USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 617 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 52 ASN : amide:sc= -0.585 X(o=-0.56,f=-1) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0.0301 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= -0.0507 USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= -0.0627 USER MOD Set 3.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -99:sc= 0.111 (180deg=0) USER MOD Single : A 2 HIS :FLIP no HD1:sc= 0.074 F(o=-2!,f=0.074) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.626 F(o=-3.1!,f=-0.63) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.034 F(o=-0.77,f=-0.034) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.41 F(o=-1.1,f=-0.41) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 140:sc= -1.25 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0621 USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0.417 (180deg=0.269) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 78:sc= 1.34 USER MOD Single : A 39 CYS SG : rot 95:sc= 0.571 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.0972 F(o=-1.9!,f=-0.097) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 51:sc= -1.29 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 153:sc= 1.07 USER MOD Single : A 76 THR OG1 : rot 7:sc= 0.62 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.696 -7.540 17.319 1.00 0.00 N ATOM 2 CA SER A 1 3.899 -7.755 15.890 1.00 0.00 C ATOM 3 C SER A 1 3.745 -6.422 15.154 1.00 0.00 C ATOM 4 O SER A 1 3.112 -5.501 15.664 1.00 0.00 O ATOM 5 CB SER A 1 2.936 -8.774 15.339 1.00 0.00 C ATOM 6 OG SER A 1 3.378 -9.118 14.040 1.00 0.00 O ATOM 0 H1 SER A 1 4.619 -7.468 17.794 1.00 0.00 H new ATOM 0 H2 SER A 1 3.162 -6.660 17.465 1.00 0.00 H new ATOM 0 H3 SER A 1 3.162 -8.339 17.718 1.00 0.00 H new ATOM 0 HA SER A 1 4.905 -8.146 15.738 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.903 -9.656 15.979 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.925 -8.367 15.305 1.00 0.00 H new ATOM 0 HG SER A 1 2.771 -9.783 13.653 1.00 0.00 H new ATOM 13 N HIS A 2 4.355 -6.273 13.972 1.00 0.00 N ATOM 14 CA HIS A 2 4.332 -5.024 13.149 1.00 0.00 C ATOM 15 C HIS A 2 4.945 -5.242 11.731 1.00 0.00 C ATOM 16 O HIS A 2 4.292 -5.849 10.872 1.00 0.00 O ATOM 17 CB HIS A 2 4.977 -3.841 13.939 1.00 0.00 C ATOM 18 CG HIS A 2 6.222 -4.143 14.739 1.00 0.00 C ATOM 19 ND1 HIS A 2 7.520 -3.955 14.334 1.00 0.00 N flip ATOM 20 CD2 HIS A 2 6.280 -4.532 16.068 1.00 0.00 C flip ATOM 21 CE1 HIS A 2 8.357 -4.288 15.390 1.00 0.00 C flip ATOM 22 NE2 HIS A 2 7.569 -4.612 16.415 1.00 0.00 N flip ATOM 0 H HIS A 2 4.893 -7.023 13.539 1.00 0.00 H new ATOM 0 HA HIS A 2 3.294 -4.749 12.963 1.00 0.00 H new ATOM 0 HB2 HIS A 2 5.216 -3.050 13.228 1.00 0.00 H new ATOM 0 HB3 HIS A 2 4.226 -3.441 14.620 1.00 0.00 H new ATOM 0 HD2 HIS A 2 5.435 -4.734 16.709 1.00 0.00 H new ATOM 0 HE1 HIS A 2 9.437 -4.285 15.383 1.00 0.00 H new ATOM 0 HE2 HIS A 2 7.904 -4.884 17.339 1.00 0.00 H new ATOM 30 N MET A 3 6.272 -5.046 11.600 1.00 0.00 N ATOM 31 CA MET A 3 7.155 -5.343 10.448 1.00 0.00 C ATOM 32 C MET A 3 7.293 -6.855 10.143 1.00 0.00 C ATOM 33 O MET A 3 8.379 -7.298 9.780 1.00 0.00 O ATOM 34 CB MET A 3 8.499 -4.618 10.648 1.00 0.00 C ATOM 35 CG MET A 3 8.295 -3.107 10.604 1.00 0.00 C ATOM 36 SD MET A 3 9.819 -2.183 10.805 1.00 0.00 S ATOM 37 CE MET A 3 9.088 -0.534 11.028 1.00 0.00 C ATOM 0 H MET A 3 6.805 -4.638 12.368 1.00 0.00 H new ATOM 0 HA MET A 3 6.689 -4.954 9.543 1.00 0.00 H new ATOM 0 HB2 MET A 3 8.937 -4.905 11.604 1.00 0.00 H new ATOM 0 HB3 MET A 3 9.202 -4.920 9.872 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.836 -2.836 9.653 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.596 -2.818 11.389 1.00 0.00 H new ATOM 0 HE1 MET A 3 9.882 0.199 11.171 1.00 0.00 H new ATOM 0 HE2 MET A 3 8.506 -0.271 10.144 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.437 -0.540 11.902 1.00 0.00 H new ATOM 47 N THR A 4 6.241 -7.667 10.337 1.00 0.00 N ATOM 48 CA THR A 4 6.272 -9.115 10.132 1.00 0.00 C ATOM 49 C THR A 4 5.468 -9.524 8.909 1.00 0.00 C ATOM 50 O THR A 4 6.082 -9.833 7.901 1.00 0.00 O ATOM 51 CB THR A 4 5.805 -9.800 11.425 1.00 0.00 C ATOM 52 OG1 THR A 4 6.358 -9.176 12.559 1.00 0.00 O ATOM 53 CG2 THR A 4 6.186 -11.274 11.431 1.00 0.00 C ATOM 0 H THR A 4 5.331 -7.324 10.646 1.00 0.00 H new ATOM 0 HA THR A 4 7.290 -9.442 9.921 1.00 0.00 H new ATOM 0 HB THR A 4 4.719 -9.710 11.462 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.043 -9.630 13.368 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.843 -11.735 12.358 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.719 -11.774 10.583 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.269 -11.370 11.357 1.00 0.00 H new ATOM 61 N ALA A 5 4.145 -9.359 8.922 1.00 0.00 N ATOM 62 CA ALA A 5 3.323 -9.618 7.738 1.00 0.00 C ATOM 63 C ALA A 5 3.445 -8.461 6.741 1.00 0.00 C ATOM 64 O ALA A 5 3.562 -8.662 5.540 1.00 0.00 O ATOM 65 CB ALA A 5 1.891 -9.890 8.202 1.00 0.00 C ATOM 0 H ALA A 5 3.619 -9.047 9.739 1.00 0.00 H new ATOM 0 HA ALA A 5 3.668 -10.500 7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.259 -10.086 7.336 1.00 0.00 H new ATOM 0 HB2 ALA A 5 1.881 -10.757 8.862 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.511 -9.021 8.739 1.00 0.00 H new ATOM 71 N VAL A 6 3.400 -7.220 7.236 1.00 0.00 N ATOM 72 CA VAL A 6 3.477 -5.972 6.435 1.00 0.00 C ATOM 73 C VAL A 6 4.779 -5.921 5.633 1.00 0.00 C ATOM 74 O VAL A 6 4.794 -5.513 4.474 1.00 0.00 O ATOM 75 CB VAL A 6 3.277 -4.705 7.304 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.562 -4.191 7.960 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.603 -3.578 6.523 1.00 0.00 C ATOM 0 H VAL A 6 3.306 -7.040 8.236 1.00 0.00 H new ATOM 0 HA VAL A 6 2.651 -5.985 5.724 1.00 0.00 H new ATOM 0 HB VAL A 6 2.617 -5.025 8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.339 -3.303 8.551 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.974 -4.964 8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.289 -3.940 7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.482 -2.709 7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.221 -3.309 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.625 -3.911 6.175 1.00 0.00 H new ATOM 87 N GLN A 7 5.859 -6.449 6.222 1.00 0.00 N ATOM 88 CA GLN A 7 7.182 -6.487 5.649 1.00 0.00 C ATOM 89 C GLN A 7 7.238 -7.455 4.466 1.00 0.00 C ATOM 90 O GLN A 7 7.450 -7.032 3.335 1.00 0.00 O ATOM 91 CB GLN A 7 8.132 -6.896 6.798 1.00 0.00 C ATOM 92 CG GLN A 7 9.617 -7.106 6.446 1.00 0.00 C ATOM 93 CD GLN A 7 10.289 -5.788 6.154 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.746 -5.055 5.191 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 11.264 -5.390 6.797 1.00 0.00 N flip ATOM 0 H GLN A 7 5.818 -6.875 7.148 1.00 0.00 H new ATOM 0 HA GLN A 7 7.477 -5.520 5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.074 -6.131 7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.755 -7.821 7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 7 10.125 -7.603 7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.701 -7.762 5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.662 -5.974 7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.671 -4.477 6.593 1.00 0.00 H new ATOM 104 N ASP A 8 6.999 -8.710 4.802 1.00 0.00 N ATOM 105 CA ASP A 8 6.898 -9.908 3.931 1.00 0.00 C ATOM 106 C ASP A 8 6.036 -9.653 2.707 1.00 0.00 C ATOM 107 O ASP A 8 6.430 -9.936 1.574 1.00 0.00 O ATOM 108 CB ASP A 8 6.346 -11.069 4.805 1.00 0.00 C ATOM 109 CG ASP A 8 6.231 -12.435 4.125 1.00 0.00 C ATOM 110 OD1 ASP A 8 7.127 -13.038 3.710 1.00 0.00 O ATOM 111 OD2 ASP A 8 5.032 -13.003 4.216 1.00 0.00 O1- ATOM 0 H ASP A 8 6.854 -8.959 5.780 1.00 0.00 H new ATOM 0 HA ASP A 8 7.880 -10.170 3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.989 -11.175 5.679 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.359 -10.784 5.169 1.00 0.00 H new ATOM 116 N PHE A 9 4.870 -8.999 2.885 1.00 0.00 N ATOM 117 CA PHE A 9 3.975 -8.533 1.825 1.00 0.00 C ATOM 118 C PHE A 9 4.632 -7.473 0.911 1.00 0.00 C ATOM 119 O PHE A 9 4.637 -7.615 -0.308 1.00 0.00 O ATOM 120 CB PHE A 9 2.707 -7.925 2.448 1.00 0.00 C ATOM 121 CG PHE A 9 1.816 -7.252 1.416 1.00 0.00 C ATOM 122 CD1 PHE A 9 1.047 -8.023 0.523 1.00 0.00 C ATOM 123 CD2 PHE A 9 1.896 -5.856 1.241 1.00 0.00 C ATOM 124 CE1 PHE A 9 0.375 -7.394 -0.540 1.00 0.00 C ATOM 125 CE2 PHE A 9 1.219 -5.239 0.177 1.00 0.00 C ATOM 126 CZ PHE A 9 0.450 -6.005 -0.708 1.00 0.00 C ATOM 0 H PHE A 9 4.518 -8.775 3.816 1.00 0.00 H new ATOM 0 HA PHE A 9 3.733 -9.401 1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.143 -8.709 2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.992 -7.197 3.207 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.974 -9.093 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.479 -5.259 1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.204 -7.987 -1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.291 -4.170 0.041 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.083 -5.527 -1.517 1.00 0.00 H new ATOM 136 N VAL A 10 5.145 -6.398 1.505 1.00 0.00 N ATOM 137 CA VAL A 10 5.631 -5.192 0.769 1.00 0.00 C ATOM 138 C VAL A 10 6.645 -5.537 -0.321 1.00 0.00 C ATOM 139 O VAL A 10 6.515 -5.078 -1.455 1.00 0.00 O ATOM 140 CB VAL A 10 6.198 -4.136 1.749 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.110 -3.074 1.108 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.064 -3.366 2.452 1.00 0.00 C ATOM 0 H VAL A 10 5.244 -6.321 2.517 1.00 0.00 H new ATOM 0 HA VAL A 10 4.767 -4.762 0.263 1.00 0.00 H new ATOM 0 HB VAL A 10 6.794 -4.729 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.456 -2.381 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.968 -3.562 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.552 -2.526 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.492 -2.631 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.453 -2.857 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.444 -4.064 3.014 1.00 0.00 H new ATOM 152 N VAL A 11 7.624 -6.400 -0.011 1.00 0.00 N ATOM 153 CA VAL A 11 8.664 -6.885 -0.942 1.00 0.00 C ATOM 154 C VAL A 11 8.200 -7.632 -2.195 1.00 0.00 C ATOM 155 O VAL A 11 8.957 -7.703 -3.164 1.00 0.00 O ATOM 156 CB VAL A 11 9.896 -7.562 -0.288 1.00 0.00 C ATOM 157 CG1 VAL A 11 11.135 -6.647 -0.359 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.673 -7.774 1.220 1.00 0.00 C ATOM 0 H VAL A 11 7.720 -6.795 0.925 1.00 0.00 H new ATOM 0 HA VAL A 11 9.007 -5.921 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 11 10.039 -8.499 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.984 -7.147 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.369 -6.431 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.930 -5.715 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.552 -8.250 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.507 -6.811 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.802 -8.411 1.373 1.00 0.00 H new ATOM 168 N ASP A 12 6.982 -8.152 -2.186 1.00 0.00 N ATOM 169 CA ASP A 12 6.399 -8.830 -3.361 1.00 0.00 C ATOM 170 C ASP A 12 6.155 -7.842 -4.519 1.00 0.00 C ATOM 171 O ASP A 12 6.592 -8.061 -5.639 1.00 0.00 O ATOM 172 CB ASP A 12 5.106 -9.538 -2.915 1.00 0.00 C ATOM 173 CG ASP A 12 4.772 -10.794 -3.739 1.00 0.00 C ATOM 174 OD1 ASP A 12 3.952 -11.596 -3.231 1.00 0.00 O ATOM 175 OD2 ASP A 12 5.269 -10.946 -4.879 1.00 0.00 O1- ATOM 0 H ASP A 12 6.364 -8.123 -1.375 1.00 0.00 H new ATOM 0 HA ASP A 12 7.098 -9.572 -3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.199 -9.817 -1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.275 -8.836 -2.986 1.00 0.00 H new ATOM 180 N ILE A 13 5.616 -6.651 -4.220 1.00 0.00 N ATOM 181 CA ILE A 13 5.587 -5.452 -5.083 1.00 0.00 C ATOM 182 C ILE A 13 7.029 -4.980 -5.252 1.00 0.00 C ATOM 183 O ILE A 13 7.478 -4.757 -6.370 1.00 0.00 O ATOM 184 CB ILE A 13 4.732 -4.353 -4.447 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.239 -4.706 -4.316 1.00 0.00 C ATOM 186 CG2 ILE A 13 4.862 -3.098 -5.321 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.900 -5.784 -3.285 1.00 0.00 C ATOM 0 H ILE A 13 5.163 -6.485 -3.321 1.00 0.00 H new ATOM 0 HA ILE A 13 5.145 -5.687 -6.051 1.00 0.00 H new ATOM 0 HB ILE A 13 5.100 -4.207 -3.432 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.691 -3.799 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.875 -5.034 -5.290 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.263 -2.294 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.907 -2.790 -5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.509 -3.318 -6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.823 -5.953 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.411 -6.711 -3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.224 -5.457 -2.297 1.00 0.00 H new ATOM 199 N LEU A 14 7.730 -4.783 -4.131 1.00 0.00 N ATOM 200 CA LEU A 14 8.946 -3.984 -4.071 1.00 0.00 C ATOM 201 C LEU A 14 10.027 -4.526 -5.001 1.00 0.00 C ATOM 202 O LEU A 14 10.509 -3.851 -5.910 1.00 0.00 O ATOM 203 CB LEU A 14 9.479 -3.865 -2.622 1.00 0.00 C ATOM 204 CG LEU A 14 10.057 -2.491 -2.237 1.00 0.00 C ATOM 205 CD1 LEU A 14 10.874 -2.594 -0.943 1.00 0.00 C ATOM 206 CD2 LEU A 14 10.905 -1.902 -3.363 1.00 0.00 C ATOM 0 H LEU A 14 7.461 -5.181 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 14 8.683 -2.984 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.667 -4.103 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.253 -4.619 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 14 9.219 -1.815 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.275 -1.613 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.233 -2.947 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.696 -3.295 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.296 -0.932 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.734 -2.574 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.291 -1.779 -4.255 1.00 0.00 H new ATOM 218 N LEU A 15 10.465 -5.768 -4.773 1.00 0.00 N ATOM 219 CA LEU A 15 11.590 -6.350 -5.514 1.00 0.00 C ATOM 220 C LEU A 15 11.163 -7.333 -6.597 1.00 0.00 C ATOM 221 O LEU A 15 11.822 -7.415 -7.636 1.00 0.00 O ATOM 222 CB LEU A 15 12.557 -7.043 -4.543 1.00 0.00 C ATOM 223 CG LEU A 15 13.298 -6.080 -3.602 1.00 0.00 C ATOM 224 CD1 LEU A 15 14.160 -6.892 -2.631 1.00 0.00 C ATOM 225 CD2 LEU A 15 14.176 -5.066 -4.362 1.00 0.00 C ATOM 0 H LEU A 15 10.056 -6.393 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 15 12.084 -5.520 -6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.999 -7.763 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.290 -7.608 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 15 12.548 -5.505 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.689 -6.215 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.523 -7.557 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.883 -7.483 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.676 -4.411 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.923 -5.600 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.551 -4.469 -5.026 1.00 0.00 H new ATOM 237 N ASN A 16 10.056 -8.049 -6.387 1.00 0.00 N ATOM 238 CA ASN A 16 9.579 -9.057 -7.332 1.00 0.00 C ATOM 239 C ASN A 16 8.655 -8.389 -8.385 1.00 0.00 C ATOM 240 O ASN A 16 8.569 -8.860 -9.521 1.00 0.00 O ATOM 241 CB ASN A 16 8.852 -10.228 -6.620 1.00 0.00 C ATOM 242 CG ASN A 16 9.446 -10.796 -5.308 1.00 0.00 C ATOM 243 OD1 ASN A 16 10.645 -10.449 -4.883 1.00 0.00 O flip ATOM 244 ND2 ASN A 16 8.810 -11.600 -4.642 1.00 0.00 N flip ATOM 0 H ASN A 16 9.468 -7.946 -5.560 1.00 0.00 H new ATOM 0 HA ASN A 16 10.446 -9.486 -7.834 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.834 -9.901 -6.406 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.779 -11.051 -7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.879 -11.889 -4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.210 -11.982 -3.785 1.00 0.00 H new ATOM 251 N GLY A 17 8.011 -7.261 -8.038 1.00 0.00 N ATOM 252 CA GLY A 17 6.950 -6.602 -8.827 1.00 0.00 C ATOM 253 C GLY A 17 5.559 -7.191 -8.657 1.00 0.00 C ATOM 254 O GLY A 17 5.346 -8.362 -8.322 1.00 0.00 O ATOM 0 H GLY A 17 8.220 -6.765 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.917 -5.548 -8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.221 -6.649 -9.882 1.00 0.00 H new ATOM 258 N ALA A 18 4.591 -6.326 -8.931 1.00 0.00 N ATOM 259 CA ALA A 18 3.179 -6.525 -8.692 1.00 0.00 C ATOM 260 C ALA A 18 2.461 -7.260 -9.845 1.00 0.00 C ATOM 261 O ALA A 18 3.022 -7.588 -10.884 1.00 0.00 O ATOM 262 CB ALA A 18 2.597 -5.147 -8.348 1.00 0.00 C ATOM 0 H ALA A 18 4.788 -5.417 -9.350 1.00 0.00 H new ATOM 0 HA ALA A 18 3.018 -7.205 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.528 -5.241 -8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.091 -4.755 -7.459 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.758 -4.465 -9.183 1.00 0.00 H new ATOM 268 N ARG A 19 1.132 -7.266 -9.690 1.00 0.00 N ATOM 269 CA ARG A 19 0.086 -7.022 -10.702 1.00 0.00 C ATOM 270 C ARG A 19 0.408 -5.796 -11.537 1.00 0.00 C ATOM 271 O ARG A 19 1.477 -5.193 -11.474 1.00 0.00 O ATOM 272 CB ARG A 19 -1.269 -6.883 -9.957 1.00 0.00 C ATOM 273 CG ARG A 19 -2.132 -8.132 -10.123 1.00 0.00 C ATOM 274 CD ARG A 19 -1.657 -9.369 -9.345 1.00 0.00 C ATOM 275 NE ARG A 19 -1.407 -10.520 -10.258 1.00 0.00 N ATOM 276 CZ ARG A 19 -0.301 -10.832 -10.904 1.00 0.00 C ATOM 277 NH1 ARG A 19 0.750 -10.070 -10.925 1.00 0.00 N ATOM 278 NH2 ARG A 19 -0.284 -11.839 -11.729 1.00 0.00 N ATOM 0 H ARG A 19 0.721 -7.458 -8.776 1.00 0.00 H new ATOM 0 HA ARG A 19 0.031 -7.855 -11.403 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.086 -6.705 -8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.807 -6.015 -10.338 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.149 -7.895 -9.810 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.176 -8.385 -11.182 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.744 -9.130 -8.800 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.407 -9.646 -8.604 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.196 -11.150 -10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.745 -9.181 -10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.580 -10.360 -11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.129 -12.391 -11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.574 -12.076 -12.226 1.00 0.00 H new ATOM 292 N ASP A 20 -0.579 -5.409 -12.326 1.00 0.00 N ATOM 293 CA ASP A 20 -0.706 -4.284 -13.245 1.00 0.00 C ATOM 294 C ASP A 20 -0.175 -2.907 -12.743 1.00 0.00 C ATOM 295 O ASP A 20 -0.199 -1.903 -13.467 1.00 0.00 O ATOM 296 CB ASP A 20 -2.212 -4.130 -13.460 1.00 0.00 C ATOM 297 CG ASP A 20 -2.944 -5.255 -14.210 1.00 0.00 C ATOM 298 OD1 ASP A 20 -4.082 -4.886 -14.696 1.00 0.00 O ATOM 299 OD2 ASP A 20 -2.469 -6.379 -14.268 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.438 -5.958 -12.339 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.103 -4.514 -14.123 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.681 -4.018 -12.482 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.380 -3.200 -14.003 1.00 0.00 H new ATOM 304 N TRP A 21 0.284 -2.833 -11.488 1.00 0.00 N ATOM 305 CA TRP A 21 0.871 -1.644 -10.921 1.00 0.00 C ATOM 306 C TRP A 21 2.281 -1.352 -11.432 1.00 0.00 C ATOM 307 O TRP A 21 2.995 -2.252 -11.844 1.00 0.00 O ATOM 308 CB TRP A 21 0.778 -1.659 -9.381 1.00 0.00 C ATOM 309 CG TRP A 21 -0.617 -1.832 -8.806 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.640 -2.614 -9.249 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.219 -0.993 -7.792 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.785 -2.392 -8.536 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.615 -1.311 -7.711 1.00 0.00 C ATOM 314 CE3 TRP A 21 -0.734 0.096 -7.047 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.490 -0.516 -6.967 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -1.612 0.881 -6.288 1.00 0.00 C ATOM 317 CH2 TRP A 21 -2.974 0.565 -6.243 1.00 0.00 C ATOM 0 H TRP A 21 0.251 -3.619 -10.838 1.00 0.00 H new ATOM 0 HA TRP A 21 0.275 -0.803 -11.275 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.408 -2.465 -9.005 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.194 -0.726 -9.001 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.557 -3.321 -10.061 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.638 -2.947 -8.607 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.321 0.329 -7.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.548 -0.732 -6.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.237 1.731 -5.737 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.639 1.165 -5.639 1.00 0.00 H new ATOM 328 N ASP A 22 2.683 -0.092 -11.280 1.00 0.00 N ATOM 329 CA ASP A 22 4.041 0.388 -11.445 1.00 0.00 C ATOM 330 C ASP A 22 4.703 0.540 -10.055 1.00 0.00 C ATOM 331 O ASP A 22 4.013 0.734 -9.051 1.00 0.00 O ATOM 332 CB ASP A 22 4.013 1.671 -12.295 1.00 0.00 C ATOM 333 CG ASP A 22 5.381 2.144 -12.794 1.00 0.00 C ATOM 334 OD1 ASP A 22 6.396 1.461 -12.545 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.397 3.191 -13.474 1.00 0.00 O1- ATOM 0 H ASP A 22 2.034 0.653 -11.026 1.00 0.00 H new ATOM 0 HA ASP A 22 4.664 -0.322 -11.989 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.366 1.505 -13.156 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.561 2.470 -11.706 1.00 0.00 H new ATOM 340 N VAL A 23 6.024 0.435 -9.961 1.00 0.00 N ATOM 341 CA VAL A 23 6.690 0.159 -8.693 1.00 0.00 C ATOM 342 C VAL A 23 7.364 1.435 -8.351 1.00 0.00 C ATOM 343 O VAL A 23 8.407 1.829 -8.885 1.00 0.00 O ATOM 344 CB VAL A 23 7.661 -1.037 -8.741 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.475 -1.180 -7.456 1.00 0.00 C ATOM 346 CG2 VAL A 23 6.879 -2.356 -8.990 1.00 0.00 C ATOM 0 H VAL A 23 6.658 0.538 -10.753 1.00 0.00 H new ATOM 0 HA VAL A 23 5.976 -0.152 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 23 8.353 -0.845 -9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.143 -2.037 -7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.063 -0.276 -7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.801 -1.329 -6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.577 -3.192 -9.022 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.162 -2.512 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.348 -2.290 -9.940 1.00 0.00 H new ATOM 356 N LEU A 24 6.676 2.088 -7.430 1.00 0.00 N ATOM 357 CA LEU A 24 6.882 3.451 -7.112 1.00 0.00 C ATOM 358 C LEU A 24 7.111 3.516 -5.610 1.00 0.00 C ATOM 359 O LEU A 24 6.224 3.341 -4.773 1.00 0.00 O ATOM 360 CB LEU A 24 5.663 4.259 -7.500 1.00 0.00 C ATOM 361 CG LEU A 24 5.589 4.907 -8.882 1.00 0.00 C ATOM 362 CD1 LEU A 24 6.670 5.913 -9.048 1.00 0.00 C ATOM 363 CD2 LEU A 24 5.438 3.896 -10.009 1.00 0.00 C ATOM 0 H LEU A 24 5.939 1.650 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 24 7.735 3.863 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.795 3.607 -7.400 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.551 5.053 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 24 4.660 5.472 -8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.600 6.363 -10.038 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.565 6.688 -8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.639 5.427 -8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.391 4.420 -10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.293 3.219 -10.008 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.522 3.324 -9.864 1.00 0.00 H new ATOM 375 N GLN A 25 8.349 3.789 -5.294 1.00 0.00 N ATOM 376 CA GLN A 25 8.827 3.957 -3.933 1.00 0.00 C ATOM 377 C GLN A 25 8.804 5.465 -3.688 1.00 0.00 C ATOM 378 O GLN A 25 9.808 6.144 -3.934 1.00 0.00 O ATOM 379 CB GLN A 25 10.205 3.357 -3.749 1.00 0.00 C ATOM 380 CG GLN A 25 10.211 1.835 -4.029 1.00 0.00 C ATOM 381 CD GLN A 25 9.401 1.039 -3.040 1.00 0.00 C ATOM 382 OE1 GLN A 25 8.459 0.235 -3.467 1.00 0.00 O flip ATOM 383 NE2 GLN A 25 9.596 1.121 -1.842 1.00 0.00 N flip ATOM 0 H GLN A 25 9.082 3.906 -5.994 1.00 0.00 H new ATOM 0 HA GLN A 25 8.202 3.433 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.909 3.852 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.548 3.541 -2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.823 1.657 -5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.240 1.475 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.324 1.740 -1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.032 0.571 -1.195 1.00 0.00 H new ATOM 392 N THR A 26 7.622 5.965 -3.279 1.00 0.00 N ATOM 393 CA THR A 26 7.373 7.314 -2.841 1.00 0.00 C ATOM 394 C THR A 26 6.595 7.294 -1.484 1.00 0.00 C ATOM 395 O THR A 26 6.613 6.296 -0.746 1.00 0.00 O ATOM 396 CB THR A 26 6.896 8.119 -4.056 1.00 0.00 C ATOM 397 OG1 THR A 26 6.755 9.446 -3.686 1.00 0.00 O ATOM 398 CG2 THR A 26 5.525 7.685 -4.569 1.00 0.00 C ATOM 0 H THR A 26 6.780 5.390 -3.251 1.00 0.00 H new ATOM 0 HA THR A 26 8.241 7.894 -2.528 1.00 0.00 H new ATOM 0 HB THR A 26 7.639 7.958 -4.837 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.452 9.970 -4.457 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.248 8.295 -5.429 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.562 6.637 -4.865 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.784 7.813 -3.780 1.00 0.00 H new ATOM 406 N THR A 27 6.156 8.452 -1.030 1.00 0.00 N ATOM 407 CA THR A 27 5.526 8.672 0.242 1.00 0.00 C ATOM 408 C THR A 27 4.428 9.655 -0.078 1.00 0.00 C ATOM 409 O THR A 27 4.656 10.647 -0.757 1.00 0.00 O ATOM 410 CB THR A 27 6.504 9.232 1.283 1.00 0.00 C ATOM 411 OG1 THR A 27 7.503 10.024 0.684 1.00 0.00 O ATOM 412 CG2 THR A 27 7.209 8.121 2.058 1.00 0.00 C ATOM 0 H THR A 27 6.238 9.309 -1.577 1.00 0.00 H new ATOM 0 HA THR A 27 5.155 7.750 0.689 1.00 0.00 H new ATOM 0 HB THR A 27 5.898 9.834 1.960 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.108 10.366 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.892 8.561 2.784 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.468 7.514 2.578 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.770 7.494 1.365 1.00 0.00 H new ATOM 420 N CYS A 28 3.268 9.463 0.515 1.00 0.00 N ATOM 421 CA CYS A 28 2.062 10.260 0.338 1.00 0.00 C ATOM 422 C CYS A 28 1.635 10.755 1.687 1.00 0.00 C ATOM 423 O CYS A 28 1.918 10.115 2.682 1.00 0.00 O ATOM 424 CB CYS A 28 1.026 9.298 -0.189 1.00 0.00 C ATOM 425 SG CYS A 28 -0.615 10.050 -0.414 1.00 0.00 S ATOM 0 H CYS A 28 3.129 8.699 1.176 1.00 0.00 H new ATOM 0 HA CYS A 28 2.205 11.109 -0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.367 8.896 -1.143 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.940 8.457 0.498 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.148 9.607 -1.514 1.00 0.00 H new ATOM 431 N THR A 29 0.858 11.818 1.746 1.00 0.00 N ATOM 432 CA THR A 29 0.244 12.245 3.026 1.00 0.00 C ATOM 433 C THR A 29 -1.237 12.313 2.899 1.00 0.00 C ATOM 434 O THR A 29 -1.709 12.791 1.872 1.00 0.00 O ATOM 435 CB THR A 29 0.807 13.531 3.638 1.00 0.00 C ATOM 436 OG1 THR A 29 0.783 13.384 5.035 1.00 0.00 O ATOM 437 CG2 THR A 29 0.028 14.795 3.389 1.00 0.00 C ATOM 0 H THR A 29 0.628 12.407 0.945 1.00 0.00 H new ATOM 0 HA THR A 29 0.521 11.469 3.739 1.00 0.00 H new ATOM 0 HB THR A 29 1.786 13.645 3.172 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.140 14.194 5.455 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.529 15.633 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.033 14.980 2.316 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.977 14.689 3.796 1.00 0.00 H new ATOM 445 N VAL A 30 -1.923 11.845 3.947 1.00 0.00 N ATOM 446 CA VAL A 30 -3.408 11.889 4.119 1.00 0.00 C ATOM 447 C VAL A 30 -3.764 11.745 5.608 1.00 0.00 C ATOM 448 O VAL A 30 -3.011 11.108 6.321 1.00 0.00 O ATOM 449 CB VAL A 30 -4.175 10.820 3.256 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.672 10.887 3.510 1.00 0.00 C ATOM 451 CG2 VAL A 30 -4.038 11.049 1.735 1.00 0.00 C ATOM 0 H VAL A 30 -1.455 11.404 4.739 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.739 12.860 3.750 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.729 9.870 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.178 10.138 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.871 