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 40 LYS NZ :NH3+ -167:sc= 1.25 (180deg=0.801) USER MOD Set 1.2: A 42 GLN : amide:sc= 0.531 K(o=1.8,f=-3.9) USER MOD Set 2.1: A 29 GLN : amide:sc= 0.894 K(o=2.5,f=0.78) USER MOD Set 2.2: A 33 THR OG1 : rot 108:sc= 1.56 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 176:sc= 2 (180deg=1.89) USER MOD Set 3.2: A 26 SER OG : rot -154:sc= 0.88 USER MOD Set 4.1: A 17 LYS NZ :NH3+ -147:sc= 0.764 (180deg=0.0173) USER MOD Set 4.2: A 20 GLN : amide:sc= 0.558 K(o=1.3,f=-5!) USER MOD Single : A 1 ASP N :NH3+ -171:sc= 1.96 (180deg=1.74) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.381 K(o=0.38,f=-3.6!) USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 1.13 (180deg=1.13) USER MOD Single : A 27 TYR OH : rot 5:sc= 0.936 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 162:sc= 0.573 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 48:sc= 0.427 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0606 USER MOD Single : A 50 THR OG1 : rot 68:sc= 0.258 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 5.785 -5.759 5.716 1.00 0.00 N ATOM 2 CA ASP A 1 5.320 -6.956 5.004 1.00 0.00 C ATOM 3 C ASP A 1 5.459 -8.188 5.883 1.00 0.00 C ATOM 4 O ASP A 1 6.177 -8.167 6.881 1.00 0.00 O ATOM 5 CB ASP A 1 6.099 -7.175 3.704 1.00 0.00 C ATOM 6 CG ASP A 1 5.914 -6.022 2.731 1.00 0.00 C ATOM 7 OD1 ASP A 1 6.675 -5.042 2.864 1.00 0.00 O ATOM 8 OD2 ASP A 1 5.031 -6.154 1.858 1.00 0.00 O ATOM 0 H1 ASP A 1 5.544 -4.911 5.164 1.00 0.00 H new ATOM 0 H2 ASP A 1 5.325 -5.709 6.647 1.00 0.00 H new ATOM 0 H3 ASP A 1 6.816 -5.808 5.841 1.00 0.00 H new ATOM 0 HA ASP A 1 4.270 -6.797 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 1 7.159 -7.292 3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 1 5.769 -8.102 3.235 1.00 0.00 H new ATOM 15 N GLN A 2 4.808 -9.275 5.462 1.00 0.00 N ATOM 16 CA GLN A 2 5.102 -10.613 5.940 1.00 0.00 C ATOM 17 C GLN A 2 6.575 -10.898 5.644 1.00 0.00 C ATOM 18 O GLN A 2 7.323 -11.317 6.525 1.00 0.00 O ATOM 19 CB GLN A 2 4.174 -11.582 5.201 1.00 0.00 C ATOM 20 CG GLN A 2 4.337 -13.044 5.622 1.00 0.00 C ATOM 21 CD GLN A 2 3.481 -13.949 4.738 1.00 0.00 C ATOM 22 OE1 GLN A 2 4.007 -14.772 3.994 1.00 0.00 O ATOM 23 NE2 GLN A 2 2.157 -13.791 4.806 1.00 0.00 N ATOM 0 H GLN A 2 4.056 -9.243 4.773 1.00 0.00 H new ATOM 0 HA GLN A 2 4.937 -10.723 7.012 1.00 0.00 H new ATOM 0 HB2 GLN A 2 3.141 -11.279 5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 2 4.359 -11.500 4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.384 -13.336 5.547 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.046 -13.164 6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.758 -13.096 5.437 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.544 -14.365 4.227 1.00 0.00 H new ATOM 32 N GLU A 3 6.987 -10.617 4.402 1.00 0.00 N ATOM 33 CA GLU A 3 8.352 -10.764 3.928 1.00 0.00 C ATOM 34 C GLU A 3 9.124 -9.471 4.204 1.00 0.00 C ATOM 35 O GLU A 3 9.526 -8.768 3.278 1.00 0.00 O ATOM 36 CB GLU A 3 8.324 -11.106 2.433 1.00 0.00 C ATOM 37 CG GLU A 3 7.535 -12.390 2.144 1.00 0.00 C ATOM 38 CD GLU A 3 7.251 -12.542 0.653 1.00 0.00 C ATOM 39 OE1 GLU A 3 8.221 -12.444 -0.127 1.00 0.00 O ATOM 40 OE2 GLU A 3 6.060 -12.735 0.321 1.00 0.00 O ATOM 0 H GLU A 3 6.352 -10.270 3.683 1.00 0.00 H new ATOM 0 HA GLU A 3 8.860 -11.573 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 3 7.880 -10.277 1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.345 -11.220 2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 3 8.098 -13.253 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.595 -12.374 2.696 1.00 0.00 H new ATOM 47 N SER A 4 9.324 -9.170 5.493 1.00 0.00 N ATOM 48 CA SER A 4 10.120 -8.052 5.983 1.00 0.00 C ATOM 49 C SER A 4 9.594 -6.702 5.483 1.00 0.00 C ATOM 50 O SER A 4 8.617 -6.201 6.033 1.00 0.00 O ATOM 51 CB SER A 4 11.609 -8.288 5.693 1.00 0.00 C ATOM 52 OG SER A 4 12.025 -9.495 6.295 1.00 0.00 O ATOM 0 H SER A 4 8.918 -9.723 6.247 1.00 0.00 H new ATOM 0 HA SER A 4 10.018 -8.001 7.067 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.778 -8.330 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.200 -7.456 6.076 1.00 0.00 H new ATOM 0 HG SER A 4 12.975 -9.644 6.107 1.00 0.00 H new ATOM 58 N CYS A 5 10.242 -6.106 4.471 1.00 0.00 N ATOM 59 CA CYS A 5 9.910 -4.790 3.937 1.00 0.00 C ATOM 60 C CYS A 5 10.078 -4.806 2.417 1.00 0.00 C ATOM 61 O CYS A 5 10.807 -3.985 1.862 1.00 0.00 O ATOM 62 CB CYS A 5 10.806 -3.718 4.579 1.00 0.00 C ATOM 63 SG CYS A 5 10.608 -3.416 6.358 1.00 0.00 S ATOM 0 H CYS A 5 11.031 -6.543 3.994 1.00 0.00 H new ATOM 0 HA CYS A 5 8.874 -4.547 4.174 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.845 -3.995 4.398 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.632 -2.777 4.057 1.00 0.00 H new ATOM 68 N LYS A 6 9.403 -5.738 1.734 1.00 0.00 N ATOM 69 CA LYS A 6 9.435 -5.816 0.278 1.00 0.00 C ATOM 70 C LYS A 6 8.645 -4.673 -0.368 1.00 0.00 C ATOM 71 O LYS A 6 9.007 -4.229 -1.456 1.00 0.00 O ATOM 72 CB LYS A 6 8.965 -7.193 -0.217 1.00 0.00 C ATOM 73 CG LYS A 6 7.545 -7.553 0.231 1.00 0.00 C ATOM 74 CD LYS A 6 7.040 -8.796 -0.506 1.00 0.00 C ATOM 75 CE LYS A 6 5.717 -9.290 0.089 1.00 0.00 C ATOM 76 NZ LYS A 6 4.669 -8.259 0.052 1.00 0.00 N ATOM 0 H LYS A 6 8.824 -6.452 2.176 1.00 0.00 H new ATOM 0 HA LYS A 6 10.472 -5.697 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.010 -7.213 -1.306 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.655 -7.955 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.533 -7.732 1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.875 -6.715 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.904 -8.566 -1.563 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.787 -9.587 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.379 -10.168 -0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.879 -9.603 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.775 -8.660 0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.949 -7.458 0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.541 -7.929 -0.926 1.00 0.00 H new ATOM 90 N GLY A 7 7.578 -4.202 0.292 1.00 0.00 N ATOM 91 CA GLY A 7 6.696 -3.157 -0.205 1.00 0.00 C ATOM 92 C GLY A 7 6.509 -2.090 0.867 1.00 0.00 C ATOM 93 O GLY A 7 7.029 -0.984 0.732 1.00 0.00 O ATOM 0 H GLY A 7 7.304 -4.552 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.117 -2.711 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.731 -3.583 -0.480 1.00 0.00 H new ATOM 97 N ARG A 8 5.748 -2.422 1.916 1.00 0.00 N ATOM 98 CA ARG A 8 5.386 -1.523 2.998 1.00 0.00 C ATOM 99 C ARG A 8 5.437 -2.289 4.314 1.00 0.00 C ATOM 100 O ARG A 8 4.863 -3.372 4.419 1.00 0.00 O ATOM 101 CB ARG A 8 3.972 -0.968 2.800 1.00 0.00 C ATOM 102 CG ARG A 8 3.702 -0.415 1.399 1.00 0.00 C ATOM 103 CD ARG A 8 2.454 0.461 1.476 1.00 0.00 C ATOM 104 NE ARG A 8 1.829 0.622 0.163 1.00 0.00 N ATOM 105 CZ ARG A 8 0.739 1.371 -0.050 1.00 0.00 C ATOM 106 NH1 ARG A 8 0.322 2.247 0.875 1.00 0.00 N ATOM 107 NH2 ARG A 8 0.071 1.221 -1.198 1.00 0.00 N ATOM 0 H ARG A 8 5.358 -3.357 2.031 1.00 0.00 H new ATOM 0 HA ARG A 8 6.089 -0.690 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.252 -1.758 3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.800 -0.177 3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.555 0.165 1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.554 -1.229 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.739 0.017 2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.719 1.440 1.876 1.00 0.00 H new ATOM 0 HE ARG A 8 2.245 0.138 -0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.836 2.348 1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.509 2.813 0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.394 0.546 -1.891 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.762 1.781 -1.381 1.00 0.00 H new ATOM 121 N CYS A 9 6.107 -1.720 5.321 1.00 0.00 N ATOM 122 CA CYS A 9 6.283 -2.330 6.629 1.00 0.00 C ATOM 123 C CYS A 9 6.234 -1.257 7.712 1.00 0.00 C ATOM 124 O CYS A 9 6.066 -0.077 7.409 1.00 0.00 O ATOM 125 CB CYS A 9 7.611 -3.087 6.648 1.00 0.00 C ATOM 126 SG CYS A 9 9.083 -2.050 6.475 1.00 0.00 S ATOM 0 H CYS A 9 6.548 -0.804 5.241 1.00 0.00 H new ATOM 0 HA CYS A 9 5.478 -3.037 6.828 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.683 -3.641 7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.605 -3.821 5.842 1.00 0.00 H new ATOM 131 N THR A 10 6.363 -1.668 8.977 1.00 0.00 N ATOM 132 CA THR A 10 6.291 -0.775 10.122 1.00 0.00 C ATOM 133 C THR A 10 7.367 0.305 10.024 1.00 0.00 C ATOM 134 O THR A 10 7.070 1.494 10.134 1.00 0.00 O ATOM 135 CB THR A 10 6.435 -1.604 11.406 1.00 0.00 C ATOM 136 OG1 THR A 10 5.497 -2.662 11.379 1.00 0.00 O ATOM 137 CG2 THR A 10 6.193 -0.752 12.655 1.00 0.00 C ATOM 0 H THR A 10 6.522 -2.643 9.231 1.00 0.00 H new ATOM 0 HA THR A 10 5.327 -0.266 10.139 1.00 0.00 H new ATOM 0 HB THR A 10 7.453 -1.991 11.450 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.584 -3.197 12.195 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.303 -1.372 13.545 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.918 0.061 12.687 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.185 -0.338 12.623 1.00 0.00 H new ATOM 145 N GLU A 11 8.615 -0.118 9.803 1.00 0.00 N ATOM 146 CA GLU A 11 9.785 0.744 9.771 1.00 0.00 C ATOM 147 C GLU A 11 9.992 1.322 8.367 1.00 0.00 C ATOM 148 O GLU A 11 11.064 1.187 7.780 1.00 0.00 O ATOM 149 CB GLU A 11 11.014 -0.008 10.315 1.00 0.00 C ATOM 150 CG GLU A 11 11.300 -1.369 9.660 1.00 0.00 C ATOM 151 CD GLU A 11 10.477 -2.504 10.269 1.00 0.00 C ATOM 152 OE1 GLU A 11 10.909 -3.017 11.323 1.00 0.00 O ATOM 153 OE2 GLU A 11 9.420 -2.826 9.683 1.00 0.00 O ATOM 0 H GLU A 11 8.838 -1.099 9.637 1.00 0.00 H new ATOM 0 HA GLU A 11 9.629 1.599 10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.891 0.627 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.880 -0.161 11.386 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.088 -1.305 8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.360 -1.600 9.761 1.00 0.00 H new ATOM 160 N GLY A 12 8.966 2.000 7.840 1.00 0.00 N ATOM 161 CA GLY A 12 9.054 2.714 6.577 1.00 0.00 C ATOM 162 C GLY A 12 7.662 3.044 6.052 1.00 0.00 C ATOM 163 O GLY A 12 7.282 4.211 5.976 1.00 0.00 O ATOM 0 H GLY A 12 8.051 2.064 8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.626 3.632 6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.590 2.108 5.847 1.00 0.00 H new ATOM 167 N PHE A 13 6.924 1.993 5.680 1.00 0.00 N ATOM 168 CA PHE A 13 5.590 2.014 5.100 1.00 0.00 C ATOM 169 C PHE A 13 5.575 2.585 3.683 1.00 0.00 C ATOM 170 O PHE A 13 5.248 1.861 2.750 1.00 0.00 O ATOM 171 CB PHE A 13 4.555 2.682 6.012 1.00 0.00 C ATOM 172 CG PHE A 13 3.139 2.471 5.510 1.00 0.00 C ATOM 173 CD1 PHE A 13 2.522 1.217 5.676 1.00 0.00 C ATOM 174 CD2 PHE A 13 2.510 3.459 4.733 1.00 0.00 C ATOM 175 CE1 PHE A 13 1.282 0.956 5.073 1.00 0.00 C ATOM 176 CE2 PHE A 13 1.263 3.201 4.140 1.00 0.00 C ATOM 177 CZ PHE A 13 0.651 1.948 4.306 1.00 0.00 C ATOM 0 H PHE A 13 7.274 1.041 5.787 1.00 0.00 H new ATOM 0 HA PHE A 13 5.286 0.971 5.013 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.646 2.279 7.021 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.762 3.750 6.075 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.004 