USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 MET CE :methyl -146:sc= -0.563 (180deg=-1.72!) USER MOD Set 1.2: A 51 ASN : amide:sc= -0.184 K(o=-0.75,f=-6.5!) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 172:sc= 0 (180deg=-0.089) USER MOD Single : A 6 THR OG1 : rot 170:sc= -0.282 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -159:sc= -0.435 (180deg=-1.62!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -8.75! C(o=-8.8!,f=-9.2!) USER MOD Single : A 35 ASN : amide:sc= -3.84 K(o=-3.8,f=-5.5!) USER MOD Single : A 43 HIS : no HE2:sc= -16.9! C(o=-17!,f=-17!) USER MOD Single : A 49 TYR OH : rot 34:sc= -3.48! USER MOD Single : A 50 SER OG : rot 99:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 13 N HIS A 2 9.764 -0.574 -3.729 1.00 0.00 N ATOM 14 CA HIS A 2 9.231 -1.530 -2.764 1.00 0.00 C ATOM 15 C HIS A 2 7.761 -1.827 -3.046 1.00 0.00 C ATOM 16 O HIS A 2 6.892 -1.587 -2.207 1.00 0.00 O ATOM 17 CB HIS A 2 9.400 -0.995 -1.340 1.00 0.00 C ATOM 18 CG HIS A 2 10.763 -0.437 -1.069 1.00 0.00 C ATOM 19 ND1 HIS A 2 10.983 0.881 -0.728 1.00 0.00 N ATOM 20 CD2 HIS A 2 11.983 -1.026 -1.092 1.00 0.00 C ATOM 21 CE1 HIS A 2 12.278 1.079 -0.554 1.00 0.00 C ATOM 22 NE2 HIS A 2 12.906 -0.062 -0.770 1.00 0.00 N ATOM 0 HA HIS A 2 9.791 -2.460 -2.861 1.00 0.00 H new ATOM 0 HB2 HIS A 2 8.656 -0.218 -1.162 1.00 0.00 H new ATOM 0 HB3 HIS A 2 9.198 -1.799 -0.632 1.00 0.00 H new ATOM 0 HD2 HIS A 2 12.191 -2.061 -1.321 1.00 0.00 H new ATOM 0 HE1 HIS A 2 12.743 2.015 -0.282 1.00 0.00 H new ATOM 0 HE2 HIS A 2 13.914 -0.204 -0.708 1.00 0.00 H new ATOM 31 N MET A 3 7.497 -2.350 -4.237 1.00 0.00 N ATOM 32 CA MET A 3 6.136 -2.685 -4.650 1.00 0.00 C ATOM 33 C MET A 3 5.725 -4.062 -4.129 1.00 0.00 C ATOM 34 O MET A 3 6.489 -5.022 -4.215 1.00 0.00 O ATOM 35 CB MET A 3 6.028 -2.656 -6.177 1.00 0.00 C ATOM 36 CG MET A 3 6.860 -3.725 -6.867 1.00 0.00 C ATOM 37 SD MET A 3 6.541 -3.817 -8.639 1.00 0.00 S ATOM 38 CE MET A 3 7.295 -2.293 -9.200 1.00 0.00 C ATOM 0 H MET A 3 8.210 -2.553 -4.938 1.00 0.00 H new ATOM 0 HA MET A 3 5.462 -1.942 -4.224 1.00 0.00 H new ATOM 0 HB2 MET A 3 4.983 -2.781 -6.461 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.341 -1.676 -6.536 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.918 -3.519 -6.702 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.649 -4.693 -6.413 1.00 0.00 H new ATOM 0 HE1 MET A 3 7.306 -2.272 -10.290 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.722 -1.444 -8.827 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.317 -2.233 -8.826 1.00 0.00 H new ATOM 48 N ASP A 4 4.507 -4.148 -3.594 1.00 0.00 N ATOM 49 CA ASP A 4 3.988 -5.405 -3.059 1.00 0.00 C ATOM 50 C ASP A 4 2.462 -5.382 -2.977 1.00 0.00 C ATOM 51 O ASP A 4 1.894 -5.200 -1.899 1.00 0.00 O ATOM 52 CB ASP A 4 4.572 -5.674 -1.669 1.00 0.00 C ATOM 53 CG ASP A 4 6.086 -5.753 -1.676 1.00 0.00 C ATOM 54 OD1 ASP A 4 6.622 -6.863 -1.871 1.00 0.00 O ATOM 55 OD2 ASP A 4 6.735 -4.702 -1.488 1.00 0.00 O ATOM 0 H ASP A 4 3.862 -3.361 -3.520 1.00 0.00 H new ATOM 0 HA ASP A 4 4.287 -6.203 -3.738 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.257 -4.884 -0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.165 -6.609 -1.283 1.00 0.00 H new ATOM 60 N CYS A 5 1.800 -5.568 -4.116 1.00 0.00 N ATOM 61 CA CYS A 5 0.339 -5.572 -4.162 1.00 0.00 C ATOM 62 C CYS A 5 -0.191 -6.923 -3.691 1.00 0.00 C ATOM 63 O CYS A 5 0.582 -7.757 -3.222 1.00 0.00 O ATOM 64 CB CYS A 5 -0.140 -5.272 -5.591 1.00 0.00 C ATOM 65 SG CYS A 5 -1.808 -4.534 -5.724 1.00 0.00 S ATOM 0 H CYS A 5 2.251 -5.718 -5.019 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.044 -4.798 -3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.575 -4.597 -6.061 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.126 -6.200 -6.163 1.00 0.00 H new ATOM 70 N THR A 6 -1.501 -7.146 -3.808 1.00 0.00 N ATOM 71 CA THR A 6 -2.084 -8.409 -3.382 1.00 0.00 C ATOM 72 C THR A 6 -1.466 -9.560 -4.196 1.00 0.00 C ATOM 73 O THR A 6 -0.252 -9.751 -4.143 1.00 0.00 O ATOM 74 CB THR A 6 -3.608 -8.373 -3.532 1.00 0.00 C ATOM 75 OG1 THR A 6 -4.161 -9.667 -3.365 1.00 0.00 O ATOM 76 CG2 THR A 6 -4.067 -7.848 -4.877 1.00 0.00 C ATOM 0 H THR A 6 -2.167 -6.475 -4.190 1.00 0.00 H new ATOM 0 HA THR A 6 -1.863 -8.574 -2.327 1.00 0.00 H new ATOM 0 HB THR A 6 -3.956 -7.692 -2.756 1.00 0.00 H new ATOM 0 HG1 THR A 6 -5.137 -9.600 -3.304 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.156 -7.849 -4.916 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.700 -6.831 -5.015 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.675 -8.486 -5.669 1.00 0.00 H new ATOM 84 N GLU A 7 -2.267 -10.329 -4.960 1.00 0.00 N ATOM 85 CA GLU A 7 -1.702 -11.415 -5.747 1.00 0.00 C ATOM 86 C GLU A 7 -2.786 -12.168 -6.516 1.00 0.00 C ATOM 87 O GLU A 7 -2.628 -13.347 -6.829 1.00 0.00 O ATOM 88 CB GLU A 7 -0.909 -12.366 -4.836 1.00 0.00 C ATOM 89 CG GLU A 7 -1.715 -13.527 -4.267 1.00 0.00 C ATOM 90 CD GLU A 7 -1.391 -14.848 -4.938 1.00 0.00 C ATOM 91 OE1 GLU A 7 -0.193 -15.192 -5.022 1.00 0.00 O ATOM 92 OE2 GLU A 7 -2.335 -15.536 -5.382 1.00 0.00 O ATOM 0 H GLU A 7 -3.277 -10.215 -5.041 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.022 -10.988 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.067 -12.768 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.493 -11.791 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.520 -13.610 -3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.778 -13.317 -4.382 1.00 0.00 H new ATOM 99 N PHE A 8 -3.889 -11.488 -6.815 1.00 0.00 N ATOM 100 CA PHE A 8 -4.985 -12.124 -7.539 1.00 0.00 C ATOM 101 C PHE A 8 -5.596 -11.179 -8.566 1.00 0.00 C ATOM 102 O PHE A 8 -5.067 -10.099 -8.827 1.00 0.00 O ATOM 103 CB PHE A 8 -6.070 -12.591 -6.565 1.00 0.00 C ATOM 104 CG PHE A 8 -5.535 -13.129 -5.267 1.00 0.00 C ATOM 105 CD1 PHE A 8 -5.115 -14.445 -5.168 1.00 0.00 C ATOM 106 CD2 PHE A 8 -5.454 -12.317 -4.148 1.00 0.00 C ATOM 107 CE1 PHE A 8 -4.625 -14.943 -3.975 1.00 0.00 C ATOM 108 CE2 PHE A 8 -4.966 -12.807 -2.953 1.00 0.00 C ATOM 109 CZ PHE A 8 -4.550 -14.122 -2.866 1.00 0.00 C ATOM 0 H PHE A 8 -4.047 -10.510 -6.571 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.573 -12.986 -8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.738 -11.756 -6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.669 -13.363 -7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.171 -15.090 -6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.776 -11.288 -4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.302 -15.971 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.909 -12.164 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.167 -14.507 -1.933 1.00 0.00 H new ATOM 119 N ASN A 9 -6.722 -11.596 -9.137 1.00 0.00 N ATOM 120 CA ASN A 9 -7.419 -10.791 -10.128 1.00 0.00 C ATOM 121 C ASN A 9 -8.034 -9.559 -9.467 1.00 0.00 C ATOM 122 O ASN A 9 -7.802 -8.433 -9.905 1.00 0.00 O ATOM 123 CB ASN A 9 -8.508 -11.619 -10.817 1.00 0.00 C ATOM 124 CG ASN A 9 -8.181 -11.909 -12.269 1.00 0.00 C ATOM 125 OD1 ASN A 9 -8.751 -11.305 -13.178 1.00 0.00 O ATOM 126 ND2 ASN A 9 -7.260 -12.838 -12.495 1.00 0.00 N ATOM 0 H ASN A 9 -7.170 -12.488 -8.928 1.00 0.00 H new ATOM 0 HA ASN A 9 -6.700 -10.466 -10.880 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.639 -12.560 -10.282 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.457 -11.085 -10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.000 -13.076 -13.452 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.813 -13.314 -11.712 1.00 0.00 H new ATOM 133 N PRO A 10 -8.822 -9.753 -8.393 1.00 0.00 N ATOM 134 CA PRO A 10 -9.452 -8.645 -7.678 1.00 0.00 C ATOM 135 C PRO A 10 -8.443 -7.847 -6.861 1.00 0.00 C ATOM 136 O PRO A 10 -8.269 -8.086 -5.666 1.00 0.00 O ATOM 137 CB PRO A 10 -10.460 -9.336 -6.760 1.00 0.00 C ATOM 138 CG PRO A 10 -9.896 -10.695 -6.532 1.00 0.00 C ATOM 139 CD PRO A 10 -9.154 -11.061 -7.790 1.00 0.00 C ATOM 0 HA PRO A 10 -9.907 -7.924 -8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.577 -8.794 -5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.445 -9.389 -7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.227 -10.699 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.688 -11.415 -6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.257 -11.641 -7.572 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.769 -11.665 -8.457 1.00 0.00 H new ATOM 147 N LEU A 11 -7.781 -6.898 -7.517 1.00 0.00 N ATOM 148 CA LEU A 11 -6.784 -6.052 -6.865 1.00 0.00 C ATOM 149 C LEU A 11 -7.356 -5.377 -5.635 1.00 0.00 C ATOM 150 O LEU A 11 -8.433 -5.737 -5.173 1.00 0.00 O ATOM 151 CB LEU A 11 -6.233 -5.014 -7.853 1.00 0.00 C ATOM 152 CG LEU A 11 -7.267 -4.290 -8.732 1.00 0.00 C ATOM 153 CD1 LEU A 11 -7.494 -5.050 -10.031 1.00 0.00 C ATOM 154 CD2 LEU A 11 -8.583 -4.087 -7.990 1.00 0.00 C ATOM 0 H LEU A 11 -7.918 -6.694 -8.507 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.962 -6.689 -6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.680 -4.264 -7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.517 -5.511 -8.507 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.867 -3.305 -8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.229 -4.521 -10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.555 -5.122 -10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.861 -6.051 -9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.291 -3.573 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.992 -5.056 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.408 -3.487 -7.097 1.00 0.00 H new ATOM 166 N CYS A 12 -6.596 -4.419 -5.104 1.00 0.00 N ATOM 167 CA CYS A 12 -6.961 -3.681 -3.892 1.00 0.00 C ATOM 168 C CYS A 12 -8.439 -3.800 -3.553 1.00 0.00 C ATOM 169 O CYS A 12 -9.194 -2.828 -3.579 1.00 0.00 O ATOM 170 CB CYS A 12 -6.590 -2.213 -4.042 1.00 0.00 C ATOM 171 SG CYS A 12 -7.557 -1.322 -5.311 1.00 0.00 S ATOM 0 H CYS A 12 -5.703 -4.130 -5.505 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.401 -4.128 -3.071 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.726 -1.715 -3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.531 -2.141 -4.291 1.00 0.00 H new ATOM 176 N ARG A 13 -8.824 -5.012 -3.212 1.00 0.00 N ATOM 177 CA ARG A 13 -10.199 -5.307 -2.833 1.00 0.00 C ATOM 178 C ARG A 13 -10.292 -5.366 -1.321 1.00 0.00 C ATOM 179 O ARG A 13 -10.913 -6.264 -0.751 1.00 0.00 O ATOM 180 CB ARG A 13 -10.655 -6.632 -3.449 1.00 0.00 C ATOM 181 CG ARG A 13 -12.140 -6.908 -3.268 1.00 0.00 C ATOM 182 CD ARG A 13 -12.955 -6.354 -4.425 1.00 0.00 C ATOM 183 NE ARG A 13 -13.429 -4.997 -4.160 1.00 0.00 N ATOM 184 CZ ARG A 13 -14.338 -4.696 -3.236 1.00 0.00 C ATOM 185 NH1 ARG A 13 -14.875 -5.653 -2.488 1.00 0.00 N ATOM 186 NH2 ARG A 13 -14.712 -3.437 -3.058 1.00 0.00 N ATOM 0 H ARG A 13 -8.201 -5.819 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.854 -4.521 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.422 -6.627 -4.514 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.085 -7.446 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -12.304 -7.983 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.483 -6.463 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.348 -6.356 -5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.808 -7.006 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.040 -4.236 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.591 -6.624 -2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.571 -5.417 -1.781 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.303 -2.698 -3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.409 -3.207 -2.349 1.00 0.00 H new ATOM 200 N CYS A 14 -9.635 -4.411 -0.677 1.00 0.00 N ATOM 201 CA CYS A 14 -9.596 -4.348 0.772 1.00 0.00 C ATOM 202 C CYS A 14 -9.718 -2.905 1.265 1.00 0.00 C ATOM 203 O CYS A 14 -8.787 -2.112 1.130 1.00 0.00 O ATOM 204 CB CYS A 14 -8.290 -4.977 1.281 1.00 0.00 C ATOM 205 SG CYS A 14 -7.120 -5.487 -0.026 1.00 0.00 S ATOM 0 H CYS A 14 -9.119 -3.665 -1.143 1.00 0.00 H new ATOM 0 HA CYS A 14 -10.444 -4.908 1.166 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.791 -4.263 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.536 -5.848 1.888 1.00 0.00 H new ATOM 210 N ASN A 15 -10.873 -2.576 1.838 1.00 0.00 N ATOM 211 CA ASN A 15 -11.123 -1.231 2.354 1.00 0.00 C ATOM 212 C ASN A 15 -10.729 -1.144 3.813 1.00 0.00 C ATOM 213 O ASN A 15 -10.148 -0.156 4.239 1.00 0.00 O ATOM 214 CB ASN A 15 -12.601 -0.876 2.215 1.00 0.00 C ATOM 215 CG ASN A 15 -12.828 0.334 1.330 1.00 0.00 C ATOM 216 OD1 ASN A 15 -13.295 0.211 0.198 1.00 0.00 O ATOM 217 ND2 ASN A 15 -12.498 1.513 1.846 1.00 0.00 N ATOM 0 H ASN A 15 -11.652 -3.223 1.957 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.524 -0.529 1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.139 -1.730 1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.019 -0.683 3.203 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.629 2.364 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.114 1.567 2.789 1.00 0.00 H new ATOM 224 N LYS A 16 -11.084 -2.185 4.562 1.00 0.00 N ATOM 225 CA LYS A 16 -10.814 -2.286 5.998 1.00 0.00 C ATOM 226 C LYS A 16 -9.657 -1.407 6.447 1.00 0.00 C ATOM 227 O LYS A 16 -8.647 -1.893 6.953 1.00 0.00 O ATOM 228 CB LYS A 16 -10.546 -3.744 6.384 1.00 0.00 C ATOM 229 CG LYS A 16 -10.305 -3.949 7.872 1.00 0.00 C ATOM 230 CD LYS A 16 -11.578 -4.367 8.591 1.00 0.00 C ATOM 231 CE LYS A 16 -12.018 -5.765 8.188 1.00 0.00 C ATOM 232 NZ LYS A 16 -12.315 -6.616 9.374 1.00 0.00 N ATOM 0 H LYS A 16 -11.575 -2.996 4.185 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.705 -1.925 6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.395 -4.354 6.075 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.678 -4.103 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.538 -4.710 8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.925 -3.026 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.415 -4.333 9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.373 -3.656 8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.904 -5.699 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.236 -6.234 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.612 -7.561 9.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.462 -6.700 9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.079 -6.182 9.930 1.00 0.00 H new ATOM 246 N MET A 17 -9.822 -0.110 6.244 1.00 0.00 N ATOM 247 CA MET A 17 -8.800 0.867 6.622 1.00 0.00 C ATOM 248 C MET A 17 -8.594 0.904 8.130 1.00 0.00 C ATOM 249 O MET A 17 -8.866 1.905 8.793 1.00 0.00 O ATOM 250 CB MET A 17 -9.161 2.255 6.137 1.00 0.00 C ATOM 251 CG MET A 17 -10.636 2.604 6.273 1.00 0.00 C ATOM 252 SD MET A 17 -10.979 4.336 5.905 1.00 0.00 S ATOM 253 CE MET A 17 -9.786 5.154 6.961 1.00 0.00 C ATOM 0 H MET A 17 -10.655 0.297 5.819 1.00 0.00 H new ATOM 0 HA MET A 17 -7.872 0.550 6.145 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.574 2.985 6.694 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.873 2.347 5.090 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.218 1.972 5.602 1.00 0.00 H new ATOM 0 HG3 MET A 17 -10.966 2.380 7.287 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.102 6.182 7.138 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.719 4.626 7.912 1.00 0.00 H new ATOM 0 HE3 MET A 17 -8.810 5.153 6.476 1.00 0.00 H new ATOM 263 N LEU A 18 -8.102 -0.196 8.647 1.00 0.00 N ATOM 264 CA LEU A 18 -7.828 -0.341 10.070 1.00 0.00 C ATOM 265 C LEU A 18 -7.067 -1.642 10.333 1.00 0.00 C ATOM 266 O LEU A 18 -7.631 -2.732 10.235 1.00 0.00 O ATOM 267 CB LEU A 18 -9.144 -0.265 10.871 1.00 0.00 C ATOM 268 CG LEU A 18 -9.516 -1.489 11.718 1.00 0.00 C ATOM 269 CD1 LEU A 18 -10.348 -1.064 12.919 1.00 0.00 C ATOM 270 CD2 LEU A 18 -10.277 -2.507 10.878 1.00 0.00 C ATOM 0 H LEU A 18 -7.877 -1.024 8.096 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.192 0.479 10.404 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.089 0.600 11.532 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.957 -0.079 10.169 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.599 -1.956 12.077 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.606 -1.942 13.512 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.774 -0.368 13.531 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.261 -0.578 12.575 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.533 -3.369 11.494 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.190 -2.052 10.493 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.653 -2.830 10.044 1.00 0.00 H new ATOM 282 N GLY A 19 -5.783 -1.525 10.657 1.00 0.00 N ATOM 283 CA GLY A 19 -4.978 -2.705 10.919 1.00 0.00 C ATOM 284 C GLY A 19 -3.494 -2.473 10.703 1.00 0.00 C ATOM 285 O GLY A 19 -2.852 -1.756 11.471 1.00 0.00 O ATOM 0 H GLY A 19 -5.287 -0.638 10.743 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.143 -3.029 11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.311 -3.516 10.271 1.00 0.00 H new ATOM 289 N ASP A 20 -2.944 -3.092 9.659 1.00 0.00 N ATOM 290 CA ASP A 20 -1.525 -2.961 9.348 1.00 0.00 C ATOM 291 C ASP A 20 -1.141 -1.508 9.102 1.00 0.00 C ATOM 292 O ASP A 20 -1.988 -0.615 9.111 1.00 0.00 O ATOM 293 CB ASP A 20 -1.162 -3.805 8.125 1.00 0.00 C ATOM 294 CG ASP A 20 -1.858 -5.153 8.111 1.00 0.00 C ATOM 295 OD1 ASP A 20 -3.103 -5.177 