USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 432 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 ASN : amide:sc= -5.4! C(o=-4.5!,f=-5.9!) USER MOD Set 1.2: A 47 THR OG1 : rot 61:sc= 0.905 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.0076) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 26:sc= 0.338 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -165:sc= -0.0199 (180deg=-0.136) USER MOD Single : A 32 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.6!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -33:sc= 0.523 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= -2.34! (180deg=-2.53!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -1.89 X(o=-1.9,f=-1.6) USER MOD Single : A 52 THR OG1 : rot 130:sc= -4.38! USER MOD Single : A 55 SER OG : rot -129:sc= -2.99! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.081 -8.991 -24.701 1.00 0.00 N ATOM 2 CA GLY A 1 3.628 -8.070 -23.619 1.00 0.00 C ATOM 3 C GLY A 1 4.675 -8.034 -22.504 1.00 0.00 C ATOM 4 O GLY A 1 4.751 -8.925 -21.682 1.00 0.00 O ATOM 0 H1 GLY A 1 3.368 -9.014 -25.458 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.986 -8.654 -25.088 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.205 -9.948 -24.313 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.475 -7.068 -24.021 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.670 -8.404 -23.221 1.00 0.00 H new ATOM 10 N SER A 2 5.482 -7.009 -22.469 1.00 0.00 N ATOM 11 CA SER A 2 6.523 -6.918 -21.405 1.00 0.00 C ATOM 12 C SER A 2 6.174 -5.803 -20.416 1.00 0.00 C ATOM 13 O SER A 2 6.521 -5.861 -19.254 1.00 0.00 O ATOM 14 CB SER A 2 7.818 -6.592 -22.147 1.00 0.00 C ATOM 15 OG SER A 2 7.900 -5.187 -22.352 1.00 0.00 O ATOM 0 H SER A 2 5.466 -6.232 -23.129 1.00 0.00 H new ATOM 0 HA SER A 2 6.605 -7.838 -20.827 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.677 -6.938 -21.572 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.844 -7.113 -23.104 1.00 0.00 H new ATOM 0 HG SER A 2 8.731 -4.974 -22.826 1.00 0.00 H new ATOM 21 N HIS A 3 5.489 -4.789 -20.870 1.00 0.00 N ATOM 22 CA HIS A 3 5.117 -3.672 -19.954 1.00 0.00 C ATOM 23 C HIS A 3 3.655 -3.810 -19.519 1.00 0.00 C ATOM 24 O HIS A 3 3.227 -3.214 -18.551 1.00 0.00 O ATOM 25 CB HIS A 3 5.313 -2.399 -20.780 1.00 0.00 C ATOM 26 CG HIS A 3 6.175 -1.435 -20.013 1.00 0.00 C ATOM 27 ND1 HIS A 3 5.834 -0.100 -19.857 1.00 0.00 N ATOM 28 CD2 HIS A 3 7.368 -1.595 -19.352 1.00 0.00 C ATOM 29 CE1 HIS A 3 6.801 0.484 -19.127 1.00 0.00 C ATOM 30 NE2 HIS A 3 7.761 -0.383 -18.792 1.00 0.00 N ATOM 0 H HIS A 3 5.171 -4.685 -21.834 1.00 0.00 H new ATOM 0 HA HIS A 3 5.720 -3.665 -19.046 1.00 0.00 H new ATOM 0 HB2 HIS A 3 5.779 -2.640 -21.735 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.348 -1.944 -21.002 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.918 -2.521 -19.278 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.801 1.527 -18.846 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.601 -0.197 -18.244 1.00 0.00 H new ATOM 38 N MET A 4 2.887 -4.593 -20.228 1.00 0.00 N ATOM 39 CA MET A 4 1.453 -4.768 -19.854 1.00 0.00 C ATOM 40 C MET A 4 0.712 -3.432 -19.965 1.00 0.00 C ATOM 41 O MET A 4 1.306 -2.400 -20.207 1.00 0.00 O ATOM 42 CB MET A 4 1.477 -5.249 -18.403 1.00 0.00 C ATOM 43 CG MET A 4 0.938 -6.679 -18.329 1.00 0.00 C ATOM 44 SD MET A 4 2.083 -7.707 -17.377 1.00 0.00 S ATOM 45 CE MET A 4 1.240 -9.288 -17.634 1.00 0.00 C ATOM 0 H MET A 4 3.189 -5.118 -21.048 1.00 0.00 H new ATOM 0 HA MET A 4 0.938 -5.472 -20.507 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.494 -5.212 -18.014 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.873 -4.589 -17.780 1.00 0.00 H new ATOM 0 HG2 MET A 4 -0.047 -6.684 -17.862 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.816 -7.086 -19.333 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.787 -10.080 -17.122 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.228 -9.230 -17.234 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.197 -9.508 -18.701 1.00 0.00 H new ATOM 55 N GLU A 5 -0.582 -3.444 -19.788 1.00 0.00 N ATOM 56 CA GLU A 5 -1.358 -2.174 -19.885 1.00 0.00 C ATOM 57 C GLU A 5 -1.793 -1.711 -18.492 1.00 0.00 C ATOM 58 O GLU A 5 -2.121 -2.508 -17.635 1.00 0.00 O ATOM 59 CB GLU A 5 -2.577 -2.518 -20.741 1.00 0.00 C ATOM 60 CG GLU A 5 -3.590 -1.373 -20.671 1.00 0.00 C ATOM 61 CD GLU A 5 -4.717 -1.748 -19.709 1.00 0.00 C ATOM 62 OE1 GLU A 5 -5.443 -2.681 -20.013 1.00 0.00 O ATOM 63 OE2 GLU A 5 -4.836 -1.097 -18.684 1.00 0.00 O ATOM 0 H GLU A 5 -1.134 -4.276 -19.581 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.771 -1.364 -20.319 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.273 -2.686 -21.774 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.033 -3.443 -20.388 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.100 -0.459 -20.335 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.996 -1.171 -21.662 1.00 0.00 H new ATOM 70 N GLN A 6 -1.799 -0.427 -18.261 1.00 0.00 N ATOM 71 CA GLN A 6 -2.213 0.090 -16.925 1.00 0.00 C ATOM 72 C GLN A 6 -3.275 1.180 -17.087 1.00 0.00 C ATOM 73 O GLN A 6 -3.578 1.607 -18.184 1.00 0.00 O ATOM 74 CB GLN A 6 -0.938 0.669 -16.311 1.00 0.00 C ATOM 75 CG GLN A 6 -0.525 -0.172 -15.102 1.00 0.00 C ATOM 76 CD GLN A 6 0.906 0.185 -14.695 1.00 0.00 C ATOM 77 OE1 GLN A 6 1.115 0.945 -13.772 1.00 0.00 O ATOM 78 NE2 GLN A 6 1.906 -0.334 -15.353 1.00 0.00 N ATOM 0 H GLN A 6 -1.535 0.287 -18.940 1.00 0.00 H new ATOM 0 HA GLN A 6 -2.649 -0.688 -16.298 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.138 0.679 -17.051 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.105 1.703 -16.008 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.206 0.009 -14.271 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.591 -1.233 -15.344 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.730 -0.973 -16.129 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.864 -0.101 -15.092 1.00 0.00 H new ATOM 87 N ASP A 7 -3.842 1.636 -16.004 1.00 0.00 N ATOM 88 CA ASP A 7 -4.884 2.698 -16.098 1.00 0.00 C ATOM 89 C ASP A 7 -4.783 3.644 -14.899 1.00 0.00 C ATOM 90 O ASP A 7 -5.373 3.414 -13.862 1.00 0.00 O ATOM 91 CB ASP A 7 -6.217 1.948 -16.083 1.00 0.00 C ATOM 92 CG ASP A 7 -6.193 0.882 -14.985 1.00 0.00 C ATOM 93 OD1 ASP A 7 -5.616 -0.167 -15.218 1.00 0.00 O ATOM 94 OD2 ASP A 7 -6.754 1.134 -13.931 1.00 0.00 O ATOM 0 H ASP A 7 -3.629 1.319 -15.058 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.773 3.309 -16.993 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.036 2.645 -15.909 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.395 1.482 -17.052 1.00 0.00 H new ATOM 99 N LEU A 8 -4.036 4.707 -15.030 1.00 0.00 N