USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 358 hydrogens (1 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 35 TYR OH : rot -56:sc= 0.572 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0.454 USER MOD Set 2.1: A 17 LYS NZ :NH3+ -118:sc= 0.879 (180deg=0.837) USER MOD Set 2.2: A 20 GLN : amide:sc= 0.259 K(o=3,f=1.8) USER MOD Set 2.3: A 36 THR OG1 : rot 31:sc= 1.88 USER MOD Single : A 1 ASP N :NH3+ -166:sc= 2.26 (180deg=2.02) USER MOD Single : A 2 GLN : amide:sc= 0.0058 X(o=0.0058,f=0) USER MOD Single : A 4 SER OG : rot 119:sc= 1.13 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= 2.15 (180deg=1.25) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.604 K(o=0.6,f=-7.2!) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.13) USER MOD Single : A 26 SER OG : rot -41:sc= 0.9 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.915 K(o=0.91,f=0.085) USER MOD Single : A 30 SER OG : rot 180:sc= 0.109 USER MOD Single : A 33 THR OG1 : rot -2:sc= 0.192 USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= 1.54 (180deg=0.357) USER MOD Single : A 42 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.6) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.276 -4.794 -4.079 1.00 0.00 N ATOM 2 CA ASP A 1 9.795 -4.420 -5.406 1.00 0.00 C ATOM 3 C ASP A 1 8.689 -3.938 -6.342 1.00 0.00 C ATOM 4 O ASP A 1 8.903 -3.003 -7.114 1.00 0.00 O ATOM 5 CB ASP A 1 10.568 -5.579 -6.041 1.00 0.00 C ATOM 6 CG ASP A 1 11.138 -5.172 -7.396 1.00 0.00 C ATOM 7 OD1 ASP A 1 12.164 -4.460 -7.388 1.00 0.00 O ATOM 8 OD2 ASP A 1 10.524 -5.562 -8.412 1.00 0.00 O ATOM 0 H1 ASP A 1 10.067 -4.886 -3.410 1.00 0.00 H new ATOM 0 H2 ASP A 1 8.621 -4.059 -3.743 1.00 0.00 H new ATOM 0 H3 ASP A 1 8.773 -5.702 -4.146 1.00 0.00 H new ATOM 0 HA ASP A 1 10.481 -3.586 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 1 11.377 -5.888 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.909 -6.439 -6.162 1.00 0.00 H new ATOM 15 N GLN A 2 7.506 -4.560 -6.272 1.00 0.00 N ATOM 16 CA GLN A 2 6.352 -4.217 -7.092 1.00 0.00 C ATOM 17 C GLN A 2 5.640 -2.990 -6.507 1.00 0.00 C ATOM 18 O GLN A 2 4.458 -3.046 -6.178 1.00 0.00 O ATOM 19 CB GLN A 2 5.441 -5.450 -7.174 1.00 0.00 C ATOM 20 CG GLN A 2 4.447 -5.368 -8.336 1.00 0.00 C ATOM 21 CD GLN A 2 3.508 -6.572 -8.335 1.00 0.00 C ATOM 22 OE1 GLN A 2 3.551 -7.398 -9.242 1.00 0.00 O ATOM 23 NE2 GLN A 2 2.659 -6.676 -7.310 1.00 0.00 N ATOM 0 H GLN A 2 7.327 -5.331 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 2 6.653 -3.946 -8.104 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.054 -6.344 -7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 2 4.893 -5.556 -6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.866 -4.449 -8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.989 -5.325 -9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 2 2.656 -5.967 -6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.014 -7.464 -7.260 1.00 0.00 H new ATOM 32 N GLU A 3 6.372 -1.878 -6.372 1.00 0.00 N ATOM 33 CA GLU A 3 5.907 -0.664 -5.722 1.00 0.00 C ATOM 34 C GLU A 3 5.075 0.160 -6.705 1.00 0.00 C ATOM 35 O GLU A 3 5.532 1.177 -7.225 1.00 0.00 O ATOM 36 CB GLU A 3 7.111 0.120 -5.171 1.00 0.00 C ATOM 37 CG GLU A 3 8.059 -0.736 -4.322 1.00 0.00 C ATOM 38 CD GLU A 3 7.322 -1.549 -3.263 1.00 0.00 C ATOM 39 OE1 GLU A 3 6.608 -0.920 -2.453 1.00 0.00 O ATOM 40 OE2 GLU A 3 7.487 -2.789 -3.290 1.00 0.00 O ATOM 0 H GLU A 3 7.327 -1.804 -6.723 1.00 0.00 H new ATOM 0 HA GLU A 3 5.263 -0.910 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.668 0.548 -6.004 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.748 0.953 -4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.614 -1.412 -4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.790 -0.090 -3.836 1.00 0.00 H new ATOM 47 N SER A 4 3.848 -0.298 -6.966 1.00 0.00 N ATOM 48 CA SER A 4 2.940 0.340 -7.903 1.00 0.00 C ATOM 49 C SER A 4 2.425 1.652 -7.319 1.00 0.00 C ATOM 50 O SER A 4 2.000 1.693 -6.165 1.00 0.00 O ATOM 51 CB SER A 4 1.785 -0.605 -8.236 1.00 0.00 C ATOM 52 OG SER A 4 2.287 -1.796 -8.803 1.00 0.00 O ATOM 0 H SER A 4 3.460 -1.131 -6.524 1.00 0.00 H new ATOM 0 HA SER A 4 3.473 0.565 -8.827 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.218 -0.833 -7.333 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.098 -0.123 -8.931 1.00 0.00 H new ATOM 0 HG SER A 4 2.039 -2.557 -8.238 1.00 0.00 H new ATOM 58 N CYS A 5 2.476 2.718 -8.130 1.00 0.00 N ATOM 59 CA CYS A 5 2.022 4.060 -7.782 1.00 0.00 C ATOM 60 C CYS A 5 2.739 4.602 -6.544 1.00 0.00 C ATOM 61 O CYS A 5 2.132 5.266 -5.705 1.00 0.00 O ATOM 62 CB CYS A 5 0.498 4.083 -7.631 1.00 0.00 C ATOM 63 SG CYS A 5 -0.464 3.687 -9.110 1.00 0.00 S ATOM 0 H CYS A 5 2.848 2.661 -9.078 1.00 0.00 H new ATOM 0 HA CYS A 5 2.285 4.732 -8.599 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.222 3.379 -6.846 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.204 5.075 -7.288 1.00 0.00 H new ATOM 68 N LYS A 6 4.043 4.331 -6.456 1.00 0.00 N ATOM 69 CA LYS A 6 4.926 4.819 -5.410 1.00 0.00 C ATOM 70 C LYS A 6 6.162 5.365 -6.116 1.00 0.00 C ATOM 71 O LYS A 6 7.239 4.773 -6.065 1.00 0.00 O ATOM 72 CB LYS A 6 5.263 3.673 -4.453 1.00 0.00 C ATOM 73 CG LYS A 6 4.035 3.235 -3.646 1.00 0.00 C ATOM 74 CD LYS A 6 4.345 1.958 -2.860 1.00 0.00 C ATOM 75 CE LYS A 6 3.136 1.478 -2.054 1.00 0.00 C ATOM 76 NZ LYS A 6 2.024 1.052 -2.923 1.00 0.00 N ATOM 0 H LYS A 6 4.524 3.745 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 6 4.469 5.604 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.648 2.826 -5.020 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.054 3.987 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.739 4.029 -2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.193 3.062 -4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.656 1.174 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.182 2.140 -2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.434 0.648 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.796 2.280 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.345 0.492 -2.