USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=17 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 18 LYS NZ :NH3+ 165:sc= 1.4 (180deg=0.466) USER MOD Set 1.2: A 50 THR OG1 : rot 64:sc= 0.991 USER MOD Set 2.1: A 40 LYS NZ :NH3+ 163:sc= 0.32 (180deg=0) USER MOD Set 2.2: A 42 GLN : amide:sc= 0.296 K(o=0.62,f=-1.3) USER MOD Set 3.1: A 1 ASP N :NH3+ -178:sc= 1.54 (180deg=1.06) USER MOD Set 3.2: A 2 GLN : amide:sc= 0.176! C(o=2.3!,f=-2!) USER MOD Set 3.3: A 10 THR OG1 : rot 160:sc= 0.61 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= 1.8 (180deg=1.65) USER MOD Single : A 14 ASN : amide:sc= 0.509 K(o=0.51,f=-2.3!) USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= 2.44 (180deg=1.09) USER MOD Single : A 20 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 26 SER OG : rot -48:sc= 1.35 USER MOD Single : A 27 TYR OH : rot -138:sc= 1.05 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0.155 X(o=0.16,f=-0.25) USER MOD Single : A 30 SER OG : rot -25:sc= 0.797 USER MOD Single : A 33 THR OG1 : rot -56:sc= 0.189 USER MOD Single : A 35 TYR OH : rot 149:sc= 0.939 USER MOD Single : A 36 THR OG1 : rot 42:sc= 0.354 USER MOD Single : A 44 THR OG1 : rot 146:sc= 0.79 USER MOD Single : A 51 MET CE :methyl -173:sc= 0 (180deg=-0.0546) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 13.621 -3.125 5.314 1.00 0.00 N ATOM 2 CA ASP A 1 12.462 -2.262 5.016 1.00 0.00 C ATOM 3 C ASP A 1 11.431 -2.956 4.118 1.00 0.00 C ATOM 4 O ASP A 1 10.250 -2.614 4.140 1.00 0.00 O ATOM 5 CB ASP A 1 12.912 -0.928 4.412 1.00 0.00 C ATOM 6 CG ASP A 1 11.772 0.084 4.345 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.006 0.158 5.333 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.692 0.786 3.315 1.00 0.00 O ATOM 0 H1 ASP A 1 14.272 -2.624 5.951 1.00 0.00 H new ATOM 0 H2 ASP A 1 13.294 -4.000 5.772 1.00 0.00 H new ATOM 0 H3 ASP A 1 14.115 -3.361 4.430 1.00 0.00 H new ATOM 0 HA ASP A 1 11.966 -2.059 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 1 13.727 -0.517 5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 1 13.305 -1.098 3.410 1.00 0.00 H new ATOM 15 N GLN A 2 11.875 -3.952 3.345 1.00 0.00 N ATOM 16 CA GLN A 2 11.046 -4.740 2.447 1.00 0.00 C ATOM 17 C GLN A 2 10.397 -5.901 3.201 1.00 0.00 C ATOM 18 O GLN A 2 10.487 -7.054 2.782 1.00 0.00 O ATOM 19 CB GLN A 2 11.873 -5.202 1.235 1.00 0.00 C ATOM 20 CG GLN A 2 13.181 -5.936 1.576 1.00 0.00 C ATOM 21 CD GLN A 2 14.327 -4.973 1.881 1.00 0.00 C ATOM 22 OE1 GLN A 2 14.666 -4.752 3.043 1.00 0.00 O ATOM 23 NE2 GLN A 2 14.911 -4.377 0.842 1.00 0.00 N ATOM 0 H GLN A 2 12.855 -4.236 3.332 1.00 0.00 H new ATOM 0 HA GLN A 2 10.233 -4.124 2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.255 -5.859 0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.112 -4.331 0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.017 -6.585 2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.462 -6.578 0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.601 -4.587 -0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.668 -3.711 0.996 1.00 0.00 H new ATOM 32 N GLU A 3 9.714 -5.592 4.310 1.00 0.00 N ATOM 33 CA GLU A 3 8.968 -6.571 5.084 1.00 0.00 C ATOM 34 C GLU A 3 7.598 -6.735 4.434 1.00 0.00 C ATOM 35 O GLU A 3 6.588 -6.299 4.984 1.00 0.00 O ATOM 36 CB GLU A 3 8.853 -6.140 6.555 1.00 0.00 C ATOM 37 CG GLU A 3 10.198 -6.170 7.291 1.00 0.00 C ATOM 38 CD GLU A 3 11.107 -5.014 6.895 1.00 0.00 C ATOM 39 OE1 GLU A 3 10.705 -3.863 7.169 1.00 0.00 O ATOM 40 OE2 GLU A 3 12.178 -5.290 6.314 1.00 0.00 O ATOM 0 H GLU A 3 9.668 -4.647 4.692 1.00 0.00 H new ATOM 0 HA GLU A 3 9.489 -7.529 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.441 -5.132 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 3 8.149 -6.796 7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.021 -6.136 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.703 -7.113 7.080 1.00 0.00 H new ATOM 47 N SER A 4 7.587 -7.359 3.250 1.00 0.00 N ATOM 48 CA SER A 4 6.393 -7.603 2.458 1.00 0.00 C ATOM 49 C SER A 4 5.657 -6.290 2.180 1.00 0.00 C ATOM 50 O SER A 4 4.460 -6.196 2.427 1.00 0.00 O ATOM 51 CB SER A 4 5.506 -8.645 3.155 1.00 0.00 C ATOM 52 OG SER A 4 6.233 -9.838 3.357 1.00 0.00 O ATOM 0 H SER A 4 8.436 -7.715 2.811 1.00 0.00 H new ATOM 0 HA SER A 4 6.674 -8.015 1.489 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.156 -8.256 4.111 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.622 -8.846 2.550 1.00 0.00 H new ATOM 0 HG SER A 4 5.662 -10.497 3.803 1.00 0.00 H new ATOM 58 N CYS A 5 6.378 -5.286 1.667 1.00 0.00 N ATOM 59 CA CYS A 5 5.834 -3.997 1.258 1.00 0.00 C ATOM 60 C CYS A 5 4.964 -3.321 2.311 1.00 0.00 C ATOM 61 O CYS A 5 3.738 -3.335 2.214 1.00 0.00 O ATOM 62 CB CYS A 5 5.105 -4.124 -0.078 1.00 0.00 C ATOM 63 SG CYS A 5 6.161 -4.551 -1.477 1.00 0.00 S ATOM 0 H CYS A 5 7.385 -5.356 1.523 1.00 0.00 H new ATOM 0 HA CYS A 5 6.690 -3.333 1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.329 -4.883 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.604 -3.181 -0.294 1.00 0.00 H new ATOM 68 N LYS A 6 5.617 -2.624 3.247 1.00 0.00 N ATOM 69 CA LYS A 6 4.975 -1.653 4.126 1.00 0.00 C ATOM 70 C LYS A 6 4.788 -0.344 3.348 1.00 0.00 C ATOM 71 O LYS A 6 5.237 0.714 3.788 1.00 0.00 O ATOM 72 CB LYS A 6 5.868 -1.408 5.349 1.00 0.00 C ATOM 73 CG LYS A 6 6.295 -2.690 6.072 1.00 0.00 C ATOM 74 CD LYS A 6 6.919 -2.375 7.441 1.00 0.00 C ATOM 75 CE LYS A 6 8.023 -1.306 7.403 1.00 0.00 C ATOM 76 NZ LYS A 6 9.124 -1.668 6.496 1.00 0.00 N ATOM 0 H LYS A 6 6.618 -2.723 3.414 1.00 0.00 H new ATOM 0 HA LYS A 6 4.007 -2.026 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.760 -0.866 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.337 -0.766 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.431 -3.341 6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.013 -3.234 5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.132 -2.043 8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.333 -3.293 7.858 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.594 -0.355 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.418 -1.159 8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.698 -0.825 6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.720 -2.392 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.733 -2.043 5.608 1.00 0.00 H new ATOM 90 N GLY A 7 4.202 -0.425 2.149 1.00 0.00 N ATOM 91 CA GLY A 7 4.321 0.609 1.136 1.00 0.00 C ATOM 92 C GLY A 7 5.706 0.504 0.503 1.00 0.00 C ATOM 93 O GLY A 7 5.831 0.169 -0.673 1.00 0.00 O ATOM 0 H GLY A 7 3.630 -1.218 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.547 0.488 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.181 1.594 1.581 1.00 0.00 H new ATOM 97 N ARG A 8 6.746 0.771 1.302 1.00 0.00 N ATOM 98 CA ARG A 8 8.130 0.769 0.868 1.00 0.00 C ATOM 99 C ARG A 8 8.649 -0.664 0.766 1.00 0.00 C ATOM 100 O ARG A 8 8.467 -1.447 1.700 1.00 0.00 O ATOM 101 CB ARG A 8 8.992 1.519 1.888 1.00 0.00 C ATOM 102 CG ARG A 8 8.536 2.955 2.161 1.00 0.00 C ATOM 103 CD ARG A 8 9.535 3.661 3.082 1.00 0.00 C ATOM 104 NE ARG A 8 9.784 2.886 4.303 1.00 0.00 N ATOM 105 CZ ARG A 8 9.026 2.893 5.413 1.00 0.00 C ATOM 106 NH1 ARG A 8 7.945 3.679 5.518 1.00 0.00 N ATOM 107 NH2 ARG A 8 9.358 2.090 6.432 1.00 0.00 N ATOM 0 H ARG A 8 6.636 0.999 2.290 1.00 0.00 H new ATOM 0 HA ARG A 8 8.186 1.254 -0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.990 0.964 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.022 1.538 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.448 3.501 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.548 2.949 2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.474 3.816 2.551 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.153 4.647 3.347 1.00 0.00 H new ATOM 0 HE ARG A 8 10.609 2.286 4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.682 4.290 4.745 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.386 3.666 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.176 1.485 6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.793 2.084 7.281 1.00 0.00 H new ATOM 121 N CYS A 9 9.318 -0.994 -0.346 1.00 0.00 N ATOM 122 CA CYS A 9 9.945 -2.290 -0.560 1.00 0.00 C ATOM 123 C CYS A 9 10.730 -2.287 -1.865 1.00 0.00 C ATOM 124 O CYS A 9 10.238 -1.791 -2.872 1.00 0.00 O ATOM 125 CB CYS A 9 8.883 -3.390 -0.636 1.00 0.00 C ATOM 126 SG CYS A 9 7.444 -2.965 -1.666 1.00 0.00 S ATOM 0 H CYS A 9 9.437 -0.353 -1.130 1.00 0.00 H new ATOM 0 HA CYS A 9 10.616 -2.482 0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.342 -4.297 -1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.539 -3.618 0.373 1.00 0.00 H new ATOM 131 N THR A 10 11.914 -2.907 -1.872 1.00 0.00 N ATOM 132 CA THR A 10 12.663 -3.189 -3.090 1.00 0.00 C ATOM 133 C THR A 10 11.878 -4.108 -4.033 1.00 0.00 C ATOM 134 O THR A 10 12.159 -4.132 -5.230 1.00 0.00 O ATOM 135 CB THR A 10 14.017 -3.813 -2.730 1.00 0.00 C ATOM 136 OG1 THR A 10 13.826 -4.911 -1.861 1.00 0.00 O ATOM 137 CG2 THR A 10 14.944 -2.793 -2.066 1.00 0.00 C ATOM 0 H THR A 10 12.379 -3.228 -1.023 1.00 0.00 H new ATOM 0 HA THR A 10 12.829 -2.249 -3.617 1.00 0.00 H new ATOM 0 HB THR A 10 14.485 -4.150 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.616 -5.490 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 10 15.894 -3.269 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 10 15.118 -1.961 -2.748 1.00 0.00 H new ATOM 0 HG23 THR A 10 14.481 -2.422 -1.152 1.00 0.00 H new ATOM 145 N GLU A 11 10.892 -4.845 -3.500 1.00 0.00 N ATOM 146 CA GLU A 11 9.962 -5.675 -4.253 1.00 0.00 C ATOM 147 C GLU A 11 9.336 -4.858 -5.390 1.00 0.00 C ATOM 148 O GLU A 11 9.280 -5.333 -6.523 1.00 0.00 O ATOM 149 CB GLU A 11 8.867 -6.201 -3.312 1.00 0.00 C ATOM 150 CG GLU A 11 9.385 -7.019 -2.117 1.00 0.00 C ATOM 151 CD GLU A 11 8.333 -7.126 -1.011 1.00 0.00 C ATOM 152 OE1 GLU A 11 7.279 -7.745 -1.276 1.00 0.00 O ATOM 153 OE2 GLU A 11 8.590 -6.572 0.082 1.00 0.00 O ATOM 0 H GLU A 11 10.721 -4.875 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 11 10.498 -6.520 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.294 -5.354 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.179 -6.820 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.664 -8.018 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.286 -6.553 -1.719 1.00 0.00 H new ATOM 160 N GLY A 12 8.909 -3.622 -5.088 1.00 0.00 N ATOM 161 CA GLY A 12 8.501 -2.628 -6.069 1.00 0.00 C ATOM 162 C GLY A 12 9.510 -1.487 -6.050 1.00 0.00 C ATOM 163 O GLY A 12 10.497 -1.521 -6.784 1.00 0.00 O ATOM 0 H GLY A 12 8.839 -3.286 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.452 -3.074 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.503 -2.255 -5.838 1.00 0.00 H new ATOM 167 N PHE A 13 9.276 -0.491 -5.189 1.00 0.00 N ATOM 168 CA PHE A 13 10.256 0.531 -4.858 1.00 0.00 C ATOM 169 C PHE A 13 9.989 1.055 -3.445 1.00 0.00 C ATOM 170 O PHE A 13 8.863 0.973 -2.951 1.00 0.00 O ATOM 171 CB PHE A 13 10.235 1.657 -5.898 1.00 0.00 C ATOM 172 CG PHE A 13 11.245 2.752 -5.613 1.00 0.00 C ATOM 173 CD1 PHE A 13 12.619 2.453 -5.626 1.00 0.00 C ATOM 174 CD2 PHE A 13 10.811 4.009 -5.155 1.00 0.00 C ATOM 175 CE1 PHE A 13 13.550 3.391 -5.151 1.00 0.00 C ATOM 176 CE2 PHE A 13 11.741 4.943 -4.674 1.00 0.00 C ATOM 177 CZ PHE A 13 13.110 4.632 -4.665 1.00 0.00 C ATOM 0 H PHE A 13 8.388 -0.377 -4.700 1.00 0.00 