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= 0.0533 USER MOD Single : A 417 SER OG : rot 102:sc= 1.37 USER MOD Single : A 418 THR OG1 : rot 180:sc= 0.0176 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= -0.0203 X(o=-0.02,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= 0.0925 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 -51:sc= 0.206 USER MOD Single : A 444 SER OG : rot 180:sc= 0 USER MOD Single : A 447 SER OG : rot 180:sc= -0.495 USER MOD Single : A 449 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 452 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 82:sc= 0.239 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= -0.0234 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 414 -17.537 -0.944 -3.327 1.00 31.43 N ATOM 2 CA GLU A 414 -17.055 -0.853 -4.700 1.00 43.24 C ATOM 3 C GLU A 414 -16.515 0.545 -4.994 1.00 22.51 C ATOM 4 O GLU A 414 -15.579 0.707 -5.778 1.00 0.31 O ATOM 5 CB GLU A 414 -18.177 -1.194 -5.682 1.00 71.52 C ATOM 6 CG GLU A 414 -19.432 -0.360 -5.487 1.00 52.30 C ATOM 7 CD GLU A 414 -20.577 -0.812 -6.372 1.00 60.11 C ATOM 8 OE1 GLU A 414 -20.392 -1.790 -7.126 1.00 34.52 O ATOM 9 OE2 GLU A 414 -21.658 -0.189 -6.310 1.00 21.42 O ATOM 0 HA GLU A 414 -16.245 -1.572 -4.822 1.00 43.24 H new ATOM 0 HB2 GLU A 414 -17.813 -1.054 -6.700 1.00 71.52 H new ATOM 0 HB3 GLU A 414 -18.432 -2.249 -5.577 1.00 71.52 H new ATOM 0 HG2 GLU A 414 -19.741 -0.415 -4.443 1.00 52.30 H new ATOM 0 HG3 GLU A 414 -19.205 0.685 -5.698 1.00 52.30 H new ATOM 16 N ALA A 415 -17.111 1.549 -4.362 1.00 14.22 N ATOM 17 CA ALA A 415 -16.690 2.931 -4.553 1.00 61.33 C ATOM 18 C ALA A 415 -15.411 3.228 -3.777 1.00 1.02 C ATOM 19 O ALA A 415 -14.843 4.314 -3.891 1.00 23.40 O ATOM 20 CB ALA A 415 -17.798 3.884 -4.132 1.00 52.12 C ATOM 0 H ALA A 415 -17.888 1.431 -3.712 1.00 14.22 H new ATOM 0 HA ALA A 415 -16.483 3.078 -5.613 1.00 61.33 H new ATOM 0 HB1 ALA A 415 -17.469 4.913 -4.280 1.00 52.12 H new ATOM 0 HB2 ALA A 415 -18.687 3.697 -4.734 1.00 52.12 H new ATOM 0 HB3 ALA A 415 -18.033 3.726 -3.079 1.00 52.12 H new ATOM 26 N SER A 416 -14.965 2.257 -2.987 1.00 20.21 N ATOM 27 CA SER A 416 -13.756 2.416 -2.189 1.00 24.04 C ATOM 28 C SER A 416 -12.513 2.092 -3.013 1.00 14.32 C ATOM 29 O SER A 416 -11.410 2.531 -2.691 1.00 25.15 O ATOM 30 CB SER A 416 -13.812 1.514 -0.953 1.00 62.54 C ATOM 31 OG SER A 416 -15.100 0.946 -0.796 1.00 21.20 O ATOM 0 H SER A 416 -15.423 1.352 -2.883 1.00 20.21 H new ATOM 0 HA SER A 416 -13.697 3.456 -1.869 1.00 24.04 H new ATOM 0 HB2 SER A 416 -13.070 0.721 -1.043 1.00 62.54 H new ATOM 0 HB3 SER A 416 -13.555 2.092 -0.065 1.00 62.54 H new ATOM 0 HG SER A 416 -15.110 0.373 -0.001 1.00 21.20 H new ATOM 37 N SER A 417 -12.702 1.321 -4.079 1.00 12.14 N ATOM 38 CA SER A 417 -11.597 0.933 -4.948 1.00 53.14 C ATOM 39 C SER A 417 -10.810 2.157 -5.403 1.00 43.50 C ATOM 40 O SER A 417 -9.578 2.142 -5.437 1.00 51.31 O ATOM 41 CB SER A 417 -12.122 0.169 -6.165 1.00 12.14 C ATOM 42 OG SER A 417 -13.287 -0.570 -5.840 1.00 24.01 O ATOM 0 H SER A 417 -13.610 0.953 -4.362 1.00 12.14 H new ATOM 0 HA SER A 417 -10.930 0.284 -4.380 1.00 53.14 H new ATOM 0 HB2 SER A 417 -12.345 0.870 -6.970 1.00 12.14 H new ATOM 0 HB3 SER A 417 -11.351 -0.506 -6.535 1.00 12.14 H new ATOM 0 HG SER A 417 -14.079 -0.093 -6.166 1.00 24.01 H new ATOM 48 N THR A 418 -11.528 3.221 -5.752 1.00 73.40 N ATOM 49 CA THR A 418 -10.899 4.453 -6.207 1.00 23.31 C ATOM 50 C THR A 418 -10.230 5.187 -5.051 1.00 12.50 C ATOM 51 O THR A 418 -9.290 5.956 -5.251 1.00 63.35 O ATOM 52 CB THR A 418 -11.920 5.393 -6.874 1.00 74.44 C ATOM 53 OG1 THR A 418 -12.976 4.628 -7.467 1.00 34.14 O ATOM 54 CG2 THR A 418 -11.252 6.252 -7.937 1.00 61.24 C ATOM 0 H THR A 418 -12.547 3.253 -5.728 1.00 73.40 H new ATOM 0 HA THR A 418 -10.144 4.170 -6.941 1.00 23.31 H new ATOM 0 HB THR A 418 -12.332 6.048 -6.106 1.00 74.44 H new ATOM 0 HG1 THR A 418 -13.622 5.233 -7.888 1.00 34.14 H new ATOM 0 HG21 THR A 418 -11.993 6.908 -8.394 1.00 61.24 H new ATOM 0 HG22 THR A 418 -10.468 6.855 -7.478 1.00 61.24 H new ATOM 0 HG23 THR A 418 -10.815 5.610 -8.702 1.00 61.24 H new ATOM 62 N ALA A 419 -10.720 4.945 -3.839 1.00 43.02 N ATOM 63 CA ALA A 419 -10.167 5.582 -2.650 1.00 72.21 C ATOM 64 C ALA A 419 -8.805 4.996 -2.297 1.00 3.10 C ATOM 65 O ALA A 419 -7.999 5.637 -1.621 1.00 51.33 O ATOM 66 CB ALA A 419 -11.127 5.434 -1.478 1.00 30.53 C ATOM 0 H ALA A 419 -11.499 4.312 -3.655 1.00 43.02 H new ATOM 0 HA ALA A 419 -10.033 6.642 -2.865 1.00 72.21 H new ATOM 0 HB1 ALA A 419 -10.702 5.914 -0.597 1.00 30.53 H new ATOM 0 HB2 ALA A 419 -12.078 5.906 -1.725 1.00 30.53 H new ATOM 0 HB3 ALA A 419 -11.289 4.376 -1.272 1.00 30.53 H new ATOM 72 N ILE A 420 -8.553 3.777 -2.759 1.00 23.43 N ATOM 73 CA ILE A 420 -7.286 3.106 -2.492 1.00 31.01 C ATOM 74 C ILE A 420 -6.121 3.858 -3.125 1.00 43.21 C ATOM 75 O ILE A 420 -4.971 3.703 -2.713 1.00 42.44 O ATOM 76 CB ILE A 420 -7.293 1.658 -3.018 1.00 42.33 C ATOM 77 CG1 ILE A 420 -8.549 0.925 -2.539 1.00 65.31 C ATOM 78 CG2 ILE A 420 -6.040 0.924 -2.567 1.00 12.13 C ATOM 79 CD1 ILE A 420 -8.700 0.907 -1.034 1.00 74.30 C ATOM 0 H ILE A 420 -9.209 3.233 -3.320 1.00 23.43 H new ATOM 0 HA ILE A 420 -7.160 3.090 -1.409 1.00 31.01 H new ATOM 0 HB ILE A 420 -7.302 1.683 -4.108 1.00 42.33 H new ATOM 0 HG12 ILE A 420 -9.427 1.399 -2.979 1.00 65.31 H new ATOM 0 HG13 ILE A 420 -8.523 -0.101 -2.906 1.00 65.31 H new ATOM 0 HG21 ILE A 420 -6.060 -0.098 -2.947 1.00 12.13 H new ATOM 0 HG22 ILE A 420 -5.159 1.437 -2.953 1.00 12.13 H new ATOM 0 HG23 ILE A 420 -6.001 0.905 -1.478 1.00 12.13 H new ATOM 0 HD11 ILE A 420 -9.611 0.372 -0.766 1.00 74.30 H new ATOM 0 HD12 ILE A 420 -7.840 0.407 -0.588 1.00 74.30 H new ATOM 0 HD13 ILE A 420 -8.758 1.930 -0.662 1.00 74.30 H new ATOM 91 N ARG A 421 -6.426 4.677 -4.127 1.00 54.02 N ATOM 92 CA ARG A 421 -5.406 5.455 -4.817 1.00 23.13 C ATOM 93 C ARG A 421 -4.557 6.241 -3.822 1.00 64.20 C ATOM 94 O ARG A 421 -3.364 6.454 -4.040 1.00 64.24 O ATOM 95 CB ARG A 421 -6.053 6.413 -5.818 1.00 21.20 C ATOM 96 CG ARG A 421 -5.327 6.482 -7.152 1.00 71.01 C ATOM 97 CD ARG A 421 -5.225 7.912 -7.657 1.00 42.34 C ATOM 98 NE ARG A 421 -6.466 8.361 -8.283 1.00 75.04 N ATOM 99 CZ ARG A 421 -6.641 9.583 -8.775 1.00 62.42 C ATOM 100 NH1 ARG A 421 -5.659 10.471 -8.716 1.00 40.31 N ATOM 101 NH2 ARG A 421 -7.799 9.916 -9.330 1.00 43.32 N ATOM 0 H ARG A 421 -7.373 4.818 -4.479 1.00 54.02 H new ATOM 0 HA ARG A 421 -4.759 4.762 -5.355 1.00 23.13 H new ATOM 0 HB2 ARG A 421 -7.084 6.103 -5.991 1.00 21.20 H new ATOM 0 HB3 ARG A 421 -6.089 7.411 -5.382 1.00 21.20 H new ATOM 0 HG2 ARG A 421 -4.327 6.060 -7.046 1.00 71.01 H new ATOM 0 HG3 ARG A 421 -5.854 5.872 -7.886 1.00 71.01 H new ATOM 0 HD2 ARG A 421 -4.978 8.573 -6.826 1.00 42.34 H new ATOM 0 HD3 ARG A 421 -4.409 7.985 -8.376 1.00 42.34 H new ATOM 0 HE ARG A 421 -7.241 7.700 -8.346 1.00 75.04 H new ATOM 0 HH11 ARG A 421 -4.767 10.217 -8.292 1.00 40.31 H new ATOM 0 HH12 ARG A 421 -5.796 11.408 -9.094 1.00 40.31 H new ATOM 0 HH21 ARG A 421 -8.556 9.234 -9.379 1.00 43.32 H new ATOM 0 HH22 ARG A 421 -7.933 10.854 -9.707 1.00 43.32 H new ATOM 115 N ALA A 422 -5.179 6.669 -2.729 1.00 44.25 N ATOM 116 CA ALA A 422 -4.481 7.430 -1.700 1.00 14.10 C ATOM 117 C ALA A 422 -3.823 6.503 -0.684 1.00 13.22 C ATOM 118 O ALA A 422 -2.851 6.876 -0.025 1.00 63.02 O ATOM 119 CB ALA A 422 -5.442 8.383 -1.004 1.00 64.54 C ATOM 0 H ALA A 422 -6.166 6.502 -2.533 1.00 44.25 H new ATOM 0 HA ALA A 422 -3.696 8.012 -2.183 1.00 14.10 H new ATOM 0 HB1 ALA A 422 -4.907 8.944 -0.238 1.00 64.54 H new ATOM 0 HB2 ALA A 422 -5.861 9.075 -1.735 1.00 64.54 H new ATOM 0 HB3 ALA A 422 -6.247 7.813 -0.540 1.00 64.54 H new ATOM 125 N LEU A 423 -4.360 5.294 -0.558 1.00 23.20 N ATOM 126 CA LEU A 423 -3.826 4.313 0.380 1.00 45.53 C ATOM 127 C LEU A 423 -2.386 3.952 0.028 1.00 32.33 C ATOM 128 O LEU A 423 -1.509 3.940 0.892 1.00 34.32 O ATOM 129 CB LEU A 423 -4.693 3.054 0.381 1.00 53.52 C ATOM 130 CG LEU A 423 -5.566 2.841 1.619 1.00 13.32 C ATOM 131 CD1 LEU A 423 -4.717 2.395 2.799 1.00 34.35 C ATOM 132 CD2 LEU A 423 -6.328 4.114 1.959 1.00 3.24 C ATOM 0 H LEU A 423 -5.165 4.970 -1.094 1.00 23.20 H new ATOM 0 HA LEU A 423 -3.838 4.755 1.376 1.00 45.53 H new ATOM 0 HB2 LEU A 423 -5.341 3.082 -0.495 1.00 53.52 H new ATOM 0 HB3 LEU A 423 -4.041 2.188 0.267 1.00 53.52 H new ATOM 0 HG LEU A 423 -6.289 2.056 1.400 1.00 13.32 H new ATOM 0 HD11 LEU A 423 -5.354 2.248 3.671 1.00 34.35 H new ATOM 0 HD12 LEU A 423 -4.216 1.458 2.554 1.00 34.35 H new ATOM 0 HD13 LEU A 423 -3.971 3.158 3.019 1.00 34.35 H new ATOM 0 HD21 LEU A 423 -6.944 3.944 2.842 1.00 3.24 H new ATOM 0 HD22 LEU A 423 -5.621 4.919 2.159 1.00 3.24 H new ATOM 0 HD23 LEU A 423 -6.966 4.391 1.120 1.00 3.24 H new ATOM 144 N VAL A 424 -2.149 3.660 -1.246 1.00 43.05 N ATOM 145 CA VAL A 424 -0.815 3.302 -1.714 1.00 33.44 C ATOM 146 C VAL A 424 0.139 4.487 -1.614 1.00 24.20 C ATOM 147 O VAL A 424 1.357 4.327 -1.699 1.00 63.02 O ATOM 148 CB VAL A 424 -0.846 2.802 -3.170 1.00 44.13 C ATOM 149 CG1 VAL A 424 0.532 2.320 -3.599 1.00 51.51 C ATOM 150 CG2 VAL A 424 -1.880 1.698 -3.333 1.00 23.03 C ATOM 0 H VAL A 424 -2.864 3.664 -1.974 1.00 43.05 H new ATOM 0 HA VAL A 424 -0.459 2.498 -1.070 1.00 33.44 H new ATOM 0 HB VAL A 424 -1.131 3.633 -3.815 1.00 44.13 H new ATOM 0 HG11 VAL A 424 0.490 1.970 -4.631 1.00 51.51 H new ATOM 0 HG12 VAL A 424 1.245 3.141 -3.523 1.00 51.51 H new ATOM 0 HG13 VAL A 424 0.849 1.503 -2.952 1.00 51.51 H new ATOM 0 HG21 VAL A 424 -1.888 1.357 -4.368 1.00 23.03 H new ATOM 0 HG22 VAL A 424 -1.628 0.864 -2.678 1.00 23.03 H new ATOM 0 HG23 VAL A 424 -2.866 2.081 -3.070 1.00 23.03 H new ATOM 160 N LYS A 425 -0.422 5.678 -1.434 1.00 72.10 N ATOM 161 CA LYS A 425 0.377 6.892 -1.320 1.00 61.33 C ATOM 162 C LYS A 425 0.954 7.035 0.084 1.00 35.12 C ATOM 163 O LYS A 425 2.144 7.298 0.253 1.00 2.34 O ATOM 164 CB LYS A 425 -0.471 8.118 -1.662 1.00 44.43 C ATOM 165 CG LYS A 425 0.205 9.075 -2.631 1.00 14.01 C ATOM 166 CD LYS A 425 0.231 8.512 -4.042 1.00 50.11 C ATOM 167 CE LYS A 425 -0.750 9.239 -4.950 1.00 24.12 C ATOM 168 NZ LYS A 425 -0.432 9.030 -6.390 1.00 42.53 N ATOM 0 H LYS A 425 -1.428 5.828 -1.364 1.00 72.10 H new ATOM 0 HA LYS A 425 1.204 6.820 -2.027 1.00 61.33 H new ATOM 0 HB2 LYS A 425 -1.416 7.787 -2.092 1.00 44.43 H new ATOM 0 HB3 LYS A 425 -0.709 8.653 -0.743 1.00 44.43 H new ATOM 0 HG2 LYS A 425 -0.322 10.029 -2.629 1.00 14.01 H new ATOM 0 HG3 LYS A 425 1.224 9.272 -2.298 1.00 14.01 H new ATOM 0 HD2 LYS A 425 1.238 8.597 -4.450 1.00 50.11 H new ATOM 0 HD3 LYS A 425 -0.014 7.450 -4.016 1.00 50.11 H new ATOM 0 HE2 LYS A 425 -1.762 8.888 -4.747 1.00 24.12 H new ATOM 0 HE3 LYS A 425 -0.731 10.305 -4.725 1.00 24.12 H new ATOM 0 HZ1 LYS A 425 -1.123 9.541 -6.976 1.00 42.53 H new ATOM 0 HZ2 LYS A 425 0.524 9.388 -6.590 1.00 42.53 H new ATOM 0 HZ3 LYS A 425 -0.475 8.015 -6.611 1.00 42.53 H new ATOM 182 N LYS A 426 0.103 6.858 1.089 1.00 33.43 N ATOM 183 CA LYS A 426 0.528 6.964 2.480 1.00 21.11 C ATOM 184 C LYS A 426 1.755 6.097 2.741 1.00 34.15 C ATOM 185 O LYS A 426 2.603 6.435 3.568 1.00 41.32 O ATOM 186 CB LYS A 426 -0.611 6.552 3.415 1.00 34.44 C ATOM 187 CG LYS A 426 -1.273 7.723 4.121 1.00 74.42 C ATOM 188 CD LYS A 426 -2.756 7.474 4.339 1.00 52.53 C ATOM 189 CE LYS A 426 -3.315 8.368 5.437 1.00 64.15 C ATOM 190 NZ LYS A 426 -4.449 9.202 4.949 1.00 22.54 N ATOM 0 H LYS A 426 -0.886 6.640 0.966 1.00 33.43 H new ATOM 0 HA LYS A 426 0.792 8.003 2.676 1.00 21.11 H new ATOM 0 HB2 LYS A 426 -1.364 6.012 2.841 1.00 34.44 H new ATOM 0 HB3 LYS A 426 -0.224 5.860 4.163 1.00 34.44 H new ATOM 0 HG2 LYS A 426 -0.786 7.893 5.081 1.00 74.42 H new ATOM 0 HG3 LYS A 426 -1.138 8.629 3.530 1.00 74.42 H new ATOM 0 HD2 LYS A 426 -3.297 7.655 3.410 1.00 52.53 H new ATOM 0 HD3 LYS A 426 -2.916 6.429 4.603 1.00 52.53 H new ATOM 0 HE2 LYS A 426 -3.650 7.752 6.272 1.00 64.15 H new ATOM 0 HE3 LYS A 426 -2.524 9.016 5.816 1.00 64.15 H new ATOM 0 HZ1 LYS A 426 -4.802 9.797 5.726 1.00 22.54 H new ATOM 0 HZ2 LYS A 426 -4.124 9.808 4.169 1.00 22.54 H new ATOM 0 HZ3 LYS A 426 -5.214 8.584 4.611 1.00 22.54 H new ATOM 204 N LEU A 427 1.844 4.977 2.032 1.00 11.24 N ATOM 205 CA LEU A 427 2.969 4.061 2.186 1.00 14.33 C ATOM 206 C LEU A 427 4.296 4.804 2.075 1.00 1.52 C ATOM 207 O LEU A 427 5.288 4.421 2.697 1.00 53.03 O ATOM 208 CB LEU A 427 2.900 2.955 1.132 1.00 24.21 C ATOM 209 CG LEU A 427 1.529 2.312 0.922 1.00 21.41 C ATOM 210 CD1 LEU A 427 1.674 0.959 0.243 1.00 71.01 C ATOM 211 CD2 LEU A 427 0.798 2.169 2.248 1.00 3.43 C ATOM 0 H LEU A 427 1.151 4.681 1.345 1.00 11.24 H new ATOM 0 HA LEU A 427 2.907 3.613 3.178 1.00 14.33 H new ATOM 0 HB2 LEU A 427 3.236 3.367 0.180 1.00 24.21 H new ATOM 0 HB3 LEU A 427 3.607 2.173 1.408 1.00 24.21 H new ATOM 0 HG LEU A 427 0.940 2.961 0.274 1.00 21.41 H new ATOM 0 HD11 LEU A 427 0.688 0.516 0.101 1.00 71.01 H new ATOM 0 HD12 LEU A 427 2.157 1.088 -0.726 1.00 71.01 H new ATOM 0 HD13 LEU A 427 2.281 0.302 0.866 1.00 71.01 H new ATOM 0 HD21 LEU A 427 -0.176 1.710 2.079 1.00 3.43 H new ATOM 0 HD22 LEU A 427 1.383 1.542 2.920 1.00 3.43 H new ATOM 0 HD23 LEU A 427 0.662 3.153 2.696 1.00 3.43 H new ATOM 223 N ILE A 428 4.306 5.871 1.282 1.00 22.22 N ATOM 224 CA ILE A 428 5.511 6.670 1.093 1.00 75.21 C ATOM 225 C ILE A 428 5.335 8.072 1.666 1.00 30.53 C ATOM 226 O ILE A 428 6.311 8.740 2.005 1.00 40.50 O ATOM 227 CB ILE A 428 5.884 6.779 -0.398 1.00 3.35 C ATOM 228 CG1 ILE A 428 5.907 5.392 -1.043 1.00 40.04 C ATOM 229 CG2 ILE A 428 7.233 7.465 -0.556 1.00 3.34 C ATOM 230 CD1 ILE A 428 6.925 4.456 -0.430 1.00 2.31 C ATOM 0 H ILE A 428 3.494 6.202 0.761 1.00 22.22 H new ATOM 0 HA ILE A 428 6.315 6.162 1.624 1.00 75.21 H new ATOM 0 HB ILE A 428 5.130 7.381 -0.904 1.00 3.35 H new ATOM 0 HG12 ILE A 428 4.917 4.944 -0.958 1.00 40.04 H new ATOM 0 HG13 ILE A 428 6.118 5.499 -2.107 1.00 40.04 H new ATOM 0 HG21 ILE A 428 7.484 7.535 -1.614 1.00 3.34 H new ATOM 0 HG22 ILE A 428 7.185 8.466 -0.127 1.00 3.34 H new ATOM 0 HG23 ILE A 428 7.998 6.886 -0.039 1.00 3.34 H new ATOM 0 HD11 ILE A 428 6.885 3.492 -0.937 1.00 2.31 H new ATOM 0 HD12 ILE A 428 7.923 4.882 -0.539 1.00 2.31 H new ATOM 0 HD13 ILE A 428 6.702 4.319 0.628 1.00 2.31 H new ATOM 242 N ALA A 429 4.085 8.510 1.771 1.00 43.12 N ATOM 243 CA ALA A 429 3.782 9.831 2.308 1.00 64.45 C ATOM 244 C ALA A 429 4.322 9.987 3.725 1.00 73.31 C ATOM 245 O ALA A 429 4.733 11.074 4.126 1.00 24.05 O ATOM 246 CB ALA A 429 2.281 10.080 2.282 1.00 32.32 C ATOM 0 H ALA A 429 3.266 7.970 1.492 1.00 43.12 H new ATOM 0 HA ALA A 429 4.273 10.572 1.678 1.00 64.45 H new ATOM 0 HB1 ALA A 429 2.069 11.070 2.686 1.00 32.32 H new ATOM 0 HB2 ALA A 429 1.920 10.022 1.255 1.00 32.32 H new ATOM 0 HB3 ALA A 429 1.777 9.326 2.887 1.00 32.32 H new ATOM 252 N ALA A 430 4.316 8.891 4.478 1.00 50.13 N ATOM 253 CA ALA A 430 4.806 8.907 5.850 1.00 35.42 C ATOM 254 C ALA A 430 5.950 7.914 6.035 1.00 44.33 C ATOM 255 O ALA A 430 5.955 7.129 6.982 1.00 30.03 O ATOM 256 CB ALA A 430 3.674 8.595 6.818 1.00 2.24 C ATOM 0 H ALA A 430 3.978 7.983 4.161 1.00 50.13 H new ATOM 0 HA ALA A 430 5.187 9.906 6.062 1.00 35.42 H new ATOM 0 HB1 ALA A 430 4.054 8.610 7.839 1.00 2.24 H new ATOM 0 HB2 ALA A 430 2.888 9.343 6.712 1.00 2.24 H new ATOM 0 HB3 ALA A 430 3.268 7.608 6.597 1.00 2.24 H new ATOM 262 N GLU A 431 6.917 7.957 5.124 1.00 74.03 N ATOM 263 CA GLU A 431 8.065 7.061 5.187 1.00 20.21 C ATOM 264 C GLU A 431 9.291 7.700 4.540 1.00 74.22 C ATOM 265 O GLU A 431 9.173 8.651 3.769 1.00 3.44 O ATOM 266 CB GLU A 431 7.743 5.735 4.495 1.00 33.25 C ATOM 267 CG GLU A 431 6.662 4.929 5.196 1.00 22.44 C ATOM 268 CD GLU A 431 7.036 4.567 6.621 1.00 42.25 C ATOM 269 OE1 GLU A 431 8.240 4.613 6.948 1.00 44.24 O ATOM 270 OE2 GLU A 431 6.124 4.238 7.408 1.00 71.13 O ATOM 0 H GLU A 431 6.928 8.602 4.334 1.00 74.03 H new ATOM 0 HA GLU A 431 8.288 6.871 6.237 1.00 20.21 H new ATOM 0 HB2 GLU A 431 7.428 5.936 3.471 1.00 33.25 H new ATOM 0 HB3 GLU A 431 8.651 5.135 4.437 1.00 33.25 H new ATOM 0 HG2 GLU A 431 5.734 5.501 5.202 1.00 22.44 H new ATOM 0 HG3 GLU A 431 6.471 4.016 4.631 1.00 22.44 H new ATOM 277 N ASN A 432 10.466 7.169 4.860 1.00 10.23 N ATOM 278 CA ASN A 432 11.715 7.688 4.312 1.00 14.13 C ATOM 279 C ASN A 432 12.410 6.635 3.454 1.00 2.44 C ATOM 280 O ASN A 432 13.446 6.082 3.825 1.00 1.40 O ATOM 281 CB ASN A 432 12.644 8.137 5.442 1.00 53.04 C ATOM 282 CG ASN A 432 13.739 9.065 4.954 1.00 61.41 C ATOM 283 OD1 ASN A 432 14.924 8.740 5.032 1.00 50.40 O ATOM 284 ND2 ASN A 432 13.347 10.228 4.446 1.00 33.24 N ATOM 0 H ASN A 432 10.580 6.380 5.496 1.00 10.23 H new ATOM 0 HA ASN A 432 11.479 8.546 3.683 1.00 14.13 H new ATOM 0 HB2 ASN A 432 12.059 8.642 6.211 1.00 53.04 H new ATOM 0 HB3 ASN A 432 13.095 7.261 5.908 1.00 53.04 H new ATOM 0 HD21 ASN A 432 14.039 10.893 4.101 1.00 33.24 H new ATOM 0 HD22 ASN A 432 12.354 10.456 4.401 1.00 33.24 H new ATOM 291 N PRO A 433 11.830 6.352 2.279 1.00 14.42 N ATOM 292 CA PRO A 433 12.378 5.365 1.343 1.00 44.13 C ATOM 293 C PRO A 433 13.677 5.836 0.699 1.00 44.13 C ATOM 294 O PRO A 433 14.264 5.134 -0.122 1.00 33.42 O ATOM 295 CB PRO A 433 11.277 5.227 0.288 1.00 44.50 C ATOM 296 CG PRO A 433 10.539 6.522 0.339 1.00 31.55 C ATOM 297 CD PRO A 433 10.594 6.973 1.773 1.00 24.41 C ATOM 0 HA PRO A 433 12.631 4.428 1.840 1.00 44.13 H new ATOM 0 HB2 PRO A 433 11.697 5.049 -0.702 1.00 44.50 H new ATOM 0 HB3 PRO A 433 10.619 4.387 0.510 1.00 44.50 H new ATOM 0 HG2 PRO A 433 10.998 7.259 -0.320 1.00 31.55 H new ATOM 0 HG3 PRO A 433 9.508 6.397 