USER MOD reduce.3.24.130724 H: found=0, std=0, add=356, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 353 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 23 SER OG : rot -29:sc= -0.703 USER MOD Set 1.2: A 38 MET CE :methyl -128:sc= -0.939 (180deg=-6.41!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -173:sc= -2.2! (180deg=-1.26!) USER MOD Set 2.2: A 17 ASN : amide:sc= -0.523 K(o=-2.7,f=-13!) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -44:sc= 0.0264 USER MOD Single : A 9 MET CE :methyl 170:sc= -1.56 (180deg=-2.16) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 26 ASN : amide:sc= -8.13! C(o=-8.1!,f=-7.3!) USER MOD Single : A 31 ASN : amide:sc= -2.03 K(o=-2,f=-5.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -130:sc= -0.283 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -2.166 21.779 -1.013 1.00 0.00 N ATOM 2 CA ASN A 1 -1.660 22.741 -2.031 1.00 0.00 C ATOM 3 C ASN A 1 -2.117 22.298 -3.422 1.00 0.00 C ATOM 4 O ASN A 1 -2.647 23.077 -4.190 1.00 0.00 O ATOM 5 CB ASN A 1 -0.131 22.774 -1.988 1.00 0.00 C ATOM 6 CG ASN A 1 0.377 23.934 -2.846 1.00 0.00 C ATOM 7 OD1 ASN A 1 0.826 23.731 -3.957 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.322 25.149 -2.375 1.00 0.00 N ATOM 0 H1 ASN A 1 -1.856 22.079 -0.067 1.00 0.00 H new ATOM 0 H2 ASN A 1 -3.205 21.754 -1.045 1.00 0.00 H new ATOM 0 H3 ASN A 1 -1.791 20.830 -1.215 1.00 0.00 H new ATOM 0 HA ASN A 1 -2.052 23.735 -1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 1 0.212 22.890 -0.960 1.00 0.00 H new ATOM 0 HB3 ASN A 1 0.274 21.831 -2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 1 0.656 25.930 -2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -0.055 25.318 -1.442 1.00 0.00 H new ATOM 14 N ASP A 2 -1.915 21.052 -3.752 1.00 0.00 N ATOM 15 CA ASP A 2 -2.336 20.554 -5.094 1.00 0.00 C ATOM 16 C ASP A 2 -3.864 20.524 -5.174 1.00 0.00 C ATOM 17 O ASP A 2 -4.538 20.186 -4.223 1.00 0.00 O ATOM 18 CB ASP A 2 -1.789 19.140 -5.307 1.00 0.00 C ATOM 19 CG ASP A 2 -0.264 19.190 -5.427 1.00 0.00 C ATOM 20 OD1 ASP A 2 0.270 20.286 -5.500 1.00 0.00 O ATOM 21 OD2 ASP A 2 0.344 18.132 -5.439 1.00 0.00 O ATOM 0 H ASP A 2 -1.476 20.355 -3.150 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.945 21.218 -5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.077 18.499 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.220 18.705 -6.208 1.00 0.00 H new ATOM 26 N ILE A 3 -4.416 20.876 -6.304 1.00 0.00 N ATOM 27 CA ILE A 3 -5.900 20.867 -6.437 1.00 0.00 C ATOM 28 C ILE A 3 -6.395 19.426 -6.589 1.00 0.00 C ATOM 29 O ILE A 3 -7.581 19.174 -6.677 1.00 0.00 O ATOM 30 CB ILE A 3 -6.317 21.675 -7.665 1.00 0.00 C ATOM 31 CG1 ILE A 3 -5.805 23.111 -7.523 1.00 0.00 C ATOM 32 CG2 ILE A 3 -7.844 21.679 -7.766 1.00 0.00 C ATOM 33 CD1 ILE A 3 -6.110 23.897 -8.799 1.00 0.00 C ATOM 0 H ILE A 3 -3.905 21.168 -7.137 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.339 21.313 -5.544 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.894 21.229 -8.565 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.277 23.592 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.731 23.107 -7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -8.149 22.254 -8.640 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.205 20.655 -7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.267 22.131 -6.869 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.744 24.918 -8.694 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.617 23.421 -9.646 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.187 23.913 -8.968 1.00 0.00 H new ATOM 45 N ARG A 4 -5.500 18.475 -6.617 1.00 0.00 N ATOM 46 CA ARG A 4 -5.933 17.056 -6.760 1.00 0.00 C ATOM 47 C ARG A 4 -6.384 16.537 -5.393 1.00 0.00 C ATOM 48 O ARG A 4 -6.704 15.376 -5.233 1.00 0.00 O ATOM 49 CB ARG A 4 -4.769 16.198 -7.273 1.00 0.00 C ATOM 50 CG ARG A 4 -4.249 16.754 -8.605 1.00 0.00 C ATOM 51 CD ARG A 4 -5.298 16.549 -9.704 1.00 0.00 C ATOM 52 NE ARG A 4 -4.703 16.888 -11.029 1.00 0.00 N ATOM 53 CZ ARG A 4 -5.380 16.673 -12.125 1.00 0.00 C ATOM 54 NH1 ARG A 4 -6.577 16.160 -12.059 1.00 0.00 N ATOM 55 NH2 ARG A 4 -4.857 16.967 -13.282 1.00 0.00 N ATOM 0 H ARG A 4 -4.493 18.619 -6.547 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.755 16.998 -7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.965 16.185 -6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.098 15.167 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.021 17.815 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.320 16.254 -8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.644 15.515 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.168 17.177 -9.513 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.766 17.288 -11.079 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.983 15.927 -11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.107 15.991 -12.914 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.919 17.365 -13.331 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.386 16.799 -14.138 1.00 0.00 H new ATOM 69 N THR A 5 -6.407 17.389 -4.408 1.00 0.00 N ATOM 70 CA THR A 5 -6.831 16.954 -3.050 1.00 0.00 C ATOM 71 C THR A 5 -8.361 16.925 -2.974 1.00 0.00 C ATOM 72 O THR A 5 -8.937 16.594 -1.955 1.00 0.00 O ATOM 73 CB THR A 5 -6.298 17.949 -2.019 1.00 0.00 C ATOM 74 OG1 THR A 5 -6.256 17.327 -0.740 1.00 0.00 O ATOM 75 CG2 THR A 5 -7.221 19.169 -1.968 1.00 0.00 C ATOM 0 H THR A 5 -6.149 18.373 -4.486 1.00 0.00 H new ATOM 0 HA THR A 5 -6.438 15.958 -2.847 1.00 0.00 H new ATOM 0 HB THR A 5 -5.294 18.266 -2.300 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.083 16.822 -0.595 