0.454 6.269 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.986 4.418 4.592 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.813 -0.009 5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.775 3.967 3.556 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.304 1.748 3.844 1.00 0.00 H new ATOM 187 N ASN A 14 5.902 3.871 3.525 1.00 0.00 N ATOM 188 CA ASN A 14 5.866 4.585 2.256 1.00 0.00 C ATOM 189 C ASN A 14 4.434 4.691 1.725 1.00 0.00 C ATOM 190 O ASN A 14 3.961 3.824 0.993 1.00 0.00 O ATOM 191 CB ASN A 14 6.826 3.966 1.231 1.00 0.00 C ATOM 192 CG ASN A 14 6.844 4.792 -0.050 1.00 0.00 C ATOM 193 OD1 ASN A 14 6.101 4.504 -0.984 1.00 0.00 O ATOM 194 ND2 ASN A 14 7.687 5.824 -0.093 1.00 0.00 N ATOM 0 H ASN A 14 6.207 4.456 4.302 1.00 0.00 H new ATOM 0 HA ASN A 14 6.218 5.601 2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.831 3.913 1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.519 2.944 1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.733 6.411 -0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.286 6.027 0.707 1.00 0.00 H new ATOM 201 N VAL A 15 3.762 5.792 2.076 1.00 0.00 N ATOM 202 CA VAL A 15 2.432 6.121 1.587 1.00 0.00 C ATOM 203 C VAL A 15 2.486 6.727 0.176 1.00 0.00 C ATOM 204 O VAL A 15 1.441 6.968 -0.427 1.00 0.00 O ATOM 205 CB VAL A 15 1.741 7.038 2.613 1.00 0.00 C ATOM 206 CG1 VAL A 15 2.341 8.449 2.647 1.00 0.00 C ATOM 207 CG2 VAL A 15 0.230 7.119 2.377 1.00 0.00 C ATOM 0 H VAL A 15 4.139 6.488 2.720 1.00 0.00 H new ATOM 0 HA VAL A 15 1.837 5.213 1.487 1.00 0.00 H new ATOM 0 HB VAL A 15 1.920 6.578 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.814 9.051 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.397 8.389 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.239 8.912 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.220 7.776 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.038 7.516 1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.205 6.123 2.461 1.00 0.00 H new ATOM 217 N ASP A 16 3.690 6.966 -0.366 1.00 0.00 N ATOM 218 CA ASP A 16 3.850 7.436 -1.734 1.00 0.00 C ATOM 219 C ASP A 16 3.251 6.418 -2.703 1.00 0.00 C ATOM 220 O ASP A 16 2.476 6.797 -3.580 1.00 0.00 O ATOM 221 CB ASP A 16 5.317 7.723 -2.056 1.00 0.00 C ATOM 222 CG ASP A 16 5.451 8.291 -3.464 1.00 0.00 C ATOM 223 OD1 ASP A 16 4.908 9.394 -3.685 1.00 0.00 O ATOM 224 OD2 ASP A 16 6.080 7.602 -4.297 1.00 0.00 O ATOM 0 H ASP A 16 4.569 6.837 0.135 1.00 0.00 H new ATOM 0 HA ASP A 16 3.313 8.378 -1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.723 8.429 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.901 6.807 -1.970 1.00 0.00 H new ATOM 229 N LYS A 17 3.541 5.125 -2.494 1.00 0.00 N ATOM 230 CA LYS A 17 2.729 4.075 -3.087 1.00 0.00 C ATOM 231 C LYS A 17 1.304 4.227 -2.564 1.00 0.00 C ATOM 232 O LYS A 17 1.069 4.104 -1.363 1.00 0.00 O ATOM 233 CB LYS A 17 3.238 2.675 -2.727 1.00 0.00 C ATOM 234 CG LYS A 17 4.595 2.346 -3.356 1.00 0.00 C ATOM 235 CD LYS A 17 4.866 0.836 -3.291 1.00 0.00 C ATOM 236 CE LYS A 17 4.197 0.103 -4.461 1.00 0.00 C ATOM 237 NZ LYS A 17 4.374 -1.357 -4.372 1.00 0.00 N ATOM 0 H LYS A 17 4.321 4.794 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 17 2.777 4.176 -4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.318 2.592 -1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.506 1.935 -3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.612 2.680 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.385 2.886 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.941 0.655 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.494 0.437 -2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.133 0.339 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.616 0.462 -5.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.441 -1.758 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.246 -1.570 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.560 -1.776 -3.878 1.00 0.00 H new ATOM 251 N LYS A 18 0.361 4.490 -3.469 1.00 0.00 N ATOM 252 CA LYS A 18 -1.053 4.507 -3.153 1.00 0.00 C ATOM 253 C LYS A 18 -1.577 3.078 -3.246 1.00 0.00 C ATOM 254 O LYS A 18 -2.217 2.604 -2.311 1.00 0.00 O ATOM 255 CB LYS A 18 -1.795 5.452 -4.101 1.00 0.00 C ATOM 256 CG LYS A 18 -1.224 6.878 -4.095 1.00 0.00 C ATOM 257 CD LYS A 18 -1.443 7.592 -2.754 1.00 0.00 C ATOM 258 CE LYS A 18 -0.749 8.955 -2.731 1.00 0.00 C ATOM 259 NZ LYS A 18 0.713 8.821 -2.589 1.00 0.00 N ATOM 0 H LYS A 18 0.566 4.698 -4.446 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.219 4.880 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.748 5.052 -5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.848 5.487 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.157 6.840 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.691 7.457 -4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.511 7.722 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.060 6.973 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.977 9.495 -3.650 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.142 9.549 -1.