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.546 1.890 -3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.395 0.473 -3.703 1.00 0.00 H new ATOM 90 N GLY A 7 5.967 6.477 -6.827 1.00 0.00 N ATOM 91 CA GLY A 7 6.945 7.037 -7.740 1.00 0.00 C ATOM 92 C GLY A 7 7.167 6.072 -8.899 1.00 0.00 C ATOM 93 O GLY A 7 8.301 5.669 -9.154 1.00 0.00 O ATOM 0 H GLY A 7 5.104 7.019 -6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.599 8.000 -8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.885 7.218 -7.218 1.00 0.00 H new ATOM 97 N ARG A 8 6.079 5.677 -9.576 1.00 0.00 N ATOM 98 CA ARG A 8 6.125 4.672 -10.624 1.00 0.00 C ATOM 99 C ARG A 8 4.988 4.885 -11.623 1.00 0.00 C ATOM 100 O ARG A 8 5.248 5.209 -12.780 1.00 0.00 O ATOM 101 CB ARG A 8 6.115 3.270 -9.998 1.00 0.00 C ATOM 102 CG ARG A 8 6.373 2.204 -11.070 1.00 0.00 C ATOM 103 CD ARG A 8 6.525 0.804 -10.467 1.00 0.00 C ATOM 104 NE ARG A 8 7.682 0.725 -9.565 1.00 0.00 N ATOM 105 CZ ARG A 8 8.136 -0.404 -8.999 1.00 0.00 C ATOM 106 NH1 ARG A 8 7.561 -1.585 -9.263 1.00 0.00 N ATOM 107 NH2 ARG A 8 9.179 -0.355 -8.158 1.00 0.00 N ATOM 0 H ARG A 8 5.146 6.052 -9.405 1.00 0.00 H new ATOM 0 HA ARG A 8 7.053 4.769 -11.188 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.877 3.206 -9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.154 3.086 -9.517 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.550 2.203 -11.785 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.276 2.459 -11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.619 0.542 -9.921 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.637 0.073 -11.268 1.00 0.00 H new ATOM 0 HE ARG A 8 8.176 1.592 -9.353 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.767 -1.634 -9.902 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.917 -2.435 -8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.625 0.538 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.527 -1.211 -7.726 1.00 0.00 H new ATOM 121 N CYS A 9 3.734 4.692 -11.192 1.00 0.00 N ATOM 122 CA CYS A 9 2.580 4.808 -12.079 1.00 0.00 C ATOM 123 C CYS A 9 2.256 6.277 -12.357 1.00 0.00 C ATOM 124 O CYS A 9 2.844 7.168 -11.745 1.00 0.00 O ATOM 125 CB CYS A 9 1.380 4.045 -11.505 1.00 0.00 C ATOM 126 SG CYS A 9 0.232 5.018 -10.497 1.00 0.00 S ATOM 0 H CYS A 9 3.498 4.454 -10.229 1.00 0.00 H new ATOM 0 HA CYS A 9 2.824 4.349 -13.037 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.824 3.606 -12.333 1.00 0.00 H new ATOM 0 HB3 CYS A 9 1.755 3.220 -10.900 1.00 0.00 H new ATOM 131 N THR A 10 1.337 6.521 -13.300 1.00 0.00 N ATOM 132 CA THR A 10 1.016 7.846 -13.813 1.00 0.00 C ATOM 133 C THR A 10 -0.495 8.093 -13.745 1.00 0.00 C ATOM 134 O THR A 10 -1.106 8.489 -14.736 1.00 0.00 O ATOM 135 CB THR A 10 1.567 7.967 -15.243 1.00 0.00 C ATOM 136 OG1 THR A 10 1.098 6.893 -16.034 1.00 0.00 O ATOM 137 CG2 THR A 10 3.100 7.957 -15.250 1.00 0.00 C ATOM 0 H THR A 10 0.786 5.780 -13.734 1.00 0.00 H new ATOM 0 HA THR A 10 1.484 8.616 -13.200 1.00 0.00 H new ATOM 0 HB THR A 10 1.219 8.915 -15.654 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.452 6.978 -16.944 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.460 8.044 -16.275 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.472 8.796 -14.662 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.460 7.024 -14.817 1.00 0.00 H new ATOM 145 N GLU A 11 -1.097 7.875 -12.568 1.00 0.00 N ATOM 146 CA GLU A 11 -2.526 8.056 -12.351 1.00 0.00 C ATOM 147 C GLU A 11 -2.809 9.461 -11.816 1.00 0.00 C ATOM 148 O GLU A 11 -3.450 10.259 -12.497 1.00 0.00 O ATOM 149 CB GLU A 11 -3.052 6.979 -11.397 1.00 0.00 C ATOM 150 CG GLU A 11 -3.006 5.592 -12.050 1.00 0.00 C ATOM 151 CD GLU A 11 -3.351 4.494 -11.051 1.00 0.00 C ATOM 152 OE1 GLU A 11 -4.099 4.799 -10.096 1.00 0.00 O ATOM 153 OE2 GLU A 11 -2.855 3.364 -11.245 1.00 0.00 O ATOM 0 H GLU A 11 -0.595 7.565 -11.736 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.049 7.951 -13.302 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.456 6.975 -10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.076 7.214 -11.107 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.705 5.558 -12.885 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.012 5.414 -12.459 1.00 0.00 H new ATOM 160 N GLY A 12 -2.348 9.759 -10.596 1.00 0.00 N ATOM 161 CA GLY A 12 -2.563 11.043 -9.952 1.00 0.00 C ATOM 162 C GLY A 12 -1.541 11.247 -8.840 1.00 0.00 C ATOM 163 O GLY A 12 -0.386 11.563 -9.120 1.00 0.00 O ATOM 0 H GLY A 12 -1.811 9.103 -10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.480 11.845 -10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.572 11.089 -9.542 1.00 0.00 H new ATOM 167 N PHE A 13 -1.958 11.062 -7.581 1.00 0.00 N ATOM 168 CA PHE A 13 -1.066 11.149 -6.434 1.00 0.00 C ATOM 169 C PHE A 13 -0.322 9.823 -6.300 1.00 0.00 C ATOM 170 O PHE A 13 -0.655 8.982 -5.466 1.00 0.00 O ATOM 171 CB PHE A 13 -1.855 11.518 -5.173 1.00 0.00 C ATOM 172 CG PHE A 13 -0.989 11.742 -3.948 1.00 0.00 C ATOM 173 CD1 PHE A 13 -0.184 12.893 -3.865 1.00 0.00 C ATOM 174 CD2 PHE A 13 -0.988 10.814 -2.890 1.00 0.00 C ATOM 175 CE1 PHE A 13 0.608 13.121 -2.729 1.00 0.00 C ATOM 176 CE2 PHE A 13 -0.205 11.051 -1.748 1.00 0.00 C ATOM 177 CZ PHE A 13 0.589 12.205 -1.665 1.00 0.00 C ATOM 0 H PHE A 13 -2.925 10.848 -7.336 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.330 