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.843 19.880 -1.234 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.252 19.643 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.225 18.854 -1.685 1.00 0.00 H new ATOM 83 N ALA A 6 -9.024 17.266 -4.044 1.00 0.00 N ATOM 84 CA ALA A 6 -10.514 17.258 -4.033 1.00 0.00 C ATOM 85 C ALA A 6 -11.015 15.822 -3.875 1.00 0.00 C ATOM 86 O ALA A 6 -12.096 15.583 -3.377 1.00 0.00 O ATOM 87 CB ALA A 6 -11.038 17.836 -5.348 1.00 0.00 C ATOM 0 H ALA A 6 -8.598 17.550 -4.926 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.873 17.863 -3.201 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.128 17.830 -5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.682 18.860 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.678 17.231 -6.180 1.00 0.00 H new ATOM 93 N ALA A 7 -10.234 14.864 -4.295 1.00 0.00 N ATOM 94 CA ALA A 7 -10.664 13.444 -4.166 1.00 0.00 C ATOM 95 C ALA A 7 -10.765 13.073 -2.682 1.00 0.00 C ATOM 96 O ALA A 7 -10.021 13.568 -1.857 1.00 0.00 O ATOM 97 CB ALA A 7 -9.638 12.539 -4.855 1.00 0.00 C ATOM 0 H ALA A 7 -9.318 15.004 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.638 13.312 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.950 11.499 -4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.569 12.804 -5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.664 12.669 -4.384 1.00 0.00 H new ATOM 103 N ASP A 8 -11.675 12.203 -2.336 1.00 0.00 N ATOM 104 CA ASP A 8 -11.817 11.796 -0.908 1.00 0.00 C ATOM 105 C ASP A 8 -10.900 10.605 -0.649 1.00 0.00 C ATOM 106 O ASP A 8 -10.946 9.976 0.389 1.00 0.00 O ATOM 107 CB ASP A 8 -13.266 11.394 -0.631 1.00 0.00 C ATOM 108 CG ASP A 8 -14.170 12.621 -0.767 1.00 0.00 C ATOM 109 OD1 ASP A 8 -13.641 13.718 -0.827 1.00 0.00 O ATOM 110 OD2 ASP A 8 -15.377 12.441 -0.807 1.00 0.00 O ATOM 0 H ASP A 8 -12.327 11.756 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.547 12.626 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.580 10.619 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.353 10.974 0.371 1.00 0.00 H new ATOM 115 N MET A 9 -10.073 10.290 -1.605 1.00 0.00 N ATOM 116 CA MET A 9 -9.148 9.136 -1.453 1.00 0.00 C ATOM 117 C MET A 9 -7.939 9.553 -0.621 1.00 0.00 C ATOM 118 O MET A 9 -6.914 8.899 -0.621 1.00 0.00 O ATOM 119 CB MET A 9 -8.686 8.681 -2.835 1.00 0.00 C ATOM 120 CG MET A 9 -9.804 7.887 -3.510 1.00 0.00 C ATOM 121 SD MET A 9 -9.381 6.128 -3.495 1.00 0.00 S ATOM 122 CE MET A 9 -9.332 5.930 -1.696 1.00 0.00 C ATOM 0 H MET A 9 -9.998 10.787 -2.492 1.00 0.00 H new ATOM 0 HA MET A 9 -9.663 8.318 -0.950 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.420 9.545 -3.444 1.00 0.00 H new ATOM 0 HB3 MET A 9 -7.791 8.066 -2.747 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.747 8.050 -2.989 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.942 8.231 -4.535 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.261 4.871 -1.448 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.465 6.456 -1.296 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.241 6.344 -1.259 1.00 0.00 H new ATOM 132 N GLU A 10 -8.052 10.634 0.086 1.00 0.00 N ATOM 133 CA GLU A 10 -6.918 11.098 0.921 1.00 0.00 C ATOM 134 C GLU A 10 -6.666 10.079 2.032 1.00 0.00 C ATOM 135 O GLU A 10 -5.622 10.065 2.655 1.00 0.00 O ATOM 136 CB GLU A 10 -7.271 12.455 1.525 1.00 0.00 C ATOM 137 CG GLU A 10 -6.065 13.014 2.274 1.00 0.00 C ATOM 138 CD GLU A 10 -4.955 13.347 1.274 1.00 0.00 C ATOM 139 OE1 GLU A 10 -5.277 13.608 0.128 1.00 0.00 O ATOM 140 OE2 GLU A 10 -3.803 13.332 1.674 1.00 0.00 O ATOM 0 H GLU A 10 -8.886 11.221 0.122 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.017 11.196 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.575 13.146 0.739 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.117 12.353 2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.350 13.908 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.707 12.287 3.003 1.00 0.00 H new ATOM 147 N HIS A 11 -7.618 9.223 2.285 1.00 0.00 N ATOM 148 CA HIS A 11 -7.435 8.208 3.353 1.00 0.00 C ATOM 149 C HIS A 11 -7.047 6.873 2.719 1.00 0.00 C ATOM 150 O HIS A 11 -7.789 6.299 1.948 1.00 0.00 O ATOM 151 CB HIS A 11 -8.743 8.041 4.127 1.00 0.00 C ATOM 152 CG HIS A 11 -9.131 9.355 4.748 1.00 0.00 C ATOM 153 ND1 HIS A 11 -10.029 10.222 4.141 1.00 0.00 N ATOM 154 CD2 HIS A 11 -8.751 9.967 5.917 1.00 0.00 C ATOM 155 CE1 HIS A 11 -10.159 11.297 4.939 1.00 0.00 C ATOM 156 NE2 HIS A 11 -9.403 11.191 6.032 1.00 0.00 N ATOM 0 H HIS A 11 -8.513 9.185 1.797 1.00 0.00 H new ATOM 0 HA HIS A 11 -6.649 8.533 4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.532 7.696 3.459 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.626 7.282 4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -8.054 9.561 6.636 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -10.797 12.141 4.721 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -9.320 11.865 6.793 1.00 0.00 H new ATOM 165 N CYS A 12 -5.890 6.375 3.052 1.00 0.00 N ATOM 166 CA CYS A 12 -5.445 5.075 2.483 1.00 0.00 C ATOM 167 C CYS A 12 -5.494 4.019 3.586 1.00 0.00 C ATOM 168 O CYS A 12 -5.266 4.307 4.744 1.00 0.00 O ATOM 169 CB CYS A 12 -4.011 5.216 1.969 1.00 0.00 C ATOM 170 SG CYS A 12 -3.940 6.542 0.740 1.00 0.00 S ATOM 0 H CYS A 12 -5.232 6.814 3.696 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.095 4.780 1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.336 5.436 2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.678 4.277 1.527 1.00 0.00 H new ATOM 175 N ALA A 13 -5.790 2.798 3.243 1.00 0.00 N ATOM 176 CA ALA A 13 -5.849 1.733 4.282 1.00 0.00 C ATOM 177 C ALA A 13 -5.171 0.473 3.754 