USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=27 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 44 THR OG1 : rot 115:sc= 0.759 USER MOD Set 1.2: A 57 THR OG1 : rot -159:sc= 0.785 USER MOD Set 1.3: A 73 TYR OH : rot -129:sc= 1.29 USER MOD Set 2.1: A 52 ASN : amide:sc= -0.373 X(o=-0.17,f=-0.17) USER MOD Set 2.2: A 54 TYR OH : rot -133:sc= 0.202 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 153:sc= 0.668 (180deg=0) USER MOD Set 3.2: A 45 TYR OH : rot 180:sc= 0.595 USER MOD Single : A 1 SER N :NH3+ 130:sc= 0.0338 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS :FLIP no HD1:sc= -0.796 F(o=-2.4!,f=-0.8) USER MOD Single : A 3 MET CE :methyl -174:sc= 0 (180deg=-0.027) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.831 F(o=-1.9!,f=-0.83) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.76 K(o=-0.76,f=-3.2!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0238 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -100:sc= -1.11 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0118 USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= 0.267 (180deg=-0.259) 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 81:sc= 1.95 USER MOD Single : A 39 CYS SG : rot -14:sc= -0.746 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.042 F(o=-1.5,f=-0.042) USER MOD Single : A 47 CYS SG : rot 43:sc= -1.24! 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= -0.468 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00456 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 107:sc= 1.23 USER MOD Single : A 77 LYS NZ :NH3+ -150:sc= -0.112 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.192 -8.841 16.452 1.00 0.00 N ATOM 2 CA SER A 1 3.240 -9.188 15.025 1.00 0.00 C ATOM 3 C SER A 1 3.103 -7.940 14.155 1.00 0.00 C ATOM 4 O SER A 1 2.396 -7.013 14.529 1.00 0.00 O ATOM 5 CB SER A 1 2.179 -10.238 14.705 1.00 0.00 C ATOM 6 OG SER A 1 2.518 -10.897 13.496 1.00 0.00 O ATOM 0 H1 SER A 1 2.503 -9.452 16.935 1.00 0.00 H new ATOM 0 H2 SER A 1 4.132 -8.978 16.874 1.00 0.00 H new ATOM 0 H3 SER A 1 2.907 -7.847 16.558 1.00 0.00 H new ATOM 0 HA SER A 1 4.213 -9.623 14.796 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.109 -10.960 15.518 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.201 -9.766 14.613 1.00 0.00 H new ATOM 0 HG SER A 1 1.839 -11.573 13.290 1.00 0.00 H new ATOM 13 N HIS A 2 3.762 -7.880 12.988 1.00 0.00 N ATOM 14 CA HIS A 2 3.887 -6.680 12.122 1.00 0.00 C ATOM 15 C HIS A 2 4.877 -6.986 10.987 1.00 0.00 C ATOM 16 O HIS A 2 4.466 -7.426 9.916 1.00 0.00 O ATOM 17 CB HIS A 2 4.214 -5.354 12.883 1.00 0.00 C ATOM 18 CG HIS A 2 5.037 -5.442 14.148 1.00 0.00 C ATOM 19 ND1 HIS A 2 6.390 -5.602 14.250 1.00 0.00 N flip ATOM 20 CD2 HIS A 2 4.552 -5.325 15.433 1.00 0.00 C flip ATOM 21 CE1 HIS A 2 6.710 -5.713 15.600 1.00 0.00 C flip ATOM 22 NE2 HIS A 2 5.572 -5.514 16.280 1.00 0.00 N flip ATOM 0 H HIS A 2 4.243 -8.692 12.600 1.00 0.00 H new ATOM 0 HA HIS A 2 2.904 -6.477 11.698 1.00 0.00 H new ATOM 0 HB2 HIS A 2 4.736 -4.693 12.191 1.00 0.00 H new ATOM 0 HB3 HIS A 2 3.269 -4.872 13.133 1.00 0.00 H new ATOM 0 HD2 HIS A 2 3.529 -5.117 15.709 1.00 0.00 H new ATOM 0 HE1 HIS A 2 7.684 -5.919 16.018 1.00 0.00 H new ATOM 0 HE2 HIS A 2 5.494 -5.507 17.297 1.00 0.00 H new ATOM 30 N MET A 3 6.186 -6.924 11.300 1.00 0.00 N ATOM 31 CA MET A 3 7.389 -7.242 10.490 1.00 0.00 C ATOM 32 C MET A 3 7.442 -8.661 9.904 1.00 0.00 C ATOM 33 O MET A 3 8.463 -9.027 9.334 1.00 0.00 O ATOM 34 CB MET A 3 8.625 -7.043 11.398 1.00 0.00 C ATOM 35 CG MET A 3 8.612 -8.013 12.604 1.00 0.00 C ATOM 36 SD MET A 3 10.224 -8.474 13.262 1.00 0.00 S ATOM 37 CE MET A 3 10.739 -9.629 11.967 1.00 0.00 C ATOM 0 H MET A 3 6.462 -6.615 12.232 1.00 0.00 H new ATOM 0 HA MET A 3 7.362 -6.575 9.628 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.533 -7.199 10.816 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.650 -6.015 11.758 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.031 -7.557 13.406 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.089 -8.922 12.308 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.677 -10.104 12.255 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.972 -10.392 11.834 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.878 -9.088 11.031 1.00 0.00 H new ATOM 47 N THR A 4 6.374 -9.441 10.047 1.00 0.00 N ATOM 48 CA THR A 4 6.188 -10.694 9.350 1.00 0.00 C ATOM 49 C THR A 4 5.247 -10.409 8.208 1.00 0.00 C ATOM 50 O THR A 4 5.703 -10.266 7.080 1.00 0.00 O ATOM 51 CB THR A 4 5.660 -11.754 10.299 1.00 0.00 C ATOM 52 OG1 THR A 4 6.490 -11.803 11.447 1.00 0.00 O ATOM 53 CG2 THR A 4 5.597 -13.126 9.641 1.00 0.00 C ATOM 0 H THR A 4 5.599 -9.206 10.668 1.00 0.00 H new ATOM 0 HA THR A 4 7.126 -11.091 8.961 1.00 0.00 H new ATOM 0 HB THR A 4 4.642 -11.484 10.581 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.153 -12.485 12.065 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.214 -13.855 10.355 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.936 -13.084 8.775 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.596 -13.422 9.321 1.00 0.00 H new ATOM 61 N ALA A 5 3.975 -10.139 8.521 1.00 0.00 N ATOM 62 CA ALA A 5 2.936 -9.888 7.542 1.00 0.00 C ATOM 63 C ALA A 5 3.285 -8.713 6.601 1.00 0.00 C ATOM 64 O ALA A 5 3.239 -8.887 5.392 1.00 0.00 O ATOM 65 CB ALA A 5 1.673 -9.588 8.349 1.00 0.00 C ATOM 0 H ALA A 5 3.642 -10.090 9.484 1.00 0.00 H new ATOM 0 HA ALA A 5 2.808 -10.750 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.845 -9.388 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 5 1.429 -10.446 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.843 -8.715 8.980 1.00 0.00 H new ATOM 71 N VAL A 6 3.612 -7.565 7.195 1.00 0.00 N ATOM 72 CA VAL A 6 3.886 -6.285 6.536 1.00 0.00 C ATOM 73 C VAL A 6 5.140 -6.391 5.685 1.00 0.00 C ATOM 74 O VAL A 6 5.172 -5.798 4.614 1.00 0.00 O ATOM 75 CB VAL A 6 4.030 -5.190 7.623 1.00 0.00 C ATOM 76 CG1 VAL A 6 4.527 -3.843 7.072 1.00 0.00 C ATOM 77 CG2 VAL A 6 2.711 -4.933 8.388 1.00 0.00 C ATOM 0 H VAL A 6 3.698 -7.498 8.209 1.00 0.00 H new ATOM 0 HA VAL A 6 3.064 -6.019 5.872 1.00 0.00 H new ATOM 0 HB VAL A 6 4.780 -5.594 8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.605 -3.123 7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.506 -3.977 6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.823 -3.473 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.870 -4.157 9.137 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.941 -4.609 7.687 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.391 -5.852 8.880 1.00 0.00 H new ATOM 87 N GLN A 7 6.130 -7.185 6.106 1.00 0.00 N ATOM 88 CA GLN A 7 7.385 -7.258 5.408 1.00 0.00 C ATOM 89 C GLN A 7 7.217 -8.119 4.179 1.00 0.00 C ATOM 90 O GLN A 7 7.378 -7.665 3.060 1.00 0.00 O ATOM 91 CB GLN A 7 8.458 -7.707 6.415 1.00 0.00 C ATOM 92 CG GLN A 7 8.895 -6.549 7.332 1.00 0.00 C ATOM 93 CD GLN A 7 9.798 -5.619 6.575 1.00 0.00 C ATOM 94 OE1 GLN A 7 9.216 -4.771 5.763 1.00 0.00 O flip ATOM 95 NE2 GLN A 7 11.007 -5.756 6.562 1.00 0.00 N flip ATOM 0 H GLN A 7 6.071 -7.782 6.931 1.00 0.00 H new ATOM 0 HA GLN A 7 7.725 -6.297 5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 7 8.069 -8.525 7.021 1.00 0.00 H new ATOM 0 HB3 GLN A 7 9.324 -8.093 5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 7 8.020 -6.008 7.693 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.412 -6.941 8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.452 -6.418 7.197 1.00 0.00 H new ATOM 0 HE22 GLN A 7 11.575 -5.209 5.916 1.00 0.00 H new ATOM 104 N ASP A 8 6.897 -9.366 4.432 1.00 0.00 N ATOM 105 CA ASP A 8 6.494 -10.397 3.454 1.00 0.00 C ATOM 106 C ASP A 8 5.523 -9.871 2.379 1.00 0.00 C ATOM 107 O ASP A 8 5.753 -10.080 1.181 1.00 0.00 O ATOM 108 CB ASP A 8 5.841 -11.553 4.253 1.00 0.00 C ATOM 109 CG ASP A 8 5.561 -12.796 3.383 1.00 0.00 C ATOM 110 OD1 ASP A 8 6.529 -13.246 2.715 1.00 0.00 O ATOM 111 OD2 ASP A 8 4.425 -13.345 3.491 1.00 0.00 O1- ATOM 0 H ASP A 8 6.906 -9.730 5.385 1.00 0.00 H new ATOM 0 HA ASP A 8 7.377 -10.730 2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.495 -11.833 5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.906 -11.203 4.691 1.00 0.00 H new ATOM 116 N PHE A 9 4.505 -9.097 2.787 1.00 0.00 N ATOM 117 CA PHE A 9 3.625 -8.411 1.851 1.00 0.00 C ATOM 118 C PHE A 9 4.412 -7.406 0.981 1.00 0.00 C ATOM 119 O PHE A 9 4.302 -7.438 -0.248 1.00 0.00 O ATOM 120 CB PHE A 9 2.526 -7.663 2.622 1.00 0.00 C ATOM 121 CG PHE A 9 1.696 -6.861 1.641 1.00 0.00 C ATOM 122 CD1 PHE A 9 0.774 -7.497 0.793 1.00 0.00 C ATOM 123 CD2 PHE A 9 2.041 -5.519 1.415 1.00 0.00 C ATOM 124 CE1 PHE A 9 0.223 -6.786 -0.289 1.00 0.00 C ATOM 125 CE2 PHE A 9 1.517 -4.835 0.314 1.00 0.00 C ATOM 126 CZ PHE A 9 0.590 -5.455 -0.532 1.00 0.00 C ATOM 0 H PHE A 9 4.277 -8.935 3.768 1.00 0.00 H new ATOM 0 HA PHE A 9 3.177 -9.160 1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.895 -8.371 3.159 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.971 -7.003 3.367 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.490 -8.524 0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.713 -5.014 2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.490 -7.271 -0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.830 -3.821 0.115 