HE2 LYS A 460 -2.713 -10.028 -8.333 1.00 12.04 H new ATOM 0 HE3 LYS A 460 -2.587 -10.394 -6.624 1.00 12.04 H new ATOM 0 HZ1 LYS A 460 -4.611 -11.298 -7.566 1.00 65.11 H new ATOM 0 HZ2 LYS A 460 -4.988 -10.110 -6.413 1.00 65.11 H new ATOM 0 HZ3 LYS A 460 -5.111 -9.755 -8.069 1.00 65.11 H new ATOM 730 N TYR A 461 -1.749 -3.483 -6.182 1.00 13.33 N ATOM 731 CA TYR A 461 -2.320 -2.231 -6.663 1.00 62.42 C ATOM 732 C TYR A 461 -1.444 -1.615 -7.751 1.00 12.33 C ATOM 733 O TYR A 461 -1.945 -1.054 -8.724 1.00 51.41 O ATOM 734 CB TYR A 461 -2.488 -1.243 -5.508 1.00 34.43 C ATOM 735 CG TYR A 461 -3.664 -1.557 -4.610 1.00 65.24 C ATOM 736 CD1 TYR A 461 -4.966 -1.484 -5.089 1.00 10.31 C ATOM 737 CD2 TYR A 461 -3.473 -1.923 -3.283 1.00 73.52 C ATOM 738 CE1 TYR A 461 -6.044 -1.768 -4.272 1.00 22.52 C ATOM 739 CE2 TYR A 461 -4.544 -2.210 -2.460 1.00 54.05 C ATOM 740 CZ TYR A 461 -5.828 -2.131 -2.959 1.00 24.12 C ATOM 741 OH TYR A 461 -6.898 -2.414 -2.142 1.00 75.22 O ATOM 0 H TYR A 461 -1.214 -3.398 -5.318 1.00 13.33 H new ATOM 0 HA TYR A 461 -3.299 -2.449 -7.089 1.00 62.42 H new ATOM 0 HB2 TYR A 461 -1.576 -1.237 -4.910 1.00 34.43 H new ATOM 0 HB3 TYR A 461 -2.610 -0.239 -5.914 1.00 34.43 H new ATOM 0 HD1 TYR A 461 -5.139 -1.201 -6.117 1.00 10.31 H new ATOM 0 HD2 TYR A 461 -2.469 -1.984 -2.889 1.00 73.52 H new ATOM 0 HE1 TYR A 461 -7.050 -1.706 -4.660 1.00 22.52 H new ATOM 0 HE2 TYR A 461 -4.378 -2.495 -1.432 1.00 54.05 H new ATOM 0 HH TYR A 461 -6.573 -2.654 -1.249 1.00 75.22 H new ATOM 751 N ARG A 462 -0.131 -1.726 -7.575 1.00 62.14 N ATOM 752 CA ARG A 462 0.817 -1.180 -8.540 1.00 71.40 C ATOM 753 C ARG A 462 0.692 -1.888 -9.885 1.00 74.55 C ATOM 754 O ARG A 462 1.105 -1.358 -10.917 1.00 32.35 O ATOM 755 CB ARG A 462 2.247 -1.313 -8.012 1.00 40.15 C ATOM 756 CG ARG A 462 2.796 -2.728 -8.089 1.00 74.24 C ATOM 757 CD ARG A 462 3.945 -2.827 -9.079 1.00 65.41 C ATOM 758 NE ARG A 462 5.245 -2.785 -8.414 1.00 62.23 N ATOM 759 CZ ARG A 462 5.779 -3.821 -7.779 1.00 30.43 C ATOM 760 NH1 ARG A 462 5.129 -4.975 -7.723 1.00 12.14 N ATOM 761 NH2 ARG A 462 6.966 -3.705 -7.198 1.00 65.30 N ATOM 0 H ARG A 462 0.300 -2.188 -6.775 1.00 62.14 H new ATOM 0 HA ARG A 462 0.586 -0.124 -8.682 1.00 71.40 H new ATOM 0 HB2 ARG A 462 2.898 -0.648 -8.580 1.00 40.15 H new ATOM 0 HB3 ARG A 462 2.275 -0.977 -6.975 1.00 40.15 H new ATOM 0 HG2 ARG A 462 3.137 -3.041 -7.102 1.00 74.24 H new ATOM 0 HG3 ARG A 462 2.001 -3.412 -8.384 1.00 74.24 H new ATOM 0 HD2 ARG A 462 3.857 -3.754 -9.645 1.00 65.41 H new ATOM 0 HD3 ARG A 462 3.878 -2.009 -9.796 1.00 65.41 H new ATOM 0 HE ARG A 462 5.771 -1.912 -8.439 1.00 62.23 H new ATOM 0 HH11 ARG A 462 4.216 -5.068 -8.169 1.00 12.14 H new ATOM 0 HH12 ARG A 462 5.542 -5.770 -7.234 