USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 467 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 9 SER OG : rot 52:sc= 1.65 USER MOD Set 1.2: A 33 TYR OH : rot -11:sc= 1.26 USER MOD Set 2.1: A 29 THR OG1 : rot 113:sc= 1.05 USER MOD Set 2.2: A 30 HIS : no HD1:sc= 0.449 K(o=1.5,f=-2.1) USER MOD Single : A 1 ARG N :NH3+ -144:sc= 2.46 (180deg=0.0687) USER MOD Single : A 4 TYR OH : rot 180:sc= 0.411 USER MOD Single : A 5 SER OG : rot -140:sc= -0.136 USER MOD Single : A 6 HIS : no HE2:sc= 0.2 K(o=0.2,f=-7.8!) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0249) USER MOD Single : A 14 THR OG1 : rot 48:sc= 0.858 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00258 USER MOD Single : A 20 ASN : amide:sc= 0.888 K(o=0.89,f=-3.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 23 TYR OH : rot 5:sc= 1.06 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= 1.11 (180deg=0.899) USER MOD Single : A 25 MET CE :methyl -168:sc= -0.128 (180deg=-0.691) USER MOD Single : A 35 SER OG : rot -120:sc= 0 USER MOD Single : A 43 THR OG1 : rot -83:sc= 0.137 USER MOD Single : A 45 MET CE :methyl -177:sc= 0 (180deg=-0.0284) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 1.03 K(o=1,f=-9.6!) USER MOD Single : A 50 THR OG1 : rot 169:sc= 1.09 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 2.2 K(o=2.2,f=-11!) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0569) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.412 5.027 -0.176 1.00 0.00 N ATOM 2 CA ARG A 1 12.178 4.092 0.938 1.00 0.00 C ATOM 3 C ARG A 1 11.807 2.713 0.383 1.00 0.00 C ATOM 4 O ARG A 1 11.432 2.622 -0.788 1.00 0.00 O ATOM 5 CB ARG A 1 11.049 4.655 1.822 1.00 0.00 C ATOM 6 CG ARG A 1 10.793 3.984 3.173 1.00 0.00 C ATOM 7 CD ARG A 1 11.991 4.111 4.114 1.00 0.00 C ATOM 8 NE ARG A 1 12.288 5.498 4.477 1.00 0.00 N ATOM 9 CZ ARG A 1 13.291 5.837 5.301 1.00 0.00 C ATOM 10 NH1 ARG A 1 14.108 4.904 5.807 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.462 7.122 5.622 1.00 0.00 N ATOM 0 H1 ARG A 1 13.183 5.678 0.074 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.673 4.492 -1.029 1.00 0.00 H new ATOM 0 H3 ARG A 1 11.545 5.571 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 1 13.080 3.981 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 1 11.263 5.708 2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.123 4.614 1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 1 9.916 4.433 3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.566 2.930 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.797 3.538 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.867 3.670 3.639 1.00 0.00 H new ATOM 0 HE ARG A 1 11.707 6.239 4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.971 3.922 5.567 1.00 0.00 H new ATOM 0 HH12 ARG A 1 14.867 5.175 6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.834 7.831 5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.220 7.395 6.247 1.00 0.00 H new ATOM 27 N ILE A 2 11.916 1.646 1.183 1.00 0.00 N ATOM 28 CA ILE A 2 11.481 0.323 0.748 1.00 0.00 C ATOM 29 C ILE A 2 9.963 0.330 0.897 1.00 0.00 C ATOM 30 O ILE A 2 9.474 0.744 1.946 1.00 0.00 O ATOM 31 CB ILE A 2 12.087 -0.776 1.645 1.00 0.00 C ATOM 32 CG1 ILE A 2 13.622 -0.833 1.542 1.00 0.00 C ATOM 33 CG2 ILE A 2 11.481 -2.146 1.301 1.00 0.00 C ATOM 34 CD1 ILE A 2 14.124 -1.596 0.318 1.00 0.00 C ATOM 0 H ILE A 2 12.299 1.677 2.128 1.00 0.00 H new ATOM 0 HA ILE A 2 11.799 0.115 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 2 11.839 -0.521 2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 2 14.014 0.184 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 2 14.021 -1.302 2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 2 11.920 -2.910 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.403 -2.116 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.690 -2.385 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 2 15.214 -1.595 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.762 -2.623 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.755 -1.115 -0.588 1.00 0.00 H new ATOM 46 N CYS A 3 9.220 -0.103 -0.122 1.00 0.00 N ATOM 47 CA CYS A 3 7.763 -0.144 -0.069 1.00 0.00 C ATOM 48 C CYS A 3 7.301 -1.482 -0.615 1.00 0.00 C ATOM 49 O CYS A 3 7.884 -1.989 -1.574 1.00 0.00 O ATOM 50 CB CYS A 3 7.144 0.988 -0.900 1.00 0.00 C ATOM 51 SG CYS A 3 7.582 2.671 -0.391 1.00 0.00 S ATOM 0 H CYS A 3 9.612 -0.434 -1.004 1.00 0.00 H new ATOM 0 HA CYS A 3 7.442 -0.016 0.965 1.00 0.00 H new ATOM 0 HB2 CYS A 3 7.442 0.854 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.059 0.888 -0.864 1.00 0.00 H new ATOM 56 N TYR A 4 6.295 -2.092 0.011 1.00 0.00 N ATOM 57 CA TYR A 4 5.705 -3.315 -0.488 1.00 0.00 C ATOM 58 C TYR A 4 4.833 -2.925 -1.679 1.00 0.00 C ATOM 59 O TYR A 4 4.450 -1.757 -1.810 1.00 0.00 O ATOM 60 CB TYR A 4 4.833 -3.975 0.583 1.00 0.00 C ATOM 61 CG TYR A 4 5.551 -4.700 1.707 1.00 0.00 C ATOM 62 CD1 TYR A 4 6.147 -5.951 1.456 1.00 0.00 C ATOM 63 CD2 TYR A 4 5.350 -4.291 3.038 1.00 0.00 C ATOM 64 CE1 TYR A 4 6.554 -6.770 2.522 1.00 0.00 C ATOM 65 CE2 TYR A 4 5.663 -5.156 4.101 1.00 0.00 C ATOM 66 CZ TYR A 4 6.260 -6.399 3.842 1.00 0.00 C ATOM 67 OH TYR A 4 6.629 -7.213 4.874 1.00 0.00 O ATOM 0 H TYR A 4 5.874 -1.747 0.874 1.00 0.00 H new ATOM 0 HA TYR A 4 6.483 -4.025 -0.769 1.00 0.00 H new ATOM 0 HB2 TYR A 4 4.200 -3.206 1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 4 4.171 -4.687 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 4 6.292 -6.282 0.438 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.953 -3.308 3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.093 -7.685 2.325 1.00 0.00 H new ATOM 0 HE2 TYR A 4 5.444 -4.864 5.117 1.00 0.00 H new ATOM 0 HH TYR A 4 6.352 -6.810 5.723 1.00 0.00 H new ATOM 77 N SER A 5 4.514 -3.878 -2.552 1.00 0.00 N ATOM 78 CA SER A 5 3.654 -3.621 -3.699 1.00 0.00 C ATOM 79 C SER A 5 2.898 -4.881 -4.119 1.00 0.00 C ATOM 80 O SER A 5 2.595 -5.034 -5.299 1.00 0.00 O ATOM 81 CB SER A 5 4.482 -3.055 -4.863 1.00 0.00 C ATOM 82 OG SER A 5 5.213 -1.912 -4.458 1.00 0.00 O ATOM 0 H SER A 5 4.842 -4.841 -2.483 1.00 0.00 H new ATOM 0 HA SER A 5 2.909 -2.879 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.168 -3.818 -5.231 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.822 -2.794 -5.690 1.00 0.00 H new ATOM 0 HG SER A 5 5.195 -1.242 -5.173 1.00 0.00 H new ATOM 88 N HIS A 6 2.605 -5.789 -3.178 1.00 0.00 N ATOM 89 CA HIS A 6 1.814 -6.969 -3.509 1.00 0.00 C ATOM 90 C HIS A 6 0.339 -6.627 -3.368 1.00 0.00 C ATOM 91 O HIS A 6 -0.040 -5.567 -2.863 1.00 0.00 O ATOM 92 CB HIS A 6 2.226 -8.204 -2.692 1.00 0.00 C ATOM 93 CG HIS A 6 1.312 -8.710 -1.611 1.00 0.00 C ATOM 94 ND1 HIS A 6 1.133 -8.112 -0.373 1.00 0.00 N ATOM 95 CD2 HIS A 6 0.612 -9.882 -1.546 1.00 0.00 C ATOM 96 CE1 HIS A 6 0.325 -8.919 0.338 1.00 0.00 C ATOM 97 NE2 HIS A 6 -0.035 -10.017 -0.326 1.00 0.00 N ATOM 0 H HIS A 6 2.899 -5.727 -2.203 1.00 0.00 H new ATOM 0 HA HIS A 6 2.008 -7.249 -4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 6 2.387 -9.022 -3.394 1.00 0.00 H new ATOM 0 HB3 HIS A 6 3.189 -7.985 -2.231 1.00 0.00 H new ATOM 0 HD1 HIS A 6 1.537 -7.229 -0.061 1.00 0.00 H new ATOM 0 HD2 HIS A 6 0.568 -10.610 -2.342 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.001 -8.699 1.345 1.00 0.00 H new ATOM 105 N LYS A 7 -0.485 -7.571 -3.804 1.00 0.00 N ATOM 106 CA LYS A 7 -1.933 -7.439 -3.829 1.00 0.00 C ATOM 107 C LYS A 7 -2.594 -8.562 -3.036 1.00 0.00 C ATOM 108 O LYS A 7 -2.041 -9.655 -2.922 1.00 0.00 O ATOM 109 CB LYS A 7 -2.432 -7.328 -5.282 1.00 0.00 C ATOM 110 CG LYS A 7 -1.761 -8.232 -6.332 1.00 0.00 C ATOM 111 CD LYS A 7 -2.034 -9.738 -6.188 1.00 0.00 C ATOM 112 CE LYS A 7 -3.526 -10.098 -6.151 1.00 0.00 C ATOM 113 NZ LYS A 7 -4.256 -9.570 -7.318 1.00 0.00 N ATOM 0 H LYS A 7 -0.156 -8.469 -4.158 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.225 -6.514 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.501 -7.541 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.311 -6.293 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.091 -7.915 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.684 -8.071 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.564 -10.264 -7.019 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.561 -10.098 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.636 -11.182 -6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.971 -9.703 -5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.239 -9.908 -7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.247 -8.530 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.798 -9.899 -8.192 1.00 0.00 H new ATOM 127 N ALA A 8 -3.778 -8.269 -2.488 1.00 0.00 N ATOM 128 CA ALA A 8 -4.546 -9.172 -1.640 1.00 0.00 C ATOM 129 C ALA A 8 -3.685 -9.612 -0.447 1.00 0.00 C ATOM 130 O ALA A 8 -2.788 -8.883 -0.024 1.00 0.00 O ATOM 131 CB ALA A 8 -5.069 -10.335 -2.498 1.00 0.00 C ATOM 0 H ALA A 8 -4.237 -7.369 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.419 -8.677 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.645 -11.017 -1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.706 -9.944 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.227 -10.870 -2.938 1.00 0.00 H new ATOM 137 N SER A 9 -3.986 -10.778 0.122 1.00 0.00 N ATOM 138 CA SER A 9 -3.248 -11.397 1.213 1.00 0.00 C ATOM 139 C SER A 9 -2.579 -12.659 0.663 1.00 0.00 C ATOM 140 O SER A 9 -3.086 -13.760 0.880 1.00 0.00 O ATOM 141 CB SER A 9 -4.229 -11.716 2.348 1.00 0.00 C ATOM 142 OG SER A 9 -5.291 -12.512 1.851 1.00 0.00 O ATOM 0 H SER A 9 -4.784 -11.337 -0.179 1.00 0.00 H new ATOM 0 HA SER A 9 -2.478 -10.738 1.613 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.713 -12.242 3.151 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.622 -10.792 2.773 1.00 0.00 H new ATOM 0 HG SER A 9 -4.924 -13.286 1.375 1.00 0.00 H new ATOM 148 N LEU A 10 -1.483 -12.494 -0.080 1.00 0.00 N ATOM 149 CA LEU A 10 -0.732 -13.560 -0.740 1.00 0.00 C ATOM 150 C LEU A 10 0.759 -13.369 -0.392 1.00 0.00 C ATOM 151 O LEU A 10 1.056 -12.592 0.517 1.00 0.00 O ATOM 152 CB LEU A 10 -1.038 -13.468 -2.250 1.00 0.00 C ATOM 153 CG LEU A 10 -2.530 -13.591 -2.608 1.00 0.00 C ATOM 154 CD1 LEU A 10 -2.716 -13.262 -4.093 1.00 0.00 C ATOM 155 CD2 LEU A 10 -3.067 -15.003 -2.341 1.00 0.00 C ATOM 0 H LEU A 10 -1.078 -11.572 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.011 -14.561 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.665 -12.516 -2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.487 -14.253 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.085 -12.893 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.771 -13.347 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.375 -12.245 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.135 -13.960 -4.696 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.123 -15.047 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.511 -15.723 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.949 -15.244 -1.284 1.00 0.00 H new ATOM 167 N PRO A 11 1.726 -14.069 -1.019 1.00 0.00 N ATOM 168 CA PRO A 11 3.129 -13.829 -0.721 1.00 0.00 C ATOM 169 C PRO A 11 3.489 -12.375 -1.035 1.00 0.00 C ATOM 170 O PRO A 11 2.930 -11.770 -1.948 1.00 0.00 O ATOM 171 CB PRO A 11 3.933 -14.814 -1.568 1.00 0.00 C ATOM 172 CG PRO A 11 2.933 -15.944 -1.814 1.00 0.00 C ATOM 173 CD PRO A 11 1.606 -15.193 -1.931 1.00 0.00 C ATOM 0 HA PRO A 11 3.352 -13.983 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.271 -14.363 -2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.821 -15.167 -1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.165 -16.501 -2.722 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.922 -16.662 -0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.433 -14.855 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.766 -15.832 -1.660 1.00 0.00 H new ATOM 181 N ARG A 12 4.427 -11.819 -0.274 1.00 0.00 N ATOM 182 CA ARG A 12 4.798 -10.420 -0.403 1.00 0.00 C ATOM 183 C ARG A 12 5.636 -10.160 -1.658 1.00 0.00 C ATOM 184 O ARG A 12 6.235 -11.065 -2.234 1.00 0.00 O ATOM 185 CB ARG A 12 5.576 -9.973 0.840 1.00 0.00 C ATOM 186 CG ARG A 12 4.870 -10.267 2.175 1.00 0.00 C ATOM 187 CD ARG A 12 3.453 -9.692 2.284 1.00 0.00 C ATOM 188 NE ARG A 12 3.442 -8.238 2.072 1.00 0.00 N ATOM 189 CZ ARG A 12 2.544 -7.383 2.580 1.00 0.00 C ATOM 190 NH1 ARG A 12 1.546 -7.776 3.374 1.00 0.00 N ATOM 191 NH2 ARG A 12 2.624 -6.086 2.298 1.00 0.00 N ATOM 0 H ARG A 12 4.946 -12.324 0.444 1.00 0.00 H new ATOM 0 HA ARG A 12 3.878 -9.843 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.548 -10.466 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.762 -8.901 0.770 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.822 -11.347 2.316 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.475 -9.865 2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.807 -10.172 1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.042 -9.920 3.267 1.00 0.00 H new ATOM 0 HE ARG A 12 4.181 -7.846 1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.445 -8.762 3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.884 -7.091 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.370 -5.740 1.694 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.940 -5.437 2.686 1.00 0.00 H new ATOM 205 N ALA A 13 5.689 -8.884 -2.041 1.00 0.00 N ATOM 206 CA ALA A 13 6.448 -8.330 -3.149 1.00 0.00 C ATOM 207 C ALA A 13 6.769 -6.899 -2.727 1.00 0.00 C ATOM 208 O ALA A 13 5.935 -6.271 -2.069 1.00 0.00 O ATOM 209 CB ALA A 13 5.624 -8.366 -4.438 1.00 0.00 C ATOM 0 H ALA A 13 5.163 -8.164 -1.546 1.00 0.00 H new ATOM 0 HA ALA A 13 7.354 -8.898 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.210 -7.947 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.360 -9.397 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.715 -7.780 -4.305 1.00 0.00 H new ATOM 215 N THR A 14 7.957 -6.387 -3.054 1.00 0.00 N ATOM 216 CA THR A 14 8.391 -5.066 -2.624 1.00 0.00 C ATOM 217 C THR A 14 9.381 -4.486 -3.624 1.00 0.00 C ATOM 218 O THR A 14 9.861 -5.189 -4.512 1.00 0.00 O ATOM 219 CB THR A 14 8.978 -5.164 -1.198 1.00 0.00 C ATOM 220 OG1 THR A 14 9.578 -3.960 -0.771 1.00 0.00 O ATOM 221 CG2 THR A 14 10.034 -6.261 -1.075 1.00 0.00 C ATOM 0 H THR A 14 8.643 -6.881 -3.625 1.00 0.00 H new