1.00 0.00 C ATOM 178 O ALA A 13 -5.135 0.230 2.564 1.00 0.00 O ATOM 179 CB ALA A 13 -7.305 1.427 4.628 1.00 0.00 C ATOM 0 H ALA A 13 -5.993 2.491 2.292 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.334 2.075 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.342 0.647 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.786 2.328 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.828 1.087 3.734 1.00 0.00 H new ATOM 185 N ASP A 14 -4.645 -0.341 4.624 1.00 0.00 N ATOM 186 CA ASP A 14 -3.987 -1.587 4.158 1.00 0.00 C ATOM 187 C ASP A 14 -5.062 -2.600 3.774 1.00 0.00 C ATOM 188 O ASP A 14 -6.096 -2.692 4.406 1.00 0.00 O ATOM 189 CB ASP A 14 -3.099 -2.153 5.269 1.00 0.00 C ATOM 190 CG ASP A 14 -3.945 -2.464 6.505 1.00 0.00 C ATOM 191 OD1 ASP A 14 -5.157 -2.488 6.382 1.00 0.00 O ATOM 192 OD2 ASP A 14 -3.363 -2.673 7.557 1.00 0.00 O ATOM 0 H ASP A 14 -4.643 -0.197 5.634 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.362 -1.374 3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.600 -3.058 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.318 -1.436 5.523 1.00 0.00 H new ATOM 197 N GLU A 15 -4.839 -3.347 2.735 1.00 0.00 N ATOM 198 CA GLU A 15 -5.862 -4.340 2.306 1.00 0.00 C ATOM 199 C GLU A 15 -6.044 -5.400 3.390 1.00 0.00 C ATOM 200 O GLU A 15 -5.093 -5.876 3.980 1.00 0.00 O ATOM 201 CB GLU A 15 -5.413 -5.003 1.005 1.00 0.00 C ATOM 202 CG GLU A 15 -6.177 -4.387 -0.167 1.00 0.00 C ATOM 203 CD GLU A 15 -6.187 -2.861 -0.035 1.00 0.00 C ATOM 204 OE1 GLU A 15 -5.326 -2.339 0.655 1.00 0.00 O ATOM 205 OE2 GLU A 15 -7.060 -2.241 -0.618 1.00 0.00 O ATOM 0 H GLU A 15 -3.995 -3.315 2.163 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.812 -3.831 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.340 -4.868 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.596 -6.077 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.711 -4.677 -1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.199 -4.766 -0.187 1.00 0.00 H new ATOM 212 N LYS A 16 -7.264 -5.772 3.657 1.00 0.00 N ATOM 213 CA LYS A 16 -7.524 -6.801 4.700 1.00 0.00 C ATOM 214 C LYS A 16 -7.373 -8.196 4.095 1.00 0.00 C ATOM 215 O LYS A 16 -7.002 -9.137 4.765 1.00 0.00 O ATOM 216 CB LYS A 16 -8.947 -6.628 5.226 1.00 0.00 C ATOM 217 CG LYS A 16 -9.943 -6.900 4.096 1.00 0.00 C ATOM 218 CD LYS A 16 -11.359 -6.615 4.592 1.00 0.00 C ATOM 219 CE LYS A 16 -12.375 -7.175 3.593 1.00 0.00 C ATOM 220 NZ LYS A 16 -12.177 -8.644 3.450 1.00 0.00 N ATOM 0 H LYS A 16 -8.096 -5.405 3.195 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.810 -6.684 5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.126 -7.312 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.084 -5.617 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.714 -6.272 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.862 -7.936 3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.510 -7.068 5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.504 -5.541 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.389 -6.966 3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.257 -6.686 2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.785 -9.004 2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.182 -8.839 3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.426 -9.116 4.342 1.00 0.00 H new ATOM 234 N ASN A 17 -7.668 -8.338 2.831 1.00 0.00 N ATOM 235 CA ASN A 17 -7.552 -9.676 2.185 1.00 0.00 C ATOM 236 C ASN A 17 -6.105 -9.925 1.759 1.00 0.00 C ATOM 237 O ASN A 17 -5.760 -10.998 1.305 1.00 0.00 O ATOM 238 CB ASN A 17 -8.469 -9.710 0.962 1.00 0.00 C ATOM 239 CG ASN A 17 -9.903 -9.439 1.413 1.00 0.00 C ATOM 240 OD1 ASN A 17 -10.430 -10.137 2.258 1.00 0.00 O ATOM 241 ND2 ASN A 17 -10.558 -8.436 0.896 1.00 0.00 N ATOM 0 H ASN A 17 -7.984 -7.586 2.219 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.846 -10.454 2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.155 -8.962 0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.405 -10.680 0.470 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.511 -8.238 1.201 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.117 -7.850 0.187 1.00 0.00 H new ATOM 248 N PHE A 18 -5.257 -8.947 1.912 1.00 0.00 N ATOM 249 CA PHE A 18 -3.829 -9.134 1.528 1.00 0.00 C ATOM 250 C PHE A 18 -2.965 -9.117 2.789 1.00 0.00 C ATOM 251 O PHE A 18 -3.097 -8.251 3.630 1.00 0.00 O ATOM 252 CB PHE A 18 -3.393 -8.005 0.594 1.00 0.00 C ATOM 253 CG PHE A 18 -1.987 -8.261 0.108 1.00 0.00 C ATOM 254 CD1 PHE A 18 -0.892 -7.781 0.841 1.00 0.00 C ATOM 255 CD2 PHE A 18 -1.776 -8.969 -1.080 1.00 0.00 C ATOM 256 CE1 PHE A 18 0.410 -8.010 0.384 1.00 0.00 C ATOM 257 CE2 PHE A 18 -0.473 -9.200 -1.537 1.00 0.00 C ATOM 258 CZ PHE A 18 0.621 -8.720 -0.804 1.00 0.00 C ATOM 0 H PHE A 18 -5.490 -8.027 2.286 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.712 -10.088 1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.075 -7.938 -0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.439 -7.050 1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.054 -7.235 1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.619 -9.338 -1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.253 -7.639 0.948 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.311 -9.748 -2.454 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.627 -8.898 -1.156 1.00 0.00 H new ATOM 268 N ASP A 19 -2.086 -10.066 2.927 1.00 0.00 N ATOM 269 CA ASP A 19 -1.216 -10.109 4.134 1.00 0.00 C ATOM 270 C ASP A 19 -0.047 -9.134 3.955 1.00 0.00 C ATOM 271 O ASP A 19 1.008 -9.495 3.472 1.00 0.00 O ATOM 272 CB ASP A 19 -0.681 -11.530 4.324 1.00 0.00 C ATOM 273 CG ASP A 19 -1.852 -12.482 