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.145 9.766 -2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.931 8.298 -1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.095 8.305 -3.407 1.00 0.00 H new ATOM 273 N CYS A 19 -1.247 2.393 -4.345 1.00 0.00 N ATOM 274 CA CYS A 19 -1.518 0.983 -4.589 1.00 0.00 C ATOM 275 C CYS A 19 -0.951 0.640 -5.962 1.00 0.00 C ATOM 276 O CYS A 19 -1.223 1.349 -6.929 1.00 0.00 O ATOM 277 CB CYS A 19 -3.022 0.694 -4.541 1.00 0.00 C ATOM 278 SG CYS A 19 -3.558 -0.882 -5.261 1.00 0.00 S ATOM 0 H CYS A 19 -0.759 2.834 -5.125 1.00 0.00 H new ATOM 0 HA CYS A 19 -1.051 0.372 -3.816 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.343 0.722 -3.500 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.543 1.501 -5.057 1.00 0.00 H new ATOM 283 N GLN A 20 -0.163 -0.438 -6.035 1.00 0.00 N ATOM 284 CA GLN A 20 0.360 -1.012 -7.265 1.00 0.00 C ATOM 285 C GLN A 20 -0.202 -2.426 -7.395 1.00 0.00 C ATOM 286 O GLN A 20 -0.886 -2.732 -8.366 1.00 0.00 O ATOM 287 CB GLN A 20 1.893 -1.008 -7.208 1.00 0.00 C ATOM 288 CG GLN A 20 2.524 -1.571 -8.487 1.00 0.00 C ATOM 289 CD GLN A 20 4.047 -1.627 -8.385 1.00 0.00 C ATOM 290 OE1 GLN A 20 4.604 -1.632 -7.288 1.00 0.00 O ATOM 291 NE2 GLN A 20 4.726 -1.673 -9.532 1.00 0.00 N ATOM 0 H GLN A 20 0.135 -0.949 -5.204 1.00 0.00 H new ATOM 0 HA GLN A 20 0.062 -0.433 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.246 0.011 -7.050 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.224 -1.597 -6.352 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.134 -2.571 -8.676 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.238 -0.952 -9.337 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.226 -1.667 -10.421 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.745 -1.714 -9.520 1.00 0.00 H new ATOM 300 N CYS A 21 0.096 -3.271 -6.401 1.00 0.00 N ATOM 301 CA CYS A 21 -0.378 -4.641 -6.266 1.00 0.00 C ATOM 302 C CYS A 21 0.239 -5.202 -4.988 1.00 0.00 C ATOM 303 O CYS A 21 -0.472 -5.489 -4.026 1.00 0.00 O ATOM 304 CB CYS A 21 0.006 -5.505 -7.477 1.00 0.00 C ATOM 305 SG CYS A 21 -0.247 -7.288 -7.241 1.00 0.00 S ATOM 0 H CYS A 21 0.707 -2.997 -5.632 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.467 -4.653 -6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.576 -5.179 -8.339 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.055 -5.328 -7.716 1.00 0.00 H new ATOM 310 N ASP A 22 1.571 -5.340 -4.988 1.00 0.00 N ATOM 311 CA ASP A 22 2.333 -5.826 -3.854 1.00 0.00 C ATOM 312 C ASP A 22 2.634 -4.663 -2.918 1.00 0.00 C ATOM 313 O ASP A 22 3.428 -3.786 -3.257 1.00 0.00 O ATOM 314 CB ASP A 22 3.625 -6.490 -4.332 1.00 0.00 C ATOM 315 CG ASP A 22 4.435 -7.004 -3.148 1.00 0.00 C ATOM 316 OD1 ASP A 22 4.078 -8.095 -2.654 1.00 0.00 O ATOM 317 OD2 ASP A 22 5.372 -6.293 -2.726 1.00 0.00 O ATOM 0 H ASP A 22 2.150 -5.110 -5.796 1.00 0.00 H new ATOM 0 HA ASP A 22 1.752 -6.573 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.389 -7.315 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.218 -5.775 -4.902 1.00 0.00 H new ATOM 322 N GLU A 23 1.988 -4.663 -1.749 1.00 0.00 N ATOM 323 CA GLU A 23 2.100 -3.600 -0.761 1.00 0.00 C ATOM 324 C GLU A 23 2.470 -4.197 0.593 1.00 0.00 C ATOM 325 O GLU A 23 3.440 -3.783 1.218 1.00 0.00 O ATOM 326 CB GLU A 23 0.770 -2.836 -0.650 1.00 0.00 C ATOM 327 CG GLU A 23 0.174 -2.404 -1.995 1.00 0.00 C ATOM 328 CD GLU A 23 1.145 -1.626 -2.872 1.00 0.00 C ATOM 329 OE1 GLU A 23 1.799 -0.707 -2.335 1.00 0.00 O ATOM 330 OE2 GLU A 23 1.202 -1.951 -4.077 1.00 0.00 O ATOM 0 H GLU A 23 1.363 -5.417 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 23 2.879 -2.904 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.046 -3.464 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.924 -1.950 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.161 -3.289 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.708 -1.790 -1.811 1.00 0.00 H new ATOM 337 N LEU A 24 1.646 -5.136 1.055 1.00 0.00 N ATOM 338 CA LEU A 24 1.561 -5.585 2.437 1.00 0.00 C ATOM 339 C LEU A 24 0.435 -6.608 2.478 1.00 0.00 C ATOM 340 O LEU A 24 0.624 -7.731 2.942 1.00 0.00 O ATOM 341 CB LEU A 24 1.278 -4.380 3.352 1.00 0.00 C ATOM 342 CG LEU A 24 0.813 -4.730 4.774 1.00 0.00 C ATOM 343 CD1 LEU A 24 1.847 -5.575 5.522 1.00 0.00 C ATOM 344 CD2 LEU A 24 0.589 -3.422 5.539 1.00 0.00 C ATOM 0 H LEU A 24 0.991 -5.625 0.445 1.00 0.00 H new ATOM 0 HA LEU A 24 2.489 -6.035 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.183 -3.777 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.517 -3.758 2.881 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.105 -5.314 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.478 -5.800 6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.017 -6.506 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.784 -5.022 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.258 -3.646 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.521 -2.859 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.172 -2.829 5.031 1.00 0.00 H new ATOM 356 N CYS A 25 -0.720 -6.229 1.919 1.00 0.00 N ATOM 357 CA CYS A 25 -1.843 -7.117 1.679 1.00 0.00 C ATOM 358 C CYS A 25 -1.586 -7.940 0.415 1.00 0.00 C ATOM 359 O CYS A 25 -2.458 -8.039 -0.445 1.00 0.00 O ATOM 360 CB CYS A 25 -3.126 -6.291 1.525 1.00 0.00 C ATOM 361 SG CYS A 25 -3.729 -5.455 3.009 1.00 0.00 S ATOM 0 H CYS A 25 -0.895 -5.271 1.617 1.00 0.00 H new ATOM 0 HA CYS A 25 -1.959 -7.796 2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.957 -5.539 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.914 -6.950 1.160 1.00 0.00 H new ATOM 366 N SER A 26 -0.404 -8.556 0.299 1.00 0.00 N ATOM 367 CA SER A 26 -0.018 -9.340 -0.867 1.00 0.00 C ATOM 368 C SER A 26 -0.408 -10.806 -0.672 1.00 0.00 C ATOM 369 O SER A 26 0.301 -11.706 -1.117 1.00 0.00 O ATOM 370 CB SER A 26 1.486 -9.184 -1.090 1.00 0.00 C ATOM 371 OG SER A 26 1.835 -7.815 -1.050 1.00 0.00 O ATOM 0 H SER A 26 0.314 -8.520 1.022 1.00 0.00 H new ATOM 0 HA SER A 26 -0.543 -8.980 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.035 -9.732 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.767 -9.613 -2.052 1.00 0.00 H new ATOM 0 HG SER A 26 2.647 -7.669 -1.578 1.00 0.00 H new ATOM 377 N TYR