ATOM 100 CA LEU A 8 -3.895 5.666 -13.898 1.00 0.00 C ATOM 101 C LEU A 8 -4.809 6.875 -14.108 1.00 0.00 C ATOM 102 O LEU A 8 -4.482 7.985 -13.740 1.00 0.00 O ATOM 103 CB LEU A 8 -2.428 6.093 -13.921 1.00 0.00 C ATOM 104 CG LEU A 8 -1.898 6.179 -12.490 1.00 0.00 C ATOM 105 CD1 LEU A 8 -1.930 4.790 -11.850 1.00 0.00 C ATOM 106 CD2 LEU A 8 -0.458 6.696 -12.511 1.00 0.00 C ATOM 0 H LEU A 8 -3.517 4.952 -15.873 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.176 5.220 -12.944 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.839 5.378 -14.495 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.327 7.059 -14.416 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.522 6.861 -11.912 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.552 4.851 -10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.955 4.419 -11.836 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.306 4.109 -12.428 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.079 6.758 -11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.165 6.014 -13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.433 7.685 -12.968 1.00 0.00 H new ATOM 118 N LYS A 9 -5.954 6.667 -14.696 1.00 0.00 N ATOM 119 CA LYS A 9 -6.890 7.804 -14.928 1.00 0.00 C ATOM 120 C LYS A 9 -8.055 7.736 -13.936 1.00 0.00 C ATOM 121 O LYS A 9 -8.782 8.692 -13.750 1.00 0.00 O ATOM 122 CB LYS A 9 -7.393 7.617 -16.360 1.00 0.00 C ATOM 123 CG LYS A 9 -7.982 6.214 -16.517 1.00 0.00 C ATOM 124 CD LYS A 9 -7.143 5.416 -17.515 1.00 0.00 C ATOM 125 CE LYS A 9 -8.064 4.745 -18.534 1.00 0.00 C ATOM 126 NZ LYS A 9 -8.357 5.804 -19.540 1.00 0.00 N ATOM 0 H LYS A 9 -6.283 5.760 -15.026 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.409 8.772 -14.789 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.148 8.368 -16.592 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.574 7.760 -17.065 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.000 5.706 -15.553 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.014 6.278 -16.863 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.439 6.075 -18.024 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.553 4.664 -16.991 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.581 3.884 -18.996 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.978 4.384 -18.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.985 5.421 -20.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.822 6.608 -19.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.469 6.124 -19.976 1.00 0.00 H new ATOM 140 N THR A 10 -8.235 6.613 -13.296 1.00 0.00 N ATOM 141 CA THR A 10 -9.350 6.484 -12.315 1.00 0.00 C ATOM 142 C THR A 10 -8.958 5.512 -11.199 1.00 0.00 C ATOM 143 O THR A 10 -8.425 4.450 -11.447 1.00 0.00 O ATOM 144 CB THR A 10 -10.528 5.928 -13.120 1.00 0.00 C ATOM 145 OG1 THR A 10 -10.221 4.612 -13.558 1.00 0.00 O ATOM 146 CG2 THR A 10 -10.791 6.823 -14.331 1.00 0.00 C ATOM 0 H THR A 10 -7.658 5.779 -13.410 1.00 0.00 H new ATOM 0 HA THR A 10 -9.595 7.434 -11.841 1.00 0.00 H new ATOM 0 HB THR A 10 -11.418 5.904 -12.491 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.567 4.209 -12.950 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.630 6.425 -14.902 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.028 7.832 -13.993 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.903 6.851 -14.962 1.00 0.00 H new ATOM 154 N LEU A 11 -9.216 5.868 -9.970 1.00 0.00 N ATOM 155 CA LEU A 11 -8.854 4.961 -8.842 1.00 0.00 C ATOM 156 C LEU A 11 -9.354 5.544 -7.513 1.00 0.00 C ATOM 157 O LEU A 11 -9.256 6.735 -7.291 1.00 0.00 O ATOM 158 CB LEU A 11 -7.326 4.904 -8.861 1.00 0.00 C ATOM 159 CG LEU A 11 -6.839 3.852 -7.863 1.00 0.00 C ATOM 160 CD1 LEU A 11 -6.976 2.461 -8.482 1.00 0.00 C ATOM 161 CD2 LEU A 11 -5.369 4.116 -7.524 1.00 0.00 C ATOM 0 H LEU A 11 -9.660 6.745 -9.698 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.302 3.973 -8.943 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.974 4.660 -9.863 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.912 5.880 -8.607 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.439 3.906 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.629 1.711 -7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.021 2.273 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.375 2.406 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.020 3.368 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.770 4.060 -8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.270 5.108 -7.084 1.00 0.00 H new ATOM 173 N PRO A 12 -9.873 4.691 -6.660 1.00 0.00 N ATOM 174 CA PRO A 12 -10.382 5.146 -5.345 1.00 0.00 C ATOM 175 C PRO A 12 -9.246 5.767 -4.527 1.00 0.00 C ATOM 176 O PRO A 12 -8.118 5.314 -4.574 1.00 0.00 O ATOM 177 CB PRO A 12 -10.879 3.845 -4.706 1.00 0.00 C ATOM 178 CG PRO A 12 -10.632 2.684 -5.689 1.00 0.00 C ATOM 179 CD PRO A 12 -9.979 3.244 -6.960 1.00 0.00 C ATOM 0 HA PRO A 12 -11.157 5.910 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.357 3.662 -3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.941 3.921 -4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.987 1.933 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.572 2.190 -5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.003 2.796 -7.145 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.588 3.057 -7.844 1.00 0.00 H new ATOM 187 N THR A 13 -9.525 6.803 -3.784 1.00 0.00 N ATOM 188 CA THR A 13 -8.449 7.446 -2.977 1.00 0.00 C ATOM 189 C THR A 13 -8.771 7.366 -1.483 1.00 0.00 C ATOM 190 O THR A 13 -9.906 7.194 -1.088 1.00 0.00 O ATOM 191 CB THR A 13 -8.429 8.907 -3.430 1.00 0.00 C ATOM 192 OG1 THR A 13 -9.729 9.463 -3.285 1.00 0.00 O ATOM 193 CG2 THR A 13 -7.999 8.985 -4.895 1.00 0.00 C ATOM 0 H THR A 13 -10.447 7.231 -3.701 1.00 0.00 H new ATOM 0 HA THR A 13 -7.488 6.953 -3.122 1.00 0.00 H new ATOM 0 HB THR A 13 -7.722 9.468 -2.818 1.00 0.00 H new ATOM 0 HG1 THR A 13 -9.718 10.400 -3.573 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.986 10.027 -5.215 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.002 8.559 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.703 8.425 -5.511 1.00 0.00 H new ATOM 201 N THR A 14 -7.775 7.502 -0.652 1.00 0.00 N ATOM 202 CA THR A 14 -8.011 7.449 0.818 1.00 0.00 C ATOM 203 C THR A 14 -7.333 8.643 1.489 1.00 0.00 C ATOM 204 O THR A 14 -6.365 9.179 0.987 1.00 0.00 O ATOM 205 CB THR A 14 -7.374 6.140 1.287 1.00 0.00 C ATOM 206 OG1 THR A 14 -7.698 5.922 2.652 1.00 0.00 O ATOM 207 CG2 THR A 14 -5.855 6.221 1.128 1.00 0.00 C ATOM 0 H THR A 14 -6.804 7.648 -0.929 1.00 0.00 H new ATOM 0 HA THR A 14 -9.071 7.490 1.069 1.00 0.00 H new ATOM 0 HB THR A 14 -7.755 5.315 0.685 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.292 