11.940 -6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.431 12.422 -5.369 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.571 10.724 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.176 13.604 -4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.589 9.919 -2.956 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.232 14.001 -2.673 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.214 10.343 -0.932 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.185 12.388 -0.783 1.00 0.00 H new ATOM 187 N ASN A 14 0.685 9.642 -7.159 1.00 0.00 N ATOM 188 CA ASN A 14 1.428 8.400 -7.306 1.00 0.00 C ATOM 189 C ASN A 14 2.571 8.375 -6.297 1.00 0.00 C ATOM 190 O ASN A 14 3.734 8.256 -6.678 1.00 0.00 O ATOM 191 CB ASN A 14 1.938 8.297 -8.749 1.00 0.00 C ATOM 192 CG ASN A 14 0.817 8.547 -9.752 1.00 0.00 C ATOM 193 OD1 ASN A 14 -0.263 7.977 -9.636 1.00 0.00 O ATOM 194 ND2 ASN A 14 1.055 9.429 -10.722 1.00 0.00 N ATOM 0 H ASN A 14 1.010 10.379 -7.785 1.00 0.00 H new ATOM 0 HA ASN A 14 0.790 7.539 -7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.738 9.020 -8.907 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.365 7.308 -8.916 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.326 9.650 -11.400 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.966 9.883 -10.786 1.00 0.00 H new ATOM 201 N VAL A 15 2.231 8.521 -5.012 1.00 0.00 N ATOM 202 CA VAL A 15 3.178 8.660 -3.918 1.00 0.00 C ATOM 203 C VAL A 15 2.809 7.650 -2.837 1.00 0.00 C ATOM 204 O VAL A 15 3.594 6.748 -2.549 1.00 0.00 O ATOM 205 CB VAL A 15 3.166 10.108 -3.398 1.00 0.00 C ATOM 206 CG1 VAL A 15 4.143 10.280 -2.228 1.00 0.00 C ATOM 207 CG2 VAL A 15 3.540 11.099 -4.508 1.00 0.00 C ATOM 0 H VAL A 15 1.259 8.546 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 15 4.195 8.453 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 15 2.152 10.317 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.115 11.312 -1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.857 9.614 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.153 10.036 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.523 12.114 -4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.540 10.871 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.823 11.017 -5.325 1.00 0.00 H new ATOM 217 N ASP A 16 1.615 7.799 -2.248 1.00 0.00 N ATOM 218 CA ASP A 16 1.098 6.858 -1.270 1.00 0.00 C ATOM 219 C ASP A 16 0.550 5.643 -2.016 1.00 0.00 C ATOM 220 O ASP A 16 1.300 4.700 -2.257 1.00 0.00 O ATOM 221 CB ASP A 16 0.063 7.548 -0.371 1.00 0.00 C ATOM 222 CG ASP A 16 -0.567 6.577 0.623 1.00 0.00 C ATOM 223 OD1 ASP A 16 0.200 5.963 1.395 1.00 0.00 O ATOM 224 OD2 ASP A 16 -1.810 6.465 0.601 1.00 0.00 O ATOM 0 H ASP A 16 0.987 8.579 -2.443 1.00 0.00 H new ATOM 0 HA ASP A 16 1.884 6.507 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.540 8.364 0.172 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.717 7.991 -0.990 1.00 0.00 H new ATOM 229 N LYS A 17 -0.737 5.682 -2.394 1.00 0.00 N ATOM 230 CA LYS A 17 -1.437 4.641 -3.134 1.00 0.00 C ATOM 231 C LYS A 17 -1.044 3.256 -2.617 1.00 0.00 C ATOM 232 O LYS A 17 -0.368 2.489 -3.302 1.00 0.00 O ATOM 233 CB LYS A 17 -1.191 4.823 -4.637 1.00 0.00 C ATOM 234 CG LYS A 17 -2.365 4.275 -5.461 1.00 0.00 C ATOM 235 CD LYS A 17 -3.366 5.405 -5.727 1.00 0.00 C ATOM 236 CE LYS A 17 -4.703 4.902 -6.281 1.00 0.00 C ATOM 237 NZ LYS A 17 -4.542 4.116 -7.515 1.00 0.00 N ATOM 0 H LYS A 17 -1.337 6.478 -2.179 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.512 4.727 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.049 5.881 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.272 4.311 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.003 3.865 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.852 3.460 -4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.545 5.950 -4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.929 6.111 -6.433 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.198 4.291 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.354 5.754 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.037 4.592 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.531 4.033 -7.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.945 3.167 -7.377 1.00 0.00 H new ATOM 251 N LYS A 18 -1.438 2.978 -1.370 1.00 0.00 N ATOM 252 CA LYS A 18 -0.943 1.874 -0.558 1.00 0.00 C ATOM 253 C LYS A 18 -1.069 0.552 -1.309 1.00 0.00 C ATOM 254 O LYS A 18 -0.128 -0.240 -1.327 1.00 0.00 O ATOM 255 CB LYS A 18 -1.695 1.824 0.780 1.00 0.00 C ATOM 256 CG LYS A 18 -1.584 3.154 1.537 1.00 0.00 C ATOM 257 CD LYS A 18 -2.276 3.087 2.900 1.00 0.00 C ATOM 258 CE LYS A 18 -2.272 4.458 3.586 1.00 0.00 C ATOM 259 NZ LYS A 18 -3.101 5.451 2.876 1.00 0.00 N ATOM 0 H LYS A 18 -2.137 3.540 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 18 0.115 2.038 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.745 1.593 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.292 1.019 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.533 3.408 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.030 3.951 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.302 2.742 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.770 2.358 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.637 4.350 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.248 4.825 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.174 6.316 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.663 5.678 1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.051 5.060 2.717 1.00 0.00 H new ATOM 273 N CYS A 19 -2.214 0.358 -1.969 1.00 0.00 N ATOM 274 CA CYS A 19 -2.457 -0.741 -2.887 1.00 