A 27 -1.527 -11.028 0.025 1.00 0.00 N ATOM 378 CA TYR A 27 -2.023 -12.324 0.461 1.00 0.00 C ATOM 379 C TYR A 27 -3.547 -12.244 0.428 1.00 0.00 C ATOM 380 O TYR A 27 -4.205 -13.061 -0.210 1.00 0.00 O ATOM 381 CB TYR A 27 -1.498 -12.639 1.872 1.00 0.00 C ATOM 382 CG TYR A 27 -0.003 -12.432 2.031 1.00 0.00 C ATOM 383 CD1 TYR A 27 0.896 -13.352 1.464 1.00 0.00 C ATOM 384 CD2 TYR A 27 0.480 -11.213 2.543 1.00 0.00 C ATOM 385 CE1 TYR A 27 2.261 -13.031 1.355 1.00 0.00 C ATOM 386 CE2 TYR A 27 1.842 -10.893 2.433 1.00 0.00 C ATOM 387 CZ TYR A 27 2.726 -11.784 1.805 1.00 0.00 C ATOM 388 OH TYR A 27 4.028 -11.424 1.628 1.00 0.00 O ATOM 0 H TYR A 27 -2.139 -10.264 0.312 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.679 -13.129 -0.188 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.021 -12.010 2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.740 -13.673 2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.538 -14.308 1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.199 -10.523 3.021 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.951 -13.742 0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.210 -9.960 2.832 1.00 0.00 H new ATOM 0 HH TYR A 27 4.487 -12.108 1.097 1.00 0.00 H new ATOM 398 N TYR A 28 -4.090 -11.203 1.071 1.00 0.00 N ATOM 399 CA TYR A 28 -5.482 -10.798 0.941 1.00 0.00 C ATOM 400 C TYR A 28 -5.748 -10.233 -0.457 1.00 0.00 C ATOM 401 O TYR A 28 -6.885 -10.283 -0.923 1.00 0.00 O ATOM 402 CB TYR A 28 -5.816 -9.758 2.014 1.00 0.00 C ATOM 403 CG TYR A 28 -5.364 -10.144 3.410 1.00 0.00 C ATOM 404 CD1 TYR A 28 -5.897 -11.287 4.030 1.00 0.00 C ATOM 405 CD2 TYR A 28 -4.347 -9.414 4.049 1.00 0.00 C ATOM 406 CE1 TYR A 28 -5.410 -11.703 5.280 1.00 0.00 C ATOM 407 CE2 TYR A 28 -3.856 -9.832 5.297 1.00 0.00 C ATOM 408 CZ TYR A 28 -4.386 -10.978 5.912 1.00 0.00 C ATOM 409 OH TYR A 28 -3.904 -11.384 7.122 1.00 0.00 O ATOM 0 H TYR A 28 -3.557 -10.611 1.708 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.121 -11.670 1.080 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.353 -8.809 1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.894 -9.595 2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.683 -11.847 3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.942 -8.530 3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.823 -12.580 5.755 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.071 -9.272 5.784 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.198 -10.770 7.416 1.00 0.00 H new ATOM 419 N GLN A 29 -4.701 -9.710 -1.115 1.00 0.00 N ATOM 420 CA GLN A 29 -4.712 -9.173 -2.471 1.00 0.00 C ATOM 421 C GLN A 29 -5.876 -8.205 -2.691 1.00 0.00 C ATOM 422 O GLN A 29 -6.636 -8.335 -3.648 1.00 0.00 O ATOM 423 CB GLN A 29 -4.560 -10.293 -3.519 1.00 0.00 C ATOM 424 CG GLN A 29 -5.617 -11.405 -3.482 1.00 0.00 C ATOM 425 CD GLN A 29 -5.323 -12.481 -4.522 1.00 0.00 C ATOM 426 OE1 GLN A 29 -4.859 -13.566 -4.179 1.00 0.00 O ATOM 427 NE2 GLN A 29 -5.588 -12.192 -5.797 1.00 0.00 N ATOM 0 H GLN A 29 -3.778 -9.651 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.829 -8.550 -2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.575 -9.839 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.578 -10.749 -3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.642 -11.853 -2.489 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.603 -10.979 -3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.973 -11.280 -6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.406 -12.883 -6.525 1.00 0.00 H new ATOM 436 N SER A 30 -5.986 -7.224 -1.785 1.00 0.00 N ATOM 437 CA SER A 30 -7.022 -6.204 -1.785 1.00 0.00 C ATOM 438 C SER A 30 -6.651 -5.071 -2.742 1.00 0.00 C ATOM 439 O SER A 30 -7.442 -4.722 -3.613 1.00 0.00 O ATOM 440 CB SER A 30 -7.227 -5.694 -0.355 1.00 0.00 C ATOM 441 OG SER A 30 -5.993 -5.320 0.223 1.00 0.00 O ATOM 0 H SER A 30 -5.331 -7.123 -1.010 1.00 0.00 H new ATOM 0 HA SER A 30 -7.962 -6.630 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.905 -4.840 -0.362 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.697 -6.470 0.249 1.00 0.00 H new ATOM 0 HG SER A 30 -6.156 -4.741 0.997 1.00 0.00 H new ATOM 447 N CYS A 31 -5.448 -4.502 -2.585 1.00 0.00 N ATOM 448 CA CYS A 31 -4.907 -3.525 -3.521 1.00 0.00 C ATOM 449 C CYS A 31 -4.822 -4.147 -4.909 1.00 0.00 C ATOM 450 O CYS A 31 -5.330 -3.584 -5.877 1.00 0.00 O ATOM 451 CB CYS A 31 -3.531 -3.041 -3.042 1.00 0.00 C ATOM 452 SG CYS A 31 -2.453 -2.325 -4.318 1.00 0.00 S ATOM 0 H CYS A 31 -4.827 -4.711 -1.803 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.566 -2.658 -3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.681 -2.296 -2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.011 -3.882 -2.584 1.00 0.00 H new ATOM 457 N CYS A 32 -4.203 -5.327 -4.993 1.00 0.00 N ATOM 458 CA CYS A 32 -4.143 -6.089 -6.228 1.00 0.00 C ATOM 459 C CYS A 32 -5.534 -6.648 -6.556 1.00 0.00 C ATOM 460 O CYS A 32 -6.494 -6.398 -5.830 1.00 0.00 O ATOM 461 CB CYS A 32 -3.077 -7.180 -6.091 1.00 0.00 C ATOM 462 SG CYS A 32 -2.235 -7.594 -7.642 1.00 0.00 S ATOM 0 H CYS A 32 -3.733 -5.774 -4.206 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.853 -5.453 -7.064 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -2.334 -6.857 -5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.544 -8.081 -5.692 1.00 0.00 H new ATOM 467 N THR A 33 -5.657 -7.406 -7.650 1.00 0.00 N ATOM 468 CA THR A 33 -6.929 -7.949 -8.118 1.00 0.00 C ATOM 469 C THR A 33 -7.878 -6.820 -8.541 1.00 0.00 C ATOM 470 O THR A 33 -9.086 -6.909 -8.330 1.00 0.00 O ATOM 471 CB THR A 33 -7.562 -8.880 -7.062 1.00 0.00 C ATOM 472 OG1 THR A 33 -6.570 -9.513 -6.284 