USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 680 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 71 ASN : amide:sc= -1.77 K(o=-1.8,f=0.61) USER MOD Set 1.2: A 93 ASN : amide:sc= -0.0625 X(o=-1.8,f=-1.6) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -0.342 X(o=-0.56,f=-0.38) USER MOD Set 2.2: A 90 MET CE :methyl -128:sc= -0.222 (180deg=-0.878) USER MOD Set 3.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 62 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Single : A 1 ILE N :NH3+ -131:sc= -1.95! (180deg=-2.93!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.721 K(o=-0.72,f=-4.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -159:sc=-0.00311 (180deg=-0.555) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 18:sc= -0.394! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 43 ASN : amide:sc= -0.053 X(o=-0.053,f=-0.26) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= -0.0327 (180deg=-0.299) USER MOD Single : A 52 GLN : amide:sc= -2.17 K(o=-2.2,f=-7.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-2.3!) USER MOD Single : A 81 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.51) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 120:sc= -0.269 USER MOD Single : A 85 THR OG1 : rot -120:sc= 0.836 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -164:sc=-0.00455 (180deg=-0.0748) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -18.170 16.358 4.103 1.00 0.00 N ATOM 2 CA ILE A 1 -16.730 16.348 3.909 1.00 0.00 C ATOM 3 C ILE A 1 -16.341 17.473 2.949 1.00 0.00 C ATOM 4 O ILE A 1 -16.942 17.623 1.886 1.00 0.00 O ATOM 5 CB ILE A 1 -16.260 14.964 3.458 1.00 0.00 C ATOM 6 CG1 ILE A 1 -16.915 13.862 4.293 1.00 0.00 C ATOM 7 CG2 ILE A 1 -14.733 14.869 3.481 1.00 0.00 C ATOM 8 CD1 ILE A 1 -16.888 14.213 5.782 1.00 0.00 C ATOM 0 H1 ILE A 1 -18.384 16.319 5.120 1.00 0.00 H new ATOM 0 H2 ILE A 1 -18.569 17.229 3.699 1.00 0.00 H new ATOM 0 H3 ILE A 1 -18.590 15.533 3.629 1.00 0.00 H new ATOM 0 HA ILE A 1 -16.217 16.542 4.851 1.00 0.00 H new ATOM 0 HB ILE A 1 -16.577 14.816 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -17.946 13.719 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -16.395 12.918 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -14.425 13.875 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -14.312 15.617 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -14.373 15.047 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -17.360 13.413 6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -15.855 14.332 6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -17.430 15.144 5.946 1.00 0.00 H new ATOM 20 N SER A 2 -15.338 18.236 3.358 1.00 0.00 N ATOM 21 CA SER A 2 -14.861 19.344 2.547 1.00 0.00 C ATOM 22 C SER A 2 -13.360 19.199 2.293 1.00 0.00 C ATOM 23 O SER A 2 -12.695 18.382 2.929 1.00 0.00 O ATOM 24 CB SER A 2 -15.159 20.686 3.218 1.00 0.00 C ATOM 25 OG SER A 2 -14.597 20.765 4.525 1.00 0.00 O ATOM 0 H SER A 2 -14.842 18.109 4.240 1.00 0.00 H new ATOM 0 HA SER A 2 -15.388 19.321 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.763 21.495 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.238 20.830 3.278 1.00 0.00 H new ATOM 0 HG SER A 2 -14.808 21.637 4.919 1.00 0.00 H new ATOM 31 N GLU A 3 -12.868 20.004 1.363 1.00 0.00 N ATOM 32 CA GLU A 3 -11.457 19.975 1.017 1.00 0.00 C ATOM 33 C GLU A 3 -10.630 20.662 2.106 1.00 0.00 C ATOM 34 O GLU A 3 -10.389 21.867 2.040 1.00 0.00 O ATOM 35 CB GLU A 3 -11.214 20.623 -0.347 1.00 0.00 C ATOM 36 CG GLU A 3 -10.683 19.600 -1.353 1.00 0.00 C ATOM 37 CD GLU A 3 -9.181 19.785 -1.584 1.00 0.00 C ATOM 38 OE1 GLU A 3 -8.416 19.410 -0.669 1.00 0.00 O ATOM 39 OE2 GLU A 3 -8.833 20.299 -2.669 1.00 0.00 O ATOM 0 H GLU A 3 -13.422 20.681 0.838 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.140 18.934 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.143 21.056 -0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.501 21.441 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.877 18.591 -0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.215 19.704 -2.298 1.00 0.00 H new ATOM 46 N PHE A 4 -10.218 19.866 3.082 1.00 0.00 N ATOM 47 CA PHE A 4 -9.423 20.383 4.183 1.00 0.00 C ATOM 48 C PHE A 4 -8.819 19.242 5.005 1.00 0.00 C ATOM 49 O PHE A 4 -9.133 18.075 4.779 1.00 0.00 O ATOM 50 CB PHE A 4 -10.366 21.194 5.073 1.00 0.00 C ATOM 51 CG PHE A 4 -10.444 22.678 4.708 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.342 23.466 4.822 1.00 0.00 C ATOM 53 CD2 PHE A 4 -11.617 23.209 4.267 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.415 24.843 4.483 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.689 24.585 3.928 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.587 25.373 4.042 1.00 0.00 C ATOM 0 H PHE A 4 -10.420 18.867 3.133 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.604 20.991 3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -11.365 20.763 5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.040 21.102 6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.411 23.045 5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -12.493 22.583 4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.540 25.469 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.620 25.007 3.579 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.642 26.420 3.782 1.00 0.00 H new ATOM 66 N ALA A 5 -7.963 19.621 5.943 1.00 0.00 N ATOM 67 CA ALA A 5 -7.313 18.644 6.801 1.00 0.00 C ATOM 68 C ALA A 5 -6.359 17.791 5.962 1.00 0.00 C ATOM 69 O ALA A 5 -6.431 17.797 4.735 1.00 0.00 O ATOM 70 CB ALA A 5 -8.374 17.803 7.513 1.00 0.00 C ATOM 0 H ALA A 5 -7.705 20.590 6.128 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.722 19.141 7.570 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.886 17.071 8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.007 18.452 8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.985 17.286 6.773 1.00 0.00 H new ATOM 76 N PRO A 6 -5.463 17.059 6.678 1.00 0.00 N ATOM 77 CA PRO A 6 -4.496 16.203 6.013 1.00 0.00 C ATOM 78 C PRO A 6 -5.162 14.933 5.481 1.00 0.00 C ATOM 79 O PRO A 6 -6.186 14.498 6.006 1.00 0.00 O ATOM 80 CB PRO A 6 -3.433 15.921 7.063 1.00 0.00 C ATOM 81 CG PRO A 6 -4.075 16.243 8.403 1.00 0.00 C ATOM 82 CD PRO A 6 -5.349 17.027 8.133 1.00 0.00 C ATOM 0 HA PRO A 6 -4.054 16.672 5.134 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.112 14.880 7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.547 16.534 6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -4.299 15.327 8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -3.393 16.825 9.023 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.214 16.545 8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.290 18.033 8.548 1.00 0.00 H new ATOM 90 N VAL A 7 -4.554 14.372 4.446 1.00 0.00 N ATOM 91 CA VAL A 7 -5.075 13.160 3.838 1.00 0.00 C ATOM 92 C VAL A 7 -4.211 11.970 4.260 1.00 0.00 C ATOM 93 O VAL A 7 -3.047 12.140 4.619 1.00 0.00 O ATOM 94 CB VAL A 7 -5.157 13.331 2.319 1.00 0.00 C ATOM 95 CG1 VAL A 7 -5.594 12.029 1.645 1.00 0.00 C ATOM 96 CG2 VAL A 7 -6.092 14.483 1.947 1.00 0.00 C ATOM 0 H VAL A 7 -3.705 14.735 4.013 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.089 12.964 4.185 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.160 13.579 1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.645 12.177 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.873 11.243 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.576 11.738 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.132 14.583 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.092 14.278 2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.719 15.410 2.383 1.00 0.00 H new ATOM 106 N ASP A 8 -4.815 10.792 4.203 1.00 0.00 N ATOM 107 CA ASP A 8 -4.115 9.574 4.576 1.00 0.00 C ATOM 108 C ASP A 8 -3.823 8.754 3.317 1.00 0.00 C ATOM 109 O ASP A 8 -4.093 9.202 2.204 1.00 0.00 O ATOM 110 CB ASP A 8 -4.966 8.715 5.513 1.00 0.00 C ATOM 111 CG ASP A 8 -5.297 9.361 6.860 1.00 0.00 C ATOM 112 OD1 ASP A 8 -4.734 10.445 7.123 1.00 0.00 O ATOM 113 OD2 ASP A 8 -6.106 8.755 7.596 1.00 0.00 O ATOM 0 H ASP A 8 -5.781 10.655 3.904 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.193 9.856 5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.899 8.467 5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.443 7.776 5.696 1.00 0.00 H new ATOM 118 N CYS A 9 -3.275 7.568 3.537 1.00 0.00 N ATOM 119 CA CYS A 9 -2.944 6.681 2.434 1.00 0.00 C ATOM 120 C CYS A 9 -3.132 5.238 2.905 1.00 0.00 C ATOM 121 O CYS A 9 -3.801 4.447 2.242 1.00 0.00 O ATOM 122 CB CYS A 9 -1.527 6.932 1.914 1.00 0.00 C ATOM 123 SG CYS A 9 -1.360 8.380 0.808 1.00 0.00 S ATOM 0 H CYS A 9 -3.052 7.201 4.462 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.610 6.877 1.593 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.861 7.065 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.188 6.044 1.380 1.00 0.00 H new ATOM 128 N LYS A 10 -2.530 4.938 4.047 1.00 0.00 N ATOM 129 CA LYS A 10 -2.623 3.604 4.614 1.00 0.00 C ATOM 130 C LYS A 10 -4.077 3.129 4.555 1.00 0.00 C ATOM 131 O LYS A 10 -4.370 2.089 3.967 1.00 0.00 O ATOM 132 CB LYS A 10 -2.025 3.577 6.022 1.00 0.00 C ATOM 133 CG LYS A 10 -1.016 2.436 6.167 1.00 0.00 C ATOM 134 CD LYS A 10 -0.626 2.232 7.633 1.00 0.00 C ATOM 135 CE LYS A 10 -1.131 0.885 8.152 1.00 0.00 C ATOM 136 NZ LYS A 10 -0.663 0.655 9.537 1.00 0.00 N ATOM 0 H LYS A 10 -1.976 5.596 4.595 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.033 2.900 4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.536 4.528 6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.821 3.459 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.443 1.515 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.126 2.656 5.577 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.458 2.282 7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.040 3.038 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.220 0.862 8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.777 0.083 7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.015 -0.264 9.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.377 0.656 9.