0.008 1.00 31.55 H new ATOM 0 HD2 PRO A 433 10.629 8.060 1.851 1.00 24.41 H new ATOM 0 HD3 PRO A 433 9.719 6.641 2.332 1.00 24.41 H new ATOM 305 N ALA A 434 14.121 7.031 1.078 1.00 51.03 N ATOM 306 CA ALA A 434 15.352 7.595 0.538 1.00 13.32 C ATOM 307 C ALA A 434 16.523 6.635 0.725 1.00 13.52 C ATOM 308 O ALA A 434 17.050 6.087 -0.243 1.00 14.14 O ATOM 309 CB ALA A 434 15.653 8.932 1.197 1.00 54.50 C ATOM 0 H ALA A 434 13.646 7.626 1.757 1.00 51.03 H new ATOM 0 HA ALA A 434 15.212 7.753 -0.531 1.00 13.32 H new ATOM 0 HB1 ALA A 434 16.575 9.342 0.784 1.00 54.50 H new ATOM 0 HB2 ALA A 434 14.832 9.624 1.008 1.00 54.50 H new ATOM 0 HB3 ALA A 434 15.768 8.790 2.272 1.00 54.50 H new ATOM 315 N LYS A 435 16.926 6.438 1.975 1.00 4.33 N ATOM 316 CA LYS A 435 18.035 5.545 2.291 1.00 2.40 C ATOM 317 C LYS A 435 17.647 4.090 2.048 1.00 0.34 C ATOM 318 O LYS A 435 18.240 3.393 1.226 1.00 72.52 O ATOM 319 CB LYS A 435 18.471 5.733 3.745 1.00 13.33 C ATOM 320 CG LYS A 435 19.720 6.583 3.902 1.00 14.23 C ATOM 321 CD LYS A 435 20.324 6.436 5.288 1.00 53.43 C ATOM 322 CE LYS A 435 20.203 7.724 6.089 1.00 61.31 C ATOM 323 NZ LYS A 435 19.807 7.465 7.500 1.00 44.20 N ATOM 0 H LYS A 435 16.501 6.885 2.787 1.00 4.33 H new ATOM 0 HA LYS A 435 18.869 5.795 1.635 1.00 2.40 H new ATOM 0 HB2 LYS A 435 17.656 6.194 4.303 1.00 13.33 H new ATOM 0 HB3 LYS A 435 18.649 4.755 4.191 1.00 13.33 H new ATOM 0 HG2 LYS A 435 20.455 6.293 3.151 1.00 14.23 H new ATOM 0 HG3 LYS A 435 19.474 7.629 3.720 1.00 14.23 H new ATOM 0 HD2 LYS A 435 19.823 5.627 5.820 1.00 53.43 H new ATOM 0 HD3 LYS A 435 21.374 6.158 5.201 1.00 53.43 H new ATOM 0 HE2 LYS A 435 21.155 8.254 6.071 1.00 61.31 H new ATOM 0 HE3 LYS A 435 19.467 8.376 5.619 1.00 61.31 H new ATOM 0 HZ1 LYS A 435 19.735 8.368 8.012 1.00 44.20 H new ATOM 0 HZ2 LYS A 435 18.886 6.982 7.519 1.00 44.20 H new ATOM 0 HZ3 LYS A 435 20.522 6.864 7.957 1.00 44.20 H new ATOM 337 N PRO A 436 16.626 3.620 2.781 1.00 72.41 N ATOM 338 CA PRO A 436 16.134 2.244 2.662 1.00 25.42 C ATOM 339 C PRO A 436 15.427 1.994 1.334 1.00 72.13 C ATOM 340 O PRO A 436 15.269 2.907 0.521 1.00 32.44 O ATOM 341 CB PRO A 436 15.149 2.117 3.826 1.00 41.02 C ATOM 342 CG PRO A 436 14.697 3.511 4.093 1.00 53.13 C ATOM 343 CD PRO A 436 15.872 4.395 3.781 1.00 41.00 C ATOM 0 HA PRO A 436 16.945 1.517 2.692 1.00 25.42 H new ATOM 0 HB2 PRO A 436 14.310 1.472 3.566 1.00 41.02 H new ATOM 0 HB3 PRO A 436 15.627 1.681 4.703 1.00 41.02 H new ATOM 0 HG2 PRO A 436 13.839 3.769 3.472 1.00 53.13 H new ATOM 0 HG3 PRO A 436 14.386 3.628 5.131 1.00 53.13 H new ATOM 0 HD2 PRO A 436 15.555 5.360 3.386 1.00 41.00 H new ATOM 0 HD3 PRO A 436 16.471 4.595 4.669 1.00 41.00 H new ATOM 351 N LEU A 437 15.000 0.754 1.121 1.00 25.33 N ATOM 352 CA LEU A 437 14.307 0.385 -0.109 1.00 23.05 C ATOM 353 C LEU A 437 12.795 0.404 0.091 1.00 21.04 C ATOM 354 O LEU A 437 12.293 -0.003 1.138 1.00 55.23 O ATOM 355 CB LEU A 437 14.754 -1.004 -0.571 1.00 63.03 C ATOM 356 CG LEU A 437 16.056 -1.057 -1.373 1.00 74.53 C ATOM 357 CD1 LEU A 437 17.253 -0.834 -0.463 1.00 52.35 C ATOM 358 CD2 LEU A 437 16.178 -2.387 -2.103 1.00 34.13 C ATOM 0 H LEU A 437 15.121 -0.012 1.783 1.00 25.33 H new ATOM 0 HA LEU A 437 14.563 1.117 -0.875 1.00 23.05 H new ATOM 0 HB2 LEU A 437 14.866 -1.639 0.308 1.00 63.03 H new ATOM 0 HB3 LEU A 437 13.959 -1.437 -1.178 1.00 63.03 H new ATOM 0 HG LEU A 437 16.037 -0.258 -2.115 1.00 74.53 H new ATOM 0 HD11 LEU A 437 18.170 -0.875 -1.051 1.00 52.35 H new ATOM 0 HD12 LEU A 437 17.171 0.143 0.013 1.00 52.35 H new ATOM 0 HD13 LEU A 437 17.278 -1.610 0.302 1.00 52.35 H new ATOM 0 HD21 LEU A 437 17.110 -2.408 -2.668 1.00 34.13 H new ATOM 0 HD22 LEU A 437 16.175 -3.201 -1.378 1.00 34.13 H new ATOM 0 HD23 LEU A 437 15.337 -2.506 -2.786 1.00 34.13 H new ATOM 370 N SER A 438 12.076 0.878 -0.921 1.00 63.23 N ATOM 371 CA SER A 438 10.621 0.953 -0.855 1.00 63.35 C ATOM 372 C SER A 438 10.007 -0.444 -0.829 1.00 43.42 C ATOM 373 O SER A 438 10.689 -1.439 -1.075 1.00 50.24 O ATOM 374 CB SER A 438 10.075 1.739 -2.049 1.00 44.11 C ATOM 375 OG SER A 438 10.932 1.622 -3.172 1.00 60.51 O ATOM 0 H SER A 438 12.477 1.216 -1.796 1.00 63.23 H new ATOM 0 HA SER A 438 10.349 1.469 0.066 1.00 63.35 H new ATOM 0 HB2 SER A 438 9.081 1.372 -2.306 1.00 44.11 H new ATOM 0 HB3 SER A 438 9.967 2.789 -1.778 1.00 44.11 H new ATOM 0 HG SER A 438 10.560 2.132 -3.922 1.00 60.51 H new ATOM 381 N ASP A 439 8.715 -0.508 -0.527 1.00 33.31 N ATOM 382 CA ASP A 439 8.006 -1.782 -0.468 1.00 40.15 C ATOM 383 C ASP A 439 8.548 -2.653 0.661 1.00 70.11 C ATOM 384 O ASP A 439 8.272 -3.851 0.720 1.00 20.12 O ATOM 385 CB ASP A 439 8.128 -2.520 -1.802 1.00 45.03 C ATOM 386 CG ASP A 439 8.232 -1.573 -2.981 1.00 43.53 C ATOM 387 OD1 ASP A 439 7.360 -0.688 -3.109 1.00 51.44 O ATOM 388 OD2 ASP A 439 9.185 -1.715 -3.776 1.00 43.43 O ATOM 0 H ASP A 439 8.137 0.306 -0.319 1.00 33.31 H new ATOM 0 HA ASP A 439 6.954 -1.576 -0.271 1.00 40.15 H new ATOM 0 HB2 ASP A 439 9.007 -3.164 -1.778 1.00 45.03 H new ATOM 0 HB3 ASP A 439 7.262 -3.168 -1.936 1.00 45.03 H new ATOM 393 N SER A 440 9.321 -2.043 1.553 1.00 34.44 N ATOM 394 CA SER A 440 9.906 -2.764 2.678 1.00 34.34 C ATOM 395 C SER A 440 9.556 -2.086 3.999 1.00 24.24 C ATOM 396 O SER A 440 9.348 -2.749 5.016 1.00 61.42 O ATOM 397 CB SER A 440 11.425 -2.850 2.521 1.00 22.04 C ATOM 398 OG SER A 440 11.917 -4.096 2.983 1.00 74.34 O ATOM 0 H SER A 440 9.557 -1.051 1.519 1.00 34.44 H new ATOM 0 HA SER A 440 9.492 -3.772 2.687 1.00 34.34 H new ATOM 0 HB2 SER A 440 11.693 -2.716 1.473 1.00 22.04 H new ATOM 0 HB3 SER A 440 11.897 -2.040 3.077 1.00 22.04 H new ATOM 0 HG SER A 440 12.890 -4.126 2.870 1.00 74.34 H new ATOM 404 N LYS A 441 9.494 -0.759 3.977 1.00 11.12 N ATOM 405 CA LYS A 441 9.169 0.011 5.171 1.00 43.54 C ATOM 406 C LYS A 441 7.661 0.053 5.398 1.00 0.54 C ATOM 407 