ATOM 0 HA THR A 14 7.543 -4.382 -2.590 1.00 0.00 H new ATOM 0 HB THR A 14 8.119 -5.395 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.970 -3.211 -0.947 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.414 -6.287 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.588 -7.225 -1.321 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.855 -6.055 -1.762 1.00 0.00 H new ATOM 229 N LYS A 15 9.646 -3.190 -3.466 1.00 0.00 N ATOM 230 CA LYS A 15 10.543 -2.409 -4.296 1.00 0.00 C ATOM 231 C LYS A 15 11.256 -1.350 -3.452 1.00 0.00 C ATOM 232 O LYS A 15 10.723 -0.879 -2.446 1.00 0.00 O ATOM 233 CB LYS A 15 9.745 -1.758 -5.437 1.00 0.00 C ATOM 234 CG LYS A 15 8.529 -0.963 -4.930 1.00 0.00 C ATOM 235 CD LYS A 15 7.848 -0.154 -6.042 1.00 0.00 C ATOM 236 CE LYS A 15 7.308 -1.052 -7.162 1.00 0.00 C ATOM 237 NZ LYS A 15 6.495 -0.284 -8.119 1.00 0.00 N ATOM 0 H LYS A 15 9.220 -2.638 -2.722 1.00 0.00 H new ATOM 0 HA LYS A 15 11.302 -3.061 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.400 -1.093 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.407 -2.532 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.806 -1.651 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.847 -0.287 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.029 0.427 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.560 0.557 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.140 -1.524 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.707 -1.852 -6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.144 -0.919 -8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.689 0.146 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.077 0.464 -8.547 1.00 0.00 H new ATOM 251 N THR A 16 12.466 -0.980 -3.881 1.00 0.00 N ATOM 252 CA THR A 16 13.271 0.066 -3.269 1.00 0.00 C ATOM 253 C THR A 16 12.943 1.353 -4.019 1.00 0.00 C ATOM 254 O THR A 16 13.534 1.626 -5.060 1.00 0.00 O ATOM 255 CB THR A 16 14.760 -0.301 -3.364 1.00 0.00 C ATOM 256 OG1 THR A 16 14.967 -1.577 -2.793 1.00 0.00 O ATOM 257 CG2 THR A 16 15.631 0.704 -2.605 1.00 0.00 C ATOM 0 H THR A 16 12.919 -1.415 -4.685 1.00 0.00 H new ATOM 0 HA THR A 16 13.052 0.190 -2.208 1.00 0.00 H new ATOM 0 HB THR A 16 15.038 -0.293 -4.418 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.916 -1.813 -2.855 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.679 0.416 -2.692 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.492 1.699 -3.028 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.343 0.714 -1.554 1.00 0.00 H new ATOM 265 N CYS A 17 11.969 2.118 -3.524 1.00 0.00 N ATOM 266 CA CYS A 17 11.554 3.348 -4.181 1.00 0.00 C ATOM 267 C CYS A 17 12.358 4.528 -3.646 1.00 0.00 C ATOM 268 O CYS A 17 13.134 4.389 -2.699 1.00 0.00 O ATOM 269 CB CYS A 17 10.067 3.580 -3.962 1.00 0.00 C ATOM 270 SG CYS A 17 9.258 4.529 -5.264 1.00 0.00 S ATOM 0 H CYS A 17 11.455 1.903 -2.669 1.00 0.00 H new ATOM 0 HA CYS A 17 11.741 3.256 -5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.571 2.614 -3.873 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.929 4.098 -3.013 1.00 0.00 H new ATOM 275 N VAL A 18 12.127 5.711 -4.212 1.00 0.00 N ATOM 276 CA VAL A 18 12.773 6.942 -3.795 1.00 0.00 C ATOM 277 C VAL A 18 12.012 7.488 -2.586 1.00 0.00 C ATOM 278 O VAL A 18 12.585 7.600 -1.502 1.00 0.00 O ATOM 279 CB VAL A 18 12.796 7.941 -4.968 1.00 0.00 C ATOM 280 CG1 VAL A 18 13.448 9.266 -4.550 1.00 0.00 C ATOM 281 CG2 VAL A 18 13.576 7.360 -6.155 1.00 0.00 C ATOM 0 H VAL A 18 11.474 5.837 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 18 13.809 6.766 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 18 11.762 8.125 -5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.451 9.953 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.883 9.706 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 18 14.473 9.082 -4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 18 13.582 8.079 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 18 14.601 7.150 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 18 13.100 6.437 -6.486 1.00 0.00 H new ATOM 291 N GLU A 19 10.712 7.761 -2.775 1.00 0.00 N ATOM 292 CA GLU A 19 9.820 8.364 -1.787 1.00 0.00 C ATOM 293 C GLU A 19 10.048 7.839 -0.381 1.00 0.00 C ATOM 294 O GLU A 19 10.258 6.643 -0.180 1.00 0.00 O ATOM 295 CB GLU A 19 8.344 8.094 -2.112 1.00 0.00 C ATOM 296 CG GLU A 19 7.924 8.630 -3.476 1.00 0.00 C ATOM 297 CD GLU A 19 8.255 10.106 -3.659 1.00 0.00 C ATOM 298 OE1 GLU A 19 7.600 10.922 -2.976 1.00 0.00 O ATOM 299 OE2 GLU A 19 9.171 10.386 -4.463 1.00 0.00 O ATOM 0 H GLU A 19 10.240 7.558 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 19 10.049 9.429 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.161 7.020 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.720 8.548 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.419 8.052 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.851 8.485 -3.604 1.00 0.00 H new ATOM 306 N ASN A 20 9.949 8.752 0.583 1.00 0.00 N ATOM 307 CA ASN A 20 10.052 8.426 1.993 1.00 0.00 C ATOM 308 C ASN A 20 8.802 7.672 2.451 1.00 0.00 C ATOM 309 O ASN A 20 8.846 6.955 3.450 1.00 0.00 O ATOM 310 CB ASN A 20 10.215 9.710 2.811 1.00 0.00 C ATOM 311 CG ASN A 20 10.377 9.383 4.293 1.00 0.00 C ATOM 312 OD1 ASN A 20 11.342 8.731 4.681 1.00 0.00 O ATOM 313 ND2 ASN A 20 9.446 9.821 5.135 1.00 0.00 N ATOM 0 H ASN A 20 9.794 9.744 0.401 1.00 0.00 H new ATOM 0 HA ASN A 20 10.924 7.790 2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.084 10.265 2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.346 10.353 2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.523 9.617 6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.655 10.361 4.785 1.00 0.00 H new ATOM 320 N THR A 21 7.691 7.843 1.727 1.00 0.00 N ATOM 321 CA THR A 21 6.398 7.296 2.082 1.00 0.00 C ATOM 322 C THR A 21 6.009 6.145 1.162 1.00 0.00 C ATOM 323 O THR A 21 6.548 5.991 0.063 1.00 0.00 O ATOM 324 CB THR A 21 5.377 8.436 1.979 1.00 0.00 C ATOM 325 OG1 THR A 21 5.632 9.187 0.804 1.00 0.00 O ATOM 326 CG2 THR A 21 5.485 9.367 3.189 1.00 0.00 C ATOM 0 H THR A 21 7.676 8.380 0.860 1.00 0.00 H new ATOM 0 HA THR A 21 6.429 6.892 3.094 1.00 0.00 H new ATOM 0 HB THR A 21 4.376 8.005 1.947 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.980 9.916 0.734 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.753 10.169 3.097 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.292 8.802 4.101 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.487 9.794 3.231 1.00 0.00 H new ATOM 334 N CYS A 22 5.050 5.344 1.626 1.00 0.00 N ATOM 335 CA CYS A 22 4.471 4.242 0.894 1.00 0.00 C ATOM 336 C CYS A 22 2.999 4.185 1.273 1.00 0.00 C ATOM 337 O CYS A 22 2.640 4.539 2.395 1.00 0.00 O ATOM 338 CB CYS A 22 5.071 2.906 1.311 1.00 0.00 C ATOM 339 SG CYS A 22 6.857 2.764 1.550 1.00 0.00 S ATOM 0 H CYS A 22 4.648 5.457 2.556 1.00 0.00 H new ATOM 0 HA CYS A 22 4.649 4.399 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.593 2.611 2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.783 2.171 0.560 1.00 0.00 H new ATOM 344 N TYR A 23 2.162 3.718 0.357 1.00 0.00 N ATOM 345 CA TYR A 23 0.748 3.499 0.605 