USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 583 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 192 CACA :(metal ligand) USER MOD Set 1.1: A 36 MET CE :methyl 174:sc= -4.45 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= -5.98! C(o=-10!,f=-16!) USER MOD Single : A 1 ALA N :NH3+ 163:sc= -0.0524 (180deg=-0.369) USER MOD Single : A 3 GLN : amide:sc= -0.416 K(o=-0.42,f=-1.2) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.49) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot -71:sc= -0.75 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 65:sc= 0.631 USER MOD Single : A 38 SER OG : rot 85:sc= 0.881 USER MOD Single : A 42 ASN : amide:sc= -0.422! C(o=-0.42!,f=-8.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.082) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= -0.822 (180deg=-0.84) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.695 -13.492 -11.538 1.00 0.00 N ATOM 2 CA ALA A 1 -17.053 -13.113 -12.019 1.00 0.00 C ATOM 3 C ALA A 1 -17.038 -11.658 -12.464 1.00 0.00 C ATOM 4 O ALA A 1 -18.041 -10.954 -12.353 1.00 0.00 O ATOM 5 CB ALA A 1 -18.070 -13.304 -10.891 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.757 -14.365 -10.976 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.069 -13.649 -12.354 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.309 -12.727 -10.948 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.335 -13.746 -12.861 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.063 -13.026 -11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.075 -14.348 -10.579 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.797 -12.674 -10.045 1.00 0.00 H new ATOM 13 N ASP A 2 -15.889 -11.214 -12.966 1.00 0.00 N ATOM 14 CA ASP A 2 -15.746 -9.837 -13.425 1.00 0.00 C ATOM 15 C ASP A 2 -16.060 -8.877 -12.283 1.00 0.00 C ATOM 16 O ASP A 2 -16.317 -9.318 -11.164 1.00 0.00 O ATOM 17 CB ASP A 2 -16.683 -9.585 -14.606 1.00 0.00 C ATOM 18 CG ASP A 2 -16.405 -8.212 -15.207 1.00 0.00 C ATOM 19 OD1 ASP A 2 -15.247 -7.926 -15.470 1.00 0.00 O ATOM 20 OD2 ASP A 2 -17.351 -7.468 -15.392 1.00 0.00 O ATOM 0 H ASP A 2 -15.049 -11.784 -13.065 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.719 -9.670 -13.751 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.544 -10.357 -15.363 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.720 -9.644 -14.277 1.00 0.00 H new ATOM 25 N GLN A 3 -16.034 -7.569 -12.562 1.00 0.00 N ATOM 26 CA GLN A 3 -16.314 -6.564 -11.535 1.00 0.00 C ATOM 27 C GLN A 3 -15.906 -7.060 -10.147 1.00 0.00 C ATOM 28 O GLN A 3 -16.743 -7.576 -9.408 1.00 0.00 O ATOM 29 CB GLN A 3 -17.811 -6.235 -11.524 1.00 0.00 C ATOM 30 CG GLN A 3 -18.065 -5.016 -10.629 1.00 0.00 C ATOM 31 CD GLN A 3 -17.475 -3.763 -11.269 1.00 0.00 C ATOM 32 OE1 GLN A 3 -16.286 -3.485 -11.115 1.00 0.00 O ATOM 33 NE2 GLN A 3 -18.240 -2.985 -11.986 1.00 0.00 N ATOM 0 H GLN A 3 -15.823 -7.185 -13.483 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.733 -5.673 -11.774 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -18.156 -6.032 -12.538 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -18.379 -7.091 -11.159 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -19.136 -4.885 -10.475 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.619 -5.177 -9.647 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -19.225 -3.216 -12.114 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -17.852 -2.147 -12.419 1.00 0.00 H new ATOM 42 N LEU A 4 -14.624 -6.928 -9.808 1.00 0.00 N ATOM 43 CA LEU A 4 -14.122 -7.383 -8.508 1.00 0.00 C ATOM 44 C LEU A 4 -15.181 -7.201 -7.418 1.00 0.00 C ATOM 45 O LEU A 4 -15.976 -6.264 -7.476 1.00 0.00 O ATOM 46 CB LEU A 4 -12.859 -6.588 -8.158 1.00 0.00 C ATOM 47 CG LEU A 4 -11.643 -7.186 -8.895 1.00 0.00 C ATOM 48 CD1 LEU A 4 -11.308 -8.567 -8.302 1.00 0.00 C ATOM 49 CD2 LEU A 4 -11.947 -7.336 -10.400 1.00 0.00 C ATOM 0 H LEU A 4 -13.915 -6.512 -10.412 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.886 -8.445 -8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.987 -5.542 -8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.691 -6.611 -7.081 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.793 -6.515 -8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.449 -8.988 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.073 -8.461 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.165 -9.231 -8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.079 -7.759 -10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.803 -7.997 -10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.173 -6.358 -10.825 1.00 0.00 H new ATOM 61 N THR A 5 -15.193 -8.109 -6.441 1.00 0.00 N ATOM 62 CA THR A 5 -16.176 -8.048 -5.357 1.00 0.00 C ATOM 63 C THR A 5 -15.744 -7.075 -4.269 1.00 0.00 C ATOM 64 O THR A 5 -14.615 -6.588 -4.264 1.00 0.00 O ATOM 65 CB THR A 5 -16.378 -9.432 -4.740 1.00 0.00 C ATOM 66 OG1 THR A 5 -16.693 -10.366 -5.757 1.00 0.00 O ATOM 67 CG2 THR A 5 -17.519 -9.390 -3.717 1.00 0.00 C ATOM 0 H THR A 5 -14.539 -8.889 -6.377 1.00 0.00 H new ATOM 0 HA THR A 5 -17.114 -7.697 -5.788 1.00 0.00 H new ATOM 0 HB THR A 5 -15.458 -9.733 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 5 -16.820 -11.252 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 5 -17.655 -10.381 -3.283 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.274 -8.679 -2.928 1.00 0.00 H new ATOM 0 HG23 THR A 5 -18.440 -9.081 -4.212 1.00 0.00 H new ATOM 75 N ASP A 6 -16.652 -6.824 -3.330 1.00 0.00 N ATOM 76 CA ASP A 6 -16.368 -5.936 -2.216 1.00 0.00 C ATOM 77 C ASP A 6 -15.376 -6.593 -1.274 1.00 0.00 C ATOM 78 O ASP A 6 -14.463 -5.958 -0.767 1.00 0.00 O ATOM 79 CB ASP A 6 -17.658 -5.632 -1.454 1.00 0.00 C ATOM 80 CG ASP A 6 -18.565 -4.737 -2.292 1.00 0.00 C ATOM 81 OD1 ASP A 6 -18.079 -4.180 -3.263 1.00 0.00 O ATOM 82 OD2 ASP A 6 -19.731 -4.624 -1.951 1.00 0.00 O ATOM 0 H ASP A 6 -17.590 -7.225 -3.322 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.945 -5.009 -2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -18.174 -6.561 -1.212 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.424 -5.142 -0.509 1.00 0.00 H new ATOM 87 N GLU A 7 -15.590 -7.876 -1.039 1.00 0.00 N ATOM 88 CA GLU A 7 -14.740 -8.635 -0.136 1.00 0.00 C ATOM 89 C GLU A 7 -13.272 -8.313 -0.383 1.00 0.00 C ATOM 90 O GLU A 7 -12.499 -8.167 0.556 1.00 0.00 O ATOM 91 CB GLU A 7 -14.977 -10.136 -0.348 1.00 0.00 C ATOM 92 CG GLU A 7 -14.214 -10.612 -1.588 1.00 0.00 C ATOM 93 CD GLU A 7 -14.733 -11.969 -2.030 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.877 -12.032 -2.447 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.983 -12.923 -1.940 1.00 0.00 O ATOM 0 H GLU A 7 -16.346 -8.415 -1.461 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.990 -8.363 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.647 -10.693 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.043 -10.332 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.329 -9.889 -2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.149 -10.676 -1.367 1.00 0.00 H new ATOM 102 N GLN A 8 -12.899 -8.212 -1.651 1.00 0.00 N ATOM 103 CA GLN A 8 -11.524 -7.912 -2.000 1.00 0.00 C ATOM 104 C GLN A 8 -11.157 -6.531 -1.465 1.00 0.00 C ATOM 105 O GLN A 8 -9.989 -6.226 -1.219 1.00 0.00 O ATOM 106 CB GLN A 8 -11.344 -7.961 -3.526 1.00 0.00 C ATOM 107 CG GLN A 8 -9.886 -8.285 -3.870 1.00 0.00 C ATOM 108 CD GLN A 8 -9.559 -9.729 -3.490 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.292 -10.650 -3.856 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.496 -9.986 -2.774 1.00 0.00 N ATOM 0 H GLN A 8 -13.526 -8.333 -2.447 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.865 -8.656 -1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.004 -8.715 -3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.626 -7.004 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.715 -8.135 -4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.220 -7.603 -3.341 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.889 -9.224 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.274 -10.948 -2.519 1.00 0.00 H new ATOM 119 N ILE A 9 -12.176 -5.711 -1.261 1.00 0.00 N ATOM 120 CA ILE A 9 -11.971 -4.368 -0.731 1.00 0.00 C ATOM 121 C ILE A 9 -11.821 -4.421 0.789 1.00 0.00 C ATOM 122 O ILE A 9 -10.886 -3.866 1.355 1.00 0.00 O ATOM 123 CB ILE A 9 -13.139 -3.474 -1.121 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.404 -3.630 -2.624 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.780 -2.019 -0.820 1.00 0.00 C ATOM 126 CD1 ILE A 9 -14.567 -2.726 -3.034 1.00 0.00 C ATOM 0 H ILE A 9 -13.149 -5.948 -1.453 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.057 -3.952 -1.154 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.028 -3.756 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.510 -3.370 -3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.638 -4.669 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.613 -1.374 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.574 -1.908 