USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 585 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 Set 1.1: A 60 TYR OH : rot 15:sc= 0.0484 USER MOD Set 1.2: A 70 SER OG : rot 152:sc= 0.0482 USER MOD Set 2.1: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.594 (180deg=-0.904) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= -0.253 (180deg=-0.295) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -131:sc= -0.0717 (180deg=-0.632) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.0895 (180deg=-0.599) USER MOD Single : A 33 GLN : amide:sc= -2.69! C(o=-2.7!,f=-5!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 78:sc= 0.182 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -3.43! C(o=-3.4!,f=-5.9!) USER MOD Single : A 71 THR OG1 : rot -92:sc= 0.0158 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.113 0.667 -9.787 1.00 0.00 N ATOM 2 CA MET A 1 70.851 -0.065 -10.090 1.00 0.00 C ATOM 3 C MET A 1 71.013 -1.533 -9.714 1.00 0.00 C ATOM 4 O MET A 1 70.772 -2.426 -10.528 1.00 0.00 O ATOM 5 CB MET A 1 70.538 0.071 -11.580 1.00 0.00 C ATOM 6 CG MET A 1 70.133 1.516 -11.870 1.00 0.00 C ATOM 7 SD MET A 1 69.726 1.699 -13.625 1.00 0.00 S ATOM 8 CE MET A 1 69.603 3.506 -13.629 1.00 0.00 C ATOM 0 H1 MET A 1 71.939 1.691 -9.832 1.00 0.00 H new ATOM 0 H2 MET A 1 72.441 0.413 -8.833 1.00 0.00 H new ATOM 0 H3 MET A 1 72.840 0.408 -10.484 1.00 0.00 H new ATOM 0 HA MET A 1 70.028 0.356 -9.513 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.409 -0.203 -12.175 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.734 -0.609 -11.860 1.00 0.00 H new ATOM 0 HG2 MET A 1 69.275 1.793 -11.258 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.946 2.192 -11.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 69.354 3.852 -14.632 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.824 3.819 -12.934 1.00 0.00 H new ATOM 0 HE3 MET A 1 70.557 3.936 -13.323 1.00 0.00 H new ATOM 20 N TYR A 2 71.428 -1.773 -8.476 1.00 0.00 N ATOM 21 CA TYR A 2 71.624 -3.136 -7.997 1.00 0.00 C ATOM 22 C TYR A 2 70.278 -3.750 -7.615 1.00 0.00 C ATOM 23 O TYR A 2 69.509 -3.158 -6.855 1.00 0.00 O ATOM 24 CB TYR A 2 72.565 -3.138 -6.773 1.00 0.00 C ATOM 25 CG TYR A 2 73.218 -4.508 -6.608 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.436 -5.641 -6.303 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.608 -4.652 -6.775 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.041 -6.897 -6.167 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.205 -5.913 -6.640 1.00 0.00 C ATOM 30 CZ TYR A 2 74.422 -7.033 -6.337 1.00 0.00 C ATOM 31 OH TYR A 2 75.012 -8.274 -6.211 1.00 0.00 O ATOM 0 H TYR A 2 71.634 -1.047 -7.790 1.00 0.00 H new ATOM 0 HA TYR A 2 72.076 -3.728 -8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.333 -2.374 -6.895 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.003 -2.885 -5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.368 -5.540 -6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.215 -3.790 -7.007 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.439 -7.762 -5.930 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.272 -6.021 -6.770 1.00 0.00 H new ATOM 0 HH TYR A 2 75.977 -8.194 -6.360 1.00 0.00 H new ATOM 41 N GLU A 3 70.007 -4.946 -8.137 1.00 0.00 N ATOM 42 CA GLU A 3 68.756 -5.649 -7.838 1.00 0.00 C ATOM 43 C GLU A 3 69.034 -6.801 -6.880 1.00 0.00 C ATOM 44 O GLU A 3 69.793 -7.718 -7.198 1.00 0.00 O ATOM 45 CB GLU A 3 68.126 -6.191 -9.129 1.00 0.00 C ATOM 46 CG GLU A 3 67.693 -5.025 -10.032 1.00 0.00 C ATOM 47 CD GLU A 3 68.889 -4.493 -10.815 1.00 0.00 C ATOM 48 OE1 GLU A 3 69.989 -4.961 -10.571 1.00 0.00 O ATOM 49 OE2 GLU A 3 68.687 -3.623 -11.647 1.00 0.00 O ATOM 0 H GLU A 3 70.633 -5.448 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 3 68.060 -4.949 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.841 -6.823 -9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.265 -6.815 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.917 -5.358 -10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.261 -4.228 -9.427 1.00 0.00 H new ATOM 56 N PHE A 4 68.419 -6.746 -5.699 1.00 0.00 N ATOM 57 CA PHE A 4 68.610 -7.790 -4.686 1.00 0.00 C ATOM 58 C PHE A 4 67.493 -8.826 -4.761 1.00 0.00 C ATOM 59 O PHE A 4 66.312 -8.502 -4.630 1.00 0.00 O ATOM 60 CB PHE A 4 68.672 -7.148 -3.279 1.00 0.00 C ATOM 61 CG PHE A 4 68.423 -8.179 -2.185 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.357 -9.203 -1.935 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.248 -8.109 -1.416 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.110 -10.142 -0.927 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.007 -9.051 -0.414 1.00 0.00 C ATOM 66 CZ PHE A 4 67.936 -10.066 -0.168 1.00 0.00 C ATOM 0 H PHE A 4 67.788 -5.996 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 4 69.552 -8.302 -4.880 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.648 -6.687 -3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.930 -6.353 -3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.263 -9.264 -2.520 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.530 -7.324 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.826 -10.927 -0.734 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.101 -8.995 0.172 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.748 -10.793 0.609 1.00 0.00 H new ATOM 76 N LYS A 5 67.891 -10.082 -4.966 1.00 0.00 N ATOM 77 CA LYS A 5 66.946 -11.194 -5.056 1.00 0.00 C ATOM 78 C LYS A 5 67.302 -12.255 -4.020 1.00 0.00 C ATOM 79 O LYS A 5 68.474 -12.472 -3.720 1.00 0.00 O ATOM 80 CB LYS A 5 66.996 -11.809 -6.458 1.00 0.00 C ATOM 81 CG LYS A 5 66.499 -10.790 -7.483 1.00 0.00 C ATOM 82 CD LYS A 5 66.557 -11.405 -8.884 1.00 0.00 C ATOM 83 CE LYS A 5 66.120 -10.365 -9.915 1.00 0.00 C ATOM 84 NZ LYS A 5 64.671 -10.066 -9.729 1.00 0.00 N ATOM 0 H LYS A 5 68.868 -10.355 -5.073 1.00 0.00 H new ATOM 0 HA LYS A 5 65.939 -10.823 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.015 -12.113 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.379 -12.707 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.478 -10.490 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.112 -9.890 -7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.569 -11.746 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.908 -12.279 -8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 5 66.708 -9.454 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.300 -10.738 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 64.354 -9.410 -10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.124 -10.948 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.523 -9.631 -8.796 1.00 0.00 H new ATOM 98 N LEU A 6 66.282 -12.901 -3.473 1.00 0.00 N ATOM 99 CA LEU A 6 66.499 -13.936 -2.461 1.00 0.00 C ATOM 100 C LEU A 6 67.165 -15.165 -3.099 1.00 0.00 C ATOM 101 O LEU A 6 66.549 -15.827 -3.933 1.00 0.00 O ATOM 102 CB LEU A 6 65.155 -14.346 -1.825 1.00 0.00 C ATOM 103 CG LEU A 6 65.379 -15.405 -0.708 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.436 -15.127 0.472 1.00 0.00 C ATOM 105 CD2 LEU A 6 65.094 -16.822 -1.240 1.00 0.00 C ATOM 0 H LEU A 6 65.304 -12.732 -3.707 1.00 0.00 H new ATOM 0 HA LEU A 6 67.153 -13.536 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.661 -13.468 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.493 -14.751 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 6 66.417 -15.341 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.598 -15.872 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.638 -14.134 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.402 -15.177 0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.256 -17.549 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 6 64.060 -16.882 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 6 65.764 -17.040 -2.072 1.00 0.00 H new ATOM 117 N PRO A 7 68.398 -15.493 -2.755 1.00 0.00 N ATOM 118 CA PRO A 7 69.091 -16.668 -3.358 1.00 0.00 C ATOM 119 C PRO A 7 68.614 -17.986 -2.753 1.00 0.00 C ATOM 120 O PRO A 7 68.192 -18.031 -1.596 1.00 0.00 O ATOM 121 CB PRO A 7 70.566 -16.403 -3.047 1.00 0.00 C ATOM 122 CG PRO A 7 70.546 -15.668 -1.746 1.00 0.00 C ATOM 123 CD PRO A 7 69.268 -14.815 -1.759 1.00 0.00 C ATOM 0 HA PRO A 7 68.893 -16.772 -4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.129 -17.333 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.037 -15.810 -3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.543 -16.362 -0.906 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.432 -15.042 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.799 -14.782 -0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.478 -13.785 -2.047 1.00 0.00 H new ATOM 221 N GLU A 15 59.477 -20.337 -2.685 1.00 0.00 N ATOM 222 