1.00 0.00 C ATOM 346 C TYR A 23 0.394 2.029 0.664 1.00 0.00 C ATOM 347 O TYR A 23 1.099 1.155 0.140 1.00 0.00 O ATOM 348 CB TYR A 23 -0.129 4.121 -0.478 1.00 0.00 C ATOM 349 CG TYR A 23 -0.097 3.447 -1.850 1.00 0.00 C ATOM 350 CD1 TYR A 23 -1.018 2.424 -2.153 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.771 3.898 -2.860 1.00 0.00 C ATOM 352 CE1 TYR A 23 -1.111 1.904 -3.457 1.00 0.00 C ATOM 353 CE2 TYR A 23 0.644 3.418 -4.175 1.00 0.00 C ATOM 354 CZ TYR A 23 -0.305 2.428 -4.479 1.00 0.00 C ATOM 355 OH TYR A 23 -0.420 1.973 -5.759 1.00 0.00 O ATOM 0 H TYR A 23 2.452 3.478 -0.591 1.00 0.00 H new ATOM 0 HA TYR A 23 0.559 3.972 1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -1.160 4.124 -0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.168 5.162 -0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.659 2.035 -1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.540 4.618 -2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.802 1.102 -3.671 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.279 3.812 -4.955 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.168 1.342 -5.816 1.00 0.00 H new ATOM 365 N LYS A 24 -0.778 1.824 1.261 1.00 0.00 N ATOM 366 CA LYS A 24 -1.503 0.573 1.268 1.00 0.00 C ATOM 367 C LYS A 24 -2.929 0.939 0.841 1.00 0.00 C ATOM 368 O LYS A 24 -3.503 1.915 1.332 1.00 0.00 O ATOM 369 CB LYS A 24 -1.395 -0.165 2.610 1.00 0.00 C ATOM 370 CG LYS A 24 -2.128 0.495 3.783 1.00 0.00 C ATOM 371 CD LYS A 24 -1.900 -0.324 5.062 1.00 0.00 C ATOM 372 CE LYS A 24 -0.595 0.081 5.752 1.00 0.00 C ATOM 373 NZ LYS A 24 0.012 -1.061 6.461 1.00 0.00 N ATOM 0 H LYS A 24 -1.262 2.562 1.773 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.083 -0.157 0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.784 -1.175 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.341 -0.260 2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.767 1.514 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.194 0.561 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.737 -0.177 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.871 -1.386 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.106 0.467 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.790 0.889 6.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.009 -0.850 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.500 -1.229 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.045 -1.910 5.863 1.00 0.00 H new ATOM 387 N MET A 25 -3.445 0.214 -0.150 1.00 0.00 N ATOM 388 CA MET A 25 -4.727 0.426 -0.803 1.00 0.00 C ATOM 389 C MET A 25 -5.689 -0.713 -0.481 1.00 0.00 C ATOM 390 O MET A 25 -5.311 -1.885 -0.511 1.00 0.00 O ATOM 391 CB MET A 25 -4.444 0.549 -2.290 1.00 0.00 C ATOM 392 CG MET A 25 -5.637 0.786 -3.217 1.00 0.00 C ATOM 393 SD MET A 25 -5.071 1.169 -4.897 1.00 0.00 S ATOM 394 CE MET A 25 -6.535 0.786 -5.876 1.00 0.00 C ATOM 0 H MET A 25 -2.945 -0.585 -0.539 1.00 0.00 H new ATOM 0 HA MET A 25 -5.216 1.333 -0.447 1.00 0.00 H new ATOM 0 HB2 MET A 25 -3.739 1.368 -2.432 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.942 -0.363 -2.614 1.00 0.00 H new ATOM 0 HG2 MET A 25 -6.273 -0.099 -3.234 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.244 1.607 -2.835 1.00 0.00 H new ATOM 0 HE1 MET A 25 -6.271 0.769 -6.933 1.00 0.00 H new ATOM 0 HE2 MET A 25 -6.924 -0.189 -5.583 1.00 0.00 H new ATOM 0 HE3 MET A 25 -7.297 1.547 -5.704 1.00 0.00 H new ATOM 404 N PHE A 26 -6.943 -0.371 -0.190 1.00 0.00 N ATOM 405 CA PHE A 26 -7.985 -1.290 0.239 1.00 0.00 C ATOM 406 C PHE A 26 -9.328 -0.851 -0.329 1.00 0.00 C ATOM 407 O PHE A 26 -9.484 0.290 -0.767 1.00 0.00 O ATOM 408 CB PHE A 26 -8.046 -1.279 1.774 1.00 0.00 C ATOM 409 CG PHE A 26 -7.971 0.114 2.375 1.00 0.00 C ATOM 410 CD1 PHE A 26 -9.123 0.915 2.501 1.00 0.00 C ATOM 411 CD2 PHE A 26 -6.709 0.678 2.635 1.00 0.00 C ATOM 412 CE1 PHE A 26 -9.026 2.206 3.051 1.00 0.00 C ATOM 413 CE2 PHE A 26 -6.608 2.025 3.007 1.00 0.00 C ATOM 414 CZ PHE A 26 -7.763 2.771 3.286 1.00 0.00 C ATOM 0 H PHE A 26 -7.269 0.593 -0.250 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.763 -2.295 -0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.972 -1.755 2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -7.225 -1.880 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.081 0.538 2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.818 0.073 2.548 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.921 2.761 3.292 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.637 2.491 3.079 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.681 3.774 3.679 1.00 0.00 H new ATOM 424 N ILE A 27 -10.305 -1.760 -0.334 1.00 0.00 N ATOM 425 CA ILE A 27 -11.651 -1.417 -0.758 1.00 0.00 C ATOM 426 C ILE A 27 -12.254 -0.598 0.381 1.00 0.00 C ATOM 427 O ILE A 27 -12.208 -1.012 1.536 1.00 0.00 O ATOM 428 CB ILE A 27 -12.467 -2.677 -1.090 1.00 0.00 C ATOM 429 CG1 ILE A 27 -11.813 -3.384 -2.289 1.00 0.00 C ATOM 430 CG2 ILE A 27 -13.916 -2.296 -1.429 1.00 0.00 C ATOM 431 CD1 ILE A 27 -12.535 -4.671 -2.686 1.00 0.00 C ATOM 0 H ILE A 27 -10.184 -2.732 -0.050 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.652 -0.835 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.481 -3.345 -0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.797 -2.704 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.776 -3.615 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.484 -3.197 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.369 -1.792 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.925 -1.628 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.028 -5.125 -3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.528 -5.366 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.565 -4.441 -2.958 1.00 0.00 H new ATOM 443 N ARG A 28 -12.816 0.564 0.054 1.00 0.00 N ATOM 444 CA ARG A 28 -13.368 1.528 0.999 1.00 0.00 C ATOM 445 C ARG A 28 -14.251 0.862 2.052 1.00 0.00 C ATOM 446 O ARG A 28 -14.048 1.019 3.254 1.00 0.00 O ATOM 447 CB ARG A 28 -14.160 2.573 0.205 1.00 0.00 C ATOM 448 CG ARG A 28 -14.474 3.830 1.029 1.00 0.00 C ATOM 449 CD ARG A 28 -15.112 4.917 0.152 1.00 0.00 C ATOM 450 NE ARG A 28 -14.194 5.344 -0.917 1.00 0.00 N ATOM 451 CZ ARG A 28 -13.175 6.202 -0.764 1.00 0.00 C ATOM 452 NH1 ARG A 28 -13.016 6.898 0.365 1.00 0.00 N ATOM 453 NH2 ARG A 28 -12.271 6.343 -1.734 1.00 0.00 N ATOM 0 H ARG A 28 -12.902 0.870 -0.915 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.551 2.002 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.592 2.857 -0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.093 2.129 -0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.149 3.574 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.558 4.212 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.035 4.539 -0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.381 5.775 0.769 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.345 4.956 -1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.677 6.782 1.133 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.233 7.545 0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.355 5.798 -2.592 