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.162 -4.914 -1.363 1.00 0.00 H new ATOM 136 N VAL A 10 5.134 -6.480 1.626 1.00 0.00 N ATOM 137 CA VAL A 10 5.827 -5.376 0.926 1.00 0.00 C ATOM 138 C VAL A 10 6.805 -5.882 -0.144 1.00 0.00 C ATOM 139 O VAL A 10 6.750 -5.400 -1.274 1.00 0.00 O ATOM 140 CB VAL A 10 6.515 -4.415 1.925 1.00 0.00 C ATOM 141 CG1 VAL A 10 7.579 -3.494 1.293 1.00 0.00 C ATOM 142 CG2 VAL A 10 5.477 -3.494 2.591 1.00 0.00 C ATOM 0 H VAL A 10 5.257 -6.469 2.638 1.00 0.00 H new ATOM 0 HA VAL A 10 5.061 -4.808 0.399 1.00 0.00 H new ATOM 0 HB VAL A 10 7.008 -5.074 2.640 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.010 -2.854 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.365 -4.101 0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.115 -2.875 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.979 -2.825 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.970 -2.905 1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.746 -4.098 3.128 1.00 0.00 H new ATOM 152 N VAL A 11 7.684 -6.837 0.187 1.00 0.00 N ATOM 153 CA VAL A 11 8.661 -7.412 -0.768 1.00 0.00 C ATOM 154 C VAL A 11 8.099 -8.165 -1.965 1.00 0.00 C ATOM 155 O VAL A 11 8.812 -8.390 -2.945 1.00 0.00 O ATOM 156 CB VAL A 11 9.910 -8.094 -0.169 1.00 0.00 C ATOM 157 CG1 VAL A 11 11.161 -7.238 -0.417 1.00 0.00 C ATOM 158 CG2 VAL A 11 9.825 -8.219 1.348 1.00 0.00 C ATOM 0 H VAL A 11 7.744 -7.238 1.123 1.00 0.00 H new ATOM 0 HA VAL A 11 9.035 -6.478 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 11 9.964 -9.073 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.032 -7.734 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.308 -7.110 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.032 -6.262 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.725 -8.705 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.736 -7.227 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.953 -8.815 1.616 1.00 0.00 H new ATOM 168 N ASP A 12 6.839 -8.578 -1.898 1.00 0.00 N ATOM 169 CA ASP A 12 6.123 -9.043 -3.081 1.00 0.00 C ATOM 170 C ASP A 12 6.077 -7.949 -4.182 1.00 0.00 C ATOM 171 O ASP A 12 6.619 -8.170 -5.256 1.00 0.00 O ATOM 172 CB ASP A 12 4.731 -9.547 -2.656 1.00 0.00 C ATOM 173 CG ASP A 12 4.167 -10.686 -3.512 1.00 0.00 C ATOM 174 OD1 ASP A 12 3.033 -11.127 -3.231 1.00 0.00 O ATOM 175 OD2 ASP A 12 4.858 -11.205 -4.424 1.00 0.00 O1- ATOM 0 H ASP A 12 6.292 -8.601 -1.038 1.00 0.00 H new ATOM 0 HA ASP A 12 6.655 -9.879 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.783 -9.882 -1.620 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.033 -8.710 -2.686 1.00 0.00 H new ATOM 180 N ILE A 13 5.635 -6.722 -3.872 1.00 0.00 N ATOM 181 CA ILE A 13 5.681 -5.546 -4.784 1.00 0.00 C ATOM 182 C ILE A 13 7.151 -5.226 -5.054 1.00 0.00 C ATOM 183 O ILE A 13 7.508 -4.960 -6.196 1.00 0.00 O ATOM 184 CB ILE A 13 4.957 -4.343 -4.160 1.00 0.00 C ATOM 185 CG1 ILE A 13 3.427 -4.522 -4.022 1.00 0.00 C ATOM 186 CG2 ILE A 13 5.208 -3.136 -5.083 1.00 0.00 C ATOM 187 CD1 ILE A 13 2.932 -5.638 -3.095 1.00 0.00 C ATOM 0 H ILE A 13 5.225 -6.504 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 13 5.170 -5.771 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 13 5.348 -4.216 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.007 -3.580 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.017 -4.702 -5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.709 -2.257 -4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.279 -2.947 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.813 -3.349 -6.076 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.842 -5.652 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.306 -6.598 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.296 -5.459 -2.083 1.00 0.00 H new ATOM 199 N LEU A 14 7.984 -5.209 -4.009 1.00 0.00 N ATOM 200 CA LEU A 14 9.273 -4.542 -4.055 1.00 0.00 C ATOM 201 C LEU A 14 10.335 -5.263 -4.910 1.00 0.00 C ATOM 202 O LEU A 14 11.007 -4.625 -5.719 1.00 0.00 O ATOM 203 CB LEU A 14 9.777 -4.339 -2.607 1.00 0.00 C ATOM 204 CG LEU A 14 10.276 -2.911 -2.326 1.00 0.00 C ATOM 205 CD1 LEU A 14 11.063 -2.887 -1.011 1.00 0.00 C ATOM 206 CD2 LEU A 14 11.137 -2.381 -3.477 1.00 0.00 C ATOM 0 H LEU A 14 7.778 -5.657 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 14 9.120 -3.584 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.971 -4.577 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.585 -5.043 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 14 9.409 -2.257 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.415 -1.874 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.417 -3.211 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.918 -3.559 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.472 -1.370 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.003 -3.029 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.549 -2.366 -4.395 1.00 0.00 H new ATOM 218 N LEU A 15 10.515 -6.572 -4.697 1.00 0.00 N ATOM 219 CA LEU A 15 11.515 -7.373 -5.416 1.00 0.00 C ATOM 220 C LEU A 15 10.876 -8.261 -6.463 1.00 0.00 C ATOM 221 O LEU A 15 11.522 -8.518 -7.478 1.00 0.00 O ATOM 222 CB LEU A 15 12.301 -8.279 -4.448 1.00 0.00 C ATOM 223 CG LEU A 15 13.610 -7.688 -3.876 1.00 0.00 C ATOM 224 CD1 LEU A 15 13.549 -6.230 -3.393 1.00 0.00 C ATOM 225 CD2 LEU A 15 14.132 -8.603 -2.762 1.00 0.00 C ATOM 0 H LEU A 15 9.971 -7.107 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 15 12.185 -6.661 -5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.648 -8.538 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.541 -9.208 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 15 14.298 -7.650 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.526 -5.931 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.268 -5.583 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.809 -6.141 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.055 -8.191 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.386 -8.674 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.326 -9.596 -3.168 1.00 0.00 H new ATOM 237 N ASN A 16 9.692 -8.816 -6.181 1.00 0.00 N ATOM 238 CA ASN A 16 9.030 -9.700 -7.122 1.00 0.00 C ATOM 239 C ASN A 16 8.130 -8.944 -8.140 1.00 0.00 C ATOM 240 O ASN A 16 7.885 -9.483 -9.213 1.00 0.00 O ATOM 241 CB ASN A 16 8.255 -10.796 -6.367 1.00 0.00 C ATOM 242 CG ASN A 16 9.174 -11.777 -5.619 1.00 0.00 C ATOM 243 OD1 ASN A 16 9.627 -12.752 -6.200 1.00 0.00 O ATOM 244 ND2 ASN A 16 9.465 -11.482 -4.369 1.00 0.00 N ATOM 0 H ASN A 16 9.182 -8.664 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 16 9.806 -10.176 -7.722 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.576 -10.328 -5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.640 -11.351 -7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.097 -12.081 -3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.058 -10.655 -3.932 1.00 0.00 H new ATOM 251 N GLY A 17 7.715 -7.728 -7.810 1.00 0.00 N ATOM 252 CA GLY A 17 6.706 -6.959 -8.534 1.00 0.00 C ATOM 253 C GLY A 17 5.283 -7.192 -8.065 1.00 0.00 C ATOM 254 O GLY A 17 4.866 -8.209 -7.498 1.00 0.00 O ATOM 0 H GLY A 17 8.085 -7.230 -7.000 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.938 -5.898 -8.438 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.771 -7.205 -9.594 1.00 0.00 H new ATOM 258 N ALA A 18 4.463 -6.187 -8.339 1.00 0.00 N ATOM 259 CA ALA A 18 3.013 -6.221 -8.163 1.00 0.00 C ATOM 260 C ALA A 18 2.273 -6.990 -9.296 1.00 0.00 C ATOM 261 O ALA A 18 2.895 -7.504 -10.222 1.00 0.00 O ATOM 262 CB ALA A 18 2.542 -4.751 -8.059 1.00 0.00 C ATOM 0 H ALA A 18 4.797 -5.294 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 18 2.767 -6.776 -7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.460 -4.724 -7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.024 -4.274 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.809 -4.218 -8.972 1.00 0.00 H new ATOM 268 N ARG A 19 0.935 -6.930 -9.237 1.00 0.00 N ATOM 269 CA ARG A 19 0.077 -6.668 -10.398 1.00 0.00 C ATOM 270 C ARG A 19 0.650 -5.617 -11.362 1.00 0.00 C ATOM 271 O ARG A 19 1.766 -5.132 -11.285 1.00 0.00 O ATOM 272 CB ARG A 19 -1.311 -6.304 -9.835 1.00 0.00 C ATOM 273 CG ARG A 19 -2.278 -7.456 -9.615 1.00 0.00 C ATOM 274 CD ARG A 19 -1.743 -8.752 -9.013 1.00 0.00 C ATOM 275 NE ARG A 19 -1.103 -9.568 -10.060 1.00 0.00 N ATOM 276 CZ ARG A 19 -1.709 -10.434 -10.881 1.00 0.00 C ATOM 277 NH1 ARG A 19 -2.977 -10.787 -10.743 1.00 0.00 N ATOM 278 NH2 ARG A 19 -1.085 -10.826 -11.980 1.00 0.00 N ATOM 0 H ARG A 19 0.413 -7.064 -8.371 1.00 0.00 H new ATOM 0 HA ARG A 19 0.009 -7.553 -11.030 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.169 -5.791 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.778 -5.591 -10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.080 -7.097 -8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.728 -7.699 -10.577 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.024 -8.527 -8.225 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.557 -9.311 -8.551 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.095 -9.462 -10.170 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.536 -10.395 -9.985 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.395 -11.451 -11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.154 -10.469 -12.193 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.535 -11.486 -12.614 1.00 0.00 H new ATOM 292 N ASP A 20 -0.208 -5.213 -12.271 1.00 0.00 N ATOM 293 CA ASP A 20 -0.133 -4.150 -13.276 1.00 0.00 C ATOM 294 C ASP A 20 0.290 -2.742 -12.805 1.00 0.00 C ATOM 295 O ASP A 20 0.230 -1.768 -13.566 1.00 0.00 O ATOM 296 CB ASP A 20 -1.563 -4.181 -13.850 1.00 0.00 C ATOM 297 CG ASP A 20 -1.694 -5.382 -14.798 1.00 0.00 C ATOM 298 OD1 ASP A 20 -2.006 -6.493 -14.300 1.00 0.00 O ATOM 299 OD2 ASP A 20 -1.298 -5.209 -15.977 1.00 0.00 O1- ATOM 0 H ASP A 20 -1.109 -5.686 -12.340 1.00 0.00 H new ATOM 0 HA ASP A 20 0.674 -4.340 -13.984 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.291 -4.257 -13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.775 -3.255 -14.384 1.00 0.00 H new ATOM 304 N TRP A 21 0.649 -2.610 -11.522 1.00 0.00 N ATOM 305 CA TRP A 21 1.168 -1.391 -10.932 1.00 0.00 C ATOM 306 C TRP A 21 2.631 -1.131 -11.323 1.00 0.00 C ATOM 307 O TRP A 21 3.382 -2.037 -11.673 1.00 0.00 O ATOM 308 CB TRP A 21 0.916 -1.414 -9.407 1.00 0.00 C ATOM 309 CG TRP A 21 -0.519 -1.635 -8.958 1.00 0.00 C ATOM 310 CD1 TRP A 21 -1.455 -2.469 -9.488 1.00 0.00 C ATOM 311 CD2 TRP A 21 -1.260 -0.851 -7.972 1.00 0.00 C ATOM 312 NE1 TRP A 21 -2.691 -2.241 -8.925 1.00 0.00 N ATOM 313 CE2 TRP A 21 -2.636 -1.230 -8.000 1.00 0.00 C ATOM 314 CE3 TRP A 21 -0.904 0.199 -7.106 1.00 0.00 C ATOM 315 CZ2 TRP A 21 -3.601 -0.617 -7.200 1.00 0.00 C ATOM 316 CZ3 TRP A 21 -1.869 0.842 -6.314 1.00 0.00 C ATOM 317 CH2 TRP A 21 -3.195 0.397 -6.324 1.00 0.00 C ATOM 0 H TRP A 21 0.580 -3.378 -10.854 1.00 0.00 H new ATOM 0 HA TRP A 21 0.630 -0.535 -11.338 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.534 -2.199 -8.971 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.262 -0.468 -8.990 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.255 -3.210 -10.248 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.537 -2.757 -9.165 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.127 0.515 -7.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.637 -0.918 -7.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.587 1.682 -5.696 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.913 0.840 -5.649 1.00 0.00 H new ATOM 328 N ASP A 22 3.013 0.129 -11.211 1.00 0.00 N ATOM 329 CA ASP A 22 4.385 0.564 -11.365 1.00 0.00 C ATOM 330 C ASP A 22 4.932 0.670 -9.954 1.00 0.00 C ATOM 331 O ASP A 22 4.220 0.975 -9.016 1.00 0.00 O ATOM 332 CB ASP A 22 4.457 1.823 -12.228 1.00 0.00 C ATOM 333 CG ASP A 22 5.870 2.029 -12.768 1.00 0.00 C ATOM 334 OD1 ASP A 22 6.034 2.251 -13.989 1.00 0.00 O ATOM 335 OD2 ASP A 22 6.835 1.932 -11.996 1.00 0.00 O1- ATOM 0 H ASP A 22 2.365 0.890 -11.007 1.00 0.00 H new ATOM 0 HA ASP A 22 5.018 -0.131 -11.917 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.754 1.742 -13.057 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.157 2.690 -11.640 1.00 0.00 H new ATOM 340 N VAL A 23 6.218 0.543 -9.743 1.00 0.00 N ATOM 341 CA VAL A 23 6.847 0.276 -8.464 1.00 0.00 C ATOM 342 C VAL A 23 7.473 1.588 -8.146 1.00 0.00 C ATOM 343 O VAL A 23 8.511 2.039 -8.625 1.00 0.00 O ATOM 344 CB VAL A 23 7.855 -0.901 -8.451 1.00 0.00 C ATOM 345 CG1 VAL A 23 8.596 -1.005 -7.097 1.00 0.00 C ATOM 346 CG2 VAL A 23 7.126 -2.220 -8.720 1.00 0.00 C ATOM 0 H VAL A 23 6.897 0.627 -10.500 1.00 0.00 H new ATOM 0 HA VAL A 23 6.129 -0.069 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 23 8.589 -0.709 -9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.294 -1.842 -7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.145 -0.082 -6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.872 -1.165 -6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.843 -3.041 -8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.374 -2.384 -7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.641 -2.175 -9.695 1.00 0.00 H new ATOM 356 N LEU A 24 6.755 2.226 -7.259 1.00 0.00 N ATOM 357 CA LEU A 24 6.917 3.601 -6.887 1.00 0.00 C ATOM 358 C LEU A 24 6.985 3.681 -5.368 1.00 0.00 C ATOM 359 O LEU A 24 5.995 3.650 -4.628 1.00 0.00 O ATOM 360 CB LEU A 24 5.735 4.410 -7.397 1.00 0.00 C ATOM 361 CG LEU A 24 5.773 5.122 -8.758 1.00 0.00 C ATOM 362 CD1 LEU A 24 6.842 6.217 -8.730 1.00 0.00 C ATOM 363 CD2 LEU A 24 5.982 4.174 -9.932 1.00 0.00 C ATOM 0 H LEU A 24 5.998 1.770 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 24 7.831 4.006 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.877 3.738 -7.415 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.527 5.173 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 24 4.792 5.570 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.870 6.723 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.603 6.939 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.815 5.770 -8.526 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.998 4.744 -10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.930 3.649 -9.811 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.168 3.450 -9.965 1.00 0.00 H new ATOM 375 N GLN A 25 8.216 3.842 -4.914 1.00 0.00 N ATOM 376 CA GLN A 25 8.496 4.333 -3.566 1.00 0.00 C ATOM 377 C GLN A 25 8.575 5.861 -3.582 1.00 0.00 C ATOM 378 O GLN A 25 9.619 6.479 -3.796 1.00 0.00 O ATOM 379 CB GLN A 25 9.726 3.653 -2.960 1.00 0.00 C ATOM 380 CG GLN A 25 9.344 2.254 -2.471 1.00 0.00 C ATOM 381 CD GLN A 25 10.128 1.186 -3.197 1.00 0.00 C ATOM 382 OE1 GLN A 25 11.222 0.849 -2.805 1.00 0.00 O ATOM 383 NE2 GLN A 25 9.586 0.637 -4.257 1.00 0.00 N ATOM 0 H GLN A 25 9.051 3.638 -5.464 1.00 0.00 H new ATOM 0 HA GLN A 25 7.675 4.063 -2.902 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.521 3.586 -3.703 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.112 4.247 -2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.528 2.178 -1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.277 2.092 -2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.663 0.936 -4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.088 -0.089 -4.768 1.00 0.00 H new ATOM 392 N THR A 26 7.396 6.438 -3.392 1.00 0.00 N ATOM 393 CA THR A 26 7.158 7.838 -3.068 1.00 0.00 C ATOM 394 C THR A 26 6.419 7.862 -1.710 1.00 0.00 C ATOM 395 O THR A 26 6.337 6.841 -1.020 1.00 0.00 O ATOM 396 CB THR A 26 6.474 8.556 -4.228 1.00 0.00 C ATOM 397 OG1 THR A 26 6.292 9.901 -3.889 1.00 0.00 O ATOM 398 CG2 THR A 26 5.165 7.947 -4.730 1.00 0.00 C ATOM 0 H THR A 26 6.527 5.908 -3.464 1.00 0.00 H new ATOM 0 HA THR A 26 8.077 8.410 -2.942 1.00 0.00 H new ATOM 0 HB THR A 26 7.150 8.440 -5.075 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.854 10.369 -4.631 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.777 8.546 -5.554 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.346 6.929 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.437 7.931 -3.919 1.00 0.00 H new ATOM 406 N THR A 27 6.028 9.035 -1.228 1.00 0.00 N ATOM 407 CA THR A 27 5.296 9.169 0.042 1.00 0.00 C ATOM 408 C THR A 27 4.151 10.070 -0.221 1.00 0.00 C ATOM 409 O THR A 27 4.311 11.075 -0.888 1.00 0.00 O ATOM 410 CB THR A 27 6.134 9.722 1.219 1.00 0.00 C ATOM 411 OG1 THR A 27 6.676 10.981 0.828 1.00 0.00 O ATOM 412 CG2 THR A 27 7.275 8.785 1.642 1.00 0.00 C ATOM 0 H THR A 27 6.205 9.922 -1.699 1.00 0.00 H new ATOM 0 HA THR A 27 4.993 8.172 0.361 1.00 0.00 H new ATOM 0 HB THR A 27 5.474 9.818 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.210 11.350 1.562 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.824 9.231 2.471 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.861 7.826 1.955 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.951 8.632 0.801 1.00 0.00 H new ATOM 420 N CYS A 28 3.032 9.680 0.339 1.00 0.00 N ATOM 421 CA CYS A 28 1.796 10.428 0.350 1.00 0.00 C ATOM 422 C CYS A 28 1.579 11.048 1.723 1.00 0.00 C ATOM 423 O CYS A 28 2.168 10.588 2.663 1.00 0.00 O ATOM 424 CB CYS A 28 0.684 9.472 -0.159 1.00 0.00 C ATOM 425 SG CYS A 28 -0.977 9.884 0.466 1.00 0.00 S ATOM 0 H CYS A 28 2.954 8.786 0.825 1.00 0.00 H new ATOM 0 HA CYS A 28 1.800 11.287 -0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.669 9.494 -1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.931 8.452 0.136 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.274 9.099 1.458 1.00 0.00 H new ATOM 431 N THR A 29 0.779 12.115 1.745 1.00 0.00 N ATOM 432 CA THR A 29 0.250 12.769 2.958 1.00 0.00 C ATOM 433 C THR A 29 -1.264 12.891 2.891 1.00 0.00 C ATOM 434 O THR A 29 -1.790 13.596 2.048 1.00 0.00 O ATOM 435 CB THR A 29 0.927 14.073 3.228 1.00 0.00 C ATOM 436 OG1 THR A 29 2.257 14.152 2.742 1.00 0.00 O ATOM 437 CG2 THR A 29 0.727 14.613 4.630 1.00 0.00 C ATOM 0 H THR A 29 0.465 12.571 0.888 1.00 0.00 H new ATOM 0 HA THR A 29 0.480 12.133 3.813 1.00 0.00 H new ATOM 0 HB THR A 29 0.382 14.785 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.631 15.032 2.955 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.254 15.561 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.337 14.767 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.119 13.899 5.354 1.00 0.00 H new ATOM 445 N VAL A 30 -1.925 12.185 3.816 1.00 0.00 N ATOM 446 CA VAL A 30 -3.385 12.204 4.009 1.00 0.00 C ATOM 447 C VAL A 30 -3.795 11.987 5.485 1.00 0.00 C ATOM 448 O VAL A 30 -3.098 11.315 6.224 1.00 0.00 O ATOM 449 CB VAL A 30 -4.074 11.206 