1.00 12.14 H new ATOM 0 HH21 ARG A 462 7.469 -2.819 -7.239 1.00 65.30 H new ATOM 0 HH22 ARG A 462 7.375 -4.502 -6.710 1.00 65.30 H new ATOM 775 N GLU A 463 0.119 -3.087 -9.867 1.00 53.43 N ATOM 776 CA GLU A 463 -0.059 -3.868 -11.085 1.00 61.54 C ATOM 777 C GLU A 463 -0.938 -3.122 -12.085 1.00 41.24 C ATOM 778 O GLU A 463 -0.832 -3.327 -13.295 1.00 23.20 O ATOM 779 CB GLU A 463 -0.679 -5.229 -10.761 1.00 23.32 C ATOM 780 CG GLU A 463 0.309 -6.222 -10.171 1.00 43.41 C ATOM 781 CD GLU A 463 -0.005 -7.654 -10.556 1.00 15.24 C ATOM 782 OE1 GLU A 463 -1.163 -7.928 -10.936 1.00 1.23 O ATOM 783 OE2 GLU A 463 0.908 -8.503 -10.476 1.00 44.25 O ATOM 0 H GLU A 463 -0.230 -3.539 -9.022 1.00 53.43 H new ATOM 0 HA GLU A 463 0.923 -4.022 -11.533 1.00 61.54 H new ATOM 0 HB2 GLU A 463 -1.501 -5.087 -10.060 1.00 23.32 H new ATOM 0 HB3 GLU A 463 -1.106 -5.651 -11.671 1.00 23.32 H new ATOM 0 HG2 GLU A 463 1.315 -5.971 -10.507 1.00 43.41 H new ATOM 0 HG3 GLU A 463 0.304 -6.132 -9.085 1.00 43.41 H new ATOM 790 N SER A 464 -1.806 -2.257 -11.571 1.00 1.00 N ATOM 791 CA SER A 464 -2.707 -1.483 -12.418 1.00 55.43 C ATOM 792 C SER A 464 -3.401 -0.388 -11.613 1.00 73.35 C ATOM 793 O SER A 464 -4.589 -0.490 -11.300 1.00 63.01 O ATOM 794 CB SER A 464 -3.751 -2.401 -13.059 1.00 41.42 C ATOM 795 OG SER A 464 -4.657 -1.660 -13.859 1.00 55.22 O ATOM 0 H SER A 464 -1.905 -2.074 -10.572 1.00 1.00 H new ATOM 0 HA SER A 464 -2.115 -1.013 -13.204 1.00 55.43 H new ATOM 0 HB2 SER A 464 -3.252 -3.154 -13.670 1.00 41.42 H new ATOM 0 HB3 SER A 464 -4.299 -2.933 -12.281 1.00 41.42 H new ATOM 0 HG SER A 464 -5.313 -2.268 -14.259 1.00 55.22 H new ATOM 801 N LEU A 465 -2.654 0.658 -11.283 1.00 24.35 N ATOM 802 CA LEU A 465 -3.195 1.775 -10.516 1.00 54.00 C ATOM 803 C LEU A 465 -3.677 2.888 -11.440 1.00 0.04 C ATOM 804 O LEU A 465 -4.134 3.935 -10.981 1.00 73.43 O ATOM 805 CB LEU A 465 -2.139 2.317 -9.552 1.00 10.21 C ATOM 806 CG LEU A 465 -0.697 2.303 -10.059 1.00 43.01 C ATOM 807 CD1 LEU A 465 -0.598 3.000 -11.408 1.00 15.41 C ATOM 808 CD2 LEU A 465 0.231 2.961 -9.048 1.00 31.21 C ATOM 0 H LEU A 465 -1.670 0.757 -11.534 1.00 24.35 H new ATOM 0 HA LEU A 465 -4.047 1.410 -9.943 1.00 54.00 H new ATOM 0 HB2 LEU A 465 -2.403 3.343 -9.295 1.00 10.21 H new ATOM 0 HB3 LEU A 465 -2.185 1.736 -8.631 1.00 10.21 H new ATOM 0 HG LEU A 465 -0.387 1.266 -10.185 1.00 43.01 H new ATOM 0 HD11 LEU A 465 0.436 2.980 -11.753 1.00 15.41 H new ATOM 0 HD12 LEU A 465 -1.232 2.486 -12.131 1.00 15.41 H new ATOM 0 HD13 LEU A 465 -0.927 4.034 -11.308 1.00 15.41 H new ATOM 0 HD21 LEU A 465 1.253 2.942 -9.426 1.00 31.21 H new ATOM 0 HD22 LEU A 465 -0.078 3.994 -8.889 1.00 31.21 H new ATOM 0 HD23 LEU A 465 0.183 2.419 -8.104 1.00 31.21 H new