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.022 1.411 10.155 1.00 0.00 H new ATOM 150 N GLY A 11 -4.948 3.915 5.171 1.00 0.00 N ATOM 151 CA GLY A 11 -6.364 3.588 5.195 1.00 0.00 C ATOM 152 C GLY A 11 -6.954 3.604 3.784 1.00 0.00 C ATOM 153 O GLY A 11 -7.807 2.781 3.455 1.00 0.00 O ATOM 0 H GLY A 11 -4.701 4.777 5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.506 2.604 5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.895 4.303 5.823 1.00 0.00 H new ATOM 157 N GLN A 12 -6.478 4.550 2.988 1.00 0.00 N ATOM 158 CA GLN A 12 -6.948 4.683 1.620 1.00 0.00 C ATOM 159 C GLN A 12 -6.219 3.694 0.709 1.00 0.00 C ATOM 160 O GLN A 12 -5.562 4.095 -0.250 1.00 0.00 O ATOM 161 CB GLN A 12 -6.776 6.119 1.119 1.00 0.00 C ATOM 162 CG GLN A 12 -7.967 6.989 1.527 1.00 0.00 C ATOM 163 CD GLN A 12 -9.178 6.714 0.634 1.00 0.00 C ATOM 164 OE1 GLN A 12 -9.647 5.595 0.507 1.00 0.00 O ATOM 165 NE2 GLN A 12 -9.656 7.795 0.024 1.00 0.00 N ATOM 0 H GLN A 12 -5.772 5.232 3.264 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.013 4.450 1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.857 6.542 1.524 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.676 6.120 0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.226 6.793 2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.693 8.042 1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.215 8.702 0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.463 7.717 -0.594 1.00 0.00 H new ATOM 174 N CYS A 13 -6.360 2.419 1.041 1.00 0.00 N ATOM 175 CA CYS A 13 -5.724 1.368 0.265 1.00 0.00 C ATOM 176 C CYS A 13 -6.438 0.049 0.564 1.00 0.00 C ATOM 177 O CYS A 13 -5.796 -0.951 0.879 1.00 0.00 O ATOM 178 CB CYS A 13 -4.223 1.283 0.552 1.00 0.00 C ATOM 179 SG CYS A 13 -3.208 2.555 -0.285 1.00 0.00 S ATOM 0 H CYS A 13 -6.906 2.090 1.837 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.812 1.594 -0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.068 1.365 1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.865 0.298 0.252 1.00 0.00 H new ATOM 184 N THR A 14 -7.758 0.090 0.456 1.00 0.00 N ATOM 185 CA THR A 14 -8.567 -1.090 0.712 1.00 0.00 C ATOM 186 C THR A 14 -8.919 -1.790 -0.602 1.00 0.00 C ATOM 187 O THR A 14 -8.933 -3.018 -0.671 1.00 0.00 O ATOM 188 CB THR A 14 -9.793 -0.657 1.517 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.292 -0.465 2.837 1.00 0.00 O ATOM 190 CG2 THR A 14 -10.821 -1.780 1.668 1.00 0.00 C ATOM 0 H THR A 14 -8.288 0.922 0.195 1.00 0.00 H new ATOM 0 HA THR A 14 -8.018 -1.826 1.299 1.00 0.00 H new ATOM 0 HB THR A 14 -10.261 0.200 1.033 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.022 -0.181 3.426 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.671 -1.420 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.162 -2.096 0.682 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.364 -2.625 2.182 1.00 0.00 H new ATOM 198 N THR A 15 -9.194 -0.979 -1.613 1.00 0.00 N ATOM 199 CA THR A 15 -9.545 -1.505 -2.921 1.00 0.00 C ATOM 200 C THR A 15 -8.355 -2.244 -3.535 1.00 0.00 C ATOM 201 O THR A 15 -8.500 -3.362 -4.026 1.00 0.00 O ATOM 202 CB THR A 15 -10.047 -0.342 -3.779 1.00 0.00 C ATOM 203 OG1 THR A 15 -11.465 -0.474 -3.748 1.00 0.00 O ATOM 204 CG2 THR A 15 -9.689 -0.509 -5.258 1.00 0.00 C ATOM 0 H THR A 15 -9.181 0.039 -1.553 1.00 0.00 H new ATOM 0 HA THR A 15 -10.344 -2.243 -2.849 1.00 0.00 H new ATOM 0 HB THR A 15 -9.626 0.592 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.872 0.242 -4.279 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.068 0.343 -5.823 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.606 -0.563 -5.366 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.138 -1.426 -5.640 1.00 0.00 H new ATOM 212 N PRO A 16 -7.173 -1.572 -3.487 1.00 0.00 N ATOM 213 CA PRO A 16 -5.959 -2.153 -4.033 1.00 0.00 C ATOM 214 C PRO A 16 -5.413 -3.247 -3.113 1.00 0.00 C ATOM 215 O PRO A 16 -4.588 -4.059 -3.530 1.00 0.00 O ATOM 216 CB PRO A 16 -5.002 -0.983 -4.196 1.00 0.00 C ATOM 217 CG PRO A 16 -5.544 0.126 -3.308 1.00 0.00 C ATOM 218 CD PRO A 16 -6.964 -0.246 -2.913 1.00 0.00 C ATOM 0 HA PRO A 16 -6.124 -2.652 -4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.991 -1.261 -3.900 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.952 -0.661 -5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.920 0.245 -2.422 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.532 1.079 -3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -7.083 -0.260 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.685 0.473 -3.303 1.00 0.00 H new ATOM 226 N CYS A 17 -5.896 -3.234 -1.879 1.00 0.00 N ATOM 227 CA CYS A 17 -5.467 -4.216 -0.897 1.00 0.00 C ATOM 228 C CYS A 17 -6.692 -5.019 -0.454 1.00 0.00 C ATOM 229 O CYS A 17 -6.734 -5.526 0.666 1.00 0.00 O ATOM 230 CB CYS A 17 -4.757 -3.557 0.287 1.00 0.00 C ATOM 231 SG CYS A 17 -3.553 -2.256 -0.166 1.00 0.00 S ATOM 0 H CYS A 17 -6.580 -2.559 -1.537 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.736 -4.889 -1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.508 -3.123 0.947 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.239 -4.328 0.857 1.00 0.00 H new ATOM 236 N GLU A 18 -7.658 -5.109 -1.356 1.00 0.00 N ATOM 237 CA GLU A 18 -8.881 -5.842 -1.072 1.00 0.00 C ATOM 238 C GLU A 18 -8.626 -7.349 -1.149 1.00 0.00 C ATOM 239 O GLU A 18 -8.970 -8.087 -0.228 1.00 0.00 O ATOM 240 CB GLU A 18 -10.003 -5.426 -2.025 1.00 0.00 C ATOM 241 CG GLU A 18 -11.253 -5.004 -1.250 1.00 0.00 C ATOM 242 CD GLU A 18 -12.518 -5.571 -1.898 1.00 0.00 C ATOM 243 OE1 GLU A 18 -12.653 -6.814 -1.884 1.00 0.00 O ATOM 244 OE2 GLU A 18 -13.320 -4.750 -2.391 1.00 0.00 O ATOM 0 H GLU A 18 -7.619 -4.687 -2.284 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.201 -5.599 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.665 -4.602 -2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.246 -6.255 -2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.181 -5.352 -0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.314 -3.916 -1.216 1.00 0.00 H new ATOM 251 N PRO A 19 -8.010 -7.770 -2.285 1.00 0.00 N ATOM 252 CA PRO A 19 -7.705 -9.176 -2.494 1.00 0.00 C ATOM 253 C PRO A 19 -6.510 -9.610 -1.644 1.00 0.00 C ATOM 254 O PRO A 19 -6.428 -10.764 -1.225 1.00 0.00 O ATOM 255 CB PRO A 19 -7.451 -9.305 -3.987 1.00 0.00 C ATOM 256 CG PRO A 19 -7.165 -7.898 -4.485 1.00 0.00 C ATOM 257 CD PRO A 19 -7.588 -6.924 -3.398 1.00 0.00 C ATOM 0 HA PRO A 19 -8.517 -9.834 -2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.608 -9.968 -4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.316 -9.731 -4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.105 -7.781 -4.711 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.711 -7.701 -5.408 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.764 -6.271 -3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.400 -6.281 -3.737 1.00 0.00 H new ATOM 265 N LEU A 20 -5.613 -8.663 -1.414 1.00 0.00 N ATOM 266 CA LEU A 20 -4.426 -8.933 -0.620 1.00 0.00 C ATOM 267 C LEU A 20 -4.841 -9.269 0.813 1.00 0.00 C ATOM 268 O LEU A 20 -4.604 -10.378 1.288 1.00 0.00 O ATOM 269 CB LEU A 20 -3.440 -7.767 -0.718 1.00 0.00 C ATOM 270 CG LEU A 20 -2.554 -7.534 0.508 1.00 0.00 C ATOM 271 CD1 LEU A 20 -1.452 -8.592 0.598 1.00 0.00 C ATOM 272 CD2 LEU A 20 -1.986 -6.113 0.511 1.00 0.00 C ATOM 0 H LEU A 20 -5.684 -7.707 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.896 -9.802 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.796 -7.933 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.004 -6.855 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.172 -7.636 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.837 -8.403 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.903 -9.581 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.830 -8.546 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.360 -5.973 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.388 -5.958 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.805 -5.394 0.530 1.00 0.00 H new ATOM 284 N THR A 21 -5.455 -8.290 1.463 1.00 0.00 N ATOM 285 CA THR A 21 -5.905 -8.468 2.832 1.00 0.00 C ATOM 286 C THR A 21 -6.650 -9.797 2.980 1.00 0.00 C ATOM 287 O THR A 21 -6.377 -10.566 3.901 1.00 0.00 O ATOM 288 CB THR A 21 -6.752 -7.252 3.214 1.00 0.00 C ATOM 289 OG1 THR A 21 -5.794 -6.272 3.606 1.00 0.00 O ATOM 290 CG2 THR A 21 -7.582 -7.489 4.477 1.00 0.00 C ATOM 0 H THR A 21 -5.651 -7.371 1.066 1.00 0.00 H new ATOM 0 HA THR A 21 -5.062 -8.525 3.521 1.00 0.00 H new ATOM 0 HB THR A 21 -7.415 -6.998 2.387 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.257 -5.449 3.868 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.164 -6.595 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.256 -8.330 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.918 -7.711 5.312 1.00 0.00 H new ATOM 298 N ALA A 22 -7.575 -10.026 2.060 1.00 0.00 N ATOM 299 CA ALA A 22 -8.360 -11.248 2.077 1.00 0.00 C ATOM 300 C ALA A 22 -7.420 -12.454 2.035 1.00 0.00 C ATOM 301 O ALA A 22 -7.713 -13.496 2.621 1.00 0.00 O ATOM 302 CB ALA A 22 -9.346 -11.237 0.907 1.00 0.00 C ATOM 0 H ALA A 22 -7.798 -9.386 1.298 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.943 -11.317 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.935 -12.154 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.010 -10.378 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.796 -11.172 -0.032 1.00 0.00 H new ATOM 308 N CYS A 23 -6.308 -12.274 1.337 1.00 0.00 N ATOM 309 CA CYS A 23 -5.323 -13.334 1.211 1.00 0.00 C ATOM 310 C CYS A 23 -4.692 -13.569 2.585 1.00 0.00 C ATOM 311 O CYS A 23 -4.662 -14.698 3.073 1.00 0.00 O ATOM 312 CB CYS A 23 -4.272 -13.007 0.149 1.00 0.00 C ATOM 313 SG CYS A 23 -3.572 -14.462 -0.713 1.00 0.00 S ATOM 0 H CYS A 23 -6.068 -11.409 0.853 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.811 -14.249 0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -4.719 -12.344 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -3.459 -12.456 0.621 1.00 0.00 H new ATOM 318 N LYS A 24 -4.203 -12.485 3.169 1.00 0.00 N ATOM 319 CA LYS A 24 -3.574 -12.559 4.477 1.00 0.00 C ATOM 320 C LYS A 24 -4.564 -13.153 5.481 1.00 0.00 C ATOM 321 O LYS A 24 -4.217 -14.055 6.241 1.00 0.00 O ATOM 322 CB LYS A 24 -3.029 -11.190 4.887 1.00 0.00 C ATOM 323 CG LYS A 24 -1.513 -11.123 4.691 1.00 0.00 C ATOM 324 CD LYS A 24 -1.061 -9.692 4.393 1.00 0.00 C ATOM 325 CE LYS A 24 -0.683 -8.957 5.681 1.00 0.00 C ATOM 326 NZ LYS A 24 -1.897 -8.594 6.446 1.00 0.00 N ATOM 0 H LYS A 24 -4.230 -11.551 2.761 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.711 -13.224 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.511 -10.411 4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.273 -10.995 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.011 -11.488 5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.219 -11.779 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.207 -9.710 3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.860 -9.153 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.037 -9.589 6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.115 -8.058 5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.675 -7.817 7.