3.024 1.00 0.00 C ATOM 450 CG1 VAL A 30 -5.576 11.043 3.295 1.00 0.00 C ATOM 451 CG2 VAL A 30 -4.003 11.679 1.555 1.00 0.00 C ATOM 0 H VAL A 30 -1.448 11.566 4.471 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.745 13.204 3.766 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.529 10.276 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.000 10.338 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.724 10.667 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.071 12.008 3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.497 10.949 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.502 12.643 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.960 11.779 1.255 1.00 0.00 H new ATOM 461 N ASP A 31 -4.896 12.609 5.923 1.00 0.00 N ATOM 462 CA ASP A 31 -5.488 12.443 7.251 1.00 0.00 C ATOM 463 C ASP A 31 -4.665 13.060 8.390 1.00 0.00 C ATOM 464 O ASP A 31 -4.766 12.703 9.558 1.00 0.00 O ATOM 465 CB ASP A 31 -5.743 10.974 7.595 1.00 0.00 C ATOM 466 CG ASP A 31 -7.121 10.671 8.211 1.00 0.00 C ATOM 467 OD1 ASP A 31 -7.318 9.522 8.648 1.00 0.00 O ATOM 468 OD2 ASP A 31 -8.043 11.505 8.228 1.00 0.00 O1- ATOM 0 H ASP A 31 -5.416 13.265 5.340 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.431 12.985 7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.631 10.381 6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.972 10.642 8.290 1.00 0.00 H new ATOM 473 N ARG A 32 -3.790 13.993 8.011 1.00 0.00 N ATOM 474 CA ARG A 32 -2.686 14.586 8.831 1.00 0.00 C ATOM 475 C ARG A 32 -1.509 13.614 9.025 1.00 0.00 C ATOM 476 O ARG A 32 -0.641 13.831 9.870 1.00 0.00 O ATOM 477 CB ARG A 32 -3.132 15.085 10.238 1.00 0.00 C ATOM 478 CG ARG A 32 -4.284 16.104 10.261 1.00 0.00 C ATOM 479 CD ARG A 32 -4.688 16.368 11.734 1.00 0.00 C ATOM 480 NE ARG A 32 -5.200 17.726 11.978 1.00 0.00 N ATOM 481 CZ ARG A 32 -6.174 18.107 12.800 1.00 0.00 C ATOM 482 NH1 ARG A 32 -6.864 17.270 13.553 1.00 0.00 N ATOM 483 NH2 ARG A 32 -6.429 19.395 12.891 1.00 0.00 N ATOM 0 H ARG A 32 -3.819 14.391 7.072 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.371 15.449 8.244 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.428 14.220 10.831 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.269 15.531 10.733 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.976 17.033 9.782 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.136 15.723 9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.450 15.645 12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.823 16.196 12.374 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.749 18.472 11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.661 16.271 13.523 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.600 17.623 14.164 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.887 20.062 12.342 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.168 19.726 13.511 1.00 0.00 H new ATOM 497 N LYS A 33 -1.482 12.515 8.293 1.00 0.00 N ATOM 498 CA LYS A 33 -0.483 11.452 8.416 1.00 0.00 C ATOM 499 C LYS A 33 0.231 11.352 7.066 1.00 0.00 C ATOM 500 O LYS A 33 -0.364 11.628 6.028 1.00 0.00 O ATOM 501 CB LYS A 33 -1.171 10.136 8.805 1.00 0.00 C ATOM 502 CG LYS A 33 -0.271 8.941 8.613 1.00 0.00 C ATOM 503 CD LYS A 33 -0.755 7.978 9.675 1.00 0.00 C ATOM 504 CE LYS A 33 0.088 6.778 9.891 1.00 0.00 C ATOM 505 NZ LYS A 33 1.549 6.998 9.965 1.00 0.00 N ATOM 0 H LYS A 33 -2.176 12.325 7.570 1.00 0.00 H new ATOM 0 HA LYS A 33 0.245 11.668 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.486 10.187 9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.073 10.009 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.367 8.520 7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.779 9.200 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.834 8.518 10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.760 7.650 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.232 6.300 10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.110 6.073 9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.025 6.407 9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.759 8.000 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.891 6.742 10.913 1.00 0.00 H new ATOM 519 N VAL A 34 1.481 10.927 7.062 1.00 0.00 N ATOM 520 CA VAL A 34 2.192 10.549 5.838 1.00 0.00 C ATOM 521 C VAL A 34 2.200 9.023 5.809 1.00 0.00 C ATOM 522 O VAL A 34 2.306 8.391 6.867 1.00 0.00 O ATOM 523 CB VAL A 34 3.594 11.147 5.837 1.00 0.00 C ATOM 524 CG1 VAL A 34 4.609 10.569 4.846 1.00 0.00 C ATOM 525 CG2 VAL A 34 3.611 12.681 5.751 1.00 0.00 C ATOM 0 H VAL A 34 2.041 10.831 7.909 1.00 0.00 H new ATOM 0 HA VAL A 34 1.708 10.934 4.940 1.00 0.00 H new ATOM 0 HB VAL A 34 3.939 10.827 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.561 11.088 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.749 9.507 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.240 10.700 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.642 13.034 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.122 12.999 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.081 13.099 6.607 1.00 0.00 H new ATOM 535 N TYR A 35 2.110 8.480 4.597 1.00 0.00 N ATOM 536 CA TYR A 35 2.296 7.086 4.296 1.00 0.00 C ATOM 537 C TYR A 35 3.346 6.936 3.211 1.00 0.00 C ATOM 538 O TYR A 35 3.465 7.770 2.317 1.00 0.00 O ATOM 539 CB TYR A 35 0.999 6.497 3.793 1.00 0.00 C ATOM 540 CG TYR A 35 -0.132 6.773 4.778 1.00 0.00 C ATOM 541 CD1 TYR A 35 -0.379 5.873 5.798 1.00 0.00 C ATOM 542 CD2 TYR A 35 -0.875 7.954 4.655 1.00 0.00 C ATOM 543 CE1 TYR A 35 -1.487 6.109 6.651 1.00 0.00 C ATOM 544 CE2 TYR A 35 -1.987 8.194 5.486 1.00 0.00 C ATOM 545 CZ TYR A 35 -2.327 7.243 6.453 1.00 0.00 C ATOM 546 OH TYR A 35 -3.400 7.475 7.307 1.00 0.00 O ATOM 0 H TYR A 35 1.895 9.036 3.769 1.00 0.00 H new ATOM 0 HA TYR A 35 2.615 6.568 5.200 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.753 6.922 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.112 5.422 3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.256 5.011 5.942 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.592 8.688 3.915 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.696 5.423 7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.568 9.098 5.378 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.867 8.291 7.031 1.00 0.00 H new ATOM 556 N LYS A 36 4.064 5.823 3.231 1.00 0.00 N ATOM 557 CA LYS A 36 5.064 5.532 2.231 1.00 0.00 C ATOM 558 C LYS A 36 4.570 4.491 1.234 1.00 0.00 C ATOM 559 O LYS A 36 4.060 3.444 1.635 1.00 0.00 O ATOM 560 CB LYS A 36 6.361 5.119 2.901 1.00 0.00 C ATOM 561 CG LYS A 36 6.641 5.654 4.315 1.00 0.00 C ATOM 562 CD LYS A 36 8.053 5.280 4.805 1.00 0.00 C ATOM 563 CE LYS A 36 8.212 3.760 5.014 1.00 0.00 C ATOM 564 NZ LYS A 36 9.628 3.390 5.281 1.00 0.00 N ATOM 0 H LYS A 36 3.965 5.100 3.944 1.00 0.00 H new ATOM 0 HA LYS A 36 5.258 6.437 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.383 4.030 2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.184 5.429 2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.531 6.738 4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.900 5.255 5.007 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.791 5.625 4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.260 5.798 5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.588 3.439 5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.858 3.231 4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.698 2.361 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.219 3.674 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.958 3.876 6.139 1.00 0.00 H new ATOM 578 N THR A 37 4.630 4.802 -0.059 1.00 0.00 N ATOM 579 CA THR A 37 4.035 4.037 -1.144 1.00 0.00 C ATOM 580 C THR A 37 4.985 2.925 -1.550 1.00 0.00 C ATOM 581 O THR A 37 6.184 3.005 -1.314 1.00 0.00 O ATOM 582 CB THR A 37 3.621 4.935 -2.322 1.00 0.00 C ATOM 583 OG1 THR A 37 4.740 5.287 -3.089 1.00 0.00 O ATOM 584 CG2 THR A 37 3.004 6.271 -1.906 1.00 0.00 C ATOM 0 H THR A 37 5.118 5.634 -0.390 1.00 0.00 H new ATOM 0 HA THR A 37 3.108 3.581 -0.796 1.00 0.00 H new ATOM 0 HB THR A 37 2.888 4.338 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.963 4.553 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.740 6.843 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.108 6.089 -1.313 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.723 6.835 -1.312 1.00 0.00 H new ATOM 592 N ILE A 38 4.447 1.901 -2.185 1.00 0.00 N ATOM 593 CA ILE A 38 5.242 0.853 -2.838 1.00 0.00 C ATOM 594 C ILE A 38 5.058 0.863 -4.325 1.00 0.00 C ATOM 595 O ILE A 38 5.985 0.634 -5.088 1.00 0.00 O ATOM 596 CB ILE A 38 4.822 -0.559 -2.397 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.195 -0.565 -0.984 1.00 0.00 C ATOM 598 CG2 ILE A 38 6.156 -1.354 -2.394 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.912 -1.981 -0.465 1.00 0.00 C ATOM 0 H ILE A 38 3.440 1.763 -2.268 1.00 0.00 H new ATOM 0 HA ILE A 38 6.271 1.070 -2.551 1.00 0.00 H new ATOM 0 HB ILE A 38 4.062 -0.980 -3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.866 -0.057 -0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.265 0.003 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.965 -2.383 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.587 -1.345 -3.395 