CA GLU A 15 58.680 -19.573 -1.737 1.00 0.00 C ATOM 223 C GLU A 15 59.528 -18.480 -1.091 1.00 0.00 C ATOM 224 O GLU A 15 60.711 -18.684 -0.816 1.00 0.00 O ATOM 225 CB GLU A 15 58.139 -20.516 -0.663 1.00 0.00 C ATOM 226 CG GLU A 15 57.013 -19.830 0.111 1.00 0.00 C ATOM 227 CD GLU A 15 55.774 -19.722 -0.770 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.811 -20.237 -1.876 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.802 -19.136 -0.325 1.00 0.00 O ATOM 0 HA GLU A 15 57.850 -19.101 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.770 -21.432 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 15 58.940 -20.802 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 15 56.781 -20.397 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 15 57.331 -18.838 0.431 1.00 0.00 H new ATOM 236 N GLY A 16 58.922 -17.316 -0.842 1.00 0.00 N ATOM 237 CA GLY A 16 59.643 -16.205 -0.220 1.00 0.00 C ATOM 238 C GLY A 16 58.765 -15.505 0.817 1.00 0.00 C ATOM 239 O GLY A 16 57.795 -14.841 0.463 1.00 0.00 O ATOM 0 H GLY A 16 57.945 -17.120 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.551 -16.575 0.255 1.00 0.00 H new ATOM 0 HA3 GLY A 16 59.951 -15.491 -0.984 1.00 0.00 H new ATOM 243 N GLU A 17 59.112 -15.654 2.102 1.00 0.00 N ATOM 244 CA GLU A 17 58.344 -15.029 3.184 1.00 0.00 C ATOM 245 C GLU A 17 59.261 -14.197 4.073 1.00 0.00 C ATOM 246 O GLU A 17 60.326 -14.654 4.486 1.00 0.00 O ATOM 247 CB GLU A 17 57.657 -16.112 4.022 1.00 0.00 C ATOM 248 CG GLU A 17 56.590 -15.484 4.927 1.00 0.00 C ATOM 249 CD GLU A 17 57.252 -14.740 6.081 1.00 0.00 C ATOM 250 OE1 GLU A 17 58.305 -15.176 6.515 1.00 0.00 O ATOM 251 OE2 GLU A 17 56.695 -13.746 6.517 1.00 0.00 O ATOM 0 H GLU A 17 59.915 -16.199 2.416 1.00 0.00 H new ATOM 0 HA GLU A 17 57.590 -14.375 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.198 -16.853 3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.396 -16.636 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 17 55.971 -14.798 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.930 -16.259 5.315 1.00 0.00 H new ATOM 258 N ILE A 18 58.839 -12.964 4.354 1.00 0.00 N ATOM 259 CA ILE A 18 59.625 -12.047 5.187 1.00 0.00 C ATOM 260 C ILE A 18 59.061 -11.968 6.603 1.00 0.00 C ATOM 261 O ILE A 18 57.916 -11.563 6.806 1.00 0.00 O ATOM 262 CB ILE A 18 59.606 -10.656 4.549 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.184 -10.723 3.115 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.413 -9.676 5.405 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.722 -10.689 3.128 1.00 0.00 C ATOM 0 H ILE A 18 57.958 -12.575 4.018 1.00 0.00 H new ATOM 0 HA ILE A 18 60.647 -12.421 5.250 1.00 0.00 H new ATOM 0 HB ILE A 18 58.576 -10.304 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.843 -11.635 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.805 -9.886 2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.394 -8.689 4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.976 -9.619 6.402 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.444 -10.022 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.096 -10.738 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 18 62.062 -9.764 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.100 -11.541 3.693 1.00 0.00 H new ATOM 277 N VAL A 19 59.879 -12.353 7.583 1.00 0.00 N ATOM 278 CA VAL A 19 59.464 -12.322 8.983 1.00 0.00 C ATOM 279 C VAL A 19 59.868 -11.000 9.645 1.00 0.00 C ATOM 280 O VAL A 19 59.082 -10.404 10.382 1.00 0.00 O ATOM 281 CB VAL A 19 60.103 -13.499 9.728 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.614 -13.282 9.847 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.482 -13.621 11.122 1.00 0.00 C ATOM 0 H VAL A 19 60.830 -12.689 7.432 1.00 0.00 H new ATOM 0 HA VAL A 19 58.378 -12.405 9.029 1.00 0.00 H new ATOM 0 HB VAL A 19 59.921 -14.419 9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 19 62.062 -14.122 10.378 1.00 0.00 H new ATOM 0 HG12 VAL A 19 62.050 -13.208 8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.807 -12.361 10.397 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.937 -14.458 11.651 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.657 -12.701 11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.409 -13.791 11.029 1.00 0.00 H new ATOM 293 N ARG A 20 61.100 -10.546 9.386 1.00 0.00 N ATOM 294 CA ARG A 20 61.594 -9.290 9.974 1.00 0.00 C ATOM 295 C ARG A 20 62.402 -8.483 8.958 1.00 0.00 C ATOM 296 O ARG A 20 63.119 -9.047 8.132 1.00 0.00 O ATOM 297 CB ARG A 20 62.469 -9.597 11.193 1.00 0.00 C ATOM 298 CG ARG A 20 61.589 -10.064 12.353 1.00 0.00 C ATOM 299 CD ARG A 20 62.472 -10.487 13.527 1.00 0.00 C ATOM 300 NE ARG A 20 63.203 -9.338 14.049 1.00 0.00 N ATOM 301 CZ ARG A 20 64.138 -9.485 14.981 1.00 0.00 C ATOM 302 NH1 ARG A 20 64.436 -10.676 15.425 1.00 0.00 N ATOM 303 NH2 ARG A 20 64.770 -8.441 15.444 1.00 0.00 N ATOM 0 H ARG A 20 61.769 -11.022 8.780 1.00 0.00 H new ATOM 0 HA ARG A 20 60.731 -8.697 10.277 1.00 0.00 H new ATOM 0 HB2 ARG A 20 63.199 -10.367 10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 20 63.030 -8.709 11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 20 60.918 -9.262 12.660 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.964 -10.899 12.036 1.00 0.00 H new ATOM 0 HD2 ARG A 20 61.858 -10.924 14.314 1.00 0.00 H new ATOM 0 HD3 ARG A 20 63.173 -11.257 13.205 1.00 0.00 H new ATOM 0 HE ARG A 20 62.993 -8.406 13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.951 -11.494 15.056 1.00 0.00 H new ATOM 0 HH12 ARG A 20 65.154 -10.789 16.141 1.00 0.00 H new ATOM 0 HH21 ARG A 20 64.546 -7.511 15.090 1.00 0.00 H new ATOM 0 HH22 ARG A 20 65.488 -8.555 16.160 1.00 0.00 H new ATOM 317 N TRP A 21 62.293 -7.149 9.039 1.00 0.00 N ATOM 318 CA TRP A 21 63.034 -6.252 8.134 1.00 0.00 C ATOM 319 C TRP A 21 64.102 -5.480 8.922 1.00 0.00 C ATOM 320 O TRP A 21 63.855 -5.037 10.044 1.00 0.00 O ATOM 321 CB TRP A 21 62.079 -5.239 7.439 1.00 0.00 C ATOM 322 CG TRP A 21 61.599 -5.745 6.103 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.298 -5.846 5.743 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.381 -6.173 4.938 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.225 -6.329 4.450 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.480 -6.545 3.909 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.763 -6.285 4.673 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.930 -7.009 2.671 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.216 -6.747 3.429 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.303 -7.110 2.430 1.00 0.00 C ATOM 0 H TRP A 21 61.703 -6.667 9.717 1.00 0.00 H new ATOM 0 HA TRP A 21 63.508 -6.866 7.368 1.00 0.00 H new ATOM 0 HB2 TRP A 21 61.221 -5.047 8.084 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.595 -4.288 7.303 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.453 -5.590 6.366 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.351 -6.505 3.954 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.478 -6.012 5.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.222 -7.288 1.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.276 -6.824 3.239 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.660 -7.467 1.475 1.00 0.00 H new ATOM 341 N ASP A 22 65.284 -5.316 8.324 1.00 0.00 N ATOM 342 CA ASP A 22 66.379 -4.589 8.977 1.00 0.00 C ATOM 343 C ASP A 22 66.513 -3.167 8.441 1.00 0.00 C ATOM 344 O ASP A 22 67.322 -2.388 8.944 1.00 0.00 O ATOM 345 CB ASP A 22 67.701 -5.313 8.726 1.00 0.00 C ATOM 346 CG ASP A 22 67.898 -5.524 7.228 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.905 -5.682 6.536 1.00 0.00 O ATOM 348 OD2 ASP A 22 69.038 -5.517 6.794 1.00 0.00 O ATOM 0 H ASP A 22 65.508 -5.673 7.395 1.00 0.00 H new ATOM 0 HA ASP A 22 66.150 -4.548 10.042 1.00 0.00 H new ATOM 0 HB2 ASP A 22 68.528 -4.731 9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 22 67.704 -6.273 9.241 1.00 0.00 H new ATOM 353 N VAL A 23 65.747 -2.830 7.402 1.00 0.00 N ATOM 354 CA VAL A 23 65.833 -1.493 6.803 1.00 0.00 C ATOM 355 C VAL A 23 64.449 -0.935 6.486 1.00 0.00 C ATOM 356 O VAL A 23 63.478 -1.679 6.367 1.00 0.00 O ATOM 357 CB VAL A 23 66.665 -1.571 5.521 1.00 0.00 C ATOM 358 CG1 VAL A 23 68.085 -2.035 5.860 1.00 0.00 C ATOM 359 CG2 VAL A 23 66.032 -2.581 4.561 1.00 0.00 C ATOM 0 H VAL A 23 65.069 -3.452 6.962 1.00 0.00 H new ATOM 0 HA VAL A 23 66.308 -0.823 7.520 1.00 0.00 H new ATOM 0 HB VAL A 23 66.698 -0.586 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.677 -2.091 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 23 68.545 -1.326 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 23 68.045 -3.019 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 23 66.625 -2.636 3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 23 66.002 -3.563 