5.083 2.955 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.404 5.287 1.463 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.607 6.388 0.080 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.470 7.046 1.728 1.00 0.00 H new ATOM 215 N LYS A 15 -7.827 9.065 2.617 1.00 0.00 N ATOM 216 CA LYS A 15 -7.198 10.224 3.308 1.00 0.00 C ATOM 217 C LYS A 15 -5.951 9.762 4.057 1.00 0.00 C ATOM 218 O LYS A 15 -6.017 8.978 4.982 1.00 0.00 O ATOM 219 CB LYS A 15 -8.260 10.734 4.282 1.00 0.00 C ATOM 220 CG LYS A 15 -9.402 11.384 3.499 1.00 0.00 C ATOM 221 CD LYS A 15 -9.577 12.831 3.960 1.00 0.00 C ATOM 222 CE LYS A 15 -10.256 13.641 2.853 1.00 0.00 C ATOM 223 NZ LYS A 15 -11.712 13.564 3.159 1.00 0.00 N ATOM 0 H LYS A 15 -8.635 8.660 3.089 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.885 11.005 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.641 9.910 4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.820 11.456 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.187 11.355 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.326 10.827 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.177 12.864 4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.607 13.267 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.907 14.674 2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.037 13.226 1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.246 14.097 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.017 12.570 3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.891 13.972 4.099 1.00 0.00 H new ATOM 237 N ILE A 16 -4.814 10.243 3.652 1.00 0.00 N ATOM 238 CA ILE A 16 -3.545 9.843 4.314 1.00 0.00 C ATOM 239 C ILE A 16 -2.529 10.968 4.146 1.00 0.00 C ATOM 240 O ILE A 16 -2.868 12.052 3.725 1.00 0.00 O ATOM 241 CB ILE A 16 -3.109 8.574 3.571 1.00 0.00 C ATOM 242 CG1 ILE A 16 -2.123 7.784 4.434 1.00 0.00 C ATOM 243 CG2 ILE A 16 -2.446 8.947 2.243 1.00 0.00 C ATOM 244 CD1 ILE A 16 -2.279 6.289 4.142 1.00 0.00 C ATOM 0 H ILE A 16 -4.707 10.904 2.882 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.644 9.658 5.384 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.987 7.960 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.102 8.103 4.224 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.307 7.981 5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.139 8.040 1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.154 9.499 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.571 9.568 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.578 5.723 4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.297 5.977 4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.073 6.101 3.088 1.00 0.00 H new ATOM 256 N THR A 17 -1.291 10.740 4.463 1.00 0.00 N ATOM 257 CA THR A 17 -0.298 11.834 4.294 1.00 0.00 C ATOM 258 C THR A 17 0.883 11.374 3.443 1.00 0.00 C ATOM 259 O THR A 17 1.032 10.208 3.136 1.00 0.00 O ATOM 260 CB THR A 17 0.158 12.203 5.700 1.00 0.00 C ATOM 261 OG1 THR A 17 -0.808 11.763 6.645 1.00 0.00 O ATOM 262 CG2 THR A 17 0.306 13.721 5.780 1.00 0.00 C ATOM 0 H THR A 17 -0.925 9.860 4.826 1.00 0.00 H new ATOM 0 HA THR A 17 -0.734 12.690 3.778 1.00 0.00 H new ATOM 0 HB THR A 17 1.112 11.725 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.513 11.999 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.632 14.003 6.781 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.045 14.053 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.653 14.192 5.565 1.00 0.00 H new ATOM 270 N CYS A 18 1.711 12.297 3.044 1.00 0.00 N ATOM 271 CA CYS A 18 2.878 11.942 2.192 1.00 0.00 C ATOM 272 C CYS A 18 4.174 12.519 2.782 1.00 0.00 C ATOM 273 O CYS A 18 4.377 13.716 2.758 1.00 0.00 O ATOM 274 CB CYS A 18 2.561 12.602 0.856 1.00 0.00 C ATOM 275 SG CYS A 18 3.966 12.425 -0.268 1.00 0.00 S ATOM 0 H CYS A 18 1.629 13.288 3.273 1.00 0.00 H new ATOM 0 HA CYS A 18 3.031 10.866 2.110 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.674 12.146 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.336 13.658 1.007 1.00 0.00 H new ATOM 280 N PRO A 19 5.017 11.651 3.290 1.00 0.00 N ATOM 281 CA PRO A 19 6.304 12.094 3.881 1.00 0.00 C ATOM 282 C PRO A 19 7.211 12.721 2.814 1.00 0.00 C ATOM 283 O PRO A 19 8.272 13.232 3.116 1.00 0.00 O ATOM 284 CB PRO A 19 6.906 10.782 4.399 1.00 0.00 C ATOM 285 CG PRO A 19 5.935 9.630 4.077 1.00 0.00 C ATOM 286 CD PRO A 19 4.733 10.196 3.311 1.00 0.00 C ATOM 0 HA PRO A 19 6.185 12.855 4.653 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.874 10.601 3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.076 10.843 5.474 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.438 8.868 3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.603 9.148 4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.663 9.782 2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.791 9.974 3.813 1.00 0.00 H new ATOM 294 N LYS A 20 6.814 12.679 1.570 1.00 0.00 N ATOM 295 CA LYS A 20 7.667 13.265 0.497 1.00 0.00 C ATOM 296 C LYS A 20 7.363 14.754 0.315 1.00 0.00 C ATOM 297 O LYS A 20 8.200 15.601 0.558 1.00 0.00 O ATOM 298 CB LYS A 20 7.296 12.485 -0.764 1.00 0.00 C ATOM 299 CG LYS A 20 8.500 12.437 -1.708 1.00 0.00 C ATOM 300 CD LYS A 20 8.125 13.079 -3.043 1.00 0.00 C ATOM 301 CE LYS A 20 9.397 13.431 -3.817 1.00 0.00 C ATOM 302 NZ LYS A 20 8.922 14.136 -5.040 1.00 0.00 N ATOM 0 H LYS A 20 5.938 12.265 1.252 1.00 0.00 H new ATOM 0 HA LYS A 20 8.729 13.192 0.732 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.986 11.474 -0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.449 12.958 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.345 12.963 -1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.813 11.405 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.509 12.395 -3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.531 13.977 -2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.055 14.067 -3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.964 12.536 -4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.739 14.409 -5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.303 13.504 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.392 14.988 -4.766 1.00 0.00 H new ATOM 316 N CYS A 21 6.177 15.084 -0.121 1.00 0.00 N ATOM 317 CA CYS A 21 5.836 16.522 -0.326 1.00 0.00 C ATOM 318 C CYS A 21 4.922 17.031 0.795 1.00 0.00 C ATOM 319 O CYS A 21 4.864 18.213 1.068 1.00 0.00 O ATOM 320 CB CYS A 21 5.132 16.579 -1.687 1.00 0.00 C ATOM 321 SG CYS A 21 3.452 15.919 -1.547 1.00 0.00 S ATOM 0 H CYS A 21 5.432 14.423 -0.343 1.00 0.00 H new ATOM 0 HA CYS A 21 6.721 17.158 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.098 17.608 -2.045 