O LYS A 441 7.188 -0.117 6.523 1.00 42.14 O ATOM 408 CB LYS A 441 9.716 1.436 5.049 1.00 21.10 C ATOM 409 CG LYS A 441 10.506 1.890 6.264 1.00 2.34 C ATOM 410 CD LYS A 441 9.669 1.822 7.531 1.00 44.44 C ATOM 411 CE LYS A 441 10.439 2.339 8.736 1.00 3.11 C ATOM 412 NZ LYS A 441 9.566 2.481 9.933 1.00 62.12 N ATOM 0 H LYS A 441 9.665 -0.194 3.145 1.00 11.12 H new ATOM 0 HA LYS A 441 9.634 -0.479 6.026 1.00 43.54 H new ATOM 0 HB2 LYS A 441 10.354 1.497 4.167 1.00 21.10 H new ATOM 0 HB3 LYS A 441 8.885 2.123 4.889 1.00 21.10 H new ATOM 0 HG2 LYS A 441 11.391 1.265 6.378 1.00 2.34 H new ATOM 0 HG3 LYS A 441 10.855 2.911 6.112 1.00 2.34 H new ATOM 0 HD2 LYS A 441 8.760 2.409 7.400 1.00 44.44 H new ATOM 0 HD3 LYS A 441 9.360 0.792 7.710 1.00 44.44 H new ATOM 0 HE2 LYS A 441 11.258 1.657 8.963 1.00 3.11 H new ATOM 0 HE3 LYS A 441 10.885 3.304 8.495 1.00 3.11 H new ATOM 0 HZ1 LYS A 441 10.128 2.836 10.733 1.00 62.12 H new ATOM 0 HZ2 LYS A 441 8.798 3.151 9.725 1.00 62.12 H new ATOM 0 HZ3 LYS A 441 9.160 1.555 10.179 1.00 62.12 H new ATOM 426 N LEU A 442 6.912 0.279 4.325 1.00 2.40 N ATOM 427 CA LEU A 442 5.457 0.342 4.407 1.00 13.12 C ATOM 428 C LEU A 442 4.889 -0.947 4.993 1.00 11.03 C ATOM 429 O LEU A 442 3.920 -0.923 5.752 1.00 54.45 O ATOM 430 CB LEU A 442 4.859 0.591 3.022 1.00 43.24 C ATOM 431 CG LEU A 442 5.449 -0.232 1.877 1.00 43.23 C ATOM 432 CD1 LEU A 442 4.413 -1.197 1.323 1.00 74.32 C ATOM 433 CD2 LEU A 442 5.972 0.681 0.777 1.00 62.31 C ATOM 0 H LEU A 442 7.288 0.422 3.388 1.00 2.40 H new ATOM 0 HA LEU A 442 5.190 1.169 5.066 1.00 13.12 H new ATOM 0 HB2 LEU A 442 3.788 0.394 3.070 1.00 43.24 H new ATOM 0 HB3 LEU A 442 4.978 1.648 2.782 1.00 43.24 H new ATOM 0 HG LEU A 442 6.285 -0.813 2.267 1.00 43.23 H new ATOM 0 HD11 LEU A 442 4.852 -1.774 0.509 1.00 74.32 H new ATOM 0 HD12 LEU A 442 4.087 -1.874 2.113 1.00 74.32 H new ATOM 0 HD13 LEU A 442 3.556 -0.636 0.950 1.00 74.32 H new ATOM 0 HD21 LEU A 442 6.388 0.077 -0.030 1.00 62.31 H new ATOM 0 HD22 LEU A 442 5.155 1.290 0.390 1.00 62.31 H new ATOM 0 HD23 LEU A 442 6.748 1.331 1.182 1.00 62.31 H new ATOM 445 N THR A 443 5.501 -2.073 4.638 1.00 12.21 N ATOM 446 CA THR A 443 5.058 -3.371 5.130 1.00 52.03 C ATOM 447 C THR A 443 5.378 -3.537 6.612 1.00 61.34 C ATOM 448 O THR A 443 4.582 -4.088 7.370 1.00 12.34 O ATOM 449 CB THR A 443 5.711 -4.523 4.343 1.00 72.23 C ATOM 450 OG1 THR A 443 7.076 -4.680 4.746 1.00 52.34 O ATOM 451 CG2 THR A 443 5.645 -4.260 2.846 1.00 25.13 C ATOM 0 H THR A 443 6.305 -2.111 4.011 1.00 12.21 H new ATOM 0 HA THR A 443 3.978 -3.410 4.988 1.00 52.03 H new ATOM 0 HB THR A 443 5.162 -5.439 4.560 1.00 72.23 H new ATOM 0 HG1 THR A 443 7.530 -3.812 4.710 1.00 52.34 H new ATOM 0 HG21 THR A 443 6.112 -5.087 2.310 1.00 25.13 H new ATOM 0 HG22 THR A 443 4.603 -4.170 2.538 1.00 25.13 H new ATOM 0 HG23 THR A 443 6.172 -3.334 2.616 1.00 25.13 H new ATOM 459 N SER A 444 6.549 -3.056 7.016 1.00 31.45 N ATOM 460 CA SER A 444 6.977 -3.155 8.406 1.00 0.23 C ATOM 461 C SER A 444 5.901 -2.616 9.345 1.00 34.51 C ATOM 462 O SER A 444 5.756 -3.084 10.476 1.00 62.03 O ATOM 463 CB SER A 444 8.283 -2.386 8.616 1.00 34.21 C ATOM 464 OG SER A 444 8.514 -2.139 9.992 1.00 34.22 O ATOM 0 H SER A 444 7.218 -2.594 6.400 1.00 31.45 H new ATOM 0 HA SER A 444 7.142 -4.208 8.635 1.00 0.23 H new ATOM 0 HB2 SER A 444 9.115 -2.955 8.201 1.00 34.21 H new ATOM 0 HB3 SER A 444 8.243 -1.440 8.075 1.00 34.21 H new ATOM 0 HG SER A 444 9.355 -1.648 10.099 1.00 34.22 H new ATOM 470 N LEU A 445 5.147 -1.632 8.868 1.00 62.30 N ATOM 471 CA LEU A 445 4.083 -1.029 9.663 1.00 73.14 C ATOM 472 C LEU A 445 3.040 -2.071 10.055 1.00 42.25 C ATOM 473 O LEU A 445 2.686 -2.200 11.228 1.00 30.21 O ATOM 474 CB LEU A 445 3.418 0.106 8.883 1.00 65.21 C ATOM 475 CG LEU A 445 3.792 1.525 9.315 1.00 42.42 C ATOM 476 CD1 LEU A 445 3.658 2.491 8.147 1.00 15.23 C ATOM 477 CD2 LEU A 445 2.925 1.973 10.482 1.00 1.33 C ATOM 0 H LEU A 445 5.253 -1.235 7.935 1.00 62.30 H new ATOM 0 HA LEU A 445 4.527 -0.625 10.573 1.00 73.14 H new ATOM 0 HB2 LEU A 445 3.668 -0.009 7.828 1.00 65.21 H new ATOM 0 HB3 LEU A 445 2.337 -0.006 8.968 1.00 65.21 H new ATOM 0 HG LEU A 445 4.832 1.523 9.641 1.00 42.42 H new ATOM 0 HD11 LEU A 445 3.928 3.496 8.473 1.00 15.23 H new ATOM 0 HD12 LEU A 445 4.322 2.181 7.340 1.00 15.23 H new ATOM 0 HD13 LEU A 445 2.628 2.490 7.790 1.00 15.23 H new ATOM 0 HD21 LEU A 445 3.205 2.985 10.776 1.00 1.33 H new ATOM 0 HD22 LEU A 445 1.877 1.959 10.183 1.00 1.33 H new ATOM 0 HD23 LEU A 445 3.071 1.297 11.324 1.00 1.33 H new ATOM 489 N LEU A 446 2.551 -2.812 9.067 1.00 62.21 N ATOM 490 CA LEU A 446 1.549 -3.845 9.309 1.00 24.12 C ATOM 491 C LEU A 446 2.201 -5.128 9.817 1.00 50.15 C ATOM 492 O LEU A 446 1.542 -5.973 10.422 1.00 53.21 O ATOM 493 CB LEU A 446 0.764 -4.132 8.027 1.00 1.33 C ATOM 494 CG LEU A 446 -0.569 -3.398 7.880 1.00 73.30 C ATOM 495 CD1 LEU A 446 -1.225 -3.746 6.552 1.00 22.04 C ATOM 496 CD2 LEU A 446 -1.496 -3.735 9.039 1.00 23.45 C ATOM 0 H LEU A 446 2.832 -2.717 8.091 1.00 62.21 H new ATOM 0 HA LEU A 446 0.864 -3.480 10.074 1.00 24.12 H new ATOM 0 HB2 LEU A 446 1.393 -3.876 7.174 1.00 1.33 H new ATOM 0 HB3 LEU A 446 0.574 -5.204 7.973 1.00 1.33 H new ATOM 0 HG LEU A 446 -0.375 -2.326 7.897 1.00 73.30 H new ATOM 0 HD11 LEU A 446 -2.173 -3.215 6.464 1.00 22.04 H new ATOM 0 HD12 LEU A 446 -0.567 -3.453 5.734 1.00 22.04 H new ATOM 0 HD13 LEU A 446 -1.405 -4.820 6.506 1.00 22.04 H new ATOM 0 HD21 LEU A 446 -2.440 -3.203 8.917 1.00 23.45 H new ATOM 0 HD22 LEU A 446 -1.684 -4.809 9.054 1.00 23.45 H new ATOM 0 HD23 LEU A 446 -1.029 -3.435 9.977 1.00 23.45 H new ATOM 508 N SER A 447 3.500 -5.263 9.568 1.00 35.33 N ATOM 509 CA SER A 447 4.241 -6.444 10.000 1.00 74.15 C ATOM 510 C SER A 447 4.562 -6.370 11.489 1.00 3.50 C ATOM 511 O SER A 447 4.951 -7.364 12.101 1.00 44.10 O ATOM 512 CB