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.896 -1.736 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.755 -2.837 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.461 -3.008 -2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.315 -1.688 -2.816 1.00 0.00 H new ATOM 138 N SER A 10 -12.756 -5.076 1.452 1.00 0.00 N ATOM 139 CA SER A 10 -12.688 -5.175 2.892 1.00 0.00 C ATOM 140 C SER A 10 -11.360 -5.807 3.301 1.00 0.00 C ATOM 141 O SER A 10 -10.707 -5.340 4.233 1.00 0.00 O ATOM 142 CB SER A 10 -13.848 -6.018 3.398 1.00 0.00 C ATOM 143 OG SER A 10 -13.802 -6.084 4.816 1.00 0.00 O ATOM 0 H SER A 10 -13.557 -5.539 1.023 1.00 0.00 H new ATOM 0 HA SER A 10 -12.754 -4.179 3.330 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.794 -5.585 3.074 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.794 -7.021 2.975 1.00 0.00 H new ATOM 0 HG SER A 10 -14.550 -6.626 5.143 1.00 0.00 H new ATOM 149 N GLU A 11 -10.948 -6.856 2.586 1.00 0.00 N ATOM 150 CA GLU A 11 -9.682 -7.517 2.890 1.00 0.00 C ATOM 151 C GLU A 11 -8.532 -6.543 2.663 1.00 0.00 C ATOM 152 O GLU A 11 -7.613 -6.447 3.477 1.00 0.00 O ATOM 153 CB GLU A 11 -9.500 -8.753 2.001 1.00 0.00 C ATOM 154 CG GLU A 11 -10.534 -9.826 2.362 1.00 0.00 C ATOM 155 CD GLU A 11 -10.291 -10.338 3.778 1.00 0.00 C ATOM 156 OE1 GLU A 11 -9.185 -10.169 4.264 1.00 0.00 O ATOM 157 OE2 GLU A 11 -11.214 -10.890 4.352 1.00 0.00 O ATOM 0 H GLU A 11 -11.465 -7.259 1.805 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.689 -7.835 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.606 -8.474 0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.493 -9.153 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.540 -9.413 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.474 -10.652 1.654 1.00 0.00 H new ATOM 164 N PHE A 12 -8.613 -5.794 1.567 1.00 0.00 N ATOM 165 CA PHE A 12 -7.593 -4.803 1.250 1.00 0.00 C ATOM 166 C PHE A 12 -7.435 -3.843 2.432 1.00 0.00 C ATOM 167 O PHE A 12 -6.321 -3.533 2.861 1.00 0.00 O ATOM 168 CB PHE A 12 -8.060 -4.033 0.003 1.00 0.00 C ATOM 169 CG PHE A 12 -7.627 -4.709 -1.280 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.386 -6.094 -1.353 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.492 -3.923 -2.422 1.00 0.00 C ATOM 172 CE1 PHE A 12 -7.003 -6.666 -2.572 1.00 0.00 C ATOM 173 CE2 PHE A 12 -7.116 -4.498 -3.632 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.869 -5.862 -3.711 1.00 0.00 C ATOM 0 H PHE A 12 -9.371 -5.855 0.887 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.632 -5.281 1.059 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.146 -3.946 0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.659 -3.020 0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.496 -6.712 -0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.680 -2.861 -2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.811 -7.727 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.016 -3.881 -4.513 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.573 -6.303 -4.651 1.00 0.00 H new ATOM 184 N LYS A 13 -8.570 -3.391 2.941 1.00 0.00 N ATOM 185 CA LYS A 13 -8.622 -2.464 4.068 1.00 0.00 C ATOM 186 C LYS A 13 -8.021 -3.070 5.330 1.00 0.00 C ATOM 187 O LYS A 13 -7.306 -2.392 6.070 1.00 0.00 O ATOM 188 CB LYS A 13 -10.080 -2.092 4.304 1.00 0.00 C ATOM 189 CG LYS A 13 -10.192 -0.999 5.366 1.00 0.00 C ATOM 190 CD LYS A 13 -11.670 -0.641 5.565 1.00 0.00 C ATOM 191 CE LYS A 13 -12.170 0.232 4.405 1.00 0.00 C ATOM 192 NZ LYS A 13 -13.487 0.823 4.763 1.00 0.00 N ATOM 0 H LYS A 13 -9.488 -3.656 2.584 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.031 -1.580 3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.528 -1.748 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.639 -2.973 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.759 -1.342 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.630 -0.117 5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.266 -1.551 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.799 -0.111 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.450 1.022 4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.262 -0.366 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.827 1.415 3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.172 0.061 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.385 1.407 5.618 1.00 0.00 H new ATOM 206 N GLU A 14 -8.295 -4.346 5.571 1.00 0.00 N ATOM 207 CA GLU A 14 -7.751 -5.009 6.749 1.00 0.00 C ATOM 208 C GLU A 14 -6.227 -5.014 6.669 1.00 0.00 C ATOM 209 O GLU A 14 -5.536 -4.697 7.639 1.00 0.00 O ATOM 210 CB GLU A 14 -8.270 -6.452 6.836 1.00 0.00 C ATOM 211 CG GLU A 14 -9.763 -6.468 7.189 1.00 0.00 C ATOM 212 CD GLU A 14 -10.274 -7.907 7.200 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.467 -8.803 7.014 1.00 0.00 O ATOM 214 OE2 GLU A 14 -11.464 -8.090 7.401 1.00 0.00 O ATOM 0 H GLU A 14 -8.880 -4.934 4.978 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.070 -4.468 7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.110 -6.960 5.885 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.707 -7.002 7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.921 -6.008 8.165 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.324 -5.878 6.464 1.00 0.00 H new ATOM 221 N ALA A 15 -5.720 -5.349 5.486 1.00 0.00 N ATOM 222 CA ALA A 15 -4.282 -5.382 5.244 1.00 0.00 C ATOM 223 C ALA A 15 -3.667 -4.018 5.532 1.00 0.00 C ATOM 224 O ALA A 15 -2.591 -3.912 6.119 1.00 0.00 O ATOM 225 CB ALA A 15 -4.024 -5.759 3.779 1.00 0.00 C ATOM 0 H ALA A 15 -6.287 -5.602 4.677 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.827 -6.121 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.950 -5.785 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.451 -6.741 3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.487 -5.019 3.126 1.00 0.00 H new ATOM 231 N PHE A 16 -4.340 -2.976 5.079 1.00 0.00 N ATOM 232 CA PHE A 16 -3.858 -1.619 5.258 1.00 0.00 C ATOM 233 C PHE A 16 -3.938 -1.132 6.718 1.00 0.00 C ATOM 234 O PHE A 16 -2.952 -0.625 7.252 1.00 0.00 O ATOM 235 CB PHE A 16 -4.656 -0.707 4.334 1.00 0.00 C ATOM 236 CG PHE A 16 -4.265 0.724 4.574 1.00 0.00 C ATOM 237 CD1 PHE A 16 -4.868 1.445 5.606 1.00 0.00 C ATOM 238 CD2 PHE A 16 -3.301 1.327 3.764 1.00 0.00 C ATOM 239 CE1 PHE A 16 -4.504 2.778 5.827 1.00 0.00 C ATOM 240 CE2 PHE A 16 -2.936 2.657 3.982 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.537 3.384 5.013 1.00 0.00 C ATOM 0 H PHE A 16 -5.228 -3.045 4.581 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.798 -1.595 5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.471 -0.975 3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.724 -0.837 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.613 0.976 6.232 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.837 0.764 2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.968 3.340 6.624 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.190 3.123 3.355 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.256 4.413 5.183 1.00 0.00 H new ATOM 251 N SER A 17 -5.090 -1.297 7.375 1.00 0.00 N ATOM 252 CA SER A 17 -5.204 -0.866 8.775 1.00 0.00 C ATOM 253 C SER A 17 -4.170 -1.607 9.595 1.00 0.00 C ATOM 254 O SER A 17 -3.568 -1.065 10.522 1.00 0.00 O ATOM 255 CB SER A 17 -6.610 -1.137 9.336 1.00 0.00 C ATOM 256 OG SER A 17 -6.805 -0.365 10.518 1.00 0.00 O ATOM 0 H SER A 17 -5.933 -1.712 6.978 1.00 0.00 H new ATOM 0 HA SER A 17 -5.032 0.209 8.827 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.365 -0.882 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.727 -2.198 9.558 1.00 0.00 H new ATOM 0 HG SER A 17 -7.701 -0.535 10.876 1.00 0.00 H new ATOM 262 N LEU A 18 -3.953 -2.851 9.205 1.00 0.00 N ATOM 263 CA LEU A 18 -2.979 -3.708 9.846 1.00 0.00 C ATOM 264 C LEU A 18 -1.590 -3.096 9.691 1.00 0.00 C ATOM 265 O LEU A 18 -0.817 -3.025 10.647 1.00 0.00 O ATOM 266 CB LEU A 18 -3.081 -5.071 9.142 1.00 0.00 C ATOM 267 CG LEU A 18 -2.053 -6.092 9.637 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.410 -6.556 11.053 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.085 -7.288 8.678 1.00 0.00 C ATOM 0 H LEU A 18 -4.450 -3.294 8.432 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.161 -3.822 10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.083 -5.474 9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.952 -4.928 8.069 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.059 -5.645 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.672 -7.282 11.395 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.415 -5.699 11.726 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.397 -7.018 11.046 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.362 -8.035 9.004 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.083 -7.726 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.833 -6.954 7.671 1.00 0.00 H new ATOM 281 N PHE A 19 -1.292 -2.626 8.480 1.00 0.00 N ATOM 282 CA PHE A 19 0.004 -2.007 8.212 1.00 0.00 C ATOM 283 C PHE A 19 0.230 -0.806 9.115 1.00 0.00 C ATOM 284 O PHE A 