4.596 1.00 0.00 C ATOM 274 OD1 ASP A 19 -2.928 -11.996 4.903 1.00 0.00 O ATOM 275 OD2 ASP A 19 -1.649 -13.682 4.493 1.00 0.00 O ATOM 0 H ASP A 19 -1.931 -10.817 2.254 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.793 -9.821 5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.138 -11.848 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 19 0.025 -11.557 5.154 1.00 0.00 H new ATOM 280 N CYS A 20 -0.231 -7.898 4.330 1.00 0.00 N ATOM 281 CA CYS A 20 0.863 -6.894 4.177 1.00 0.00 C ATOM 282 C CYS A 20 1.983 -7.199 5.173 1.00 0.00 C ATOM 283 O CYS A 20 3.152 -7.059 4.874 1.00 0.00 O ATOM 284 CB CYS A 20 0.300 -5.501 4.457 1.00 0.00 C ATOM 285 SG CYS A 20 -1.257 -5.304 3.557 1.00 0.00 S ATOM 0 H CYS A 20 -1.094 -7.538 4.737 1.00 0.00 H new ATOM 0 HA CYS A 20 1.262 -6.937 3.164 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.136 -5.369 5.526 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.013 -4.737 4.147 1.00 0.00 H new ATOM 290 N ARG A 21 1.630 -7.617 6.353 1.00 0.00 N ATOM 291 CA ARG A 21 2.661 -7.940 7.374 1.00 0.00 C ATOM 292 C ARG A 21 3.623 -8.966 6.781 1.00 0.00 C ATOM 293 O ARG A 21 4.825 -8.874 6.928 1.00 0.00 O ATOM 294 CB ARG A 21 1.960 -8.532 8.599 1.00 0.00 C ATOM 295 CG ARG A 21 2.872 -8.453 9.827 1.00 0.00 C ATOM 296 CD ARG A 21 3.923 -9.564 9.771 1.00 0.00 C ATOM 297 NE ARG A 21 4.603 -9.664 11.092 1.00 0.00 N ATOM 298 CZ ARG A 21 4.058 -10.345 12.062 1.00 0.00 C ATOM 299 NH1 ARG A 21 2.900 -10.922 11.887 1.00 0.00 N ATOM 300 NH2 ARG A 21 4.665 -10.438 13.214 1.00 0.00 N ATOM 0 H ARG A 21 0.665 -7.750 6.656 1.00 0.00 H new ATOM 0 HA ARG A 21 3.214 -7.047 7.666 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.033 -7.992 8.791 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.690 -9.570 8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.361 -7.480 9.865 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.279 -8.547 10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.452 -10.514 9.519 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.652 -9.352 8.989 1.00 0.00 H new ATOM 0 HE ARG A 21 5.498 -9.198 11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.420 -10.841 10.991 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.475 -11.454 12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.565 -9.978 13.355 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.240 -10.970 13.973 1.00 0.00 H new ATOM 314 N ARG A 22 3.094 -9.934 6.093 1.00 0.00 N ATOM 315 CA ARG A 22 3.960 -10.964 5.470 1.00 0.00 C ATOM 316 C ARG A 22 4.748 -10.342 4.321 1.00 0.00 C ATOM 317 O ARG A 22 5.944 -10.517 4.203 1.00 0.00 O ATOM 318 CB ARG A 22 3.082 -12.089 4.931 1.00 0.00 C ATOM 319 CG ARG A 22 3.790 -12.754 3.756 1.00 0.00 C ATOM 320 CD ARG A 22 3.154 -14.114 3.475 1.00 0.00 C ATOM 321 NE ARG A 22 3.792 -14.722 2.273 1.00 0.00 N ATOM 322 CZ ARG A 22 4.994 -15.222 2.354 1.00 0.00 C ATOM 323 NH1 ARG A 22 5.658 -15.153 3.476 1.00 0.00 N ATOM 324 NH2 ARG A 22 5.537 -15.788 1.310 1.00 0.00 N ATOM 0 H ARG A 22 2.094 -10.056 5.935 1.00 0.00 H new ATOM 0 HA ARG A 22 4.655 -11.358 6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.885 -12.821 5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.117 -11.694 4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.722 -12.120 2.872 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.850 -12.876 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.278 -14.770 4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.082 -14.000 3.312 1.00 0.00 H new ATOM 0 HE ARG A 22 3.288 -14.747 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.237 -14.708 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.598 -15.545 3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.021 -15.839 0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.477 -16.179 1.373 1.00 0.00 H new ATOM 338 N SER A 23 4.083 -9.617 3.473 1.00 0.00 N ATOM 339 CA SER A 23 4.784 -8.977 2.329 1.00 0.00 C ATOM 340 C SER A 23 5.763 -7.919 2.859 1.00 0.00 C ATOM 341 O SER A 23 6.817 -7.699 2.300 1.00 0.00 O ATOM 342 CB SER A 23 3.745 -8.325 1.415 1.00 0.00 C ATOM 343 OG SER A 23 3.173 -7.206 2.080 1.00 0.00 O ATOM 0 H SER A 23 3.080 -9.438 3.522 1.00 0.00 H new ATOM 0 HA SER A 23 5.344 -9.723 1.765 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.211 -8.009 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.969 -9.045 1.156 1.00 0.00 H new ATOM 0 HG SER A 23 3.196 -7.354 3.048 1.00 0.00 H new ATOM 349 N LEU A 24 5.412 -7.260 3.936 1.00 0.00 N ATOM 350 CA LEU A 24 6.311 -6.211 4.511 1.00 0.00 C ATOM 351 C LEU A 24 7.588 -6.850 5.057 1.00 0.00 C ATOM 352 O LEU A 24 8.684 -6.421 4.756 1.00 0.00 O ATOM 353 CB LEU A 24 5.584 -5.494 5.656 1.00 0.00 C ATOM 354 CG LEU A 24 6.498 -4.421 6.260 1.00 0.00 C ATOM 355 CD1 LEU A 24 6.563 -3.213 5.326 1.00 0.00 C ATOM 356 CD2 LEU A 24 5.950 -3.980 7.621 1.00 0.00 C ATOM 0 H LEU A 24 4.539 -7.404 4.443 1.00 0.00 H new ATOM 0 HA LEU A 24 6.572 -5.500 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.666 -5.037 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.296 -6.213 6.423 1.00 0.00 H new ATOM 0 HG LEU A 24 7.498 -4.836 6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.213 -2.453 5.759 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.960 -3.522 4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.562 -2.801 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.603 -3.218 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.948 -3.570 7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.909 -4.838 8.292 1.00 0.00 H new ATOM 368 N ARG A 25 7.460 -7.869 5.864 1.00 0.00 N ATOM 369 CA ARG A 25 8.673 -8.522 6.427 1.00 