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.853 -0.893 -1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.473 -1.922 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.218 -2.484 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.844 -2.544 -0.418 1.00 0.00 H new ATOM 611 N CYS A 39 3.817 1.097 -4.704 1.00 0.00 N ATOM 612 CA CYS A 39 3.374 0.924 -6.053 1.00 0.00 C ATOM 613 C CYS A 39 2.238 1.837 -6.326 1.00 0.00 C ATOM 614 O CYS A 39 1.357 2.055 -5.492 1.00 0.00 O ATOM 615 CB CYS A 39 3.020 -0.533 -6.306 1.00 0.00 C ATOM 616 SG CYS A 39 2.044 -1.358 -5.024 1.00 0.00 S ATOM 0 H CYS A 39 3.087 1.416 -4.067 1.00 0.00 H new ATOM 0 HA CYS A 39 4.177 1.182 -6.743 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.470 -0.593 -7.245 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.946 -1.091 -6.442 1.00 0.00 H new ATOM 0 HG CYS A 39 2.053 -0.638 -3.941 1.00 0.00 H new ATOM 622 N LYS A 40 2.270 2.366 -7.539 1.00 0.00 N ATOM 623 CA LYS A 40 1.248 3.200 -8.067 1.00 0.00 C ATOM 624 C LYS A 40 0.536 2.590 -9.263 1.00 0.00 C ATOM 625 O LYS A 40 1.179 2.074 -10.176 1.00 0.00 O ATOM 626 CB LYS A 40 1.974 4.502 -8.433 1.00 0.00 C ATOM 627 CG LYS A 40 1.159 5.699 -8.903 1.00 0.00 C ATOM 628 CD LYS A 40 1.219 5.890 -10.409 1.00 0.00 C ATOM 629 CE LYS A 40 0.583 7.211 -10.875 1.00 0.00 C ATOM 630 NZ LYS A 40 1.454 8.394 -10.658 1.00 0.00 N ATOM 0 H LYS A 40 3.040 2.210 -8.189 1.00 0.00 H new ATOM 0 HA LYS A 40 0.447 3.355 -7.344 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.545 4.816 -7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.694 4.267 -9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.121 5.570 -8.598 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.526 6.600 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.260 5.861 -10.732 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.711 5.057 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.343 7.136 -11.936 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.358 7.360 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.220 9.130 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.303 8.765 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.450 8.117 -10.769 1.00 0.00 H new ATOM 644 N ARG A 41 -0.773 2.757 -9.280 1.00 0.00 N ATOM 645 CA ARG A 41 -1.550 2.516 -10.468 1.00 0.00 C ATOM 646 C ARG A 41 -2.621 3.568 -10.514 1.00 0.00 C ATOM 647 O ARG A 41 -3.490 3.689 -9.664 1.00 0.00 O ATOM 648 CB ARG A 41 -2.142 1.121 -10.471 1.00 0.00 C ATOM 649 CG ARG A 41 -2.782 0.852 -11.825 1.00 0.00 C ATOM 650 CD ARG A 41 -4.132 0.187 -11.575 1.00 0.00 C ATOM 651 NE ARG A 41 -4.876 0.026 -12.822 1.00 0.00 N ATOM 652 CZ ARG A 41 -6.132 -0.377 -12.917 1.00 0.00 C ATOM 653 NH1 ARG A 41 -6.938 -0.478 -11.870 1.00 0.00 N ATOM 654 NH2 ARG A 41 -6.685 -0.413 -14.116 1.00 0.00 N ATOM 0 H ARG A 41 -1.319 3.061 -8.474 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.919 2.575 -11.355 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.366 0.383 -10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.885 1.027 -9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.910 1.782 -12.379 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.144 0.207 -12.429 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.981 -0.787 -11.109 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.713 0.788 -10.876 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.387 0.242 -13.690 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.597 -0.240 -10.939 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.900 -0.794 -11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.145 -0.135 -14.935 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.652 -0.719 -14.223 1.00 0.00 H new ATOM 668 N GLY A 42 -2.575 4.340 -11.570 1.00 0.00 N ATOM 669 CA GLY A 42 -3.614 5.306 -11.841 1.00 0.00 C ATOM 670 C GLY A 42 -3.500 6.470 -10.875 1.00 0.00 C ATOM 671 O GLY A 42 -2.429 7.050 -10.705 1.00 0.00 O ATOM 0 H GLY A 42 -1.825 4.319 -12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.531 5.664 -12.867 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.593 4.837 -11.745 1.00 0.00 H new ATOM 675 N ASN A 43 -4.611 6.730 -10.197 1.00 0.00 N ATOM 676 CA ASN A 43 -4.672 7.638 -9.056 1.00 0.00 C ATOM 677 C ASN A 43 -4.435 6.951 -7.713 1.00 0.00 C ATOM 678 O ASN A 43 -4.609 7.582 -6.676 1.00 0.00 O ATOM 679 CB ASN A 43 -6.008 8.379 -9.078 1.00 0.00 C ATOM 680 CG ASN A 43 -7.292 7.585 -8.834 1.00 0.00 C ATOM 681 OD1 ASN A 43 -7.311 6.325 -8.412 1.00 0.00 O flip ATOM 682 ND2 ASN A 43 -8.365 8.126 -9.050 1.00 0.00 N flip ATOM 0 H ASN A 43 -5.511 6.309 -10.428 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.852 8.349 -9.157 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.960 9.169 -8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.100 8.866 -10.049 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.393 9.092 -9.375 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.234 7.612 -8.905 1.00 0.00 H new ATOM 689 N THR A 44 -4.144 5.643 -7.724 1.00 0.00 N ATOM 690 CA THR A 44 -3.917 4.865 -6.493 1.00 0.00 C ATOM 691 C THR A 44 -2.453 4.522 -6.303 1.00 0.00 C ATOM 692 O THR A 44 -1.661 4.503 -7.242 1.00 0.00 O ATOM 693 CB THR A 44 -4.936 3.741 -6.319 1.00 0.00 C ATOM 694 OG1 THR A 44 -4.800 3.156 -5.039 1.00 0.00 O ATOM 695 CG2 THR A 44 -5.023 2.691 -7.412 1.00 0.00 C ATOM 0 H THR A 44 -4.059 5.095 -8.580 1.00 0.00 H new ATOM 0 HA THR A 44 -4.127 5.495 -5.629 1.00 0.00 H new ATOM 0 HB THR A 44 -5.898 4.244 -6.416 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.609 3.327 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.787 1.959 -7.153 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.284 3.169 -8.356 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.060 2.190 -7.513 1.00 0.00 H new ATOM 703 N TYR A 45 -2.090 4.419 -5.037 1.00 0.00 N ATOM 704 CA TYR A 45 -0.796 4.394 -4.429 1.00 0.00 C ATOM 705 C TYR A 45 -1.091 3.541 -3.221 1.00 0.00 C ATOM 706 O TYR A 45 -1.860 3.905 -2.324 1.00 0.00 O ATOM 707 CB TYR A 45 -0.321 5.759 -3.963 1.00 0.00 C ATOM 708 CG TYR A 45 0.037 6.708 -5.067 1.00 0.00 C ATOM 709 CD1 TYR A 45 -0.991 7.394 -5.728 1.00 0.00 C ATOM 710 CD2 TYR A 45 1.381 6.915 -5.415 1.00 0.00 C ATOM 711 CE1 TYR A 45 -0.667 8.370 -6.695 1.00 0.00 C ATOM 712 CE2 TYR A 45 1.716 7.876 -6.380 1.00 0.00 C ATOM 713 CZ TYR A 45 0.692 8.622 -7.009 1.00 0.00 C ATOM 714 OH TYR A 45 1.045 9.557 -7.935 1.00 0.00 O ATOM 0 H TYR A 45 -2.811 4.340 -4.320 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.015 4.046 -5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.102 6.212 -3.352 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.549 5.626 -3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.024 7.177 -5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.157 6.334 -4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.451 8.922 -7.193 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.750 8.045 -6.641 1.00 0.00 H new ATOM 0 HH TYR A 45 2.021 9.588 -8.013 1.00 0.00 H new ATOM 724 N LEU A 46 -0.522 2.360 -3.260 1.00 0.00 N ATOM 725 CA LEU A 46 -0.612 1.432 -2.176 1.00 0.00 C ATOM 726 C LEU A 46 0.535 1.800 -1.240 1.00 0.00 C ATOM 727 O LEU A 46 1.691 1.864 -1.673 1.00 0.00 O ATOM 728 CB LEU A 46 -0.481 0.040 -2.774 1.00 0.00 C ATOM 729 CG LEU A 46 -1.569 -0.992 -2.434 1.00 0.00 C ATOM 730 CD1 LEU A 46 -1.903 -1.293 -0.985 1.00 0.00 C ATOM 731 CD2 LEU A 46 -2.896 -0.564 -3.022 1.00 0.00 C ATOM 0 H LEU A 46 0.019 2.020 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.548 1.458 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.445 0.143 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.479 -0.370 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.106 -1.890 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.692 -2.044 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.015 -1.670 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.242 -0.381 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.659 -1.302 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.181 0.404 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.805 -0.485 -4.105 1.00 0.00 H new ATOM 743 N CYS A 47 0.212 2.088 0.018 1.00 0.00 N ATOM 744 CA CYS A 47 1.145 2.563 1.035 1.00 0.00 C ATOM 745 C CYS A 47 1.080 1.691 2.274 1.00 0.00 C ATOM 746 O CYS A 47 0.148 0.903 2.429 1.00 0.00 O ATOM 747 CB CYS A 47 0.828 4.039 1.385 1.00 0.00 C ATOM 748 SG CYS A 47 0.182 4.987 -0.026 1.00 0.00 S ATOM 0 H CYS A 47 -0.741 1.994 0.369 1.00 0.00 H new ATOM 0 HA CYS A 47 2.159 2.504 0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.100 4.065 2.196 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.733 4.521 1.754 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.684 4.266 -0.673 1.00 0.00 H new ATOM 754 N PHE A 48 2.021 1.886 3.179 1.00 0.00 N ATOM 755 CA PHE A 48 2.053 1.135 4.412 1.00 0.00 C ATOM 756 C PHE A 48 2.425 2.003 5.603 1.00 0.00 C ATOM 757 O PHE A 48 3.062 3.052 5.498 1.00 0.00 O ATOM 758 CB PHE A 48 2.946 -0.098 4.229 1.00 0.00 C ATOM 759 CG PHE A 48 4.418 0.161 4.124 1.00 0.00 C ATOM 760 CD1 PHE A 48 4.990 0.564 2.904 1.00 0.00 C ATOM 761 CD2 PHE A 48 5.231 -0.074 5.236 1.00 0.00 C ATOM 762 CE1 PHE A 48 6.383 0.721 2.797 1.00 0.00 C ATOM 763 CE2 PHE A 48 6.620 0.072 5.141 1.00 0.00 C ATOM 764 CZ PHE A 48 