H new ATOM 0 HA PHE A 13 11.256 0.097 -4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 13 10.433 1.236 -6.884 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.236 2.093 -5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 13 12.959 1.500 -6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.760 4.256 -5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 13 14.604 3.157 -5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 13 11.403 5.902 -4.310 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.824 5.347 -4.284 1.00 0.00 H new ATOM 187 N ASN A 14 11.037 1.567 -2.788 1.00 0.00 N ATOM 188 CA ASN A 14 10.970 2.090 -1.433 1.00 0.00 C ATOM 189 C ASN A 14 10.395 3.503 -1.444 1.00 0.00 C ATOM 190 O ASN A 14 11.114 4.481 -1.247 1.00 0.00 O ATOM 191 CB ASN A 14 12.342 2.008 -0.756 1.00 0.00 C ATOM 192 CG ASN A 14 12.764 0.554 -0.567 1.00 0.00 C ATOM 193 OD1 ASN A 14 13.302 -0.055 -1.489 1.00 0.00 O ATOM 194 ND2 ASN A 14 12.520 -0.013 0.617 1.00 0.00 N ATOM 0 H ASN A 14 11.969 1.627 -3.198 1.00 0.00 H new ATOM 0 HA ASN A 14 10.294 1.476 -0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 14 13.083 2.531 -1.360 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.307 2.510 0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 14 12.782 -0.985 0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.071 0.526 1.358 1.00 0.00 H new ATOM 201 N VAL A 15 9.078 3.583 -1.654 1.00 0.00 N ATOM 202 CA VAL A 15 8.269 4.782 -1.537 1.00 0.00 C ATOM 203 C VAL A 15 7.016 4.407 -0.749 1.00 0.00 C ATOM 204 O VAL A 15 6.566 3.265 -0.820 1.00 0.00 O ATOM 205 CB VAL A 15 7.953 5.341 -2.935 1.00 0.00 C ATOM 206 CG1 VAL A 15 7.215 4.330 -3.825 1.00 0.00 C ATOM 207 CG2 VAL A 15 7.126 6.627 -2.843 1.00 0.00 C ATOM 0 H VAL A 15 8.527 2.768 -1.923 1.00 0.00 H new ATOM 0 HA VAL A 15 8.794 5.576 -1.006 1.00 0.00 H new ATOM 0 HB VAL A 15 8.917 5.556 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.018 4.778 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.831 3.440 -3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.271 4.053 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.918 6.999 -3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.186 6.419 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.684 7.379 -2.286 1.00 0.00 H new ATOM 217 N ASP A 16 6.480 5.352 0.029 1.00 0.00 N ATOM 218 CA ASP A 16 5.320 5.138 0.878 1.00 0.00 C ATOM 219 C ASP A 16 4.056 5.174 0.022 1.00 0.00 C ATOM 220 O ASP A 16 3.287 6.132 0.071 1.00 0.00 O ATOM 221 CB ASP A 16 5.299 6.197 1.986 1.00 0.00 C ATOM 222 CG ASP A 16 6.544 6.096 2.858 1.00 0.00 C ATOM 223 OD1 ASP A 16 6.495 5.317 3.833 1.00 0.00 O ATOM 224 OD2 ASP A 16 7.533 6.784 2.525 1.00 0.00 O ATOM 0 H ASP A 16 6.851 6.301 0.082 1.00 0.00 H new ATOM 0 HA ASP A 16 5.369 4.160 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.240 7.191 1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.408 6.068 2.601 1.00 0.00 H new ATOM 229 N LYS A 17 3.864 4.122 -0.778 1.00 0.00 N ATOM 230 CA LYS A 17 2.747 3.990 -1.697 1.00 0.00 C ATOM 231 C LYS A 17 1.546 3.340 -1.013 1.00 0.00 C ATOM 232 O LYS A 17 1.691 2.619 -0.027 1.00 0.00 O ATOM 233 CB LYS A 17 3.167 3.226 -2.960 1.00 0.00 C ATOM 234 CG LYS A 17 3.881 1.895 -2.687 1.00 0.00 C ATOM 235 CD LYS A 17 4.058 1.150 -4.012 1.00 0.00 C ATOM 236 CE LYS A 17 5.004 -0.052 -3.916 1.00 0.00 C ATOM 237 NZ LYS A 17 4.542 -1.053 -2.944 1.00 0.00 N ATOM 0 H LYS A 17 4.499 3.324 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 17 2.439 4.989 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.281 3.032 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.824 3.862 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.851 2.075 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.301 1.291 -1.989 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.083 0.808 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.439 1.843 -4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.096 -0.518 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.998 0.293 -3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.814 -2.003 -3.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.978 -0.865 -2.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.507 -1.000 -2.856 1.00 0.00 H new ATOM 251 N LYS A 18 0.360 3.619 -1.559 1.00 0.00 N ATOM 252 CA LYS A 18 -0.907 3.058 -1.129 1.00 0.00 C ATOM 253 C LYS A 18 -1.098 1.692 -1.775 1.00 0.00 C ATOM 254 O LYS A 18 -1.199 0.684 -1.080 1.00 0.00 O ATOM 255 CB LYS A 18 -2.037 4.020 -1.519 1.00 0.00 C ATOM 256 CG LYS A 18 -2.075 5.247 -0.601 1.00 0.00 C ATOM 257 CD LYS A 18 -2.977 6.330 -1.199 1.00 0.00 C ATOM 258 CE LYS A 18 -3.398 7.370 -0.154 1.00 0.00 C ATOM 259 NZ LYS A 18 -2.252 8.104 0.409 1.00 0.00 N ATOM 0 H LYS A 18 0.260 4.266 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.920 2.928 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.902 4.341 -2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.993 3.498 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.443 4.961 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.067 5.638 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.453 6.828 -2.015 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.866 5.866 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.090 8.078 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.937 6.872 0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.593 8.951 0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.742 7.491 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.611 8.389 -0.359 1.00 0.00 H new ATOM 273 N CYS A 19 -1.155 1.673 -3.111 1.00 0.00 N ATOM 274 CA CYS A 19 -1.375 0.468 -3.886 