0.00 C ATOM 370 C ARG A 25 9.450 -9.188 5.294 1.00 0.00 C ATOM 371 O ARG A 25 10.644 -9.396 5.378 1.00 0.00 O ATOM 372 CB ARG A 25 8.270 -9.569 7.475 1.00 0.00 C ATOM 373 CG ARG A 25 7.464 -10.681 6.802 1.00 0.00 C ATOM 374 CD ARG A 25 6.892 -11.628 7.861 1.00 0.00 C ATOM 375 NE ARG A 25 6.211 -12.770 7.185 1.00 0.00 N ATOM 376 CZ ARG A 25 6.904 -13.605 6.458 1.00 0.00 C ATOM 377 NH1 ARG A 25 8.198 -13.469 6.372 1.00 0.00 N ATOM 378 NH2 ARG A 25 6.307 -14.577 5.824 1.00 0.00 N ATOM 0 H ARG A 25 6.571 -8.275 6.156 1.00 0.00 H new ATOM 0 HA ARG A 25 9.300 -7.773 6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.159 -9.985 7.949 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.678 -9.102 8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.655 -10.249 6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.100 -11.236 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.690 -11.996 8.506 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.187 -11.095 8.499 1.00 0.00 H new ATOM 0 HE ARG A 25 5.205 -12.899 7.290 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.666 -12.713 6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.743 -14.119 5.805 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.295 -14.687 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.852 -15.227 5.257 1.00 0.00 H new ATOM 392 N ASN A 26 8.775 -9.523 4.231 1.00 0.00 N ATOM 393 CA ASN A 26 9.461 -10.176 3.081 1.00 0.00 C ATOM 394 C ASN A 26 10.207 -9.125 2.257 1.00 0.00 C ATOM 395 O ASN A 26 10.878 -9.442 1.296 1.00 0.00 O ATOM 396 CB ASN A 26 8.414 -10.852 2.196 1.00 0.00 C ATOM 397 CG ASN A 26 7.809 -12.042 2.938 1.00 0.00 C ATOM 398 OD1 ASN A 26 8.428 -12.596 3.824 1.00 0.00 O ATOM 399 ND2 ASN A 26 6.617 -12.459 2.615 1.00 0.00 N ATOM 0 H ASN A 26 7.774 -9.372 4.108 1.00 0.00 H new ATOM 0 HA ASN A 26 10.171 -10.914 3.454 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.632 -10.140 1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.871 -11.185 1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.203 -13.251 3.107 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.098 -11.993 1.871 1.00 0.00 H new ATOM 406 N GLY A 27 10.095 -7.879 2.621 1.00 0.00 N ATOM 407 CA GLY A 27 10.798 -6.813 1.850 1.00 0.00 C ATOM 408 C GLY A 27 9.959 -6.437 0.629 1.00 0.00 C ATOM 409 O GLY A 27 10.456 -5.901 -0.340 1.00 0.00 O ATOM 0 H GLY A 27 9.548 -7.551 3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.957 -5.938 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.781 -7.163 1.536 1.00 0.00 H new ATOM 413 N ASP A 28 8.686 -6.719 0.670 1.00 0.00 N ATOM 414 CA ASP A 28 7.808 -6.382 -0.485 1.00 0.00 C ATOM 415 C ASP A 28 7.837 -4.871 -0.729 1.00 0.00 C ATOM 416 O ASP A 28 7.879 -4.416 -1.854 1.00 0.00 O ATOM 417 CB ASP A 28 6.380 -6.837 -0.180 1.00 0.00 C ATOM 418 CG ASP A 28 5.496 -6.591 -1.400 1.00 0.00 C ATOM 419 OD1 ASP A 28 5.596 -5.519 -1.971 1.00 0.00 O ATOM 420 OD2 ASP A 28 4.726 -7.476 -1.741 1.00 0.00 O ATOM 0 H ASP A 28 8.215 -7.169 1.455 1.00 0.00 H new ATOM 0 HA ASP A 28 8.165 -6.891 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.372 -7.895 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.990 -6.294 0.681 1.00 0.00 H new ATOM 425 N CYS A 29 7.835 -4.091 0.316 1.00 0.00 N ATOM 426 CA CYS A 29 7.882 -2.610 0.138 1.00 0.00 C ATOM 427 C CYS A 29 9.227 -2.240 -0.493 1.00 0.00 C ATOM 428 O CYS A 29 9.395 -1.175 -1.053 1.00 0.00 O ATOM 429 CB CYS A 29 7.764 -1.924 1.502 1.00 0.00 C ATOM 430 SG CYS A 29 6.313 -2.556 2.384 1.00 0.00 S ATOM 0 H CYS A 29 7.803 -4.412 1.284 1.00 0.00 H new ATOM 0 HA CYS A 29 7.060 -2.287 -0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.665 -2.104 2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.680 -0.845 1.371 1.00 0.00 H new ATOM 435 N ASP A 30 10.190 -3.118 -0.394 1.00 0.00 N ATOM 436 CA ASP A 30 11.534 -2.831 -0.971 1.00 0.00 C ATOM 437 C ASP A 30 11.671 -3.489 -2.346 1.00 0.00 C ATOM 438 O ASP A 30 12.672 -3.334 -3.018 1.00 0.00 O ATOM 439 CB ASP A 30 12.611 -3.383 -0.036 1.00 0.00 C ATOM 440 CG ASP A 30 12.614 -2.582 1.267 1.00 0.00 C ATOM 441 OD1 ASP A 30 12.039 -1.506 1.278 1.00 0.00 O ATOM 442 OD2 ASP A 30 13.192 -3.057 2.230 1.00 0.00 O ATOM 0 H ASP A 30 10.102 -4.025 0.064 1.00 0.00 H new ATOM 0 HA ASP A 30 11.652 -1.753 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.422 -4.436 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.589 -3.323 -0.514 1.00 0.00 H new ATOM 447 N ASN A 31 10.678 -4.217 -2.773 1.00 0.00 N ATOM 448 CA ASN A 31 10.760 -4.875 -4.104 1.00 0.00 C ATOM 449 C ASN A 31 10.081 -3.980 -5.140 1.00 0.00 C ATOM 450 O ASN A 31 8.895 -3.736 -5.079 1.00 0.00 O ATOM 451 CB ASN A 31 10.043 -6.222 -4.045 1.00 0.00 C ATOM 452 CG ASN A 31 10.371 -7.030 -5.299 1.00 0.00 C ATOM 453 OD1 ASN A 31 11.014 -6.538 -6.205 1.00 0.00 O ATOM 454 ND2 ASN A 31 9.953 -8.262 -5.388 1.00 0.00 N ATOM 0 H ASN A 31 9.814 -4.384 -2.257 1.00 0.00 H new ATOM 0 HA ASN A 31 11.803 -5.032 -4.379 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.351 -6.771 -3.155 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.966 -6.070 -3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.166 -8.814 -6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.413 -8.674 -4.627 1.00 0.00 H new ATOM 461 N ASP A 32 10.828 -3.482 -6.084 1.00 0.00 N ATOM 462 CA ASP A 32 10.228 -2.595 -7.121 1.00 0.00 C ATOM 463 C ASP A 32 9.113 -3.342 -7.849 1.00 0.00 C ATOM 464 O ASP A 32 8.145 -2.759 -8.297 1.00 0.00 O ATOM 465 CB ASP A 32 11.307 -2.177 -8.119 1.00 0.00 C ATOM 466 CG ASP A 32 12.309 -1.257 -7.420 1.00 0.00 C ATOM 467 OD1 ASP A 32 12.054 -0.893 -6.284 1.00 0.00 O ATOM 468 OD2 ASP A 