5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 23 65.018 -2.264 4.316 1.00 0.00 H new ATOM 369 N LYS A 24 64.375 0.391 6.337 1.00 0.00 N ATOM 370 CA LYS A 24 63.113 1.061 6.020 1.00 0.00 C ATOM 371 C LYS A 24 63.317 2.107 4.925 1.00 0.00 C ATOM 372 O LYS A 24 64.392 2.698 4.802 1.00 0.00 O ATOM 373 CB LYS A 24 62.550 1.742 7.269 1.00 0.00 C ATOM 374 CG LYS A 24 62.146 0.682 8.295 1.00 0.00 C ATOM 375 CD LYS A 24 61.561 1.361 9.534 1.00 0.00 C ATOM 376 CE LYS A 24 61.158 0.294 10.554 1.00 0.00 C ATOM 377 NZ LYS A 24 60.619 0.950 11.777 1.00 0.00 N ATOM 0 H LYS A 24 65.173 1.019 6.431 1.00 0.00 H new ATOM 0 HA LYS A 24 62.409 0.308 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.296 2.411 7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.687 2.353 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.413 0.002 7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 24 63.012 0.082 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.294 2.039 9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.695 1.962 9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.407 -0.369 10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 24 62.020 -0.323 10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 60.346 0.223 12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 61.348 1.565 12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 59.786 1.520 11.527 1.00 0.00 H new ATOM 391 N GLU A 25 62.270 2.326 4.136 1.00 0.00 N ATOM 392 CA GLU A 25 62.310 3.298 3.042 1.00 0.00 C ATOM 393 C GLU A 25 62.616 4.703 3.560 1.00 0.00 C ATOM 394 O GLU A 25 62.078 5.125 4.584 1.00 0.00 O ATOM 395 CB GLU A 25 60.955 3.301 2.330 1.00 0.00 C ATOM 396 CG GLU A 25 61.043 4.086 1.015 1.00 0.00 C ATOM 397 CD GLU A 25 61.096 5.584 1.302 1.00 0.00 C ATOM 398 OE1 GLU A 25 60.507 5.998 2.287 1.00 0.00 O ATOM 399 OE2 GLU A 25 61.724 6.292 0.533 1.00 0.00 O ATOM 0 H GLU A 25 61.377 1.842 4.233 1.00 0.00 H new ATOM 0 HA GLU A 25 63.103 3.012 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.640 2.277 2.129 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.198 3.746 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 25 61.930 3.782 0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.181 3.858 0.388 1.00 0.00 H new ATOM 406 N GLY A 26 63.465 5.432 2.831 1.00 0.00 N ATOM 407 CA GLY A 26 63.812 6.801 3.213 1.00 0.00 C ATOM 408 C GLY A 26 64.978 6.858 4.199 1.00 0.00 C ATOM 409 O GLY A 26 65.273 7.922 4.745 1.00 0.00 O ATOM 0 H GLY A 26 63.921 5.100 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.069 7.370 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 26 62.941 7.282 3.658 1.00 0.00 H new ATOM 413 N ASP A 27 65.637 5.720 4.440 1.00 0.00 N ATOM 414 CA ASP A 27 66.764 5.676 5.384 1.00 0.00 C ATOM 415 C ASP A 27 68.035 5.174 4.702 1.00 0.00 C ATOM 416 O ASP A 27 67.979 4.378 3.765 1.00 0.00 O ATOM 417 CB ASP A 27 66.417 4.752 6.552 1.00 0.00 C ATOM 418 CG ASP A 27 67.404 4.951 7.698 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.104 5.950 7.688 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.436 4.104 8.577 1.00 0.00 O ATOM 0 H ASP A 27 65.415 4.826 4.002 1.00 0.00 H new ATOM 0 HA ASP A 27 66.944 6.688 5.748 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.403 4.956 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.438 3.714 6.221 1.00 0.00 H new ATOM 425 N MET A 28 69.181 5.648 5.189 1.00 0.00 N ATOM 426 CA MET A 28 70.477 5.248 4.635 1.00 0.00 C ATOM 427 C MET A 28 70.965 3.960 5.304 1.00 0.00 C ATOM 428 O MET A 28 70.589 3.667 6.441 1.00 0.00 O ATOM 429 CB MET A 28 71.507 6.366 4.858 1.00 0.00 C ATOM 430 CG MET A 28 71.059 7.624 4.113 1.00 0.00 C ATOM 431 SD MET A 28 72.362 8.877 4.210 1.00 0.00 S ATOM 432 CE MET A 28 72.204 9.269 5.972 1.00 0.00 C ATOM 0 H MET A 28 69.240 6.308 5.964 1.00 0.00 H new ATOM 0 HA MET A 28 70.361 5.070 3.566 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.607 6.577 5.923 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.487 6.049 4.502 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.845 7.386 3.071 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.137 8.008 4.548 1.00 0.00 H new ATOM 0 HE1 MET A 28 72.152 10.350 6.101 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.296 8.813 6.366 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.068 8.880 6.510 1.00 0.00 H new ATOM 442 N VAL A 29 71.802 3.191 4.599 1.00 0.00 N ATOM 443 CA VAL A 29 72.336 1.936 5.149 1.00 0.00 C ATOM 444 C VAL A 29 73.814 1.783 4.796 1.00 0.00 C ATOM 445 O VAL A 29 74.281 2.307 3.783 1.00 0.00 O ATOM 446 CB VAL A 29 71.544 0.721 4.626 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.404 0.787 3.102 1.00 0.00 C ATOM 448 CG2 VAL A 29 72.279 -0.573 5.011 1.00 0.00 C ATOM 0 H VAL A 29 72.123 3.411 3.656 1.00 0.00 H new ATOM 0 HA VAL A 29 72.232 1.976 6.233 1.00 0.00 H new ATOM 0 HB VAL A 29 70.550 0.733 5.073 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.842 -0.078 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 29 70.876 1.699 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.394 0.787 2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.720 -1.433 4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 29 73.275 -0.571 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 29 72.364 -0.634 6.096 1.00 0.00 H new ATOM 458 N GLU A 30 74.541 1.056 5.646 1.00 0.00 N ATOM 459 CA GLU A 30 75.972 0.823 5.443 1.00 0.00 C ATOM 460 C GLU A 30 76.237 -0.669 5.255 1.00 0.00 C ATOM 461 O GLU A 30 75.436 -1.507 5.670 1.00 0.00 O ATOM 462 CB GLU A 30 76.748 1.337 6.659 1.00 0.00 C ATOM 463 CG GLU A 30 76.565 2.852 6.772 1.00 0.00 C ATOM 464 CD GLU A 30 77.279 3.375 8.015 1.00 0.00 C ATOM 465 OE1 GLU A 30 77.835 2.567 8.739 1.00 0.00 O ATOM 466 OE2 GLU A 30 77.261 4.579 8.222 1.00 0.00 O ATOM 0 H GLU A 30 74.161 0.617 6.484 1.00 0.00 H new ATOM 0 HA GLU A 30 76.300 1.355 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.392 0.847 7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.806 1.093 6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.961 3.341 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.504 3.095 6.823 1.00 0.00 H new ATOM 473 N LYS A 31 77.355 -0.990 4.615 1.00 0.00 N ATOM 474 CA LYS A 31 77.717 -2.382 4.358 1.00 0.00 C ATOM 475 C LYS A 31 78.042 -3.112 5.661 1.00 0.00 C ATOM 476 O LYS A 31 79.182 -3.516 5.875 1.00 0.00 O ATOM 477 CB LYS A 31 78.944 -2.420 3.444 1.00 0.00 C ATOM 478 CG LYS A 31 79.165 -3.840 2.922 1.00 0.00 C ATOM 479 CD LYS A 31 80.336 -3.834 1.938 1.00 0.00 C ATOM 480 CE LYS A 31 80.559 -5.243 1.387 1.00 0.00 C ATOM 481 NZ LYS A 31 80.907 -6.163 2.504 1.00 0.00 N ATOM 0 H LYS A 31 78.027 -0.308 4.264 1.00 0.00 H new ATOM 0 HA LYS A 31 76.871 -2.879 3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.806 -1.734 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.825 -2.084 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.373 -4.517 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.263 -4.205 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.132 -3.142 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.239 -3.482 2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 31 79.660 -5.593 0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 31 81.359 -5.233 0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 81.349 -7.023 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 81.572 -5.690 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 80.044 -6.420 3.024 1.00 0.00 H new ATOM 495 N ASP A 32 77.040 -3.277 6.526 1.00 0.00 N ATOM 496 CA ASP A 32 77.252 -3.961 7.803 1.00 0.00 C ATOM 497 C ASP A 32 75.947 -4.114 8.580 1.00 0.00 C ATOM 498 O ASP A 32 75.733 -3.436 9.584 1.00 0.00 O ATOM 499 CB ASP A 32 78.256 -3.184 8.660 1.00 0.00 C ATOM 500 CG ASP A 32 77.743 -1.772 8.919 1.00 0.00 C ATOM 501 OD1 ASP A 32 76.710 -1.427 8.369 1.00 0.00 O ATOM 502 OD2 ASP A 32 78.395 -1.054 9.655 1.00 0.00 O ATOM 0 H ASP A 32 76.086 -2.952 6.369 1.00 0.00 H new ATOM 0 HA ASP A 32 77.643 -4.954 7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.414 -3.701 9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.221 -3.142 8.155 1.00 0.00 H new ATOM 507 N GLN A 33 75.084 -5.020 8.121 1.00 0.00 N ATOM 508 CA GLN A 33 73.809 -5.269 8.795 1.00 0.00 C ATOM 509 C GLN A 33 73.410 -6.741 8.656 1.00 0.00 C ATOM 510 O GLN A 33 73.272 -7.243 7.542 1.00 0.00 O ATOM 511 CB GLN A 33 72.706 -4.394 8.192 1.00 0.00 C ATOM 512 CG GLN A 33 72.929 -2.934 8.586 1.00 0.00 C ATOM 513 CD GLN A 33 71.799 -2.069 8.040 1.00 0.00 C ATOM 514 OE1 GLN A 33 70.881 -2.578 7.397 1.00 0.00 O ATOM 515 NE2 GLN A 33 71.807 -0.783 8.265 1.00 0.00 N ATOM 0 H GLN A 33 75.242 -5.591 7.291 1.00 0.00 H new ATOM 0 HA GLN A 33 73.931 -5.024 9.850 1.00 0.00 H new ATOM 0 HB2 GLN A 33 72.705 -4.491 7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 33 71.730 -4.730 8.543 1.00 0.00 H new ATOM 0 HG2 GLN A 33 72.975 -2.844 9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 33 73.886 -2.586 8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 33 72.569 -0.363 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 33 71.052 -0.198 7.908 1.00 0.00 H new ATOM 524 N ASP A 34 73.217 -7.432 9.788 1.00 0.00 N ATOM 525 CA ASP A 34 72.827 -8.844 9.767 1.00 0.00 C ATOM 526 C ASP A 34 71.598 -9.070 10.639 1.00 0.00 C ATOM 527 O ASP A 34 71.497 -10.077 11.340 1.00 0.00 O ATOM 528 CB ASP A 34 73.980 -9.716 10.272 1.00 0.00 C ATOM 529 CG ASP A 34 74.315 -9.366 11.721 1.00 0.00 C ATOM 530 OD1 ASP A 34 73.531 -8.669 12.341 1.00 0.00 O ATOM 531 OD2 ASP A 34 75.353 -9.805 12.188 1.00 0.00 O ATOM 0 H ASP A 34 73.324 -7.037 10.722 1.00 0.00 H new ATOM 0 HA ASP A 34 72.589 -9.120 8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 34 73.708 -10.769 10.199 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.858 -9.569 9.643 1.00 0.00 H new ATOM 536 N LEU A 35 70.659 -8.123 10.587 1.00 0.00 N ATOM 537 CA LEU A 35 69.422 -8.219 11.375 1.00 0.00 C ATOM 538 C LEU A 35 68.230 -8.461 10.453 1.00 0.00 C ATOM 539 O LEU A 35 67.122 -7.995 10.718 1.00 0.00 O ATOM 540 CB LEU A 35 69.190 -6.935 12.186 1.00 0.00 C ATOM 541 CG LEU A 35 70.343 -6.721 13.181 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.153 -5.374 13.891 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.368 -7.853 14.226 1.00 0.00 C ATOM 0 H LEU A 35 70.728 -7.284 10.011 1.00 0.00 H new ATOM 0 HA LEU A 35 69.524 -9.056 12.065 1.00 0.00 H new ATOM 0 HB2 LEU A 35 69.116 -6.080 11.514 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.244 -7.001 12.723 1.00 0.00 H new ATOM 0 HG LEU A 35 71.287 -6.725 12.637 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.968 -5.217 14.598 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.152 -4.571 13.154 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.204 -5.376 14.426 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.190 -7.687 14.923 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.425 -7.864 14.773 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.507 -8.810 13.723 1.00 0.00 H new ATOM 555 N VAL A 36 68.471 -9.198 9.369 1.00 0.00 N ATOM 556 CA VAL A 36 67.420 -9.517 8.395 1.00 0.00 C ATOM 557 C VAL A 36 67.212 -11.029 8.403 1.00 0.00 C ATOM 558 O VAL A 36 68.165 -11.796 8.271 1.00 0.00 O ATOM 559 CB VAL A 36 67.810 -8.992 6.965 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.236 -8.431 6.977 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.741 -10.112 5.909 1.00 0.00 C ATOM 0 H VAL A 36 69.386 -9.587 9.140 1.00 0.00 H new ATOM 0 HA VAL A 36 66.488 -9.022 8.666 1.00 0.00 H new ATOM 0 HB VAL A 36 67.094 -8.212 6.705 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.494 -8.071 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.297 -7.607 7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.933 -9.216 7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 36 68.017 -9.710 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 36 68.430 -10.911 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.726 -10.508 5.864 1.00 0.00 H new ATOM 571 N GLU A 37 65.962 -11.447 8.561 1.00 0.00 N ATOM 572 CA GLU A 37 65.627 -12.870 8.591 1.00 0.00 C ATOM 573 C GLU A 37 64.722 -13.229 7.425 1.00 0.00 C ATOM 574 O GLU A 37 63.650 -12.649 7.253 1.00 0.00 O ATOM 575 CB GLU A 37 64.917 -13.207 9.902 1.00 0.00 C ATOM 576 CG GLU A 37 65.903 -13.095 11.065 1.00 0.00 C ATOM 577 CD GLU A 37 65.181 -13.320 12.390 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.990 -13.576 12.358 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.833 -13.233 13.417 1.00 0.00 O ATOM 0 H GLU A 37 65.162 -10.823 8.670 1.00 0.00 H new ATOM 0 HA GLU A 37 66.551 -13.444 8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.078 -12.529 10.057 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.507 -14.216 9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.700 -13.829 10.948 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.372 -12.111 11.060 1.00 0.00 H new ATOM 586 N VAL A 38 65.161 -14.202 6.628 1.00 0.00 N ATOM 587 CA VAL A 38 64.391 -14.663 5.476 1.00 0.00 C ATOM 588 C VAL A 38 64.006 -16.124 5.677 1.00 0.00 C ATOM 589 O VAL A 38 64.845 -16.965 6.019 1.00 0.00 O ATOM 590 CB VAL A 38 65.210 -14.496 4.188 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.238 -13.019 3.789 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.647 -14.982 4.401 1.00 0.00 C ATOM 0 H VAL A 38 66.049 -14.687 6.760 1.00 0.00 H new ATOM 0 HA VAL A 38 63.485 -14.064 5.384 1.00 0.00 H new ATOM 0 HB VAL A 38 64.745 -15.089 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.819 -12.900 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.220 -12.668 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.695 -12.435 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 38 67.214 -14.857 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 38 67.114 -14.400 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.637 -16.036 4.681 1.00 0.00 H new ATOM 602 N MET A 39 62.717 -16.408 5.482 1.00 0.00 N ATOM 603 CA MET A 39 62.184 -17.760 5.653 1.00 0.00 C ATOM 604 C MET A 39 61.806 -18.354 4.301 1.00 0.00 C ATOM 605 O MET A 39 61.056 -17.751 3.535 1.00 0.00 O ATOM 606 CB MET A 39 60.951 -17.709 6.555 1.00 0.00 C ATOM 607 CG MET A 39 60.435 -19.128 6.798 1.00 0.00 C ATOM 608 SD MET A 39 59.068 -19.082 7.986 1.00 0.00 S ATOM 609 CE MET A 39 60.057 -19.352 9.478 1.00 0.00 C ATOM 0 H MET A 39 62.021 -15.716 5.204 1.00 0.00 H new ATOM 0 HA MET A 39 62.948 -18.388 6.111 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.201 -17.235 7.504 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.173 -17.103 6.091 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.100 -19.570 5.860 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.239 -19.758 7.178 1.00 0.00 H new ATOM 0 HE1 MET A 39 59.404 -19.361 10.351 1.00 0.00 H new ATOM 0 HE2 MET A 39 60.575 -20.308 9.403 1.00 0.00 H new ATOM 0 HE3 MET A 39 60.788 -18.550 9.580 1.00 0.00 H new ATOM 619 N THR A 40 62.336 -19.539 4.011 1.00 0.00 N ATOM 620 CA THR A 40 62.056 -20.214 2.742 1.00 0.00 C ATOM 621 C THR A 40 60.905 -21.201 2.917 1.00 0.00 C ATOM 622 O THR A 40 59.771 -20.929 2.523 1.00 0.00 O ATOM 623 CB THR A 40 63.313 -20.966 2.249 1.00 0.00 C ATOM 624 OG1 THR A 40 62.933 -22.215 1.684 1.00 0.00 O ATOM 625 CG2 THR A 40 64.271 -21.216 3.417 1.00 0.00 C ATOM 0 H THR A 40 62.960 -20.052 4.634 1.00 0.00 H new ATOM 0 HA THR A 40 61.776 -19.463 2.003 1.00 0.00 H new ATOM 0 HB THR A 40 63.813 -20.356 1.496 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.732 -22.689 1.371 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.153 -21.746 3.057 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.573 -20.263 3.850 1.00 0.00 H new ATOM 0 HG23 THR A 40 63.770 -21.817 4.176 1.00 0.00 H new ATOM 633 N ASP A 41 61.214 -22.349 3.517 1.00 0.00 N ATOM 634 CA ASP A 41 60.202 -23.390 3.752 1.00 0.00 C ATOM 635 C ASP A 41 59.640 -23.271 5.164 1.00 0.00 C ATOM 636 O ASP A 41 58.518 -22.804 5.357 1.00 0.00 O ATOM 637 CB ASP A 41 60.838 -24.770 3.573 1.00 0.00 C ATOM 638 CG ASP A 41 59.759 -25.848 3.600 1.00 0.00 C ATOM 639 OD1 ASP A 41 58.622 -25.511 3.885 1.00 0.00 O ATOM 640 OD2 ASP A 41 60.087 -26.992 3.335 1.00 0.00 O ATOM 0 H ASP A 41 62.149 -22.586 3.849 1.00 0.00 H new ATOM 0 HA ASP A 41 59.391 -23.262 3.035 1.00 0.00 H new ATOM 0 HB2 ASP A 41 61.380 -24.810 2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 41 61.564 -24.951 4.365 1.00 0.00 H new ATOM 645 N LYS A 42 60.436 -23.680 6.150 1.00 0.00 N ATOM 646 CA LYS A 42 60.014 -23.600 7.557 1.00 0.00 C ATOM 647 C LYS A 42 61.228 -23.435 8.466 1.00 0.00 C ATOM 648 O LYS A 42 61.384 -24.164 9.447 1.00 0.00 O ATOM 649 CB LYS A 42 59.219 -24.847 7.999 1.00 0.00 C ATOM 650 CG LYS A 42 57.889 -24.927 7.246 1.00 0.00 C ATOM 651 CD LYS A 42 57.107 -26.148 7.733 1.00 0.00 C ATOM 652 CE LYS A 42 55.753 -26.215 7.021 1.00 0.00 C ATOM 653 NZ LYS A 42 55.004 -27.409 7.504 1.00 0.00 N ATOM 0 H LYS A 42 61.369 -24.067 6.009 1.00 0.00 H new ATOM 0 HA LYS A 42 59.361 -22.732 7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.806 -25.746 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.034 -24.807 9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 42 57.309 -24.019 7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.069 -25.000 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.676 -27.057 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 42 56.959 -26.090 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.181 -25.308 7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.898 -26.274 5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 54.083 -27.459 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 55.550 -28.269 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 54.855 -27.333 8.530 1.00 0.00 H new ATOM 667 N VAL A 43 62.083 -22.467 8.142 1.00 0.00 N ATOM 668 CA VAL A 43 63.277 -22.208 8.950 1.00 0.00 C ATOM 669 C VAL A 43 63.694 -20.746 8.844 1.00 0.00 C ATOM 670 O VAL A 43 63.481 -20.101 7.818 1.00 0.00 O ATOM 671 CB VAL A 43 64.438 -23.128 8.534 1.00 0.00 C ATOM 672 CG1 VAL A 43 64.797 -22.927 7.054 1.00 0.00 C ATOM 673 CG2 VAL A 43 65.662 -22.813 9.396 1.00 0.00 C ATOM 0 H VAL A 43 61.975 -21.854 7.334 1.00 0.00 H new ATOM 0 HA VAL A 43 63.029 -22.423 9.989 1.00 0.00 H new ATOM 0 HB VAL A 43 64.129 -24.163 8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 43 65.620 -23.589 6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.930 -23.157 6.435 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.096 -21.892 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 43 66.488 -23.462 9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 43 65.950 -21.772 9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.421 -22.980 10.446 1.00 0.00 H new ATOM 683 N THR A 44 64.291 -20.228 9.915 1.00 0.00 N ATOM 684 CA THR A 44 64.739 -18.831 9.942 1.00 0.00 C ATOM 685 C THR A 44 66.263 -18.771 9.871 1.00 0.00 C ATOM 686 O THR A 44 66.955 -19.289 10.747 1.00 0.00 O ATOM 687 CB THR A 44 64.260 -18.158 11.235 1.00 0.00 C ATOM 688 OG1 THR A 44 62.924 -18.559 11.509 1.00 0.00 O ATOM 689 CG2 THR A 44 64.299 -16.636 11.078 1.00 0.00 C ATOM 0 H THR A 44 64.477 -20.748 10.773 1.00 0.00 H new ATOM 0 HA THR A 44 64.319 -18.308 9.083 1.00 0.00 H new ATOM 0 HB THR A 44 64.915 -18.456 12.054 1.00 0.00 H new ATOM 0 HG1 THR A 44 62.617 -18.131 12.336 1.00 0.00 H new ATOM 0 HG21 THR A 44 63.957 -16.166 12.000 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.320 -16.318 10.865 1.00 0.00 H new ATOM 0 HG23 THR A 44 63.648 -16.338 10.256 1.00 0.00 H new ATOM 697 N VAL A 45 66.779 -18.136 8.819 1.00 0.00 N ATOM 698 CA VAL A 45 68.233 -18.011 8.631 1.00 0.00 C ATOM 699 C VAL A 45 68.648 -16.545 8.493 1.00 0.00 C ATOM 700 O VAL A 45 68.031 -15.781 7.752 1.00 0.00 O ATOM 701 CB VAL A 45 68.668 -18.786 7.385 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.368 -20.274 7.583 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.911 -18.273 6.160 1.00 0.00 C ATOM 0 H VAL A 45 66.220 -17.701 8.085 1.00 0.00 H new ATOM 0 HA VAL A 45 68.723 -18.427 9.511 1.00 0.00 H new ATOM 0 HB VAL A 45 69.737 -18.643 7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.677 -20.828 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.915 -20.643 8.451 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.299 -20.411 7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 45 68.227 -18.830 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.840 -18.409 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 45 68.126 -17.214 6.017 1.00 0.00 H new ATOM 713 N LYS A 46 69.707 -16.168 9.215 1.00 0.00 N ATOM 714 CA LYS A 46 70.224 -14.797 9.182 1.00 0.00 C ATOM 715 C LYS A 46 71.370 -14.684 8.181 1.00 0.00 C ATOM 716 O LYS A 46 72.248 -15.545 8.133 1.00 0.00 O ATOM 717 CB LYS A 46 70.730 -14.402 10.572 1.00 0.00 C ATOM 718 CG LYS A 46 69.545 -14.194 11.516 1.00 0.00 C ATOM 719 CD LYS A 46 70.066 -13.861 12.915 1.00 0.00 C ATOM 720 CE LYS A 46 68.888 -13.601 13.855 1.00 0.00 C ATOM 721 NZ LYS A 46 69.407 -13.262 15.210 1.00 0.00 N ATOM 0 H LYS A 46 70.224 -16.795 9.831 1.00 0.00 H new ATOM 0 HA LYS A 46 69.418 -14.129 8.878 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.387 -15.179 10.964 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.320 -13.488 10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 46 68.911 -13.387 11.150 1.00 0.00 H new ATOM 0 HG3 LYS A 46 68.929 -15.093 11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 46 70.671 -14.685 13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 46 70.712 -12.984 12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 46 68.276 -12.784 13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 46 68.248 -14.482 13.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.609 -13.084 15.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 69.974 -14.055 15.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.001 -12.410 15.151 1.00 0.00 H new ATOM 735 N ILE A 47 71.355 -13.620 7.371 1.00 0.00 N ATOM 736 CA ILE A 47 72.402 -13.409 6.361 1.00 0.00 C ATOM 737 C ILE A 47 72.862 -11.939 6.365 1.00 0.00 C ATOM 738 O ILE A 47 72.024 -11.035 6.375 1.00 0.00 O ATOM 739 CB ILE A 47 71.853 -13.764 4.968 1.00 0.00 C ATOM 740 CG1 ILE A 47 71.245 -15.174 4.993 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.980 -13.724 3.937 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.498 -15.439 3.683 1.00 0.00 C ATOM 0 H ILE A 47 70.637 -12.896 7.393 1.00 0.00 H new ATOM 0 HA ILE A 47 73.252 -14.049 6.599 1.00 0.00 H new ATOM 0 HB ILE A 47 71.086 -13.038 4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 47 72.031 -15.917 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.563 -15.271 5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.583 -13.976 2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 47 73.411 -12.723 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.751 -14.444 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 47 70.068 -16.441 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.701 -14.705 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 47 71.192 -15.361 2.846 1.00 0.00 H new ATOM 754 N PRO A 48 74.156 -11.666 6.351 1.00 0.00 N ATOM 755 CA PRO A 48 74.675 -10.260 6.344 1.00 0.00 C ATOM 756 C PRO A 48 74.512 -9.618 4.965 1.00 0.00 C ATOM 757 O PRO A 48 74.576 -10.307 3.948 1.00 0.00 O ATOM 758 CB PRO A 48 76.152 -10.429 6.726 1.00 0.00 C ATOM 759 CG PRO A 48 76.523 -11.769 6.184 1.00 0.00 C ATOM 760 CD PRO A 48 75.272 -12.640 6.338 1.00 0.00 C ATOM 0 HA PRO A 48 74.139 -9.599 7.025 1.00 0.00 H new ATOM 0 HB2 PRO A 48 76.767 -9.641 6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.291 -10.385 7.806 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.825 -11.699 5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 48 77.365 -12.193 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 48 75.175 -13.348 5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 48 75.303 -13.224 7.258 1.00 0.00 H new ATOM 768 N SER A 49 74.287 -8.302 4.932 1.00 0.00 N ATOM 769 CA SER A 49 74.104 -7.588 3.665 1.00 0.00 C ATOM 770 C SER A 49 75.417 -6.926 3.198 1.00 0.00 C ATOM 771 O SER A 49 75.840 -5.926 3.779 1.00 0.00 O ATOM 772 CB SER A 49 73.038 -6.504 3.854 1.00 0.00 C ATOM 773 OG SER A 49 72.002 -7.003 4.689 1.00 0.00 O ATOM 0 H SER A 49 74.227 -7.712 5.762 1.00 0.00 H new ATOM 0 HA SER A 49 73.794 -8.307 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.483 -5.614 4.300 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.630 -6.207 2.888 1.00 0.00 H new ATOM 0 HG SER A 49 72.297 -6.983 5.623 1.00 0.00 H new ATOM 779 N PRO A 50 76.064 -7.436 2.163 1.00 0.00 N ATOM 780 CA PRO A 50 77.331 -6.840 1.638 1.00 0.00 C ATOM 781 C PRO A 50 77.046 -5.729 0.622 1.00 0.00 C ATOM 782 O PRO A 50 77.689 -5.656 -0.426 1.00 0.00 O ATOM 783 CB PRO A 50 78.003 -8.033 0.957 1.00 0.00 C ATOM 784 CG PRO A 50 76.867 -8.845 0.417 1.00 0.00 C ATOM 785 CD PRO A 50 75.684 -8.629 1.376 1.00 0.00 C ATOM 0 HA PRO A 50 77.939 -6.375 2.414 1.00 0.00 H new ATOM 0 HB2 PRO A 50 78.673 -7.710 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 50 78.601 -8.608 1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 50 76.610 -8.529 -0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 50 77.135 -9.900 0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 50 74.754 -8.466 0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 50 75.529 -9.496 2.018 1.00 0.00 H new ATOM 793 N VAL A 51 76.053 -4.884 0.911 1.00 0.00 N ATOM 794 CA VAL A 51 75.670 -3.818 -0.018 1.00 0.00 C ATOM 795 C VAL A 51 75.454 -2.484 0.707 1.00 0.00 C ATOM 796 O VAL A 51 75.170 -2.457 1.906 1.00 0.00 O ATOM 797 CB VAL A 51 74.381 -4.254 -0.705 1.00 0.00 C ATOM 798 CG1 VAL A 51 74.627 -5.580 -1.424 1.00 0.00 C ATOM 799 CG2 VAL A 51 73.302 -4.457 0.360 1.00 0.00 C ATOM 0 H VAL A 51 75.505 -4.916 1.771 1.00 0.00 H new ATOM 0 HA VAL A 51 76.470 -3.659 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 51 74.062 -3.497 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 51 73.710 -5.901 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.414 -5.451 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 51 74.932 -6.335 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.373 -4.769 -0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 