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.697 16.005 -2.421 1.00 0.00 H new ATOM 326 N GLY A 22 4.218 16.153 1.460 1.00 0.00 N ATOM 327 CA GLY A 22 3.327 16.604 2.571 1.00 0.00 C ATOM 328 C GLY A 22 1.864 16.570 2.124 1.00 0.00 C ATOM 329 O GLY A 22 1.002 17.158 2.747 1.00 0.00 O ATOM 0 H GLY A 22 4.221 15.148 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.464 15.961 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.598 17.615 2.876 1.00 0.00 H new ATOM 333 N ASN A 23 1.574 15.883 1.055 1.00 0.00 N ATOM 334 CA ASN A 23 0.164 15.806 0.574 1.00 0.00 C ATOM 335 C ASN A 23 -0.721 15.189 1.660 1.00 0.00 C ATOM 336 O ASN A 23 -0.308 14.300 2.377 1.00 0.00 O ATOM 337 CB ASN A 23 0.220 14.904 -0.662 1.00 0.00 C ATOM 338 CG ASN A 23 -1.171 14.794 -1.296 1.00 0.00 C ATOM 339 OD1 ASN A 23 -1.471 13.821 -1.958 1.00 0.00 O ATOM 340 ND2 ASN A 23 -2.036 15.756 -1.127 1.00 0.00 N ATOM 0 H ASN A 23 2.253 15.370 0.492 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.256 16.784 0.340 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.927 15.309 -1.386 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.581 13.914 -0.383 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.962 15.690 -1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.787 16.574 -0.571 1.00 0.00 H new ATOM 347 N ASP A 24 -1.931 15.658 1.795 1.00 0.00 N ATOM 348 CA ASP A 24 -2.831 15.100 2.844 1.00 0.00 C ATOM 349 C ASP A 24 -3.686 13.965 2.273 1.00 0.00 C ATOM 350 O ASP A 24 -4.610 13.492 2.910 1.00 0.00 O ATOM 351 CB ASP A 24 -3.714 16.272 3.273 1.00 0.00 C ATOM 352 CG ASP A 24 -2.902 17.227 4.149 1.00 0.00 C ATOM 353 OD1 ASP A 24 -2.750 16.936 5.324 1.00 0.00 O ATOM 354 OD2 ASP A 24 -2.445 18.232 3.630 1.00 0.00 O ATOM 0 H ASP A 24 -2.335 16.402 1.226 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.272 14.680 3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.091 16.798 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.581 15.906 3.822 1.00 0.00 H new ATOM 359 N THR A 25 -3.387 13.511 1.088 1.00 0.00 N ATOM 360 CA THR A 25 -4.195 12.401 0.507 1.00 0.00 C ATOM 361 C THR A 25 -3.352 11.544 -0.440 1.00 0.00 C ATOM 362 O THR A 25 -2.285 11.930 -0.872 1.00 0.00 O ATOM 363 CB THR A 25 -5.313 13.076 -0.278 1.00 0.00 C ATOM 364 OG1 THR A 25 -5.933 14.069 0.528 1.00 0.00 O ATOM 365 CG2 THR A 25 -6.343 12.027 -0.691 1.00 0.00 C ATOM 0 H THR A 25 -2.627 13.855 0.501 1.00 0.00 H new ATOM 0 HA THR A 25 -4.572 11.742 1.289 1.00 0.00 H new ATOM 0 HB THR A 25 -4.899 13.549 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.650 14.502 0.020 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.145 12.506 -1.253 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.864 11.272 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.757 11.553 0.199 1.00 0.00 H new ATOM 373 N ALA A 26 -3.842 10.384 -0.766 1.00 0.00 N ATOM 374 CA ALA A 26 -3.102 9.478 -1.694 1.00 0.00 C ATOM 375 C ALA A 26 -4.050 8.404 -2.241 1.00 0.00 C ATOM 376 O ALA A 26 -5.042 8.073 -1.620 1.00 0.00 O ATOM 377 CB ALA A 26 -2.011 8.841 -0.833 1.00 0.00 C ATOM 0 H ALA A 26 -4.732 10.018 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.687 10.007 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.419 8.158 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.365 9.620 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.470 8.290 -0.012 1.00 0.00 H new ATOM 383 N TYR A 27 -3.748 7.833 -3.376 1.00 0.00 N ATOM 384 CA TYR A 27 -4.634 6.758 -3.913 1.00 0.00 C ATOM 385 C TYR A 27 -4.313 5.467 -3.162 1.00 0.00 C ATOM 386 O TYR A 27 -3.324 5.394 -2.462 1.00 0.00 O ATOM 387 CB TYR A 27 -4.275 6.612 -5.396 1.00 0.00 C ATOM 388 CG TYR A 27 -4.385 7.945 -6.098 1.00 0.00 C ATOM 389 CD1 TYR A 27 -5.627 8.398 -6.560 1.00 0.00 C ATOM 390 CD2 TYR A 27 -3.240 8.722 -6.299 1.00 0.00 C ATOM 391 CE1 TYR A 27 -5.721 9.630 -7.219 1.00 0.00 C ATOM 392 CE2 TYR A 27 -3.332 9.951 -6.957 1.00 0.00 C ATOM 393 CZ TYR A 27 -4.573 10.407 -7.418 1.00 0.00 C ATOM 394 OH TYR A 27 -4.665 11.620 -8.071 1.00 0.00 O ATOM 0 H TYR A 27 -2.936 8.060 -3.950 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.694 6.983 -3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.261 6.224 -5.495 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.940 5.889 -5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.512 7.798 -6.408 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.282 8.371 -5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.679 9.981 -7.574 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.446 10.549 -7.110 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.777 12.031 -8.124 1.00 0.00 H new ATOM 404 N TRP A 28 -5.119 4.450 -3.277 1.00 0.00 N ATOM 405 CA TRP A 28 -4.793 3.202 -2.529 1.00 0.00 C ATOM 406 C TRP A 28 -5.383 1.959 -3.188 1.00 0.00 C ATOM 407 O TRP A 28 -6.496 1.958 -3.678 1.00 0.00 O ATOM 408 CB TRP A 28 -5.423 3.377 -1.151 1.00 0.00 C ATOM 409 CG TRP A 28 -6.911 3.411 -1.294 1.00 0.00 C ATOM 410 CD1 TRP A 28 -7.653 4.526 -1.484 1.00 0.00 C ATOM 411 CD2 TRP A 28 -7.848 2.295 -1.270 1.00 0.00 C ATOM 412 NE1 TRP A 28 -8.986 4.166 -1.571 1.00 0.00 N ATOM 413 CE2 TRP A 28 -9.157 2.800 -1.446 1.00 0.00 C ATOM 414 CE3 TRP A 28 -7.688 0.906 -1.112 1.00 0.00 C ATOM 415 CZ2 TRP A 28 -10.269 1.958 -1.465 1.00 0.00 C ATOM 416 CZ3 TRP A 28 -8.805 0.055 -1.131 1.00 0.00 C ATOM 417 CH2 TRP A 28 -10.093 0.579 -1.308 1.00 0.00 C ATOM 0 H TRP A 28 -5.969 4.425 -3.841 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.713 3.057 -2.497 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.127 2.558 -0.495 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.068 4.299 -0.690 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.268 5.532 -1.556 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.750 4.828 -1.710 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.700 0.492 -0.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -11.259 2.368 -1.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -8.671 -1.010 -1.008 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -10.948 -0.081 -1.323 1.00 0.00 H new ATOM 428 N TRP A 29 -4.644 0.891 -3.152 1.00 0.00 N ATOM 429 CA TRP A 29 -5.132 -0.392 -3.718 1.00 0.00 C ATOM 430 C TRP A 29 -4.444 -1.534 -2.969 1.00 0.00 C ATOM 431 O TRP A 29 -3.605 -1.305 -2.121 1.00 0.00 O ATOM 432 CB TRP A 29 -4.747 -0.376 -5.197 1.00 0.00 C ATOM 433 CG TRP A 29 -3.278 -0.164 -5.341 1.00 0.00 C ATOM 434 CD1 TRP A 29 -2.381 -1.141 -5.598 1.00 0.00 C ATOM 435 CD2 TRP A 29 -2.520 1.078 -5.249 1.00 0.00 C ATOM 436 NE1 TRP A 29 -1.120 -0.580 -5.676 1.00 0.00 N ATOM 437 CE2 TRP A 29 -1.154 0.786 -5.467 1.00 0.00 C ATOM 438 CE3 TRP A 29 -2.880 2.416 -5.000 1.00 0.00 C ATOM 439 CZ2 TRP A 29 -0.180 1.785 -5.440 1.00 0.00 C ATOM 440 CZ3 TRP A 29 -1.903 3.421 -4.972 1.00 0.00 C ATOM 441 CH2 TRP A 29 -0.557 3.108 -5.192 1.00 0.00 C ATOM 0 H TRP A 29 -3.708 0.852 -2.748 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.209 -0.526 -3.617 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.034 -1.317 -5.666 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.289 0.416 -5.714 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.611 -2.189 -5.722 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.269 -1.109 -5.865 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.916 2.670 -4.