0.00 C ATOM 275 C CYS A 19 -2.719 -0.179 -4.279 1.00 0.00 C ATOM 276 O CYS A 19 -3.304 0.890 -4.431 1.00 0.00 O ATOM 277 CB CYS A 19 -3.658 -1.551 -2.393 1.00 0.00 C ATOM 278 SG CYS A 19 -4.433 -2.668 -3.596 1.00 0.00 S ATOM 0 H CYS A 19 -3.015 0.982 -1.872 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.588 -1.397 -2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.341 -2.142 -1.534 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.416 -0.854 -2.037 1.00 0.00 H new ATOM 283 N GLN A 20 -2.306 -0.942 -5.287 1.00 0.00 N ATOM 284 CA GLN A 20 -2.791 -0.907 -6.653 1.00 0.00 C ATOM 285 C GLN A 20 -2.490 -2.284 -7.240 1.00 0.00 C ATOM 286 O GLN A 20 -3.377 -2.942 -7.779 1.00 0.00 O ATOM 287 CB GLN A 20 -2.125 0.231 -7.441 1.00 0.00 C ATOM 288 CG GLN A 20 -2.500 0.224 -8.931 1.00 0.00 C ATOM 289 CD GLN A 20 -3.995 0.434 -9.166 1.00 0.00 C ATOM 290 OE1 GLN A 20 -4.795 -0.475 -8.961 1.00 0.00 O ATOM 291 NE2 GLN A 20 -4.387 1.628 -9.615 1.00 0.00 N ATOM 0 H GLN A 20 -1.577 -1.644 -5.158 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.860 -0.702 -6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.413 1.187 -7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.042 0.149 -7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.943 1.007 -9.445 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.197 -0.725 -9.373 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.699 2.363 -9.776 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.375 1.805 -9.797 1.00 0.00 H new ATOM 300 N CYS A 21 -1.237 -2.720 -7.077 1.00 0.00 N ATOM 301 CA CYS A 21 -0.777 -4.076 -7.310 1.00 0.00 C ATOM 302 C CYS A 21 0.556 -4.197 -6.578 1.00 0.00 C ATOM 303 O CYS A 21 1.607 -3.945 -7.163 1.00 0.00 O ATOM 304 CB CYS A 21 -0.642 -4.354 -8.813 1.00 0.00 C ATOM 305 SG CYS A 21 -0.089 -6.037 -9.196 1.00 0.00 S ATOM 0 H CYS A 21 -0.488 -2.102 -6.764 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.485 -4.816 -6.938 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.605 -4.179 -9.294 1.00 0.00 H new ATOM 0 HB3 CYS A 21 0.063 -3.643 -9.243 1.00 0.00 H new ATOM 310 N ASP A 22 0.504 -4.502 -5.274 1.00 0.00 N ATOM 311 CA ASP A 22 1.635 -4.335 -4.371 1.00 0.00 C ATOM 312 C ASP A 22 1.782 -5.542 -3.455 1.00 0.00 C ATOM 313 O ASP A 22 0.790 -6.111 -3.003 1.00 0.00 O ATOM 314 CB ASP A 22 1.453 -3.062 -3.539 1.00 0.00 C ATOM 315 CG ASP A 22 1.465 -1.814 -4.414 1.00 0.00 C ATOM 316 OD1 ASP A 22 0.392 -1.495 -4.968 1.00 0.00 O ATOM 317 OD2 ASP A 22 2.544 -1.190 -4.509 1.00 0.00 O ATOM 0 H ASP A 22 -0.331 -4.873 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 22 2.543 -4.248 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.511 -3.115 -2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.249 -2.995 -2.797 1.00 0.00 H new ATOM 322 N GLU A 23 3.039 -5.905 -3.177 1.00 0.00 N ATOM 323 CA GLU A 23 3.418 -7.028 -2.334 1.00 0.00 C ATOM 324 C GLU A 23 2.828 -6.890 -0.933 1.00 0.00 C ATOM 325 O GLU A 23 2.284 -7.852 -0.394 1.00 0.00 O ATOM 326 CB GLU A 23 4.945 -7.107 -2.259 1.00 0.00 C ATOM 327 CG GLU A 23 5.539 -7.559 -3.597 1.00 0.00 C ATOM 328 CD GLU A 23 7.051 -7.379 -3.629 1.00 0.00 C ATOM 329 OE1 GLU A 23 7.695 -7.690 -2.604 1.00 0.00 O ATOM 330 OE2 GLU A 23 7.543 -6.909 -4.677 1.00 0.00 O ATOM 0 H GLU A 23 3.844 -5.402 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 23 3.022 -7.944 -2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.350 -6.132 -1.988 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.238 -7.803 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.293 -8.607 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.087 -6.988 -4.408 1.00 0.00 H new ATOM 337 N LEU A 24 2.940 -5.696 -0.341 1.00 0.00 N ATOM 338 CA LEU A 24 2.501 -5.445 1.023 1.00 0.00 C ATOM 339 C LEU A 24 1.024 -5.793 1.208 1.00 0.00 C ATOM 340 O LEU A 24 0.645 -6.324 2.250 1.00 0.00 O ATOM 341 CB LEU A 24 2.831 -4.001 1.432 1.00 0.00 C ATOM 342 CG LEU A 24 2.019 -2.922 0.693 1.00 0.00 C ATOM 343 CD1 LEU A 24 0.824 -2.450 1.532 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.915 -1.717 0.401 1.00 0.00 C ATOM 0 H LEU A 24 3.340 -4.878 -0.802 1.00 0.00 H new ATOM 0 HA LEU A 24 3.050 -6.104 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.662 -3.894 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.892 -3.822 1.257 1.00 0.00 H new ATOM 0 HG LEU A 24 1.648 -3.359 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.271 -1.688 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.168 -3.296 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.182 -2.030 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.339 -0.954 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.292 -1.308 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.753 -2.029 -0.222 1.00 0.00 H new ATOM 356 N CYS A 25 0.200 -5.503 0.194 1.00 0.00 N ATOM 357 CA CYS A 25 -1.239 -5.683 0.264 1.00 0.00 C ATOM 358 C CYS A 25 -1.685 -7.001 -0.363 1.00 0.00 C ATOM 359 O CYS A 25 -2.772 -7.471 -0.040 1.00 0.00 O ATOM 360 CB CYS A 25 -1.948 -4.505 -0.392 1.00 0.00 C ATOM 361 SG CYS A 25 -3.706 -4.457 0.044 1.00 0.00 S ATOM 0 H CYS A 25 0.524 -5.135 -0.700 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.515 -5.723 1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.471 -3.575 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.843 -4.574 -1.475 1.00 0.00 H new ATOM 366 N SER A 26 -0.869 -7.625 -1.225 1.00 0.00 N ATOM 367 CA SER A 26 -1.178 -8.951 -1.749 1.00 0.00 C ATOM 368 C SER A 26 -1.268 -9.984 -0.618 1.00 0.00 C ATOM 369 O SER A 26 -1.926 -11.011 -0.768 1.00 0.00 O ATOM 370 CB SER A 26 -0.173 -9.373 -2.824 1.00 0.00 C ATOM 371 OG SER A 26 1.121 -9.535 -2.288 1.00 0.00 O ATOM 0 H SER A 26 0.006 -7.229 -1.569 1.00 0.00 H new ATOM 0 HA SER A 26 -2.157 -8.903 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.498 -10.308 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.149 -8.623 -3.615 1.00 0.00 H new ATOM 0 HG SER A 26 1.301 -8.818 -1.645 1.00 0.00 H new ATOM 377 N TYR A 27 -0.614 -9.704 0.515 1.00 0.00 N ATOM 378 CA TYR A 27 -0.722 -10.497 1.730 1.00 0.00 C ATOM 379 C TYR A 27 -2.077 -10.259 2.405 1.00 0.00 C ATOM 380 O TYR A 27 -2.695 -11.200 2.897 1.00 0.00 O ATOM 381 CB TYR A 27 0.425 -10.130 2.682 1.00 0.00 C ATOM 382 CG TYR A 27 1.814 -10.084 2.063 1.00 0.00 C ATOM 383 CD1 TYR A 27 2.202 -11.018 1.085 1.00 0.00 C ATOM 384 CD2 TYR A 27 2.725 -9.095 2.478 1.00 0.00 C ATOM 385 CE1 TYR A 27 3.473 -10.934 0.493 1.00 0.00 C ATOM 386 CE2 TYR A 27 4.004 -9.024 1.901 1.00 0.00 C ATOM 387 CZ TYR A 27 4.373 -9.936 0.898 1.00 0.00 C ATOM 388 OH TYR A 27 5.605 -9.858 0.317 1.00 0.00 O ATOM 0 H TYR A 27 0.014 -8.905 0.608 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.651 -11.555 1.476 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.211 -9.155 3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.437 -10.850 3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.521 -11.802 0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.440 -8.388 3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.758 -11.638 -0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.703 -8.269 2.228 1.00 0.00 H new ATOM 0 HH TYR A 27 6.105 -9.112 0.709 1.00 0.00 H new ATOM 398 N TYR A 28 -2.523 -8.997 2.442 1.00 0.00 N ATOM 399 CA TYR A 28 -3.740 -8.573 3.120 1.00 0.00 C ATOM 400 C TYR A 28 -4.981 -9.101 2.394 1.00 0.00 C ATOM 401 O TYR A 28 -5.836 -9.734 3.010 1.00 0.00 O ATOM 402 CB TYR A 28 -3.743 -7.040 3.211 1.00 0.00 C ATOM 403 CG TYR A 28 -4.853 -6.450 4.058 1.00 0.00 C ATOM 404 CD1 TYR A 28 -6.137 -6.273 3.514 1.00 0.00 C ATOM 405 CD2 TYR A 28 -4.592 -6.025 5.373 1.00 0.00 C ATOM 406 CE1 TYR A 28 -7.162 -5.708 4.288 1.00 0.00 C ATOM 407 CE2 TYR A 28 -5.609 -5.426 6.136 1.00 0.00 C ATOM 408 CZ TYR A 28 -6.895 -5.266 5.593 1.00 0.00 C ATOM 409 OH TYR A 28 -7.884 -4.678 6.326 1.00 0.00 O ATOM 0 H TYR A 28 -2.030 -8.228 1.988 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.767 -8.988 4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.785 -6.713 3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.819 -6.632 2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.335 -6.573 2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.608 -6.159 5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.157 -5.613 3.879 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.402 -5.088 7.141 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.535 -4.431 7.208 1.00 0.00 H new ATOM 419 N GLN A 29 -5.076 -8.826 1.089 1.00 0.00 N ATOM 420 CA GLN A 29 -6.138 -9.285 0.205 1.00 0.00 C ATOM 421 C GLN A 29 -5.542 -9.480 -1.189 1.00 0.00 C ATOM 422 O GLN A 29 -4.325 -9.532 -1.327 1.00 0.00 O ATOM 423 CB GLN A 29 -7.315 -8.297 0.226 1.00 0.00 C ATOM 424 CG GLN A 29 -6.967 -6.908 -0.327 1.00 0.00 C ATOM 425 CD GLN A 29 -8.157 -5.963 -0.193 1.00 0.00 C ATOM 426 OE1 GLN A 29 -8.464 -5.506 0.906 1.00 0.00 O ATOM 427 NE2 GLN A 29 -8.841 -5.674 -1.302 1.00 0.00 N ATOM 0 H GLN A 29 -4.384 -8.254 0.606 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.544 -10.240 0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.138 -8.714 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.670 -8.191 1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.110 -6.501 0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.677 -6.990 -1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.555 -6.073 -2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.650 -5.054 -1.255 1.00 0.00 H new ATOM 436 N SER A 30 -6.375 -9.581 -2.229 1.00 0.00 N ATOM 437 CA SER A 30 -5.908 -9.707 -3.600 1.00 0.00 C ATOM 438 C SER A 30 -5.114 -8.466 -4.026 1.00 0.00 C ATOM 439 O SER A 30 -3.965 -8.605 -4.441 1.00 0.00 O ATOM 440 CB SER A 30 -7.092 -10.008 -4.528 1.00 0.00 C ATOM 441 OG SER A 30 -8.313 -9.618 -3.935 1.00 0.00 O ATOM 0 H SER A 30 -7.391 -9.577 -2.137 1.00 0.00 H new ATOM 0 HA SER A 30 -5.217 -10.547 -3.672 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.959 -9.483 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.118 -11.074 -4.756 1.00 0.00 H new ATOM 0 HG SER A 30 -9.052 -9.818 -4.546 1.00 0.00 H new ATOM 447 N CYS A 31 -5.722 -7.275 -3.913 1.00 0.00 N ATOM 448 CA CYS A 31 -5.154 -5.967 -4.246 1.00 0.00 C ATOM 449 C CYS A 31 -4.977 -5.781 -5.751 1.00 0.00 C ATOM 450 O CYS A 31 -5.630 -4.928 -6.347 1.00 0.00 O ATOM 451 CB CYS A 31 -3.852 -5.667 -3.486 1.00 0.00 C ATOM 452 SG CYS A 31 -3.051 -4.121 -4.007 1.00 0.00 S ATOM 0 H CYS A 31 -6.678 -7.199 -3.566 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.886 -5.233 -3.910 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.067 -5.614 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.157 -6.494 -3.631 1.00 0.00 H new ATOM 457 N CYS A 32 -4.077 -6.564 -6.353 1.00 0.00 N ATOM 458 CA CYS A 32 -3.729 -6.451 -7.755 1.00 0.00 C ATOM 459 C CYS A 32 -4.949 -6.724 -8.627 1.00 0.00 C ATOM 460 O CYS A 32 -5.551 -7.792 -8.524 1.00 0.00 O ATOM 461 CB CYS A 32 -2.576 -7.397 -8.079 1.00 0.00 C ATOM 462 SG CYS A 32 -1.807 -7.050 -9.681 1.00 0.00 S ATOM 0 H CYS A 32 -3.568 -7.301 -5.865 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.398 -5.434 -7.967 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.821 -7.323 -7.296 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.942 -8.424 -8.073 1.00 0.00 H new ATOM 467 N THR A 33 -5.318 -5.731 -9.445 1.00 0.00 N ATOM 468 CA THR A 33 -6.537 -5.698 -10.246 1.00 0.00 C ATOM 469 C THR A 33 -7.757 -6.148 -9.435 1.00 0.00 C ATOM 470 O THR A 33 -8.554 -6.961 -9.900 1.00 0.00 O ATOM 471 CB THR A 33 -6.354 -6.483 -11.558 1.00 0.00 C ATOM 472 OG1 THR A 33 -6.075 -7.844 -11.311 1.00 0.00 O ATOM 473 CG2 THR A 33 -5.222 -5.893 -12.403 1.00 0.00 C ATOM 0 H THR A 33 -4.747 -4.895 -9.569 1.00 0.00 H new ATOM 0 HA THR A 33 -6.735 -4.664 -10.529 1.00 0.00 H new ATOM 0 HB THR A 33 -7.294 -6.403 -12.104 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.028 -7.998 -10.344 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.117 -6.468 -13.323 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.453 -4.856 -12.648 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.289 -5.934 -11.841 1.00 0.00 H new ATOM 481 N ASP A 34 -7.886 -5.606 -8.217 1.00 0.00 N ATOM 482 CA ASP A 34 -8.966 -5.889 -7.285 1.00 0.00 C ATOM 483 C ASP A 34 -9.383 -4.591 -6.598 1.00 0.00 C ATOM 484 O ASP A 34 -10.544 -4.194 -6.674 1.00 0.00 O ATOM 485 CB ASP A 34 -8.492 -6.943 -6.275 1.00 0.00 C ATOM 486 CG ASP A 34 -9.247 -6.894 -4.949 1.00 0.00 C ATOM 487 OD1 ASP A 34 -10.494 -6.948 -4.992 1.00 0.00 O ATOM 488 OD2 ASP A 34 -8.553 -6.824 -3.909 1.00 0.00 O ATOM 0 H ASP A 34 -7.212 -4.935 -7.848 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.835 -6.289 -7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.607 -7.934 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.428 -6.801 -6.085 1.00 0.00 H new ATOM 493 N TYR A 35 -8.431 -3.945 -5.917 1.00 0.00 N ATOM 494 CA TYR A 35 -8.674 -2.769 -5.098 1.00 0.00 C ATOM 495 C TYR A 35 -7.483 -1.821 -5.242 1.00 0.00 C ATOM 496 O TYR A 35 -6.491 -2.177 -5.876 1.00 0.00 O ATOM 497 CB TYR A 35 -8.894 -3.236 -3.653 1.00 0.00 C ATOM 498 CG TYR A 35 -9.257 -2.134 -2.680 1.00 0.00 C ATOM 499 CD1 TYR A 35 -10.484 -1.460 -2.811 1.00 0.00 C ATOM 500 CD2 TYR A 35 -8.317 -1.697 -1.733 1.00 0.00 C ATOM 501 CE1 TYR A 35 -10.756 -0.332 -2.020 1.00 0.00 C ATOM 502 CE2 TYR A 35 -8.600 -0.584 -0.930 1.00 0.00 C ATOM 503 CZ TYR A 35 -9.806 0.116 -1.090 1.00 0.00 C ATOM 504 OH TYR A 35 -10.040 1.234 -0.350 1.00 0.00 O ATOM 0 H TYR A 35 -7.453 -4.236 -5.925 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.563 -2.223 -5.413 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -9.686 -3.985 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.986 -3.727 -3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -11.218 -1.810 -3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.377 -2.218 -1.624 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -11.695 0.190 -2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.887 -0.263 -0.185 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.223 1.989 -0.947 1.00 0.00 H new ATOM 514 N THR A 36 -7.578 -0.609 -4.681 1.00 0.00 N ATOM 515 CA THR A 36 -6.493 0.357 -4.728 1.00 0.00 C ATOM 516 C THR A 36 -6.642 1.411 -3.629 1.00 0.00 C ATOM 517 O THR A 36 -7.665 1.472 -2.952 1.00 0.00 O ATOM 518 CB THR A 36 -6.399 0.972 -6.136 1.00 0.00 C ATOM 519 OG1 THR A 36 -5.198 1.698 -6.275 1.00 0.00 O ATOM 520 CG2 THR A 36 -7.585 1.881 -6.467 1.00 0.00 C ATOM 0 H THR A 36 -8.407 -0.280 -4.187 1.00 0.00 H new ATOM 0 HA THR A 36 -5.550 -0.153 -4.530 1.00 0.00 H new ATOM 0 HB THR A 36 -6.417 0.140 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.501 1.287 -5.722 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.464 2.286 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.509 1.306 -6.416 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.627 2.700 -5.749 1.00 0.00 H new ATOM 528 N ALA A 37 -5.600 2.240 -3.485 1.00 0.00 N ATOM 529 CA ALA A 37 -5.511 3.434 -2.655 1.00 0.00 C ATOM 530 C ALA A 37 -5.128 3.135 -1.209 1.00 0.00 C ATOM 531 O ALA A 37 -4.096 3.618 -0.750 1.00 0.00 O ATOM 532 CB ALA A 37 -6.770 4.299 -2.743 1.00 0.00 C ATOM 0 H ALA A 37 -4.730 2.073 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.690 4.018 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.654 5.176 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.922 4.616 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.632 3.721 -2.410 1.00 0.00 H new ATOM 538 N GLU A 38 -5.970 2.389 -0.484 1.00 0.00 N ATOM 539 CA GLU A 38 -5.866 2.258 0.965 1.00 0.00 C ATOM 540 C GLU A 38 -5.451 0.863 1.433 1.00 0.00 C ATOM 541 O GLU A 38 -5.183 0.700 2.623 1.00 0.00 O ATOM 542 CB GLU A 38 -7.198 2.668 1.606 1.00 0.00 C ATOM 543 CG GLU A 38 -7.453 4.175 1.494 1.00 0.00 C ATOM 544 CD GLU A 38 -6.369 5.012 2.170 1.00 0.00 C ATOM 545 OE1 GLU A 38 -5.849 4.566 3.218 1.00 0.00 O ATOM 546 OE2 GLU A 38 -6.055 6.087 1.619 1.00 0.00 O ATOM 0 H GLU A 38 -6.742 1.861 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.065 2.923 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.013 2.126 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.198 2.378 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.515 4.451 0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.419 4.409 1.942 1.00 0.00 H new ATOM 553 N CYS A 39 -5.404 -0.123 0.526 1.00 0.00 N ATOM 554 CA CYS A 39 -5.220 -1.542 0.812 1.00 0.00 C ATOM 555 C CYS A 39 -6.427 -2.131 1.537 1.00 0.00 C ATOM 556 O CYS A 39 -7.164 -2.924 0.958 1.00 0.00 O ATOM 557 CB CYS A 39 -3.899 -1.843 1.534 1.00 0.00 C ATOM 558 SG CYS A 39 -3.701 -3.604 1.900 1.00 0.00 S ATOM 0 H CYS A 39 -5.498 0.062 -0.473 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.147 -2.045 -0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.066 -1.507 0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.858 -1.274 2.463 1.00 0.00 H new ATOM 563 N LYS A 40 -6.636 -1.733 2.794 1.00 0.00 N ATOM 564 CA LYS A 40 -7.838 -2.049 3.549 1.00 0.00 C ATOM 565 C LYS A 40 -9.067 -1.517 2.802 1.00 0.00 C ATOM 566 O LYS A 40 -8.978 -0.457 2.185 1.00 