1.00 0.00 C ATOM 275 C CYS A 19 -0.821 0.665 -5.293 1.00 0.00 C ATOM 276 O CYS A 19 -1.503 1.214 -6.155 1.00 0.00 O ATOM 277 CB CYS A 19 -2.869 0.126 -3.917 1.00 0.00 C ATOM 278 SG CYS A 19 -3.278 -1.254 -5.014 1.00 0.00 S ATOM 0 H CYS A 19 -1.047 2.511 -3.683 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.853 -0.369 -3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.198 -0.115 -2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.428 1.007 -4.233 1.00 0.00 H new ATOM 283 N GLN A 20 0.406 0.184 -5.528 1.00 0.00 N ATOM 284 CA GLN A 20 0.904 -0.045 -6.877 1.00 0.00 C ATOM 285 C GLN A 20 0.337 -1.388 -7.324 1.00 0.00 C ATOM 286 O GLN A 20 -0.491 -1.451 -8.230 1.00 0.00 O ATOM 287 CB GLN A 20 2.438 -0.018 -6.885 1.00 0.00 C ATOM 288 CG GLN A 20 3.023 -0.358 -8.258 1.00 0.00 C ATOM 289 CD GLN A 20 4.529 -0.110 -8.289 1.00 0.00 C ATOM 290 OE1 GLN A 20 4.985 0.875 -8.864 1.00 0.00 O ATOM 291 NE2 GLN A 20 5.309 -0.998 -7.669 1.00 0.00 N ATOM 0 H GLN A 20 1.071 -0.053 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 20 0.588 0.734 -7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.782 0.971 -6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.815 -0.727 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.818 -1.402 -8.496 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.536 0.245 -9.024 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.893 -1.804 -7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.321 -0.871 -7.662 1.00 0.00 H new ATOM 300 N CYS A 21 0.763 -2.448 -6.634 1.00 0.00 N ATOM 301 CA CYS A 21 0.209 -3.786 -6.724 1.00 0.00 C ATOM 302 C CYS A 21 0.786 -4.591 -5.563 1.00 0.00 C ATOM 303 O CYS A 21 0.048 -5.150 -4.759 1.00 0.00 O ATOM 304 CB CYS A 21 0.547 -4.451 -8.063 1.00 0.00 C ATOM 305 SG CYS A 21 0.048 -6.193 -8.188 1.00 0.00 S ATOM 0 H CYS A 21 1.536 -2.387 -5.972 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.879 -3.743 -6.668 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.066 -3.890 -8.864 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.622 -4.382 -8.227 1.00 0.00 H new ATOM 310 N ASP A 22 2.119 -4.609 -5.483 1.00 0.00 N ATOM 311 CA ASP A 22 2.906 -5.236 -4.437 1.00 0.00 C ATOM 312 C ASP A 22 2.680 -4.530 -3.098 1.00 0.00 C ATOM 313 O ASP A 22 3.330 -3.530 -2.809 1.00 0.00 O ATOM 314 CB ASP A 22 4.389 -5.199 -4.847 1.00 0.00 C ATOM 315 CG ASP A 22 4.879 -3.794 -5.212 1.00 0.00 C ATOM 316 OD1 ASP A 22 4.444 -3.297 -6.274 1.00 0.00 O ATOM 317 OD2 ASP A 22 5.663 -3.229 -4.421 1.00 0.00 O ATOM 0 H ASP A 22 2.703 -4.160 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 22 2.597 -6.273 -4.310 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.995 -5.587 -4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.541 -5.862 -5.699 1.00 0.00 H new ATOM 322 N GLU A 23 1.768 -5.049 -2.271 1.00 0.00 N ATOM 323 CA GLU A 23 1.533 -4.540 -0.928 1.00 0.00 C ATOM 324 C GLU A 23 1.392 -5.718 0.032 1.00 0.00 C ATOM 325 O GLU A 23 0.999 -6.808 -0.379 1.00 0.00 O ATOM 326 CB GLU A 23 0.276 -3.662 -0.880 1.00 0.00 C ATOM 327 CG GLU A 23 0.218 -2.542 -1.929 1.00 0.00 C ATOM 328 CD GLU A 23 1.356 -1.529 -1.840 1.00 0.00 C ATOM 329 OE1 GLU A 23 1.867 -1.324 -0.718 1.00 0.00 O ATOM 330 OE2 GLU A 23 1.696 -0.971 -2.908 1.00 0.00 O ATOM 0 H GLU A 23 1.172 -5.838 -2.521 1.00 0.00 H new ATOM 0 HA GLU A 23 2.379 -3.920 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.598 -4.301 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.204 -3.214 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.226 -2.991 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.730 -2.014 -1.826 1.00 0.00 H new ATOM 337 N LEU A 24 1.679 -5.482 1.316 1.00 0.00 N ATOM 338 CA LEU A 24 1.449 -6.436 2.398 1.00 0.00 C ATOM 339 C LEU A 24 0.028 -6.995 2.293 1.00 0.00 C ATOM 340 O LEU A 24 -0.189 -8.205 2.333 1.00 0.00 O ATOM 341 CB LEU A 24 1.672 -5.714 3.742 1.00 0.00 C ATOM 342 CG LEU A 24 2.170 -6.615 4.883 1.00 0.00 C ATOM 343 CD1 LEU A 24 2.498 -5.739 6.096 1.00 0.00 C ATOM 344 CD2 LEU A 24 1.144 -7.674 5.286 1.00 0.00 C ATOM 0 H LEU A 24 2.086 -4.603 1.636 1.00 0.00 H new ATOM 0 HA LEU A 24 2.143 -7.274 2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.393 -4.910 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.735 -5.248 4.048 1.00 0.00 H new ATOM 0 HG LEU A 24 3.055 -7.142 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.853 -6.367 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.273 -5.021 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.602 -5.205 6.412 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.548 -8.282 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.229 -7.185 5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.923 -8.311 4.429 1.00 0.00 H new ATOM 356 N CYS A 25 -0.928 -6.081 2.114 1.00 0.00 N ATOM 357 CA CYS A 25 -2.344 -6.376 2.005 1.00 0.00 C ATOM 358 C CYS A 25 -2.627 -7.241 0.783 1.00 0.00 C ATOM 359 O CYS A 25 -3.321 -8.243 0.911 1.00 0.00 O ATOM 360 CB CYS A 25 -3.140 -5.075 1.913 1.00 0.00 C ATOM 361 SG CYS A 25 -2.788 -3.860 3.208 1.00 0.00 S ATOM 0 H CYS A 25 -0.723 -5.085 2.039 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.649 -6.927 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.944 -4.616 0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.203 -5.316 1.943 1.00 0.00 H new ATOM 366 N SER A 26 -2.107 -6.840 -0.389 1.00 0.00 N ATOM 367 CA SER A 26 -2.441 -7.423 -1.685 1.00 0.00 C ATOM 368 C SER A 26 -2.270 -8.938 -1.698 1.00 0.00 C ATOM 369 O SER A 26 -3.084 -9.652 -2.282 1.00 0.00 O ATOM 370 CB SER A 26 -1.606 -6.780 -2.801 1.00 0.00 C ATOM 371 OG SER A 26 -0.282 -7.267 -2.813 1.00 0.00 O ATOM 0 H SER A 26 -1.427 -6.083 -0.456 1.00 0.00 H new ATOM 0 HA SER A 26 -3.495 -7.214 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.075 -6.978 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.594 -5.698 -2.668 1.00 0.00 H new ATOM 0 HG SER A 26 0.086 -7.236 -1.905 1.00 0.00 H new ATOM 377 N TYR A 27 -1.206 -9.412 -1.042 1.00 0.00 N ATOM 378 CA TYR A 27 -0.845 -10.816 -0.969 1.00 0.00 C ATOM 379 C TYR A 27 -1.945 -11.645 -0.298 1.00 0.00 C ATOM 380 O TYR A 27 -2.052 -12.840 -0.564 1.00 0.00 O ATOM 381 CB TYR A 27 0.502 -10.941 -0.241 1.00 0.00 C ATOM 382 CG TYR A 27 1.618 -10.045 -0.769 1.00 0.00 C ATOM 383 CD1 TYR A 27 1.729 -9.761 -2.144 1.00 0.00 C ATOM 384 CD2 TYR A 27 2.550 -9.484 0.126 1.00 0.00 C ATOM 385 CE1 TYR A 27 2.732 -8.898 -2.613 1.00 0.00 C ATOM 386 CE2 TYR A 27 3.577 -8.649 -0.351 1.00 0.00 C ATOM 387 CZ TYR A 27 3.668 -8.356 -1.720 1.00 0.00 C ATOM 388 OH TYR A 27 4.667 -7.556 -2.195 1.00 0.00 O ATOM 0 H TYR A 27 -0.560 -8.806 -0.536 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.740 -11.219 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.347 -10.716 0.814 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.833 -11.978 -0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.038 -10.210 -2.842 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.476 -9.696 1.182 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.783 -8.651 -3.663 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.297 -8.233 0.338 1.00 0.00 H new ATOM 0 HH TYR A 27 5.508 -7.780 -1.744 1.00 0.00 H new ATOM 398 N TYR A 28 -2.774 -11.009 0.541 1.00 0.00 N ATOM 399 CA TYR A 28 -3.940 -11.614 1.164 1.00 0.00 C ATOM 400 C TYR A 28 -5.197 -11.288 0.350 1.00 0.00 C ATOM 401 O TYR A 28 -5.881 -12.201 -0.107 1.00 0.00 O ATOM 402 CB TYR A 28 -4.068 -11.121 2.612 1.00 0.00 C ATOM 403 CG TYR A 28 -2.788 -11.132 3.428 1.00 0.00 C ATOM 404 CD1 TYR A 28 -1.871 -12.195 3.324 1.00 0.00 C ATOM 405 CD2 TYR A 28 -2.520 -10.064 4.304 1.00 0.00 C ATOM 406 CE1 TYR A 28 -0.675 -12.167 4.059 1.00 0.00 C ATOM 407 CE2 TYR A 28 -1.344 -10.060 5.070 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.411 -11.101 4.933 1.00 0.00 C ATOM 409 OH TYR A 28 0.746 -11.075 5.656 1.00 0.00 O ATOM 0 H TYR A 28 -2.641 -10.033 0.807 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.824 -12.698 1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.458 -10.103 2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.807 -11.738 3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.088 -13.033 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.220 -9.246 4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.043 -12.967 3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.156 -9.256 5.766 1.00 0.00 H new ATOM 0 HH TYR A 28 1.453 -11.535 5.158 1.00 0.00 H new ATOM 419 N GLN A 29 -5.507 -9.994 0.182 1.00 0.00 N ATOM 420 CA GLN A 29 -6.702 -9.515 -0.501 1.00 0.00 C ATOM 421 C GLN A 29 -6.552 -8.040 -0.870 1.00 0.00 C ATOM 422 O GLN A 29 -5.656 -7.363 -0.369 1.00 0.00 O ATOM 423 CB GLN A 29 -7.955 -9.739 0.367 1.00 0.00 C ATOM 424 CG GLN A 29 -8.150 -8.739 1.520 1.00 0.00 C ATOM 425 CD GLN A 29 -7.037 -8.777 2.565 1.00 0.00 C ATOM 426 OE1 GLN A 29 -7.086 -9.577 3.496 1.00 0.00 O ATOM 427 NE2 GLN A 29 -6.039 -7.900 2.431 1.00 0.00 N ATOM 0 H GLN A 29 -4.915 -9.239 0.528 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.824 -10.087 -1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.833 -9.700 -0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.911 -10.745 0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.214 -7.732 1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.102 -8.944 2.009 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.033 -7.251 1.644 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.283 -7.879 3.115 1.00 0.00 H new ATOM 436 N SER A 30 -7.463 -7.530 -1.707 1.00 0.00 N ATOM 437 CA SER A 30 -7.540 -6.135 -2.117 1.00 0.00 C ATOM 438 C SER A 30 -6.248 -5.635 -2.765 1.00 0.00 C ATOM 439 O SER A 30 -5.457 -6.435 -3.263 1.00 0.00 O ATOM 440 CB SER A 30 -8.092 -5.269 -0.974 1.00 0.00 C ATOM 441 OG SER A 30 -7.143 -5.040 0.040 1.00 0.00 O ATOM 0 H SER A 30 -8.192 -8.105 -2.130 1.00 0.00 H new ATOM 0 HA SER A 30 -8.264 -6.044 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.426 -4.313 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.967 -5.757 -0.544 1.00 0.00 H new ATOM 0 HG SER A 30 -6.483 -5.764 0.040 1.00 0.00 H new ATOM 447 N CYS A 31 -6.091 -4.308 -2.818 1.00 0.00 N ATOM 448 CA CYS A 31 -5.147 -3.582 -3.653 1.00 0.00 C ATOM 449 C CYS A 31 -5.174 -4.086 -5.097 1.00 0.00 C ATOM 450 O CYS A 31 -5.926 -3.569 -5.920 1.00 0.00 O ATOM 451 CB CYS A 31 -3.750 -3.550 -3.027 1.00 0.00 C ATOM 452 SG CYS A 31 -2.445 -2.890 -4.104 1.00 0.00 S ATOM 0 H CYS A 31 -6.655 -3.682 -2.243 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.464 -2.540 -3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.789 -2.950 -2.118 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.478 -4.563 -2.729 1.00 0.00 H new ATOM 457 N CYS A 32 -4.336 -5.077 -5.403 1.00 0.00 N ATOM 458 CA CYS A 32 -4.106 -5.567 -6.748 1.00 0.00 C ATOM 459 C CYS A 32 -5.128 -6.636 -7.117 1.00 0.00 C ATOM 460 O CYS A 32 -5.551 -6.717 -8.267 1.00 0.00 O ATOM 461 CB CYS A 32 -2.683 -6.118 -6.822 1.00 0.00 C ATOM 462 SG CYS A 32 -1.981 -6.139 -8.491 1.00 0.00 S ATOM 0 H CYS A 32 -3.787 -5.569 -4.698 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.221 -4.753 -7.464 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.040 -5.520 -6.177 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.677 -7.133 -6.425 1.00 0.00 H new ATOM 467 N THR A 33 -5.508 -7.464 -6.137 1.00 0.00 N ATOM 468 CA THR