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.644 -8.291 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.226 -9.419 6.987 1.00 0.00 H new ATOM 340 N GLU A 25 -5.778 -12.621 5.452 1.00 0.00 N ATOM 341 CA GLU A 25 -6.821 -13.087 6.350 1.00 0.00 C ATOM 342 C GLU A 25 -7.034 -14.593 6.180 1.00 0.00 C ATOM 343 O GLU A 25 -6.718 -15.373 7.076 1.00 0.00 O ATOM 344 CB GLU A 25 -8.124 -12.319 6.122 1.00 0.00 C ATOM 345 CG GLU A 25 -8.507 -11.508 7.361 1.00 0.00 C ATOM 346 CD GLU A 25 -9.471 -12.292 8.253 1.00 0.00 C ATOM 347 OE1 GLU A 25 -10.286 -13.048 7.682 1.00 0.00 O ATOM 348 OE2 GLU A 25 -9.372 -12.118 9.487 1.00 0.00 O ATOM 0 H GLU A 25 -6.062 -11.872 4.821 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.502 -12.899 7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.012 -11.652 5.267 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.924 -13.018 5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.610 -11.253 7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.969 -10.569 7.057 1.00 0.00 H new ATOM 355 N LYS A 26 -7.570 -14.955 5.023 1.00 0.00 N ATOM 356 CA LYS A 26 -7.829 -16.353 4.724 1.00 0.00 C ATOM 357 C LYS A 26 -6.669 -17.205 5.243 1.00 0.00 C ATOM 358 O LYS A 26 -6.886 -18.269 5.822 1.00 0.00 O ATOM 359 CB LYS A 26 -8.109 -16.539 3.231 1.00 0.00 C ATOM 360 CG LYS A 26 -9.108 -17.673 2.998 1.00 0.00 C ATOM 361 CD LYS A 26 -8.445 -18.850 2.278 1.00 0.00 C ATOM 362 CE LYS A 26 -9.487 -19.716 1.568 1.00 0.00 C ATOM 363 NZ LYS A 26 -9.296 -19.659 0.102 1.00 0.00 N ATOM 0 H LYS A 26 -7.832 -14.305 4.282 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.729 -16.692 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.501 -15.612 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.178 -16.756 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.513 -18.008 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.948 -17.307 2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.722 -18.477 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.892 -19.455 2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.406 -20.747 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.489 -19.372 1.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.011 -20.252 -0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.396 -18.676 -0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.346 -20.008 -0.138 1.00 0.00 H new ATOM 377 N CYS A 27 -5.463 -16.706 5.017 1.00 0.00 N ATOM 378 CA CYS A 27 -4.269 -17.408 5.455 1.00 0.00 C ATOM 379 C CYS A 27 -4.242 -17.403 6.985 1.00 0.00 C ATOM 380 O CYS A 27 -4.138 -18.457 7.611 1.00 0.00 O ATOM 381 CB CYS A 27 -3.001 -16.793 4.860 1.00 0.00 C ATOM 382 SG CYS A 27 -2.887 -16.882 3.036 1.00 0.00 S ATOM 0 H CYS A 27 -5.287 -15.824 4.536 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.298 -18.437 5.097 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.945 -15.747 5.163 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.134 -17.296 5.289 1.00 0.00 H new ATOM 387 N ALA A 28 -4.337 -16.205 7.543 1.00 0.00 N ATOM 388 CA ALA A 28 -4.325 -16.049 8.987 1.00 0.00 C ATOM 389 C ALA A 28 -5.150 -17.169 9.624 1.00 0.00 C ATOM 390 O ALA A 28 -4.734 -17.765 10.616 1.00 0.00 O ATOM 391 CB ALA A 28 -4.847 -14.659 9.355 1.00 0.00 C ATOM 0 H ALA A 28 -4.423 -15.333 7.021 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.309 -16.128 9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.838 -14.542 10.439 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.209 -13.899 8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.866 -14.544 8.986 1.00 0.00 H new ATOM 397 N GLU A 29 -6.306 -17.422 9.027 1.00 0.00 N ATOM 398 CA GLU A 29 -7.194 -18.459 9.523 1.00 0.00 C ATOM 399 C GLU A 29 -6.529 -19.832 9.397 1.00 0.00 C ATOM 400 O GLU A 29 -6.411 -20.561 10.380 1.00 0.00 O ATOM 401 CB GLU A 29 -8.536 -18.431 8.789 1.00 0.00 C ATOM 402 CG GLU A 29 -9.488 -17.417 9.426 1.00 0.00 C ATOM 403 CD GLU A 29 -9.830 -17.814 10.864 1.00 0.00 C ATOM 404 OE1 GLU A 29 -10.492 -18.863 11.021 1.00 0.00 O ATOM 405 OE2 GLU A 29 -9.421 -17.060 11.773 1.00 0.00 O ATOM 0 H GLU A 29 -6.648 -16.926 8.204 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.391 -18.267 10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.376 -18.177 7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.987 -19.423 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.030 -16.428 9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.402 -17.351 8.836 1.00 0.00 H new ATOM 412 N SER A 30 -6.111 -20.141 8.179 1.00 0.00 N ATOM 413 CA SER A 30 -5.460 -21.413 7.911 1.00 0.00 C ATOM 414 C SER A 30 -4.184 -21.534 8.746 1.00 0.00 C ATOM 415 O SER A 30 -3.724 -22.640 9.026 1.00 0.00 O ATOM 416 CB SER A 30 -5.137 -21.564 6.423 1.00 0.00 C ATOM 417 OG SER A 30 -5.752 -22.718 5.858 1.00 0.00 O ATOM 0 H SER A 30 -6.210 -19.533 7.366 1.00 0.00 H new ATOM 0 HA SER A 30 -6.146 -22.213 8.189 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.472 -20.676 5.887 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.057 -21.627 6.291 1.00 0.00 H new ATOM 0 HG SER A 30 -5.523 -22.778 4.907 1.00 0.00 H new ATOM 423 N CYS A 31 -3.649 -20.382 9.122 1.00 0.00 N ATOM 424 CA CYS A 31 -2.436 -20.345 9.920 1.00 0.00 C ATOM 425 C CYS A 31 -2.806 -19.905 11.338 1.00 0.00 C ATOM 426 O CYS A 31 -2.198 -18.986 11.885 1.00 0.00 O ATOM 427 CB CYS A 31 -1.377 -19.432 9.298 1.00 0.00 C ATOM 428 SG CYS A 31 -0.629 -20.067 7.753 1.00 0.00 S ATOM 0 H CYS A 31 -4.034 -19.467 8.888 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.990 -21.339 9.954 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.829 -18.461 9.094 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.585 -19.268 10.028 1.00 0.00 H new ATOM 433 N GLU A 32 -3.801 -20.582 11.892 1.00 0.00 N ATOM 434 CA GLU A 32 -4.259 -20.272 13.236 1.00 0.00 C ATOM 435 C GLU A 32 -3.350 -20.934 14.273 1.00 0.00 C ATOM 436 O GLU A 32 -3.154 -22.148 14.248 1.00 0.00 O ATOM 437 CB GLU A 32 -5.715 -20.701 13.431 1.00 0.00 C ATOM 438 CG GLU A 32 -6.642 -19.484 13.487 1.00 0.00 C ATOM 439 CD GLU A 32 -7.998 -19.856 14.089 1.00 0.00 C ATOM 440 OE1 GLU A 32 -8.657 -20.741 13.502 1.00 0.00 O ATOM 441 OE2 GLU A 32 -8.346 -19.247 15.124 1.00 0.00 O ATOM 0 H GLU A 32 -4.303 -21.344 11.435 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.210 -19.192 13.375 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.018 -21.356 12.614 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.808 -21.276 14.352 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.179 -18.697 14.082 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.783 -19.083 12.483 1.00 0.00 H new ATOM 448 N THR A 33 -2.817 -20.106 15.160 1.00 0.00 N ATOM 449 CA THR A 33 -1.932 -20.596 16.203 1.00 0.00 C ATOM 450 C THR A 33 -0.908 -21.570 15.620 1.00 0.00 C ATOM 451 O THR A 33 -0.459 -22.489 16.305 1.00 0.00 O ATOM 452 CB THR A 33 -2.797 -21.211 17.306 1.00 0.00 C ATOM 453 OG1 THR A 33 -3.387 -22.351 16.689 1.00 0.00 O ATOM 454 CG2 THR A 33 -3.990 -20.327 17.676 1.00 0.00 C ATOM 0 H THR A 33 -2.981 -19.099 15.178 1.00 0.00 H new ATOM 0 HA THR A 33 -1.349 -19.785 16.640 1.00 0.00 H new ATOM 0 HB THR A 33 -2.186 -21.385 18.192 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.884 -22.582 15.880 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.570 -20.810 18.462 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.631 -19.361 18.031 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.620 -20.180 16.799 1.00 0.00 H new ATOM 462 N SER A 34 -0.567 -21.338 14.361 1.00 0.00 N ATOM 463 CA SER A 34 0.397 -22.184 13.677 1.00 0.00 C ATOM 464 C SER A 34 1.819 -21.786 14.078 1.00 0.00 C ATOM 465 O SER A 34 2.071 -20.633 14.425 1.00 0.00 O ATOM 466 CB SER A 34 0.229 -22.094 12.159 1.00 0.00 C ATOM 467 OG SER A 34 -0.197 -23.332 11.596 1.00 0.00 O ATOM 0 H SER A 34 -0.941 -20.576 13.796 1.00 0.00 H new ATOM 0 HA SER A 34 0.218 -23.217 13.975 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.498 -21.318 11.920 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.175 -21.796 11.706 1.00 0.00 H new ATOM 0 HG SER A 34 -0.295 -23.234 10.626 1.00 0.00 H new ATOM 473 N ALA A 35 2.711 -22.764 14.018 1.00 0.00 N ATOM 474 CA ALA A 35 4.101 -22.531 14.371 1.00 0.00 C ATOM 475 C ALA A 35 4.647 -21.371 13.536 1.00 0.00 C ATOM 476 O ALA A 35 4.806 -21.496 12.322 1.00 0.00 O ATOM 477 CB ALA A 35 4.901 -23.820 14.172 1.00 0.00 C ATOM 0 H ALA A 35 2.498 -23.719 13.730 1.00 0.00 H new ATOM 0 HA ALA A 35 4.189 -22.251 15.421 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.944 -23.646 14.437 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.491 -24.604 14.808 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.838 -24.130 13.129 1.00 0.00 H new ATOM 483 N ASP A 36 4.919 -20.269 14.219 1.00 0.00 N ATOM 484 CA ASP A 36 5.444 -19.087 13.555 1.00 0.00 C ATOM 485 C ASP A 36 4.391 -18.541 12.588 1.00 0.00 C ATOM 486 O ASP A 36 4.590 -18.559 11.374 1.00 0.00 O ATOM 487 CB ASP A 36 6.700 -19.421 12.747 1.00 0.00 C ATOM 488 CG ASP A 36 7.708 -20.322 13.463 1.00 0.00 C ATOM 489 OD1 ASP A 36 8.411 -19.793 14.352 1.00 0.00 O ATOM 490 OD2 ASP A 36 7.755 -21.519 13.105 1.00 0.00 O ATOM 0 H ASP A 36 4.786 -20.169 15.225 1.00 0.00 H new ATOM 0 HA ASP A 36 5.693 -18.352 14.321 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.398 -19.905 11.818 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.197 -18.490 12.475 1.00 0.00 H new ATOM 495 N LYS A 37 3.295 -18.068 13.163 1.00 0.00 N ATOM 496 CA LYS A 37 2.211 -17.518 12.367 1.00 0.00 C ATOM 497 C LYS A 37 2.795 -16.671 11.234 1.00 0.00 C ATOM 498 O LYS A 37 2.529 -16.929 10.061 1.00 0.00 O ATOM 499 CB LYS A 37 1.225 -16.759 13.257 1.00 0.00 C ATOM 500 CG LYS A 37 -0.213 -16.956 12.774 1.00 0.00 C ATOM 501 CD LYS A 37 -1.166 -15.989 13.480 1.00 0.00 C ATOM 502 CE LYS A 37 -2.022 -16.720 14.515 1.00 0.00 C ATOM 503 NZ LYS A 37 -3.451 -16.675 14.131 1.00 0.00 N ATOM 0 H LYS A 37 3.134 -18.054 14.170 1.00 0.00 H new ATOM 0 HA LYS A 37 1.635 -18.318 11.903 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.317 -17.106 14.286 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.471 -15.697 13.255 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.263 -16.800 11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.526 -17.983 12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.594 -15.200 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.811 -15.507 12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.695 -17.756 14.600 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.888 -16.262 15.