10.693 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.042 11.878 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.591 10.277 1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.441 12.028 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.986 11.003 1.454 1.00 0.00 H new ATOM 461 N ASP A 31 -4.843 12.368 6.090 1.00 0.00 N ATOM 462 CA ASP A 31 -5.243 12.370 7.527 1.00 0.00 C ATOM 463 C ASP A 31 -4.224 13.114 8.381 1.00 0.00 C ATOM 464 O ASP A 31 -4.058 12.913 9.594 1.00 0.00 O ATOM 465 CB ASP A 31 -5.527 10.943 8.042 1.00 0.00 C ATOM 466 CG ASP A 31 -6.968 10.479 7.942 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.764 11.060 7.180 1.00 0.00 O ATOM 468 OD2 ASP A 31 -7.346 9.531 8.667 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.482 12.897 5.496 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.182 12.916 7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.901 10.245 7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.218 10.886 9.086 1.00 0.00 H new ATOM 473 N ARG A 32 -3.442 14.015 7.730 1.00 0.00 N ATOM 474 CA ARG A 32 -2.279 14.737 8.270 1.00 0.00 C ATOM 475 C ARG A 32 -1.118 13.737 8.647 1.00 0.00 C ATOM 476 O ARG A 32 -0.212 14.093 9.385 1.00 0.00 O ATOM 477 CB ARG A 32 -2.700 15.653 9.457 1.00 0.00 C ATOM 478 CG ARG A 32 -3.706 16.729 9.028 1.00 0.00 C ATOM 479 CD ARG A 32 -4.432 17.407 10.213 1.00 0.00 C ATOM 480 NE ARG A 32 -5.630 16.617 10.588 1.00 0.00 N ATOM 481 CZ ARG A 32 -6.842 16.673 10.069 1.00 0.00 C ATOM 482 NH1 ARG A 32 -7.142 17.421 9.047 1.00 0.00 N ATOM 483 NH2 ARG A 32 -7.756 15.830 10.483 1.00 0.00 N ATOM 0 H ARG A 32 -3.624 14.265 6.758 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.882 15.392 7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.137 15.043 10.247 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.815 16.132 9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.185 17.491 8.448 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.448 16.278 8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.758 17.489 11.066 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.725 18.421 9.940 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.500 15.944 11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.424 17.999 8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.095 17.429 8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.527 15.140 11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.696 15.863 10.089 1.00 0.00 H new ATOM 497 N LYS A 33 -1.201 12.527 8.107 1.00 0.00 N ATOM 498 CA LYS A 33 -0.237 11.417 8.300 1.00 0.00 C ATOM 499 C LYS A 33 0.349 11.085 6.957 1.00 0.00 C ATOM 500 O LYS A 33 -0.335 10.861 5.960 1.00 0.00 O ATOM 501 CB LYS A 33 -0.886 10.168 8.890 1.00 0.00 C ATOM 502 CG LYS A 33 0.042 8.990 8.706 1.00 0.00 C ATOM 503 CD LYS A 33 -0.353 8.063 9.814 1.00 0.00 C ATOM 504 CE LYS A 33 0.478 6.852 9.867 1.00 0.00 C ATOM 505 NZ LYS A 33 1.941 6.980 9.647 1.00 0.00 N ATOM 0 H LYS A 33 -1.972 12.267 7.492 1.00 0.00 H new ATOM 0 HA LYS A 33 0.525 11.740 9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.096 10.319 9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.840 9.974 8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.086 8.526 7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.088 9.286 8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.280 8.590 10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.397 7.776 9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.330 6.392 10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.092 6.154 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.361 6.034 9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.115 7.530 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.373 7.466 10.459 1.00 0.00 H new ATOM 519 N VAL A 34 1.650 10.904 6.944 1.00 0.00 N ATOM 520 CA VAL A 34 2.354 10.368 5.801 1.00 0.00 C ATOM 521 C VAL A 34 2.386 8.846 5.886 1.00 0.00 C ATOM 522 O VAL A 34 2.582 8.269 6.949 1.00 0.00 O ATOM 523 CB VAL A 34 3.749 10.974 5.718 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.729 10.243 4.778 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.770 12.470 5.376 1.00 0.00 C ATOM 0 H VAL A 34 2.255 11.127 7.734 1.00 0.00 H new ATOM 0 HA VAL A 34 1.832 10.634 4.882 1.00 0.00 H new ATOM 0 HB VAL A 34 4.100 10.839 6.741 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.693 10.752 4.790 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.858 9.215 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.330 10.245 3.764 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.802 12.820 5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.296 12.628 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.227 13.026 6.140 1.00 0.00 H new ATOM 535 N TYR A 35 2.143 8.229 4.744 1.00 0.00 N ATOM 536 CA TYR A 35 2.280 6.806 4.463 1.00 0.00 C ATOM 537 C TYR A 35 3.334 6.604 3.394 1.00 0.00 C ATOM 538 O TYR A 35 3.567 7.465 2.550 1.00 0.00 O ATOM 539 CB TYR A 35 0.954 6.265 3.950 1.00 0.00 C ATOM 540 CG TYR A 35 -0.207 6.571 4.849 1.00 0.00 C ATOM 541 CD1 TYR A 35 -0.388 5.783 5.989 1.00 0.00 C ATOM 542 CD2 TYR A 35 -1.050 7.666 4.604 1.00 0.00 C ATOM 543 CE1 TYR A 35 -1.418 6.076 6.908 1.00 0.00 C ATOM 544 CE2 TYR A 35 -2.091 7.972 5.513 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.286 7.164 6.663 1.00 0.00 C ATOM 546 OH TYR A 35 -3.292 7.435 7.542 1.00 0.00 O ATOM 0 H TYR A 35 1.820 8.746 3.926 1.00 0.00 H new ATOM 0 HA TYR A 35 2.569 6.283 5.375 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.758 6.683 2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.034 5.185 3.829 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.266 4.943 6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.905 8.274 3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.542 5.472 7.794 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.736 8.819 5.332 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.798 8.215 7.230 1.00 0.00 H new ATOM 556 N LYS A 36 3.973 5.442 3.357 1.00 0.00 N ATOM 557 CA LYS A 36 5.006 5.140 2.375 1.00 0.00 C ATOM 558 C LYS A 36 4.492 4.170 1.322 1.00 0.00 C ATOM 559 O LYS A 36 3.915 3.142 1.668 1.00 0.00 O ATOM 560 CB LYS A 36 6.223 4.580 3.096 1.00 0.00 C ATOM 561 CG LYS A 36 6.673 5.190 4.450 1.00 0.00 C ATOM 562 CD LYS A 36 7.825 4.388 5.097 1.00 0.00 C ATOM 563 CE LYS A 36 9.175 4.508 4.357 1.00 0.00 C ATOM 564 NZ LYS A 36 10.023 5.615 4.887 1.00 0.00 N ATOM 0 H LYS A 36 3.789 4.680 4.009 1.00 0.00 H new ATOM 0 HA LYS A 36 5.289 6.054 1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.040 3.519 3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.068 4.654 2.411 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.993 6.220 4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.824 5.219 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.956 4.727 6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.540 3.337 5.142 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.717 3.566 4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.990 4.673 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.917 5.652 4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.520 6.519 4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.225 5.447 5.893 1.00 0.00 H new ATOM 578 N THR A 37 4.625 4.526 0.034 1.00 0.00 N ATOM 579 CA THR A 37 4.020 3.862 -1.125 1.00 0.00 C ATOM 580 C THR A 37 4.939 2.742 -1.592 1.00 0.00 C ATOM 581 O THR A 37 6.147 2.813 -1.419 1.00 0.00 O ATOM 582 CB THR A 37 3.706 4.804 -2.303 1.00 0.00 C ATOM 583 OG1 THR A 37 4.838 4.981 -3.127 1.00 0.00 O ATOM 584 CG2 THR A 37 3.251 6.204 -1.870 1.00 0.00 C ATOM 0 H THR A 37 5.190 5.330 -0.238 1.00 0.00 H new ATOM 0 HA THR A 37 3.058 3.473 -0.792 1.00 0.00 H new ATOM 0 HB THR A 37 2.891 4.314 -2.835 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.954 4.193 -3.697 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.048 6.810 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.345 6.123 -1.270 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.036 6.675 -1.279 1.00 0.00 H new ATOM 592 N ILE A 38 4.364 1.729 -2.207 1.00 0.00 N ATOM 593 CA ILE A 38 5.110 0.629 -2.807 1.00 0.00 C ATOM 594 C ILE A 38 5.024 0.664 -4.302 1.00 0.00 C ATOM 595 O ILE A 38 5.922 0.245 -5.004 1.00 0.00 O ATOM 596 CB ILE A 38 4.543 -0.745 -2.411 1.00 0.00 C ATOM 597 CG1 ILE A 38 3.860 -0.713 -1.010 1.00 0.00 C ATOM 598 CG2 ILE A 38 5.822 -1.644 -2.349 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.333 -2.094 -0.573 1.00 0.00 C ATOM 0 H ILE A 38 3.353 1.640 -2.308 1.00 0.00 H new ATOM 0 HA ILE A 38 6.132 0.755 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 38 3.779 -1.092 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.574 -0.351 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.033 -0.003 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.540 -2.660 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.307 -1.655 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.512 -1.244 -1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.868 -2.012 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.597 -2.448 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.161 -2.801 -0.524 1.00 0.00 H new ATOM 611 N CYS A 39 3.858 1.065 -4.765 1.00 0.00 N ATOM 612 CA CYS A 39 3.415 0.924 -6.142 1.00 0.00 C ATOM 613 C CYS A 39 2.358 1.972 -6.343 1.00 0.00 C ATOM 614 O CYS A 39 1.541 2.311 -5.470 1.00 0.00 O