19 1.370 -0.429 9.372 1.00 0.00 O ATOM 285 CB PHE A 19 0.112 -1.565 6.740 1.00 0.00 C ATOM 286 CG PHE A 19 0.284 -2.760 5.801 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.008 -4.074 6.219 1.00 0.00 C ATOM 288 CD2 PHE A 19 0.748 -2.545 4.491 1.00 0.00 C ATOM 289 CE1 PHE A 19 0.158 -5.144 5.342 1.00 0.00 C ATOM 290 CE2 PHE A 19 0.912 -3.628 3.615 1.00 0.00 C ATOM 291 CZ PHE A 19 0.614 -4.926 4.041 1.00 0.00 C ATOM 0 H PHE A 19 -1.922 -2.661 7.679 1.00 0.00 H new ATOM 0 HA PHE A 19 0.770 -2.756 8.416 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.783 -1.009 6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.958 -0.887 6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.362 -4.252 7.224 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.979 -1.544 4.159 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.067 -6.148 5.671 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.269 -3.459 2.610 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.737 -5.759 3.364 1.00 0.00 H new ATOM 301 N ASP A 20 -0.856 -0.199 9.578 1.00 0.00 N ATOM 302 CA ASP A 20 -0.755 0.979 10.442 1.00 0.00 C ATOM 303 C ASP A 20 -0.532 0.583 11.904 1.00 0.00 C ATOM 304 O ASP A 20 -1.466 0.183 12.599 1.00 0.00 O ATOM 305 CB ASP A 20 -2.033 1.810 10.327 1.00 0.00 C ATOM 306 CG ASP A 20 -2.154 2.383 8.922 1.00 0.00 C ATOM 307 OD1 ASP A 20 -1.280 3.140 8.533 1.00 0.00 O ATOM 308 OD2 ASP A 20 -3.128 2.064 8.259 1.00 0.00 O ATOM 0 H ASP A 20 -1.810 -0.497 9.374 1.00 0.00 H new ATOM 0 HA ASP A 20 0.103 1.566 10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.901 1.191 10.553 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.019 2.618 11.059 1.00 0.00 H new ATOM 313 N LYS A 21 0.713 0.694 12.366 1.00 0.00 N ATOM 314 CA LYS A 21 1.044 0.339 13.749 1.00 0.00 C ATOM 315 C LYS A 21 0.365 1.267 14.747 1.00 0.00 C ATOM 316 O LYS A 21 0.067 0.871 15.877 1.00 0.00 O ATOM 317 CB LYS A 21 2.567 0.389 13.975 1.00 0.00 C ATOM 318 CG LYS A 21 3.255 -0.746 13.201 1.00 0.00 C ATOM 319 CD LYS A 21 3.265 -2.024 14.057 1.00 0.00 C ATOM 320 CE LYS A 21 4.508 -2.030 14.954 1.00 0.00 C ATOM 321 NZ LYS A 21 4.414 -3.142 15.937 1.00 0.00 N ATOM 0 H LYS A 21 1.503 1.023 11.811 1.00 0.00 H new ATOM 0 HA LYS A 21 0.680 -0.676 13.911 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.959 1.352 13.648 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.787 0.300 15.039 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.731 -0.929 12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.275 -0.459 12.946 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.363 -2.073 14.667 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.263 -2.905 13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.406 -2.144 14.346 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.596 -1.077 15.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.259 -3.142 16.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.566 -3.014 16.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.351 -4.048 15.431 1.00 0.00 H new ATOM 335 N ASP A 22 0.150 2.516 14.344 1.00 0.00 N ATOM 336 CA ASP A 22 -0.464 3.501 15.235 1.00 0.00 C ATOM 337 C ASP A 22 -1.929 3.736 14.880 1.00 0.00 C ATOM 338 O ASP A 22 -2.664 4.377 15.636 1.00 0.00 O ATOM 339 CB ASP A 22 0.300 4.821 15.128 1.00 0.00 C ATOM 340 CG ASP A 22 0.324 5.294 13.679 1.00 0.00 C ATOM 341 OD1 ASP A 22 -0.680 5.124 13.006 1.00 0.00 O ATOM 342 OD2 ASP A 22 1.340 5.827 13.265 1.00 0.00 O ATOM 0 H ASP A 22 0.388 2.869 13.417 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.418 3.116 16.254 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.171 5.576 15.758 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.319 4.692 15.494 1.00 0.00 H new ATOM 347 N GLY A 23 -2.349 3.215 13.732 1.00 0.00 N ATOM 348 CA GLY A 23 -3.733 3.380 13.290 1.00 0.00 C ATOM 349 C GLY A 23 -4.066 4.856 13.093 1.00 0.00 C ATOM 350 O GLY A 23 -5.109 5.331 13.544 1.00 0.00 O ATOM 0 H GLY A 23 -1.759 2.680 13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.888 2.840 12.356 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.409 2.945 14.026 1.00 0.00 H new ATOM 354 N ASP A 24 -3.166 5.584 12.429 1.00 0.00 N ATOM 355 CA ASP A 24 -3.361 7.016 12.195 1.00 0.00 C ATOM 356 C ASP A 24 -3.933 7.276 10.807 1.00 0.00 C ATOM 357 O ASP A 24 -3.848 8.391 10.292 1.00 0.00 O ATOM 358 CB ASP A 24 -2.032 7.760 12.344 1.00 0.00 C ATOM 359 CG ASP A 24 -0.996 7.192 11.380 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.297 6.205 10.732 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.085 7.755 11.304 1.00 0.00 O ATOM 0 H ASP A 24 -2.299 5.208 12.045 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.072 7.381 12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.178 8.822 12.147 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.671 7.672 13.369 1.00 0.00 H new ATOM 366 N GLY A 25 -4.512 6.244 10.205 1.00 0.00 N ATOM 367 CA GLY A 25 -5.095 6.382 8.880 1.00 0.00 C ATOM 368 C GLY A 25 -4.019 6.618 7.828 1.00 0.00 C ATOM 369 O GLY A 25 -4.328 6.898 6.669 1.00 0.00 O ATOM 0 H GLY A 25 -4.589 5.311 10.610 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.659 5.483 8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.801 7.212 8.875 1.00 0.00 H new ATOM 373 N CYS A 26 -2.749 6.504 8.229 1.00 0.00 N ATOM 374 CA CYS A 26 -1.642 6.710 7.294 1.00 0.00 C ATOM 375 C CYS A 26 -0.510 5.723 7.563 1.00 0.00 C ATOM 376 O CYS A 26 -0.246 5.358 8.709 1.00 0.00 O ATOM 377 CB CYS A 26 -1.102 8.144 7.409 1.00 0.00 C ATOM 378 SG CYS A 26 -2.476 9.319 7.313 1.00 0.00 S ATOM 0 H CYS A 26 -2.466 6.273 9.181 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.024 6.545 6.286 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.569 8.268 8.352 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.387 8.339 6.610 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.934 9.353 6.097 1.00 0.00 H new ATOM 384 N ILE A 27 0.181 5.318 6.496 1.00 0.00 N ATOM 385 CA ILE A 27 1.317 4.404 6.615 1.00 0.00 C ATOM 386 C ILE A 27 2.562 5.173 6.226 1.00 0.00 C ATOM 387 O ILE A 27 2.593 5.804 5.165 1.00 0.00 O ATOM 388 CB ILE A 27 1.166 3.199 5.668 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.099 2.413 6.015 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.377 2.264 5.791 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.332 1.335 4.953 1.00 0.00 C ATOM 0 H ILE A 27 -0.026 5.609 5.541 1.00 0.00 H new ATOM 0 HA ILE A 27 1.373 4.029 7.637 1.00 0.00 H new ATOM 0 HB ILE A 27 1.100 3.576 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.002 1.955 6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.956 3.084 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.254 1.418 5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.285 2.808 5.530 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.454 1.901 6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.233 0.772 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.451 1.805 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.522 0.658 4.928 1.00 0.00 H new ATOM 403 N THR A 28 3.595 5.131 7.055 1.00 0.00 N ATOM 404 CA THR A 28 4.818 5.834 6.717 1.00 0.00 C ATOM 405 C THR A 28 5.721 4.860 5.963 1.00 0.00 C ATOM 406 O THR A 28 5.504 3.652 6.022 1.00 0.00 O ATOM 407 CB THR A 28 5.493 6.379 7.989 1.00 0.00 C ATOM 408 OG1 THR A 28 5.826 5.300 8.847 1.00 0.00 O ATOM 409 CG2 THR A 28 4.532 7.328 8.720 1.00 0.00 C ATOM 0 H THR A 28 3.611 4.631 7.944 1.00 0.00 H new ATOM 0 HA THR A 28 4.609 6.696 6.083 1.00 0.00 H new ATOM 0 HB THR A 28 6.397 6.921 7.711 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.257 5.646 9.656 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.013 7.711 9.620 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.273 8.159 8.064 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.626 6.788 8.996 1.00 0.00 H new ATOM 417 N THR A 29 6.715 5.371 5.245 1.00 0.00 N ATOM 418 CA THR A 29 7.609 4.499 4.479 1.00 0.00 C ATOM 419 C THR A 29 8.256 3.457 5.392 1.00 0.00 C ATOM 420 O THR A 29 8.514 2.326 4.977 1.00 0.00 O ATOM 421 CB THR A 29 8.693 5.342 3.805 1.00 0.00 C ATOM 422 OG1 THR A 29 9.406 6.069 4.795 1.00 0.00 O ATOM 423 CG2 THR A 29 8.035 6.317 2.823 1.00 0.00 C ATOM 0 H THR A 29 6.923 6.367 5.175 1.00 0.00 H new ATOM 0 HA THR A 29 7.026 3.979 3.719 1.00 0.00 H new ATOM 0 HB THR A 29 9.384 4.694 3.266 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.102 6.609 4.366 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.803 6.921 2.340 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.485 5.756 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.348 6.969 3.363 1.00 0.00 H new ATOM 431 N LYS A 30 8.500 3.844 6.642 1.00 0.00 N ATOM 432 CA LYS A 30 9.107 2.938 7.616 1.00 0.00 C ATOM 433 C LYS A 30 8.180 1.762 7.890 1.00 0.00 C ATOM 434 O LYS A 30 8.590 0.600 7.829 1.00 0.00 O ATOM 435 CB LYS A 30 9.381 3.690 8.922 1.00 0.00 C ATOM 436 CG LYS A 30 10.131 2.783 9.902 1.00 0.00 C ATOM 437 CD LYS A 30 10.534 3.594 11.140 1.00 0.00 C ATOM 438 CE LYS A 30 9.307 3.850 12.021 1.00 0.00 C ATOM 439 NZ LYS A 30 9.743 4.309 13.372 1.00 0.00 N ATOM 0 H LYS A 30 8.288 4.774 7.004 1.00 0.00 H new ATOM 0 HA LYS A 30 10.046 2.563 7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.969 4.585 8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.441 4.020 9.365 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.500 1.943 10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.017 2.365 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.293 3.055 11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.977 4.542 10.835 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.667 4.602 11.560 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.715 2.939 12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.907 4.482 13.