A 33 -6.399 -8.592 -6.349 1.00 0.00 C ATOM 469 C THR A 33 -7.845 -8.128 -6.538 1.00 0.00 C ATOM 470 O THR A 33 -8.564 -8.718 -7.342 1.00 0.00 O ATOM 471 CB THR A 33 -6.258 -9.601 -5.203 1.00 0.00 C ATOM 472 OG1 THR A 33 -6.557 -8.998 -3.966 1.00 0.00 O ATOM 473 CG2 THR A 33 -4.843 -10.186 -5.142 1.00 0.00 C ATOM 0 H THR A 33 -5.199 -7.362 -5.170 1.00 0.00 H new ATOM 0 HA THR A 33 -6.112 -9.097 -7.271 1.00 0.00 H new ATOM 0 HB THR A 33 -6.966 -10.406 -5.398 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.988 -8.210 -3.840 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.778 -10.897 -4.318 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.619 -10.695 -6.079 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.124 -9.382 -4.985 1.00 0.00 H new ATOM 481 N ASP A 34 -8.265 -7.070 -5.829 1.00 0.00 N ATOM 482 CA ASP A 34 -9.589 -6.482 -5.995 1.00 0.00 C ATOM 483 C ASP A 34 -9.553 -4.968 -5.754 1.00 0.00 C ATOM 484 O ASP A 34 -9.107 -4.234 -6.634 1.00 0.00 O ATOM 485 CB ASP A 34 -10.656 -7.257 -5.196 1.00 0.00 C ATOM 486 CG ASP A 34 -10.335 -7.461 -3.717 1.00 0.00 C ATOM 487 OD1 ASP A 34 -9.625 -8.443 -3.407 1.00 0.00 O ATOM 488 OD2 ASP A 34 -10.806 -6.625 -2.914 1.00 0.00 O ATOM 0 H ASP A 34 -7.692 -6.603 -5.126 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.904 -6.589 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.605 -6.726 -5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.797 -8.233 -5.660 1.00 0.00 H new ATOM 493 N TYR A 35 -10.048 -4.486 -4.607 1.00 0.00 N ATOM 494 CA TYR A 35 -10.206 -3.066 -4.317 1.00 0.00 C ATOM 495 C TYR A 35 -8.855 -2.349 -4.317 1.00 0.00 C ATOM 496 O TYR A 35 -8.067 -2.522 -3.394 1.00 0.00 O ATOM 497 CB TYR A 35 -10.926 -2.905 -2.970 1.00 0.00 C ATOM 498 CG TYR A 35 -10.859 -1.510 -2.375 1.00 0.00 C ATOM 499 CD1 TYR A 35 -11.723 -0.497 -2.825 1.00 0.00 C ATOM 500 CD2 TYR A 35 -9.879 -1.209 -1.411 1.00 0.00 C ATOM 501 CE1 TYR A 35 -11.630 0.799 -2.287 1.00 0.00 C ATOM 502 CE2 TYR A 35 -9.777 0.086 -0.886 1.00 0.00 C ATOM 503 CZ TYR A 35 -10.664 1.087 -1.308 1.00 0.00 C ATOM 504 OH TYR A 35 -10.588 2.336 -0.763 1.00 0.00 O ATOM 0 H TYR A 35 -10.354 -5.089 -3.843 1.00 0.00 H new ATOM 0 HA TYR A 35 -10.809 -2.604 -5.099 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.973 -3.180 -3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.496 -3.610 -2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -12.459 -0.714 -3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -9.202 -1.980 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -12.302 1.574 -2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -9.015 0.314 -0.156 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.273 2.270 0.163 1.00 0.00 H new ATOM 514 N THR A 36 -8.615 -1.510 -5.331 1.00 0.00 N ATOM 515 CA THR A 36 -7.443 -0.648 -5.411 1.00 0.00 C ATOM 516 C THR A 36 -7.624 0.575 -4.503 1.00 0.00 C ATOM 517 O THR A 36 -8.486 0.573 -3.629 1.00 0.00 O ATOM 518 CB THR A 36 -7.160 -0.309 -6.885 1.00 0.00 C ATOM 519 OG1 THR A 36 -5.900 0.318 -7.016 1.00 0.00 O ATOM 520 CG2 THR A 36 -8.241 0.573 -7.523 1.00 0.00 C ATOM 0 H THR A 36 -9.243 -1.414 -6.129 1.00 0.00 H new ATOM 0 HA THR A 36 -6.556 -1.160 -5.037 1.00 0.00 H new ATOM 0 HB THR A 36 -7.163 -1.259 -7.420 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.247 -0.137 -6.444 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.980 0.774 -8.562 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.201 0.058 -7.483 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.311 1.514 -6.978 1.00 0.00 H new ATOM 528 N ALA A 37 -6.803 1.613 -4.702 1.00 0.00 N ATOM 529 CA ALA A 37 -6.847 2.899 -4.009 1.00 0.00 C ATOM 530 C ALA A 37 -6.143 2.863 -2.652 1.00 0.00 C ATOM 531 O ALA A 37 -5.470 3.831 -2.303 1.00 0.00 O ATOM 532 CB ALA A 37 -8.272 3.458 -3.898 1.00 0.00 C ATOM 0 H ALA A 37 -6.050 1.572 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.284 3.592 -4.633 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.248 4.414 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.686 3.601 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.896 2.757 -3.344 1.00 0.00 H new ATOM 538 N GLU A 38 -6.287 1.767 -1.896 1.00 0.00 N ATOM 539 CA GLU A 38 -5.580 1.542 -0.643 1.00 0.00 C ATOM 540 C GLU A 38 -5.012 0.127 -0.639 1.00 0.00 C ATOM 541 O GLU A 38 -5.514 -0.751 -1.342 1.00 0.00 O ATOM 542 CB GLU A 38 -6.532 1.749 0.549 1.00 0.00 C ATOM 543 CG GLU A 38 -5.899 2.523 1.712 1.00 0.00 C ATOM 544 CD GLU A 38 -4.766 1.771 2.397 1.00 0.00 C ATOM 545 OE1 GLU A 38 -5.077 0.859 3.192 1.00 0.00 O ATOM 546 OE2 GLU A 38 -3.599 2.113 2.105 1.00 0.00 O ATOM 0 H GLU A 38 -6.912 1.001 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.762 2.257 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.418 2.284 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.866 0.776 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.520 3.475 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.670 2.752 2.448 1.00 0.00 H new ATOM 553 N CYS A 39 -3.981 -0.081 0.185 1.00 0.00 N ATOM 554 CA CYS A 39 -3.476 -1.382 0.583 1.00 0.00 C ATOM 555 C CYS A 39 -4.644 -2.251 1.048 1.00 0.00 C ATOM 556 O CYS A 39 -4.958 -3.256 0.417 1.00 0.00 O ATOM 557 CB CYS A 39 -2.444 -1.164 1.700 1.00 0.00 C ATOM 558 SG CYS A 39 -1.481 -2.590 2.276 1.00 0.00 S ATOM 0 H CYS A 39 -3.460 0.689 0.605 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.993 -1.897 -0.247 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.741 -0.405 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.969 -0.749 2.560 1.00 0.00 H new ATOM 563 N LYS A 40 -5.282 -1.847 2.150 1.00 0.00 N ATOM 564 CA LYS A 40 -6.332 -2.589 2.832 1.00 