ATOM 615 CB CYS A 39 2.842 -0.522 -6.369 1.00 0.00 C ATOM 616 SG CYS A 39 1.730 -1.145 -5.145 1.00 0.00 S ATOM 0 H CYS A 39 3.163 1.517 -4.170 1.00 0.00 H new ATOM 0 HA CYS A 39 4.229 1.057 -6.855 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.330 -0.536 -7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.683 -1.212 -6.445 1.00 0.00 H new ATOM 0 HG CYS A 39 0.505 -0.924 -5.519 1.00 0.00 H new ATOM 622 N LYS A 40 2.353 2.462 -7.563 1.00 0.00 N ATOM 623 CA LYS A 40 1.335 3.291 -8.112 1.00 0.00 C ATOM 624 C LYS A 40 0.611 2.650 -9.280 1.00 0.00 C ATOM 625 O LYS A 40 1.228 2.013 -10.135 1.00 0.00 O ATOM 626 CB LYS A 40 1.988 4.631 -8.508 1.00 0.00 C ATOM 627 CG LYS A 40 1.008 5.749 -8.825 1.00 0.00 C ATOM 628 CD LYS A 40 1.684 6.857 -9.655 1.00 0.00 C ATOM 629 CE LYS A 40 1.859 6.505 -11.134 1.00 0.00 C ATOM 630 NZ LYS A 40 2.316 7.670 -11.926 1.00 0.00 N ATOM 0 H LYS A 40 3.106 2.275 -8.225 1.00 0.00 H new ATOM 0 HA LYS A 40 0.561 3.451 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.638 4.956 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.623 4.466 -9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.157 5.346 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.619 6.170 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.092 7.769 -9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.662 7.074 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.580 5.694 -11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.913 6.141 -11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.423 7.392 -12.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.616 8.435 -11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.231 8.002 -11.559 1.00 0.00 H new ATOM 644 N ARG A 41 -0.706 2.826 -9.328 1.00 0.00 N ATOM 645 CA ARG A 41 -1.482 2.451 -10.477 1.00 0.00 C ATOM 646 C ARG A 41 -2.639 3.400 -10.527 1.00 0.00 C ATOM 647 O ARG A 41 -3.449 3.481 -9.620 1.00 0.00 O ATOM 648 CB ARG A 41 -1.936 1.015 -10.329 1.00 0.00 C ATOM 649 CG ARG A 41 -3.058 0.676 -11.309 1.00 0.00 C ATOM 650 CD ARG A 41 -4.284 0.411 -10.432 1.00 0.00 C ATOM 651 NE ARG A 41 -5.501 0.133 -11.205 1.00 0.00 N ATOM 652 CZ ARG A 41 -6.702 0.356 -10.684 1.00 0.00 C ATOM 653 NH1 ARG A 41 -6.918 1.240 -9.732 1.00 0.00 N ATOM 654 NH2 ARG A 41 -7.753 -0.258 -11.179 1.00 0.00 N ATOM 0 H ARG A 41 -1.252 3.232 -8.568 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.911 2.509 -11.404 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.091 0.347 -10.497 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.280 0.845 -9.309 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.239 1.498 -12.002 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.806 -0.198 -11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.077 -0.435 -9.776 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.458 1.276 -9.792 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.423 -0.236 -12.153 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.143 1.791 -9.362 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.860 1.374 -9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.645 -0.904 -11.961 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.677 -0.089 -10.781 1.00 0.00 H new ATOM 668 N GLY A 42 -2.685 4.102 -11.622 1.00 0.00 N ATOM 669 CA GLY A 42 -3.655 5.158 -11.784 1.00 0.00 C ATOM 670 C GLY A 42 -3.204 6.358 -10.990 1.00 0.00 C ATOM 671 O GLY A 42 -2.021 6.630 -10.835 1.00 0.00 O ATOM 0 H GLY A 42 -2.064 3.966 -12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.756 5.419 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.635 4.826 -11.442 1.00 0.00 H new ATOM 675 N ASN A 43 -4.163 7.035 -10.367 1.00 0.00 N ATOM 676 CA ASN A 43 -3.971 8.013 -9.289 1.00 0.00 C ATOM 677 C ASN A 43 -4.108 7.371 -7.878 1.00 0.00 C ATOM 678 O ASN A 43 -4.529 8.025 -6.917 1.00 0.00 O ATOM 679 CB ASN A 43 -4.895 9.213 -9.522 1.00 0.00 C ATOM 680 CG ASN A 43 -6.405 8.934 -9.637 1.00 0.00 C ATOM 681 OD1 ASN A 43 -6.884 7.889 -9.045 1.00 0.00 O flip ATOM 682 ND2 ASN A 43 -7.112 9.639 -10.309 1.00 0.00 N flip ATOM 0 H ASN A 43 -5.147 6.914 -10.609 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.946 8.382 -9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.744 9.918 -8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.574 9.712 -10.436 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.722 10.461 -10.771 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.101 9.415 -10.417 1.00 0.00 H new ATOM 689 N THR A 44 -3.812 6.067 -7.848 1.00 0.00 N ATOM 690 CA THR A 44 -3.843 5.179 -6.656 1.00 0.00 C ATOM 691 C THR A 44 -2.424 4.762 -6.323 1.00 0.00 C ATOM 692 O THR A 44 -1.595 4.582 -7.214 1.00 0.00 O ATOM 693 CB THR A 44 -4.763 3.995 -6.845 1.00 0.00 C ATOM 694 OG1 THR A 44 -6.020 4.416 -7.338 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.036 3.206 -5.559 1.00 0.00 C ATOM 0 H THR A 44 -3.529 5.567 -8.691 1.00 0.00 H new ATOM 0 HA THR A 44 -4.258 5.729 -5.812 1.00 0.00 H new ATOM 0 HB THR A 44 -4.239 3.347 -7.548 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.603 3.637 -7.456 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.704 2.373 -5.778 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.096 2.823 -5.161 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.502 3.861 -4.822 1.00 0.00 H new ATOM 703 N TYR A 45 -2.104 4.663 -5.027 1.00 0.00 N ATOM 704 CA TYR A 45 -0.800 4.615 -4.377 1.00 0.00 C ATOM 705 C TYR A 45 -1.102 3.788 -3.154 1.00 0.00 C ATOM 706 O TYR A 45 -1.875 4.178 -2.275 1.00 0.00 O ATOM 707 CB TYR A 45 -0.255 5.961 -3.923 1.00 0.00 C ATOM 708 CG TYR A 45 0.226 6.860 -5.022 1.00 0.00 C ATOM 709 CD1 TYR A 45 1.599 7.007 -5.258 1.00 0.00 C ATOM 710 CD2 TYR A 45 -0.711 7.561 -5.804 1.00 0.00 C ATOM 711 CE1 TYR A 45 2.030 7.928 -6.217 1.00 0.00 C ATOM 712 CE2 TYR A 45 -0.283 8.466 -6.784 1.00 0.00 C ATOM 713 CZ TYR A 45 1.095 8.694 -6.953 1.00 0.00 C ATOM 714 OH TYR A 45 1.500 9.659 -7.810 1.00 0.00 O ATOM 0 H TYR A 45 -2.847 4.608 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.041 4.235 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.034 6.481 -3.365 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.569 5.786 -3.232 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.315 6.416 -4.706 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.767 7.400 -5.647 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.087 8.056 -6.398 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.002 8.982 -7.402 1.00 0.00 H new ATOM 0 HH TYR A 45 0.717 10.077 -8.225 1.00 0.00 H new ATOM 724 N LEU A 46 -0.589 2.577 -3.194 1.00 0.00 N ATOM 725 CA LEU A 46 -0.762 1.633 -2.123 1.00 0.00 C ATOM 726 C LEU A 46 0.377 1.908 -1.162 1.00 0.00 C ATOM 727 O LEU A 46 1.535 1.906 -1.589 1.00 0.00 O ATOM 728 CB LEU A 46 -0.656 0.265 -2.764 1.00 0.00 C ATOM 729 CG LEU A 46 -1.803 -0.730 -2.537 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.172 -1.347 -1.187 1.00 0.00 C ATOM 731 CD2 LEU A 46 -3.073 -0.148 -3.123 1.00 0.00 C ATOM 0 H LEU A 46 -0.038 2.223 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.709 1.699 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.546 0.408 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.264 -0.200 -2.409 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.345 -1.596 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.023 -2.017 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.322 -1.909 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.434 -0.556 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.897 -0.844 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.301 0.798 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.936 0.022 -4.191 1.00 0.00 H new ATOM 743 N CYS A 47 0.046 2.097 0.104 1.00 0.00 N ATOM 744 CA CYS A 47 1.005 2.492 1.119 1.00 0.00 C ATOM 745 C CYS A 47 0.853 1.630 2.359 1.00 0.00 C ATOM 746 O CYS A 47 -0.124 0.893 2.507 1.00 0.00 O ATOM 747 CB CYS A 47 0.780 3.971 1.485 1.00 0.00 C ATOM 748 SG CYS A 47 0.411 5.008 0.050 1.00 0.00 S ATOM 0 H CYS A 47 -0.903 1.979 0.458 1.00 0.00 H new ATOM 0 HA CYS A 47 2.012 2.359 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.041 4.042 2.198 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.670 4.355 1.984 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.551 4.469 -0.639 1.00 0.00 H new ATOM 754 N PHE A 48 1.790 1.764 3.290 1.00 0.00 N ATOM 755 CA PHE A 48 1.806 0.998 4.524 1.00 0.00 C ATOM 756 C PHE A 48 2.337 1.812 5.709 1.00 0.00 C ATOM 757 O PHE A 48 3.123 2.745 5.523 1.00 0.00 O ATOM 758 CB PHE A 48 2.589 -0.302 4.299 1.00 0.00 C ATOM 759 CG PHE A 48 4.086 -0.170 4.190 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.883 -0.503 5.292 1.00 0.00 C ATOM 761 CD2 PHE A 48 4.681 0.237 2.984 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.276 -0.471 5.189 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.079 0.279 2.872 1.00 0.00 C ATOM 764 CZ PHE A 48 6.879 -0.089 3.974 1.00 0.00 C ATOM 0 H PHE A 48 2.569 2.417 3.205 1.00 0.00 H new ATOM 0 HA PHE A 48 0.781 0.742 4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.365 -0.983 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.220 -0.770 3.387 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.419 -0.786 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.063 0.517 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.888 -0.738 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.540 0.591 