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.858 1.538 -5.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.191 4.444 -4.779 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.190 3.888 -5.170 1.00 0.00 H new ATOM 452 N GLU A 30 -4.789 -2.755 -3.250 1.00 0.00 N ATOM 453 CA GLU A 30 -4.142 -3.879 -2.516 1.00 0.00 C ATOM 454 C GLU A 30 -3.256 -4.696 -3.459 1.00 0.00 C ATOM 455 O GLU A 30 -3.466 -4.723 -4.656 1.00 0.00 O ATOM 456 CB GLU A 30 -5.299 -4.732 -1.996 1.00 0.00 C ATOM 457 CG GLU A 30 -6.132 -5.237 -3.175 1.00 0.00 C ATOM 458 CD GLU A 30 -6.033 -6.762 -3.256 1.00 0.00 C ATOM 459 OE1 GLU A 30 -5.161 -7.314 -2.604 1.00 0.00 O ATOM 460 OE2 GLU A 30 -6.829 -7.351 -3.969 1.00 0.00 O ATOM 0 H GLU A 30 -5.483 -3.025 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.500 -3.525 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.914 -5.575 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.923 -4.145 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.173 -4.936 -3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.776 -4.789 -4.103 1.00 0.00 H new ATOM 467 N MET A 31 -2.270 -5.366 -2.930 1.00 0.00 N ATOM 468 CA MET A 31 -1.374 -6.185 -3.797 1.00 0.00 C ATOM 469 C MET A 31 -1.223 -7.595 -3.218 1.00 0.00 C ATOM 470 O MET A 31 -0.454 -7.822 -2.304 1.00 0.00 O ATOM 471 CB MET A 31 -0.032 -5.454 -3.787 1.00 0.00 C ATOM 472 CG MET A 31 -0.129 -4.193 -4.648 1.00 0.00 C ATOM 473 SD MET A 31 0.750 -4.458 -6.207 1.00 0.00 S ATOM 474 CE MET A 31 1.997 -3.164 -5.988 1.00 0.00 C ATOM 0 H MET A 31 -2.045 -5.382 -1.935 1.00 0.00 H new ATOM 0 HA MET A 31 -1.767 -6.297 -4.807 1.00 0.00 H new ATOM 0 HB2 MET A 31 0.242 -5.189 -2.766 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.753 -6.108 -4.168 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.174 -3.953 -4.844 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.299 -3.343 -4.117 1.00 0.00 H new ATOM 0 HE1 MET A 31 2.487 -2.965 -6.941 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.517 -2.253 -5.630 1.00 0.00 H new ATOM 0 HE3 MET A 31 2.739 -3.493 -5.261 1.00 0.00 H new ATOM 484 N GLN A 32 -1.949 -8.543 -3.743 1.00 0.00 N ATOM 485 CA GLN A 32 -1.844 -9.937 -3.224 1.00 0.00 C ATOM 486 C GLN A 32 -0.696 -10.671 -3.921 1.00 0.00 C ATOM 487 O GLN A 32 -0.833 -11.145 -5.031 1.00 0.00 O ATOM 488 CB GLN A 32 -3.185 -10.591 -3.565 1.00 0.00 C ATOM 489 CG GLN A 32 -3.424 -10.511 -5.075 1.00 0.00 C ATOM 490 CD GLN A 32 -3.410 -11.920 -5.669 1.00 0.00 C ATOM 491 OE1 GLN A 32 -2.517 -12.269 -6.416 1.00 0.00 O ATOM 492 NE2 GLN A 32 -4.369 -12.751 -5.366 1.00 0.00 N ATOM 0 H GLN A 32 -2.610 -8.413 -4.509 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.639 -9.966 -2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.187 -11.632 -3.241 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.992 -10.089 -3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.380 -10.029 -5.277 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.653 -9.899 -5.544 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.118 -12.458 -4.739 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.369 -13.694 -5.756 1.00 0.00 H new ATOM 501 N THR A 33 0.434 -10.770 -3.278 1.00 0.00 N ATOM 502 CA THR A 33 1.589 -11.473 -3.904 1.00 0.00 C ATOM 503 C THR A 33 2.444 -12.145 -2.827 1.00 0.00 C ATOM 504 O THR A 33 2.952 -13.233 -3.013 1.00 0.00 O ATOM 505 CB THR A 33 2.384 -10.378 -4.619 1.00 0.00 C ATOM 506 OG1 THR A 33 3.580 -10.935 -5.149 1.00 0.00 O ATOM 507 CG2 THR A 33 2.732 -9.265 -3.629 1.00 0.00 C ATOM 0 H THR A 33 0.608 -10.394 -2.346 1.00 0.00 H new ATOM 0 HA THR A 33 1.272 -12.257 -4.592 1.00 0.00 H new ATOM 0 HB THR A 33 1.784 -9.963 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.091 -10.236 -5.609 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.298 -8.487 -4.141 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.814 -8.839 -3.223 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.332 -9.675 -2.817 1.00 0.00 H new ATOM 515 N ARG A 34 2.610 -11.507 -1.700 1.00 0.00 N ATOM 516 CA ARG A 34 3.433 -12.115 -0.616 1.00 0.00 C ATOM 517 C ARG A 34 2.723 -11.974 0.734 1.00 0.00 C ATOM 518 O ARG A 34 1.598 -11.523 0.811 1.00 0.00 O ATOM 519 CB ARG A 34 4.739 -11.321 -0.619 1.00 0.00 C ATOM 520 CG ARG A 34 5.649 -11.844 -1.731 1.00 0.00 C ATOM 521 CD ARG A 34 7.072 -11.331 -1.506 1.00 0.00 C ATOM 522 NE ARG A 34 7.954 -12.403 -2.044 1.00 0.00 N ATOM 523 CZ ARG A 34 8.496 -12.272 -3.224 1.00 0.00 C ATOM 524 NH1 ARG A 34 7.748 -12.298 -4.292 1.00 0.00 N ATOM 525 NH2 ARG A 34 9.787 -12.119 -3.334 1.00 0.00 N ATOM 0 H ARG A 34 2.212 -10.593 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 34 3.601 -13.180 -0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.533 -10.261 -0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.236 -11.414 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.641 -12.934 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.281 -11.514 -2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.238 -10.386 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.266 -11.154 -0.448 1.00 0.00 H new ATOM 0 HE ARG A 34 8.135 -13.240 -1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.739 -12.421 -4.205 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.172 -12.196 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.372 -12.102 -2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.212 -12.017 -4.256 1.00 0.00 H new ATOM 539 N ALA A 35 3.375 -12.355 1.798 1.00 0.00 N ATOM 540 CA ALA A 35 2.740 -12.242 3.142 1.00 0.00 C ATOM 541 C ALA A 35 3.786 -11.839 4.185 1.00 0.00 C ATOM 542 O ALA A 35 3.761 -10.744 4.711 1.00 0.00 O ATOM 543 CB ALA A 35 2.194 -13.637 3.441 1.00 0.00 C ATOM 0 H ALA A 35 4.320 -12.740 1.795 1.00 0.00 H new ATOM 0 HA ALA A 35 1.956 -11.485 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.709 -13.637 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.469 -13.916 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.013 -14.356 3.443 1.00 0.00 H new ATOM 549 N GLY A 36 4.704 -12.716 4.486 1.00 0.00 N ATOM 550 CA GLY