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.414 -9.967 -7.725 1.00 0.00 C ATOM 0 H THR A 33 -4.865 -7.661 -8.240 1.00 0.00 H new ATOM 0 HA THR A 33 -6.738 -8.560 -9.000 1.00 0.00 H new ATOM 0 HB THR A 33 -8.189 -8.255 -6.426 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.569 -9.131 -5.382 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.847 -10.608 -6.957 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.213 -9.502 -8.303 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.789 -10.566 -8.387 1.00 0.00 H new ATOM 481 N ASP A 34 -7.311 -5.771 -9.153 1.00 0.00 N ATOM 482 CA ASP A 34 -8.010 -4.648 -9.762 1.00 0.00 C ATOM 483 C ASP A 34 -9.134 -4.113 -8.874 1.00 0.00 C ATOM 484 O ASP A 34 -10.305 -4.192 -9.241 1.00 0.00 O ATOM 485 CB ASP A 34 -8.513 -5.054 -11.154 1.00 0.00 C ATOM 486 CG ASP A 34 -7.364 -5.407 -12.093 1.00 0.00 C ATOM 487 OD1 ASP A 34 -6.834 -6.532 -11.957 1.00 0.00 O ATOM 488 OD2 ASP A 34 -7.028 -4.542 -12.928 1.00 0.00 O ATOM 0 H ASP A 34 -6.298 -5.686 -9.237 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.308 -3.822 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.183 -5.909 -11.063 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.094 -4.238 -11.582 1.00 0.00 H new ATOM 493 N TYR A 35 -8.777 -3.569 -7.704 1.00 0.00 N ATOM 494 CA TYR A 35 -9.739 -3.005 -6.772 1.00 0.00 C ATOM 495 C TYR A 35 -9.120 -1.837 -6.007 1.00 0.00 C ATOM 496 O TYR A 35 -7.914 -1.798 -5.773 1.00 0.00 O ATOM 497 CB TYR A 35 -10.254 -4.093 -5.821 1.00 0.00 C ATOM 498 CG TYR A 35 -11.184 -3.568 -4.742 1.00 0.00 C ATOM 499 CD1 TYR A 35 -12.428 -3.020 -5.104 1.00 0.00 C ATOM 500 CD2 TYR A 35 -10.736 -3.460 -3.414 1.00 0.00 C ATOM 501 CE1 TYR A 35 -13.200 -2.336 -4.151 1.00 0.00 C ATOM 502 CE2 TYR A 35 -11.519 -2.797 -2.457 1.00 0.00 C ATOM 503 CZ TYR A 35 -12.740 -2.212 -2.830 1.00 0.00 C ATOM 504 OH TYR A 35 -13.473 -1.524 -1.907 1.00 0.00 O ATOM 0 H TYR A 35 -7.810 -3.511 -7.384 1.00 0.00 H new ATOM 0 HA TYR A 35 -10.591 -2.618 -7.331 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -10.777 -4.853 -6.401 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -9.403 -4.583 -5.348 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -12.790 -3.125 -6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -9.786 -3.889 -3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.149 -1.905 -4.434 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -11.182 -2.736 -1.433 1.00 0.00 H new ATOM 0 HH TYR A 35 -13.009 -1.538 -1.044 1.00 0.00 H new ATOM 514 N THR A 36 -9.975 -0.886 -5.618 1.00 0.00 N ATOM 515 CA THR A 36 -9.604 0.303 -4.880 1.00 0.00 C ATOM 516 C THR A 36 -9.391 -0.036 -3.406 1.00 0.00 C ATOM 517 O THR A 36 -10.312 0.077 -2.598 1.00 0.00 O ATOM 518 CB THR A 36 -10.700 1.363 -5.043 1.00 0.00 C ATOM 519 OG1 THR A 36 -11.959 0.813 -4.712 1.00 0.00 O ATOM 520 CG2 THR A 36 -10.746 1.887 -6.478 1.00 0.00 C ATOM 0 H THR A 36 -10.974 -0.934 -5.820 1.00 0.00 H new ATOM 0 HA THR A 36 -8.668 0.699 -5.273 1.00 0.00 H new ATOM 0 HB THR A 36 -10.469 2.190 -4.372 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.891 0.327 -3.864 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.532 2.637 -6.566 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.786 2.335 -6.733 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.953 1.062 -7.160 1.00 0.00 H new ATOM 528 N ALA A 37 -8.156 -0.396 -3.053 1.00 0.00 N ATOM 529 CA ALA A 37 -7.702 -0.436 -1.675 1.00 0.00 C ATOM 530 C ALA A 37 -6.243 -0.026 -1.621 1.00 0.00 C ATOM 531 O ALA A 37 -5.470 -0.378 -2.508 1.00 0.00 O ATOM 532 CB ALA A 37 -7.886 -1.831 -1.078 1.00 0.00 C ATOM 0 H ALA A 37 -7.441 -0.669 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.299 0.258 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.538 -1.833 -0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.941 -2.102 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.310 -2.553 -1.657 1.00 0.00 H new ATOM 538 N GLU A 38 -5.861 0.692 -0.561 1.00 0.00 N ATOM 539 CA GLU A 38 -4.459 0.872 -0.236 1.00 0.00 C ATOM 540 C GLU A 38 -3.868 -0.492 0.119 1.00 0.00 C ATOM 541 O GLU A 38 -2.791 -0.854 -0.348 1.00 0.00 O ATOM 542 CB GLU A 38 -4.333 1.839 0.944 1.00 0.00 C ATOM 543 CG GLU A 38 -2.865 2.147 1.237 1.00 0.00 C ATOM 544 CD GLU A 38 -2.712 2.991 2.494 1.00 0.00 C ATOM 545 OE1 GLU A 38 -2.891 2.417 3.591 1.00 0.00 O ATOM 546 OE2 GLU A 38 -2.424 4.196 2.331 1.00 0.00 O ATOM 0 H GLU A 38 -6.507 1.153 0.080 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.917 1.291 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.866 2.763 0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.802 1.405 1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.313 1.214 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.426 2.673 0.389 1.00 0.00 H new ATOM 553 N CYS A 39 -4.608 -1.215 0.966 1.00 0.00 N ATOM 554 CA CYS A 39 -4.319 -2.525 1.524 1.00 0.00 C ATOM 555 C CYS A 39 -5.323 -2.700 2.655 1.00 0.00 C ATOM 556 O CYS A 39 -6.233 -3.524 2.568 1.00 0.00 O ATOM 557 CB CYS A 39 -2.866 -2.626 2.018 1.00 0.00 C ATOM 558 SG CYS A 39 -2.477 -3.858 3.300 1.00 0.00 S ATOM 0 H CYS A 39 -5.502 -0.860 1.304 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.414 -3.315 0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.234 -2.834 1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.575 -1.647 2.398 1.00 0.00 H new ATOM 563 N LYS A 40 -5.160 -1.883 3.699 1.00 0.00 N ATOM 564 CA LYS A 40 -6.008 -1.888 4.874 1.00 0.00 C ATOM 565 C LYS A 40 -7.434 -1.479 4.481 1.00 0.00 C ATOM 566 O LYS A 40 -7.601 -0.541 3.702 1.00 0.00 O ATOM 567 CB LYS A 40 -5.441 -0.926 5.927 1.00 0.00 C ATOM 568 CG LYS A 40 -4.052 -1.344 