0.00 C ATOM 565 C LYS A 40 -7.649 -2.461 2.061 1.00 0.00 C ATOM 566 O LYS A 40 -7.791 -1.540 1.259 1.00 0.00 O ATOM 567 CB LYS A 40 -6.498 -1.983 4.233 1.00 0.00 C ATOM 568 CG LYS A 40 -5.219 -2.085 5.077 1.00 0.00 C ATOM 569 CD LYS A 40 -5.384 -1.421 6.450 1.00 0.00 C ATOM 570 CE LYS A 40 -5.422 0.107 6.330 1.00 0.00 C ATOM 571 NZ LYS A 40 -5.624 0.756 7.635 1.00 0.00 N ATOM 0 H LYS A 40 -5.069 -0.959 2.605 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.068 -3.645 2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.785 -0.935 4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.312 -2.491 4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.955 -3.134 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.393 -1.614 4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.303 -1.774 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.561 -1.716 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.489 0.460 5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.224 0.398 5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.361 1.760 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.624 0.678 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.030 0.290 8.350 1.00 0.00 H new ATOM 585 N PRO A 41 -8.648 -3.317 2.334 1.00 0.00 N ATOM 586 CA PRO A 41 -10.015 -3.122 1.874 1.00 0.00 C ATOM 587 C PRO A 41 -10.702 -2.036 2.718 1.00 0.00 C ATOM 588 O PRO A 41 -11.700 -2.306 3.385 1.00 0.00 O ATOM 589 CB PRO A 41 -10.670 -4.498 2.032 1.00 0.00 C ATOM 590 CG PRO A 41 -9.968 -5.069 3.264 1.00 0.00 C ATOM 591 CD PRO A 41 -8.539 -4.551 3.100 1.00 0.00 C ATOM 0 HA PRO A 41 -10.084 -2.775 0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.747 -4.418 2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.515 -5.123 1.152 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.423 -4.718 4.190 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.005 -6.158 3.284 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.076 -4.369 4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.916 -5.280 2.581 1.00 0.00 H new ATOM 599 N GLN A 42 -10.150 -0.815 2.716 1.00 0.00 N ATOM 600 CA GLN A 42 -10.586 0.286 3.566 1.00 0.00 C ATOM 601 C GLN A 42 -10.388 1.621 2.845 1.00 0.00 C ATOM 602 O GLN A 42 -9.688 1.697 1.837 1.00 0.00 O ATOM 603 CB GLN A 42 -9.812 0.279 4.892 1.00 0.00 C ATOM 604 CG GLN A 42 -10.038 -0.994 5.717 1.00 0.00 C ATOM 605 CD GLN A 42 -9.327 -0.963 7.069 1.00 0.00 C ATOM 606 OE1 GLN A 42 -8.462 -0.125 7.320 1.00 0.00 O ATOM 607 NE2 GLN A 42 -9.687 -1.896 7.952 1.00 0.00 N ATOM 0 H GLN A 42 -9.370 -0.566 2.107 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.647 0.158 3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.747 0.385 4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.109 1.145 5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.107 -1.131 5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.688 -1.856 5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.408 -2.576 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.241 -1.930 8.869 1.00 0.00 H new ATOM 616 N VAL A 43 -11.017 2.678 3.372 1.00 0.00 N ATOM 617 CA VAL A 43 -11.067 3.992 2.744 1.00 0.00 C ATOM 618 C VAL A 43 -9.682 4.637 2.787 1.00 0.00 C ATOM 619 O VAL A 43 -9.059 4.698 3.845 1.00 0.00 O ATOM 620 CB VAL A 43 -12.118 4.862 3.453 1.00 0.00 C ATOM 621 CG1 VAL A 43 -12.219 6.244 2.795 1.00 0.00 C ATOM 622 CG2 VAL A 43 -13.499 4.192 3.412 1.00 0.00 C ATOM 0 H VAL A 43 -11.512 2.637 4.263 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.359 3.894 1.698 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.800 4.976 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.969 6.840 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.253 6.746 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.507 6.129 1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.226 4.826 3.920 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.803 4.049 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -13.449 3.225 3.912 1.00 0.00 H new ATOM 632 N THR A 44 -9.203 5.112 1.634 1.00 0.00 N ATOM 633 CA THR A 44 -7.841 5.597 1.474 1.00 0.00 C ATOM 634 C THR A 44 -7.687 7.020 2.013 1.00 0.00 C ATOM 635 O THR A 44 -8.579 7.848 1.831 1.00 0.00 O ATOM 636 CB THR A 44 -7.435 5.471 -0.002 1.00 0.00 C ATOM 637 OG1 THR A 44 -6.041 5.614 -0.125 1.00 0.00 O ATOM 638 CG2 THR A 44 -8.130 6.478 -0.924 1.00 0.00 C ATOM 0 H THR A 44 -9.760 5.169 0.781 1.00 0.00 H new ATOM 0 HA THR A 44 -7.162 4.985 2.067 1.00 0.00 H new ATOM 0 HB THR A 44 -7.757 4.480 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.716 5.041 -0.851 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.792 6.326 -1.949 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.209 6.334 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.884 7.491 -0.607 1.00 0.00 H new ATOM 646 N ARG A 45 -6.552 7.297 2.673 1.00 0.00 N ATOM 647 CA ARG A 45 -6.210 8.615 3.193 1.00 0.00 C ATOM 648 C ARG A 45 -4.709 8.656 3.524 1.00 0.00 C ATOM 649 O ARG A 45 -3.903 8.938 2.638 1.00 0.00 O ATOM 650 CB ARG A 45 -7.125 8.968 4.378 1.00 0.00 C ATOM 651 CG ARG A 45 -6.875 10.380 4.926 1.00 0.00 C ATOM 652 CD ARG A 45 -7.703 10.626 6.195 1.00 0.00 C ATOM 653 NE ARG A 45 -7.451 9.615 7.233 1.00 0.00 N ATOM 654 CZ ARG A 45 -6.301 9.467 7.914 1.00 0.00 C ATOM 655 NH1 ARG A 45 -5.297 10.338 7.751 1.00 0.00 N ATOM 656 NH2 ARG A 45 -6.159 8.437 8.758 1.00 0.00 N ATOM 0 H ARG A 45 -5.838 6.593 2.860 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.385 9.387 2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.166 8.884 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.973 8.242 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.815 