A 36 5.751 -12.384 5.494 1.00 0.00 C ATOM 551 C GLY A 36 5.096 -12.149 6.855 1.00 0.00 C ATOM 552 O GLY A 36 4.961 -13.055 7.655 1.00 0.00 O ATOM 0 H GLY A 36 4.775 -13.648 4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.475 -13.196 5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.299 -11.494 5.184 1.00 0.00 H new ATOM 556 N ASP A 37 4.687 -10.941 7.126 1.00 0.00 N ATOM 557 CA ASP A 37 4.039 -10.647 8.437 1.00 0.00 C ATOM 558 C ASP A 37 2.590 -10.205 8.223 1.00 0.00 C ATOM 559 O ASP A 37 1.661 -10.942 8.486 1.00 0.00 O ATOM 560 CB ASP A 37 4.860 -9.508 9.041 1.00 0.00 C ATOM 561 CG ASP A 37 6.315 -9.951 9.194 1.00 0.00 C ATOM 562 OD1 ASP A 37 6.937 -10.233 8.183 1.00 0.00 O ATOM 563 OD2 ASP A 37 6.784 -10.001 10.319 1.00 0.00 O ATOM 0 H ASP A 37 4.773 -10.143 6.496 1.00 0.00 H new ATOM 0 HA ASP A 37 4.013 -11.521 9.088 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.803 -8.626 8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.451 -9.226 10.011 1.00 0.00 H new ATOM 568 N GLU A 38 2.391 -9.007 7.746 1.00 0.00 N ATOM 569 CA GLU A 38 1.002 -8.519 7.517 1.00 0.00 C ATOM 570 C GLU A 38 0.414 -9.182 6.262 1.00 0.00 C ATOM 571 O GLU A 38 1.086 -9.294 5.257 1.00 0.00 O ATOM 572 CB GLU A 38 1.144 -7.011 7.311 1.00 0.00 C ATOM 573 CG GLU A 38 -0.171 -6.443 6.774 1.00 0.00 C ATOM 574 CD GLU A 38 0.067 -5.820 5.398 1.00 0.00 C ATOM 575 OE1 GLU A 38 1.023 -6.211 4.750 1.00 0.00 O ATOM 576 OE2 GLU A 38 -0.712 -4.963 5.015 1.00 0.00 O ATOM 0 H GLU A 38 3.129 -8.346 7.505 1.00 0.00 H new ATOM 0 HA GLU A 38 0.335 -8.755 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.404 -6.527 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.954 -6.803 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.919 -7.233 6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.563 -5.694 7.461 1.00 0.00 H new ATOM 583 N PRO A 39 -0.826 -9.605 6.354 1.00 0.00 N ATOM 584 CA PRO A 39 -1.492 -10.263 5.205 1.00 0.00 C ATOM 585 C PRO A 39 -1.611 -9.301 4.019 1.00 0.00 C ATOM 586 O PRO A 39 -2.077 -8.188 4.153 1.00 0.00 O ATOM 587 CB PRO A 39 -2.873 -10.611 5.770 1.00 0.00 C ATOM 588 CG PRO A 39 -2.946 -10.133 7.233 1.00 0.00 C ATOM 589 CD PRO A 39 -1.620 -9.452 7.597 1.00 0.00 C ATOM 0 HA PRO A 39 -0.949 -11.129 4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.654 -10.134 5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.043 -11.686 5.715 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.775 -9.438 7.362 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.132 -10.977 7.897 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.762 -8.404 7.861 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.138 -9.933 8.448 1.00 0.00 H new ATOM 597 N SER A 40 -1.195 -9.726 2.857 1.00 0.00 N ATOM 598 CA SER A 40 -1.287 -8.840 1.659 1.00 0.00 C ATOM 599 C SER A 40 -0.601 -7.499 1.932 1.00 0.00 C ATOM 600 O SER A 40 0.085 -7.332 2.921 1.00 0.00 O ATOM 601 CB SER A 40 -2.785 -8.638 1.433 1.00 0.00 C ATOM 602 OG SER A 40 -3.446 -9.894 1.521 1.00 0.00 O ATOM 0 H SER A 40 -0.795 -10.648 2.684 1.00 0.00 H new ATOM 0 HA SER A 40 -0.795 -9.274 0.788 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.187 -7.949 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.960 -8.189 0.455 1.00 0.00 H new ATOM 0 HG SER A 40 -4.407 -9.768 1.378 1.00 0.00 H new ATOM 608 N THR A 41 -0.784 -6.544 1.062 1.00 0.00 N ATOM 609 CA THR A 41 -0.144 -5.212 1.267 1.00 0.00 C ATOM 610 C THR A 41 -0.867 -4.144 0.441 1.00 0.00 C ATOM 611 O THR A 41 -1.262 -4.378 -0.684 1.00 0.00 O ATOM 612 CB THR A 41 1.295 -5.386 0.778 1.00 0.00 C ATOM 613 OG1 THR A 41 1.902 -6.466 1.473 1.00 0.00 O ATOM 614 CG2 THR A 41 2.085 -4.102 1.039 1.00 0.00 C ATOM 0 H THR A 41 -1.349 -6.628 0.217 1.00 0.00 H new ATOM 0 HA THR A 41 -0.185 -4.889 2.307 1.00 0.00 H new ATOM 0 HB THR A 41 1.292 -5.596 -0.291 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.541 -6.513 2.383 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.110 -4.228 0.690 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.619 -3.273 0.505 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.089 -3.888 2.108 1.00 0.00 H new ATOM 622 N ILE A 42 -1.043 -2.972 0.990 1.00 0.00 N ATOM 623 CA ILE A 42 -1.741 -1.891 0.234 1.00 0.00 C ATOM 624 C ILE A 42 -0.782 -0.733 -0.042 1.00 0.00 C ATOM 625 O ILE A 42 -0.185 -0.180 0.861 1.00 0.00 O ATOM 626 CB ILE A 42 -2.886 -1.438 1.150 1.00 0.00 C ATOM 627 CG1 ILE A 42 -4.068 -2.399 0.989 1.00 0.00 C ATOM 628 CG2 ILE A 42 -3.328 -0.016 0.776 1.00 0.00 C ATOM 629 CD1 ILE A 42 -5.318 -1.790 1.628 1.00 0.00 C ATOM 0 H ILE A 42 -0.734 -2.716 1.928 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.107 -2.235 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.543 -1.442 2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.247 -2.596 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.838 -3.356 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.141 0.297 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.487 0.668 0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.670 -0.002 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.157 -2.476 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.136 -1.615 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.552 -0.844 1.140 1.00 0.00 H new ATOM 641 N PHE A 43 -0.643 -0.349 -1.279 1.00 0.00 N ATOM 642 CA PHE A 43 0.262 0.788 -1.603 1.00 0.00 C ATOM 643 C PHE A 43 -0.554 2.078 -1.694 1.00 0.00 C ATOM 644 O PHE A 43 -1.661 2.089 -2.201 1.00 0.00 O ATOM 645 CB PHE A 43 0.874 0.446 -2.961 1.00 0.00 C ATOM 646 CG PHE A 43 1.861 -0.686 -2.809 1.00 0.00 C ATOM 647 CD1 PHE A 43 1.420 -1.947 -2.391 1.00 0.00 C ATOM 648 CD2 PHE A 43 3.218 -0.477 -3.088 1.00 0.00 C ATOM 649 CE1 PHE A 43 2.334 -2.999 -2.253 1.00 0.00 C ATOM 650 CE2 PHE A 43 4.131 -1.528 -2.949 1.00 0.00 C ATOM 651 CZ PHE A 43 3.690 -2.789 -2.532 1.00 0.00 C ATOM 0 H PHE A 43 -1.115 -0.772 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 43 1.031 0.937 -0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.089 0.164 -3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.373 1.322 -3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.374 -2.109 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.559 0.496 -3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.993 -3.972 -1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.177 -1.366 -3.164 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.395 -3.600 -2.425 1.00 0.00 H new ATOM 661 N TYR A 44 -0.021 3.161 -1.206 1.00 0.00 N ATOM 662 CA TYR A 44 -0.767 4.448 -1.261 1.00 0.00 C ATOM 663 C TYR A 44 -0.045 5.447 -2.164 1.00 0.00 C ATOM 664 O TYR A 44 1.103 5.775 -1.937 1.00 0.00 O ATOM 665 CB TYR A 44 -0.758 4.976 