51 73.625 -5.225 1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 51 73.138 -3.521 0.895 1.00 0.00 H new ATOM 809 N ARG A 52 75.590 -1.379 -0.034 1.00 0.00 N ATOM 810 CA ARG A 52 75.410 -0.043 0.537 1.00 0.00 C ATOM 811 C ARG A 52 74.992 0.949 -0.554 1.00 0.00 C ATOM 812 O ARG A 52 75.379 0.798 -1.713 1.00 0.00 O ATOM 813 CB ARG A 52 76.725 0.408 1.191 1.00 0.00 C ATOM 814 CG ARG A 52 77.826 0.537 0.132 1.00 0.00 C ATOM 815 CD ARG A 52 79.124 0.980 0.809 1.00 0.00 C ATOM 816 NE ARG A 52 80.191 1.120 -0.176 1.00 0.00 N ATOM 817 CZ ARG A 52 81.403 1.529 0.177 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.646 1.873 1.412 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.354 1.595 -0.715 1.00 0.00 N ATOM 0 H ARG A 52 75.823 -1.385 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 52 74.623 -0.074 1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.580 1.364 1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.026 -0.311 1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.973 -0.417 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.533 1.261 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.968 1.929 1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.413 0.251 1.566 1.00 0.00 H new ATOM 0 HE ARG A 52 80.002 0.899 -1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.903 1.828 2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 52 82.579 2.187 1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.165 1.332 -1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 52 83.286 1.909 -0.445 1.00 0.00 H new ATOM 833 N GLY A 53 74.207 1.966 -0.186 1.00 0.00 N ATOM 834 CA GLY A 53 73.767 2.961 -1.164 1.00 0.00 C ATOM 835 C GLY A 53 72.560 3.763 -0.659 1.00 0.00 C ATOM 836 O GLY A 53 72.559 4.244 0.475 1.00 0.00 O ATOM 0 H GLY A 53 73.869 2.120 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.589 3.642 -1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.507 2.462 -2.098 1.00 0.00 H new ATOM 840 N LYS A 54 71.534 3.917 -1.511 1.00 0.00 N ATOM 841 CA LYS A 54 70.332 4.677 -1.148 1.00 0.00 C ATOM 842 C LYS A 54 69.082 3.861 -1.466 1.00 0.00 C ATOM 843 O LYS A 54 68.997 3.241 -2.526 1.00 0.00 O ATOM 844 CB LYS A 54 70.314 5.990 -1.944 1.00 0.00 C ATOM 845 CG LYS A 54 69.372 7.003 -1.284 1.00 0.00 C ATOM 846 CD LYS A 54 69.494 8.345 -2.009 1.00 0.00 C ATOM 847 CE LYS A 54 68.555 9.365 -1.363 1.00 0.00 C ATOM 848 NZ LYS A 54 68.673 10.669 -2.073 1.00 0.00 N ATOM 0 H LYS A 54 71.515 3.526 -2.453 1.00 0.00 H new ATOM 0 HA LYS A 54 70.345 4.893 -0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.321 6.403 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.992 5.798 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.344 6.644 -1.327 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.625 7.120 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.523 8.702 -1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.246 8.224 -3.063 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.526 9.007 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 54 68.805 9.489 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 68.035 11.362 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 69.653 11.012 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.414 10.545 -3.073 1.00 0.00 H new ATOM 862 N ILE A 55 68.114 3.840 -0.543 1.00 0.00 N ATOM 863 CA ILE A 55 66.890 3.067 -0.760 1.00 0.00 C ATOM 864 C ILE A 55 65.820 3.946 -1.413 1.00 0.00 C ATOM 865 O ILE A 55 65.437 4.982 -0.869 1.00 0.00 O ATOM 866 CB ILE A 55 66.384 2.535 0.590 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.581 2.106 1.448 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.469 1.329 0.361 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.488 1.152 0.663 1.00 0.00 C ATOM 0 H ILE A 55 68.153 4.340 0.345 1.00 0.00 H new ATOM 0 HA ILE A 55 67.103 2.230 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 55 65.826 3.320 1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.148 2.984 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.229 1.618 2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.113 0.955 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.618 1.629 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.024 0.543 -0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.332 0.857 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.922 0.266 0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.856 1.654 -0.232 1.00 0.00 H new ATOM 881 N VAL A 56 65.366 3.542 -2.603 1.00 0.00 N ATOM 882 CA VAL A 56 64.368 4.320 -3.342 1.00 0.00 C ATOM 883 C VAL A 56 62.931 4.005 -2.901 1.00 0.00 C ATOM 884 O VAL A 56 62.153 4.924 -2.649 1.00 0.00 O ATOM 885 CB VAL A 56 64.526 4.063 -4.858 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.292 4.570 -5.622 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.767 4.808 -5.377 1.00 0.00 C ATOM 0 H VAL A 56 65.670 2.689 -3.072 1.00 0.00 H new ATOM 0 HA VAL A 56 64.546 5.372 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 56 64.633 2.990 -5.018 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.421 4.381 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.404 4.048 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.175 5.641 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.879 4.627 -6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.650 5.877 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.653 4.448 -4.853 1.00 0.00 H new ATOM 897 N LYS A 57 62.559 2.724 -2.840 1.00 0.00 N ATOM 898 CA LYS A 57 61.188 2.380 -2.463 1.00 0.00 C ATOM 899 C LYS A 57 61.056 0.907 -2.074 1.00 0.00 C ATOM 900 O LYS A 57 61.865 0.071 -2.474 1.00 0.00 O ATOM 901 CB LYS A 57 60.249 2.696 -3.636 1.00 0.00 C ATOM 902 CG LYS A 57 58.789 2.513 -3.206 1.00 0.00 C ATOM 903 CD LYS A 57 57.860 2.924 -4.351 1.00 0.00 C ATOM 904 CE LYS A 57 56.405 2.755 -3.907 1.00 0.00 C ATOM 905 NZ LYS A 57 55.496 3.191 -5.005 1.00 0.00 N ATOM 0 H LYS A 57 63.167 1.930 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 57 60.916 2.974 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.411 3.719 -3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.473 2.041 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.608 1.474 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.582 3.116 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.048 3.960 -4.633 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.057 2.313 -5.232 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.210 1.713 -3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.217 3.344 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.507 3.076 -4.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.676 4.191 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.670 2.611 -5.850 1.00 0.00 H new ATOM 919 N ILE A 58 60.019 0.606 -1.285 1.00 0.00 N ATOM 920 CA ILE A 58 59.753 -0.756 -0.822 1.00 0.00 C ATOM 921 C ILE A 58 58.417 -1.260 -1.380 1.00 0.00 C ATOM 922 O ILE A 58 57.370 -0.651 -1.160 1.00 0.00 O ATOM 923 CB ILE A 58 59.729 -0.746 0.715 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.947 -2.162 1.253 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.393 -0.180 1.224 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.623 -2.216 2.753 1.00 0.00 C ATOM 0 H ILE A 58 59.346 1.296 -0.952 1.00 0.00 H new ATOM 0 HA ILE A 58 60.534 -1.430 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 58 60.535 -0.107 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.315 -2.866 0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.980 -2.467 1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.390 -0.179 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.267 0.840 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.573 -0.799 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.782 -3.229 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 58 60.274 -1.526 3.291 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.583 -1.931 2.911 1.00 0.00 H new ATOM 938 N LEU A 59 58.462 -2.375 -2.109 1.00 0.00 N ATOM 939 CA LEU A 59 57.253 -2.957 -2.699 1.00 0.00 C ATOM 940 C LEU A 59 56.715 -4.102 -1.841 1.00 0.00 C ATOM 941 O LEU A 59 55.567 -4.516 -1.995 1.00 0.00 O ATOM 942 CB LEU A 59 57.564 -3.477 -4.105 1.00 0.00 C ATOM 943 CG LEU A 59 57.928 -2.302 -5.026 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.431 -2.847 -6.368 1.00 0.00 C ATOM 945 CD2 LEU A 59 56.699 -1.397 -5.256 1.00 0.00 C ATOM 0 H LEU A 59 59.318 -2.893 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 59 56.492 -2.178 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.389 -4.189 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.701 -4.010 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 59 58.711 -1.709 