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.496 6.996 -1.618 1.00 0.00 H new ATOM 467 N THR A 29 -15.232 0.102 1.577 1.00 0.00 N ATOM 468 CA THR A 29 -16.210 -0.583 2.407 1.00 0.00 C ATOM 469 C THR A 29 -15.604 -1.730 3.225 1.00 0.00 C ATOM 470 O THR A 29 -16.257 -2.213 4.149 1.00 0.00 O ATOM 471 CB THR A 29 -17.336 -1.097 1.497 1.00 0.00 C ATOM 472 OG1 THR A 29 -16.789 -1.761 0.373 1.00 0.00 O ATOM 473 CG2 THR A 29 -18.186 0.070 0.985 1.00 0.00 C ATOM 0 H THR A 29 -15.370 -0.057 0.579 1.00 0.00 H new ATOM 0 HA THR A 29 -16.598 0.126 3.138 1.00 0.00 H new ATOM 0 HB THR A 29 -17.951 -1.781 2.081 1.00 0.00 H new ATOM 0 HG1 THR A 29 -17.008 -2.715 0.418 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.979 -0.312 0.342 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.627 0.597 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.558 0.756 0.417 1.00 0.00 H new ATOM 481 N HIS A 30 -14.391 -2.191 2.895 1.00 0.00 N ATOM 482 CA HIS A 30 -13.727 -3.304 3.567 1.00 0.00 C ATOM 483 C HIS A 30 -12.281 -2.896 3.829 1.00 0.00 C ATOM 484 O HIS A 30 -11.339 -3.592 3.451 1.00 0.00 O ATOM 485 CB HIS A 30 -13.835 -4.565 2.692 1.00 0.00 C ATOM 486 CG HIS A 30 -15.214 -4.754 2.113 1.00 0.00 C ATOM 487 ND1 HIS A 30 -16.360 -4.751 2.894 1.00 0.00 N ATOM 488 CD2 HIS A 30 -15.662 -4.776 0.815 1.00 0.00 C ATOM 489 CE1 HIS A 30 -17.411 -4.703 2.061 1.00 0.00 C ATOM 490 NE2 HIS A 30 -17.049 -4.656 0.777 1.00 0.00 N ATOM 0 H HIS A 30 -13.837 -1.790 2.138 1.00 0.00 H new ATOM 0 HA HIS A 30 -14.198 -3.538 4.522 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.110 -4.503 1.881 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.572 -5.439 3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.028 -4.873 -0.054 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -18.439 -4.702 2.393 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -17.649 -4.556 -0.042 1.00 0.00 H new ATOM 498 N ARG A 31 -12.115 -1.747 4.490 1.00 0.00 N ATOM 499 CA ARG A 31 -10.814 -1.157 4.746 1.00 0.00 C ATOM 500 C ARG A 31 -9.861 -2.129 5.447 1.00 0.00 C ATOM 501 O ARG A 31 -8.655 -2.113 5.202 1.00 0.00 O ATOM 502 CB ARG A 31 -11.005 0.178 5.485 1.00 0.00 C ATOM 503 CG ARG A 31 -11.436 0.064 6.960 1.00 0.00 C ATOM 504 CD ARG A 31 -10.324 0.531 7.911 1.00 0.00 C ATOM 505 NE ARG A 31 -9.054 -0.145 7.611 1.00 0.00 N ATOM 506 CZ ARG A 31 -7.917 0.462 7.242 1.00 0.00 C ATOM 507 NH1 ARG A 31 -7.656 1.721 7.612 1.00 0.00 N ATOM 508 NH2 ARG A 31 -7.052 -0.207 6.476 1.00 0.00 N ATOM 0 H ARG A 31 -12.892 -1.201 4.863 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.319 -0.942 3.799 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.069 0.735 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.752 0.765 4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -12.332 0.662 7.125 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.697 -0.970 7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.195 1.610 7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.613 0.327 8.942 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.036 -1.162 7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.327 2.234 8.184 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.786 2.168 7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.262 -1.161 6.183 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.181 0.236 6.184 1.00 0.00 H new ATOM 522 N GLU A 32 -10.389 -3.033 6.274 1.00 0.00 N ATOM 523 CA GLU A 32 -9.631 -4.026 7.025 1.00 0.00 C ATOM 524 C GLU A 32 -9.082 -5.179 6.168 1.00 0.00 C ATOM 525 O GLU A 32 -8.908 -6.294 6.657 1.00 0.00 O ATOM 526 CB GLU A 32 -10.549 -4.560 8.131 1.00 0.00 C ATOM 527 CG GLU A 32 -11.822 -5.197 7.543 1.00 0.00 C ATOM 528 CD GLU A 32 -13.049 -4.304 7.696 1.00 0.00 C ATOM 529 OE1 GLU A 32 -13.096 -3.291 6.965 1.00 0.00 O ATOM 530 OE2 GLU A 32 -13.907 -4.642 8.539 1.00 0.00 O ATOM 0 H GLU A 32 -11.393 -3.093 6.443 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.744 -3.541 7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.012 -5.298 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.824 -3.747 8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.662 -5.411 6.486 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.008 -6.151 8.036 1.00 0.00 H new ATOM 537 N TYR A 33 -8.804 -4.915 4.897 1.00 0.00 N ATOM 538 CA TYR A 33 -8.247 -5.864 3.951 1.00 0.00 C ATOM 539 C TYR A 33 -7.446 -5.094 2.903 1.00 0.00 C ATOM 540 O TYR A 33 -8.008 -4.371 2.080 1.00 0.00 O ATOM 541 CB TYR A 33 -9.358 -6.698 3.303 1.00 0.00 C ATOM 542 CG TYR A 33 -8.798 -7.847 2.489 1.00 0.00 C ATOM 543 CD1 TYR A 33 -8.346 -9.002 3.152 1.00 0.00 C ATOM 544 CD2 TYR A 33 -8.586 -7.708 1.104 1.00 0.00 C ATOM 545 CE1 TYR A 33 -7.687 -10.016 2.437 1.00 0.00 C ATOM 546 CE2 TYR A 33 -7.939 -8.731 0.386 1.00 0.00 C ATOM 547 CZ TYR A 33 -7.480 -9.878 1.055 1.00 0.00 C ATOM 548 OH TYR A 33 -6.830 -10.857 0.366 1.00 0.00 O ATOM 0 H TYR A 33 -8.968 -3.997 4.485 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.586 -6.559 4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -10.018 -7.089 4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.964 -6.059 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.506 -9.110 4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.920 -6.817 0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.340 -10.901 2.950 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.795 -8.634 -0.680 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.425 -11.488 0.997 1.00 0.00 H new ATOM 558 N ILE A 34 -6.123 -5.259 2.915 1.00 0.00 N ATOM 559 CA ILE A 34 -5.258 -4.561 1.981 1.00 0.00 C ATOM 560 C ILE A 34 -5.341 -5.305 0.650 1.00 0.00 C ATOM 561 O ILE A 34 -5.070 -6.501 0.565 1.00 0.00 O ATOM 562 CB ILE A 34 -3.827 -4.479 2.528 1.00 0.00 C ATOM 563 CG1 ILE A 34 -3.776 -3.919 3.964 1.00 0.00 C ATOM 564 CG2 ILE A 34 -2.988 -3.602 1.589 1.00 0.00 C ATOM 565 CD1 ILE A 34 -4.528 -2.596 4.169 1.00 0.00 C ATOM 0 H ILE A 34 -5.632 -5.873 3.565 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.577 -3.529 1.836 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.422 -5.490 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.189 -4.664 4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.733 -3.775 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.968 -3.536 1.967 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.977 -4.043 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.422 -2.603 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.435 -2.282 5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.102 -1.831 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.581 -2.734 3.924 1.00 0.00 H new ATOM 577 N SER A 35 -5.779 -4.580 -0.377 1.00 0.00 N ATOM 578 CA SER A 35 -6.020 -5.083 -1.715 1.00 0.00 C ATOM 579 C SER A 35 -4.810 -4.858 -2.622 1.00 0.00 C ATOM 580 O SER A 35 -4.527 -5.710 -3.460 1.00 0.00 O ATOM 581 CB SER A 35 -7.259 -4.375 -2.268 1.00 0.00 C ATOM 582 OG SER A 35 -8.348 -4.523 -1.370 1.00 0.00 O ATOM 0 H SER A 35 -5.982 -3.584 -0.289 1.00 0.00 H new ATOM 0 HA SER A 35 -6.187 -6.160 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.045 -3.317 -2.421 