10.507 5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.133 11.120 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.471 11.615 6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.763 10.625 5.940 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.212 8.973 7.455 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.401 11.121 7.106 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.428 10.218 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.921 7.770 8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.289 8.319 9.277 1.00 0.00 H new ATOM 670 N GLY A 46 -4.321 8.389 4.781 1.00 0.00 N ATOM 671 CA GLY A 46 -2.935 8.442 5.225 1.00 0.00 C ATOM 672 C GLY A 46 -2.755 7.753 6.578 1.00 0.00 C ATOM 673 O GLY A 46 -3.708 7.183 7.107 1.00 0.00 O ATOM 0 H GLY A 46 -4.974 8.128 5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.295 7.963 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.615 9.481 5.299 1.00 0.00 H new ATOM 677 N ASP A 47 -1.527 7.828 7.116 1.00 0.00 N ATOM 678 CA ASP A 47 -1.060 7.253 8.380 1.00 0.00 C ATOM 679 C ASP A 47 -1.386 5.765 8.549 1.00 0.00 C ATOM 680 O ASP A 47 -0.543 4.925 8.239 1.00 0.00 O ATOM 681 CB ASP A 47 -1.405 8.126 9.600 1.00 0.00 C ATOM 682 CG ASP A 47 -2.850 8.607 9.653 1.00 0.00 C ATOM 683 OD1 ASP A 47 -3.722 7.800 10.041 1.00 0.00 O ATOM 684 OD2 ASP A 47 -3.066 9.783 9.291 1.00 0.00 O ATOM 0 H ASP A 47 -0.780 8.332 6.638 1.00 0.00 H new ATOM 0 HA ASP A 47 0.028 7.269 8.322 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.192 7.559 10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.747 8.995 9.605 1.00 0.00 H new ATOM 689 N VAL A 48 -2.580 5.424 9.046 1.00 0.00 N ATOM 690 CA VAL A 48 -3.010 4.035 9.167 1.00 0.00 C ATOM 691 C VAL A 48 -3.240 3.430 7.778 1.00 0.00 C ATOM 692 O VAL A 48 -3.022 2.237 7.582 1.00 0.00 O ATOM 693 CB VAL A 48 -4.252 3.908 10.067 1.00 0.00 C ATOM 694 CG1 VAL A 48 -3.964 4.451 11.471 1.00 0.00 C ATOM 695 CG2 VAL A 48 -5.491 4.594 9.482 1.00 0.00 C ATOM 0 H VAL A 48 -3.269 6.102 9.373 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.216 3.466 9.652 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.476 2.843 10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.856 4.351 12.090 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.146 3.886 11.919 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.685 5.502 11.404 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.332 4.468 10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.289 5.657 9.347 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.734 4.146 8.519 1.00 0.00 H new ATOM 705 N PHE A 49 -3.652 4.265 6.818 1.00 0.00 N ATOM 706 CA PHE A 49 -3.646 3.957 5.397 1.00 0.00 C ATOM 707 C PHE A 49 -2.291 4.367 4.821 1.00 0.00 C ATOM 708 O PHE A 49 -1.521 5.043 5.497 1.00 0.00 O ATOM 709 CB PHE A 49 -4.787 4.719 4.721 1.00 0.00 C ATOM 710 CG PHE A 49 -6.109 4.590 5.449 1.00 0.00 C ATOM 711 CD1 PHE A 49 -6.771 3.353 5.470 1.00 0.00 C ATOM 712 CD2 PHE A 49 -6.589 5.647 6.245 1.00 0.00 C ATOM 713 CE1 PHE A 49 -7.905 3.177 6.279 1.00 0.00 C ATOM 714 CE2 PHE A 49 -7.762 5.491 6.999 1.00 0.00 C ATOM 715 CZ PHE A 49 -8.415 4.249 7.025 1.00 0.00 C ATOM 0 H PHE A 49 -4.008 5.199 7.022 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.795 2.891 5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.520 5.773 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.905 4.353 3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.408 2.536 4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.051 6.583 6.276 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.387 2.212 6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.161 6.324 7.558 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.308 4.119 7.618 1.00 0.00 H new ATOM 725 N THR A 50 -2.004 3.969 3.578 1.00 0.00 N ATOM 726 CA THR A 50 -0.710 4.159 2.934 1.00 0.00 C ATOM 727 C THR A 50 0.311 3.221 3.573 1.00 0.00 C ATOM 728 O THR A 50 1.115 3.634 4.407 1.00 0.00 O ATOM 729 CB THR A 50 -0.264 5.633 2.914 1.00 0.00 C ATOM 730 OG1 THR A 50 -1.326 6.436 2.447 1.00 0.00 O ATOM 731 CG2 THR A 50 0.943 5.825 1.992 1.00 0.00 C ATOM 0 H THR A 50 -2.683 3.496 2.982 1.00 0.00 H new ATOM 0 HA THR A 50 -0.798 3.895 1.880 1.00 0.00 H new ATOM 0 HB THR A 50 0.016 5.922 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.074 6.388 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.240 6.874 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.772 5.213 2.346 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.678 5.525 0.978 1.00 0.00 H new ATOM 739 N MET A 51 0.254 1.947 3.177 1.00 0.00 N ATOM 740 CA MET A 51 1.107 0.892 3.694 1.00 0.00 C ATOM 741 C MET A 51 1.161 -0.254 2.680 1.00 0.00 C ATOM 742 O MET A 51 1.454 -1.387 3.055 1.00 0.00 O ATOM 743 CB MET A 51 0.612 0.447 5.080 1.00 0.00 C ATOM 744 CG MET A 51 -0.881 0.093 5.092 1.00 0.00 C ATOM 745 SD MET A 51 -1.489 -0.649 6.629 1.00 0.00 S ATOM 746 CE MET A 51 -0.769 -2.306 6.494 1.00 0.00 C ATOM 0 H MET A 51 -0.405 1.620 2.471 1.00 0.00 H new ATOM 0 HA MET A 51 2.126 1.255 3.830 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.189 -0.419 5.406 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.798 1.244 5.800 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.454 0.999 4.894 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.081 -0.596 4.271 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.148 -2.934 7.300 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.041 -2.744 5.534 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.316 -2.238 6.567 1.00 0.00 H new TER 756 MET A 51 HETATM 757 O OH A 52 0.889 0.087 1.388 1.00 0.00 O