SER A 447 5.534 -6.583 9.193 1.00 13.41 C ATOM 513 OG SER A 447 6.645 -6.092 9.922 1.00 53.11 O ATOM 0 H SER A 447 4.061 -4.571 9.071 1.00 35.33 H new ATOM 0 HA SER A 447 3.616 -7.320 9.825 1.00 74.15 H new ATOM 0 HB2 SER A 447 5.696 -7.630 8.938 1.00 13.41 H new ATOM 0 HB3 SER A 447 5.441 -6.037 8.254 1.00 13.41 H new ATOM 0 HG SER A 447 7.459 -6.193 9.386 1.00 53.11 H new ATOM 519 N GLU A 448 4.397 -5.183 12.065 1.00 71.24 N ATOM 520 CA GLU A 448 4.670 -4.978 13.482 1.00 2.12 C ATOM 521 C GLU A 448 3.862 -5.949 14.338 1.00 54.52 C ATOM 522 O GLU A 448 4.248 -6.269 15.462 1.00 15.10 O ATOM 523 CB GLU A 448 4.348 -3.537 13.884 1.00 44.12 C ATOM 524 CG GLU A 448 5.530 -2.591 13.759 1.00 25.12 C ATOM 525 CD GLU A 448 5.583 -1.571 14.880 1.00 61.34 C ATOM 526 OE1 GLU A 448 4.728 -0.661 14.894 1.00 34.34 O ATOM 527 OE2 GLU A 448 6.480 -1.682 15.741 1.00 14.33 O ATOM 0 H GLU A 448 4.076 -4.350 11.572 1.00 71.24 H new ATOM 0 HA GLU A 448 5.730 -5.166 13.652 1.00 2.12 H new ATOM 0 HB2 GLU A 448 3.532 -3.169 13.262 1.00 44.12 H new ATOM 0 HB3 GLU A 448 3.993 -3.527 14.915 1.00 44.12 H new ATOM 0 HG2 GLU A 448 6.454 -3.169 13.755 1.00 25.12 H new ATOM 0 HG3 GLU A 448 5.475 -2.071 12.802 1.00 25.12 H new ATOM 534 N GLN A 449 2.739 -6.411 13.798 1.00 21.51 N ATOM 535 CA GLN A 449 1.877 -7.345 14.513 1.00 51.34 C ATOM 536 C GLN A 449 1.834 -8.696 13.808 1.00 32.14 C ATOM 537 O GLN A 449 1.708 -9.739 14.450 1.00 42.44 O ATOM 538 CB GLN A 449 0.462 -6.774 14.631 1.00 0.04 C ATOM 539 CG GLN A 449 0.341 -5.340 14.143 1.00 0.13 C ATOM 540 CD GLN A 449 -0.993 -4.713 14.498 1.00 72.54 C ATOM 541 OE1 GLN A 449 -2.047 -5.181 14.063 1.00 5.12 O ATOM 542 NE2 GLN A 449 -0.956 -3.648 15.291 1.00 64.54 N ATOM 0 H GLN A 449 2.405 -6.154 12.869 1.00 21.51 H new ATOM 0 HA GLN A 449 2.289 -7.490 15.511 1.00 51.34 H new ATOM 0 HB2 GLN A 449 -0.223 -7.402 14.061 1.00 0.04 H new ATOM 0 HB3 GLN A 449 0.146 -6.822 15.673 1.00 0.04 H new ATOM 0 HG2 GLN A 449 1.145 -4.744 14.575 1.00 0.13 H new ATOM 0 HG3 GLN A 449 0.473 -5.316 13.061 1.00 0.13 H new ATOM 0 HE21 GLN A 449 -0.061 -3.294 15.628 1.00 64.54 H new ATOM 0 HE22 GLN A 449 -1.823 -3.184 15.563 1.00 64.54 H new ATOM 551 N GLY A 450 1.941 -8.672 12.483 1.00 45.30 N ATOM 552 CA GLY A 450 1.913 -9.901 11.713 1.00 31.45 C ATOM 553 C GLY A 450 0.974 -9.821 10.527 1.00 15.03 C ATOM 554 O GLY A 450 0.727 -10.822 9.854 1.00 33.52 O ATOM 0 H GLY A 450 2.047 -7.822 11.929 1.00 45.30 H new ATOM 0 HA2 GLY A 450 2.919 -10.128 11.361 1.00 31.45 H new ATOM 0 HA3 GLY A 450 1.608 -10.724 12.359 1.00 31.45 H new ATOM 558 N ILE A 451 0.447 -8.629 10.271 1.00 42.10 N ATOM 559 CA ILE A 451 -0.472 -8.423 9.158 1.00 21.11 C ATOM 560 C ILE A 451 0.285 -8.256 7.844 1.00 21.13 C ATOM 561 O ILE A 451 0.112 -7.262 7.139 1.00 22.52 O ATOM 562 CB ILE A 451 -1.363 -7.187 9.384 1.00 34.01 C ATOM 563 CG1 ILE A 451 -1.933 -7.197 10.804 1.00 11.04 C ATOM 564 CG2 ILE A 451 -2.485 -7.148 8.357 1.00 20.11 C ATOM 565 CD1 ILE A 451 -3.106 -6.259 10.991 1.00 72.31 C ATOM 0 H ILE A 451 0.640 -7.791 10.819 1.00 42.10 H new ATOM 0 HA ILE A 451 -1.103 -9.310 9.102 1.00 21.11 H new ATOM 0 HB ILE A 451 -0.755 -6.291 9.262 1.00 34.01 H new ATOM 0 HG12 ILE A 451 -2.245 -8.211 11.054 1.00 11.04 H new ATOM 0 HG13 ILE A 451 -1.144 -6.924 11.505 1.00 11.04 H new ATOM 0 HG21 ILE A 451 -3.106 -6.269 8.530 1.00 20.11 H new ATOM 0 HG22 ILE A 451 -2.059 -7.100 7.355 1.00 20.11 H new ATOM 0 HG23 ILE A 451 -3.095 -8.047 8.450 1.00 20.11 H new ATOM 0 HD11 ILE A 451 -3.459 -6.318 12.021 1.00 72.31 H new ATOM 0 HD12 ILE A 451 -2.794 -5.238 10.773 1.00 72.31 H new ATOM 0 HD13 ILE A 451 -3.912 -6.545 10.315 1.00 72.31 H new ATOM 577 N MET A 452 1.123 -9.235 7.522 1.00 33.11 N ATOM 578 CA MET A 452 1.904 -9.198 6.291 1.00 61.11 C ATOM 579 C MET A 452 0.996 -9.278 5.068 1.00 63.35 C ATOM 580 O MET A 452 0.654 -10.367 4.606 1.00 73.42 O ATOM 581 CB MET A 452 2.913 -10.348 6.267 1.00 71.42 C ATOM 582 CG MET A 452 2.298 -11.703 6.575 1.00 12.32 C ATOM 583 SD MET A 452 2.823 -12.357 8.171 1.00 30.33 S ATOM 584 CE MET A 452 4.184 -13.411 7.674 1.00 45.44 C ATOM 0 H MET A 452 1.279 -10.064 8.096 1.00 33.11 H new ATOM 0 HA MET A 452 2.442 -8.251 6.261 1.00 61.11 H new ATOM 0 HB2 MET A 452 3.384 -10.387 5.285 1.00 71.42 H new ATOM 0 HB3 MET A 452 3.702 -10.143 6.991 1.00 71.42 H new ATOM 0 HG2 MET A 452 1.212 -11.616 6.562 1.00 12.32 H new ATOM 0 HG3 MET A 452 2.571 -12.408 5.790 1.00 12.32 H new ATOM 0 HE1 MET A 452 4.615 -13.888 8.554 1.00 45.44 H new ATOM 0 HE2 MET A 452 3.820 -14.176 6.988 1.00 45.44 H new ATOM 0 HE3 MET A 452 4.946 -12.811 7.177 1.00 45.44 H new ATOM 594 N VAL A 453 0.607 -8.118 4.548 1.00 21.31 N ATOM 595 CA VAL A 453 -0.261 -8.057 3.378 1.00 71.34 C ATOM 596 C VAL A 453 0.362 -7.208 2.275 1.00 72.43 C ATOM 597 O VAL A 453 0.263 -7.538 1.093 1.00 15.22 O ATOM 598 CB VAL A 453 -1.644 -7.480 3.735 1.00 22.42 C ATOM 599 CG1 VAL A 453 -2.579 -8.585 4.203 1.00 44.20 C ATOM 600 CG2 VAL A 453 -1.511 -6.397 4.795 1.00 74.32 C ATOM 0 H VAL A 453 0.879 -7.208 4.919 1.00 21.31 H new ATOM 0 HA VAL A 453 -0.383 -9.080 3.021 1.00 71.34 H new ATOM 0 HB VAL A 453 -2.073 -7.029 2.840 1.00 22.42 H new ATOM 0 HG11 VAL A 453 -3.551 -8.159 4.451 1.00 44.20 H new ATOM 0 HG12 VAL A 453 -2.698 -9.322 3.409 1.00 44.20 H new ATOM 0 HG13 VAL A 453 -2.159 -9.068 5.085 1.00 44.20 H new ATOM 0 HG21 VAL A 453 -2.497 -6.000 5.035 1.00 74.32 H new ATOM 0 HG22 VAL A 453 -1.061 -6.820 5.693 1.00 74.32 H new ATOM 0 HG23 VAL A 453 -0.879 -5.593 4.417 1.00 74.32 H new ATOM 610 N ALA A 454 1.006 -6.115 2.670 1.00 44.34 N ATOM 611 CA ALA A 454 1.647 -5.221 1.714 1.00 45.50 C ATOM 612 C ALA A 454 2.511 -5.999 0.728 1.00 43.02 C ATOM 613 O ALA A 454 2.696 -5.580 -0.415 1.00 2.21 O ATOM 614 CB ALA A 454 2.484 -4.180 2.445 1.00 34.44 C ATOM 0 H ALA A 454 1.098 -5.828 3.644 1.00 