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.018 -17.176 14.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.764 -15.685 14.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.576 -17.133 13.206 1.00 0.00 H new ATOM 517 N LYS A 38 3.579 -15.677 11.625 1.00 0.00 N ATOM 518 CA LYS A 38 4.203 -14.791 10.657 1.00 0.00 C ATOM 519 C LYS A 38 4.710 -15.614 9.472 1.00 0.00 C ATOM 520 O LYS A 38 4.176 -15.513 8.368 1.00 0.00 O ATOM 521 CB LYS A 38 5.287 -13.944 11.327 1.00 0.00 C ATOM 522 CG LYS A 38 4.909 -12.461 11.317 1.00 0.00 C ATOM 523 CD LYS A 38 3.708 -12.196 12.228 1.00 0.00 C ATOM 524 CE LYS A 38 3.759 -10.778 12.802 1.00 0.00 C ATOM 525 NZ LYS A 38 3.110 -9.822 11.878 1.00 0.00 N ATOM 0 H LYS A 38 3.796 -15.466 12.599 1.00 0.00 H new ATOM 0 HA LYS A 38 3.474 -14.082 10.264 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.432 -14.279 12.354 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.236 -14.085 10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.759 -11.863 11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.674 -12.148 10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.784 -12.332 11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.697 -12.922 13.041 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.260 -10.753 13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.795 -10.484 12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.153 -8.865 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.604 -9.834 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.116 -10.094 11.738 1.00 0.00 H new ATOM 539 N THR A 39 5.735 -16.409 9.740 1.00 0.00 N ATOM 540 CA THR A 39 6.321 -17.249 8.709 1.00 0.00 C ATOM 541 C THR A 39 5.223 -17.912 7.874 1.00 0.00 C ATOM 542 O THR A 39 5.189 -17.760 6.654 1.00 0.00 O ATOM 543 CB THR A 39 7.256 -18.251 9.389 1.00 0.00 C ATOM 544 OG1 THR A 39 8.133 -17.437 10.162 1.00 0.00 O ATOM 545 CG2 THR A 39 8.180 -18.957 8.395 1.00 0.00 C ATOM 0 H THR A 39 6.175 -16.489 10.657 1.00 0.00 H new ATOM 0 HA THR A 39 6.910 -16.660 8.006 1.00 0.00 H new ATOM 0 HB THR A 39 6.665 -18.994 9.925 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.773 -18.006 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.822 -19.657 8.929 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.581 -19.500 7.664 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.796 -18.218 7.883 1.00 0.00 H new ATOM 553 N CYS A 40 4.353 -18.634 8.565 1.00 0.00 N ATOM 554 CA CYS A 40 3.258 -19.321 7.903 1.00 0.00 C ATOM 555 C CYS A 40 2.605 -18.348 6.919 1.00 0.00 C ATOM 556 O CYS A 40 2.649 -18.561 5.708 1.00 0.00 O ATOM 557 CB CYS A 40 2.248 -19.877 8.909 1.00 0.00 C ATOM 558 SG CYS A 40 1.037 -21.057 8.209 1.00 0.00 S ATOM 0 H CYS A 40 4.385 -18.758 9.577 1.00 0.00 H new ATOM 0 HA CYS A 40 3.643 -20.183 7.359 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.792 -20.371 9.714 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.706 -19.044 9.356 1.00 0.00 H new ATOM 563 N ARG A 41 2.016 -17.300 7.475 1.00 0.00 N ATOM 564 CA ARG A 41 1.355 -16.293 6.661 1.00 0.00 C ATOM 565 C ARG A 41 2.282 -15.828 5.536 1.00 0.00 C ATOM 566 O ARG A 41 1.884 -15.794 4.373 1.00 0.00 O ATOM 567 CB ARG A 41 0.943 -15.086 7.505 1.00 0.00 C ATOM 568 CG ARG A 41 -0.166 -15.458 8.491 1.00 0.00 C ATOM 569 CD ARG A 41 -1.050 -14.250 8.804 1.00 0.00 C ATOM 570 NE ARG A 41 -0.969 -13.922 10.245 1.00 0.00 N ATOM 571 CZ ARG A 41 -1.536 -12.844 10.803 1.00 0.00 C ATOM 572 NH1 ARG A 41 -2.228 -11.983 10.045 1.00 0.00 N ATOM 573 NH2 ARG A 41 -1.410 -12.627 12.119 1.00 0.00 N ATOM 0 H ARG A 41 1.982 -17.126 8.479 1.00 0.00 H new ATOM 0 HA ARG A 41 0.460 -16.746 6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.807 -14.707 8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.600 -14.282 6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.775 -16.260 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.275 -15.839 9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.733 -13.393 8.209 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.083 -14.464 8.529 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.449 -14.556 10.851 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.323 -12.148 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.660 -11.162 10.470 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.883 -13.282 12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.842 -11.806 12.544 1.00 0.00 H new ATOM 587 N ARG A 42 3.501 -15.482 5.923 1.00 0.00 N ATOM 588 CA ARG A 42 4.488 -15.021 4.961 1.00 0.00 C ATOM 589 C ARG A 42 4.518 -15.948 3.745 1.00 0.00 C ATOM 590 O ARG A 42 4.459 -15.486 2.606 1.00 0.00 O ATOM 591 CB ARG A 42 5.884 -14.966 5.587 1.00 0.00 C ATOM 592 CG ARG A 42 6.521 -13.590 5.387 1.00 0.00 C ATOM 593 CD ARG A 42 6.241 -12.677 6.582 1.00 0.00 C ATOM 594 NE ARG A 42 5.124 -11.759 6.268 1.00 0.00 N ATOM 595 CZ ARG A 42 4.628 -10.858 7.127 1.00 0.00 C ATOM 596 NH1 ARG A 42 5.147 -10.748 8.357 1.00 0.00 N ATOM 597 NH2 ARG A 42 3.612 -10.067 6.755 1.00 0.00 N ATOM 0 H ARG A 42 3.828 -15.512 6.889 1.00 0.00 H new ATOM 0 HA ARG A 42 4.202 -14.016 4.649 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.818 -15.189 6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.517 -15.732 5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.597 -13.700 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.131 -13.134 4.477 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.994 -13.277 7.458 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.135 -12.104 6.829 1.00 0.00 H new ATOM 0 HE ARG A 42 4.705 -11.815 5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.920 -11.350 8.640 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.769 -10.062 9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.217 -10.151 5.818 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.234 -9.381 7.408 1.00 0.00 H new ATOM 611 N ASN A 43 4.610 -17.239 4.027 1.00 0.00 N ATOM 612 CA ASN A 43 4.649 -18.236 2.970 1.00 0.00 C ATOM 613 C ASN A 43 3.319 -18.221 2.213 1.00 0.00 C ATOM 614 O ASN A 43 3.295 -18.364 0.991 1.00 0.00 O ATOM 615 CB ASN A 43 4.851 -19.639 3.543 1.00 0.00 C ATOM 616 CG ASN A 43 6.265 -20.149 3.259 1.00 0.00 C ATOM 617 OD1 ASN A 43 6.770 -20.070 2.151 1.00 0.00 O ATOM 618 ND2 ASN A 43 6.874 -20.675 4.318 1.00 0.00 N ATOM 0 H ASN A 43 4.659 -17.618 4.973 1.00 0.00 H new ATOM 0 HA ASN A 43 5.481 -17.994 2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.675 -19.625 4.619 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.120 -20.322 3.109 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.821 -21.043 4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.394 -20.710 5.217 1.00 0.00 H new ATOM 625 N CYS A 44 2.246 -18.048 2.970 1.00 0.00 N ATOM 626 CA CYS A 44 0.916 -18.014 2.386 1.00 0.00 C ATOM 627 C CYS A 44 0.808 -16.763 1.511 1.00 0.00 C ATOM 628 O CYS A 44 -0.021 -16.705 0.604 1.00 0.00 O ATOM 629 CB CYS A 44 -0.175 -18.056 3.458 1.00 0.00 C ATOM 630 SG CYS A 44 -1.795 -18.679 2.880 1.00 0.00 S ATOM 0 H CYS A 44 2.270 -17.930 3.983 1.00 0.00 H new ATOM 0 HA CYS A 44 0.763 -18.901 1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.167 -18.684 4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.310 -17.051 3.859 1.00 0.00 H new ATOM 635 N LYS A 45 1.657 -15.792 1.815 1.00 0.00 N ATOM 636 CA LYS A 45 1.667 -14.546 1.067 1.00 0.00 C ATOM 637 C LYS A 45 2.300 -14.785 -0.305 1.00 0.00 C ATOM 638 O LYS A 45 2.122 -13.984 -1.222 1.00 0.00 O ATOM 639 CB LYS A 45 2.351 -13.442 1.877 1.00 0.00 C ATOM 640 CG LYS A 45 1.515 -12.161 1.872 1.00 0.00 C ATOM 641 CD LYS A 45 2.380 -10.943 1.543 1.00 0.00 C ATOM 642 CE LYS A 45 2.505 -10.016 2.754 1.00 0.00 C ATOM 643 NZ LYS A 45 3.920 -9.643 2.976 1.00 0.00 N ATOM 0 H LYS A 45 2.342 -15.843 2.569 1.00 0.00 H new ATOM 0 HA LYS A 45 0.649 -14.198 0.892 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.501 -13.779 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.338 -13.238 1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.712 -12.249 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.045 -12.025 2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.371 -11.271 1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.943 -10.398 0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.907 -9.119 2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.110 -10.511 3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.988 -9.014 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.482 -10.501 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.286 -9.152 2.135 1.00 0.00 H new ATOM 657 N LYS A 46 3.027 -15.888 -0.402 1.00 0.00 N ATOM 658 CA LYS A 46 3.687 -16.242 -1.647 1.00 0.00 C ATOM 659 C LYS A 46 2.798 -17.206 -2.435 1.00 0.00 C ATOM 660 O LYS A 46 2.902 -17.294 -3.658 1.00 0.00 O ATOM 661 CB LYS A 46 5.091 -16.785 -1.374 1.00 0.00 C ATOM 662 CG LYS A 46 5.755 -17.265 -2.666 1.00 0.00 C ATOM 663 CD LYS A 46 6.400 -16.098 -3.417 1.00 0.00 C ATOM 664 CE LYS A 46 7.760 -15.743 -2.814 1.00 0.00 C ATOM 665 NZ LYS A 46 8.755 -16.794 -3.123 1.00 0.00 N ATOM 0 H LYS A 46 3.174 -16.548 0.361 1.00 0.00 H new ATOM 0 HA LYS A 46 3.827 -15.357 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.702 -16.008 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.034 -17.609 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.511 -18.015 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.013 -17.747 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.521 -16.360 -4.468 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.743 -15.229 -3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 46 8.100 -14.785 -3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.667 -15.629 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.714 -16.401 -3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.642 -17.585 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.609 -17.135 -4.095 1.00 0.00 H new ATOM 679 N ALA A 47 1.944 -17.906 -1.703 1.00 0.00 N ATOM 680 CA ALA A 47 1.038 -18.861 -2.318 1.00 0.00 C ATOM 681 C ALA A 47 0.376 -18.216 -3.537 1.00 