32 13.312 -0.933 -8.031 1.00 0.00 O ATOM 0 H ASP A 32 11.829 -3.650 -6.183 1.00 0.00 H new ATOM 0 HA ASP A 32 9.813 -1.706 -6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.816 -3.057 -8.512 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.855 -1.664 -8.968 1.00 0.00 H new ATOM 473 N ASP A 33 9.250 -4.628 -7.978 1.00 0.00 N ATOM 474 CA ASP A 33 8.214 -5.424 -8.679 1.00 0.00 C ATOM 475 C ASP A 33 6.936 -5.494 -7.838 1.00 0.00 C ATOM 476 O ASP A 33 5.862 -5.732 -8.353 1.00 0.00 O ATOM 477 CB ASP A 33 8.762 -6.827 -8.911 1.00 0.00 C ATOM 478 CG ASP A 33 9.837 -6.772 -9.997 1.00 0.00 C ATOM 479 OD1 ASP A 33 9.973 -5.730 -10.617 1.00 0.00 O ATOM 480 OD2 ASP A 33 10.510 -7.771 -10.190 1.00 0.00 O ATOM 0 H ASP A 33 10.042 -5.165 -7.625 1.00 0.00 H new ATOM 0 HA ASP A 33 7.969 -4.954 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.181 -7.224 -7.987 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.958 -7.499 -9.211 1.00 0.00 H new ATOM 485 N LYS A 34 7.038 -5.299 -6.550 1.00 0.00 N ATOM 486 CA LYS A 34 5.819 -5.368 -5.693 1.00 0.00 C ATOM 487 C LYS A 34 5.479 -3.976 -5.173 1.00 0.00 C ATOM 488 O LYS A 34 4.531 -3.796 -4.434 1.00 0.00 O ATOM 489 CB LYS A 34 6.079 -6.289 -4.503 1.00 0.00 C ATOM 490 CG LYS A 34 6.701 -7.597 -4.991 1.00 0.00 C ATOM 491 CD LYS A 34 6.681 -8.622 -3.853 1.00 0.00 C ATOM 492 CE LYS A 34 7.316 -9.928 -4.329 1.00 0.00 C ATOM 493 NZ LYS A 34 6.426 -11.072 -3.977 1.00 0.00 N ATOM 0 H LYS A 34 7.907 -5.096 -6.057 1.00 0.00 H new ATOM 0 HA LYS A 34 4.990 -5.755 -6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.746 -5.801 -3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.146 -6.492 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.148 -7.978 -5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.725 -7.425 -5.323 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.224 -8.234 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.656 -8.801 -3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.475 -9.896 -5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.294 -10.059 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.858 -11.961 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.296 -11.106 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.502 -10.948 -4.439 1.00 0.00 H new ATOM 507 N LEU A 35 6.241 -2.989 -5.547 1.00 0.00 N ATOM 508 CA LEU A 35 5.948 -1.614 -5.067 1.00 0.00 C ATOM 509 C LEU A 35 4.535 -1.225 -5.498 1.00 0.00 C ATOM 510 O LEU A 35 3.776 -0.661 -4.733 1.00 0.00 O ATOM 511 CB LEU A 35 6.968 -0.639 -5.661 1.00 0.00 C ATOM 512 CG LEU A 35 8.216 -0.573 -4.772 1.00 0.00 C ATOM 513 CD1 LEU A 35 9.238 0.374 -5.402 1.00 0.00 C ATOM 514 CD2 LEU A 35 7.833 -0.047 -3.387 1.00 0.00 C ATOM 0 H LEU A 35 7.050 -3.075 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 35 6.015 -1.577 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.245 -0.958 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.524 0.352 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 35 8.645 -1.571 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.126 0.422 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.514 0.006 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.803 1.369 -5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.721 -0.001 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.404 0.950 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.101 -0.715 -2.934 1.00 0.00 H new ATOM 526 N LEU A 36 4.167 -1.535 -6.712 1.00 0.00 N ATOM 527 CA LEU A 36 2.796 -1.199 -7.181 1.00 0.00 C ATOM 528 C LEU A 36 1.787 -2.006 -6.368 1.00 0.00 C ATOM 529 O LEU A 36 0.747 -1.513 -5.984 1.00 0.00 O ATOM 530 CB LEU A 36 2.651 -1.553 -8.666 1.00 0.00 C ATOM 531 CG LEU A 36 1.282 -1.091 -9.172 1.00 0.00 C ATOM 532 CD1 LEU A 36 1.406 -0.606 -10.616 1.00 0.00 C ATOM 533 CD2 LEU A 36 0.294 -2.259 -9.120 1.00 0.00 C ATOM 0 H LEU A 36 4.758 -2.006 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 36 2.616 -0.132 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.443 -1.076 -9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.758 -2.629 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 36 0.923 -0.278 -8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.430 -0.278 -10.975 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.108 0.226 -10.661 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.768 -1.420 -11.244 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.680 -1.928 -9.481 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.657 -3.071 -9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.200 -2.611 -8.093 1.00 0.00 H new ATOM 545 N GLU A 37 2.091 -3.249 -6.106 1.00 0.00 N ATOM 546 CA GLU A 37 1.151 -4.093 -5.321 1.00 0.00 C ATOM 547 C GLU A 37 0.962 -3.475 -3.937 1.00 0.00 C ATOM 548 O GLU A 37 -0.130 -3.424 -3.411 1.00 0.00 O ATOM 549 CB GLU A 37 1.742 -5.495 -5.171 1.00 0.00 C ATOM 550 CG GLU A 37 1.986 -6.099 -6.555 1.00 0.00 C ATOM 551 CD GLU A 37 2.436 -7.557 -6.408 1.00 0.00 C ATOM 552 OE1 GLU A 37 2.562 -8.008 -5.282 1.00 0.00 O ATOM 553 OE2 GLU A 37 2.649 -8.195 -7.427 1.00 0.00 O ATOM 0 H GLU A 37 2.949 -3.714 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 37 0.190 -4.152 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.677 -5.449 -4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.062 -6.128 -4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.075 -6.047 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.746 -5.525 -7.085 1.00 0.00 H new ATOM 560 N MET A 38 2.020 -3.001 -3.347 1.00 0.00 N ATOM 561 CA MET A 38 1.914 -2.385 -1.995 1.00 0.00 C ATOM 562 C MET A 38 1.123 -1.080 -2.071 1.00 0.00 C ATOM 563 