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.690 -2.016 -7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.312 -3.467 -6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.649 -3.446 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 59 56.974 -0.570 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 59 55.902 -1.977 -5.720 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.353 -1.004 -4.300 1.00 0.00 H new ATOM 957 N TYR A 60 57.555 -4.620 -0.941 1.00 0.00 N ATOM 958 CA TYR A 60 57.162 -5.734 -0.069 1.00 0.00 C ATOM 959 C TYR A 60 56.946 -5.271 1.372 1.00 0.00 C ATOM 960 O TYR A 60 57.643 -4.387 1.871 1.00 0.00 O ATOM 961 CB TYR A 60 58.242 -6.830 -0.112 1.00 0.00 C ATOM 962 CG TYR A 60 58.055 -7.677 -1.361 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.284 -7.114 -2.630 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.647 -9.020 -1.259 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.108 -7.888 -3.782 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.474 -9.787 -2.416 1.00 0.00 C ATOM 967 CZ TYR A 60 57.704 -9.223 -3.677 1.00 0.00 C ATOM 968 OH TYR A 60 57.537 -9.987 -4.816 1.00 0.00 O ATOM 0 H TYR A 60 58.509 -4.288 -0.796 1.00 0.00 H new ATOM 0 HA TYR A 60 56.216 -6.133 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.234 -6.378 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.176 -7.456 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.596 -6.083 -2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.468 -9.458 -0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.285 -7.454 -4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.162 -10.818 -2.336 1.00 0.00 H new ATOM 0 HH TYR A 60 57.961 -9.537 -5.577 1.00 0.00 H new ATOM 978 N ARG A 61 55.962 -5.888 2.030 1.00 0.00 N ATOM 979 CA ARG A 61 55.626 -5.562 3.418 1.00 0.00 C ATOM 980 C ARG A 61 55.695 -6.813 4.287 1.00 0.00 C ATOM 981 O ARG A 61 55.678 -7.937 3.786 1.00 0.00 O ATOM 982 CB ARG A 61 54.215 -4.975 3.482 1.00 0.00 C ATOM 983 CG ARG A 61 54.197 -3.609 2.794 1.00 0.00 C ATOM 984 CD ARG A 61 52.776 -3.047 2.822 1.00 0.00 C ATOM 985 NE ARG A 61 52.725 -1.764 2.130 1.00 0.00 N ATOM 986 CZ ARG A 61 51.567 -1.154 1.902 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.455 -1.690 2.325 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.542 -0.015 1.266 1.00 0.00 N ATOM 0 H ARG A 61 55.381 -6.620 1.621 1.00 0.00 H new ATOM 0 HA ARG A 61 56.344 -4.831 3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.508 -5.648 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.898 -4.875 4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.880 -2.926 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.543 -3.703 1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.090 -3.750 2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.446 -2.925 3.854 1.00 0.00 H new ATOM 0 HE ARG A 61 53.592 -1.328 1.816 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.476 -2.576 2.830 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.565 -1.223 2.151 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.412 0.408 0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 61 50.652 0.452 1.092 1.00 0.00 H new ATOM 1002 N GLU A 62 55.791 -6.602 5.593 1.00 0.00 N ATOM 1003 CA GLU A 62 55.883 -7.709 6.541 1.00 0.00 C ATOM 1004 C GLU A 62 54.684 -8.646 6.423 1.00 0.00 C ATOM 1005 O GLU A 62 53.540 -8.200 6.326 1.00 0.00 O ATOM 1006 CB GLU A 62 55.944 -7.172 7.976 1.00 0.00 C ATOM 1007 CG GLU A 62 57.261 -6.428 8.202 1.00 0.00 C ATOM 1008 CD GLU A 62 57.302 -5.848 9.610 1.00 0.00 C ATOM 1009 OE1 GLU A 62 56.361 -6.078 10.353 1.00 0.00 O ATOM 1010 OE2 GLU A 62 58.273 -5.180 9.926 1.00 0.00 O ATOM 0 H GLU A 62 55.807 -5.677 6.022 1.00 0.00 H new ATOM 0 HA GLU A 62 56.791 -8.264 6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 62 55.103 -6.503 8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.856 -7.995 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 62 58.101 -7.107 8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.366 -5.629 7.468 1.00 0.00 H new ATOM 1017 N GLY A 63 54.953 -9.953 6.459 1.00 0.00 N ATOM 1018 CA GLY A 63 53.879 -10.950 6.385 1.00 0.00 C ATOM 1019 C GLY A 63 53.486 -11.280 4.946 1.00 0.00 C ATOM 1020 O GLY A 63 52.534 -12.027 4.722 1.00 0.00 O ATOM 0 H GLY A 63 55.892 -10.344 6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.199 -11.862 6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 63 53.005 -10.579 6.921 1.00 0.00 H new ATOM 1024 N GLN A 64 54.207 -10.726 3.970 1.00 0.00 N ATOM 1025 CA GLN A 64 53.888 -10.989 2.563 1.00 0.00 C ATOM 1026 C GLN A 64 54.639 -12.222 2.064 1.00 0.00 C ATOM 1027 O GLN A 64 55.818 -12.407 2.367 1.00 0.00 O ATOM 1028 CB GLN A 64 54.259 -9.775 1.710 1.00 0.00 C ATOM 1029 CG GLN A 64 53.738 -9.981 0.288 1.00 0.00 C ATOM 1030 CD GLN A 64 54.080 -8.775 -0.579 1.00 0.00 C ATOM 1031 OE1 GLN A 64 55.219 -8.311 -0.577 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.154 -8.231 -1.320 1.00 0.00 N ATOM 0 H GLN A 64 55.001 -10.104 4.121 1.00 0.00 H new ATOM 0 HA GLN A 64 52.817 -11.176 2.479 1.00 0.00 H new ATOM 0 HB2 GLN A 64 53.830 -8.869 2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.341 -9.641 1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.177 -10.882 -0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 64 52.658 -10.130 0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.210 -8.617 -1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.374 -7.420 -1.898 1.00 0.00 H new ATOM 1041 N VAL A 65 53.941 -13.072 1.303 1.00 0.00 N ATOM 1042 CA VAL A 65 54.538 -14.304 0.766 1.00 0.00 C ATOM 1043 C VAL A 65 54.392 -14.347 -0.757 1.00 0.00 C ATOM 1044 O VAL A 65 53.310 -14.105 -1.289 1.00 0.00 O ATOM 1045 CB VAL A 65 53.843 -15.515 1.397 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.325 -15.386 1.241 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.317 -16.802 0.723 1.00 0.00 C ATOM 0 H VAL A 65 52.964 -12.932 1.044 1.00 0.00 H new ATOM 0 HA VAL A 65 55.600 -14.325 1.009 1.00 0.00 H new ATOM 0 HB VAL A 65 54.095 -15.551 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.838 -16.251 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 65 51.984 -14.478 1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.071 -15.338 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.817 -17.657 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.077 -16.766 -0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.395 -16.903 0.849 1.00 0.00 H new ATOM 1057 N VAL A 66 55.496 -14.639 -1.455 1.00 0.00 N ATOM 1058 CA VAL A 66 55.489 -14.683 -2.926 1.00 0.00 C ATOM 1059 C VAL A 66 56.495 -15.724 -3.459 1.00 0.00 C ATOM 1060 O VAL A 66 57.599 -15.826 -2.924 1.00 0.00 O ATOM 1061 CB VAL A 66 55.896 -13.301 -3.443 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.766 -13.238 -4.967 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.994 -12.238 -2.815 1.00 0.00 C ATOM 0 H VAL A 66 56.400 -14.847 -1.031 1.00 0.00 H new ATOM 0 HA VAL A 66 54.492 -14.962 -3.268 1.00 0.00 H new ATOM 0 HB VAL A 66 56.935 -13.117 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.060 -12.248 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.414 -13.989 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.732 -13.432 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.282 -11.253 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.956 -12.436 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.099 -12.266 -1.730 1.00 0.00 H new ATOM 1073 N PRO A 67 56.178 -16.475 -4.508 1.00 0.00 N ATOM 1074 CA PRO A 67 57.147 -17.468 -5.084 1.00 0.00 C ATOM 1075 C PRO A 67 58.507 -16.841 -5.419 1.00 0.00 C ATOM 1076 O PRO A 67 58.593 -15.665 -5.775 1.00 0.00 O ATOM 1077 CB PRO A 67 56.454 -17.972 -6.363 1.00 0.00 C ATOM 1078 CG PRO A 67 54.998 -17.737 -6.139 1.00 0.00 C ATOM 1079 CD PRO A 67 54.890 -16.495 -5.250 1.00 0.00 C ATOM 0 HA PRO A 67 57.371 -18.262 -4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.809 -17.433 -7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.661 -19.029 -6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.480 -17.583 -7.085 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.535 -18.599 -5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.756 -15.590 -5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.039 -16.561 -4.572 1.00 0.00 H new ATOM 1087 N VAL A 68 59.563 -17.644 -5.294 1.00 0.00 N ATOM 1088 CA VAL A 68 60.923 -17.177 -5.576 1.00 0.00 C ATOM 1089 C VAL A 68 61.076 -16.750 -7.035 1.00 0.00 C ATOM 1090 O VAL A 68 60.677 -17.471 -7.948 1.00 0.00 O ATOM 1091 CB VAL A 68 61.923 -18.305 -5.272 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.814 -19.403 -6.340 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.349 -17.751 -5.278 1.00 0.00 