7.206 0.450 3.913 1.00 0.00 C ATOM 0 H PHE A 48 2.777 2.564 3.078 1.00 0.00 H new ATOM 0 HA PHE A 48 1.051 0.778 4.648 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.776 -0.772 5.069 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.625 -0.623 3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.359 0.753 2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.785 -0.370 6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.822 1.047 1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.243 -0.104 6.006 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.279 0.532 3.827 1.00 0.00 H new ATOM 774 N ASP A 49 2.017 1.527 6.772 1.00 0.00 N ATOM 775 CA ASP A 49 2.676 1.900 8.050 1.00 0.00 C ATOM 776 C ASP A 49 3.263 0.646 8.697 1.00 0.00 C ATOM 777 O ASP A 49 3.319 -0.419 8.075 1.00 0.00 O ATOM 778 CB ASP A 49 1.646 2.462 9.052 1.00 0.00 C ATOM 779 CG ASP A 49 1.077 3.832 8.753 1.00 0.00 C ATOM 780 OD1 ASP A 49 -0.125 4.009 9.037 1.00 0.00 O ATOM 781 OD2 ASP A 49 1.887 4.750 8.456 1.00 0.00 O1- ATOM 0 H ASP A 49 1.235 0.881 6.878 1.00 0.00 H new ATOM 0 HA ASP A 49 3.441 2.644 7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.817 1.757 9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.114 2.496 10.036 1.00 0.00 H new ATOM 786 N ASP A 50 3.567 0.771 9.992 1.00 0.00 N ATOM 787 CA ASP A 50 4.069 -0.317 10.800 1.00 0.00 C ATOM 788 C ASP A 50 3.070 -1.436 11.110 1.00 0.00 C ATOM 789 O ASP A 50 3.404 -2.470 11.677 1.00 0.00 O ATOM 790 CB ASP A 50 4.663 0.267 12.068 1.00 0.00 C ATOM 791 CG ASP A 50 5.866 1.164 11.848 1.00 0.00 C ATOM 792 OD1 ASP A 50 5.863 2.351 11.933 1.00 0.00 O ATOM 793 OD2 ASP A 50 7.012 0.591 11.682 1.00 0.00 O1- ATOM 0 H ASP A 50 3.466 1.647 10.505 1.00 0.00 H new ATOM 0 HA ASP A 50 4.827 -0.824 10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.891 0.837 12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.952 -0.551 12.728 1.00 0.00 H new ATOM 798 N THR A 51 1.812 -1.199 10.756 1.00 0.00 N ATOM 799 CA THR A 51 0.623 -1.743 11.428 1.00 0.00 C ATOM 800 C THR A 51 -0.285 -2.539 10.493 1.00 0.00 C ATOM 801 O THR A 51 -1.053 -3.402 10.925 1.00 0.00 O ATOM 802 CB THR A 51 -0.222 -0.571 11.983 1.00 0.00 C ATOM 803 OG1 THR A 51 0.514 0.639 12.035 1.00 0.00 O ATOM 804 CG2 THR A 51 -0.659 -0.873 13.401 1.00 0.00 C ATOM 0 H THR A 51 1.576 -0.601 9.964 1.00 0.00 H new ATOM 0 HA THR A 51 0.988 -2.409 12.210 1.00 0.00 H new ATOM 0 HB THR A 51 -1.072 -0.458 11.310 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.056 1.353 12.389 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.253 -0.043 13.783 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.259 -1.783 13.411 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.220 -1.011 14.031 1.00 0.00 H new ATOM 812 N ASN A 52 -0.257 -2.143 9.215 1.00 0.00 N ATOM 813 CA ASN A 52 -1.210 -2.358 8.146 1.00 0.00 C ATOM 814 C ASN A 52 -0.872 -1.439 6.959 1.00 0.00 C ATOM 815 O ASN A 52 0.111 -0.687 6.976 1.00 0.00 O ATOM 816 CB ASN A 52 -2.679 -2.284 8.597 1.00 0.00 C ATOM 817 CG ASN A 52 -3.150 -1.040 9.320 1.00 0.00 C ATOM 818 OD1 ASN A 52 -3.433 -1.012 10.513 1.00 0.00 O ATOM 819 ND2 ASN A 52 -3.294 0.045 8.587 1.00 0.00 N ATOM 0 H ASN A 52 0.536 -1.598 8.876 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.110 -3.389 7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.304 -2.411 7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.870 -3.138 9.247 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.640 0.905 9.012 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.059 0.025 7.595 1.00 0.00 H new ATOM 826 N LEU A 53 -1.667 -1.555 5.894 1.00 0.00 N ATOM 827 CA LEU A 53 -1.534 -0.788 4.666 1.00 0.00 C ATOM 828 C LEU A 53 -2.703 0.158 4.454 1.00 0.00 C ATOM 829 O LEU A 53 -3.702 0.079 5.163 1.00 0.00 O ATOM 830 CB LEU A 53 -1.347 -1.769 3.505 1.00 0.00 C ATOM 831 CG LEU A 53 0.132 -2.126 3.409 1.00 0.00 C ATOM 832 CD1 LEU A 53 0.490 -3.297 4.287 1.00 0.00 C ATOM 833 CD2 LEU A 53 0.494 -2.565 2.021 1.00 0.00 C ATOM 0 H LEU A 53 -2.448 -2.211 5.868 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.658 -0.142 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.944 -2.667 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.690 -1.322 2.572 1.00 0.00 H new ATOM 0 HG LEU A 53 0.663 -1.223 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.553 -3.516 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.266 -3.055 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.090 -4.169 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.555 -2.813 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.094 -3.443 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.285 -1.759 1.318 1.00 0.00 H new ATOM 845 N TYR A 54 -2.622 0.962 3.394 1.00 0.00 N ATOM 846 CA TYR A 54 -3.670 1.885 2.995 1.00 0.00 C ATOM 847 C TYR A 54 -3.550 2.053 1.479 1.00 0.00 C ATOM 848 O TYR A 54 -2.439 2.186 0.961 1.00 0.00 O ATOM 849 CB TYR A 54 -3.599 3.250 3.722 1.00 0.00 C ATOM 850 CG TYR A 54 -3.373 3.247 5.236 1.00 0.00 C ATOM 851 CD1 TYR A 54 -4.387 3.714 6.077 1.00 0.00 C ATOM 852 CD2 TYR A 54 -2.193 2.732 5.808 1.00 0.00 C ATOM 853 CE1 TYR A 54 -4.243 3.663 7.472 1.00 0.00 C ATOM 854 CE2 TYR A 54 -2.097 2.531 7.201 1.00 0.00 C ATOM 855 CZ TYR A 54 -3.110 3.040 8.045 1.00 0.00 C ATOM 856 OH TYR A 54 -3.016 2.913 9.400 1.00 0.00 O ATOM 0 H TYR A 54 -1.808 0.986 2.780 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.640 1.477 3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.797 3.830 3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.529 3.782 3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.292 4.119 5.648 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.353 2.489 5.174 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.998 4.100 8.109 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.258 1.994 7.618 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.127 3.201 9.695 1.00 0.00 H new ATOM 866 N ALA A 55 -4.656 2.046 0.741 1.00 0.00 N ATOM 867 CA ALA A 55 -4.650 2.590 -0.616 1.00 0.00 C ATOM 868 C ALA A 55 -5.123 4.028 -0.518 1.00 0.00 C ATOM 869 O ALA A 55 -6.271 4.245 -0.145 1.00 0.00 O ATOM 870 CB ALA A 55 -5.541 1.735 -1.531 1.00 0.00 C ATOM 0 H ALA A 55 -5.555 1.677 1.051 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.654 2.568 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.530 2.149 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.164 0.713 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.562 1.737 -1.149 1.00 0.00 H new ATOM 876 N ILE A 56 -4.247 4.986 -0.824 1.00 0.00 N ATOM 877 CA ILE A 56 -4.689 6.359 -1.039 1.00 0.00 C ATOM 878 C ILE A 56 -5.062 6.458 -2.515 1.00 0.00 C ATOM 879 O ILE A 56 -4.209 6.646 -3.381 1.00 0.00 O ATOM 880 CB ILE A 56 -3.666 7.395 -0.537 1.00 0.00 C ATOM 881 CG1 ILE A 56 -3.601 7.397 1.009 1.00 0.00 C ATOM 882 CG2 ILE A 56 -4.132 8.798 -0.990 1.00 0.00 C ATOM 883 CD1 ILE A 56 -2.480 6.572 1.630 1.00 0.00 C ATOM 0 H ILE A 56 -3.243 4.838 -0.927 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.565 6.606 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.685 7.144 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.497 8.428 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.552 7.029 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.420 9.547 -0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.191 8.828 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.115 9.009 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.532 6.647 2.716 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.588 5.529 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.517 6.949 1.286 1.00 0.00 H new ATOM 895 N THR A 57 -6.364 6.355 -2.766 1.00 0.00 N ATOM 896 CA THR A 57 -6.949 6.377 -4.109 1.00 0.00 C ATOM 897 C THR A 57 -7.482 7.770 -4.339 1.00 0.00 C ATOM 898 O THR A 57 -8.490 8.137 -3.757 1.00 0.00 O ATOM 899 CB THR A 57 -7.984 5.229 -4.184 1.00 0.00 C ATOM 900 OG1 THR A 57 -7.336 3.991 -3.998 1.00 0.00 O ATOM 901 CG2 THR A 57 -8.674 5.126 -5.541 1.00 0.00 C ATOM 0 H THR A 57 -7.060 6.252 -2.027 1.00 0.00 H new ATOM 0 HA THR A 57 -6.244 6.189 -4.919 1.00 0.00 H new ATOM 0 HB THR A 57 -8.721 5.451 -3.412 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.893 3.272 -4.363 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.387 4.301 -5.525 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.201 6.057 -5.753 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.928 4.946 -6.316 1.00 0.00 H new ATOM 909 N GLY A 58 -6.736 8.596 -5.073 1.00 0.00 N ATOM 910 CA GLY A 58 -6.957 10.019 -5.359 1.00 0.00 C ATOM 911 C GLY A 58 -6.639 10.942 -4.185 1.00 0.00 C ATOM 912 O GLY A 58 -5.960 11.949 -4.273 1.00 0.00 O ATOM 0 H GLY A 58 -5.885 8.259 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.343 10.308 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.997 10.164 -5.651 1.00 0.00 H new ATOM 916 N ASP A 59 -7.162 10.506 -3.042 1.00 0.00 N ATOM 917 CA ASP A 59 -7.271 11.171 -1.703 1.00 0.00 C ATOM 918 C ASP A 59 -8.078 10.341 -0.644 1.00 0.00 C ATOM 919 O ASP A 59 -8.075 10.672 0.550 1.00 0.00 O ATOM 920 CB ASP A 59 -7.874 12.599 -1.864 1.00 0.00 C ATOM 921 CG ASP A 59 -9.057 12.742 -2.856 1.00 0.00 C ATOM 922 OD1 ASP A 59 -10.041 11.959 -2.730 1.00 0.00 O ATOM 923 OD2 ASP A 59 -8.950 13.700 -3.679 