O MET A 38 0.225 -0.842 -1.290 1.00 0.00 O ATOM 564 CB MET A 38 3.319 -2.092 -1.485 1.00 0.00 C ATOM 565 CG MET A 38 4.035 -3.408 -1.185 1.00 0.00 C ATOM 566 SD MET A 38 3.212 -4.239 0.198 1.00 0.00 S ATOM 567 CE MET A 38 2.286 -5.452 -0.776 1.00 0.00 C ATOM 0 H MET A 38 2.960 -3.013 -3.744 1.00 0.00 H new ATOM 0 HA MET A 38 1.399 -3.070 -1.321 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.877 -1.523 -2.229 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.271 -1.478 -0.585 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.025 -4.049 -2.066 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.080 -3.219 -0.940 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.233 -5.415 -0.497 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.389 -5.222 -1.837 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.678 -6.450 -0.581 1.00 0.00 H new ATOM 577 N GLY A 39 1.440 -0.235 -3.010 1.00 0.00 N ATOM 578 CA GLY A 39 0.696 1.047 -3.136 1.00 0.00 C ATOM 579 C GLY A 39 -0.778 0.734 -3.349 1.00 0.00 C ATOM 580 O GLY A 39 -1.649 1.511 -3.016 1.00 0.00 O ATOM 0 H GLY A 39 2.182 -0.377 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.829 1.651 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.084 1.629 -3.972 1.00 0.00 H new ATOM 584 N TYR A 40 -1.053 -0.406 -3.911 1.00 0.00 N ATOM 585 CA TYR A 40 -2.458 -0.801 -4.168 1.00 0.00 C ATOM 586 C TYR A 40 -2.982 -1.664 -3.019 1.00 0.00 C ATOM 587 O TYR A 40 -4.024 -1.399 -2.452 1.00 0.00 O ATOM 588 CB TYR A 40 -2.503 -1.606 -5.462 1.00 0.00 C ATOM 589 CG TYR A 40 -3.885 -2.171 -5.649 1.00 0.00 C ATOM 590 CD1 TYR A 40 -4.227 -3.380 -5.036 1.00 0.00 C ATOM 591 CD2 TYR A 40 -4.821 -1.493 -6.433 1.00 0.00 C ATOM 592 CE1 TYR A 40 -5.507 -3.914 -5.205 1.00 0.00 C ATOM 593 CE2 TYR A 40 -6.104 -2.027 -6.602 1.00 0.00 C ATOM 594 CZ TYR A 40 -6.446 -3.237 -5.989 1.00 0.00 C ATOM 595 OH TYR A 40 -7.708 -3.765 -6.156 1.00 0.00 O ATOM 0 H TYR A 40 -0.354 -1.088 -4.206 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.080 0.090 -4.250 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.240 -0.971 -6.308 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.770 -2.412 -5.428 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.501 -3.902 -4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.556 -0.560 -6.907 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.771 -4.848 -4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -6.831 -1.504 -7.206 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.238 -3.171 -6.728 1.00 0.00 H new ATOM 605 N TYR A 41 -2.276 -2.709 -2.689 1.00 0.00 N ATOM 606 CA TYR A 41 -2.734 -3.605 -1.595 1.00 0.00 C ATOM 607 C TYR A 41 -2.405 -3.008 -0.226 1.00 0.00 C ATOM 608 O TYR A 41 -3.227 -3.004 0.664 1.00 0.00 O ATOM 609 CB TYR A 41 -2.052 -4.970 -1.736 1.00 0.00 C ATOM 610 CG TYR A 41 -2.653 -5.713 -2.907 1.00 0.00 C ATOM 611 CD1 TYR A 41 -3.894 -6.343 -2.766 1.00 0.00 C ATOM 612 CD2 TYR A 41 -1.975 -5.769 -4.133 1.00 0.00 C ATOM 613 CE1 TYR A 41 -4.461 -7.029 -3.847 1.00 0.00 C ATOM 614 CE2 TYR A 41 -2.543 -6.457 -5.214 1.00 0.00 C ATOM 615 CZ TYR A 41 -3.785 -7.086 -5.070 1.00 0.00 C ATOM 616 OH TYR A 41 -4.344 -7.760 -6.135 1.00 0.00 O ATOM 0 H TYR A 41 -1.399 -2.981 -3.132 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.815 -3.719 -1.670 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.980 -4.840 -1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.178 -5.548 -0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.416 -6.300 -1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.017 -5.283 -4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.420 -7.514 -3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -2.022 -6.502 -6.159 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.746 -7.702 -6.909 1.00 0.00 H new ATOM 626 N CYS A 42 -1.210 -2.524 -0.030 1.00 0.00 N ATOM 627 CA CYS A 42 -0.871 -1.965 1.309 1.00 0.00 C ATOM 628 C CYS A 42 -0.072 -0.667 1.184 1.00 0.00 C ATOM 629 O CYS A 42 1.104 -0.632 1.481 1.00 0.00 O ATOM 630 CB CYS A 42 -0.046 -2.989 2.077 1.00 0.00 C ATOM 631 SG CYS A 42 -0.682 -4.647 1.740 1.00 0.00 S ATOM 0 H CYS A 42 -0.465 -2.491 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.799 -1.745 1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.002 -2.923 1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.091 -2.781 3.146 1.00 0.00 H new ATOM 636 N PRO A 43 -0.710 0.395 0.777 1.00 0.00 N ATOM 637 CA PRO A 43 -0.044 1.724 0.642 1.00 0.00 C ATOM 638 C PRO A 43 0.395 2.267 2.005 1.00 0.00 C ATOM 639 O PRO A 43 1.406 2.930 2.132 1.00 0.00 O ATOM 640 CB PRO A 43 -1.133 2.617 0.035 1.00 0.00 C ATOM 641 CG PRO A 43 -2.424 1.947 0.368 1.00 0.00 C ATOM 642 CD PRO A 43 -2.130 0.452 0.395 1.00 0.00 C ATOM 0 HA PRO A 43 0.860 1.676 0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.094 3.623 0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.007 2.713 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.802 2.287 1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.187 2.181 -0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.762 -0.070 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.304 -0.010 -0.577 1.00 0.00 H new ATOM 650 N VAL A 44 -0.367 1.987 3.025 1.00 0.00 N ATOM 651 CA VAL A 44 -0.018 2.475 4.388 1.00 0.00 C ATOM 652 C VAL A 44 1.085 1.597 4.991 1.00 0.00 C ATOM 653 O VAL A 44 2.018 2.080 5.597 1.00 0.00 O ATOM 654 CB VAL A 44 -1.269 2.406 5.263 1.00 0.00 C ATOM 655 CG1 VAL A 44 -0.935 2.856 6.686 1.00 0.00 C ATOM 656 CG2 VAL A 44 -2.341 3.322 4.671 1.00 0.00 C ATOM 0 H VAL A 44 -1.224 1.436 2.972 1.00 0.00 H new ATOM 0 HA VAL A 44 0.344 3.502 4.333 