8.005 1.00 0.00 O ATOM 296 OD2 ASP A 20 -1.158 -6.183 8.206 1.00 0.00 O ATOM 0 H ASP A 20 -3.462 -3.689 9.015 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.967 -3.322 10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.425 -3.257 7.220 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.083 -3.958 8.103 1.00 0.00 H new ATOM 301 N LEU A 21 0.151 -1.284 8.896 1.00 0.00 N ATOM 302 CA LEU A 21 0.679 0.048 8.660 1.00 0.00 C ATOM 303 C LEU A 21 1.877 0.000 7.713 1.00 0.00 C ATOM 304 O LEU A 21 2.995 -0.326 8.108 1.00 0.00 O ATOM 305 CB LEU A 21 1.032 0.683 10.018 1.00 0.00 C ATOM 306 CG LEU A 21 2.499 1.076 10.258 1.00 0.00 C ATOM 307 CD1 LEU A 21 2.933 2.175 9.300 1.00 0.00 C ATOM 308 CD2 LEU A 21 2.693 1.521 11.700 1.00 0.00 C ATOM 0 H LEU A 21 0.858 -2.020 8.888 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.072 0.668 8.170 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.420 1.577 10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.738 -0.015 10.802 1.00 0.00 H new ATOM 0 HG LEU A 21 3.122 0.201 10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.974 2.434 9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.829 1.825 8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.307 3.055 9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.736 1.797 11.859 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.055 2.381 11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.428 0.704 12.372 1.00 0.00 H new ATOM 320 N ILE A 22 1.629 0.339 6.456 1.00 0.00 N ATOM 321 CA ILE A 22 2.677 0.356 5.450 1.00 0.00 C ATOM 322 C ILE A 22 3.365 1.709 5.452 1.00 0.00 C ATOM 323 O ILE A 22 2.777 2.712 5.855 1.00 0.00 O ATOM 324 CB ILE A 22 2.116 0.059 4.034 1.00 0.00 C ATOM 325 CG1 ILE A 22 3.053 0.536 2.939 1.00 0.00 C ATOM 326 CG2 ILE A 22 0.770 0.710 3.834 1.00 0.00 C ATOM 327 CD1 ILE A 22 2.823 1.980 2.533 1.00 0.00 C ATOM 0 H ILE A 22 0.708 0.606 6.109 1.00 0.00 H new ATOM 0 HA ILE A 22 3.393 -0.427 5.699 1.00 0.00 H new ATOM 0 HB ILE A 22 2.016 -1.024 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.083 0.422 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.932 -0.103 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.402 0.485 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.067 0.327 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.867 1.789 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.527 2.254 1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.804 2.096 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.973 2.629 3.396 1.00 0.00 H new ATOM 339 N CYS A 23 4.596 1.742 4.971 1.00 0.00 N ATOM 340 CA CYS A 23 5.330 2.994 4.896 1.00 0.00 C ATOM 341 C CYS A 23 5.679 3.271 3.452 1.00 0.00 C ATOM 342 O CYS A 23 6.677 2.769 2.933 1.00 0.00 O ATOM 343 CB CYS A 23 6.583 2.965 5.772 1.00 0.00 C ATOM 344 SG CYS A 23 7.688 1.547 5.491 1.00 0.00 S ATOM 0 H CYS A 23 5.104 0.926 4.630 1.00 0.00 H new ATOM 0 HA CYS A 23 4.701 3.798 5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.146 3.883 5.605 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.276 2.965 6.818 1.00 0.00 H new ATOM 349 N ALA A 24 4.823 4.038 2.792 1.00 0.00 N ATOM 350 CA ALA A 24 5.020 4.335 1.388 1.00 0.00 C ATOM 351 C ALA A 24 6.059 5.420 1.182 1.00 0.00 C ATOM 352 O ALA A 24 6.361 6.201 2.084 1.00 0.00 O ATOM 353 CB ALA A 24 3.705 4.731 0.736 1.00 0.00 C ATOM 0 H ALA A 24 3.992 4.461 3.206 1.00 0.00 H new ATOM 0 HA ALA A 24 5.392 3.428 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.873 4.950 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.992 3.911 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.305 5.616 1.231 1.00 0.00 H new ATOM 359 N VAL A 25 6.596 5.448 -0.024 1.00 0.00 N ATOM 360 CA VAL A 25 7.607 6.409 -0.411 1.00 0.00 C ATOM 361 C VAL A 25 7.644 6.517 -1.920 1.00 0.00 C ATOM 362 O VAL A 25 7.435 5.532 -2.632 1.00 0.00 O ATOM 363 CB VAL A 25 9.005 6.004 0.099 1.00 0.00 C ATOM 364 CG1 VAL A 25 10.037 7.058 -0.275 1.00 0.00 C ATOM 365 CG2 VAL A 25 8.989 5.780 1.604 1.00 0.00 C ATOM 0 H VAL A 25 6.339 4.798 -0.767 1.00 0.00 H new ATOM 0 HA VAL A 25 7.346 7.368 0.037 1.00 0.00 H new ATOM 0 HB VAL A 25 9.282 5.065 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.017 6.755 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.073 7.163 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.761 8.013 0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.986 5.495 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.686 6.699 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.284 4.985 1.846 1.00 0.00 H new ATOM 375 N ILE A 26 7.886 7.721 -2.396 1.00 0.00 N ATOM 376 CA ILE A 26 7.941 7.981 -3.819 1.00 0.00 C ATOM 377 C ILE A 26 8.684 9.289 -4.076 1.00 0.00 C ATOM 378 O ILE A 26 9.157 9.931 -3.138 1.00 0.00 O ATOM 379 CB ILE A 26 6.515 7.991 -4.431 1.00 0.00 C ATOM 380 CG1 ILE A 26 6.514 7.510 -5.881 1.00 0.00 C ATOM 381 CG2 ILE A 26 5.891 9.362 -4.350 1.00 0.00 C ATOM 382 CD1 ILE A 26 7.312 6.245 -6.118 1.00 0.00 C ATOM 0 H ILE A 26 8.049 8.541 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 26 8.492 7.180 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 26 5.919 7.297 -3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.484 7.340 -6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.914 8.302 -6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.893 9.334 -4.787 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.821 9.669 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.507 10.075 -4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.259 5.973 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.352 6.413 -5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.900 5.437 -5.514 1.00 0.00 H new ATOM 394 N GLY A 27 8.797 9.657 -5.343 1.00 0.00 N ATOM 