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.521 -4.791 -3.241 1.00 0.00 H new ATOM 0 HG SER A 35 -9.085 -4.983 -1.823 1.00 0.00 H new ATOM 588 N GLU A 36 -4.108 -3.730 -2.470 1.00 0.00 N ATOM 589 CA GLU A 36 -2.934 -3.357 -3.257 1.00 0.00 C ATOM 590 C GLU A 36 -2.024 -2.531 -2.343 1.00 0.00 C ATOM 591 O GLU A 36 -2.463 -2.113 -1.277 1.00 0.00 O ATOM 592 CB GLU A 36 -3.408 -2.578 -4.505 1.00 0.00 C ATOM 593 CG GLU A 36 -2.296 -1.902 -5.330 1.00 0.00 C ATOM 594 CD GLU A 36 -2.842 -1.011 -6.441 1.00 0.00 C ATOM 595 OE1 GLU A 36 -3.750 -1.478 -7.161 1.00 0.00 O ATOM 596 OE2 GLU A 36 -2.333 0.129 -6.541 1.00 0.00 O ATOM 0 H GLU A 36 -4.352 -3.029 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.370 -4.218 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.952 -3.264 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.116 -1.813 -4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.670 -1.305 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.657 -2.669 -5.767 1.00 0.00 H new ATOM 603 N ARG A 37 -0.771 -2.296 -2.734 1.00 0.00 N ATOM 604 CA ARG A 37 0.182 -1.450 -2.030 1.00 0.00 C ATOM 605 C ARG A 37 1.065 -0.763 -3.055 1.00 0.00 C ATOM 606 O ARG A 37 1.089 -1.178 -4.214 1.00 0.00 O ATOM 607 CB ARG A 37 1.074 -2.287 -1.114 1.00 0.00 C ATOM 608 CG ARG A 37 0.471 -2.471 0.273 1.00 0.00 C ATOM 609 CD ARG A 37 0.767 -3.865 0.814 1.00 0.00 C ATOM 610 NE ARG A 37 0.098 -4.883 -0.007 1.00 0.00 N ATOM 611 CZ ARG A 37 -0.761 -5.811 0.425 1.00 0.00 C ATOM 612 NH1 ARG A 37 -0.900 -6.114 1.722 1.00 0.00 N ATOM 613 NH2 ARG A 37 -1.479 -6.450 -0.499 1.00 0.00 N ATOM 0 H ARG A 37 -0.381 -2.707 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.366 -0.724 -1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.241 -3.264 -1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.049 -1.807 -1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.874 -1.720 0.952 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.607 -2.315 0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 37 1.843 -4.040 0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.428 -3.941 1.847 1.00 0.00 H new ATOM 0 HE ARG A 37 0.310 -4.881 -1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.338 -5.629 2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.568 -6.829 2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.359 -6.222 -1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.148 -7.167 -0.219 1.00 0.00 H new ATOM 627 N GLY A 38 1.799 0.267 -2.630 1.00 0.00 N ATOM 628 CA GLY A 38 2.731 0.908 -3.547 1.00 0.00 C ATOM 629 C GLY A 38 3.548 2.037 -2.929 1.00 0.00 C ATOM 630 O GLY A 38 3.378 2.396 -1.766 1.00 0.00 O ATOM 0 H GLY A 38 1.767 0.661 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.414 0.154 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.173 1.303 -4.396 1.00 0.00 H new ATOM 634 N CYS A 39 4.455 2.579 -3.744 1.00 0.00 N ATOM 635 CA CYS A 39 5.375 3.650 -3.388 1.00 0.00 C ATOM 636 C CYS A 39 4.662 4.994 -3.268 1.00 0.00 C ATOM 637 O CYS A 39 3.715 5.253 -4.010 1.00 0.00 O ATOM 638 CB CYS A 39 6.456 3.733 -4.463 1.00 0.00 C ATOM 639 SG CYS A 39 7.538 5.166 -4.304 1.00 0.00 S ATOM 0 H CYS A 39 4.570 2.268 -4.709 1.00 0.00 H new ATOM 0 HA CYS A 39 5.812 3.427 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 39 7.061 2.827 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.979 3.758 -5.443 1.00 0.00 H new ATOM 644 N GLY A 40 5.126 5.864 -2.361 1.00 0.00 N ATOM 645 CA GLY A 40 4.493 7.150 -2.132 1.00 0.00 C ATOM 646 C GLY A 40 3.046 6.909 -1.714 1.00 0.00 C ATOM 647 O GLY A 40 2.761 5.919 -1.054 1.00 0.00 O ATOM 0 H GLY A 40 5.943 5.690 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.025 7.701 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.530 7.757 -3.037 1.00 0.00 H new ATOM 651 N CYS A 41 2.129 7.802 -2.077 1.00 0.00 N ATOM 652 CA CYS A 41 0.723 7.710 -1.739 1.00 0.00 C ATOM 653 C CYS A 41 -0.202 8.528 -2.648 1.00 0.00 C ATOM 654 O CYS A 41 -0.427 9.708 -2.385 1.00 0.00 O ATOM 655 CB CYS A 41 0.587 8.184 -0.301 1.00 0.00 C ATOM 656 SG CYS A 41 -0.972 7.696 0.460 1.00 0.00 S ATOM 0 H CYS A 41 2.356 8.629 -2.629 1.00 0.00 H new ATOM 0 HA CYS A 41 0.407 6.676 -1.875 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.413 7.783 0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.674 9.270 -0.273 1.00 0.00 H new ATOM 661 N PRO A 42 -0.741 7.934 -3.723 1.00 0.00 N ATOM 662 CA PRO A 42 -1.701 8.590 -4.587 1.00 0.00 C ATOM 663 C PRO A 42 -3.111 8.398 -4.031 1.00 0.00 C ATOM 664 O PRO A 42 -3.348 7.603 -3.118 1.00 0.00 O ATOM 665 CB PRO A 42 -1.561 7.903 -5.943 1.00 0.00 C ATOM 666 CG PRO A 42 -1.190 6.468 -5.559 1.00 0.00 C ATOM 667 CD PRO A 42 -0.446 6.605 -4.226 1.00 0.00 C ATOM 0 HA PRO A 42 -1.525 9.663 -4.662 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.489 7.942 -6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.790 8.370 -6.556 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.077 5.843 -5.455 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.561 6.004 -6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.772 5.842 -3.520 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.627 6.472 -4.365 1.00 0.00 H new ATOM 675 N THR A 43 -4.061 9.125 -4.607 1.00 0.00 N ATOM 676 CA THR A 43 -5.465 9.031 -4.260 1.00 0.00 C ATOM 677 C THR A 43 -6.076 7.781 -4.895 1.00 0.00 C ATOM 678 O THR A 43 -5.533 7.214 -5.842 1.00 0.00 O ATOM 679 CB THR A 43 -6.177 10.304 -4.749 1.00 0.00 C ATOM 680 OG1 THR A 43 -5.414 10.926 -5.772 1.00 0.00 O ATOM 681 CG2 THR A 43 -6.342 11.276 -3.582 1.00 0.00 C ATOM 0 H THR A 43 -3.869 9.807 -5.341 1.00 0.00 H new ATOM 0 HA THR A 43 -5.583 8.948 -3.180 1.00 0.00 H new ATOM 0 HB THR A 43 -7.156 10.033 -5.145 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.716 11.482 -5.367 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.846 12.178 -3.928 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.936 10.806 -2.798 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.361 11.538 -3.186 1.00 0.00 H new ATOM 689 N ALA A 44 -7.225 7.365 -4.364 1.00 0.00 N ATOM 690 CA ALA A 44 -7.987 6.228 -4.849 1.00 0.00 C ATOM 691 C ALA A 44 -9.446 6.498 -4.497 1.00 0.00 C ATOM 692 O ALA A 44 -9.740 6.869 -3.361 1.00 0.00 O ATOM 693 CB ALA A 44 -7.471 4.934 -4.217 1.00 0.00 C ATOM 0 H ALA A 44 -7.658 7.825 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.883 6.102 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.052 4.090 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.422 4.795 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.572 4.993 -3.133 1.00 0.00 H new ATOM 699 N MET A 45 -10.329 6.396 -5.492 1.00 0.00 N ATOM 700 CA MET A 45 -11.747 6.652 -5.368 1.00 0.00 C ATOM 701 C MET A 45 -12.513 5.336 -5.254 1.00 0.00 C ATOM 702 O MET A 45 -12.015 4.279 -5.653 1.00 0.00 O ATOM 703 CB MET A 45 -12.198 7.425 -6.610 1.00 0.00 C ATOM 704 CG MET A 45 -11.441 8.752 -6.748 1.00 0.00 C ATOM 705 SD MET A 45 -12.113 9.911 -7.968 1.00 0.00 S ATOM 706 CE MET A 45 -11.935 8.938 -9.480 1.00 0.00 C ATOM 0 H MET A 45 -10.057 6.122 -6.436 1.00 0.00 H new ATOM 0 HA MET A 45 -11.948 7.235 -4.469 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.034 