6.439 1.00 0.00 C ATOM 569 CD LYS A 40 -2.865 -0.589 5.814 1.00 0.00 C ATOM 570 CE LYS A 40 -2.532 0.734 6.518 1.00 0.00 C ATOM 571 NZ LYS A 40 -3.523 1.790 6.253 1.00 0.00 N ATOM 0 H LYS A 40 -4.415 -1.187 3.743 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.036 -2.891 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.378 0.075 5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.131 -0.871 6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.023 -1.202 7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.921 -2.410 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.985 -1.232 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.086 -0.386 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.470 0.562 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.549 1.075 6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.144 2.708 6.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.728 1.826 5.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.398 1.583 6.775 1.00 0.00 H new ATOM 585 N PRO A 41 -8.467 -2.162 5.006 1.00 0.00 N ATOM 586 CA PRO A 41 -9.856 -1.924 4.645 1.00 0.00 C ATOM 587 C PRO A 41 -10.360 -0.573 5.161 1.00 0.00 C ATOM 588 O PRO A 41 -11.383 -0.083 4.689 1.00 0.00 O ATOM 589 CB PRO A 41 -10.636 -3.085 5.265 1.00 0.00 C ATOM 590 CG PRO A 41 -9.804 -3.439 6.495 1.00 0.00 C ATOM 591 CD PRO A 41 -8.378 -3.225 5.994 1.00 0.00 C ATOM 0 HA PRO A 41 -9.983 -1.880 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.650 -2.791 5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.720 -3.927 4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.038 -2.796 7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.972 -4.466 6.818 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.713 -2.946 6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.976 -4.137 5.553 1.00 0.00 H new ATOM 599 N GLN A 42 -9.641 0.044 6.107 1.00 0.00 N ATOM 600 CA GLN A 42 -9.947 1.372 6.610 1.00 0.00 C ATOM 601 C GLN A 42 -9.816 2.436 5.512 1.00 0.00 C ATOM 602 O GLN A 42 -10.439 3.491 5.615 1.00 0.00 O ATOM 603 CB GLN A 42 -9.043 1.670 7.815 1.00 0.00 C ATOM 604 CG GLN A 42 -7.596 1.948 7.389 1.00 0.00 C ATOM 605 CD GLN A 42 -6.595 1.861 8.537 1.00 0.00 C ATOM 606 OE1 GLN A 42 -5.515 1.301 8.365 1.00 0.00 O ATOM 607 NE2 GLN A 42 -6.936 2.423 9.697 1.00 0.00 N ATOM 0 H GLN A 42 -8.822 -0.378 6.545 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.987 1.403 6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.433 2.531 8.358 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.063 0.824 8.502 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.311 1.236 6.614 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.541 2.942 6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.844 2.878 9.796 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.289 2.398 10.485 1.00 0.00 H new ATOM 616 N VAL A 43 -9.014 2.160 4.473 1.00 0.00 N ATOM 617 CA VAL A 43 -8.807 3.032 3.330 1.00 0.00 C ATOM 618 C VAL A 43 -8.993 2.234 2.037 1.00 0.00 C ATOM 619 O VAL A 43 -8.028 1.758 1.436 1.00 0.00 O ATOM 620 CB VAL A 43 -7.433 3.724 3.413 1.00 0.00 C ATOM 621 CG1 VAL A 43 -7.499 4.959 4.316 1.00 0.00 C ATOM 622 CG2 VAL A 43 -6.310 2.802 3.899 1.00 0.00 C ATOM 0 H VAL A 43 -8.479 1.294 4.413 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.551 3.829 3.335 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.191 4.017 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.517 5.431 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.224 5.666 3.913 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.803 4.660 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.372 3.357 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.549 2.432 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.209 1.960 3.215 1.00 0.00 H new ATOM 632 N THR A 44 -10.251 2.135 1.588 1.00 0.00 N ATOM 633 CA THR A 44 -10.624 1.548 0.309 1.00 0.00 C ATOM 634 C THR A 44 -10.359 2.565 -0.807 1.00 0.00 C ATOM 635 O THR A 44 -11.284 3.058 -1.450 1.00 0.00 O ATOM 636 CB THR A 44 -12.094 1.105 0.356 1.00 0.00 C ATOM 637 OG1 THR A 44 -12.884 2.117 0.949 1.00 0.00 O ATOM 638 CG2 THR A 44 -12.242 -0.187 1.163 1.00 0.00 C ATOM 0 H THR A 44 -11.052 2.471 2.123 1.00 0.00 H new ATOM 0 HA THR A 44 -10.023 0.662 0.103 1.00 0.00 H new ATOM 0 HB THR A 44 -12.430 0.927 -0.665 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.820 1.829 0.974 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.290 -0.484 1.185 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.651 -0.976 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.891 -0.022 2.182 1.00 0.00 H new ATOM 646 N ARG A 45 -9.079 2.879 -1.026 1.00 0.00 N ATOM 647 CA ARG A 45 -8.626 3.863 -1.996 1.00 0.00 C ATOM 648 C ARG A 45 -7.261 3.452 -2.545 1.00 0.00 C ATOM 649 O ARG A 45 -6.224 3.966 -2.129 1.00 0.00 O ATOM 650 CB ARG A 45 -8.607 5.266 -1.376 1.00 0.00 C ATOM 651 CG ARG A 45 -7.999 5.297 0.034 1.00 0.00 C ATOM 652 CD ARG A 45 -7.193 6.579 0.253 1.00 0.00 C ATOM 653 NE ARG A 45 -5.908 6.499 -0.455 1.00 0.00 N ATOM 654 CZ ARG A 45 -4.794 5.906 0.009 1.00 0.00 C ATOM 655 NH1 ARG A 45 -4.705 5.491 1.281 1.00 0.00 N ATOM 656 NH2 ARG A 45 -3.762 5.724 -0.824 1.00 0.00 N ATOM 0 H ARG A 45 -8.313 2.440 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.324 3.900 -2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.040 5.935 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.626 5.651 -1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.793 5.230 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.355 4.429 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.760 7.439 -0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.020 6.731 1.318 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.857 6.930 -1.378 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.492 5.623 1.917 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.851 5.043 1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.829 6.033 -1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.909 5.276 -0.489 1.00 0.00 H new ATOM 670 N GLY A 46 -7.278 2.532 -3.511 1.00 0.00 N ATOM 671 CA GLY A 46 -6.114 2.175 -4.298 1.00 0.00 C ATOM 672 C GLY A 46 -6.045 3.134 -5.476 1.00 0.00 C ATOM 673 O GLY A 46 -6.448 2.783 -6.581 1.00 0.00 O ATOM 0 H GLY A 46 -8.117 2.011 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.208 2.243 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.188 1.145 -4.646 1.00 0.00 H new ATOM 677 N ASP A 47 -5.587 4.362 -5.209 1.00 0.00 N ATOM 678 CA ASP A 47 -5.737 5.490 -6.118 1.00 0.00 C ATOM 679 C ASP A 47 -5.092 5.207 -7.474 1.00 0.00 C ATOM 680 O ASP A 47 -5.760 5.294 -8.503 1.00 0.00 O ATOM 681 CB ASP A 47 -5.159 6.763 -5.487 1.00 0.00 C ATOM 682 CG ASP A 47 -5.722 7.020 -4.092 1.00 0.00 C ATOM 683 OD1 ASP A 47 -6.892 7.449 -4.014 1.00 0.00 O ATOM 684 OD2 ASP A 47 -4.973 6.770 -3.122 1.00 0.00 O ATOM 0 H ASP A 47 -5.098 4.597 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.802 5.643 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.074 6.678 -5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.378 7.617 -6.129 1.00 0.00 H new ATOM 689 N VAL A 48 -3.798 4.864 -7.468 1.00 0.00 N ATOM 690 CA VAL A 48 -3.027 4.646 -8.683 1.00 0.00 C ATOM 691 C VAL A 48 -3.545 3.394 -9.390 1.00 0.00 C ATOM 692 O VAL A 48 -4.195 3.512 -10.427 1.00 0.00 O ATOM 693 CB VAL A 48 -1.524 4.592 -8.352 1.00 0.00 C ATOM 694 CG1 VAL A 48 -0.686 4.150 -9.559 1.00 0.00 C ATOM 695 CG2 VAL A 48 -1.037 5.978 -7.915 1.00 0.00 C ATOM 0 H VAL A 48 -3.260 4.731 -6.612 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.154 5.478 -9.376 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.399 3.864 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.368 4.126 -9.281 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.001 3.156 -9.876 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.829 4.854 -10.379 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.027 5.933 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.202 6.693 -8.721 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.589 6.295 -7.030 1.00 0.00 H new ATOM 705 N PHE A 49 -3.294 2.204 -8.829 1.00 0.00 N ATOM 706 CA PHE A 49 -3.854 0.974 -9.365 1.00 0.00 C ATOM 707 C PHE A 49 -5.279 0.797 -8.845 1.00 0.00 C ATOM 708 O PHE A 49 -5.551 -0.042 -7.989 1.00 0.00 O ATOM 709 CB PHE A 49 -2.949 -0.222 -9.063 1.00 0.00 C ATOM 710 CG PHE A 49 -3.413 -1.518 -9.699 1.00 0.00 C ATOM 711 CD1 PHE A 49 -3.264 -1.718 -11.083 1.00 0.00 C ATOM 712 CD2 PHE A 49 -3.983 -2.530 -8.907 1.00 0.00 C ATOM 713 CE1 PHE A 49 -3.676 -2.926 -11.668 1.00 0.00 C ATOM 714 CE2 PHE A 49 -4.405 -3.731 -9.495 1.00 0.00 C ATOM 715 CZ PHE A 49 -4.253 -3.931 -10.875 1.00 0.00 C ATOM 0 H PHE A 49 -2.706 2.075 -8.005 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.906 1.036 -10.452 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.940 0.001 -9.410 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -2.892 -0.359 -7.983 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.832 -0.941 -11.697 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.096 -2.382 -7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.549 -3.082 -12.729 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.848 -4.504 -8.884 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.579 -4.856 -11.327 1.00 0.00 H new ATOM 725 N THR A 50 -6.192 1.586 -9.415 1.00 0.00 N ATOM 726 CA THR A 50 -7.620 1.328 -9.356 1.00 0.00 C ATOM 727 C THR A 50 -7.880 0.016 -10.097 1.00 0.00 C ATOM 728 O THR A 50 -8.551 -0.875 -9.578 1.00 0.00 O ATOM 729 CB THR A 50 -8.352 2.520 -9.991 1.00 0.00 C ATOM 730 OG1 THR A 50 -8.175 3.661 -9.175 1.00 0.00 O ATOM 731 CG2 THR A 50 -9.853 2.266 -10.163 1.00 0.00 C ATOM 0 H THR A 50 -5.951 2.430 -9.935 1.00 0.00 H new ATOM 0 HA THR A 50 -7.986 1.224 -8.335 1.00 0.00 H new ATOM 0 HB THR A 50 -7.925 2.672 -10.982 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.236 3.939 -9.200 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.320 3.140 -10.616 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.004 1.399 -10.807 1.00 0.00 H new ATOM 0 HG23 THR A 50 -10.304 2.077 -9.189 1.00 0.00 H new ATOM 739 N MET A 51 -7.312 -0.093 -11.304 1.00 0.00 N ATOM 740 CA MET A 51 -7.326 -1.279 -12.140 1.00 0.00 C ATOM 741 C MET A 51 -6.199 -1.162 -13.166 1.00 0.00 C ATOM 742 O MET A 51 -5.586 -0.098 -13.266 1.00 0.00 O ATOM 743 CB MET A 51 -8.698 -1.446 -12.812 1.00 0.00 C ATOM 744 CG MET A 51 -9.079 -0.255 -13.697 1.00 0.00 C ATOM 745 SD MET A 51 -10.716 -0.409 -14.458 1.00 0.00 S ATOM 746 CE MET A 51 -10.773 1.159 -15.360 1.00 0.00 C ATOM 0 H MET A 51 -6.810 0.683 -11.735 1.00 0.00 H new ATOM 0 HA MET A 51 -7.160 -2.171 -11.535 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.693 -2.353 -13.416 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.459 -1.579 -12.043 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.050 0.655 -13.098 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.332 -0.143 -14.483 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.720 1.238 -15.894 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.683 1.987 -14.657 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.950 1.198 -16.074 1.00 0.00 H new TER 756 MET A 51 HETATM 757 O OH A 52 -5.948 -2.267 -13.921 1.00 0.00 O