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.336 3.577 13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.290 5.189 13.280 1.00 0.00 H new ATOM 453 N GLU A 31 6.920 2.082 8.148 1.00 0.00 N ATOM 454 CA GLU A 31 5.912 1.070 8.397 1.00 0.00 C ATOM 455 C GLU A 31 5.787 0.190 7.168 1.00 0.00 C ATOM 456 O GLU A 31 5.796 -1.042 7.252 1.00 0.00 O ATOM 457 CB GLU A 31 4.582 1.770 8.677 1.00 0.00 C ATOM 458 CG GLU A 31 4.657 2.490 10.028 1.00 0.00 C ATOM 459 CD GLU A 31 3.354 3.236 10.290 1.00 0.00 C ATOM 460 OE1 GLU A 31 2.433 3.063 9.510 1.00 0.00 O ATOM 461 OE2 GLU A 31 3.293 3.961 11.270 1.00 0.00 O ATOM 0 H GLU A 31 6.573 3.040 8.190 1.00 0.00 H new ATOM 0 HA GLU A 31 6.187 0.453 9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.361 2.484 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.771 1.042 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.840 1.769 10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.494 3.189 10.032 1.00 0.00 H new ATOM 468 N LEU A 32 5.719 0.841 6.021 1.00 0.00 N ATOM 469 CA LEU A 32 5.642 0.132 4.765 1.00 0.00 C ATOM 470 C LEU A 32 6.921 -0.671 4.624 1.00 0.00 C ATOM 471 O LEU A 32 6.901 -1.847 4.261 1.00 0.00 O ATOM 472 CB LEU A 32 5.475 1.140 3.610 1.00 0.00 C ATOM 473 CG LEU A 32 5.396 0.410 2.248 1.00 0.00 C ATOM 474 CD1 LEU A 32 4.068 -0.355 2.155 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.491 1.418 1.081 1.00 0.00 C ATOM 0 H LEU A 32 5.716 1.858 5.937 1.00 0.00 H new ATOM 0 HA LEU A 32 4.783 -0.538 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.571 1.730 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.313 1.837 3.606 1.00 0.00 H new ATOM 0 HG LEU A 32 6.232 -0.286 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.011 -0.870 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.011 -1.085 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.238 0.346 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.433 0.883 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.668 2.130 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.439 1.953 1.139 1.00 0.00 H new ATOM 487 N GLY A 33 8.034 -0.033 4.959 1.00 0.00 N ATOM 488 CA GLY A 33 9.313 -0.706 4.895 1.00 0.00 C ATOM 489 C GLY A 33 9.311 -1.923 5.810 1.00 0.00 C ATOM 490 O GLY A 33 9.662 -3.014 5.381 1.00 0.00 O ATOM 0 H GLY A 33 8.073 0.937 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.520 -1.013 3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.108 -0.021 5.190 1.00 0.00 H new ATOM 494 N THR A 34 8.880 -1.746 7.063 1.00 0.00 N ATOM 495 CA THR A 34 8.827 -2.874 8.004 1.00 0.00 C ATOM 496 C THR A 34 8.148 -4.044 7.319 1.00 0.00 C ATOM 497 O THR A 34 8.613 -5.186 7.347 1.00 0.00 O ATOM 498 CB THR A 34 8.006 -2.471 9.239 1.00 0.00 C ATOM 499 OG1 THR A 34 8.657 -1.412 9.922 1.00 0.00 O ATOM 500 CG2 THR A 34 7.831 -3.662 10.186 1.00 0.00 C ATOM 0 H THR A 34 8.568 -0.853 7.445 1.00 0.00 H new ATOM 0 HA THR A 34 9.836 -3.149 8.311 1.00 0.00 H new ATOM 0 HB THR A 34 7.021 -2.142 8.907 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.676 -0.617 9.350 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.247 -3.354 11.053 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.312 -4.467 9.666 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.809 -4.013 10.514 1.00 0.00 H new ATOM 508 N VAL A 35 7.029 -3.714 6.722 1.00 0.00 N ATOM 509 CA VAL A 35 6.213 -4.682 6.020 1.00 0.00 C ATOM 510 C VAL A 35 6.916 -5.191 4.757 1.00 0.00 C ATOM 511 O VAL A 35 7.069 -6.397 4.569 1.00 0.00 O ATOM 512 CB VAL A 35 4.884 -4.011 5.686 1.00 0.00 C ATOM 513 CG1 VAL A 35 4.043 -4.890 4.765 1.00 0.00 C ATOM 514 CG2 VAL A 35 4.138 -3.744 6.991 1.00 0.00 C ATOM 0 H VAL A 35 6.655 -2.765 6.708 1.00 0.00 H new ATOM 0 HA VAL A 35 6.043 -5.556 6.648 1.00 0.00 H new ATOM 0 HB VAL A 35 5.072 -3.074 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.101 -4.388 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.586 -5.069 3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.840 -5.842 5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.184 -3.264 6.773 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.960 -4.687 7.508 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.737 -3.090 7.625 1.00 0.00 H new ATOM 524 N MET A 36 7.360 -4.283 3.905 1.00 0.00 N ATOM 525 CA MET A 36 8.042 -4.687 2.675 1.00 0.00 C ATOM 526 C MET A 36 9.318 -5.455 3.020 1.00 0.00 C ATOM 527 O MET A 36 9.628 -6.497 2.431 1.00 0.00 O ATOM 528 CB MET A 36 8.374 -3.430 1.858 1.00 0.00 C ATOM 529 CG MET A 36 7.098 -2.901 1.184 1.00 0.00 C ATOM 530 SD MET A 36 6.552 -4.056 -0.101 1.00 0.00 S ATOM 531 CE MET A 36 7.235 -3.161 -1.517 1.00 0.00 C ATOM 0 H MET A 36 7.266 -3.275 4.033 1.00 0.00 H new ATOM 0 HA MET A 36 7.397 -5.340 2.086 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.799 -2.664 2.507 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.126 -3.662 1.104 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.311 -2.772 1.927 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.287 -1.921 0.747 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.105 -3.756 -2.421 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.715 -2.210 -1.631 1.00 0.00 H new ATOM 0 HE3 MET A 36 8.297 -2.977 -1.353 1.00 0.00 H new ATOM 541 N ARG A 37 10.020 -4.936 4.015 1.00 0.00 N ATOM 542 CA ARG A 37 11.260 -5.539 4.513 1.00 0.00 C ATOM 543 C ARG A 37 11.022 -6.987 4.887 1.00 0.00 C ATOM 544 O ARG A 37 11.748 -7.891 4.474 1.00 0.00 O ATOM 545 CB ARG A 37 11.702 -4.787 5.780 1.00 0.00 C ATOM 546 CG ARG A 37 12.894 -5.488 6.450 1.00 0.00 C ATOM 547 CD ARG A 37 13.988 -5.737 5.415 1.00 0.00 C ATOM 548 NE ARG A 37 15.257 -6.007 6.074 1.00 0.00 N ATOM 549 CZ ARG A 37 15.590 -7.236 6.460 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.785 -8.236 6.231 1.00 0.00 N ATOM 551 NH2 ARG A 37 16.727 -7.441 7.066 1.00 0.00 N ATOM 0 H ARG A 37 9.751 -4.083 4.505 1.00 0.00 H new ATOM 0 HA ARG A 37 12.021 -5.479 3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.975 -3.764 5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.869 -4.728 6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.281 -4.873 7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.573 -6.432 6.890 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.713 -6.580 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.086 -4.868 4.764 1.00 0.00 H new ATOM 0 HE ARG A 37 15.905 -5.238 6.244 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.897 -8.077 5.755 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.043 -9.177 6.528 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.359 -6.660 7.243 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.984 -8.382 7.363 1.00 0.00 H new ATOM 565 N SER A 38 9.997 -7.170 5.694 1.00 0.00 N ATOM 566 CA SER A 38 9.615 -8.492 6.174 1.00 0.00 C ATOM 567 C SER A 38 9.212 -9.414 5.027 1.00 0.00 C ATOM 568 O SER A 38 9.405 -10.629 5.099 1.00 0.00 O ATOM 569 CB SER A 38 8.447 -8.366 7.153 1.00 0.00 C ATOM 570 OG SER A 38 8.910 -7.774 8.359 1.00 0.00 O ATOM 0 H SER A 38 9.405 -6.414 6.037 1.00 0.00 H new ATOM 0 HA SER A 38 10.481 -8.928 6.673 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.655 -7.758 6.716 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.020 -9.348 7.356 1.00 0.00 H new ATOM 0 HG SER A 38 8.907 -6.798 8.267 1.00 0.00 H new ATOM 576 N LEU A 39 8.621 -8.834 3.988 1.00 0.00 N ATOM 577 CA LEU A 39 8.157 -9.612 2.843 1.00 0.00 C ATOM 578 C LEU A 39 9.322 -10.086 1.968 1.00 0.00 C ATOM 579 O LEU A 39 9.183 -10.203 0.752 1.00 0.00 O ATOM 580 CB LEU A 39 7.166 -8.773 2.011 1.00 0.00 C ATOM 581 CG LEU A 39 5.807 -8.623 2.748 1.00 0.00 C ATOM 582 CD1 LEU A 39 4.935 -7.574 2.035 1.00 0.00 C ATOM 583 CD2 LEU A 39 5.050 -9.963 2.793 1.00 0.00 C ATOM 0 H LEU A 39 8.452 -7.831 3.914 1.00 0.00 H new ATOM 0 HA LEU A 39 7.652 -10.501 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.590 -7.787 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.008 -9.246 1.042 1.00 0.00 H new ATOM 0 HG LEU A 39 6.013 -8.302 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.984 -7.475 2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.450 -6.613 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.753 -7.890 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.102 -9.828 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.859 -10.307 1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.652 -10.703 3.320 1.00 0.00 H new ATOM 595 N GLY A 40 10.464 -10.378 2.592 1.00 0.00 N ATOM 596 CA GLY A 40 11.625 -10.866 1.844 1.00 0.00 C ATOM 597 C GLY A 40 12.118 -9.831 0.837 1.00 0.00 C ATOM 598 O GLY A 40 13.160 -10.013 0.206 1.00 0.00 O ATOM 0 H GLY A 40 10.610 -10.287 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.429 -11.112 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.362 -11.786 1.322 1.00 0.00 H new ATOM 602 N GLN A 41 11.362 -8.746 0.697 1.00 0.00 N ATOM 603 CA GLN A 41 11.723 -7.682 -0.230 1.00 0.00 C ATOM 604 C GLN A 41 12.763 -6.777 0.426 1.00 0.00 C ATOM 605 O GLN A 41 12.685 -6.514 1.626 1.00 0.00 O ATOM 606 CB GLN A 41 10.472 -6.872 -0.587 1.00 0.00 C ATOM 607 CG GLN A 41 10.701 -6.079 -1.873 1.00 0.00 C ATOM 608 CD GLN A 41 9.447 -5.282 -2.207 1.00 0.00 C ATOM 609 OE1 GLN A 41 8.360 -5.599 -1.721 1.00 0.00 O ATOM 610 NE2 GLN A 41 9.535 -4.261 -3.011 1.00 0.00 N ATOM 0 H GLN A 41 10.498 -8.582 1.213 1.00 0.00 H new ATOM 0 HA GLN A 41 12.142 -8.109 -1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.621 -7.541 -0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.226 -6.192 0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.551 -5.407 -1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.944 -6.756 -2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.437 -4.003 -3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.702 -3.720 -3.241 1.00 0.00 H new ATOM 619 N ASN A 42 13.739 -6.309 -0.356 1.00 0.00 N ATOM 620 CA ASN A 42 14.797 -5.440 0.178 1.00 0.00 C ATOM 621 C ASN A 42 14.888 -4.132 -0.605 1.00 0.00 C ATOM 622 O ASN A 42 15.832 -3.935 -1.369 1.00 0.00 O ATOM 623 CB ASN A 42 16.150 -6.157 0.100 1.00 0.00 C ATOM 624 CG ASN A 42 16.402 -6.644 -1.324 1.00 0.00 C ATOM 625 OD1 ASN A 42 15.465 -6.764 -2.113 1.00 0.00 O ATOM 626 ND2 ASN A 42 17.619 -6.934 -1.701 1.00 0.00 N ATOM 0 H ASN A 42 13.821 -6.513 -1.352 1.00 0.00 H new ATOM 0 HA ASN A 42 14.549 -5.214 1.215 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.947 -5.481 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.164 -7.001 0.789 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.794 -7.261 -2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 42 18.394 -6.834 -1.045 1.00 0.00 H new ATOM 633 N PRO A 43 13.946 -3.239 -0.435 1.00 0.00 N ATOM 634 CA PRO A 43 13.960 -1.931 -1.147 1.00 0.00 C ATOM 635 C PRO A 43 14.875 -0.924 -0.464 1.00 0.00 C ATOM 636 O PRO A 43 14.912 -0.841 0.765 1.00 0.00 O ATOM 637 CB PRO A 43 12.507 -1.478 -1.056 1.00 0.00 C ATOM 638 CG PRO A 43 12.035 -2.020 0.254 1.00 0.00 C ATOM 639 CD PRO A 43 12.768 -3.355 0.450 1.00 0.00 C ATOM 0 HA PRO A 43 14.334 -2.014 -2.168 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.426 -0.392 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.916 -1.868 -1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.260 -1.329 1.066 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.955 -2.165 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.061 -3.503 1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.140 -4.202 0.172 1.00 0.00 H new ATOM 647 N THR A 44 15.562 -0.115 -1.259 1.00 0.00 N ATOM 648 CA THR A 44 16.417 0.915 -0.702 1.00 0.00 C ATOM 649 C THR A 44 15.568 2.151 -0.478 1.00 0.00 C ATOM 650 O THR A 44 14.390 2.163 -0.824 1.00 0.00 O ATOM 651 CB THR A 44 17.583 1.231 -1.643 1.00 0.00 C ATOM 652 OG1 THR A 44 18.134 2.496 -1.302 1.00 0.00 O ATOM 653 CG2 THR A 44 17.084 1.259 -3.088 1.00 0.00 C ATOM 0 H THR A 44 15.543 -0.153 -2.278 1.00 0.00 H new ATOM 0 HA THR A 44 16.846 0.571 0.239 1.00 0.00 H new ATOM 0 HB THR A 44 18.350 0.462 -1.544 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.882 2.700 -1.902 1.00 0.00 H new ATOM 0 HG21 THR A 44 17.916 1.484 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 44 16.664 0.287 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.316 2.026 -3.193 1.00 0.00 H new ATOM 661 N GLU A 45 16.150 3.170 0.119 1.00 0.00 N ATOM 662 CA GLU A 45 15.401 4.387 0.404 1.00 0.00 C ATOM 663 C GLU A 45 14.797 4.991 -0.862 1.00 0.00 C ATOM 664 O GLU A 45 13.617 5.337 -0.882 1.00 0.00 O ATOM 665 CB GLU A 45 16.313 5.399 1.084 1.00 0.00 C ATOM 666 CG GLU A 45 16.675 4.890 2.476 1.00 0.00 C ATOM 667 CD GLU A 45 17.611 5.882 3.155 1.00 0.00 C ATOM 668 OE1 GLU A 45 17.220 7.028 3.307 1.00 0.00 O ATOM 669 OE2 GLU A 45 18.706 5.482 3.507 1.00 0.00 O ATOM 0 H GLU A 45 17.126 3.186 0.415 1.00 0.00 H new ATOM 0 HA GLU A 45 14.576 4.128 1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.216 5.549 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.815 6.366 1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.772 4.759 3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.154 3.913 2.404 1.00 0.00 H new ATOM 676 N ALA A 46 15.587 5.105 -1.925 1.00 0.00 N ATOM 677 CA ALA A 46 15.072 5.662 -3.173 1.00 0.00 C ATOM 678 C ALA A 46 13.856 4.875 -3.617 1.00 0.00 C ATOM 679 O ALA A 46 12.816 5.438 -3.967 1.00 0.00 O ATOM 680 CB ALA A 46 16.136 5.574 -4.267 1.00 0.00 C ATOM 0 H ALA A 46 16.568 4.825 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 46 14.804 6.705 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.741 5.992 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.019 6.136 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.408 4.531 -4.427 1.00 0.00 H new ATOM 686 N GLU A 47 14.024 3.565 -3.626 1.00 0.00 N ATOM 687 CA GLU A 47 12.980 2.661 -4.050 1.00 0.00 C ATOM 688 C GLU A 47 11.676 2.939 -3.297 1.00 0.00 C ATOM 689 O GLU A 47 10.606 3.006 -3.905 1.00 0.00 O ATOM 690 CB GLU A 47 13.458 1.227 -3.807 1.00 0.00 C ATOM 691 CG GLU A 47 12.442 0.251 -4.399 1.00 0.00 C ATOM 692 CD GLU A 47 12.485 0.289 -5.925 1.00 0.00 C ATOM 693 OE1 GLU A 47 13.353 0.957 -6.463 1.00 0.00 O ATOM 694 OE2 GLU A 47 11.643 -0.351 -6.535 1.00 0.00 O ATOM 0 H GLU A 47 14.887 3.103 -3.340 1.00 0.00 H new ATOM 0 HA GLU A 47 12.774 2.806 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.436 1.075 -4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.574 1.046 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.654 -0.759 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.441 0.505 -4.052 1.00 0.00 H new ATOM 701 N LEU A 48 11.767 3.082 -1.977 1.00 0.00 N ATOM 702 CA LEU A 48 10.580 3.338 -1.154 1.00 0.00 C ATOM 703 C LEU A 48 9.958 4.686 -1.467 1.00 0.00 C ATOM 704 O LEU A 48 8.745 4.802 -1.651 1.00 0.00 O ATOM 705 CB LEU A 48 10.977 3.346 0.315 1.00 0.00 C ATOM 706 CG LEU A 48 11.486 1.973 0.719 1.00 0.00 C ATOM 707 CD1 LEU A 48 12.034 2.053 2.149 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.350 0.929 0.630 1.00 0.00 C ATOM 0 H LEU A 48 12.641 3.026 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 48 9.858 2.551 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.749 4.095 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.121 3.622 0.931 1.00 0.00 H new ATOM 0 HG LEU A 48 12.280 1.661 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.403 1.073 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.849 2.776 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.240 2.367 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.731 -0.049 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.538 1.217 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.978 0.882 -0.394 1.00 0.00 H new ATOM 720 N GLN A 49 10.806 5.700 -1.539 1.00 0.00 N ATOM 721 CA GLN A 49 10.349 7.051 -1.841 1.00 0.00 C ATOM 722 C GLN A 49 9.686 7.071 -3.207 1.00 0.00 C ATOM 723 O GLN A 49 8.629 7.658 -3.398 1.00 0.00 O ATOM 724 CB GLN A 49 11.545 8.006 -1.853 1.00 0.00 C ATOM 725 CG GLN A 49 12.134 8.129 -0.447 1.00 0.00 C ATOM 726 CD GLN A 49 13.382 9.003 -0.497 1.00 0.00 C ATOM 727 OE1 GLN A 49 13.685 9.590 -1.536 1.00 0.00 O ATOM 728 NE2 GLN A 49 14.133 9.120 0.562 1.00 0.00 N ATOM 0 H GLN A 49 11.812 5.616 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 49 9.634 7.365 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.305 7.640 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.233 8.987 -2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.399 8.563 0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.383 7.142 -0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.881 8.633 1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.973 9.698 0.530 1.00 0.00 H new ATOM 737 N ASP A 50 10.330 6.416 -4.153 1.00 0.00 N ATOM 738 CA ASP A 50 9.835 6.336 -5.503 1.00 0.00 C ATOM 739 C ASP A 50 8.550 5.518 -5.551 1.00 0.00 C ATOM 740 O ASP A 50 7.640 5.809 -6.332 1.00 0.00 O ATOM 741 CB ASP A 50 10.917 5.700 -6.372 1.00 0.00 C ATOM 742 CG ASP A 50 12.059 6.696 -6.585 1.00 0.00 C ATOM 743 OD1 ASP A 50 11.855 7.869 -6.310 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.119 6.273 -7.013 1.00 0.00 O ATOM 0 H ASP A 50 11.212 5.926 -4.002 1.00 0.00 H new ATOM 0 HA ASP A 50 9.603 7.333 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.295 4.795 