6.816 -7.499 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.269 7.620 -6.551 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.425 9.244 -5.775 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.406 8.534 -7.012 1.00 0.00 H new ATOM 0 HE1 MET A 45 -12.256 9.533 -10.335 1.00 0.00 H new ATOM 0 HE2 MET A 45 -10.891 8.652 -9.608 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.551 8.041 -9.410 1.00 0.00 H new ATOM 716 N TRP A 46 -13.735 5.421 -4.715 1.00 0.00 N ATOM 717 CA TRP A 46 -14.633 4.289 -4.552 1.00 0.00 C ATOM 718 C TRP A 46 -14.657 3.483 -5.865 1.00 0.00 C ATOM 719 O TRP A 46 -14.775 4.091 -6.929 1.00 0.00 O ATOM 720 CB TRP A 46 -16.017 4.808 -4.170 1.00 0.00 C ATOM 721 CG TRP A 46 -17.000 3.822 -3.654 1.00 0.00 C ATOM 722 CD1 TRP A 46 -16.784 2.985 -2.632 1.00 0.00 C ATOM 723 CD2 TRP A 46 -18.347 3.552 -4.109 1.00 0.00 C ATOM 724 NE1 TRP A 46 -17.857 2.130 -2.478 1.00 0.00 N ATOM 725 CE2 TRP A 46 -18.871 2.460 -3.359 1.00 0.00 C ATOM 726 CE3 TRP A 46 -19.169 4.129 -5.089 1.00 0.00 C ATOM 727 CZ2 TRP A 46 -20.156 1.948 -3.595 1.00 0.00 C ATOM 728 CZ3 TRP A 46 -20.462 3.630 -5.333 1.00 0.00 C ATOM 729 CH2 TRP A 46 -20.953 2.538 -4.592 1.00 0.00 C ATOM 0 H TRP A 46 -14.128 6.299 -4.376 1.00 0.00 H new ATOM 0 HA TRP A 46 -14.294 3.626 -3.756 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -15.889 5.583 -3.414 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -16.451 5.288 -5.048 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -15.897 2.979 -2.016 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -17.896 1.362 -1.808 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -18.804 4.967 -5.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -20.527 1.113 -3.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -21.080 4.087 -6.092 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -21.943 2.153 -4.790 1.00 0.00 H new ATOM 740 N PRO A 47 -14.535 2.145 -5.843 1.00 0.00 N ATOM 741 CA PRO A 47 -14.572 1.267 -4.682 1.00 0.00 C ATOM 742 C PRO A 47 -13.327 1.289 -3.788 1.00 0.00 C ATOM 743 O PRO A 47 -13.412 0.806 -2.662 1.00 0.00 O ATOM 744 CB PRO A 47 -14.800 -0.133 -5.258 1.00 0.00 C ATOM 745 CG PRO A 47 -14.117 -0.063 -6.621 1.00 0.00 C ATOM 746 CD PRO A 47 -14.439 1.363 -7.064 1.00 0.00 C ATOM 0 HA PRO A 47 -15.358 1.606 -4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -14.361 -0.905 -4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.861 -0.363 -5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -13.043 -0.235 -6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -14.513 -0.805 -7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -13.660 1.754 -7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -15.373 1.397 -7.624 1.00 0.00 H new ATOM 754 N TYR A 48 -12.194 1.847 -4.224 1.00 0.00 N ATOM 755 CA TYR A 48 -10.965 1.807 -3.435 1.00 0.00 C ATOM 756 C TYR A 48 -10.702 3.079 -2.649 1.00 0.00 C ATOM 757 O TYR A 48 -11.280 4.128 -2.913 1.00 0.00 O ATOM 758 CB TYR A 48 -9.765 1.580 -4.359 1.00 0.00 C ATOM 759 CG TYR A 48 -9.729 0.184 -4.945 1.00 0.00 C ATOM 760 CD1 TYR A 48 -9.314 -0.898 -4.148 1.00 0.00 C ATOM 761 CD2 TYR A 48 -10.155 -0.044 -6.267 1.00 0.00 C ATOM 762 CE1 TYR A 48 -9.343 -2.204 -4.665 1.00 0.00 C ATOM 763 CE2 TYR A 48 -10.167 -1.349 -6.788 1.00 0.00 C ATOM 764 CZ TYR A 48 -9.765 -2.430 -5.984 1.00 0.00 C ATOM 765 OH TYR A 48 -9.785 -3.700 -6.476 1.00 0.00 O ATOM 0 H TYR A 48 -12.105 2.330 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.096 0.992 -2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.794 2.308 -5.169 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.845 1.759 -3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.973 -0.725 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.473 0.785 -6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.040 -3.036 -4.046 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.485 -1.522 -7.806 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.103 -3.687 -7.403 1.00 0.00 H new ATOM 775 N GLN A 49 -9.784 2.955 -1.692 1.00 0.00 N ATOM 776 CA GLN A 49 -9.204 4.047 -0.937 1.00 0.00 C ATOM 777 C GLN A 49 -7.789 3.603 -0.570 1.00 0.00 C ATOM 778 O GLN A 49 -7.495 2.415 -0.443 1.00 0.00 O ATOM 779 CB GLN A 49 -10.020 4.366 0.314 1.00 0.00 C ATOM 780 CG GLN A 49 -9.517 5.539 1.175 1.00 0.00 C ATOM 781 CD GLN A 49 -9.354 6.854 0.415 1.00 0.00 C ATOM 782 OE1 GLN A 49 -10.322 7.424 -0.078 1.00 0.00 O ATOM 783 NE2 GLN A 49 -8.132 7.368 0.325 1.00 0.00 N ATOM 0 H GLN A 49 -9.412 2.046 -1.415 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.195 4.963 -1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.044 4.580 0.009 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.053 3.473 0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.213 5.694 1.999 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.558 5.266 1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.341 6.878 0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.985 8.253 -0.161 1.00 0.00 H new ATOM 792 N THR A 50 -6.923 4.592 -0.443 1.00 0.00 N ATOM 793 CA THR A 50 -5.520 4.501 -0.078 1.00 0.00 C ATOM 794 C THR A 50 -5.282 5.151 1.281 1.00 0.00 C ATOM 795 O THR A 50 -5.966 6.112 1.636 1.00 0.00 O ATOM 796 CB THR A 50 -4.660 5.227 -1.130 1.00 0.00 C ATOM 797 OG1 THR A 50 -5.381 6.278 -1.746 1.00 0.00 O ATOM 798 CG2 THR A 50 -4.186 4.254 -2.205 1.00 0.00 C ATOM 0 H THR A 50 -7.206 5.558 -0.606 1.00 0.00 H new ATOM 0 HA THR A 50 -5.244 3.448 -0.031 1.00 0.00 H new ATOM 0 HB THR A 50 -3.798 5.645 -0.610 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.766 6.833 -2.270 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.581 4.788 -2.938 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.589 3.467 -1.745 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.050 3.811 -2.701 1.00 0.00 H new ATOM 806 N GLU A 51 -4.311 4.627 2.032 1.00 0.00 N ATOM 807 CA GLU A 51 -3.826 5.234 3.264 1.00 0.00 C ATOM 808 C GLU A 51 -2.302 5.110 3.213 1.00 0.00 C ATOM 809 O GLU A 51 -1.778 4.110 2.716 1.00 0.00 O ATOM 810 CB GLU A 51 -4.497 4.636 4.503 1.00 0.00 C ATOM 811 CG GLU A 51 -3.883 3.298 4.889 1.00 0.00 C ATOM 812 CD GLU A 51 -4.749 2.509 5.866 1.00 0.00 C ATOM 813 OE1 GLU A 51 -5.355 3.147 6.754 1.00 0.00 O ATOM 814 OE2 GLU A 51 -4.813 1.273 5.699 1.00 0.00 O ATOM 0 H GLU A 51 -3.836 3.756 1.794 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.093 6.288 3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.406 5.332 5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.562 4.505 4.312 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.724 2.703 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.903 3.468 5.335 1.00 0.00 H new ATOM 821 N CYS A 52 -1.606 6.156 3.659 1.00 0.00 N ATOM 822 CA CYS A 52 -0.164 6.276 3.573 1.00 0.00 C ATOM 823 C CYS A 52 0.519 5.871 4.879 1.00 0.00 C ATOM 824 O CYS A 52 -0.119 5.803 5.927 1.00 0.00 O ATOM 825 CB CYS A 52 0.200 7.741 3.296 1.00 0.00 C ATOM 826 SG CYS A 52 -0.907 8.729 2.255 1.00 0.00 S ATOM 0 H CYS A 52 -2.049 6.961 4.101 1.00 0.00 H new ATOM 0 HA CYS A 52 0.174 5.615 2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.289 