395 CA GLY A 27 9.497 10.878 -5.734 1.00 0.00 C ATOM 396 C GLY A 27 9.415 11.975 -4.688 1.00 0.00 C ATOM 397 O GLY A 27 10.384 12.698 -4.456 1.00 0.00 O ATOM 0 H GLY A 27 8.412 9.126 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.544 10.644 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.078 11.246 -6.670 1.00 0.00 H new ATOM 401 N ASP A 28 8.259 12.084 -4.050 1.00 0.00 N ATOM 402 CA ASP A 28 8.045 13.080 -3.014 1.00 0.00 C ATOM 403 C ASP A 28 6.872 12.677 -2.133 1.00 0.00 C ATOM 404 O ASP A 28 6.137 13.528 -1.633 1.00 0.00 O ATOM 405 CB ASP A 28 7.787 14.453 -3.638 1.00 0.00 C ATOM 406 CG ASP A 28 8.536 15.563 -2.927 1.00 0.00 C ATOM 407 OD1 ASP A 28 9.620 15.286 -2.372 1.00 0.00 O ATOM 408 OD2 ASP A 28 8.038 16.708 -2.924 1.00 0.00 O ATOM 0 H ASP A 28 7.451 11.490 -4.234 1.00 0.00 H new ATOM 0 HA ASP A 28 8.943 13.140 -2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.083 14.433 -4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.718 14.665 -3.612 1.00 0.00 H new ATOM 413 N ALA A 29 6.692 11.368 -1.954 1.00 0.00 N ATOM 414 CA ALA A 29 5.595 10.862 -1.141 1.00 0.00 C ATOM 415 C ALA A 29 6.074 9.789 -0.177 1.00 0.00 C ATOM 416 O ALA A 29 5.958 8.599 -0.461 1.00 0.00 O ATOM 417 CB ALA A 29 4.495 10.309 -2.034 1.00 0.00 C ATOM 0 H ALA A 29 7.289 10.647 -2.359 1.00 0.00 H new ATOM 0 HA ALA A 29 5.199 11.691 -0.554 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.679 9.933 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.122 11.100 -2.685 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.894 9.497 -2.642 1.00 0.00 H new ATOM 423 N LYS A 30 6.603 10.217 0.964 1.00 0.00 N ATOM 424 CA LYS A 30 7.091 9.290 1.979 1.00 0.00 C ATOM 425 C LYS A 30 6.261 9.409 3.252 1.00 0.00 C ATOM 426 O LYS A 30 6.541 10.247 4.110 1.00 0.00 O ATOM 427 CB LYS A 30 8.566 9.559 2.289 1.00 0.00 C ATOM 428 CG LYS A 30 8.899 11.035 2.428 1.00 0.00 C ATOM 429 CD LYS A 30 9.407 11.614 1.117 1.00 0.00 C ATOM 430 CE LYS A 30 10.843 11.200 0.843 1.00 0.00 C ATOM 431 NZ LYS A 30 11.819 12.051 1.580 1.00 0.00 N ATOM 0 H LYS A 30 6.705 11.202 1.210 1.00 0.00 H new ATOM 0 HA LYS A 30 6.995 8.277 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.834 9.046 3.213 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.179 9.130 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.012 11.581 2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.654 11.168 3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.769 11.280 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.341 12.702 1.149 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.981 10.158 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.041 11.264 -0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.786 11.735 1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.705 13.042 1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.647 11.970 2.603 1.00 0.00 H new ATOM 445 N GLU A 31 5.234 8.574 3.365 1.00 0.00 N ATOM 446 CA GLU A 31 4.361 8.600 4.534 1.00 0.00 C ATOM 447 C GLU A 31 3.683 7.253 4.761 1.00 0.00 C ATOM 448 O GLU A 31 3.856 6.314 3.984 1.00 0.00 O ATOM 449 CB GLU A 31 3.301 9.691 4.376 1.00 0.00 C ATOM 450 CG GLU A 31 2.570 9.644 3.045 1.00 0.00 C ATOM 451 CD GLU A 31 1.668 10.845 2.835 1.00 0.00 C ATOM 452 OE1 GLU A 31 0.557 10.860 3.407 1.00 0.00 O ATOM 453 OE2 GLU A 31 2.071 11.771 2.099 1.00 0.00 O ATOM 0 H GLU A 31 4.986 7.874 2.666 1.00 0.00 H new ATOM 0 HA GLU A 31 4.982 8.816 5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.574 9.599 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.776 10.666 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.298 9.595 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.974 8.733 2.993 1.00 0.00 H new ATOM 460 N GLU A 32 2.909 7.174 5.839 1.00 0.00 N ATOM 461 CA GLU A 32 2.194 5.950 6.190 1.00 0.00 C ATOM 462 C GLU A 32 0.911 5.814 5.395 1.00 0.00 C ATOM 463 O GLU A 32 0.390 6.792 4.860 1.00 0.00 O ATOM 464 CB GLU A 32 1.836 5.943 7.675 1.00 0.00 C ATOM 465 CG GLU A 32 1.397 4.582 8.184 1.00 0.00 C ATOM 466 CD GLU A 32 -0.111 4.422 8.202 1.00 0.00 C ATOM 467 OE1 GLU A 32 -0.818 5.451 8.197 1.00 0.00 O ATOM 468 OE2 GLU A 32 -0.585 3.266 8.222 1.00 0.00 O ATOM 0 H GLU A 32 2.760 7.947 6.488 1.00 0.00 H new ATOM 0 HA GLU A 32 2.857 5.116 5.958 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.699 6.277 8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.037 6.663 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.833 3.806 7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.786 4.433 9.191 1.00 0.00 H new ATOM 475 N HIS A 33 0.388 4.597 5.346 1.00 0.00 N ATOM 476 CA HIS A 33 -0.858 4.347 4.640 1.00 0.00 C ATOM 477 C HIS A 33 -1.534 3.081 5.144 1.00 0.00 C ATOM 478 O HIS A 33 -0.943 2.009 5.164 1.00 0.00 O ATOM 479 CB HIS A 33 -0.624 4.251 3.133 1.00 0.00 C ATOM 480 CG HIS A 33 -1.794 4.728 2.329 1.00 0.00 C ATOM 481 ND1 HIS A 33 -2.962 4.006 2.199 1.00 0.00 N ATOM 482 CD2 HIS A 33 -1.977 5.867 1.619 1.00 0.00 C ATOM 483 CE1 HIS A 33 -3.812 4.679 1.445 1.00 0.00 C ATOM 484 NE2 HIS A 33 -3.238 5.811 1.080 1.00 0.00 N ATOM 0 H HIS A 33 0.804 3.774 5.783 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.519 5.191 4.838 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.255 4.839 2.869 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.407 3.216 2.870 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.264 6.669 1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.807 4.358 1.173 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.663 6.528 0.492 1.00 0.00 H new ATOM 493 N ARG A 34 -2.782 3.215 5.556 1.00 0.00 N ATOM 494 CA ARG A 34 -3.536 2.072 6.055 1.00 0.00 C ATOM 495 C ARG A 34 -4.077 1.230 4.902 1.00 0.00 C ATOM 496 O ARG A 34 -3.903 0.013 4.879 1.00 0.00 O ATOM 