0.00 C ATOM 682 O ALA A 47 0.531 -18.697 -4.659 1.00 0.00 O ATOM 683 CB ALA A 47 0.016 -19.335 -1.282 1.00 0.00 C ATOM 0 H ALA A 47 1.860 -17.831 -0.689 1.00 0.00 H new ATOM 0 HA ALA A 47 1.583 -19.739 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.664 -20.051 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.535 -19.811 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.552 -18.481 -0.914 1.00 0.00 H new ATOM 689 N ASP A 48 -0.349 -17.138 -3.277 1.00 0.00 N ATOM 690 CA ASP A 48 -1.035 -16.423 -4.339 1.00 0.00 C ATOM 691 C ASP A 48 -1.385 -15.014 -3.856 1.00 0.00 C ATOM 692 O ASP A 48 -2.481 -14.519 -4.116 1.00 0.00 O ATOM 693 CB ASP A 48 -2.337 -17.127 -4.726 1.00 0.00 C ATOM 694 CG ASP A 48 -2.807 -16.876 -6.160 1.00 0.00 C ATOM 695 OD1 ASP A 48 -3.353 -15.777 -6.394 1.00 0.00 O ATOM 696 OD2 ASP A 48 -2.608 -17.790 -6.990 1.00 0.00 O ATOM 0 H ASP A 48 -0.476 -16.742 -2.345 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.373 -16.389 -5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.208 -18.200 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.122 -16.807 -4.041 1.00 0.00 H new ATOM 701 N CYS A 49 -0.434 -14.407 -3.162 1.00 0.00 N ATOM 702 CA CYS A 49 -0.628 -13.065 -2.640 1.00 0.00 C ATOM 703 C CYS A 49 0.568 -12.208 -3.062 1.00 0.00 C ATOM 704 O CYS A 49 0.884 -11.214 -2.411 1.00 0.00 O ATOM 705 CB CYS A 49 -0.819 -13.070 -1.122 1.00 0.00 C ATOM 706 SG CYS A 49 -1.626 -14.571 -0.455 1.00 0.00 S ATOM 0 H CYS A 49 0.474 -14.820 -2.949 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.543 -12.640 -3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.155 -12.957 -0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.413 -12.200 -0.842 1.00 0.00 H new ATOM 711 N GLU A 50 1.199 -12.625 -4.150 1.00 0.00 N ATOM 712 CA GLU A 50 2.353 -11.908 -4.666 1.00 0.00 C ATOM 713 C GLU A 50 1.903 -10.671 -5.446 1.00 0.00 C ATOM 714 O GLU A 50 2.406 -9.572 -5.217 1.00 0.00 O ATOM 715 CB GLU A 50 3.220 -12.820 -5.536 1.00 0.00 C ATOM 716 CG GLU A 50 4.460 -13.290 -4.772 1.00 0.00 C ATOM 717 CD GLU A 50 5.696 -13.284 -5.675 1.00 0.00 C ATOM 718 OE1 GLU A 50 5.619 -13.925 -6.745 1.00 0.00 O ATOM 719 OE2 GLU A 50 6.688 -12.638 -5.274 1.00 0.00 O ATOM 0 H GLU A 50 0.933 -13.450 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 50 2.961 -11.580 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.637 -13.683 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.524 -12.287 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.630 -12.641 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.293 -14.295 -4.384 1.00 0.00 H new ATOM 726 N PRO A 51 0.937 -10.898 -6.375 1.00 0.00 N ATOM 727 CA PRO A 51 0.414 -9.815 -7.191 1.00 0.00 C ATOM 728 C PRO A 51 -0.527 -8.922 -6.379 1.00 0.00 C ATOM 729 O PRO A 51 -0.525 -7.703 -6.540 1.00 0.00 O ATOM 730 CB PRO A 51 -0.278 -10.499 -8.358 1.00 0.00 C ATOM 731 CG PRO A 51 -0.520 -11.933 -7.916 1.00 0.00 C ATOM 732 CD PRO A 51 0.318 -12.186 -6.674 1.00 0.00 C ATOM 0 HA PRO A 51 1.195 -9.143 -7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.217 -10.002 -8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.342 -10.466 -9.254 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.577 -12.093 -7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.246 -12.628 -8.709 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.299 -12.531 -5.844 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.070 -12.954 -6.854 1.00 0.00 H new ATOM 740 N GLN A 52 -1.309 -9.565 -5.524 1.00 0.00 N ATOM 741 CA GLN A 52 -2.253 -8.845 -4.686 1.00 0.00 C ATOM 742 C GLN A 52 -1.515 -7.851 -3.787 1.00 0.00 C ATOM 743 O GLN A 52 -1.916 -6.694 -3.673 1.00 0.00 O ATOM 744 CB GLN A 52 -3.099 -9.812 -3.856 1.00 0.00 C ATOM 745 CG GLN A 52 -3.939 -10.718 -4.757 1.00 0.00 C ATOM 746 CD GLN A 52 -4.656 -11.794 -3.938 1.00 0.00 C ATOM 747 OE1 GLN A 52 -4.633 -11.800 -2.718 1.00 0.00 O ATOM 748 NE2 GLN A 52 -5.293 -12.700 -4.675 1.00 0.00 N ATOM 0 H GLN A 52 -1.308 -10.577 -5.394 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.929 -8.286 -5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.450 -10.420 -3.226 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.753 -9.249 -3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.672 -10.120 -5.299 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.299 -11.190 -5.503 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.272 -12.636 -5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.803 -13.459 -4.222 1.00 0.00 H new ATOM 757 N ASP A 53 -0.448 -8.339 -3.171 1.00 0.00 N ATOM 758 CA ASP A 53 0.350 -7.508 -2.285 1.00 0.00 C ATOM 759 C ASP A 53 0.933 -6.338 -3.080 1.00 0.00 C ATOM 760 O ASP A 53 0.958 -5.207 -2.597 1.00 0.00 O ATOM 761 CB ASP A 53 1.514 -8.301 -1.688 1.00 0.00 C ATOM 762 CG ASP A 53 2.170 -7.662 -0.462 1.00 0.00 C ATOM 763 OD1 ASP A 53 1.568 -6.704 0.069 1.00 0.00 O ATOM 764 OD2 ASP A 53 3.258 -8.146 -0.083 1.00 0.00 O ATOM 0 H ASP A 53 -0.118 -9.299 -3.268 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.295 -7.154 -1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.155 -9.293 -1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.273 -8.438 -2.458 1.00 0.00 H new ATOM 769 N LYS A 54 1.389 -6.650 -4.284 1.00 0.00 N ATOM 770 CA LYS A 54 1.970 -5.638 -5.149 1.00 0.00 C ATOM 771 C LYS A 54 0.960 -4.507 -5.355 1.00 0.00 C ATOM 772 O LYS A 54 1.271 -3.342 -5.112 1.00 0.00 O ATOM 773 CB LYS A 54 2.462 -6.267 -6.454 1.00 0.00 C ATOM 774 CG LYS A 54 3.781 -7.012 -6.241 1.00 0.00 C ATOM 775 CD LYS A 54 4.238 -7.699 -7.529 1.00 0.00 C ATOM 776 CE LYS A 54 5.103 -8.923 -7.221 1.00 0.00 C ATOM 777 NZ LYS A 54 5.570 -9.557 -8.475 1.00 0.00 N ATOM 0 H LYS A 54 1.368 -7.589 -4.681 1.00 0.00 H new ATOM 0 HA LYS A 54 2.851 -5.198 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.709 -6.956 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.596 -5.491 -7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.547 -6.313 -5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.660 -7.754 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.368 -8.001 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.803 -6.995 -8.140 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.960 -8.627 -6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.531 -9.642 -6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.156 -10.386 -8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.749 -9.857 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.134 -8.874 -9.020 1.00 0.00 H new ATOM 791 N VAL A 55 -0.227 -4.891 -5.799 1.00 0.00 N ATOM 792 CA VAL A 55 -1.285 -3.923 -6.039 1.00 0.00 C ATOM 793 C VAL A 55 -1.383 -2.974 -4.843 1.00 0.00 C ATOM 794 O VAL A 55 -1.675 -1.790 -5.008 1.00 0.00 O ATOM 795 CB VAL A 55 -2.599 -4.648 -6.337 1.00 0.00 C ATOM 796 CG1 VAL A 55 -3.781 -3.678 -6.294 1.00 0.00 C ATOM 797 CG2 VAL A 55 -2.533 -5.373 -7.683 1.00 0.00 C ATOM 0 H VAL A 55 -0.480 -5.859 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.057 -3.317 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.752 -5.398 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.703 -4.218 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.847 -3.228 -5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.637 -2.895 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.480 -5.880 -7.870 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.345 -4.650 -8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.727 -6.106 -7.662 1.00 0.00 H new ATOM 807 N CYS A 56 -1.134 -3.529 -3.666 1.00 0.00 N ATOM 808 CA CYS A 56 -1.191 -2.746 -2.443 1.00 0.00 C ATOM 809 C CYS A 56 -0.128 -1.649 -2.525 1.00 0.00 C ATOM 810 O CYS A 56 -0.454 -0.463 -2.545 1.00 0.00 O ATOM 811 CB CYS A 56 -1.012 -3.623 -1.202 1.00 0.00 C ATOM 812 SG CYS A 56 -1.743 -2.941 0.331 1.00 0.00 S ATOM 0 H CYS A 56 -0.892 -4.511 -3.533 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.176 -2.289 -2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -1.456 -4.599 -1.397 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.054 -3.785 -1.039 1.00 0.00 H new ATOM 817 N ASP A 57 1.123 -2.084 -2.570 1.00 0.00 N ATOM 818 CA ASP A 57 2.236 -1.153 -2.650 1.00 0.00 C ATOM 819 C ASP A 57 1.894 -0.039 -3.640 1.00 0.00 C ATOM 820 O ASP A 57 1.972 1.142 -3.303 1.00 0.00 O ATOM 821 CB ASP A 57 3.505 -1.852 -3.144 1.00 0.00 C ATOM 822 CG ASP A 57 4.811 -1.121 -2.828 1.00 0.00 C ATOM 823 OD1 ASP A 57 4.716 0.008 -2.300 1.00 0.00 O ATOM 824 OD2 ASP A 57 5.875 -1.707 -3.123 1.00 0.00 O ATOM 0 H ASP A 57 1.390 -3.068 -2.553 1.00 0.00 H new ATOM 0 HA ASP A 57 2.411 -0.751 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.548 -2.848 -2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.432 -1.984 -4.224 1.00 0.00 H new ATOM 829 N ALA A 58 1.524 -0.453 -4.843 1.00 0.00 N ATOM 830 CA ALA A 58 1.169 0.496 -5.885 1.00 0.00 C ATOM 831 C ALA A 58 0.324 1.619 -5.281 1.00 0.00 C ATOM 832 O ALA A 58 0.635 2.796 -5.453 1.00 0.00 O ATOM 833 CB ALA A 58 0.444 -0.235 -7.016 1.00 0.00 C ATOM 0 H ALA A 58 1.462 -1.433 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 58 2.064 0.950 -6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.178 0.477 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.098 -1.002 -7.431 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.461 -0.701 -6.626 1.00 0.00 H new ATOM 839 N CYS A 59 -0.729 1.215 -4.585 1.00 0.00 N ATOM 840 CA CYS A 59 -1.621 2.172 -3.954 1.00 0.00 C ATOM 841 C CYS A 59 -0.782 3.108 -3.082 1.00 0.00 C ATOM 842 O CYS A 59 -0.821 4.325 -3.256 1.00 0.00 O ATOM 843 CB CYS A 59 -2.720 1.476 -3.149 1.00 0.00 C ATOM 844 SG CYS A 59 -3.817 2.602 -2.212 1.00 0.00 S ATOM 0 H CYS A 59 -0.984 0.237 -4.444 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.135 2.753 -4.720 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.329 0.882 -3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.254 0.781 -2.450 1.00 0.00 H new ATOM 849 N ARG A 60 -0.043 2.505 -2.162 1.00 0.00 N ATOM 850 CA ARG A 60 0.804 3.270 -1.263 1.00 0.00 C ATOM 851 C ARG A 60 1.788 4.127 -2.061 1.00 0.00 C ATOM 852 O ARG A 60 2.198 5.194 -1.607 1.00 0.00 O ATOM 853 CB ARG A 60 1.585 2.348 -0.325 1.00 0.00 C ATOM 854 CG ARG A 60 0.640 1.582 0.604 1.00 0.00 C ATOM 855 CD ARG A 60 1.360 1.150 1.883 1.00 0.00 C ATOM 856 NE ARG A 60 1.077 -0.275 2.166 1.00 0.00 N ATOM 857 CZ ARG A 60 1.642 -0.970 3.162 1.00 0.00 C ATOM 858 NH1 ARG A 60 2.524 -0.375 3.978 1.00 0.00 N ATOM 859 NH2 ARG A 60 1.326 -2.259 3.344 1.00 0.00 N ATOM 0 H ARG A 60 -0.013 1.495 -2.020 1.00 0.00 H new ATOM 0 HA ARG A 60 0.158 3.914 -0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.175 1.643 -0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.286 2.936 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.214 2.210 0.858 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.249 0.705 0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.434 1.302 1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.034 1.767 2.720 1.00 0.00 H new ATOM 0 HE ARG A 60 0.410 -0.758 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.765 0.607 3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.954 -0.904 4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.655 -2.712 2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.757 -2.787 4.103 1.00 0.00 H new ATOM 873 N MET A 61 2.140 3.627 -3.237 1.00 0.00 N ATOM 874 CA MET A 61 3.069 4.334 -4.103 1.00 0.00 C ATOM 875 C MET A 61 2.381 5.507 -4.803 1.00 0.00 C ATOM 876 O MET A 61 2.916 6.614 -4.837 1.00 0.00 O ATOM 877 CB MET A 61 3.625 3.368 -5.151 1.00 0.00 C ATOM 878 CG MET A 61 4.222 4.130 -6.336 1.00 0.00 C ATOM 879 SD MET A 61 5.779 3.397 -6.811 1.00 0.00 S ATOM 880 CE MET A 61 5.300 2.616 -8.343 1.00 0.00 C ATOM 0 H MET A 61 1.799 2.741 -3.610 1.00 0.00 H new ATOM 0 HA MET A 61 3.881 4.727 -3.491 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.389 2.735 -4.699 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.831 2.709 -5.501 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.530 4.110 -7.178 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.370 5.176 -6.069 1.00 0.00 H new ATOM 0 HE1 MET A 61 6.161 2.108 -8.777 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.510 1.890 -8.150 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.936 3.372 -9.039 1.00 0.00 H new ATOM 890 N LYS A 62 1.206 5.225 -5.345 1.00 0.00 N ATOM 891 CA LYS A 62 0.439 6.243 -6.043 1.00 0.00 C ATOM 892 C LYS A 62 -0.031 7.298 -5.039 1.00 0.00 C ATOM 893 O LYS A 62 0.257 8.483 -5.198 1.00 0.00 O ATOM 894 CB LYS A 62 -0.698 5.604 -6.842 1.00 0.00 C ATOM 895 CG LYS A 62 -0.555 5.904 -8.336 1.00 0.00 C ATOM 896 CD LYS A 62 0.044 4.708 -9.080 1.00 0.00 C ATOM 897 CE LYS A 62 1.534 4.557 -8.766 1.00 0.00 C ATOM 898 NZ LYS A 62 2.334 4.629 -10.009 1.00 0.00 N ATOM 0 H LYS A 62 0.766 4.305 -5.315 1.00 0.00 H new ATOM 0 HA LYS A 62 1.063 6.755 -6.776 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.698 4.526 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.656 5.980 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.531 6.147 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.080 6.779 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.485 3.798 -8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.094 4.837 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.848 5.342 -8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.712 3.605 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.346 4.644 -9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.131 3.799 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.088 5.495 -10.530 1.00 0.00 H new ATOM 912 N CYS A 63 -0.748 6.829 -4.028 1.00 0.00 N ATOM 913 CA CYS A 63 -1.261 7.717 -2.999 1.00 0.00 C ATOM 914 C CYS A 63 -0.155 8.705 -2.622 1.00 0.00 C ATOM 915 O CYS A 63 -0.388 9.911 -2.566 1.00 0.00 O ATOM 916 CB CYS A 63 -1.771 6.940 -1.784 1.00 0.00 C ATOM 917 SG CYS A 63 -2.819 7.908 -0.638 1.00 0.00 S ATOM 0 H CYS A 63 -0.986 5.845 -3.900 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.121 8.265 -3.384 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.340 6.078 -2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.914 6.554 -1.232 1.00 0.00 H new ATOM 922 N HIS A 64 1.025 8.156 -2.372 1.00 0.00 N ATOM 923 CA HIS A 64 2.167 8.973 -2.001 1.00 0.00 C ATOM 924 C HIS A 64 2.251 10.188 -2.927 1.00 0.00 C ATOM 925 O HIS A 64 2.365 11.321 -2.462 1.00 0.00 O ATOM 926 CB HIS A 64 3.452 8.142 -1.996 1.00 0.00 C ATOM 927 CG HIS A 64 4.280 8.298 -0.743 1.00 0.00 C ATOM 928 ND1 HIS A 64 5.243 7.381 -0.362 1.00 0.00 N ATOM 929 CD2 HIS A 64 4.279 9.274 0.210 1.00 0.00 C ATOM 930 CE1 HIS A 64 5.790 7.795 0.771 1.00 0.00 C ATOM 931 NE2 HIS A 64 5.191 8.968 1.124 1.00 0.00 N ATOM 0 H HIS A 64 1.214 7.155 -2.419 1.00 0.00 H new ATOM 0 HA HIS A 64 2.039 9.343 -0.984 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.193 7.090 -2.119 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.058 8.424 -2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.644 10.147 0.219 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.573 7.292 1.319 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.408 9.520 1.954 1.00 0.00 H new ATOM 939 N LYS A 65 2.190 9.911 -4.221 1.00 0.00 N ATOM 940 CA LYS A 65 2.258 10.967 -5.217 1.00 0.00 C ATOM 941 C LYS A 65 0.931 11.730 -5.236 1.00 0.00 C ATOM 942 O LYS A 65 0.913 12.954 -5.119 1.00 0.00 O ATOM 943 CB LYS A 65 2.658 10.395 -6.578 1.00 0.00 C ATOM 944 CG LYS A 65 2.072 11.232 -7.718 1.00 0.00 C ATOM 945 CD LYS A 65 2.499 10.679 -9.079 1.00 0.00 C ATOM 946 CE LYS A 65 3.482 11.624 -9.772 1.00 0.00 C ATOM 947 NZ LYS A 65 2.767 12.788 -10.343 1.00 0.00 N ATOM 0 H LYS A 65 2.094 8.970 -4.603 1.00 0.00 H new ATOM 0 HA LYS A 65 3.036 11.685 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.745 10.371 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.309 9.366 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.984 11.237 -7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.402 12.266 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.961 9.700 -8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.621 10.536 -9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.232 11.965 -9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.012 11.092 -10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.449 13.419 -10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.068 12.459 -11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.281 13.305 -9.582 1.00 0.00 H new ATOM 961 N ALA A 66 -0.147 10.974 -5.384 1.00 0.00 N ATOM 962 CA ALA A 66 -1.475 11.563 -5.420 1.00 0.00 C ATOM 963 C ALA A 66 -1.594 12.609 -4.309 1.00 0.00 C ATOM 964 O ALA A 66 -2.093 13.710 -4.539 1.00 0.00 O ATOM 965 CB ALA A 66 -2.527 10.459 -5.296 1.00 0.00 C ATOM 0 H ALA A 66 -0.128 9.959 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.645 12.070 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.523 10.901 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.418 9.758 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.390 9.930 -4.353 1.00 0.00 H new ATOM 971 N CYS A 67 -1.127 12.228 -3.129 1.00 0.00 N ATOM 972 CA CYS A 67 -1.176 13.119 -1.982 1.00 0.00 C ATOM 973 C CYS A 67 -0.391 14.387 -2.326 1.00 0.00 C ATOM 974 O CYS A 67 -0.948 15.484 -2.330 1.00 0.00 O ATOM 975 CB CYS A 67 -0.642 12.443 -0.718 1.00 0.00 C ATOM 976 SG CYS A 67 -0.431 13.558 0.718 1.00 0.00 S ATOM 0 H CYS A 67 -0.713 11.315 -2.942 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.212 13.381 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.322 11.638 -0.438 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.319 11.983 -0.947 1.00 0.00 H new ATOM 981 N ARG A 68 0.889 14.195 -2.606 1.00 0.00 N ATOM 982 CA ARG A 68 1.756 15.309 -2.950 1.00 0.00 C ATOM 983 C ARG A 68 1.043 16.257 -3.917 1.00 0.00 C ATOM 984 O ARG A 68 0.855 17.434 -3.613 1.00 0.00 O ATOM 985 CB ARG A 68 3.055 14.819 -3.593 1.00 0.00 C ATOM 986 CG ARG A 68 3.939 15.996 -4.008 1.00 0.00 C ATOM 987 CD ARG A 68 4.414 15.842 -5.454 1.00 0.00 C ATOM 988 NE ARG A 68 5.593 14.949 -5.508 1.00 0.00 N ATOM 989 CZ ARG A 68 6.059 14.386 -6.631 1.00 0.00 C ATOM 990 NH1 ARG A 68 5.449 14.621 -7.801 1.00 0.00 N ATOM 991 NH2 ARG A 68 7.134 13.589 -6.585 1.00 0.00 N ATOM 0 H ARG A 68 1.347 13.284 -2.602 1.00 0.00 H new ATOM 0 HA ARG A 68 1.998 15.838 -2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.595 14.184 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.825 14.207 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.384 16.928 -3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.801 16.060 -3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.611 15.434 -6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.668 16.818 -5.868 1.00 0.00 H new ATOM 0 HE ARG A 68 6.082 14.750 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.630 15.228 -7.836 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.804 14.193 -8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.599 13.410 -5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.488 13.161 -7.440 1.00 0.00 H new ATOM 1005 N ALA A 69 0.664 15.709 -5.062 1.00 0.00 N ATOM 1006 CA ALA A 69 -0.024 16.490 -6.075 1.00 0.00 C ATOM 1007 C ALA A 69 -1.316 17.059 -5.484 1.00 0.00 C ATOM 1008 O ALA A 69 -1.750 18.146 -5.863 1.00 0.00 O ATOM 1009 CB ALA A 69 -0.280 15.619 -7.306 1.00 0.00 C ATOM 0 H ALA A 69 0.821 14.732 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 69 0.591 17.331 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.796 16.206 -8.066 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.670 15.265 -7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.897 14.765 -7.026 1.00 0.00 H new ATOM 1015 N ALA A 70 -1.893 16.299 -4.566 1.00 0.00 N ATOM 1016 CA ALA A 70 -3.126 16.713 -3.919 1.00 0.00 C ATOM 1017 C ALA A 70 -2.817 17.805 -2.893 1.00 0.00 C ATOM 1018 O ALA A 70 -2.751 18.984 -3.237 1.00 0.00 O ATOM 1019 CB ALA A 70 -3.806 15.496 -3.288 1.00 0.00 C ATOM 0 H ALA A 70 -1.529 15.398 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.819 17.132 -4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.731 15.807 -2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.031 14.763 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.141 15.050 -2.549 1.00 0.00 H new ATOM 1025 N ASN A 71 -2.636 17.374 -1.653 1.00 0.00 N ATOM 1026 CA ASN A 71 -2.335 18.300 -0.575 1.00 0.00 C ATOM 1027 C ASN A 71 -1.357 19.363 -1.080 1.00 0.00 C ATOM 1028 O ASN A 71 -1.738 20.515 -1.286 1.00 0.00 O ATOM 1029 CB ASN A 71 -1.681 17.579 0.605 1.00 0.00 C ATOM 1030 CG ASN A 71 -2.727 17.167 1.643 1.00 0.00 C ATOM 1031 OD1 ASN A 71 -3.034 17.894 2.575 1.00 0.00 O ATOM 1032 ND2 ASN A 71 -3.255 15.965 1.433 1.00 0.00 N ATOM 0 H ASN A 71 -2.692 16.395 -1.371 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.272 18.751 -0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.150 16.696 0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.940 18.230 1.069 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.962 