8.247 4.257 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.188 7.755 2.835 1.00 0.00 H new ATOM 831 N CYS A 53 1.835 5.666 4.816 1.00 0.00 N ATOM 832 CA CYS A 53 2.713 5.410 5.948 1.00 0.00 C ATOM 833 C CYS A 53 4.133 5.759 5.516 1.00 0.00 C ATOM 834 O CYS A 53 4.394 5.951 4.326 1.00 0.00 O ATOM 835 CB CYS A 53 2.629 3.955 6.427 1.00 0.00 C ATOM 836 SG CYS A 53 3.211 2.710 5.254 1.00 0.00 S ATOM 0 H CYS A 53 2.338 5.675 3.929 1.00 0.00 H new ATOM 0 HA CYS A 53 2.404 6.024 6.794 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.207 3.860 7.346 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.592 3.734 6.679 1.00 0.00 H new ATOM 841 N LYS A 54 5.039 5.876 6.488 1.00 0.00 N ATOM 842 CA LYS A 54 6.445 6.147 6.310 1.00 0.00 C ATOM 843 C LYS A 54 7.208 5.051 7.052 1.00 0.00 C ATOM 844 O LYS A 54 6.724 4.559 8.071 1.00 0.00 O ATOM 845 CB LYS A 54 6.770 7.537 6.868 1.00 0.00 C ATOM 846 CG LYS A 54 6.113 7.841 8.223 1.00 0.00 C ATOM 847 CD LYS A 54 6.628 9.176 8.773 1.00 0.00 C ATOM 848 CE LYS A 54 5.966 9.488 10.120 1.00 0.00 C ATOM 849 NZ LYS A 54 6.446 10.766 10.673 1.00 0.00 N ATOM 0 H LYS A 54 4.785 5.777 7.471 1.00 0.00 H new ATOM 0 HA LYS A 54 6.729 6.145 5.258 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.851 7.631 6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.453 8.289 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.030 7.880 8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.331 7.040 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.711 9.134 8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.417 9.975 8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.884 9.528 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.176 8.683 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.979 10.947 11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.475 10.718 10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.224 11.536 10.011 1.00 0.00 H new ATOM 863 N GLY A 55 8.384 4.678 6.546 1.00 0.00 N ATOM 864 CA GLY A 55 9.227 3.643 7.126 1.00 0.00 C ATOM 865 C GLY A 55 9.413 2.495 6.142 1.00 0.00 C ATOM 866 O GLY A 55 8.556 2.224 5.297 1.00 0.00 O ATOM 0 H GLY A 55 8.781 5.098 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.197 4.062 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.776 3.272 8.046 1.00 0.00 H new ATOM 870 N ASP A 56 10.558 1.821 6.248 1.00 0.00 N ATOM 871 CA ASP A 56 10.919 0.748 5.343 1.00 0.00 C ATOM 872 C ASP A 56 9.894 -0.368 5.466 1.00 0.00 C ATOM 873 O ASP A 56 9.650 -0.877 6.556 1.00 0.00 O ATOM 874 CB ASP A 56 12.355 0.295 5.613 1.00 0.00 C ATOM 875 CG ASP A 56 13.325 1.284 4.976 1.00 0.00 C ATOM 876 OD1 ASP A 56 13.393 1.282 3.726 1.00 0.00 O ATOM 877 OD2 ASP A 56 13.912 2.090 5.731 1.00 0.00 O ATOM 0 H ASP A 56 11.257 2.009 6.967 1.00 0.00 H new ATOM 0 HA ASP A 56 10.901 1.088 4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.533 0.234 6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.516 -0.703 5.206 1.00 0.00 H new ATOM 882 N ARG A 57 9.279 -0.690 4.327 1.00 0.00 N ATOM 883 CA ARG A 57 8.194 -1.643 4.156 1.00 0.00 C ATOM 884 C ARG A 57 7.071 -1.429 5.184 1.00 0.00 C ATOM 885 O ARG A 57 6.427 -2.386 5.607 1.00 0.00 O ATOM 886 CB ARG A 57 8.732 -3.084 4.131 1.00 0.00 C ATOM 887 CG ARG A 57 9.370 -3.602 5.428 1.00 0.00 C ATOM 888 CD ARG A 57 9.358 -5.132 5.395 1.00 0.00 C ATOM 889 NE ARG A 57 10.023 -5.716 6.563 1.00 0.00 N ATOM 890 CZ ARG A 57 9.884 -6.991 6.954 1.00 0.00 C ATOM 891 NH1 ARG A 57 9.047 -7.821 6.318 1.00 0.00 N ATOM 892 NH2 ARG A 57 10.594 -7.435 7.996 1.00 0.00 N ATOM 0 H ARG A 57 9.548 -0.259 3.442 1.00 0.00 H new ATOM 0 HA ARG A 57 7.733 -1.464 3.185 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.911 -3.750 3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.472 -3.158 3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.391 -3.233 5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.818 -3.237 6.294 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.328 -5.485 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.852 -5.478 4.487 1.00 0.00 H new ATOM 0 HE ARG A 57 10.632 -5.112 7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.503 -7.486 5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.954 -8.788 6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.232 -6.806 8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.498 -8.403 8.304 1.00 0.00 H new ATOM 906 N CYS A 58 6.789 -0.173 5.558 1.00 0.00 N ATOM 907 CA CYS A 58 5.727 0.139 6.509 1.00 0.00 C ATOM 908 C CYS A 58 4.351 -0.288 5.997 1.00 0.00 C ATOM 909 O CYS A 58 3.465 -0.627 6.780 1.00 0.00 O ATOM 910 CB CYS A 58 5.707 1.648 6.784 1.00 0.00 C ATOM 911 SG CYS A 58 5.292 2.709 5.370 1.00 0.00 S ATOM 0 H CYS A 58 7.289 0.645 5.210 1.00 0.00 H new ATOM 0 HA CYS A 58 5.937 -0.417 7.423 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.990 1.842 7.582 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.688 1.942 7.158 1.00 0.00 H new ATOM 916 N ASN A 59 4.157 -0.268 4.678 1.00 0.00 N ATOM 917 CA ASN A 59 2.887 -0.535 4.038 1.00 0.00 C ATOM 918 C ASN A 59 2.614 -2.030 3.926 1.00 0.00 C ATOM 919 O ASN A 59 2.490 -2.565 2.828 1.00 0.00 O ATOM 920 CB ASN A 59 2.850 0.167 2.676 1.00 0.00 C ATOM 921 CG ASN A 59 3.907 -0.335 1.699 1.00 0.00 C ATOM 922 OD1 ASN A 59 4.959 -0.824 2.105 1.00 0.00 O ATOM 923 ND2 ASN A 59 3.644 -0.197 0.404 1.00 0.00 N ATOM 0 H ASN A 59 4.904 -0.059 4.016 1.00 0.00 H new ATOM 0 HA ASN A 59 2.085 -0.132 4.656 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.864 0.029 2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.986 1.238 2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.326 -0.502 -0.290 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.760 0.213 0.104 1.00 0.00 H new ATOM 930 N LYS A 60 2.543 -2.697 5.075 1.00 0.00 N ATOM 931 CA LYS A 60 2.200 -4.108 5.143 1.00 0.00 C ATOM 932 C LYS A 60 0.780 -4.307 4.594 1.00 0.00 C ATOM 933 O LYS A 60 0.574 -5.313 3.873 1.00 0.00 O ATOM 934 CB LYS A 60 2.324 -4.595 6.591 1.00 0.00 C ATOM 935 CG LYS A 60 2.114 -6.112 6.675 1.00 0.00 C ATOM 936 CD LYS A 60 2.317 -6.601 8.115 1.00 0.00 C ATOM 937 CE LYS A 60 2.186 -8.126 8.222 1.00 0.00 C ATOM 938 NZ LYS A 60 0.835 -8.592 7.864 1.00 0.00 N ATOM 939 OXT LYS A 60 -0.075 -3.445 4.892 1.00 0.00 O ATOM 0 H LYS A 60 2.722 -2.271 5.984 1.00 0.00 H new ATOM 0 HA LYS A 60 2.885 -4.698 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.308 -4.337 6.983 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.589 -4.086 7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.110 -6.366 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.813 -6.620 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.302 -6.295 8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.584 -6.126 8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.918 -8.599 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.419 -8.439 9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.749 -9.606 8.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.128 -8.061 8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.673 -8.438 6.848 1.00 0.00 H new TER 953 LYS A 60