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.497 5.402 -7.333 1.00 0.00 H new ATOM 749 N MET A 51 8.483 4.497 -4.705 1.00 0.00 N ATOM 750 CA MET A 51 7.314 3.639 -4.655 1.00 0.00 C ATOM 751 C MET A 51 6.108 4.413 -4.144 1.00 0.00 C ATOM 752 O MET A 51 5.044 4.423 -4.767 1.00 0.00 O ATOM 753 CB MET A 51 7.589 2.459 -3.711 1.00 0.00 C ATOM 754 CG MET A 51 6.434 1.453 -3.775 1.00 0.00 C ATOM 755 SD MET A 51 6.404 0.668 -5.407 1.00 0.00 S ATOM 756 CE MET A 51 7.531 -0.701 -5.038 1.00 0.00 C ATOM 0 H MET A 51 9.223 4.247 -4.049 1.00 0.00 H new ATOM 0 HA MET A 51 7.103 3.275 -5.660 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.523 1.971 -3.989 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.710 2.821 -2.690 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.553 0.697 -2.999 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.487 1.958 -3.586 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.654 -1.321 -5.926 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.500 -0.303 -4.736 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.118 -1.304 -4.229 1.00 0.00 H new ATOM 766 N ILE A 52 6.316 5.075 -3.012 1.00 0.00 N ATOM 767 CA ILE A 52 5.282 5.872 -2.368 1.00 0.00 C ATOM 768 C ILE A 52 4.990 7.149 -3.160 1.00 0.00 C ATOM 769 O ILE A 52 3.840 7.560 -3.293 1.00 0.00 O ATOM 770 CB ILE A 52 5.738 6.200 -0.925 1.00 0.00 C ATOM 771 CG1 ILE A 52 4.520 6.399 -0.028 1.00 0.00 C ATOM 772 CG2 ILE A 52 6.587 7.475 -0.881 1.00 0.00 C ATOM 773 CD1 ILE A 52 4.965 6.464 1.430 1.00 0.00 C ATOM 0 H ILE A 52 7.207 5.074 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 52 4.353 5.303 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 52 6.340 5.362 -0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.000 7.317 -0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.815 5.580 -0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.890 7.675 0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.474 7.343 -1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.002 8.315 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.094 6.606 2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.466 5.534 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.654 7.298 1.563 1.00 0.00 H new ATOM 785 N ASN A 53 6.054 7.766 -3.661 1.00 0.00 N ATOM 786 CA ASN A 53 5.947 9.011 -4.419 1.00 0.00 C ATOM 787 C ASN A 53 5.086 8.878 -5.685 1.00 0.00 C ATOM 788 O ASN A 53 4.333 9.797 -6.013 1.00 0.00 O ATOM 789 CB ASN A 53 7.351 9.501 -4.790 1.00 0.00 C ATOM 790 CG ASN A 53 7.264 10.728 -5.688 1.00 0.00 C ATOM 791 OD1 ASN A 53 7.563 10.648 -6.879 1.00 0.00 O ATOM 792 ND2 ASN A 53 6.872 11.865 -5.185 1.00 0.00 N ATOM 0 H ASN A 53 7.009 7.422 -3.556 1.00 0.00 H new ATOM 0 HA ASN A 53 5.445 9.736 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.910 9.743 -3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.897 8.707 -5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.812 12.692 -5.779 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.625 11.928 -4.197 1.00 0.00 H new ATOM 799 N GLU A 54 5.197 7.764 -6.404 1.00 0.00 N ATOM 800 CA GLU A 54 4.418 7.574 -7.624 1.00 0.00 C ATOM 801 C GLU A 54 2.982 7.202 -7.273 1.00 0.00 C ATOM 802 O GLU A 54 2.086 7.217 -8.120 1.00 0.00 O ATOM 803 CB GLU A 54 5.091 6.461 -8.445 1.00 0.00 C ATOM 804 CG GLU A 54 4.100 5.800 -9.405 1.00 0.00 C ATOM 805 CD GLU A 54 3.470 6.849 -10.315 1.00 0.00 C ATOM 806 OE1 GLU A 54 4.073 7.895 -10.490 1.00 0.00 O ATOM 807 OE2 GLU A 54 2.390 6.590 -10.823 1.00 0.00 O ATOM 0 H GLU A 54 5.813 6.986 -6.166 1.00 0.00 H new ATOM 0 HA GLU A 54 4.386 8.494 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.925 6.877 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.505 5.710 -7.772 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.611 5.047 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.323 5.284 -8.840 1.00 0.00 H new ATOM 814 N VAL A 55 2.800 6.852 -6.016 1.00 0.00 N ATOM 815 CA VAL A 55 1.503 6.447 -5.492 1.00 0.00 C ATOM 816 C VAL A 55 0.908 7.578 -4.685 1.00 0.00 C ATOM 817 O VAL A 55 -0.297 7.629 -4.474 1.00 0.00 O ATOM 818 CB VAL A 55 1.713 5.244 -4.579 1.00 0.00 C ATOM 819 CG1 VAL A 55 0.460 4.988 -3.728 1.00 0.00 C ATOM 820 CG2 VAL A 55 2.035 4.011 -5.426 1.00 0.00 C ATOM 0 H VAL A 55 3.548 6.839 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 55 0.830 6.195 -6.312 1.00 0.00 H new ATOM 0 HB VAL A 55 2.547 5.450 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.628 4.126 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.251 5.865 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.390 4.792 -4.382 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.185 3.151 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.207 3.811 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.942 4.192 -6.002 1.00 0.00 H new ATOM 830 N ASP A 56 1.770 8.458 -4.211 1.00 0.00 N ATOM 831 CA ASP A 56 1.337 9.572 -3.396 1.00 0.00 C ATOM 832 C ASP A 56 0.698 10.655 -4.271 1.00 0.00 C ATOM 833 O ASP A 56 1.064 11.823 -4.203 1.00 0.00 O ATOM 834 CB ASP A 56 2.568 10.087 -2.629 1.00 0.00 C ATOM 835 CG ASP A 56 2.239 11.277 -1.729 1.00 0.00 C ATOM 836 OD1 ASP A 56 1.072 11.501 -1.466 1.00 0.00 O ATOM 837 OD2 ASP A 56 3.174 11.934 -1.295 1.00 0.00 O ATOM 0 H ASP A 56 2.776 8.421 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 56 0.572 9.267 -2.682 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.979 9.280 -2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.341 10.376 -3.341 1.00 0.00 H new ATOM 842 N ALA A 57 -0.283 10.247 -5.087 1.00 0.00 N ATOM 843 CA ALA A 57 -0.986 11.182 -5.965 1.00 0.00 C ATOM 844 C ALA A 57 -1.280 12.489 -5.234 1.00 0.00 C ATOM 845 O ALA A 57 -1.407 13.547 -5.854 1.00 0.00 O ATOM 846 CB ALA A 57 -2.310 10.567 -6.423 1.00 0.00 C ATOM 0 H ALA A 57 -0.604 9.281 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.349 11.386 -6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.830 11.267 -7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.113 9.642 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.932 10.353 -5.554 1.00 0.00 H new ATOM 852 N ASP A 58 -1.404 12.389 -3.914 1.00 0.00 N ATOM 853 CA ASP A 58 -1.700 13.546 -3.070 1.00 0.00 C ATOM 854 C ASP A 58 -0.446 14.365 -2.784 1.00 0.00 C ATOM 855 O ASP A 58 -0.505 15.592 -2.683 1.00 0.00 O ATOM 856 CB ASP A 58 -2.310 13.074 -1.748 1.00 0.00 C ATOM 857 CG ASP A 58 -3.518 12.185 -2.022 1.00 0.00 C ATOM 858 OD1 ASP A 58 -4.110 12.331 -3.080 1.00 0.00 O ATOM 859 OD2 ASP A 58 -3.833 11.369 -1.170 1.00 0.00 O ATOM 0 H ASP A 58 -1.304 11.513 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.407 14.181 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.567 12.525 -1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.609 13.933 -1.148 1.00 0.00 H new ATOM 864 N GLY A 59 0.691 13.686 -2.653 1.00 0.00 N ATOM 865 CA GLY A 59 1.950 14.372 -2.376 1.00 0.00 C ATOM 866 C GLY A 59 2.160 14.568 -0.876 1.00 0.00 C ATOM 867 O GLY A 59 3.069 15.285 -0.460 1.00 0.00 O ATOM 0 H GLY A 59 0.767 12.672 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.778 13.796 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.956 15.341 -2.875 1.00 0.00 H new ATOM 871 N ASN A 60 1.315 13.925 -0.074 1.00 0.00 N ATOM 872 CA ASN A 60 1.413 14.031 1.379 1.00 0.00 C ATOM 873 C ASN A 60 2.660 13.322 1.904 1.00 0.00 C ATOM 874 O ASN A 60 3.195 13.694 2.951 1.00 0.00 O ATOM 875 CB ASN A 60 0.169 13.427 2.029 1.00 0.00 C ATOM 876 CG ASN A 60 0.063 11.946 1.681 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.878 11.425 0.918 1.00 0.00 O ATOM 878 ND2 ASN A 60 -0.902 11.233 2.196 1.00 0.00 N ATOM 0 H ASN A 60 0.557 13.327 -0.404 1.00 0.00 H new ATOM 0 HA ASN A 60 1.487 15.088 1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.217 13.552 3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.722 13.954 1.687 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.982 10.242 1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.575 11.667 2.827 1.00 0.00 H new ATOM 885 N GLY A 61 3.133 12.306 1.181 1.00 0.00 N ATOM 886 CA GLY A 61 4.326 11.573 1.602 1.00 0.00 C ATOM 887 C GLY A 61 3.963 10.304 2.362 1.00 0.00 C ATOM 888 O GLY A 61 4.829 9.480 2.656 1.00 0.00 O ATOM 0 H GLY A 61 2.714 11.975 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.924 11.316 0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.943 12.212 2.233 1.00 0.00 H new ATOM 892 N THR A 62 2.678 10.131 2.656 1.00 0.00 N ATOM 893 CA THR A 62 2.214 8.934 3.356 1.00 0.00 C ATOM 894 C THR A 62 1.054 8.333 2.587 1.00 0.00 C ATOM 895 O THR A 62 0.533 8.948 1.651 1.00 0.00 O ATOM 896 CB THR A 62 1.827 9.258 4.802 1.00 0.00 C ATOM 897 OG1 THR A 62 0.739 10.173 4.831 1.00 0.00 O ATOM 898 CG2 THR A 62 3.041 9.869 5.500 1.00 0.00 C ATOM 0 H THR A 62 1.943 10.798 2.423 1.00 0.00 H new ATOM 0 HA THR A 62 3.022 8.203 3.404 1.00 0.00 H new ATOM 0 HB THR A 62 1.518 8.346 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.502 10.370 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.785 10.107 6.533 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.866 