1.00 0.00 O1- ATOM 0 H ASP A 59 -7.573 9.573 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.257 11.240 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.207 12.941 -0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.078 13.272 -2.183 1.00 0.00 H new ATOM 928 N VAL A 60 -8.675 9.196 -1.058 1.00 0.00 N ATOM 929 CA VAL A 60 -9.406 8.247 -0.234 1.00 0.00 C ATOM 930 C VAL A 60 -8.358 7.374 0.424 1.00 0.00 C ATOM 931 O VAL A 60 -7.869 6.468 -0.230 1.00 0.00 O ATOM 932 CB VAL A 60 -10.385 7.381 -1.076 1.00 0.00 C ATOM 933 CG1 VAL A 60 -11.030 6.266 -0.239 1.00 0.00 C ATOM 934 CG2 VAL A 60 -11.453 8.260 -1.739 1.00 0.00 C ATOM 0 H VAL A 60 -8.648 8.909 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.021 8.770 0.499 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.802 6.897 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.707 5.685 -0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.253 5.613 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.589 6.707 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.128 7.634 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.020 8.786 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.971 8.985 -2.395 1.00 0.00 H new ATOM 944 N VAL A 61 -8.120 7.589 1.710 1.00 0.00 N ATOM 945 CA VAL A 61 -7.259 6.724 2.517 1.00 0.00 C ATOM 946 C VAL A 61 -8.018 5.485 2.971 1.00 0.00 C ATOM 947 O VAL A 61 -8.641 5.422 4.031 1.00 0.00 O ATOM 948 CB VAL A 61 -6.616 7.562 3.630 1.00 0.00 C ATOM 949 CG1 VAL A 61 -7.606 8.128 4.675 1.00 0.00 C ATOM 950 CG2 VAL A 61 -5.489 6.813 4.352 1.00 0.00 C ATOM 0 H VAL A 61 -8.519 8.371 2.229 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.431 6.323 1.932 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.202 8.415 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.058 8.705 5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.331 8.773 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.128 7.306 5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.068 7.451 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.887 5.904 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.710 6.551 3.637 1.00 0.00 H new ATOM 960 N LEU A 62 -7.980 4.467 2.123 1.00 0.00 N ATOM 961 CA LEU A 62 -8.639 3.211 2.411 1.00 0.00 C ATOM 962 C LEU A 62 -7.672 2.332 3.204 1.00 0.00 C ATOM 963 O LEU A 62 -6.889 1.574 2.631 1.00 0.00 O ATOM 964 CB LEU A 62 -9.137 2.602 1.090 1.00 0.00 C ATOM 965 CG LEU A 62 -10.122 1.416 1.207 1.00 0.00 C ATOM 966 CD1 LEU A 62 -9.961 0.504 2.434 1.00 0.00 C ATOM 967 CD2 LEU A 62 -11.576 1.933 1.198 1.00 0.00 C ATOM 0 H LEU A 62 -7.495 4.492 1.226 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.524 3.331 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.619 3.390 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.270 2.271 0.518 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.880 0.801 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.709 -0.288 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.965 0.062 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.095 1.090 3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -12.262 1.090 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.727 2.608 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.767 2.466 0.267 1.00 0.00 H new ATOM 979 N LYS A 63 -7.701 2.477 4.532 1.00 0.00 N ATOM 980 CA LYS A 63 -6.998 1.585 5.448 1.00 0.00 C ATOM 981 C LYS A 63 -7.395 0.129 5.203 1.00 0.00 C ATOM 982 O LYS A 63 -8.573 -0.234 5.155 1.00 0.00 O ATOM 983 CB LYS A 63 -7.318 1.834 6.936 1.00 0.00 C ATOM 984 CG LYS A 63 -7.865 3.183 7.412 1.00 0.00 C ATOM 985 CD LYS A 63 -8.280 3.111 8.907 1.00 0.00 C ATOM 986 CE LYS A 63 -7.277 2.351 9.811 1.00 0.00 C ATOM 987 NZ LYS A 63 -7.748 2.145 11.208 1.00 0.00 N ATOM 0 H LYS A 63 -8.217 3.222 5.001 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.944 1.784 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.037 1.073 7.239 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.401 1.646 7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.109 3.956 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.724 3.468 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.399 4.125 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.254 2.628 8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.066 1.380 9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.337 2.902 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.022 1.631 11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.922 3.068 11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.629 1.593 11.199 1.00 0.00 H new ATOM 1001 N PHE A 64 -6.402 -0.747 5.168 1.00 0.00 N ATOM 1002 CA PHE A 64 -6.605 -2.181 5.211 1.00 0.00 C ATOM 1003 C PHE A 64 -6.611 -2.667 6.660 1.00 0.00 C ATOM 1004 O PHE A 64 -5.754 -2.278 7.446 1.00 0.00 O ATOM 1005 CB PHE A 64 -5.543 -2.847 4.347 1.00 0.00 C ATOM 1006 CG PHE A 64 -5.698 -2.491 2.882 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -6.873 -2.813 2.181 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -4.711 -1.719 2.259 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -7.031 -2.391 0.853 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -4.878 -1.278 0.945 1.00 0.00 C ATOM 1011 CZ PHE A 64 -6.035 -1.616 0.241 1.00 0.00 C ATOM 0 H PHE A 64 -5.421 -0.475 5.108 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.578 -2.454 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.554 -2.545 4.691 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.605 -3.929 4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.652 -3.384 2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.812 -1.462 2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.919 -2.663 0.302 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.114 -0.677 0.474 1.00 0.00 H new ATOM 0 HZ PHE A 64 -6.164 -1.280 -0.777 1.00 0.00 H new ATOM 1021 N ALA A 65 -7.549 -3.553 6.988 1.00 0.00 N ATOM 1022 CA ALA A 65 -7.580 -4.264 8.271 1.00 0.00 C ATOM 1023 C ALA A 65 -6.565 -5.386 8.374 1.00 0.00 C ATOM 1024 O ALA A 65 -6.643 -6.220 9.270 1.00 0.00 O ATOM 1025 CB ALA A 65 -8.976 -4.836 8.452 1.00 0.00 C ATOM 0 H ALA A 65 -8.318 -3.802 6.366 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.321 -3.548 9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.030 -5.372 9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.704 -4.025 8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.197 -5.522 7.634 1.00 0.00 H new ATOM 1031 N THR A 66 -5.664 -5.532 7.407 1.00 0.00 N ATOM 1032 CA THR A 66 -4.681 -6.584 7.336 1.00 0.00 C ATOM 1033 C THR A 66 -3.612 -5.969 6.510 1.00 0.00 C ATOM 1034 O THR A 66 -3.754 -4.905 5.913 1.00 0.00 O ATOM 1035 CB THR A 66 -5.216 -7.827 6.621 1.00 0.00 C ATOM 1036 OG1 THR A 66 -6.603 -7.912 6.780 1.00 0.00 O ATOM 1037 CG2 THR A 66 -4.753 -9.147 7.189 1.00 0.00 C ATOM 0 H THR A 66 -5.605 -4.885 6.620 1.00 0.00 H new ATOM 0 HA THR A 66 -4.366 -6.920 8.324 1.00 0.00 H new ATOM 0 HB THR A 66 -4.858 -7.696 5.600 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.937 -8.709 6.318 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.187 -9.964 6.612 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.666 -9.204 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.071 -9.227 8.228 1.00 0.00 H new ATOM 1045 N VAL A 67 -2.590 -6.753 6.353 1.00 0.00 N ATOM 1046 CA VAL A 67 -1.683 -6.543 5.265 1.00 0.00 C ATOM 1047 C VAL A 67 -2.191 -7.182 3.979 1.00 0.00 C ATOM 1048 O VAL A 67 -2.286 -6.529 2.950 1.00 0.00 O ATOM 1049 CB VAL A 67 -0.364 -7.172 5.651 1.00 0.00 C ATOM 1050 CG1 VAL A 67 0.622 -6.419 4.846 1.00 0.00 C ATOM 1051 CG2 VAL A 67 0.167 -6.946 7.043 1.00 0.00 C ATOM 0 H VAL A 67 -2.363 -7.540 6.960 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.580 -5.474 5.079 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.510 -8.245 5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.624 -6.797 5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.397 -6.542 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.573 -5.362 5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.119 -7.464 7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.312 -5.878 7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.546 -7.332 7.772 1.00 0.00 H new ATOM 1061 N SER A 68 -2.567 -8.462 4.040 1.00 0.00 N ATOM 1062 CA SER A 68 -2.885 -9.267 2.859 1.00 0.00 C ATOM 1063 C SER A 68 -4.057 -8.684 2.046 1.00 0.00 C ATOM 1064 O SER A 68 -4.101 -8.907 0.838 1.00 0.00 O ATOM 1065 CB SER A 68 -3.146 -10.711 3.312 1.00 0.00 C ATOM 1066 OG SER A 68 -2.116 -11.093 4.246 1.00 0.00 O ATOM 0 H SER A 68 -2.660 -8.973 4.918 1.00 0.00 H new ATOM 0 HA SER A 68 -2.036 -9.253 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.128 -10.790 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.146 -11.383 2.454 1.00 0.00 H new ATOM 0 HG SER A 68 -2.271 -12.013 4.545 1.00 0.00 H new ATOM 1072 N LYS A 69 -4.909 -7.835 2.656 1.00 0.00 N ATOM 1073 CA LYS A 69 -5.931 -7.075 1.943 1.00 0.00 C ATOM 1074 C LYS A 69 -5.359 -6.307 0.748 1.00 0.00 C ATOM 1075 O LYS A 69 -5.902 -6.417 -0.346 1.00 0.00 O ATOM 1076 CB LYS A 69 -6.517 -6.042 2.884 1.00 0.00 C ATOM 1077 CG LYS A 69 -6.984 -6.546 4.240 1.00 0.00 C ATOM 1078 CD LYS A 69 -8.434 -6.184 4.518 1.00 0.00 C ATOM 1079 CE LYS A 69 -9.238 -7.231 3.746 1.00 0.00 C ATOM 1080 NZ LYS A 69 -10.680 -6.907 3.606 1.00 0.00 N ATOM 0 H LYS A 69 -4.899 -7.663 3.661 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.673 -7.790 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.769 -5.266 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.363 -5.568 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.867 -7.629 4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.350 -6.125 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.656 -6.219 5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.665 -5.175 4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.805 -7.346 2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.140 -8.193 4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.155 -7.663 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.111 -6.826 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.786 -6.006 3.098 1.00 0.00 H new ATOM 1094 N ALA A 70 -4.276 -5.568 0.995 1.00 0.00 N ATOM 1095 CA ALA A 70 -3.587 -4.788 -0.013 1.00 0.00 C ATOM 1096 C ALA A 70 -3.246 -5.571 -1.294 1.00 0.00 C ATOM 1097 O ALA A 70 -3.140 -4.972 -2.357 1.00 0.00 O ATOM 1098 CB ALA A 70 -2.359 -4.233 0.695 1.00 0.00 C ATOM 0 H ALA A 70 -3.852 -5.499 1.920 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.229 -3.995 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.780 -3.627 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.672 -3.617 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.744 -5.057 1.057 1.00 0.00 H new ATOM 1104 N ARG A 71 -3.083 -6.900 -1.222 1.00 0.00 N ATOM 1105 CA ARG A 71 -2.769 -7.759 -2.379 1.00 0.00 C ATOM 1106 C ARG A 71 -3.957 -8.027 -3.298 1.00 0.00 C ATOM 1107 O ARG A 71 -3.803 -8.001 -4.517 1.00 0.00 O ATOM 1108 CB ARG A 71 -2.198 -9.087 -1.845 1.00 0.00 C ATOM 1109 CG ARG A 71 -1.073 -9.654 -2.726 1.00 0.00 C ATOM 1110 CD ARG A 71 0.151 -10.145 -1.906 1.00 0.00 C ATOM 1111 NE ARG A 71 -0.163 -11.248 -0.973 1.00 0.00 N ATOM 1112 CZ ARG A 71 0.730 -12.168 -0.569 1.00 0.00 C ATOM 1113 NH1 ARG A 71 2.033 -12.090 -0.809 1.00 0.00 N ATOM 1114 NH2 ARG A 71 0.370 -13.007 0.388 1.00 0.00 N ATOM 0 H ARG A 71 -3.166 -7.418 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 71 -2.044 -7.228 -2.996 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.818 -8.933 -0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.002 -9.820 -1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.464 -10.483 -3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.748 -8.887 -3.429 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.930 -10.473 -2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.558 -9.307 -1.340 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.115 -11.315 -0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.409 -11.297 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.658 -12.823 -0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.562 -12.944 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.025 -13.717 0.717 1.00 0.00 H new ATOM 1128 N ALA A 72 -5.133 -8.190 -2.706 1.00 0.00 N ATOM 1129 CA ALA A 72 -6.403 -8.270 -3.397 1.00 0.00 C ATOM 1130 C ALA A 72 -6.880 -6.875 -3.854 1.00 0.00 C ATOM 1131 O ALA A 72 -7.667 -6.751 -4.787 1.00 0.00 O ATOM 1132 CB ALA A 72 -7.333 -8.967 -2.405 1.00 0.00 C ATOM 0 H ALA A 72 -5.227 -8.273 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.357 -8.834 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.324 -9.071 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.937 -9.954 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.403 -8.374 -1.493 1.00 0.00 H new ATOM 1138 N TYR A 73 -6.351 -5.801 -3.250 1.00 0.00 N ATOM 1139 CA TYR A 73 -6.562 -4.408 -3.705 1.00 0.00 C ATOM 1140 C TYR A 73 -5.933 -4.188 -5.081 1.00 0.00 C ATOM 1141 O TYR A 73 -6.569 -3.693 -6.004 1.00 0.00 O ATOM 1142 CB TYR A 73 -6.093 -3.351 -2.702 1.00 0.00 C ATOM 1143 CG TYR A 73 -6.638 -1.993 -3.147 1.00 0.00 C ATOM 1144 CD1 TYR A 73 -7.867 -1.533 -2.628 1.00 0.00 C ATOM 1145 CD2 TYR A 73 -6.024 -1.292 -4.204 1.00 0.00 C ATOM 1146 CE1 TYR A 73 -8.477 -0.386 -3.164 1.00 0.00 C ATOM 1147 CE2 TYR A 73 -6.676 -0.214 -4.807 1.00 0.00 C ATOM 1148 CZ TYR A 73 -7.901 0.251 -4.284 1.00 0.00 C ATOM 1149 OH TYR A 73 -8.564 1.238 -4.941 1.00 0.00 O ATOM 0 H TYR A 73 -5.758 -5.870 -2.423 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.641 -4.274 -3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.449 -3.593 -1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.004 -3.327 -2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.341 -2.064 -1.816 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.045 -1.590 -4.549 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.381 0.006 -2.722 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.243 0.263 -5.673 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.573 1.043 -5.901 1.00 0.00 H new ATOM 1159 N LEU A 74 -4.694 -4.647 -5.233 1.00 0.00 N ATOM 1160 CA LEU A 74 -3.901 -4.548 -6.452 1.00 0.00 C ATOM 1161 C LEU A 74 -4.553 -5.120 -7.728 1.00 0.00 C ATOM 1162 O LEU A 74 -4.195 -4.672 -8.817 1.00 0.00 O ATOM 1163 CB LEU A 74 -2.563 -5.242 -6.120 1.00 0.00 C ATOM 1164 CG LEU A 74 -1.347 -4.301 -6.050 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -1.604 -3.091 -5.152 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -0.157 -5.048 -5.441 1.00 0.00 C ATOM 0 H LEU A 74 -4.195 -5.118 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.783 -3.497 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.663 -5.755 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.370 -6.007 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.151 -3.967 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.718 -2.456 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.449 -2.523 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.828 -3.430 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.704 -4.382 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.414 -5.384 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.087 -5.911 -6.061 1.00 0.00 H new ATOM 1178 N GLU A 75 -5.513 -6.039 -7.580 1.00 0.00 N ATOM 1179 CA GLU A 75 -6.326 -6.572 -8.689 1.00 0.00 C ATOM 1180 C GLU A 75 -7.810 -6.148 -8.665 1.00 0.00 C ATOM 1181 O GLU A 75 -8.586 -6.562 -9.530 1.00 0.00 O ATOM 1182 CB GLU A 75 -6.103 -8.085 -8.824 1.00 0.00 C ATOM 1183 CG GLU A 75 -5.993 -8.906 -7.537 1.00 0.00 C ATOM 1184 CD GLU A 75 -5.742 -10.367 -7.911 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -6.607 -11.219 -7.617 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -4.740 -10.653 -8.614 1.00 0.00 O1- ATOM 0 H GLU A 75 -5.754 -6.442 -6.675 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.969 -6.101 -9.605 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.924 -8.494 -9.413 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.190 -8.239 -9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.180 -8.529 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.908 -8.817 -6.952 1.00 0.00 H new ATOM 1193 N THR A 76 -8.223 -5.308 -7.711 1.00 0.00 N ATOM 1194 CA THR A 76 -9.610 -4.836 -7.528 1.00 0.00 C ATOM 1195 C THR A 76 -9.713 -3.289 -7.571 1.00 0.00 C ATOM 1196 O THR A 76 -10.265 -2.687 -6.650 1.00 0.00 O ATOM 1197 CB THR A 76 -10.170 -5.445 -6.227 1.00 0.00 C ATOM 1198 OG1 THR A 76 -9.929 -6.843 -6.221 1.00 0.00 O ATOM 1199 CG2 THR A 76 -11.684 -5.320 -6.150 1.00 0.00 C ATOM 0 H THR A 76 -7.583 -4.921 -7.018 1.00 0.00 H new ATOM 0 HA THR A 76 -10.224 -5.177 -8.362 1.00 0.00 H new ATOM 0 HB THR A 76 -9.688 -4.915 -5.405 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.213 -7.049 -5.584 1.00 0.00 H new ATOM 0 HG21 THR A 76 -12.039 -5.761 -5.218 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.964 -4.267 -6.183 1.00 0.00 H new ATOM 0 HG23 THR A 76 -12.136 -5.842 -6.994 1.00 0.00 H new ATOM 1207 N LYS A 77 -9.264 -2.726 -8.697 1.00 0.00 N ATOM 1208 CA LYS A 77 -9.214 -1.321 -9.110 1.00 0.00 C ATOM 1209 C LYS A 77 -8.107 -0.489 -8.463 1.00 0.00 C ATOM 1210 O LYS A 77 -7.042 -0.475 -9.095 1.00 0.00 O ATOM 1211 CB LYS A 77 -10.593 -0.651 -9.051 1.00 0.00 C ATOM 1212 CG LYS A 77 -11.450 -0.797 -10.326 1.00 0.00 C ATOM 1213 CD LYS A 77 -12.137 -2.157 -10.554 1.00 0.00 C ATOM 1214 CE LYS A 77 -13.407 -2.341 -9.691 1.00 0.00 C ATOM 1215 NZ LYS A 77 -13.116 -2.817 -8.308 1.00 0.00 N ATOM 1216 OXT LYS A 77 -8.351 0.223 -7.461 1.00 0.00 O1- ATOM 0 H LYS A 77 -8.879 -3.320 -9.431 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.920 -1.352 -10.159 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.147 -1.069 -8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.455 0.410 -8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.221 -0.027 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.815 -0.590 -11.187 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.402 -2.253 -11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.432 -2.957 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.941 -1.393 -9.637 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.071 -3.053 -10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.915 -3.386 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.254 -3.399 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.976 -1.999 -7.681 1.00 0.00 H new TER 1230 LYS A 77