C ATOM 0 H VAL A 68 59.505 -18.619 -5.000 1.00 0.00 H new ATOM 0 HA VAL A 68 61.122 -16.312 -4.944 1.00 0.00 H new ATOM 0 HB VAL A 68 61.692 -18.721 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.525 -20.198 -6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.803 -19.810 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 68 62.036 -18.981 -7.320 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.053 -18.555 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.571 -17.328 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.441 -16.975 -4.518 1.00 0.00 H new ATOM 1103 N GLY A 69 61.679 -15.577 -7.242 1.00 0.00 N ATOM 1104 CA GLY A 69 61.912 -15.061 -8.597 1.00 0.00 C ATOM 1105 C GLY A 69 61.478 -13.601 -8.737 1.00 0.00 C ATOM 1106 O GLY A 69 60.767 -13.254 -9.681 1.00 0.00 O ATOM 0 H GLY A 69 62.014 -14.968 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.971 -15.150 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.367 -15.672 -9.316 1.00 0.00 H new ATOM 1110 N SER A 70 61.907 -12.742 -7.812 1.00 0.00 N ATOM 1111 CA SER A 70 61.539 -11.330 -7.890 1.00 0.00 C ATOM 1112 C SER A 70 62.485 -10.463 -7.065 1.00 0.00 C ATOM 1113 O SER A 70 63.198 -10.962 -6.195 1.00 0.00 O ATOM 1114 CB SER A 70 60.108 -11.146 -7.385 1.00 0.00 C ATOM 1115 OG SER A 70 59.999 -11.691 -6.076 1.00 0.00 O ATOM 0 H SER A 70 62.496 -12.992 -7.018 1.00 0.00 H new ATOM 0 HA SER A 70 61.611 -11.017 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.847 -10.088 -7.374 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.406 -11.640 -8.057 1.00 0.00 H new ATOM 0 HG SER A 70 59.295 -11.220 -5.583 1.00 0.00 H new ATOM 1121 N THR A 71 62.472 -9.156 -7.337 1.00 0.00 N ATOM 1122 CA THR A 71 63.317 -8.215 -6.601 1.00 0.00 C ATOM 1123 C THR A 71 62.496 -7.587 -5.479 1.00 0.00 C ATOM 1124 O THR A 71 61.445 -6.995 -5.722 1.00 0.00 O ATOM 1125 CB THR A 71 63.865 -7.132 -7.546 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.967 -6.487 -6.927 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.786 -6.095 -7.865 1.00 0.00 C ATOM 0 H THR A 71 61.890 -8.728 -8.057 1.00 0.00 H new ATOM 0 HA THR A 71 64.168 -8.745 -6.173 1.00 0.00 H new ATOM 0 HB THR A 71 64.180 -7.605 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.651 -5.702 -6.433 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.195 -5.338 -8.535 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.940 -6.586 -8.346 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.453 -5.621 -6.942 1.00 0.00 H new ATOM 1135 N LEU A 72 62.955 -7.766 -4.248 1.00 0.00 N ATOM 1136 CA LEU A 72 62.230 -7.264 -3.089 1.00 0.00 C ATOM 1137 C LEU A 72 62.523 -5.787 -2.841 1.00 0.00 C ATOM 1138 O LEU A 72 61.944 -5.182 -1.938 1.00 0.00 O ATOM 1139 CB LEU A 72 62.642 -8.078 -1.855 1.00 0.00 C ATOM 1140 CG LEU A 72 62.006 -9.483 -1.881 1.00 0.00 C ATOM 1141 CD1 LEU A 72 60.513 -9.412 -1.541 1.00 0.00 C ATOM 1142 CD2 LEU A 72 62.174 -10.123 -3.263 1.00 0.00 C ATOM 0 H LEU A 72 63.823 -8.253 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 72 61.162 -7.367 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.728 -8.167 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.336 -7.553 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 72 62.515 -10.091 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 72 60.086 -10.415 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 72 60.386 -8.988 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 72 60.003 -8.783 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.719 -11.114 -3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.687 -9.501 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 72 63.235 -10.211 -3.497 1.00 0.00 H new ATOM 1154 N LEU A 73 63.426 -5.210 -3.621 1.00 0.00 N ATOM 1155 CA LEU A 73 63.770 -3.803 -3.430 1.00 0.00 C ATOM 1156 C LEU A 73 64.633 -3.297 -4.591 1.00 0.00 C ATOM 1157 O LEU A 73 65.511 -4.009 -5.077 1.00 0.00 O ATOM 1158 CB LEU A 73 64.532 -3.665 -2.082 1.00 0.00 C ATOM 1159 CG LEU A 73 64.025 -2.476 -1.253 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.580 -2.593 0.171 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.509 -1.167 -1.875 1.00 0.00 C ATOM 0 H LEU A 73 63.926 -5.679 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 73 62.863 -3.199 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.418 -4.583 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.597 -3.542 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 73 62.935 -2.483 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.226 -1.753 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.239 -3.527 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.669 -2.582 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.146 -0.327 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.599 -1.154 -1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.128 -1.085 -2.893 1.00 0.00 H new ATOM 1173 N GLN A 74 64.405 -2.048 -5.001 1.00 0.00 N ATOM 1174 CA GLN A 74 65.197 -1.438 -6.073 1.00 0.00 C ATOM 1175 C GLN A 74 66.161 -0.458 -5.434 1.00 0.00 C ATOM 1176 O GLN A 74 65.748 0.442 -4.703 1.00 0.00 O ATOM 1177 CB GLN A 74 64.292 -0.709 -7.067 1.00 0.00 C ATOM 1178 CG GLN A 74 65.130 -0.190 -8.239 1.00 0.00 C ATOM 1179 CD GLN A 74 64.251 0.611 -9.192 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.648 1.607 -8.791 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.144 0.239 -10.438 1.00 0.00 N ATOM 0 H GLN A 74 63.684 -1.442 -4.611 1.00 0.00 H new ATOM 0 HA GLN A 74 65.738 -2.209 -6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.517 -1.384 -7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 74 63.786 0.120 -6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 74 65.942 0.435 -7.868 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.587 -1.026 -8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 74 64.644 -0.586 -10.769 1.00 0.00 H new ATOM 0 HE22 GLN A 74 63.560 0.773 -11.081 1.00 0.00 H new ATOM 1190 N ILE A 75 67.454 -0.660 -5.671 1.00 0.00 N ATOM 1191 CA ILE A 75 68.480 0.189 -5.058 1.00 0.00 C ATOM 1192 C ILE A 75 69.455 0.713 -6.105 1.00 0.00 C ATOM 1193 O ILE A 75 70.038 -0.054 -6.871 1.00 0.00 O ATOM 1194 CB ILE A 75 69.231 -0.649 -4.024 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.255 -1.147 -2.945 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.328 0.179 -3.357 1.00 0.00 C ATOM 1197 CD1 ILE A 75 68.894 -2.297 -2.173 1.00 0.00 C ATOM 0 H ILE A 75 67.817 -1.396 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 75 68.006 1.050 -4.587 1.00 0.00 H new ATOM 0 HB ILE A 75 69.683 -1.499 -4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.003 -0.334 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.324 -1.477 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 75 70.852 -0.434 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.034 0.524 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 75 69.882 1.039 -2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.203 -2.650 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.124 -3.112 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 75 69.813 -1.951 -1.700 1.00 0.00 H new ATOM 1209 N ASP A 76 69.638 2.028 -6.112 1.00 0.00 N ATOM 1210 CA ASP A 76 70.563 2.662 -7.054 1.00 0.00 C ATOM 1211 C ASP A 76 71.969 2.701 -6.462 1.00 0.00 C ATOM 1212 O ASP A 76 72.138 2.937 -5.266 1.00 0.00 O ATOM 1213 CB ASP A 76 70.112 4.090 -7.369 1.00 0.00 C ATOM 1214 CG ASP A 76 68.821 4.067 -8.176 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.478 3.012 -8.685 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.190 5.107 -8.273 1.00 0.00 O ATOM 0 H ASP A 76 69.164 2.675 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 76 70.569 2.076 -7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.961 4.644 -6.443 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.890 4.610 -7.928 1.00 0.00 H new ATOM 1221 N THR A 77 72.978 2.472 -7.303 1.00 0.00 N ATOM 1222 CA THR A 77 74.372 2.488 -6.847 1.00 0.00 C ATOM 1223 C THR A 77 75.234 3.313 -7.795 1.00 0.00 C ATOM 1224 O THR A 77 75.296 2.969 -8.965 1.00 0.00 O ATOM 1225 CB THR A 77 74.916 1.060 -6.774 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.154 0.317 -5.834 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.380 1.095 -6.336 1.00 0.00 C ATOM 1228 OXT THR A 77 75.815 4.285 -7.339 1.00 0.00 O ATOM 0 H THR A 77 72.860 2.274 -8.297 1.00 0.00 H new ATOM 0 HA THR A 77 74.405 2.939 -5.855 1.00 0.00 H new ATOM 0 HB THR A 77 74.845 0.589 -7.754 1.00 0.00 H new ATOM 0 HG1 THR A 77 74.498 -0.599 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.769 0.078 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 77 76.962 1.669 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.455 1.563 -5.354 1.00 0.00 H new