15.600 2.071 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.953 15.408 0.634 1.00 0.00 H new ATOM 1039 N CYS A 72 -0.115 18.939 -1.265 1.00 0.00 N ATOM 1040 CA CYS A 72 0.920 19.840 -1.741 1.00 0.00 C ATOM 1041 C CYS A 72 0.642 20.156 -3.212 1.00 0.00 C ATOM 1042 O CYS A 72 -0.244 19.560 -3.822 1.00 0.00 O ATOM 1043 CB CYS A 72 2.318 19.253 -1.538 1.00 0.00 C ATOM 1044 SG CYS A 72 2.745 18.870 0.200 1.00 0.00 S ATOM 0 H CYS A 72 0.197 17.983 -1.094 1.00 0.00 H new ATOM 0 HA CYS A 72 0.897 20.763 -1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.403 18.340 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.052 19.956 -1.931 1.00 0.00 H new ATOM 1049 N ALA A 73 1.417 21.093 -3.740 1.00 0.00 N ATOM 1050 CA ALA A 73 1.265 21.495 -5.128 1.00 0.00 C ATOM 1051 C ALA A 73 2.321 22.548 -5.467 1.00 0.00 C ATOM 1052 O ALA A 73 2.987 22.456 -6.498 1.00 0.00 O ATOM 1053 CB ALA A 73 -0.160 22.002 -5.360 1.00 0.00 C ATOM 0 H ALA A 73 2.152 21.585 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 73 1.421 20.646 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.274 22.304 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.870 21.207 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.352 22.857 -4.712 1.00 0.00 H new ATOM 1059 N SER A 74 2.442 23.526 -4.581 1.00 0.00 N ATOM 1060 CA SER A 74 3.406 24.596 -4.774 1.00 0.00 C ATOM 1061 C SER A 74 4.760 24.193 -4.185 1.00 0.00 C ATOM 1062 O SER A 74 5.806 24.586 -4.699 1.00 0.00 O ATOM 1063 CB SER A 74 2.918 25.899 -4.139 1.00 0.00 C ATOM 1064 OG SER A 74 2.678 26.911 -5.113 1.00 0.00 O ATOM 0 H SER A 74 1.888 23.600 -3.728 1.00 0.00 H new ATOM 0 HA SER A 74 3.518 24.766 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.001 25.709 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.660 26.253 -3.423 1.00 0.00 H new ATOM 0 HG SER A 74 2.366 27.726 -4.668 1.00 0.00 H new ATOM 1070 N GLU A 75 4.695 23.414 -3.115 1.00 0.00 N ATOM 1071 CA GLU A 75 5.903 22.954 -2.450 1.00 0.00 C ATOM 1072 C GLU A 75 6.596 21.881 -3.292 1.00 0.00 C ATOM 1073 O GLU A 75 7.756 21.551 -3.051 1.00 0.00 O ATOM 1074 CB GLU A 75 5.591 22.433 -1.046 1.00 0.00 C ATOM 1075 CG GLU A 75 4.924 23.515 -0.195 1.00 0.00 C ATOM 1076 CD GLU A 75 5.965 24.466 0.397 1.00 0.00 C ATOM 1077 OE1 GLU A 75 6.784 24.977 -0.397 1.00 0.00 O ATOM 1078 OE2 GLU A 75 5.919 24.662 1.631 1.00 0.00 O ATOM 0 H GLU A 75 3.825 23.090 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 75 6.582 23.800 -2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.937 21.564 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.511 22.102 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.217 24.078 -0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.353 23.050 0.608 1.00 0.00 H new ATOM 1085 N CYS A 76 5.856 21.367 -4.264 1.00 0.00 N ATOM 1086 CA CYS A 76 6.385 20.338 -5.143 1.00 0.00 C ATOM 1087 C CYS A 76 5.887 20.617 -6.562 1.00 0.00 C ATOM 1088 O CYS A 76 4.710 20.420 -6.861 1.00 0.00 O ATOM 1089 CB CYS A 76 6.001 18.935 -4.668 1.00 0.00 C ATOM 1090 SG CYS A 76 5.855 18.753 -2.853 1.00 0.00 S ATOM 0 H CYS A 76 4.895 21.644 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 76 7.474 20.368 -5.129 1.00 0.00 H new ATOM 0 HB2 CYS A 76 5.050 18.660 -5.124 1.00 0.00 H new ATOM 0 HB3 CYS A 76 6.746 18.227 -5.031 1.00 0.00 H new ATOM 1095 N PRO A 77 6.833 21.082 -7.422 1.00 0.00 N ATOM 1096 CA PRO A 77 6.502 21.389 -8.803 1.00 0.00 C ATOM 1097 C PRO A 77 6.335 20.109 -9.625 1.00 0.00 C ATOM 1098 O PRO A 77 6.327 19.010 -9.073 1.00 0.00 O ATOM 1099 CB PRO A 77 7.642 22.266 -9.295 1.00 0.00 C ATOM 1100 CG PRO A 77 8.792 22.036 -8.328 1.00 0.00 C ATOM 1101 CD PRO A 77 8.236 21.326 -7.104 1.00 0.00 C ATOM 0 HA PRO A 77 5.548 21.906 -8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.928 22.000 -10.313 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.349 23.316 -9.310 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.571 21.435 -8.797 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.248 22.985 -8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.766 20.393 -6.912 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.338 21.940 -6.209 1.00 0.00 H new ATOM 1109 N LYS A 78 6.204 20.295 -10.930 1.00 0.00 N ATOM 1110 CA LYS A 78 6.037 19.169 -11.833 1.00 0.00 C ATOM 1111 C LYS A 78 7.221 18.213 -11.674 1.00 0.00 C ATOM 1112 O LYS A 78 7.054 17.083 -11.217 1.00 0.00 O ATOM 1113 CB LYS A 78 5.832 19.659 -13.268 1.00 0.00 C ATOM 1114 CG LYS A 78 4.414 19.350 -13.755 1.00 0.00 C ATOM 1115 CD LYS A 78 4.423 18.903 -15.218 1.00 0.00 C ATOM 1116 CE LYS A 78 4.530 17.380 -15.326 1.00 0.00 C ATOM 1117 NZ LYS A 78 3.757 16.887 -16.487 1.00 0.00 N ATOM 0 H LYS A 78 6.210 21.209 -11.384 1.00 0.00 H new ATOM 0 HA LYS A 78 5.137 18.608 -11.580 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.012 20.733 -13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.559 19.183 -13.926 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.975 18.569 -13.135 1.00 0.00 H new ATOM 0 HG3 LYS A 78 3.787 20.235 -13.645 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.512 19.243 -15.711 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.260 19.368 -15.739 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.576 17.089 -15.428 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.158 16.918 -14.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.840 15.852 -16.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.757 17.148 -16.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.130 17.314 -17.359 1.00 0.00 H new ATOM 1131 N HIS A 79 8.391 18.701 -12.059 1.00 0.00 N ATOM 1132 CA HIS A 79 9.602 17.904 -11.965 1.00 0.00 C ATOM 1133 C HIS A 79 10.492 18.453 -10.848 1.00 0.00 C ATOM 1134 O HIS A 79 10.877 19.621 -10.873 1.00 0.00 O ATOM 1135 CB HIS A 79 10.318 17.842 -13.316 1.00 0.00 C ATOM 1136 CG HIS A 79 9.421 17.462 -14.469 1.00 0.00 C ATOM 1137 ND1 HIS A 79 9.615 17.932 -15.756 1.00 0.00 N ATOM 1138 CD2 HIS A 79 8.324 16.652 -14.516 1.00 0.00 C ATOM 1139 CE1 HIS A 79 8.671 17.423 -16.534 1.00 0.00 C ATOM 1140 NE2 HIS A 79 7.872 16.630 -15.764 1.00 0.00 N ATOM 0 H HIS A 79 8.526 19.639 -12.437 1.00 0.00 H new ATOM 0 HA HIS A 79 9.346 16.876 -11.707 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.767 18.814 -13.523 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.134 17.122 -13.251 1.00 0.00 H new ATOM 0 HD1 HIS A 79 10.358 18.563 -16.055 1.00 0.00 H new ATOM 0 HD2 HIS A 79 7.896 16.119 -13.680 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.555 17.604 -17.592 1.00 0.00 H new ATOM 1148 N GLU A 80 10.792 17.585 -9.893 1.00 0.00 N ATOM 1149 CA GLU A 80 11.628 17.968 -8.769 1.00 0.00 C ATOM 1150 C GLU A 80 12.717 16.918 -8.535 1.00 0.00 C ATOM 1151 O GLU A 80 12.962 16.071 -9.393 1.00 0.00 O ATOM 1152 CB GLU A 80 10.789 18.178 -7.507 1.00 0.00 C ATOM 1153 CG GLU A 80 10.198 16.855 -7.015 1.00 0.00 C ATOM 1154 CD GLU A 80 8.848 17.078 -6.331 1.00 0.00 C ATOM 1155 OE1 GLU A 80 8.048 17.856 -6.895 1.00 0.00 O ATOM 1156 OE2 GLU A 80 8.646 16.466 -5.260 1.00 0.00 O ATOM 0 H GLU A 80 10.471 16.617 -9.875 1.00 0.00 H new ATOM 0 HA GLU A 80 12.110 18.916 -9.007 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.407 18.618 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 80 9.985 18.885 -7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 80 10.075 16.172 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.889 16.381 -6.318 1.00 0.00 H new ATOM 1163 N HIS A 81 13.340 17.007 -7.369 1.00 0.00 N ATOM 1164 CA HIS A 81 14.396 16.075 -7.012 1.00 0.00 C ATOM 1165 C HIS A 81 14.573 16.059 -5.492 1.00 0.00 C ATOM 1166 O HIS A 81 15.574 16.552 -4.975 1.00 0.00 O ATOM 1167 CB HIS A 81 15.690 16.409 -7.756 1.00 0.00 C ATOM 1168 CG HIS A 81 16.267 17.761 -7.408 1.00 0.00 C ATOM 1169 ND1 HIS A 81 17.589 18.095 -7.646 1.00 0.00 N ATOM 1170 CD2 HIS A 81 15.689 18.857 -6.839 1.00 0.00 C ATOM 1171 CE1 HIS A 81 17.786 19.339 -7.234 1.00 0.00 C ATOM 1172 NE2 HIS A 81 16.608 19.809 -6.734 1.00 0.00 N ATOM 0 H HIS A 81 13.134 17.710 -6.659 1.00 0.00 H new ATOM 0 HA HIS A 81 14.117 15.068 -7.322 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.432 15.641 -7.536 1.00 0.00 H new ATOM 0 HB3 HIS A 81 15.500 16.371 -8.829 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.658 18.937 -6.527 1.00 0.00 H new ATOM 0 HE1 HIS A 81 18.717 19.885 -7.285 1.00 0.00 H new ATOM 0 HE2 HIS A 81 16.458 20.739 -6.343 1.00 0.00 H new ATOM 1180 N LYS A 82 13.586 15.486 -4.819 1.00 0.00 N ATOM 1181 CA LYS A 82 13.620 15.399 -3.369 1.00 0.00 C ATOM 1182 C LYS A 82 13.761 16.805 -2.782 1.00 0.00 C ATOM 1183 O LYS A 82 14.721 17.089 -2.067 1.00 0.00 O ATOM 1184 CB LYS A 82 14.715 14.431 -2.917 1.00 0.00 C ATOM 1185 CG LYS A 82 14.144 13.031 -2.678 1.00 0.00 C ATOM 1186 CD LYS A 82 15.204 12.102 -2.082 1.00 0.00 C ATOM 1187 CE LYS A 82 16.026 11.430 -3.183 1.00 0.00 C ATOM 1188 NZ LYS A 82 16.546 10.124 -2.719 1.00 0.00 N ATOM 0 H LYS A 82 12.757 15.077 -5.251 1.00 0.00 H new ATOM 0 HA LYS A 82 12.685 14.987 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.499 14.384 -3.673 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.177 14.801 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.289 13.093 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.780 12.617 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.864 12.670 -1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.722 11.342 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.409 11.288 -4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.855 12.076 -3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.102 9.682 -3.