44.34 H new ATOM 0 HA ALA A 454 0.866 -4.713 1.149 1.00 45.50 H new ATOM 0 HB1 ALA A 454 2.957 -3.519 1.719 1.00 34.44 H new ATOM 0 HB2 ALA A 454 1.843 -3.595 3.105 1.00 34.44 H new ATOM 0 HB3 ALA A 454 3.252 -4.680 3.035 1.00 34.44 H new ATOM 620 N ARG A 455 3.039 -7.133 1.177 1.00 71.54 N ATOM 621 CA ARG A 455 3.885 -7.969 0.334 1.00 72.13 C ATOM 622 C ARG A 455 3.229 -8.212 -1.023 1.00 11.34 C ATOM 623 O ARG A 455 3.734 -7.770 -2.056 1.00 14.43 O ATOM 624 CB ARG A 455 4.167 -9.305 1.022 1.00 15.42 C ATOM 625 CG ARG A 455 5.521 -9.898 0.669 1.00 11.03 C ATOM 626 CD ARG A 455 5.882 -11.051 1.594 1.00 74.21 C ATOM 627 NE ARG A 455 6.950 -11.880 1.043 1.00 72.44 N ATOM 628 CZ ARG A 455 7.432 -12.957 1.651 1.00 32.41 C ATOM 629 NH1 ARG A 455 6.944 -13.334 2.826 1.00 24.23 N ATOM 630 NH2 ARG A 455 8.405 -13.662 1.085 1.00 53.42 N ATOM 0 H ARG A 455 2.896 -7.494 2.120 1.00 71.54 H new ATOM 0 HA ARG A 455 4.827 -7.445 0.175 1.00 72.13 H new ATOM 0 HB2 ARG A 455 4.111 -9.167 2.102 1.00 15.42 H new ATOM 0 HB3 ARG A 455 3.387 -10.016 0.750 1.00 15.42 H new ATOM 0 HG2 ARG A 455 5.508 -10.248 -0.363 1.00 11.03 H new ATOM 0 HG3 ARG A 455 6.286 -9.125 0.734 1.00 11.03 H new ATOM 0 HD2 ARG A 455 6.192 -10.656 2.562 1.00 74.21 H new ATOM 0 HD3 ARG A 455 4.999 -11.666 1.769 1.00 74.21 H new ATOM 0 HE ARG A 455 7.348 -11.617 0.141 1.00 72.44 H new ATOM 0 HH11 ARG A 455 6.197 -12.796 3.264 1.00 24.23 H new ATOM 0 HH12 ARG A 455 7.316 -14.162 3.291 1.00 24.23 H new ATOM 0 HH21 ARG A 455 8.783 -13.376 0.182 1.00 53.42 H new ATOM 0 HH22 ARG A 455 8.774 -14.489 1.554 1.00 53.42 H new ATOM 644 N ARG A 456 2.104 -8.918 -1.012 1.00 54.44 N ATOM 645 CA ARG A 456 1.380 -9.222 -2.242 1.00 10.44 C ATOM 646 C ARG A 456 0.425 -8.088 -2.604 1.00 23.02 C ATOM 647 O ARG A 456 0.174 -7.826 -3.781 1.00 53.33 O ATOM 648 CB ARG A 456 0.601 -10.530 -2.090 1.00 42.11 C ATOM 649 CG ARG A 456 0.241 -11.180 -3.415 1.00 31.41 C ATOM 650 CD ARG A 456 -1.104 -10.691 -3.929 1.00 42.11 C ATOM 651 NE ARG A 456 -2.123 -11.736 -3.878 1.00 1.33 N ATOM 652 CZ ARG A 456 -3.392 -11.543 -4.217 1.00 1.31 C ATOM 653 NH1 ARG A 456 -3.797 -10.349 -4.630 1.00 1.52 N ATOM 654 NH2 ARG A 456 -4.260 -12.544 -4.144 1.00 42.23 N ATOM 0 H ARG A 456 1.673 -9.291 -0.166 1.00 54.44 H new ATOM 0 HA ARG A 456 2.108 -9.332 -3.046 1.00 10.44 H new ATOM 0 HB2 ARG A 456 1.193 -11.230 -1.501 1.00 42.11 H new ATOM 0 HB3 ARG A 456 -0.314 -10.336 -1.530 1.00 42.11 H new ATOM 0 HG2 ARG A 456 1.014 -10.961 -4.151 1.00 31.41 H new ATOM 0 HG3 ARG A 456 0.214 -12.263 -3.295 1.00 31.41 H new ATOM 0 HD2 ARG A 456 -1.430 -9.837 -3.335 1.00 42.11 H new ATOM 0 HD3 ARG A 456 -0.994 -10.342 -4.956 1.00 42.11 H new ATOM 0 HE ARG A 456 -1.844 -12.666 -3.565 1.00 1.33 H new ATOM 0 HH11 ARG A 456 -3.133 -9.577 -4.688 1.00 1.52 H new ATOM 0 HH12 ARG A 456 -4.772 -10.203 -4.890 1.00 1.52 H new ATOM 0 HH21 ARG A 456 -3.953 -13.463 -3.827 1.00 42.23 H new ATOM 0 HH22 ARG A 456 -5.235 -12.394 -4.405 1.00 42.23 H new ATOM 668 N THR A 457 -0.104 -7.418 -1.586 1.00 13.20 N ATOM 669 CA THR A 457 -1.032 -6.314 -1.796 1.00 54.15 C ATOM 670 C THR A 457 -0.404 -5.225 -2.658 1.00 71.31 C ATOM 671 O THR A 457 -0.992 -4.786 -3.648 1.00 2.23 O ATOM 672 CB THR A 457 -1.486 -5.698 -0.460 1.00 20.22 C ATOM 673 OG1 THR A 457 -2.355 -6.604 0.228 1.00 62.40 O ATOM 674 CG2 THR A 457 -2.202 -4.376 -0.689 1.00 74.03 C ATOM 0 H THR A 457 0.095 -7.621 -0.606 1.00 13.20 H new ATOM 0 HA THR A 457 -1.901 -6.725 -2.310 1.00 54.15 H new ATOM 0 HB THR A 457 -0.601 -5.513 0.148 1.00 20.22 H new ATOM 0 HG1 THR A 457 -1.820 -7.273 0.703 1.00 62.40 H new ATOM 0 HG21 THR A 457 -2.513 -3.960 0.269 1.00 74.03 H new ATOM 0 HG22 THR A 457 -1.528 -3.678 -1.186 1.00 74.03 H new ATOM 0 HG23 THR A 457 -3.079 -4.541 -1.315 1.00 74.03 H new ATOM 682 N VAL A 458 0.794 -4.793 -2.277 1.00 63.23 N ATOM 683 CA VAL A 458 1.503 -3.756 -3.018 1.00 2.33 C ATOM 684 C VAL A 458 1.630 -4.121 -4.492 1.00 75.02 C ATOM 685 O VAL A 458 1.513 -3.263 -5.366 1.00 24.41 O ATOM 686 CB VAL A 458 2.909 -3.515 -2.437 1.00 64.13 C ATOM 687 CG1 VAL A 458 3.759 -2.711 -3.411 1.00 72.01 C ATOM 688 CG2 VAL A 458 2.817 -2.813 -1.091 1.00 44.33 C ATOM 0 H VAL A 458 1.294 -5.145 -1.460 1.00 63.23 H new ATOM 0 HA VAL A 458 0.916 -2.842 -2.924 1.00 2.33 H new ATOM 0 HB VAL A 458 3.390 -4.481 -2.284 1.00 64.13 H new ATOM 0 HG11 VAL A 458 4.749 -2.551 -2.983 1.00 72.01 H new ATOM 0 HG12 VAL A 458 3.853 -3.258 -4.349 1.00 72.01 H new ATOM 0 HG13 VAL A 458 3.284 -1.748 -3.599 1.00 72.01 H new ATOM 0 HG21 VAL A 458 3.820 -2.651 -0.696 1.00 44.33 H new ATOM 0 HG22 VAL A 458 2.316 -1.853 -1.215 1.00 44.33 H new ATOM 0 HG23 VAL A 458 2.249 -3.431 -0.396 1.00 44.33 H new ATOM 698 N ALA A 459 1.866 -5.401 -4.761 1.00 1.43 N ATOM 699 CA ALA A 459 2.005 -5.881 -6.130 1.00 1.21 C ATOM 700 C ALA A 459 0.644 -6.038 -6.798 1.00 11.44 C ATOM 701 O ALA A 459 0.545 -6.108 -8.023 1.00 31.42 O ATOM 702 CB ALA A 459 2.762 -7.200 -6.153 1.00 3.13 C ATOM 0 H ALA A 459 1.965 -6.124 -4.048 1.00 1.43 H new ATOM 0 HA ALA A 459 2.573 -5.140 -6.692 1.00 1.21 H new ATOM 0 HB1 ALA A 459 2.858 -7.546 -7.182 1.00 3.13 H new ATOM 0 HB2 ALA A 459 3.754 -7.058 -5.724 1.00 3.13 H new ATOM 0 HB3 ALA A 459 2.217 -7.942 -5.570 1.00 3.13 H new ATOM 708 N LYS A 460 -0.405 -6.095 -5.984 1.00 52.35 N ATOM 709 CA LYS A 460 -1.763 -6.244 -6.495 1.00 43.42 C ATOM 710 C LYS A 460 -2.319 -4.902 -6.961 1.00 70.35 C ATOM 711 O LYS A 460 -3.035 -4.829 -7.961 1.00 22.02 O ATOM 712 CB LYS A 460 -2.673 -6.838 -5.418 1.00 32.11 C ATOM 713 CG LYS A 460 -4.008 -6.126 -5.288 1.00 72.31 C ATOM 714 CD LYS A 460 -4.904 -6.399 -6.484 1.00 51.21 C ATOM 715 CE LYS A 460 -6.189 -7.100 -6.070 1.00 75.32 C ATOM 716 NZ LYS A 460 -7.308 -6.810 -7.009 1.00 65.14 N ATOM 0 H LYS A 460 -0.341 -6.040 -4.967 1.00 52.35 H new ATOM 0 HA LYS A 460 -1.731 -6.921 -7.349 1.00 43.42 H new ATOM 0 HB2 LYS A 460 -2.852 -7.889 -5.645 1.00 32.11 H new ATOM 0 HB3 LYS A 460 -2.157 -6.803 -4.458 1.00 32.11 H new ATOM 0 HG2 LYS A 460 -4.508 -6.452 -4.376 1.00 72.31 H new ATOM 0 HG3 LYS A 460 -3.841 -5.053 -5.194 1.00 72.31 H new ATOM 0 HD2 LYS A 460 -5.145 -5.459 -6.981 1.00 51.21 H new ATOM 0 HD3 LYS A 460 -4.369 -7.015 -7.207 1.00 51.21 H new ATOM 0 HE2 LYS A 460 -6.019 -8.176 -6.030 1.00 75.32 H new ATOM 0 HE3 LYS A 460 -6.467 -6.783 -5.065 1.00 75.32 H new ATOM 0 HZ1 LYS A 460 -8.165 -7.306 -6.691 1.00 65.14 H new ATOM 0 HZ2 LYS A 460 -7.488 -5.786 -7.029 1.00 65.14 H new ATOM 0 HZ3 LYS A 460 -7.053 -7.135 -7.963 1.00 65.14 H new ATOM 730 N TYR A 461 -1.985 -3.843 -6.232 1.00 54.32 N ATOM 731 CA TYR A 461 -2.453 -2.503 -6.571 1.00 31.44 C ATOM 732 C TYR A 461 -1.591 -1.887 -7.667 1.00 63.24 C ATOM 733 O TYR A 461 -2.047 -1.030 -8.424 1.00 54.42 O ATOM 734 CB TYR A 461 -2.440 -1.607 -5.332 1.00 15.03 C ATOM 735 CG TYR A 461 -3.573 -1.887 -4.370 1.00 31.45 C ATOM 736 CD1 TYR A 461 -4.895 -1.866 -4.798 1.00 34.54 C ATOM 737 CD2 TYR A 461 -3.322 -2.172 -3.033 1.00 51.14 C ATOM 738 CE1 TYR A 461 -5.933 -2.121 -3.923 1.00 31.24 C ATOM 739 CE2 TYR A 461 -4.354 -2.429 -2.152 1.00 41.32 C ATOM 740 CZ TYR A 461 -5.658 -2.402 -2.601 1.00 23.13 C ATOM 741 OH TYR A 461 -6.688 -2.657 -1.726 1.00 40.42 O ATOM 0 H TYR A 461 -1.392 -3.886 -5.403 1.00 54.32 H new ATOM 0 HA TYR A 461 -3.475 -2.585 -6.941 1.00 31.44 H new ATOM 0 HB2 TYR A 461 -1.492 -1.736 -4.811 1.00 15.03 H new ATOM 0 HB3 TYR A 461 -2.491 -0.565 -5.647 1.00 15.03 H new ATOM 0 HD1 TYR A 461 -5.115 -1.647 -5.832 1.00 34.54 H new ATOM 0 HD2 TYR A 461 -2.303 -2.193 -2.677 1.00 51.14 H new ATOM 0 HE1 TYR A 461 -6.955 -2.100 -4.272 1.00 31.24 H new ATOM 0 HE2 TYR A 461 -4.141 -2.650 -1.117 1.00 41.32 H new ATOM 0 HH TYR A 461 -6.323 -2.837 -0.835 1.00 40.42 H new ATOM 751 N ARG A 462 -0.340 -2.331 -7.747 1.00 44.33 N ATOM 752 CA ARG A 462 0.588 -1.822 -8.751 1.00 11.34 C ATOM 753 C ARG A 462 0.033 -2.025 -10.157 1.00 11.34 C ATOM 754 O ARG A 462 0.415 -1.322 -11.092 1.00 34.50 O ATOM 755 CB ARG A 462 1.944 -2.519 -8.620 1.00 61.50 C ATOM 756 CG ARG A 462 1.975 -3.909 -9.234 1.00 65.44 C ATOM 757 CD ARG A 462 2.634 -3.897 -10.606 1.00 32.03 C ATOM 758 NE ARG A 462 3.378 -5.127 -10.866 1.00 10.51 N ATOM 759 CZ ARG A 462 4.580 -5.379 -10.361 1.00 21.13 C ATOM 760 NH1 ARG A 462 5.171 -4.492 -9.572 1.00 33.05 N ATOM 761 NH2 ARG A 462 5.194 -6.521 -10.643 1.00 61.13 N ATOM 0 H ARG A 462 0.054 -3.041 -7.130 1.00 44.33 H new ATOM 0 HA ARG A 462 0.718 -0.753 -8.582 1.00 11.34 H new ATOM 0 HB2 ARG A 462 2.707 -1.903 -9.096 1.00 61.50 H new ATOM 0 HB3 ARG A 462 2.206 -2.591 -7.564 1.00 61.50 H new ATOM 0 HG2 ARG A 462 2.517 -4.587 -8.575 1.00 65.44 H new ATOM 0 HG3 ARG A 462 0.958 -4.293 -9.321 1.00 65.44 H new ATOM 0 HD2 ARG A 462 1.871 -3.765 -11.373 1.00 32.03 H new ATOM 0 HD3 ARG A 462 3.308 -3.043 -10.677 1.00 32.03 H new ATOM 0 HE ARG A 462 2.951 -5.831 -11.468 1.00 10.51 H new ATOM 0 HH11 ARG A 462 4.702 -3.613 -9.352 1.00 33.05 H new ATOM 0 HH12 ARG A 462 6.094 -4.688 -9.186 1.00 33.05 H new ATOM 0 HH21 ARG A 462 4.743 -7.207 -11.248 1.00 61.13 H new ATOM 0 HH22 ARG A 462 6.117 -6.713 -10.254 1.00 61.13 H new ATOM 775 N GLU A 463 -0.871 -2.990 -10.298 1.00 4.41 N ATOM 776 CA GLU A 463 -1.477 -3.285 -11.591 1.00 51.44 C ATOM 777 C GLU A 463 -2.479 -2.202 -11.981 1.00 74.40 C ATOM 778 O GLU A 463 -2.582 -1.829 -13.150 1.00 34.50 O ATOM 779 CB GLU A 463 -2.171 -4.648 -11.555 1.00 0.21 C ATOM 780 CG GLU A 463 -1.301 -5.759 -10.991 1.00 63.45 C ATOM 781 CD GLU A 463 -2.031 -7.085 -10.903 1.00 60.04 C ATOM 782 OE1 GLU A 463 -3.279 -7.073 -10.851 1.00 12.10 O ATOM 783 OE2 GLU A 463 -1.355 -8.135 -10.888 1.00 71.33 O ATOM 0 H GLU A 463 -1.199 -3.580 -9.533 1.00 4.41 H new ATOM 0 HA GLU A 463 -0.684 -3.309 -12.338 1.00 51.44 H new ATOM 0 HB2 GLU A 463 -3.078 -4.569 -10.956 1.00 0.21 H new ATOM 0 HB3 GLU A 463 -2.479 -4.916 -12.566 1.00 0.21 H new ATOM 0 HG2 GLU A 463 -0.417 -5.876 -11.618 1.00 63.45 H new ATOM 0 HG3 GLU A 463 -0.953 -5.474 -9.998 1.00 63.45 H new ATOM 790 N SER A 464 -3.216 -1.702 -10.995 1.00 12.23 N ATOM 791 CA SER A 464 -4.213 -0.665 -11.236 1.00 13.25 C ATOM 792 C SER A 464 -3.544 0.665 -11.565 1.00 44.53 C ATOM 793 O SER A 464 -3.671 1.178 -12.678 1.00 11.33 O ATOM 794 CB SER A 464 -5.118 -0.505 -10.012 1.00 62.24 C ATOM 795 OG SER A 464 -5.545 0.838 -9.867 1.00 53.42 O ATOM 0 H SER A 464 -3.142 -1.998 -10.022 1.00 12.23 H new ATOM 0 HA SER A 464 -4.819 -0.968 -12.090 1.00 13.25 H new ATOM 0 HB2 SER A 464 -5.986 -1.157 -10.109 1.00 62.24 H new ATOM 0 HB3 SER A 464 -4.582 -0.819 -9.116 1.00 62.24 H new ATOM 0 HG SER A 464 -6.123 0.914 -9.079 1.00 53.42 H new ATOM 801 N LEU A 465 -2.832 1.219 -10.591 1.00 2.52 N ATOM 802 CA LEU A 465 -2.142 2.492 -10.775 1.00 71.53 C ATOM 803 C LEU A 465 -1.173 2.420 -11.952 1.00 65.23 C ATOM 804 O LEU A 465 -1.145 3.310 -12.802 1.00 34.13 O ATOM 805 CB LEU A 465 -1.387 2.875 -9.502 1.00 63.11 C ATOM 806 CG LEU A 465 -2.191 2.815 -8.203 1.00 1.34 C ATOM 807 CD1 LEU A 465 -1.660 1.714 -7.297 1.00 43.04 C ATOM 808 CD2 LEU A 465 -2.152 4.158 -7.489 1.00 45.52 C ATOM 0 H LEU A 465 -2.717 0.807 -9.665 1.00 2.52 H new ATOM 0 HA LEU A 465 -2.890 3.255 -10.989 1.00 71.53 H new ATOM 0 HB2 LEU A 465 -0.524 2.216 -9.403 1.00 63.11 H new ATOM 0 HB3 LEU A 465 -1.003 3.888 -9.622 1.00 63.11 H new ATOM 0 HG LEU A 465 -3.228 2.587 -8.451 1.00 1.34 H new ATOM 0 HD11 LEU A 465 -2.244 1.686 -6.377 1.00 43.04 H new ATOM 0 HD12 LEU A 465 -1.739 0.754 -7.806 1.00 43.04 H new ATOM 0 HD13 LEU A 465 -0.615 1.912 -7.057 1.00 43.04 H new ATOM 0 HD21 LEU A 465 -2.730 4.097 -6.567 1.00 45.52 H new ATOM 0 HD22 LEU A 465 -1.119 4.415 -7.254 1.00 45.52 H new ATOM 0 HD23 LEU A 465 -2.579 4.926 -8.134 1.00 45.52 H new