0.170 1.00 0.00 C ATOM 666 CG TYR A 44 -1.630 4.136 1.069 1.00 0.00 C ATOM 667 CD1 TYR A 44 -2.740 3.446 0.563 1.00 0.00 C ATOM 668 CD2 TYR A 44 -1.329 4.070 2.431 1.00 0.00 C ATOM 669 CE1 TYR A 44 -3.540 2.691 1.431 1.00 0.00 C ATOM 670 CE2 TYR A 44 -2.130 3.322 3.295 1.00 0.00 C ATOM 671 CZ TYR A 44 -3.236 2.631 2.796 1.00 0.00 C ATOM 672 OH TYR A 44 -4.029 1.889 3.647 1.00 0.00 O ATOM 0 H TYR A 44 0.900 3.211 -0.771 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.773 4.309 -1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.263 4.981 0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.108 6.008 0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.977 3.496 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.472 4.601 2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.394 2.154 1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.895 3.278 4.348 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.678 1.953 4.560 1.00 0.00 H new ATOM 682 N LYS A 45 -0.702 5.953 -3.170 1.00 0.00 N ATOM 683 CA LYS A 45 -0.021 6.949 -4.047 1.00 0.00 C ATOM 684 C LYS A 45 -0.503 8.366 -3.734 1.00 0.00 C ATOM 685 O LYS A 45 -1.618 8.740 -4.030 1.00 0.00 O ATOM 686 CB LYS A 45 -0.367 6.567 -5.481 1.00 0.00 C ATOM 687 CG LYS A 45 0.893 6.064 -6.181 1.00 0.00 C ATOM 688 CD LYS A 45 0.533 5.580 -7.584 1.00 0.00 C ATOM 689 CE LYS A 45 1.751 5.719 -8.499 1.00 0.00 C ATOM 690 NZ LYS A 45 1.224 6.335 -9.748 1.00 0.00 N ATOM 0 H LYS A 45 -1.664 5.726 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 45 1.057 6.940 -3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.136 5.794 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.774 7.428 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.634 6.861 -6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.342 5.253 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.207 4.540 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.300 6.162 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.518 6.345 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.208 4.750 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.007 6.769 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.774 5.603 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.523 7.064 -9.506 1.00 0.00 H new ATOM 704 N CYS A 46 0.342 9.158 -3.144 1.00 0.00 N ATOM 705 CA CYS A 46 -0.043 10.562 -2.813 1.00 0.00 C ATOM 706 C CYS A 46 -0.616 11.247 -4.062 1.00 0.00 C ATOM 707 O CYS A 46 -0.129 11.067 -5.160 1.00 0.00 O ATOM 708 CB CYS A 46 1.274 11.208 -2.356 1.00 0.00 C ATOM 709 SG CYS A 46 1.284 12.992 -2.687 1.00 0.00 S ATOM 0 H CYS A 46 1.290 8.896 -2.873 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.814 10.639 -2.046 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.416 11.033 -1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.111 10.736 -2.871 1.00 0.00 H new ATOM 715 N THR A 47 -1.654 12.026 -3.901 1.00 0.00 N ATOM 716 CA THR A 47 -2.261 12.714 -5.079 1.00 0.00 C ATOM 717 C THR A 47 -1.645 14.103 -5.263 1.00 0.00 C ATOM 718 O THR A 47 -2.343 15.081 -5.438 1.00 0.00 O ATOM 719 CB THR A 47 -3.753 12.831 -4.753 1.00 0.00 C ATOM 720 OG1 THR A 47 -3.953 13.910 -3.851 1.00 0.00 O ATOM 721 CG2 THR A 47 -4.251 11.533 -4.115 1.00 0.00 C ATOM 0 H THR A 47 -2.107 12.215 -3.007 1.00 0.00 H new ATOM 0 HA THR A 47 -2.088 12.165 -6.004 1.00 0.00 H new ATOM 0 HB THR A 47 -4.309 13.012 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.659 14.746 -4.270 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.313 11.624 -3.886 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.099 10.705 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.697 11.343 -3.196 1.00 0.00 H new ATOM 729 N LYS A 48 -0.345 14.199 -5.230 1.00 0.00 N ATOM 730 CA LYS A 48 0.308 15.527 -5.409 1.00 0.00 C ATOM 731 C LYS A 48 1.662 15.361 -6.103 1.00 0.00 C ATOM 732 O LYS A 48 1.837 15.739 -7.245 1.00 0.00 O ATOM 733 CB LYS A 48 0.499 16.080 -3.996 1.00 0.00 C ATOM 734 CG LYS A 48 1.226 17.426 -4.071 1.00 0.00 C ATOM 735 CD LYS A 48 0.635 18.387 -3.037 1.00 0.00 C ATOM 736 CE LYS A 48 -0.705 18.924 -3.546 1.00 0.00 C ATOM 737 NZ LYS A 48 -0.597 20.405 -3.426 1.00 0.00 N ATOM 0 H LYS A 48 0.293 13.416 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.291 16.195 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.468 16.203 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.073 15.377 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.291 17.286 -3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.129 17.848 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.495 17.873 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.324 19.212 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.884 18.624 -4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.535 18.539 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.479 20.845 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.433 20.662 -2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.197 20.743 -4.006 1.00 0.00 H new ATOM 751 N CYS A 49 2.620 14.797 -5.422 1.00 0.00 N ATOM 752 CA CYS A 49 3.961 14.607 -6.043 1.00 0.00 C ATOM 753 C CYS A 49 4.060 13.218 -6.675 1.00 0.00 C ATOM 754 O CYS A 49 4.955 12.940 -7.448 1.00 0.00 O ATOM 755 CB CYS A 49 4.958 14.748 -4.891 1.00 0.00 C ATOM 756 SG CYS A 49 4.871 13.287 -3.826 1.00 0.00 S ATOM 0 H CYS A 49 2.533 14.460 -4.463 1.00 0.00 H new ATOM 0 HA CYS A 49 4.154 15.329 -6.836 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.968 14.864 -5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.736 15.645 -4.313 1.00 0.00 H new ATOM 762 N GLY A 50 3.147 12.344 -6.354 1.00 0.00 N ATOM 763 CA GLY A 50 3.193 10.977 -6.937 1.00 0.00 C ATOM 764 C GLY A 50 4.040 10.068 -6.046 1.00 0.00 C ATOM 765 O GLY A 50 4.786 9.238 -6.527 1.00 0.00 O ATOM 0 H GLY A 50 2.372 12.518 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.184 10.576 -7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.614 11.013 -7.942 1.00 0.00 H new ATOM 769 N HIS A 51 3.925 10.201 -4.750 1.00 0.00 N ATOM 770 CA HIS A 51 4.718 9.323 -3.849 1.00 0.00 C ATOM 771 C HIS A 51 3.960 8.018 -3.642 1.00 0.00 C ATOM 772 O HIS A 51 2.748 8.006 -3.584 1.00 0.00 O ATOM 773 CB HIS A 51 4.840 10.094 -2.534 1.00 0.00 C ATOM 774 CG HIS A 51 5.734 9.339 -1.590 1.00 0.00 C ATOM 775 ND1 HIS A 51 6.770 8.534 -2.039 1.00 0.00 N ATOM 776 CD2 HIS A 51 5.764 9.260 -0.220 1.00 0.00 C ATOM 777 CE1 HIS A 51 7.374 8.011 -0.957 1.00 0.00 C ATOM 778 NE2 HIS A 51 6.800 8.421 0.178 1.00 0.00 N ATOM 0 H HIS A 51 3.320 10.876 -4.282 1.00 0.00 H new ATOM 0 HA HIS A 51 5.701 9.077 -4.252 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.247 11.088 -2.720 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.855 