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.152 10.268 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.751 9.504 -2.466 1.00 0.00 H new ATOM 1202 N SER A 83 12.789 17.646 -3.104 1.00 0.00 N ATOM 1203 CA SER A 83 12.793 19.015 -2.617 1.00 0.00 C ATOM 1204 C SER A 83 12.552 19.033 -1.106 1.00 0.00 C ATOM 1205 O SER A 83 11.734 18.269 -0.595 1.00 0.00 O ATOM 1206 CB SER A 83 11.735 19.857 -3.333 1.00 0.00 C ATOM 1207 OG SER A 83 11.225 20.895 -2.500 1.00 0.00 O ATOM 0 H SER A 83 11.994 17.406 -3.696 1.00 0.00 H new ATOM 0 HA SER A 83 13.770 19.451 -2.828 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.168 20.294 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.916 19.214 -3.653 1.00 0.00 H new ATOM 0 HG SER A 83 11.403 21.765 -2.915 1.00 0.00 H new ATOM 1213 N ASP A 84 13.278 19.914 -0.433 1.00 0.00 N ATOM 1214 CA ASP A 84 13.154 20.042 1.009 1.00 0.00 C ATOM 1215 C ASP A 84 11.764 20.583 1.350 1.00 0.00 C ATOM 1216 O ASP A 84 11.035 19.981 2.137 1.00 0.00 O ATOM 1217 CB ASP A 84 14.192 21.017 1.567 1.00 0.00 C ATOM 1218 CG ASP A 84 15.631 20.757 1.117 1.00 0.00 C ATOM 1219 OD1 ASP A 84 15.988 19.564 1.017 1.00 0.00 O ATOM 1220 OD2 ASP A 84 16.341 21.759 0.882 1.00 0.00 O ATOM 0 H ASP A 84 13.955 20.546 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 84 13.311 19.058 1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.913 22.029 1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 84 14.155 20.979 2.656 1.00 0.00 H new ATOM 1225 N THR A 85 11.439 21.714 0.741 1.00 0.00 N ATOM 1226 CA THR A 85 10.150 22.344 0.971 1.00 0.00 C ATOM 1227 C THR A 85 9.016 21.360 0.677 1.00 0.00 C ATOM 1228 O THR A 85 7.895 21.539 1.151 1.00 0.00 O ATOM 1229 CB THR A 85 10.086 23.615 0.122 1.00 0.00 C ATOM 1230 OG1 THR A 85 9.285 24.507 0.892 1.00 0.00 O ATOM 1231 CG2 THR A 85 9.289 23.418 -1.169 1.00 0.00 C ATOM 0 H THR A 85 12.046 22.210 0.089 1.00 0.00 H new ATOM 0 HA THR A 85 10.030 22.628 2.016 1.00 0.00 H new ATOM 0 HB THR A 85 11.098 23.939 -0.122 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.489 24.759 0.378 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.275 24.350 -1.734 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.756 22.637 -1.769 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.268 23.126 -0.925 1.00 0.00 H new ATOM 1239 N CYS A 86 9.346 20.342 -0.104 1.00 0.00 N ATOM 1240 CA CYS A 86 8.369 19.329 -0.467 1.00 0.00 C ATOM 1241 C CYS A 86 8.249 18.340 0.694 1.00 0.00 C ATOM 1242 O CYS A 86 7.182 18.204 1.290 1.00 0.00 O ATOM 1243 CB CYS A 86 8.739 18.630 -1.777 1.00 0.00 C ATOM 1244 SG CYS A 86 7.446 17.522 -2.447 1.00 0.00 S ATOM 0 H CYS A 86 10.276 20.197 -0.496 1.00 0.00 H new ATOM 0 HA CYS A 86 7.402 19.799 -0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.971 19.389 -2.525 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.648 18.050 -1.619 1.00 0.00 H new ATOM 1249 N ARG A 87 9.359 17.674 0.979 1.00 0.00 N ATOM 1250 CA ARG A 87 9.391 16.701 2.057 1.00 0.00 C ATOM 1251 C ARG A 87 8.843 17.318 3.345 1.00 0.00 C ATOM 1252 O ARG A 87 8.326 16.608 4.207 1.00 0.00 O ATOM 1253 CB ARG A 87 10.816 16.201 2.305 1.00 0.00 C ATOM 1254 CG ARG A 87 11.363 15.474 1.075 1.00 0.00 C ATOM 1255 CD ARG A 87 12.585 14.626 1.438 1.00 0.00 C ATOM 1256 NE ARG A 87 12.157 13.400 2.148 1.00 0.00 N ATOM 1257 CZ ARG A 87 12.982 12.615 2.854 1.00 0.00 C ATOM 1258 NH1 ARG A 87 14.282 12.923 2.950 1.00 0.00 N ATOM 1259 NH2 ARG A 87 12.506 11.521 3.465 1.00 0.00 N ATOM 0 H ARG A 87 10.242 17.789 0.482 1.00 0.00 H new ATOM 0 HA ARG A 87 8.768 15.857 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.463 17.043 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.825 15.529 3.163 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.587 14.837 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.634 16.201 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.135 14.360 0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.264 15.202 2.067 1.00 0.00 H new ATOM 0 HE ARG A 87 11.173 13.136 2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.644 13.756 2.486 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.909 12.325 3.488 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.516 11.286 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.134 10.923 4.003 1.00 0.00 H new ATOM 1273 N ALA A 88 8.974 18.633 3.436 1.00 0.00 N ATOM 1274 CA ALA A 88 8.499 19.354 4.605 1.00 0.00 C ATOM 1275 C ALA A 88 6.985 19.549 4.497 1.00 0.00 C ATOM 1276 O ALA A 88 6.275 19.490 5.500 1.00 0.00 O ATOM 1277 CB ALA A 88 9.250 20.681 4.728 1.00 0.00 C ATOM 0 H ALA A 88 9.402 19.218 2.719 1.00 0.00 H new ATOM 0 HA ALA A 88 8.695 18.784 5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.893 21.221 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.318 20.487 4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.075 21.282 3.836 1.00 0.00 H new ATOM 1283 N CYS A 89 6.536 19.777 3.272 1.00 0.00 N ATOM 1284 CA CYS A 89 5.119 19.982 3.020 1.00 0.00 C ATOM 1285 C CYS A 89 4.399 18.646 3.217 1.00 0.00 C ATOM 1286 O CYS A 89 3.455 18.555 4.000 1.00 0.00 O ATOM 1287 CB CYS A 89 4.871 20.565 1.628 1.00 0.00 C ATOM 1288 SG CYS A 89 3.113 20.621 1.122 1.00 0.00 S ATOM 0 H CYS A 89 7.128 19.824 2.443 1.00 0.00 H new ATOM 0 HA CYS A 89 4.723 20.714 3.724 1.00 0.00 H new ATOM 0 HB2 CYS A 89 5.276 21.576 1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 89 5.426 19.975 0.898 1.00 0.00 H new ATOM 1293 N MET A 90 4.872 17.643 2.492 1.00 0.00 N ATOM 1294 CA MET A 90 4.285 16.317 2.577 1.00 0.00 C ATOM 1295 C MET A 90 4.398 15.757 3.996 1.00 0.00 C ATOM 1296 O MET A 90 3.553 14.974 4.428 1.00 0.00 O ATOM 1297 CB MET A 90 4.997 15.379 1.599 1.00 0.00 C ATOM 1298 CG MET A 90 4.439 15.536 0.184 1.00 0.00 C ATOM 1299 SD MET A 90 3.301 14.208 -0.174 1.00 0.00 S ATOM 1300 CE MET A 90 4.437 12.833 -0.228 1.00 0.00 C ATOM 0 H MET A 90 5.655 17.722 1.843 1.00 0.00 H new ATOM 0 HA MET A 90 3.229 16.391 2.319 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.066 15.592 1.598 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.878 14.347 1.928 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.932 16.496 0.089 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.254 15.533 -0.540 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.297 12.282 -1.158 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.461 13.204 -0.177 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.249 12.172 0.618 1.00 0.00 H new ATOM 1310 N LYS A 91 5.449 16.179 4.683 1.00 0.00 N ATOM 1311 CA LYS A 91 5.684 15.730 6.044 1.00 0.00 C ATOM 1312 C LYS A 91 4.524 16.182 6.933 1.00 0.00 C ATOM 1313 O LYS A 91 3.999 15.397 7.721 1.00 0.00 O ATOM 1314 CB LYS A 91 7.055 16.201 6.535 1.00 0.00 C ATOM 1315 CG LYS A 91 7.117 16.207 8.064 1.00 0.00 C ATOM 1316 CD LYS A 91 8.527 16.542 8.554 1.00 0.00 C ATOM 1317 CE LYS A 91 8.487 17.181 9.943 1.00 0.00 C ATOM 1318 NZ LYS A 91 9.853 17.536 10.390 1.00 0.00 N ATOM 0 H LYS A 91 6.148 16.828 4.322 1.00 0.00 H new ATOM 0 HA LYS A 91 5.713 14.641 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.832 15.547 6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.257 17.203 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.409 16.936 8.457 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.817 15.232 8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.130 15.635 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.008 17.222 7.851 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.862 18.074 9.921 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.033 16.491 10.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.808 17.969 11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.439 16.678 10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.273 18.211 9.720 1.00 0.00 H new ATOM 1332 N THR A 92 4.158 17.446 6.776 1.00 0.00 N ATOM 1333 CA THR A 92 3.069 18.011 7.555 1.00 0.00 C ATOM 1334 C THR A 92 1.721 17.660 6.921 1.00 0.00 C ATOM 1335 O THR A 92 0.869 17.049 7.565 1.00 0.00 O ATOM 1336 CB THR A 92 3.308 19.517 7.677 1.00 0.00 C ATOM 1337 OG1 THR A 92 4.310 19.629 8.685 1.00 0.00 O ATOM 1338 CG2 THR A 92 2.104 20.256 8.266 1.00 0.00 C ATOM 0 H THR A 92 4.596 18.094 6.121 1.00 0.00 H new ATOM 0 HA THR A 92 3.040 17.588 8.559 1.00 0.00 H new ATOM 0 HB THR A 92 3.541 19.928 6.695 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.527 20.574 8.827 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.327 21.321 8.331 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.235 20.105 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.891 19.869 9.262 1.00 0.00 H new ATOM 1346 N ASN A 93 1.571 18.061 5.667 1.00 0.00 N ATOM 1347 CA ASN A 93 0.341 17.796 4.940 1.00 0.00 C ATOM 1348 C ASN A 93 0.086 16.287 4.910 1.00 0.00 C ATOM 1349 O ASN A 93 -0.875 15.805 5.507 1.00 0.00 O ATOM 1350 CB ASN A 93 0.440 18.287 3.494 1.00 0.00 C ATOM 1351 CG ASN A 93 0.043 19.761 3.388 1.00 0.00 C ATOM 1352 OD1 ASN A 93 -0.992 20.114 2.847 1.00 0.00 O ATOM 1353 ND2 ASN A 93 0.920 20.598 3.932 1.00 0.00 N ATOM 0 H ASN A 93 2.280 18.567 5.136 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.469 18.321 5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.459 18.154 3.130 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.208 17.685 2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.746 21.603 3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.767 20.236 4.369 1.00 0.00 H new ATOM 1360 N CYS A 94 0.964 15.585 4.210 1.00 0.00 N ATOM 1361 CA CYS A 94 0.846 14.141 4.095 1.00 0.00 C ATOM 1362 C CYS A 94 1.221 13.519 5.441 1.00 0.00 C ATOM 1363 O CYS A 94 2.281 12.909 5.574 1.00 0.00 O ATOM 1364 CB CYS A 94 1.706 13.592 2.954 1.00 0.00 C ATOM 1365 SG CYS A 94 0.864 12.378 1.875 1.00 0.00 S ATOM 0 H CYS A 94 1.760 15.989 3.717 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.182 13.877 3.848 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.048 14.426 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.594 13.125 3.379 1.00 0.00 H new ATOM 1370 N LYS A 95 0.332 13.696 6.407 1.00 0.00 N ATOM 1371 CA LYS A 95 0.556 13.160 7.739 1.00 0.00 C ATOM 1372 C LYS A 95 1.138 11.750 7.625 1.00 0.00 C ATOM 1373 O LYS A 95 2.003 11.366 8.410 1.00 0.00 O ATOM 1374 CB LYS A 95 -0.728 13.230 8.568 1.00 0.00 C ATOM 1375 CG LYS A 95 -0.420 13.568 10.028 1.00 0.00 C ATOM 1376 CD LYS A 95 -1.077 12.561 10.974 1.00 0.00 C ATOM 1377 CE LYS A 95 -0.116 12.152 12.093 1.00 0.00 C ATOM 1378 NZ LYS A 95 0.949 11.270 11.565 1.00 0.00 N ATOM 0 H LYS A 95 -0.546 14.203 6.294 1.00 0.00 H new ATOM 0 HA LYS A 95 1.287 13.765 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.395 13.984 8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.252 12.276 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.659 13.570 10.185 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.777 14.573 10.256 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.979 12.996 11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.386 11.678 10.414 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.329 13.040 12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.665 11.637 12.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.424 10.788 12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.530 10.562 10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.643 11.840 11.040 1.00 0.00 H new TER 1392 LYS A 95