0.00 O ATOM 567 CB LYS A 40 -7.719 -1.440 4.954 1.00 0.00 C ATOM 568 CG LYS A 40 -7.767 0.094 4.907 1.00 0.00 C ATOM 569 CD LYS A 40 -7.155 0.742 6.151 1.00 0.00 C ATOM 570 CE LYS A 40 -6.900 2.233 5.890 1.00 0.00 C ATOM 571 NZ LYS A 40 -5.735 2.445 5.008 1.00 0.00 N ATOM 0 H LYS A 40 -5.962 -1.175 3.318 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.953 -3.128 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.528 -1.812 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.785 -1.762 5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.236 0.443 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.803 0.418 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.826 0.622 7.002 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.221 0.244 6.409 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.785 2.679 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.736 2.745 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.908 3.268 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.888 2.616 5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.587 1.601 4.419 1.00 0.00 H new ATOM 585 N PRO A 41 -10.206 -2.227 2.830 1.00 0.00 N ATOM 586 CA PRO A 41 -11.402 -1.830 2.109 1.00 0.00 C ATOM 587 C PRO A 41 -11.928 -0.510 2.676 1.00 0.00 C ATOM 588 O PRO A 41 -12.260 -0.426 3.858 1.00 0.00 O ATOM 589 CB PRO A 41 -12.393 -2.983 2.290 1.00 0.00 C ATOM 590 CG PRO A 41 -11.952 -3.635 3.599 1.00 0.00 C ATOM 591 CD PRO A 41 -10.435 -3.462 3.558 1.00 0.00 C ATOM 0 HA PRO A 41 -11.222 -1.654 1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.420 -2.623 2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.347 -3.685 1.457 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.393 -3.144 4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.240 -4.685 3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.019 -3.408 4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.957 -4.306 3.060 1.00 0.00 H new ATOM 599 N GLN A 42 -11.960 0.525 1.831 1.00 0.00 N ATOM 600 CA GLN A 42 -12.285 1.890 2.209 1.00 0.00 C ATOM 601 C GLN A 42 -12.936 2.557 0.995 1.00 0.00 C ATOM 602 O GLN A 42 -12.681 2.151 -0.139 1.00 0.00 O ATOM 603 CB GLN A 42 -10.983 2.585 2.647 1.00 0.00 C ATOM 604 CG GLN A 42 -11.168 3.782 3.590 1.00 0.00 C ATOM 605 CD GLN A 42 -11.814 4.986 2.916 1.00 0.00 C ATOM 606 OE1 GLN A 42 -12.880 5.433 3.331 1.00 0.00 O ATOM 607 NE2 GLN A 42 -11.188 5.498 1.857 1.00 0.00 N ATOM 0 H GLN A 42 -11.753 0.426 0.837 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.984 1.947 3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.345 1.850 3.139 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.453 2.923 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.781 3.476 4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.197 4.075 3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.304 5.097 1.544 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.593 6.291 1.359 1.00 0.00 H new ATOM 616 N VAL A 43 -13.782 3.568 1.226 1.00 0.00 N ATOM 617 CA VAL A 43 -14.416 4.346 0.173 1.00 0.00 C ATOM 618 C VAL A 43 -13.351 5.243 -0.464 1.00 0.00 C ATOM 619 O VAL A 43 -13.143 6.379 -0.039 1.00 0.00 O ATOM 620 CB VAL A 43 -15.597 5.149 0.748 1.00 0.00 C ATOM 621 CG1 VAL A 43 -16.322 5.922 -0.363 1.00 0.00 C ATOM 622 CG2 VAL A 43 -16.610 4.218 1.427 1.00 0.00 C ATOM 0 H VAL A 43 -14.044 3.867 2.165 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.829 3.697 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.189 5.847 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.153 6.482 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -15.626 6.613 -0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -16.702 5.221 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -17.436 4.808 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -16.993 3.504 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.122 3.681 2.240 1.00 0.00 H new ATOM 632 N THR A 44 -12.659 4.701 -1.470 1.00 0.00 N ATOM 633 CA THR A 44 -11.516 5.326 -2.114 1.00 0.00 C ATOM 634 C THR A 44 -11.892 6.680 -2.713 1.00 0.00 C ATOM 635 O THR A 44 -12.954 6.829 -3.317 1.00 0.00 O ATOM 636 CB THR A 44 -10.969 4.365 -3.177 1.00 0.00 C ATOM 637 OG1 THR A 44 -10.482 3.208 -2.527 1.00 0.00 O ATOM 638 CG2 THR A 44 -9.848 5.006 -3.999 1.00 0.00 C ATOM 0 H THR A 44 -12.890 3.790 -1.865 1.00 0.00 H new ATOM 0 HA THR A 44 -10.738 5.522 -1.376 1.00 0.00 H new ATOM 0 HB THR A 44 -11.775 4.111 -3.866 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.130 2.582 -3.194 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.488 4.293 -4.741 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.229 5.894 -4.504 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.028 5.288 -3.338 1.00 0.00 H new ATOM 646 N ARG A 45 -10.999 7.659 -2.537 1.00 0.00 N ATOM 647 CA ARG A 45 -11.136 9.012 -3.048 1.00 0.00 C ATOM 648 C ARG A 45 -9.730 9.595 -3.198 1.00 0.00 C ATOM 649 O ARG A 45 -8.810 9.168 -2.501 1.00 0.00 O ATOM 650 CB ARG A 45 -12.015 9.821 -2.085 1.00 0.00 C ATOM 651 CG ARG A 45 -12.233 11.261 -2.558 1.00 0.00 C ATOM 652 CD ARG A 45 -13.174 12.000 -1.605 1.00 0.00 C ATOM 653 NE ARG A 45 -13.294 13.413 -1.981 1.00 0.00 N ATOM 654 CZ ARG A 45 -13.893 14.351 -1.230 1.00 0.00 C ATOM 655 NH1 ARG A 45 -14.508 14.018 -0.087 1.00 0.00 N ATOM 656 NH2 ARG A 45 -13.875 15.631 -1.625 1.00 0.00 N ATOM 0 H ARG A 45 -10.134 7.519 -2.016 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.623 9.037 -4.023 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.981 9.327 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.552 9.832 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.277 11.782 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.652 