9.157 5.485 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.339 10.780 4.981 1.00 0.00 H new ATOM 906 N ILE A 63 0.685 7.106 2.932 1.00 0.00 N ATOM 907 CA ILE A 63 -0.381 6.413 2.208 1.00 0.00 C ATOM 908 C ILE A 63 -1.680 6.396 2.997 1.00 0.00 C ATOM 909 O ILE A 63 -1.735 5.869 4.109 1.00 0.00 O ATOM 910 CB ILE A 63 0.053 4.973 1.941 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.522 4.968 1.510 1.00 0.00 C ATOM 912 CG2 ILE A 63 -0.810 4.364 0.837 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.976 3.534 1.250 1.00 0.00 C ATOM 0 H ILE A 63 1.099 6.574 3.697 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.557 6.947 1.274 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.068 4.381 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.649 5.569 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.140 5.421 2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.494 3.337 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.855 4.372 1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.697 4.948 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.022 3.533 0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.865 2.946 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.366 3.097 0.460 1.00 0.00 H new ATOM 925 N ASP A 64 -2.737 6.916 2.379 1.00 0.00 N ATOM 926 CA ASP A 64 -4.051 6.902 2.991 1.00 0.00 C ATOM 927 C ASP A 64 -4.675 5.583 2.566 1.00 0.00 C ATOM 928 O ASP A 64 -4.007 4.803 1.896 1.00 0.00 O ATOM 929 CB ASP A 64 -4.884 8.089 2.485 1.00 0.00 C ATOM 930 CG ASP A 64 -4.360 9.400 3.070 1.00 0.00 C ATOM 931 OD1 ASP A 64 -3.638 9.344 4.050 1.00 0.00 O ATOM 932 OD2 ASP A 64 -4.695 10.444 2.530 1.00 0.00 O ATOM 0 H ASP A 64 -2.704 7.350 1.457 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.002 6.992 4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.846 8.129 1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.929 7.952 2.763 1.00 0.00 H new ATOM 937 N PHE A 65 -5.923 5.299 2.898 1.00 0.00 N ATOM 938 CA PHE A 65 -6.474 4.032 2.453 1.00 0.00 C ATOM 939 C PHE A 65 -6.657 3.986 0.912 1.00 0.00 C ATOM 940 O PHE A 65 -6.149 3.071 0.268 1.00 0.00 O ATOM 941 CB PHE A 65 -7.791 3.705 3.152 1.00 0.00 C ATOM 942 CG PHE A 65 -8.356 2.500 2.453 1.00 0.00 C ATOM 943 CD1 PHE A 65 -7.632 1.300 2.451 1.00 0.00 C ATOM 944 CD2 PHE A 65 -9.552 2.598 1.746 1.00 0.00 C ATOM 945 CE1 PHE A 65 -8.115 0.200 1.748 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.033 1.498 1.035 1.00 0.00 C ATOM 947 CZ PHE A 65 -9.316 0.296 1.035 1.00 0.00 C ATOM 0 H PHE A 65 -6.546 5.893 3.445 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.746 3.270 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.628 3.499 4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.481 4.547 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.701 1.229 2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.107 3.525 1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.563 -0.728 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.959 1.574 0.484 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.689 -0.556 0.486 1.00 0.00 H new ATOM 957 N PRO A 66 -7.371 4.900 0.298 1.00 0.00 N ATOM 958 CA PRO A 66 -7.585 4.862 -1.191 1.00 0.00 C ATOM 959 C PRO A 66 -6.261 4.840 -1.962 1.00 0.00 C ATOM 960 O PRO A 66 -6.153 4.206 -3.015 1.00 0.00 O ATOM 961 CB PRO A 66 -8.382 6.148 -1.471 1.00 0.00 C ATOM 962 CG PRO A 66 -8.089 7.013 -0.296 1.00 0.00 C ATOM 963 CD PRO A 66 -8.052 6.063 0.889 1.00 0.00 C ATOM 0 HA PRO A 66 -8.105 3.960 -1.515 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.067 6.619 -2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.449 5.945 -1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.138 7.533 -0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.856 7.777 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.501 6.478 1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.050 5.816 1.251 1.00 0.00 H new ATOM 971 N GLU A 67 -5.251 5.513 -1.418 1.00 0.00 N ATOM 972 CA GLU A 67 -3.942 5.533 -2.053 1.00 0.00 C ATOM 973 C GLU A 67 -3.475 4.105 -2.200 1.00 0.00 C ATOM 974 O GLU A 67 -3.185 3.619 -3.293 1.00 0.00 O ATOM 975 CB GLU A 67 -2.952 6.296 -1.166 1.00 0.00 C ATOM 976 CG GLU A 67 -3.378 7.763 -1.066 1.00 0.00 C ATOM 977 CD GLU A 67 -3.013 8.499 -2.350 1.00 0.00 C ATOM 978 OE1 GLU A 67 -2.138 8.026 -3.054 1.00 0.00 O ATOM 979 OE2 GLU A 67 -3.606 9.530 -2.607 1.00 0.00 O ATOM 0 H GLU A 67 -5.314 6.045 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.001 6.022 -3.025 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.918 5.848 -0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.947 6.226 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.452 7.828 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.889 8.235 -0.214 1.00 0.00 H new ATOM 986 N PHE A 68 -3.443 3.434 -1.071 1.00 0.00 N ATOM 987 CA PHE A 68 -3.046 2.046 -1.033 1.00 0.00 C ATOM 988 C PHE A 68 -4.005 1.207 -1.901 1.00 0.00 C ATOM 989 O PHE A 68 -3.576 0.258 -2.553 1.00 0.00 O ATOM 990 CB PHE A 68 -2.993 1.560 0.433 1.00 0.00 C ATOM 991 CG PHE A 68 -3.279 0.080 0.523 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.254 -0.832 0.275 1.00 0.00 C ATOM 993 CD2 PHE A 68 -4.569 -0.378 0.819 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.511 -2.199 0.324 1.00 0.00 C ATOM 995 CE2 PHE A 68 -4.825 -1.753 0.861 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.795 -2.661 0.614 1.00 0.00 C ATOM 0 H PHE A 68 -3.688 3.830 -0.163 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.046 1.927 -1.450 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.010 1.770 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.720 2.111 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.260 -0.478 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.363 0.327 1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.714 -2.904 0.137 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.819 -2.111 1.084 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.992 -3.722 0.647 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.299 1.550 -1.912 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.260 0.792 -2.715 1.00 0.00 C ATOM 1008 C LEU A 69 -5.883 0.863 -4.197 1.00 0.00 C ATOM 1009 O LEU A 69 -5.813 -0.157 -4.883 1.00 0.00 O ATOM 1010 CB LEU A 69 -7.682 1.370 -2.507 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.754 0.279 -2.689 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -10.152 0.910 -2.698 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -8.538 -0.448 -4.016 1.00 0.00 C ATOM 0 H LEU A 69 -5.696 2.329 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.243 -0.251 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.761 1.800 -1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.857 2.179 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.673 -0.426 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.902 0.130 -2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.324 1.426 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.224 1.623 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.300 -1.218 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.609 0.265 -4.837 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.551 -0.910 -4.021 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.620 2.072 -4.678 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.250 2.274 -6.074 1.00 0.00 C ATOM 1027 C ASN A 70 -4.051 1.396 -6.401 1.00 0.00 C ATOM 1028 O ASN A 70 -4.030 0.633 -7.373 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.839 3.745 -6.249 1.00 0.00 C ATOM 1030 CG ASN A 70 -6.056 4.659 -6.339 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -6.213 5.577 -5.524 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -6.915 4.471 -7.296 1.00 0.00 N ATOM 0 H ASN A 70 -5.656 2.927 -4.123 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.085 2.023 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.214 4.051 -5.410 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.236 3.850 -7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.727 5.083 -7.380 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.777 3.712 -7.963 1.00 0.00 H new ATOM 1039 N LEU A 71 -3.080 1.524 -5.528 1.00 0.00 N ATOM 1040 CA LEU A 71 -1.821 0.806 -5.590 1.00 0.00 C ATOM 1041 C LEU A 71 -2.065 -0.699 -5.699 1.00 0.00 C ATOM 1042 O LEU A 71 -1.480 -1.382 -6.548 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.100 1.195 -4.288 1.00 0.00 C ATOM 1044 CG LEU A 71 -0.024 0.212 -3.845 1.00 0.00 C ATOM 1045 CD1 LEU A 71 1.093 0.160 -4.878 1.00 0.00 C ATOM 1046 CD2 LEU A 71 0.537 0.722 -2.514 1.00 0.00 C ATOM 0 H LEU A 71 -3.143 2.151 -4.726 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.223 1.059 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.646 2.177 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.839 1.289 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.441 -0.789 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.857 -0.545 -4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.687 -0.162 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.536 1.150 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.313 0.043 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.961 1.716 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.264 0.771 -1.776 1.00 0.00 H new ATOM 1058 N MET A 72 -2.969 -1.179 -4.856 1.00 0.00 N ATOM 1059 CA MET A 72 -3.355 -2.585 -4.836 1.00 0.00 C ATOM 1060 C MET A 72 -4.104 -2.962 -6.122 1.00 0.00 C ATOM 1061 O MET A 72 -3.823 -3.990 -6.740 1.00 0.00 O ATOM 1062 CB MET A 72 -4.252 -2.818 -3.603 1.00 0.00 C ATOM 1063 CG MET A 72 -4.095 -4.236 -3.059 1.00 0.00 C ATOM 1064 SD MET A 72 -2.461 -4.424 -2.312 1.00 0.00 S ATOM 1065 CE MET A 72 -2.828 -5.934 -1.387 1.00 0.00 C ATOM 0 H MET A 72 -3.456 -0.606 -4.167 1.00 0.00 H new ATOM 0 HA MET A 72 -2.466 -3.212 -4.779 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.998 -2.098 -2.825 1.00 0.00 H new ATOM 0 HB3 MET A 72 -5.294 -2.643 -3.871 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.869 -4.440 -2.319 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.223 -4.961 -3.863 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.942 -6.246 -0.834 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.643 -5.744 -0.689 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.120 -6.723 -2.080 1.00 0.00 H new ATOM 1075 N ALA A 73 -5.064 -2.126 -6.508 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.854 -2.386 -7.709 1.00 0.00 C ATOM 1077 C ALA A 73 -4.957 -2.371 -8.933 1.00 0.00 C ATOM 1078 O ALA A 73 -5.092 -3.203 -9.832 1.00 0.00 O ATOM 1079 CB ALA A 73 -6.949 -1.329 -7.871 1.00 0.00 C ATOM 0 H ALA A 73 -5.313 -1.270 -6.012 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.319 -3.367 -7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.527 -1.539 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.608 -1.352 -7.003 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.493 -0.343 -7.955 1.00 0.00 H new ATOM 1085 N ARG A 74 -4.020 -1.432 -8.944 1.00 0.00 N ATOM 1086 CA ARG A 74 -3.078 -1.318 -10.040 1.00 0.00 C ATOM 1087 C ARG A 74 -2.239 -2.583 -10.123 1.00 0.00 C ATOM 1088 O ARG A 74 -2.022 -3.134 -11.201 1.00 0.00 O ATOM 1089 CB ARG A 74 -2.170 -0.113 -9.790 1.00 0.00 C ATOM 1090 CG ARG A 74 -2.959 1.195 -9.990 1.00 0.00 C ATOM 1091 CD ARG A 74 -2.940 1.600 -11.464 1.00 0.00 C ATOM 1092 NE ARG A 74 -3.631 2.870 -11.638 1.00 0.00 N ATOM 1093 CZ ARG A 74 -3.028 4.026 -11.381 1.00 0.00 C ATOM 1094 NH1 ARG A 74 -1.791 4.041 -10.966 1.00 0.00 N ATOM 1095 NH2 ARG A 74 -3.676 5.147 -11.544 1.00 0.00 N ATOM 0 H ARG A 74 -3.895 -0.740 -8.205 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.616 -1.185 -10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.769 -0.154 -8.777 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.319 -0.141 -10.471 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.988 1.063 -9.654 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.524 1.988 -9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.911 1.685 -11.814 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.419 0.830 -12.068 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.598 2.872 -11.964 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.285 3.164 -10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.330 4.929 -10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.643 5.135 -11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.215 6.036 -11.347 1.00 0.00 H new ATOM 1109 N LYS A 75 -1.786 -3.041 -8.966 1.00 0.00 N ATOM 1110 CA LYS A 75 -0.985 -4.254 -8.883 1.00 0.00 C ATOM 1111 C LYS A 75 -1.810 -5.464 -9.301 1.00 0.00 C ATOM 1112 O LYS A 75 -1.290 -6.424 -9.867 1.00 0.00 O ATOM 1113 CB LYS A 75 -0.492 -4.425 -7.448 1.00 0.00 C ATOM 1114 CG LYS A 75 0.564 -3.348 -7.135 1.00 0.00 C ATOM 1115 CD LYS A 75 1.960 -3.831 -7.574 1.00 0.00 C ATOM 1116 CE LYS A 75 3.013 -2.764 -7.253 1.00 0.00 C ATOM 1117 NZ LYS A 75 3.095 -2.567 -5.779 1.00 0.00 N ATOM 0 H LYS A 75 -1.960 -2.589 -8.068 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.133 -4.173 -9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.328 -4.343 -6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.064 -5.419 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.313 -2.421 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.566 -3.129 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.208 -4.762 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.960 -4.043 -8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.984 -3.069 -7.643 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.753 -1.825 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.760 -1.796 -5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.154 -2.324 -5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.428 -3.444 -5.330 1.00 0.00 H new ATOM 1131 N MET A 76 -3.099 -5.404 -8.994 1.00 0.00 N ATOM 1132 CA MET A 76 -4.023 -6.487 -9.313 1.00 0.00 C ATOM 1133 C MET A 76 -4.122 -6.708 -10.828 1.00 0.00 C ATOM 1134 O MET A 76 -4.923 -7.517 -11.299 1.00 0.00 O ATOM 1135 CB MET A 76 -5.399 -6.137 -8.745 1.00 0.00 C ATOM 1136 CG MET A 76 -6.248 -7.403 -8.571 1.00 0.00 C ATOM 1137 SD MET A 76 -8.003 -6.963 -8.662 1.00 0.00 S ATOM 1138 CE MET A 76 -8.171 -6.284 -6.993 1.00 0.00 C ATOM 0 H MET A 76 -3.532 -4.611 -8.521 1.00 0.00 H new ATOM 0 HA MET A 76 -3.653 -7.411 -8.869 1.00 0.00 H new ATOM 0 HB2 MET A 76 -5.285 -5.634 -7.785 1.00 0.00 H new ATOM 0 HB3 MET A 76 -5.907 -5.440 -9.412 1.00 0.00 H new ATOM 0 HG2 MET A 76 -6.002 -8.129 -9.346 1.00 0.00 H new ATOM 0 HG3 MET A 76 -6.028 -7.873 -7.613 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.196 -5.948 -6.838 1.00 0.00 H new ATOM 0 HE2 MET A 76 -7.927 -7.054 -6.261 1.00 0.00 H new ATOM 0 HE3 MET A 76 -7.491 -5.441 -6.873 1.00 0.00 H new ATOM 1148 N LYS A 77 -3.293 -5.992 -11.578 1.00 0.00 N ATOM 1149 CA LYS A 77 -3.275 -6.108 -13.033 1.00 0.00 C ATOM 1150 C LYS A 77 -2.967 -7.534 -13.470 1.00 0.00 C ATOM 1151 O LYS A 77 -3.529 -8.030 -14.451 1.00 0.00 O ATOM 1152 CB LYS A 77 -2.218 -5.159 -13.599 1.00 0.00 C ATOM 1153 CG LYS A 77 -0.824 -5.556 -13.108 1.00 0.00 C ATOM 1154 CD LYS A 77 0.171 -4.500 -13.591 1.00 0.00 C ATOM 1155 CE LYS A 77 1.582 -4.838 -13.115 1.00 0.00 C ATOM 1156 NZ LYS A 77 2.442 -3.627 -13.245 1.00 0.00 N ATOM 0 H LYS A 77 -2.622 -5.322 -11.202 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.262 -5.843 -13.413 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.246 -5.181 -14.688 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.439 -4.136 -13.295 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.809 -5.623 -12.020 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.551 -6.539 -13.492 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.152 -4.444 -14.679 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.120 -3.519 -13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.559 -5.174 -12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.993 -5.656 -13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.405 -3.849 -12.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.471 -3.327 -14.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.051 -2.859 -12.663 1.00 0.00 H new ATOM 1170 N ASP A 78 -2.054 -8.187 -12.754 1.00 0.00 N ATOM 1171 CA ASP A 78 -1.654 -9.556 -13.078 1.00 0.00 C ATOM 1172 C ASP A 78 -2.081 -10.518 -11.975 1.00 0.00 C ATOM 1173 O ASP A 78 -1.619 -11.660 -11.921 1.00 0.00 O ATOM 1174 CB ASP A 78 -0.137 -9.615 -13.248 1.00 0.00 C ATOM 1175 CG ASP A 78 0.548 -9.082 -11.996 1.00 0.00 C ATOM 1176 OD1 ASP A 78 -0.151 -8.590 -11.125 1.00 0.00 O ATOM 1177 OD2 ASP A 78 1.762 -9.166 -11.931 1.00 0.00 O ATOM 0 H ASP A 78 -1.576 -7.790 -11.945 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.143 -9.852 -14.006 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.177 -10.642 -13.435 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.163 -9.027 -14.115 1.00 0.00 H new ATOM 1182 N THR A 79 -2.957 -10.044 -11.096 1.00 0.00 N ATOM 1183 CA THR A 79 -3.440 -10.862 -9.991 1.00 0.00 C ATOM 1184 C THR A 79 -2.296 -11.221 -9.048 1.00 0.00 C ATOM 1185 O THR A 79 -2.562 -11.428 -7.876 1.00 0.00 O ATOM 1186 CB THR A 79 -4.085 -12.139 -10.530 1.00 0.00 C ATOM 1187 OG1 THR A 79 -4.888 -11.820 -11.658 1.00 0.00 O ATOM 1188 CG2 THR A 79 -4.952 -12.780 -9.447 1.00 0.00 C ATOM 1189 OXT THR A 79 -1.171 -11.289 -9.515 1.00 0.00 O ATOM 0 H THR A 79 -3.346 -9.101 -11.127 1.00 0.00 H new ATOM 0 HA THR A 79 -4.183 -10.289 -9.436 1.00 0.00 H new ATOM 0 HB THR A 79 -3.305 -12.842 -10.823 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.301 -12.637 -12.007 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.409 -13.689 -9.837 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.333 -13.026 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.733 -12.082 -9.146 1.00 0.00 H new TER 1197 THR A 79 HETATM 1198 CA CA A 179 0.591 3.915 11.010 1.00 0.00 CA HETATM 1199 CA CA A 192 -0.658 10.307 -0.531 1.00 0.00 CA