497 CB ARG A 34 -4.688 2.529 6.940 1.00 0.00 C ATOM 498 CG ARG A 34 -4.846 1.700 8.205 1.00 0.00 C ATOM 499 CD ARG A 34 -5.341 0.294 7.895 1.00 0.00 C ATOM 500 NE ARG A 34 -4.284 -0.553 7.349 1.00 0.00 N ATOM 501 CZ ARG A 34 -4.495 -1.748 6.802 1.00 0.00 C ATOM 502 NH1 ARG A 34 -5.719 -2.255 6.747 1.00 0.00 N ATOM 503 NH2 ARG A 34 -3.478 -2.436 6.304 1.00 0.00 N ATOM 0 H ARG A 34 -3.295 4.097 5.556 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.855 1.461 6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.533 3.572 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.615 2.485 6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.890 1.643 8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.547 2.193 8.879 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.735 -0.160 8.804 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.165 0.349 7.183 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.325 -0.208 7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.507 -1.729 7.125 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.873 -3.171 6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.535 -2.050 6.340 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.638 -3.352 5.885 1.00 0.00 H new ATOM 517 N ASN A 35 -4.730 1.880 3.942 1.00 0.00 N ATOM 518 CA ASN A 35 -5.287 1.169 2.795 1.00 0.00 C ATOM 519 C ASN A 35 -4.196 0.862 1.779 1.00 0.00 C ATOM 520 O ASN A 35 -4.264 1.272 0.617 1.00 0.00 O ATOM 521 CB ASN A 35 -6.401 1.984 2.137 1.00 0.00 C ATOM 522 CG ASN A 35 -7.672 2.012 2.966 1.00 0.00 C ATOM 523 OD1 ASN A 35 -8.275 3.068 3.157 1.00 0.00 O ATOM 524 ND2 ASN A 35 -8.091 0.848 3.462 1.00 0.00 N ATOM 0 H ASN A 35 -4.885 2.888 3.935 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.711 0.231 3.153 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.053 3.005 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.621 1.565 1.155 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.941 0.810 4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.561 -0.004 3.280 1.00 0.00 H new ATOM 531 N MET A 36 -3.189 0.129 2.234 1.00 0.00 N ATOM 532 CA MET A 36 -2.068 -0.259 1.395 1.00 0.00 C ATOM 533 C MET A 36 -2.548 -0.937 0.119 1.00 0.00 C ATOM 534 O MET A 36 -1.875 -0.897 -0.911 1.00 0.00 O ATOM 535 CB MET A 36 -1.155 -1.197 2.180 1.00 0.00 C ATOM 536 CG MET A 36 0.182 -1.460 1.505 1.00 0.00 C ATOM 537 SD MET A 36 0.090 -2.761 0.261 1.00 0.00 S ATOM 538 CE MET A 36 -0.500 -4.132 1.250 1.00 0.00 C ATOM 0 H MET A 36 -3.128 -0.212 3.193 1.00 0.00 H new ATOM 0 HA MET A 36 -1.516 0.636 1.109 1.00 0.00 H new ATOM 0 HB2 MET A 36 -0.975 -0.772 3.167 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.668 -2.147 2.331 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.535 -0.541 1.038 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.917 -1.737 2.260 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.068 -5.061 0.878 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.205 -3.985 2.289 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.587 -4.186 1.185 1.00 0.00 H new ATOM 548 N CYS A 37 -3.721 -1.556 0.194 1.00 0.00 N ATOM 549 CA CYS A 37 -4.298 -2.240 -0.954 1.00 0.00 C ATOM 550 C CYS A 37 -4.526 -1.267 -2.100 1.00 0.00 C ATOM 551 O CYS A 37 -3.875 -1.353 -3.141 1.00 0.00 O ATOM 552 CB CYS A 37 -5.619 -2.905 -0.562 1.00 0.00 C ATOM 553 SG CYS A 37 -5.429 -4.446 0.393 1.00 0.00 S ATOM 0 H CYS A 37 -4.290 -1.597 1.039 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.597 -3.007 -1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.208 -2.199 0.023 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.187 -3.120 -1.467 1.00 0.00 H new ATOM 558 N ALA A 38 -5.451 -0.339 -1.897 1.00 0.00 N ATOM 559 CA ALA A 38 -5.768 0.660 -2.912 1.00 0.00 C ATOM 560 C ALA A 38 -4.505 1.336 -3.421 1.00 0.00 C ATOM 561 O ALA A 38 -4.458 1.824 -4.549 1.00 0.00 O ATOM 562 CB ALA A 38 -6.739 1.690 -2.356 1.00 0.00 C ATOM 0 H ALA A 38 -5.996 -0.256 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.242 0.154 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.966 2.428 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.659 1.193 -2.047 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.289 2.187 -1.497 1.00 0.00 H new ATOM 568 N LEU A 39 -3.482 1.358 -2.580 1.00 0.00 N ATOM 569 CA LEU A 39 -2.213 1.970 -2.932 1.00 0.00 C ATOM 570 C LEU A 39 -1.466 1.128 -3.952 1.00 0.00 C ATOM 571 O LEU A 39 -0.967 1.639 -4.952 1.00 0.00 O ATOM 572 CB LEU A 39 -1.364 2.117 -1.674 1.00 0.00 C ATOM 573 CG LEU A 39 -0.975 3.549 -1.305 1.00 0.00 C ATOM 574 CD1 LEU A 39 -2.194 4.456 -1.313 1.00 0.00 C ATOM 575 CD2 LEU A 39 -0.293 3.578 0.056 1.00 0.00 C ATOM 0 H LEU A 39 -3.508 0.956 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.407 2.948 -3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.908 1.680 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.453 1.533 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.273 3.919 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.895 5.470 -1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.640 4.458 -2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.923 4.092 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.022 4.604 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.974 3.189 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.606 2.962 0.026 1.00 0.00 H new ATOM 587 N CYS A 40 -1.386 -0.165 -3.681 1.00 0.00 N ATOM 588 CA CYS A 40 -0.686 -1.083 -4.564 1.00 0.00 C ATOM 589 C CYS A 40 -1.400 -1.200 -5.902 1.00 0.00 C ATOM 590 O CYS A 40 -0.764 -1.327 -6.948 1.00 0.00 O ATOM 591 CB CYS A 40 -0.557 -2.459 -3.904 1.00 0.00 C ATOM 592 SG CYS A 40 -2.058 -3.489 -4.000 1.00 0.00 S ATOM 0 H CYS A 40 -1.797 -0.602 -2.856 1.00 0.00 H new ATOM 0 HA CYS A 40 0.313 -0.687 -4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.267 -2.997 -4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.293 -2.321 -2.855 1.00 0.00 H new ATOM 597 N CYS A 41 -2.725 -1.161 -5.862 1.00 0.00 N ATOM 598 CA CYS A 41 -3.520 -1.271 -7.074 1.00 0.00 C ATOM 599 C CYS A 41 -3.567 0.051 -7.833 1.00 0.00 C ATOM 600 O CYS A 41 -3.567 0.076 -9.064 1.00 0.00 O ATOM 601 CB CYS A 41 -4.929 -1.730 -6.720 1.00 0.00 C ATOM 602 SG CYS A 41 -6.138 -0.400 -6.425 1.00 0.00 S ATOM 0 H CYS A 41 -3.269 -1.054 -5.006 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.051 -2.007 -7.727 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.300 -2.361 -7.527 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -4.876 -2.353 -5.827 1.00 0.00 H new ATOM 607 N GLU A 42 -3.634 1.144 -7.086 1.00 0.00 N ATOM 608 CA GLU A 42 -3.715 2.479 -7.685 1.00 0.00 C ATOM 609 C GLU A 42 -2.352 2.997 -8.147 1.00 0.00 C ATOM 610 O GLU A 42 -2.267 3.752 -9.116 1.00 0.00 O ATOM 611 CB GLU A 42 -4.333 3.468 -6.697 1.00 0.00 C ATOM 612 CG GLU A 42 -4.736 4.788 -7.332 1.00 0.00 C ATOM 613 CD GLU A 42 -6.062 4.701 -8.063 1.00 0.00 C ATOM 614 OE1 GLU A 42 -6.227 3.775 -8.885 1.00 0.00 O ATOM 615 OE2 GLU A 42 -6.936 5.558 -7.814 1.00 0.00 O ATOM 0 H GLU A 42 -3.634 1.138 -6.066 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.350 2.391 -8.567 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.211 3.011 -6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.620 3.662 -5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.801 5.554 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.960 5.103 -8.030 1.00 0.00 H new ATOM 622 N HIS A 43 -1.292 2.606 -7.450 1.00 0.00 N ATOM 623 CA HIS A 43 0.054 3.057 -7.796 1.00 0.00 C ATOM 624 C HIS A 43 0.629 2.262 -8.965 1.00 0.00 C ATOM 625 O HIS A 43 0.057 1.256 -9.386 1.00 0.00 O ATOM 626 CB HIS A 43 0.966 2.960 -6.574 1.00 0.00 C ATOM 627 CG HIS A 43 0.707 4.046 -5.578 1.00 0.00 C ATOM 628 ND1 HIS A 43 0.469 5.355 -5.941 1.00 0.00 N ATOM 629 CD2 HIS A 43 0.633 4.013 -4.228 1.00 0.00 C ATOM 630 CE1 HIS A 43 0.263 6.080 -4.856 1.00 0.00 C ATOM 631 NE2 HIS A 43 0.357 5.290 -3.804 1.00 0.00 N ATOM 0 H HIS A 43 -1.336 1.981 -6.645 1.00 0.00 H new ATOM 0 HA HIS A 43 -0.007 4.099 -8.112 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.825 1.991 -6.095 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.006 3.008 -6.896 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.454 5.708 -6.898 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.766 3.144 -3.600 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.053 7.139 -4.834 1.00 0.00 H new ATOM 640 N PRO A 44 1.771 2.714 -9.512 1.00 0.00 N ATOM 641 CA PRO A 44 2.426 2.053 -10.645 1.00 0.00 C ATOM 642 C PRO A 44 2.953 0.677 -10.269 1.00 0.00 C ATOM 643 O PRO A 44 4.121 0.522 -9.912 1.00 0.00 O ATOM 644 CB PRO A 44 3.584 3.000 -11.004 1.00 0.00 C ATOM 645 CG PRO A 44 3.269 4.285 -10.312 1.00 0.00 C ATOM 646 CD PRO A 44 2.515 3.904 -9.075 1.00 0.00 C ATOM 0 HA PRO A 44 1.739 1.883 -11.474 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.540 2.597 -10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.657 3.141 -12.082 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.180 4.829 -10.063 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.672 4.937 -10.949 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.184 3.682 -8.244 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.849 4.701 -8.744 1.00 0.00 H new ATOM 654 N GLY A 45 2.077 -0.321 -10.334 1.00 0.00 N ATOM 655 CA GLY A 45 2.470 -1.669 -9.979 1.00 0.00 C ATOM 656 C GLY A 45 2.880 -1.774 -8.522 1.00 0.00 C ATOM 657 O GLY A 45 3.528 -2.742 -8.122 1.00 0.00 O ATOM 0 H GLY A 45 1.105 -0.219 -10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.643 -2.351 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.299 -1.984 -10.613 1.00 0.00 H new ATOM 661 N GLY A 46 2.501 -0.774 -7.730 1.00 0.00 N ATOM 662 CA GLY A 46 2.840 -0.770 -6.320 1.00 0.00 C ATOM 663 C GLY A 46 3.904 0.255 -5.981 1.00 0.00 C ATOM 664 O GLY A 46 5.072 0.084 -6.330 1.00 0.00 O ATOM 0 H GLY A 46 1.964 0.035 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.943 -0.565 -5.735 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.190 -1.761 -6.031 1.00 0.00 H new ATOM 668 N PHE A 47 3.505 1.322 -5.292 1.00 0.00 N ATOM 669 CA PHE A 47 4.441 2.373 -4.898 1.00 0.00 C ATOM 670 C PHE A 47 5.615 1.780 -4.136 1.00 0.00 C ATOM 671 O PHE A 47 5.713 0.563 -3.977 1.00 0.00 O ATOM 672 CB PHE A 47 3.735 3.420 -4.025 1.00 0.00 C ATOM 673 CG PHE A 47 3.498 4.748 -4.702 1.00 0.00 C ATOM 674 CD1 PHE A 47 3.517 4.860 -6.083 1.00 0.00 C ATOM 675 CD2 PHE A 47 3.250 5.884 -3.948 1.00 0.00 C ATOM 676 CE1 PHE A 47 3.294 6.077 -6.698 1.00 0.00 C ATOM 677 CE2 PHE A 47 3.027 7.104 -4.557 1.00 0.00 C ATOM 678 CZ PHE A 47 3.048 7.200 -5.935 1.00 0.00 C ATOM 0 H PHE A 47 2.542 1.482 -4.995 1.00 0.00 H new ATOM 0 HA PHE A 47 4.812 2.856 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.776 3.016 -3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.330 3.586 -3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.709 3.985 -6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.231 5.815 -2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.312 6.149 -7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.837 7.981 -3.957 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.872 8.152 -6.414 1.00 0.00 H new ATOM 688 N GLU A 48 6.500 2.641 -3.655 1.00 0.00 N ATOM 689 CA GLU A 48 7.656 2.171 -2.898 1.00 0.00 C ATOM 690 C GLU A 48 7.321 2.116 -1.418 1.00 0.00 C ATOM 691 O GLU A 48 7.828 2.906 -0.620 1.00 0.00 O ATOM 692 CB GLU A 48 8.889 3.058 -3.124 1.00 0.00 C ATOM 693 CG GLU A 48 8.786 3.970 -4.330 1.00 0.00 C ATOM 694 CD GLU A 48 9.935 