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.636 1.380 5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.831 2.804 7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.168 2.203 7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.567 3.882 6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.238 3.279 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.969 4.346 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.581 2.994 3.660 1.00 0.00 H new ATOM 666 N THR A 45 0.970 0.309 4.832 1.00 0.00 N ATOM 667 CA THR A 45 1.990 -0.622 5.399 1.00 0.00 C ATOM 668 C THR A 45 3.377 -0.317 4.830 1.00 0.00 C ATOM 669 O THR A 45 4.370 -0.385 5.531 1.00 0.00 O ATOM 670 CB THR A 45 1.612 -2.055 5.028 1.00 0.00 C ATOM 671 OG1 THR A 45 0.283 -2.320 5.453 1.00 0.00 O ATOM 672 CG2 THR A 45 2.572 -3.033 5.703 1.00 0.00 C ATOM 0 H THR A 45 0.207 -0.145 4.329 1.00 0.00 H new ATOM 0 HA THR A 45 2.016 -0.497 6.481 1.00 0.00 H new ATOM 0 HB THR A 45 1.678 -2.177 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.262 -3.160 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.299 -4.054 5.436 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.590 -2.831 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.513 -2.913 6.785 1.00 0.00 H new ATOM 680 N CYS A 46 3.465 -0.007 3.568 1.00 0.00 N ATOM 681 CA CYS A 46 4.800 0.266 2.970 1.00 0.00 C ATOM 682 C CYS A 46 5.179 1.737 3.155 1.00 0.00 C ATOM 683 O CYS A 46 6.275 2.145 2.831 1.00 0.00 O ATOM 684 CB CYS A 46 4.777 -0.096 1.486 1.00 0.00 C ATOM 685 SG CYS A 46 4.732 -1.898 1.315 1.00 0.00 S ATOM 0 H CYS A 46 2.675 0.069 2.927 1.00 0.00 H new ATOM 0 HA CYS A 46 5.549 -0.344 3.476 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.907 0.349 1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.658 0.307 0.987 1.00 0.00 H new ATOM 690 N GLY A 47 4.300 2.532 3.695 1.00 0.00 N ATOM 691 CA GLY A 47 4.642 3.964 3.924 1.00 0.00 C ATOM 692 C GLY A 47 4.502 4.777 2.634 1.00 0.00 C ATOM 693 O GLY A 47 5.239 5.716 2.408 1.00 0.00 O ATOM 0 H GLY A 47 3.363 2.255 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.989 4.379 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.663 4.042 4.298 1.00 0.00 H new ATOM 697 N PHE A 48 3.555 4.456 1.799 1.00 0.00 N ATOM 698 CA PHE A 48 3.372 5.249 0.552 1.00 0.00 C ATOM 699 C PHE A 48 2.157 6.141 0.739 1.00 0.00 C ATOM 700 O PHE A 48 1.884 7.027 -0.047 1.00 0.00 O ATOM 701 CB PHE A 48 3.129 4.319 -0.634 1.00 0.00 C ATOM 702 CG PHE A 48 4.259 3.322 -0.765 1.00 0.00 C ATOM 703 CD1 PHE A 48 5.549 3.635 -0.311 1.00 0.00 C ATOM 704 CD2 PHE A 48 4.011 2.086 -1.360 1.00 0.00 C ATOM 705 CE1 PHE A 48 6.583 2.703 -0.455 1.00 0.00 C ATOM 706 CE2 PHE A 48 5.043 1.157 -1.506 1.00 0.00 C ATOM 707 CZ PHE A 48 6.329 1.464 -1.054 1.00 0.00 C ATOM 0 H PHE A 48 2.902 3.682 1.925 1.00 0.00 H new ATOM 0 HA PHE A 48 4.266 5.841 0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.184 3.792 -0.503 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.043 4.903 -1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.744 4.593 0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.018 1.846 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.577 2.940 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.847 0.201 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.127 0.745 -1.167 1.00 0.00 H new ATOM 717 N CYS A 49 1.431 5.913 1.794 1.00 0.00 N ATOM 718 CA CYS A 49 0.232 6.739 2.068 1.00 0.00 C ATOM 719 C CYS A 49 -0.041 6.748 3.570 1.00 0.00 C ATOM 720 O CYS A 49 0.640 6.102 4.341 1.00 0.00 O ATOM 721 CB CYS A 49 -0.979 6.175 1.331 1.00 0.00 C ATOM 722 SG CYS A 49 -2.201 7.495 1.123 1.00 0.00 S ATOM 0 H CYS A 49 1.620 5.184 2.482 1.00 0.00 H new ATOM 0 HA CYS A 49 0.412 7.756 1.719 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.680 5.781 0.360 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.410 5.346 1.892 1.00 0.00 H new ATOM 727 N GLU A 50 -1.029 7.486 3.991 1.00 0.00 N ATOM 728 CA GLU A 50 -1.349 7.550 5.444 1.00 0.00 C ATOM 729 C GLU A 50 -2.595 6.710 5.736 1.00 0.00 C ATOM 730 O GLU A 50 -3.420 6.483 4.872 1.00 0.00 O ATOM 731 CB GLU A 50 -1.614 9.009 5.832 1.00 0.00 C ATOM 732 CG GLU A 50 -3.124 9.262 5.872 1.00 0.00 C ATOM 733 CD GLU A 50 -3.387 10.766 5.974 1.00 0.00 C ATOM 734 OE1 GLU A 50 -3.429 11.264 7.086 1.00 0.00 O ATOM 735 OE2 GLU A 50 -3.549 11.390 4.940 1.00 0.00 O ATOM 0 H GLU A 50 -1.631 8.049 3.390 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.511 7.159 6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.173 9.223 6.806 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.141 9.679 5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.595 8.860 4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.568 8.746 6.723 1.00 0.00 H new ATOM 742 N PRO A 51 -2.736 6.263 6.956 1.00 0.00 N ATOM 743 CA PRO A 51 -3.905 5.443 7.387 1.00 0.00 C ATOM 744 C PRO A 51 -5.201 6.263 7.414 1.00 0.00 C ATOM 745 O PRO A 51 -6.100 5.937 6.661 1.00 0.00 O ATOM 746 CB PRO A 51 -3.535 4.979 8.799 1.00 0.00 C ATOM 747 CG PRO A 51 -2.517 5.956 9.289 1.00 0.00 C ATOM 748 CD PRO A 51 -1.788 6.488 8.057 1.00 0.00 C ATOM 749 OXT PRO A 51 -5.266 7.203 8.189 1.00 0.00 O ATOM 0 HA PRO A 51 -4.095 4.618 6.700 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.410 4.965 9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.132 3.966 8.786 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.994 6.769 9.837 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.819 5.476 9.974 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.544 7.545 8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.850 5.959 7.890 1.00 0.00 H new TER 757 PRO A 51