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.955 -0.078 3.886 1.00 0.00 H new ATOM 774 N ASP A 49 1.878 1.430 6.902 1.00 0.00 N ATOM 775 CA ASP A 49 2.486 1.833 8.177 1.00 0.00 C ATOM 776 C ASP A 49 3.078 0.611 8.877 1.00 0.00 C ATOM 777 O ASP A 49 3.306 -0.432 8.274 1.00 0.00 O ATOM 778 CB ASP A 49 1.440 2.404 9.154 1.00 0.00 C ATOM 779 CG ASP A 49 0.798 3.715 8.790 1.00 0.00 C ATOM 780 OD1 ASP A 49 1.552 4.597 8.321 1.00 0.00 O ATOM 781 OD2 ASP A 49 -0.353 3.948 9.221 1.00 0.00 O1- ATOM 0 H ASP A 49 1.064 0.825 7.014 1.00 0.00 H new ATOM 0 HA ASP A 49 3.239 2.584 7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.650 1.663 9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.916 2.521 10.128 1.00 0.00 H new ATOM 786 N ASP A 50 3.235 0.692 10.193 1.00 0.00 N ATOM 787 CA ASP A 50 3.810 -0.330 11.013 1.00 0.00 C ATOM 788 C ASP A 50 2.926 -1.549 11.183 1.00 0.00 C ATOM 789 O ASP A 50 3.227 -2.518 11.866 1.00 0.00 O ATOM 790 CB ASP A 50 4.158 0.251 12.379 1.00 0.00 C ATOM 791 CG ASP A 50 5.164 1.384 12.364 1.00 0.00 C ATOM 792 OD1 ASP A 50 6.362 1.145 12.296 1.00 0.00 O ATOM 793 OD2 ASP A 50 4.817 2.566 12.466 1.00 0.00 O1- ATOM 0 H ASP A 50 2.948 1.513 10.726 1.00 0.00 H new ATOM 0 HA ASP A 50 4.707 -0.675 10.498 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.241 0.608 12.848 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.547 -0.550 13.008 1.00 0.00 H new ATOM 798 N THR A 51 1.714 -1.490 10.663 1.00 0.00 N ATOM 799 CA THR A 51 0.573 -2.278 11.181 1.00 0.00 C ATOM 800 C THR A 51 -0.315 -2.922 10.106 1.00 0.00 C ATOM 801 O THR A 51 -0.941 -3.952 10.351 1.00 0.00 O ATOM 802 CB THR A 51 -0.347 -1.370 12.021 1.00 0.00 C ATOM 803 OG1 THR A 51 0.276 -0.209 12.506 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.813 -2.085 13.286 1.00 0.00 C ATOM 0 H THR A 51 1.476 -0.898 9.867 1.00 0.00 H new ATOM 0 HA THR A 51 1.034 -3.080 11.758 1.00 0.00 H new ATOM 0 HB THR A 51 -1.152 -1.117 11.331 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.368 0.315 13.026 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.461 -1.423 13.861 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.364 -2.985 13.013 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.053 -2.359 13.889 1.00 0.00 H new ATOM 812 N ASN A 52 -0.279 -2.359 8.898 1.00 0.00 N ATOM 813 CA ASN A 52 -1.280 -2.506 7.863 1.00 0.00 C ATOM 814 C ASN A 52 -1.091 -1.450 6.774 1.00 0.00 C ATOM 815 O ASN A 52 -0.191 -0.607 6.813 1.00 0.00 O ATOM 816 CB ASN A 52 -2.733 -2.588 8.371 1.00 0.00 C ATOM 817 CG ASN A 52 -3.195 -1.494 9.305 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.310 -1.666 10.514 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.527 -0.338 8.747 1.00 0.00 N ATOM 0 H ASN A 52 0.493 -1.759 8.609 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.111 -3.488 7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.395 -2.596 7.505 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.861 -3.544 8.879 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.884 0.423 9.325 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.426 -0.210 7.740 1.00 0.00 H new ATOM 826 N LEU A 53 -1.911 -1.588 5.732 1.00 0.00 N ATOM 827 CA LEU A 53 -1.851 -0.857 4.495 1.00 0.00 C ATOM 828 C LEU A 53 -3.037 0.071 4.330 1.00 0.00 C ATOM 829 O LEU A 53 -4.047 -0.038 5.028 1.00 0.00 O ATOM 830 CB LEU A 53 -1.732 -1.858 3.340 1.00 0.00 C ATOM 831 CG LEU A 53 -0.272 -2.324 3.272 1.00 0.00 C ATOM 832 CD1 LEU A 53 -0.069 -3.581 4.077 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.205 -2.716 1.892 1.00 0.00 C ATOM 0 H LEU A 53 -2.679 -2.259 5.744 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.973 -0.212 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.397 -2.707 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.029 -1.393 2.400 1.00 0.00 H new ATOM 0 HG LEU A 53 0.278 -1.457 3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.974 -3.890 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.327 -3.391 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.707 -4.372 3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.247 -3.031 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.404 -3.538 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.117 -1.862 1.220 1.00 0.00 H new ATOM 845 N TYR A 54 -2.884 0.974 3.369 1.00 0.00 N ATOM 846 CA TYR A 54 -3.897 1.951 3.036 1.00 0.00 C ATOM 847 C TYR A 54 -3.736 2.250 1.552 1.00 0.00 C ATOM 848 O TYR A 54 -2.632 2.539 1.076 1.00 0.00 O ATOM 849 CB TYR A 54 -3.837 3.235 3.879 1.00 0.00 C ATOM 850 CG TYR A 54 -3.644 3.090 5.384 1.00 0.00 C ATOM 851 CD1 TYR A 54 -2.462 2.569 5.964 1.00 0.00 C ATOM 852 CD2 TYR A 54 -4.694 3.493 6.228 1.00 0.00 C ATOM 853 CE1 TYR A 54 -2.394 2.339 7.353 1.00 0.00 C ATOM 854 CE2 TYR A 54 -4.583 3.387 7.619 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.435 2.799 8.193 1.00 0.00 C ATOM 856 OH TYR A 54 -3.366 2.656 9.545 1.00 0.00 O ATOM 0 H TYR A 54 -2.042 1.044 2.797 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.879 1.537 3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.023 3.850 3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.761 3.789 3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -1.609 2.347 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.600 3.891 5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.550 1.813 7.774 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.376 3.755 8.253 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.172 3.032 9.955 1.00 0.00 H new ATOM 866 N ALA A 55 -4.831 2.191 0.799 1.00 0.00 N ATOM 867 CA ALA A 55 -4.835 2.663 -0.581 1.00 0.00 C ATOM 868 C ALA A 55 -5.206 4.139 -0.574 1.00 0.00 C ATOM 869 O ALA A 55 -6.332 4.472 -0.217 1.00 0.00 O ATOM 870 CB ALA A 55 -5.793 1.800 -1.417 1.00 0.00 C ATOM 0 H ALA A 55 -5.725 1.821 1.121 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.853 2.567 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.795 2.154 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.464 0.761 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.800 1.872 -1.006 1.00 0.00 H new ATOM 876 N ILE A 56 -4.265 5.009 -0.928 1.00 0.00 N ATOM 877 CA ILE A 56 -4.592 6.402 -1.168 1.00 0.00 C ATOM 878 C ILE A 56 -4.937 6.569 -2.652 1.00 0.00 C ATOM 879 O ILE A 56 -4.074 6.399 -3.508 1.00 0.00 O ATOM 880 CB ILE A 56 -3.532 7.360 -0.604 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.579 7.393 0.952 1.00 0.00 C ATOM 882 CG2 ILE A 56 -3.913 8.781 -1.091 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.681 6.393 1.696 1.00 0.00 C ATOM 0 H ILE A 56 -3.281 4.773 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.480 6.695 -0.608 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.543 7.038 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.311 8.398 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.609 7.221 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.187 9.501 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.916 8.804 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.905 9.039 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.808 6.520 2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.958 5.377 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.639 6.572 1.430 1.00 0.00 H new ATOM 895 N THR A 57 -6.188 6.947 -2.929 1.00 0.00 N ATOM 896 CA THR A 57 -6.662 7.323 -4.262 1.00 0.00 C ATOM 897 C THR A 57 -6.996 8.794 -4.229 1.00 0.00 C ATOM 898 O THR A 57 -7.968 9.222 -3.601 1.00 0.00 O ATOM 899 CB THR A 57 -7.894 6.531 -4.720 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.606 5.172 -4.641 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.170 6.793 -6.192 1.00 0.00 C ATOM 0 H THR A 57 -6.915 7.001 -2.216 1.00 0.00 H new ATOM 0 HA THR A 57 -5.872 7.095 -4.977 1.00 0.00 H new ATOM 0 HB THR A 57 -8.738 6.825 -4.096 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.387 4.655 -4.930 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.046 6.225 -6.505 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.353 7.857 -6.344 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.308 6.485 -6.784 1.00 0.00 H new ATOM 909 N GLY A 58 -6.167 9.620 -4.874 1.00 0.00 N ATOM 910 CA GLY A 58 -6.230 11.092 -4.800 1.00 0.00 C ATOM 911 C GLY A 58 -5.919 11.576 -3.371 1.00 0.00 C ATOM 912 O GLY A 58 -4.773 11.856 -3.060 1.00 0.00 O ATOM 0 H GLY A 58 -5.416 9.282 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.518 11.528 -5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.221 11.435 -5.098 1.00 0.00 H new ATOM 916 N ASP A 59 -6.974 11.570 -2.564 1.00 0.00 N ATOM 917 CA ASP A 59 -7.044 12.062 -1.176 1.00 0.00 C ATOM 918 C ASP A 59 -7.774 11.060 -0.285 1.00 0.00 C ATOM 919 O ASP A 59 -8.012 11.350 0.887 1.00 0.00 O ATOM 920 CB ASP A 59 -7.818 13.383 -1.226 1.00 0.00 C ATOM 921 CG ASP A 59 -7.137 14.620 -1.816 1.00 0.00 C ATOM 922 OD1 ASP A 59 -6.129 14.523 -2.558 1.00 0.00 O ATOM 923 OD2 ASP A 59 -7.657 15.732 -1.530 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.870 11.197 -2.876 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.046 12.198 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.732 13.208 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.118 13.627 -0.207 1.00 0.00 H new ATOM 928 N VAL A 60 -8.209 9.894 -0.812 1.00 0.00 N ATOM 929 CA VAL A 60 -9.058 8.916 -0.155 1.00 0.00 C ATOM 930 C VAL A 60 -8.173 7.887 0.516 1.00 0.00 C ATOM 931 O VAL A 60 -7.522 7.150 -0.202 1.00 0.00 O ATOM 