11.260 -3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -14.157 11.530 -1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.800 11.921 -0.584 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.895 13.703 -2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.524 13.045 0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.960 14.737 0.477 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.407 15.890 -2.494 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.329 16.346 -1.057 1.00 0.00 H new ATOM 670 N GLY A 46 -9.565 10.539 -4.132 1.00 0.00 N ATOM 671 CA GLY A 46 -8.290 11.161 -4.453 1.00 0.00 C ATOM 672 C GLY A 46 -8.135 12.506 -3.752 1.00 0.00 C ATOM 673 O GLY A 46 -7.125 12.746 -3.091 1.00 0.00 O ATOM 0 H GLY A 46 -10.337 10.895 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.476 10.499 -4.158 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.212 11.300 -5.531 1.00 0.00 H new ATOM 677 N ASP A 47 -9.122 13.389 -3.930 1.00 0.00 N ATOM 678 CA ASP A 47 -9.107 14.746 -3.408 1.00 0.00 C ATOM 679 C ASP A 47 -9.571 14.762 -1.952 1.00 0.00 C ATOM 680 O ASP A 47 -10.424 13.967 -1.568 1.00 0.00 O ATOM 681 CB ASP A 47 -9.992 15.644 -4.279 1.00 0.00 C ATOM 682 CG ASP A 47 -11.478 15.311 -4.148 1.00 0.00 C ATOM 683 OD1 ASP A 47 -11.832 14.133 -4.376 1.00 0.00 O ATOM 684 OD2 ASP A 47 -12.239 16.238 -3.799 1.00 0.00 O ATOM 0 H ASP A 47 -9.969 13.169 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.088 15.131 -3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.831 16.686 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.691 15.542 -5.322 1.00 0.00 H new ATOM 689 N VAL A 48 -9.003 15.677 -1.156 1.00 0.00 N ATOM 690 CA VAL A 48 -9.283 15.860 0.265 1.00 0.00 C ATOM 691 C VAL A 48 -8.778 14.651 1.055 1.00 0.00 C ATOM 692 O VAL A 48 -7.725 14.723 1.685 1.00 0.00 O ATOM 693 CB VAL A 48 -10.766 16.201 0.527 1.00 0.00 C ATOM 694 CG1 VAL A 48 -10.988 16.511 2.012 1.00 0.00 C ATOM 695 CG2 VAL A 48 -11.198 17.422 -0.295 1.00 0.00 C ATOM 0 H VAL A 48 -8.307 16.336 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.734 16.730 0.625 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.361 15.336 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.038 16.750 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.712 15.642 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.372 17.362 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.246 17.643 -0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.586 18.281 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.069 17.210 -1.356 1.00 0.00 H new ATOM 705 N PHE A 49 -9.510 13.534 0.992 1.00 0.00 N ATOM 706 CA PHE A 49 -9.032 12.243 1.448 1.00 0.00 C ATOM 707 C PHE A 49 -8.021 11.732 0.426 1.00 0.00 C ATOM 708 O PHE A 49 -8.378 11.492 -0.726 1.00 0.00 O ATOM 709 CB PHE A 49 -10.212 11.277 1.589 1.00 0.00 C ATOM 710 CG PHE A 49 -9.807 9.905 2.088 1.00 0.00 C ATOM 711 CD1 PHE A 49 -9.412 8.909 1.176 1.00 0.00 C ATOM 712 CD2 PHE A 49 -9.723 9.659 3.469 1.00 0.00 C ATOM 713 CE1 PHE A 49 -8.921 7.681 1.645 1.00 0.00 C ATOM 714 CE2 PHE A 49 -9.255 8.421 3.938 1.00 0.00 C ATOM 715 CZ PHE A 49 -8.846 7.435 3.026 1.00 0.00 C ATOM 0 H PHE A 49 -10.459 13.510 0.618 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.554 12.326 2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -10.943 11.705 2.276 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -10.705 11.173 0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.487 9.090 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -10.019 10.424 4.171 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.601 6.925 0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.210 8.227 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.474 6.487 3.386 1.00 0.00 H new ATOM 725 N THR A 50 -6.762 11.585 0.847 1.00 0.00 N ATOM 726 CA THR A 50 -5.666 11.180 -0.015 1.00 0.00 C ATOM 727 C THR A 50 -5.824 9.715 -0.429 1.00 0.00 C ATOM 728 O THR A 50 -6.164 8.870 0.397 1.00 0.00 O ATOM 729 CB THR A 50 -4.348 11.403 0.737 1.00 0.00 C ATOM 730 OG1 THR A 50 -4.318 12.721 1.245 1.00 0.00 O ATOM 731 CG2 THR A 50 -3.132 11.191 -0.168 1.00 0.00 C ATOM 0 H THR A 50 -6.479 11.748 1.813 1.00 0.00 H new ATOM 0 HA THR A 50 -5.667 11.777 -0.927 1.00 0.00 H new ATOM 0 HB THR A 50 -4.299 10.675 1.547 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.478 12.866 1.728 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.219 11.359 0.404 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.137 10.171 -0.552 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.172 11.892 -1.001 1.00 0.00 H new ATOM 739 N MET A 51 -5.550 9.416 -1.703 1.00 0.00 N ATOM 740 CA MET A 51 -5.554 8.055 -2.216 1.00 0.00 C ATOM 741 C MET A 51 -4.339 7.285 -1.682 1.00 0.00 C ATOM 742 O MET A 51 -3.307 7.224 -2.345 1.00 0.00 O ATOM 743 CB MET A 51 -5.651 8.044 -3.753 1.00 0.00 C ATOM 744 CG MET A 51 -4.677 8.991 -4.472 1.00 0.00 C ATOM 745 SD MET A 51 -4.516 8.729 -6.259 1.00 0.00 S ATOM 746 CE MET A 51 -6.108 9.371 -6.833 1.00 0.00 C ATOM 0 H MET A 51 -5.319 10.119 -2.405 1.00 0.00 H new ATOM 0 HA MET A 51 -6.442 7.537 -1.855 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.474 7.028 -4.106 1.00 0.00 H new ATOM 0 HB3 MET A 51 -6.669 8.308 -4.040 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.001 10.017 -4.300 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.692 8.887 -4.016 1.00 0.00 H new ATOM 0 HE1 MET A 51 -6.167 9.281 -7.918 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.916 8.799 -6.377 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.201 10.420 -6.550 1.00 0.00 H new TER 756 MET A 51 HETATM 757 O OH A 52 -4.493 6.691 -0.465 1.00 0.00 O