3.788 -5.304 1.00 0.00 C ATOM 695 OE1 GLU A 48 11.006 4.387 -5.077 1.00 0.00 O ATOM 696 OE2 GLU A 48 9.762 3.046 -6.294 1.00 0.00 O ATOM 0 H GLU A 48 6.444 3.653 -3.771 1.00 0.00 H new ATOM 0 HA GLU A 48 7.899 1.171 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.052 3.667 -2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.765 2.420 -3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.845 3.778 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.761 5.007 -3.995 1.00 0.00 H new ATOM 703 N TYR A 49 6.461 1.177 -1.058 1.00 0.00 N ATOM 704 CA TYR A 49 6.060 1.013 0.326 1.00 0.00 C ATOM 705 C TYR A 49 6.681 -0.222 0.931 1.00 0.00 C ATOM 706 O TYR A 49 7.185 -1.098 0.231 1.00 0.00 O ATOM 707 CB TYR A 49 4.558 0.916 0.467 1.00 0.00 C ATOM 708 CG TYR A 49 3.898 -0.068 -0.449 1.00 0.00 C ATOM 709 CD1 TYR A 49 3.715 -1.382 -0.053 1.00 0.00 C ATOM 710 CD2 TYR A 49 3.439 0.319 -1.694 1.00 0.00 C ATOM 711 CE1 TYR A 49 3.093 -2.291 -0.876 1.00 0.00 C ATOM 712 CE2 TYR A 49 2.812 -0.579 -2.525 1.00 0.00 C ATOM 713 CZ TYR A 49 2.640 -1.885 -2.116 1.00 0.00 C ATOM 714 OH TYR A 49 2.010 -2.781 -2.945 1.00 0.00 O ATOM 0 H TYR A 49 6.029 0.518 -1.706 1.00 0.00 H new ATOM 0 HA TYR A 49 6.412 1.899 0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.322 0.646 1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.127 1.901 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.067 -1.698 0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.575 1.340 -2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.960 -3.314 -0.556 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.456 -0.263 -3.494 1.00 0.00 H new ATOM 0 HH TYR A 49 1.493 -3.416 -2.407 1.00 0.00 H new ATOM 724 N SER A 50 6.621 -0.278 2.242 1.00 0.00 N ATOM 725 CA SER A 50 7.158 -1.401 2.981 1.00 0.00 C ATOM 726 C SER A 50 6.294 -1.672 4.201 1.00 0.00 C ATOM 727 O SER A 50 6.407 -0.986 5.217 1.00 0.00 O ATOM 728 CB SER A 50 8.599 -1.116 3.393 1.00 0.00 C ATOM 729 OG SER A 50 8.928 0.249 3.204 1.00 0.00 O ATOM 0 H SER A 50 6.202 0.447 2.824 1.00 0.00 H new ATOM 0 HA SER A 50 7.152 -2.287 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.740 -1.385 4.440 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.276 -1.740 2.810 1.00 0.00 H new ATOM 0 HG SER A 50 8.856 0.724 4.058 1.00 0.00 H new ATOM 735 N ASN A 51 5.415 -2.659 4.091 1.00 0.00 N ATOM 736 CA ASN A 51 4.522 -2.993 5.189 1.00 0.00 C ATOM 737 C ASN A 51 5.280 -3.126 6.498 1.00 0.00 C ATOM 738 O ASN A 51 6.304 -3.805 6.578 1.00 0.00 O ATOM 739 CB ASN A 51 3.757 -4.278 4.914 1.00 0.00 C ATOM 740 CG ASN A 51 3.053 -4.262 3.571 1.00 0.00 C ATOM 741 OD1 ASN A 51 3.371 -3.453 2.700 1.00 0.00 O ATOM 742 ND2 ASN A 51 2.089 -5.159 3.398 1.00 0.00 N ATOM 0 H ASN A 51 5.302 -3.238 3.259 1.00 0.00 H new ATOM 0 HA ASN A 51 3.810 -2.172 5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.447 -5.121 4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.022 -4.435 5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.579 -5.196 2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.858 -5.811 4.148 1.00 0.00 H new ATOM 749 N GLY A 52 4.759 -2.471 7.516 1.00 0.00 N ATOM 750 CA GLY A 52 5.381 -2.514 8.827 1.00 0.00 C ATOM 751 C GLY A 52 5.534 -1.140 9.448 1.00 0.00 C ATOM 752 O GLY A 52 5.409 -0.128 8.759 1.00 0.00 O ATOM 0 H GLY A 52 3.912 -1.905 7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.783 -3.142 9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.362 -2.982 8.744 1.00 0.00 H new ATOM 756 N PRO A 53 5.805 -1.073 10.763 1.00 0.00 N ATOM 757 CA PRO A 53 5.972 0.198 11.470 1.00 0.00 C ATOM 758 C PRO A 53 7.301 0.874 11.149 1.00 0.00 C ATOM 759 O PRO A 53 8.261 0.775 11.913 1.00 0.00 O ATOM 760 CB PRO A 53 5.924 -0.213 12.943 1.00 0.00 C ATOM 761 CG PRO A 53 6.417 -1.618 12.957 1.00 0.00 C ATOM 762 CD PRO A 53 5.967 -2.233 11.660 1.00 0.00 C ATOM 0 HA PRO A 53 5.211 0.925 11.188 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.552 0.434 13.556 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.912 -0.144 13.341 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.503 -1.649 13.046 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.011 -2.164 13.808 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.703 -2.938 11.274 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.032 -2.781 11.779 1.00 0.00 H new ATOM 770 N CYS A 54 7.348 1.566 10.015 1.00 0.00 N ATOM 771 CA CYS A 54 8.559 2.266 9.594 1.00 0.00 C ATOM 772 C CYS A 54 8.318 3.778 9.570 1.00 0.00 C ATOM 773 O CYS A 54 8.508 4.455 10.580 1.00 0.00 O ATOM 774 CB CYS A 54 9.040 1.762 8.219 1.00 0.00 C ATOM 775 SG CYS A 54 7.851 0.696 7.328 1.00 0.00 S ATOM 0 H CYS A 54 6.563 1.658 9.371 1.00 0.00 H new ATOM 0 HA CYS A 54 9.346 2.054 10.317 1.00 0.00 H new ATOM 0 HB2 CYS A 54 9.272 2.624 7.593 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.969 1.209 8.356 1.00 0.00 H new ATOM 780 N GLU A 55 7.888 4.297 8.421 1.00 0.00 N ATOM 781 CA GLU A 55 7.605 5.725 8.264 1.00 0.00 C ATOM 782 C GLU A 55 8.660 6.587 8.956 1.00 0.00 C ATOM 783 O GLU A 55 8.343 7.746 9.296 1.00 0.00 O ATOM 784 CB GLU A 55 6.213 6.048 8.815 1.00 0.00 C ATOM 785 CG GLU A 55 6.108 5.917 10.326 1.00 0.00 C ATOM 786 CD GLU A 55 4.743 6.317 10.851 1.00 0.00 C ATOM 787 OE1 GLU A 55 3.762 5.602 10.558 1.00 0.00 O ATOM 788 OE2 GLU A 55 4.654 7.345 11.555 1.00 0.00 O ATOM 789 OXT GLU A 55 9.791 6.095 9.153 1.00 0.00 O ATOM 0 H GLU A 55 7.727 3.746 7.578 1.00 0.00 H new ATOM 0 HA GLU A 55 7.634 5.957 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.945 7.065 8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.485 5.383 8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.316 4.886 10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.870 6.539 10.795 1.00 0.00 H new