932 CB VAL A 60 -9.972 8.160 -1.164 1.00 0.00 C ATOM 933 CG1 VAL A 60 -10.676 6.915 -0.553 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.000 9.118 -1.771 1.00 0.00 C ATOM 0 H VAL A 60 -7.955 9.609 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.689 9.449 0.557 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.317 7.781 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.296 6.438 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.925 6.208 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.302 7.225 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.632 8.576 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.618 9.539 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.483 9.923 -2.294 1.00 0.00 H new ATOM 944 N VAL A 61 -8.161 7.854 1.842 1.00 0.00 N ATOM 945 CA VAL A 61 -7.412 6.837 2.602 1.00 0.00 C ATOM 946 C VAL A 61 -8.304 5.642 2.920 1.00 0.00 C ATOM 947 O VAL A 61 -9.213 5.686 3.759 1.00 0.00 O ATOM 948 CB VAL A 61 -6.696 7.442 3.820 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.636 7.993 4.905 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.727 6.449 4.461 1.00 0.00 C ATOM 0 H VAL A 61 -8.663 8.522 2.426 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.606 6.452 1.978 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.148 8.289 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.045 8.400 5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.259 8.781 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.271 7.190 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.242 6.916 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.275 5.567 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.972 6.155 3.732 1.00 0.00 H new ATOM 960 N LEU A 62 -8.023 4.549 2.209 1.00 0.00 N ATOM 961 CA LEU A 62 -8.704 3.274 2.387 1.00 0.00 C ATOM 962 C LEU A 62 -7.802 2.320 3.179 1.00 0.00 C ATOM 963 O LEU A 62 -7.009 1.563 2.627 1.00 0.00 O ATOM 964 CB LEU A 62 -9.169 2.789 1.001 1.00 0.00 C ATOM 965 CG LEU A 62 -10.037 1.510 0.933 1.00 0.00 C ATOM 966 CD1 LEU A 62 -9.436 0.231 1.518 1.00 0.00 C ATOM 967 CD2 LEU A 62 -11.423 1.738 1.541 1.00 0.00 C ATOM 0 H LEU A 62 -7.305 4.528 1.484 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.607 3.348 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.730 3.599 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.282 2.623 0.390 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.100 1.328 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.146 -0.589 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.514 -0.013 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.219 0.382 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.005 0.819 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.318 2.028 2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.934 2.530 0.994 1.00 0.00 H new ATOM 979 N LYS A 63 -7.957 2.383 4.501 1.00 0.00 N ATOM 980 CA LYS A 63 -7.391 1.475 5.515 1.00 0.00 C ATOM 981 C LYS A 63 -7.763 -0.008 5.318 1.00 0.00 C ATOM 982 O LYS A 63 -8.939 -0.365 5.292 1.00 0.00 O ATOM 983 CB LYS A 63 -7.835 1.931 6.928 1.00 0.00 C ATOM 984 CG LYS A 63 -9.356 2.172 7.102 1.00 0.00 C ATOM 985 CD LYS A 63 -9.990 1.517 8.346 1.00 0.00 C ATOM 986 CE LYS A 63 -9.273 1.890 9.648 1.00 0.00 C ATOM 987 NZ LYS A 63 -10.165 1.779 10.830 1.00 0.00 N ATOM 0 H LYS A 63 -8.520 3.119 4.928 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.309 1.536 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.519 1.178 7.650 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.308 2.852 7.176 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.534 3.246 7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.870 1.801 6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.036 1.816 8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.976 0.434 8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.409 1.240 9.784 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.896 2.910 9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.639 2.041 11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.977 2.418 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.505 0.800 10.917 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.761 -0.887 5.266 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.945 -2.336 5.213 1.00 0.00 C ATOM 1003 C PHE A 64 -6.770 -2.941 6.609 1.00 0.00 C ATOM 1004 O PHE A 64 -5.810 -2.650 7.313 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.939 -2.932 4.240 1.00 0.00 C ATOM 1006 CG PHE A 64 -6.138 -2.540 2.794 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -5.169 -1.786 2.114 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -7.331 -2.876 2.130 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -5.368 -1.392 0.781 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -7.540 -2.473 0.800 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.551 -1.742 0.113 1.00 0.00 C ATOM 0 H PHE A 64 -5.781 -0.605 5.259 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.953 -2.565 4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.937 -2.632 4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.983 -4.018 4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.259 -1.505 2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.090 -3.446 2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.609 -0.819 0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.464 -2.725 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.702 -1.454 -0.917 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.668 -3.853 6.994 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.581 -4.602 8.261 1.00 0.00 C ATOM 1023 C ALA A 65 -6.548 -5.748 8.295 1.00 0.00 C ATOM 1024 O ALA A 65 -6.480 -6.463 9.293 1.00 0.00 O ATOM 1025 CB ALA A 65 -8.949 -5.229 8.523 1.00 0.00 C ATOM 0 H ALA A 65 -8.484 -4.098 6.433 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.260 -3.877 9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.919 -5.792 9.456 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.701 -4.443 8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.205 -5.900 7.703 1.00 0.00 H new ATOM 1031 N THR A 66 -5.799 -5.962 7.211 1.00 0.00 N ATOM 1032 CA THR A 66 -4.760 -6.962 7.096 1.00 0.00 C ATOM 1033 C THR A 66 -3.850 -6.413 6.066 1.00 0.00 C ATOM 1034 O THR A 66 -4.179 -5.536 5.271 1.00 0.00 O ATOM 1035 CB THR A 66 -5.179 -8.385 6.649 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.537 -8.582 6.466 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.793 -9.432 7.665 1.00 0.00 C ATOM 0 H THR A 66 -5.913 -5.414 6.358 1.00 0.00 H new ATOM 0 HA THR A 66 -4.348 -7.120 8.093 1.00 0.00 H new ATOM 0 HB THR A 66 -4.657 -8.480 5.697 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.698 -9.507 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.105 -10.415 7.312 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.712 -9.423 7.804 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.282 -9.215 8.615 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.747 -7.103 5.993 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.858 -6.945 4.883 1.00 0.00 C ATOM 1047 C VAL A 67 -2.368 -7.694 3.641 1.00 0.00 C ATOM 1048 O VAL A 67 -2.310 -7.222 2.510 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.509 -7.510 5.272 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.449 -6.635 4.525 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.010 -7.395 6.678 1.00 0.00 C ATOM 0 H VAL A 67 -2.444 -7.781 6.692 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.791 -5.885 4.637 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.606 -8.580 5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.470 -6.954 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.255 -6.713 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.320 -5.600 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.992 -7.864 6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.092 -6.343 6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.677 -7.895 7.361 1.00 0.00 H new ATOM 1061 N SER A 68 -2.940 -8.889 3.853 1.00 0.00 N ATOM 1062 CA SER A 68 -3.512 -9.748 2.802 1.00 0.00 C ATOM 1063 C SER A 68 -4.623 -9.048 1.985 1.00 0.00 C ATOM 1064 O SER A 68 -4.691 -9.257 0.772 1.00 0.00 O ATOM 1065 CB SER A 68 -4.061 -11.065 3.416 1.00 0.00 C ATOM 1066 OG SER A 68 -5.096 -10.828 4.383 1.00 0.00 O ATOM 0 H SER A 68 -3.020 -9.296 4.785 1.00 0.00 H new ATOM 0 HA SER A 68 -2.699 -9.972 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.450 -11.700 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.244 -11.611 3.888 1.00 0.00 H new ATOM 0 HG SER A 68 -5.412 -11.684 4.741 1.00 0.00 H new ATOM 1072 N LYS A 69 -5.342 -8.099 2.593 1.00 0.00 N ATOM 1073 CA LYS A 69 -6.371 -7.317 1.894 1.00 0.00 C ATOM 1074 C LYS A 69 -5.818 -6.513 0.750 1.00 0.00 C ATOM 1075 O LYS A 69 -6.370 -6.498 -0.346 1.00 0.00 O ATOM 1076 CB LYS A 69 -7.066 -6.353 2.843 1.00 0.00 C ATOM 1077 CG LYS A 69 -7.352 -6.940 4.210 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.614 -6.376 4.822 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.578 -7.574 4.888 1.00 0.00 C ATOM 1080 NZ LYS A 69 -11.013 -7.272 5.174 1.00 0.00 N ATOM 0 H LYS A 69 -5.230 -7.851 3.576 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.076 -8.051 1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.446 -5.465 2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.005 -6.029 2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.444 -8.023 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.509 -6.742 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.425 -5.964 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.024 -5.569 4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.526 -8.104 3.937 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.216 -8.259 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.557 -8.158 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.091 -6.799 6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.391 -6.649 4.432 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.702 -5.818 1.013 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.963 -5.063 0.026 1.00 0.00 C ATOM 1096 C ALA A 70 -3.459 -5.943 -1.157 1.00 0.00 C ATOM 1097 O ALA A 70 -3.433 -5.421 -2.269 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.790 -4.381 0.736 1.00 0.00 C ATOM 0 H ALA A 70 -4.289 -5.773 1.945 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.629 -4.324 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.214 -3.803 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.171 -3.716 1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.149 -5.138 1.189 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.199 -7.236 -0.932 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.811 -8.146 -2.043 1.00 0.00 C ATOM 1106 C ARG A 71 -3.974 -8.306 -2.995 1.00 0.00 C ATOM 1107 O ARG A 71 -3.807 -8.165 -4.201 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.310 -9.506 -1.506 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.418 -10.194 -2.552 1.00 0.00 C ATOM 1110 CD ARG A 71 -0.211 -10.937 -1.940 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.498 -12.378 -1.718 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.411 -13.350 -1.610 1.00 0.00 C ATOM 1113 NH1 ARG A 71 1.693 -13.191 -1.876 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.045 -14.608 -1.510 1.00 0.00 N ATOM 0 H ARG A 71 -3.245 -7.680 -0.015 1.00 0.00 H new ATOM 0 HA ARG A 71 -1.978 -7.705 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.751 -9.357 -0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.159 -10.145 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.020 -10.902 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.055 -9.446 -3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.650 -10.837 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.059 -10.471 -0.992 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.478 -12.649 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.041 -12.283 -2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.336 -13.976 -1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.945 -14.853 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.751 -15.340 -1.428 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.168 -8.590 -2.450 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.392 -8.707 -3.211 1.00 0.00 C ATOM 1130 C ALA A 72 -6.868 -7.344 -3.770 1.00 0.00 C ATOM 1131 O ALA A 72 -7.566 -7.300 -4.769 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.395 -9.410 -2.308 1.00 0.00 C ATOM 0 H ALA A 72 -5.297 -8.745 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.249 -9.301 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.342 -9.525 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.011 -10.393 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.551 -8.817 -1.407 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.444 -6.234 -3.173 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.738 -4.869 -3.657 1.00 0.00 C ATOM 1140 C TYR A 73 -6.022 -4.587 -4.965 1.00 0.00 C ATOM 1141 O TYR A 73 -6.588 -4.141 -5.962 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.509 -3.803 -2.597 1.00 0.00 C ATOM 1143 CG TYR A 73 -6.936 -2.474 -3.179 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -5.948 -1.662 -3.739 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -8.294 -2.156 -3.351 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -6.301 -0.554 -4.520 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -8.657 -1.077 -4.175 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.657 -0.298 -4.797 1.00 0.00 C ATOM 1149 OH TYR A 73 -7.986 0.636 -5.729 1.00 0.00 O ATOM 0 H TYR A 73 -5.877 -6.247 -2.325 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.806 -4.821 -3.869 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.083 -4.029 -1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.459 -3.773 -2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.906 -1.889 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -9.055 -2.738 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.535 0.101 -4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.700 -0.844 -4.332 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.858 0.417 -6.118 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.740 -4.964 -5.020 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.918 -4.942 -6.217 1.00 0.00 C ATOM 1161 C LEU A 74 -4.461 -5.704 -7.441 1.00 0.00 C ATOM 1162 O LEU A 74 -4.077 -5.366 -8.559 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.539 -5.478 -5.821 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.473 -4.375 -5.762 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.913 -3.145 -4.970 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.201 -4.864 -5.079 1.00 0.00 C ATOM 0 H LEU A 74 -4.237 -5.303 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.896 -3.909 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.608 -5.964 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.230 -6.240 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.306 -4.111 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.111 -2.407 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.802 -2.715 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.140 -3.435 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.532 -4.058 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.432 -5.175 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.208 -5.709 -5.633 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.372 -6.638 -7.204 1.00 0.00 N ATOM 1179 CA GLU A 75 -6.114 -7.380 -8.246 1.00 0.00 C ATOM 1180 C GLU A 75 -7.627 -7.156 -8.192 1.00 0.00 C ATOM 1181 O GLU A 75 -8.415 -7.892 -8.799 1.00 0.00 O ATOM 1182 CB GLU A 75 -5.715 -8.856 -8.205 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.766 -9.469 -6.810 1.00 0.00 C ATOM 1184 CD GLU A 75 -5.296 -10.910 -6.832 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -4.196 -11.167 -7.356 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -6.001 -11.812 -6.349 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.632 -6.918 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.828 -6.978 -9.218 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.376 -9.420 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.705 -8.961 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.141 -8.889 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.785 -9.421 -6.425 1.00 0.00 H new ATOM 1193 N THR A 76 -8.099 -6.109 -7.491 1.00 0.00 N ATOM 1194 CA THR A 76 -9.490 -5.652 -7.480 1.00 0.00 C ATOM 1195 C THR A 76 -9.592 -4.125 -7.270 1.00 0.00 C ATOM 1196 O THR A 76 -9.660 -3.618 -6.155 1.00 0.00 O ATOM 1197 CB THR A 76 -10.322 -6.400 -6.446 1.00 0.00 C ATOM 1198 OG1 THR A 76 -10.399 -7.720 -6.886 1.00 0.00 O ATOM 1199 CG2 THR A 76 -11.730 -5.842 -6.381 1.00 0.00 C ATOM 0 H THR A 76 -7.495 -5.541 -6.897 1.00 0.00 H new ATOM 0 HA THR A 76 -9.902 -5.878 -8.464 1.00 0.00 H new ATOM 0 HB THR A 76 -9.868 -6.309 -5.459 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.814 -7.841 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 76 -12.305 -6.392 -5.636 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.691 -4.788 -6.105 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.207 -5.944 -7.356 1.00 0.00 H new ATOM 1207 N LYS A 77 -9.715 -3.467 -8.425 1.00 0.00 N ATOM 1208 CA LYS A 77 -10.319 -2.144 -8.696 1.00 0.00 C ATOM 1209 C LYS A 77 -9.745 -0.864 -8.058 1.00 0.00 C ATOM 1210 O LYS A 77 -10.198 -0.486 -6.932 1.00 0.00 O ATOM 1211 CB LYS A 77 -11.823 -2.359 -8.820 1.00 0.00 C ATOM 1212 CG LYS A 77 -12.685 -2.439 -7.530 1.00 0.00 C ATOM 1213 CD LYS A 77 -13.986 -3.110 -7.982 1.00 0.00 C ATOM 1214 CE LYS A 77 -14.668 -3.825 -6.830 1.00 0.00 C ATOM 1215 NZ LYS A 77 -15.602 -2.978 -6.070 1.00 0.00 N ATOM 1216 OXT LYS A 77 -8.977 -0.244 -8.848 1.00 0.00 O1- ATOM 0 H LYS A 77 -9.361 -3.883 -9.286 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.940 -1.767 -9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.221 -1.549 -9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.978 -3.284 -9.376 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.187 -3.021 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.872 -1.449 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.659 -2.360 -8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.772 -3.822 -8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.210 -4.687 -7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.906 -4.208 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -16.028 -3.534 -5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.088 -2.168 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.351 -2.632 -6.703 1.00 0.00 H new TER 1230 LYS A 77