10.231 -2.088 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.086 9.771 0.448 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.220 7.341 -1.000 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.065 8.172 1.131 1.00 0.00 H new ATOM 786 N THR A 52 4.645 6.918 -3.545 1.00 0.00 N ATOM 787 CA THR A 52 3.924 5.631 -3.357 1.00 0.00 C ATOM 788 C THR A 52 4.666 4.732 -2.367 1.00 0.00 C ATOM 789 O THR A 52 5.776 4.301 -2.612 1.00 0.00 O ATOM 790 CB THR A 52 3.898 4.988 -4.745 1.00 0.00 C ATOM 791 OG1 THR A 52 3.420 5.932 -5.693 1.00 0.00 O ATOM 792 CG2 THR A 52 2.976 3.768 -4.725 1.00 0.00 C ATOM 0 H THR A 52 5.662 6.852 -3.587 1.00 0.00 H new ATOM 0 HA THR A 52 2.923 5.781 -2.951 1.00 0.00 H new ATOM 0 HB THR A 52 4.905 4.675 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.033 5.968 -6.457 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.957 3.310 -5.714 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.345 3.045 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.968 4.078 -4.450 1.00 0.00 H new ATOM 800 N TRP A 53 4.050 4.429 -1.259 1.00 0.00 N ATOM 801 CA TRP A 53 4.704 3.539 -0.262 1.00 0.00 C ATOM 802 C TRP A 53 3.796 2.336 0.006 1.00 0.00 C ATOM 803 O TRP A 53 3.022 1.942 -0.844 1.00 0.00 O ATOM 804 CB TRP A 53 4.904 4.395 0.994 1.00 0.00 C ATOM 805 CG TRP A 53 3.621 5.058 1.388 1.00 0.00 C ATOM 806 CD1 TRP A 53 2.865 4.705 2.451 1.00 0.00 C ATOM 807 CD2 TRP A 53 2.940 6.184 0.757 1.00 0.00 C ATOM 808 NE1 TRP A 53 1.764 5.538 2.514 1.00 0.00 N ATOM 809 CE2 TRP A 53 1.762 6.464 1.490 1.00 0.00 C ATOM 810 CE3 TRP A 53 3.222 6.981 -0.368 1.00 0.00 C ATOM 811 CZ2 TRP A 53 0.896 7.494 1.120 1.00 0.00 C ATOM 812 CZ3 TRP A 53 2.352 8.019 -0.742 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.192 8.272 0.001 1.00 0.00 C ATOM 0 H TRP A 53 3.120 4.760 -1.001 1.00 0.00 H new ATOM 0 HA TRP A 53 5.661 3.146 -0.606 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.264 3.771 1.812 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.668 5.150 0.809 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.085 3.902 3.139 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.040 5.476 3.230 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.114 6.793 -0.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.003 7.687 1.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.579 8.625 -1.607 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.526 9.070 -0.293 1.00 0.00 H new ATOM 824 N ARG A 54 3.879 1.737 1.160 1.00 0.00 N ATOM 825 CA ARG A 54 3.010 0.554 1.425 1.00 0.00 C ATOM 826 C ARG A 54 2.269 0.697 2.756 1.00 0.00 C ATOM 827 O ARG A 54 2.621 1.500 3.598 1.00 0.00 O ATOM 828 CB ARG A 54 3.967 -0.637 1.470 1.00 0.00 C ATOM 829 CG ARG A 54 4.682 -0.770 0.124 1.00 0.00 C ATOM 830 CD ARG A 54 6.153 -0.384 0.288 1.00 0.00 C ATOM 831 NE ARG A 54 6.914 -1.545 -0.251 1.00 0.00 N ATOM 832 CZ ARG A 54 8.207 -1.465 -0.398 1.00 0.00 C ATOM 833 NH1 ARG A 54 8.716 -0.612 -1.245 1.00 0.00 N ATOM 834 NH2 ARG A 54 8.992 -2.238 0.301 1.00 0.00 N ATOM 0 H ARG A 54 4.500 2.008 1.922 1.00 0.00 H new ATOM 0 HA ARG A 54 2.242 0.440 0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.696 -0.501 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.416 -1.551 1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.602 -1.793 -0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.207 -0.128 -0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.385 0.530 -0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.400 -0.201 1.334 1.00 0.00 H new ATOM 0 HE ARG A 54 6.424 -2.403 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.102 -0.008 -1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.728 -0.549 -1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.594 -2.905 0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.004 -2.175 0.186 1.00 0.00 H new ATOM 848 N SER A 55 1.240 -0.085 2.944 1.00 0.00 N ATOM 849 CA SER A 55 0.459 -0.016 4.210 1.00 0.00 C ATOM 850 C SER A 55 0.554 -1.346 4.962 1.00 0.00 C ATOM 851 O SER A 55 -0.406 -2.084 5.058 1.00 0.00 O ATOM 852 CB SER A 55 -0.980 0.241 3.764 1.00 0.00 C ATOM 853 OG SER A 55 -0.975 1.129 2.654 1.00 0.00 O ATOM 0 H SER A 55 0.906 -0.773 2.269 1.00 0.00 H new ATOM 0 HA SER A 55 0.827 0.758 4.884 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.462 -0.698 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.557 0.669 4.584 1.00 0.00 H new ATOM 0 HG SER A 55 -1.589 1.873 2.827 1.00 0.00 H new ATOM 859 N TYR A 56 1.703 -1.659 5.494 1.00 0.00 N ATOM 860 CA TYR A 56 1.852 -2.943 6.237 1.00 0.00 C ATOM 861 C TYR A 56 1.003 -2.918 7.511 1.00 0.00 C ATOM 862 O TYR A 56 1.517 -2.834 8.609 1.00 0.00 O ATOM 863 CB TYR A 56 3.339 -3.031 6.582 1.00 0.00 C ATOM 864 CG TYR A 56 4.104 -3.546 5.385 1.00 0.00 C ATOM 865 CD1 TYR A 56 3.746 -4.765 4.796 1.00 0.00 C ATOM 866 CD2 TYR A 56 5.172 -2.804 4.863 1.00 0.00 C ATOM 867 CE1 TYR A 56 4.455 -5.242 3.688 1.00 0.00 C ATOM 868 CE2 TYR A 56 5.881 -3.282 3.754 1.00 0.00 C ATOM 869 CZ TYR A 56 5.522 -4.501 3.167 1.00 0.00 C ATOM 870 OH TYR A 56 6.220 -4.972 2.074 1.00 0.00 O ATOM 0 H TYR A 56 2.544 -1.083 5.447 1.00 0.00 H new ATOM 0 HA TYR A 56 1.519 -3.800 5.652 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.715 -2.050 6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.487 -3.694 7.434 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.922 -5.337 5.197 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.448 -1.863 5.316 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.179 -6.182 3.235 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.704 -2.710 3.352 1.00 0.00 H new ATOM 0 HH TYR A 56 6.928 -4.336 1.839 1.00 0.00 H new ATOM 880 N GLU A 57 -0.293 -2.988 7.372 1.00 0.00 N ATOM 881 CA GLU A 57 -1.176 -2.968 8.575 1.00 0.00 C ATOM 882 C GLU A 57 -2.497 -3.681 8.272 1.00 0.00 C ATOM 883 O GLU A 57 -3.463 -3.416 8.970 1.00 0.00 O ATOM 884 CB GLU A 57 -1.421 -1.487 8.864 1.00 0.00 C ATOM 885 CG GLU A 57 -2.296 -0.887 7.761 1.00 0.00 C ATOM 886 CD GLU A 57 -2.501 0.606 8.028 1.00 0.00 C ATOM 887 OE1 GLU A 57 -1.510 1.313 8.107 1.00 0.00 O ATOM 888 OE2 GLU A 57 -3.644 1.015 8.151 1.00 0.00 O ATOM 889 OXT GLU A 57 -2.519 -4.478 7.350 1.00 0.00 O ATOM 0 H GLU A 57 -0.779 -3.058 6.478 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.726 -3.479 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.908 -1.371 9.832 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.471 -0.955 8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.825 -1.032 6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.259 -1.397 7.728 1.00 0.00 H new TER 896 GLU A 57 HETATM 897 ZN ZN A 58 3.400 13.685 -2.104 1.00 0.00 ZN