USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 697 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 0 SER OG : rot 180:sc= 0.0618 USER MOD Set 1.2: A 2 LYS NZ :NH3+ -163:sc= 0.065 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= -0.0531 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.82 USER MOD Single : A -3 GLY N :NH3+ -140:sc= -0.0146 (180deg=-0.662) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= -0.17 (180deg=-0.446) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.0574 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 42 MET CE :methyl -142:sc= -0.801 (180deg=-2.59!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0916 F(o=-0.81,f=-0.092) USER MOD Single : A 47 ASN :FLIP amide:sc= 0.681 F(o=-3.8!,f=0.68) USER MOD Single : A 50 ASN : amide:sc= 0.213 K(o=0.21,f=-4.3!) USER MOD Single : A 51 THR OG1 : rot -53:sc= 0.922 USER MOD Single : A 54 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.6) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.279 K(o=-0.28,f=-1.2) USER MOD Single : A 65 CYS SG : rot 140:sc= 1.07 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0567 X(o=-0.057,f=-0.11) USER MOD Single : A 74 LYS NZ :NH3+ -168:sc= -0.0662 (180deg=-0.282) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.89) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 1.987 5.562 1.975 1.00 0.00 N ATOM 2 CA GLY A -3 3.344 5.102 1.750 1.00 0.00 C ATOM 3 C GLY A -3 4.337 6.244 1.657 1.00 0.00 C ATOM 4 O GLY A -3 4.818 6.591 0.578 1.00 0.00 O ATOM 0 H1 GLY A -3 1.514 4.931 2.653 1.00 0.00 H new ATOM 0 H2 GLY A -3 2.007 6.529 2.358 1.00 0.00 H new ATOM 0 H3 GLY A -3 1.465 5.557 1.075 1.00 0.00 H new ATOM 0 HA2 GLY A -3 3.637 4.435 2.561 1.00 0.00 H new ATOM 0 HA3 GLY A -3 3.379 4.519 0.830 1.00 0.00 H new ATOM 8 N PRO A -2 4.655 6.851 2.810 1.00 0.00 N ATOM 9 CA PRO A -2 5.598 7.971 2.881 1.00 0.00 C ATOM 10 C PRO A -2 7.033 7.540 2.598 1.00 0.00 C ATOM 11 O PRO A -2 7.783 7.207 3.515 1.00 0.00 O ATOM 12 CB PRO A -2 5.461 8.459 4.325 1.00 0.00 C ATOM 13 CG PRO A -2 4.986 7.268 5.084 1.00 0.00 C ATOM 14 CD PRO A -2 4.119 6.490 4.134 1.00 0.00 C ATOM 0 HA PRO A -2 5.379 8.736 2.136 1.00 0.00 H new ATOM 0 HB2 PRO A -2 6.413 8.821 4.712 1.00 0.00 H new ATOM 0 HB3 PRO A -2 4.752 9.284 4.399 1.00 0.00 H new ATOM 0 HG2 PRO A -2 5.826 6.665 5.429 1.00 0.00 H new ATOM 0 HG3 PRO A -2 4.424 7.568 5.969 1.00 0.00 H new ATOM 0 HD2 PRO A -2 4.186 5.417 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A -2 3.069 6.765 4.231 1.00 0.00 H new ATOM 22 N GLY A -1 7.408 7.548 1.323 1.00 0.00 N ATOM 23 CA GLY A -1 8.753 7.156 0.943 1.00 0.00 C ATOM 24 C GLY A -1 8.833 6.676 -0.493 1.00 0.00 C ATOM 25 O GLY A -1 7.881 6.094 -1.014 1.00 0.00 O ATOM 0 H GLY A -1 6.805 7.819 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A -1 9.427 8.002 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.099 6.364 1.607 1.00 0.00 H new ATOM 29 N SER A 0 9.970 6.922 -1.135 1.00 0.00 N ATOM 30 CA SER A 0 10.169 6.516 -2.522 1.00 0.00 C ATOM 31 C SER A 0 11.642 6.230 -2.798 1.00 0.00 C ATOM 32 O SER A 0 12.511 6.561 -1.993 1.00 0.00 O ATOM 33 CB SER A 0 9.662 7.603 -3.471 1.00 0.00 C ATOM 34 OG SER A 0 9.741 8.884 -2.869 1.00 0.00 O ATOM 0 H SER A 0 10.768 7.401 -0.717 1.00 0.00 H new ATOM 0 HA SER A 0 9.601 5.601 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 0 10.250 7.592 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.630 7.393 -3.751 1.00 0.00 H new ATOM 0 HG SER A 0 9.413 9.561 -3.497 1.00 0.00 H new ATOM 40 N MET A 1 11.913 5.614 -3.944 1.00 0.00 N ATOM 41 CA MET A 1 13.281 5.284 -4.329 1.00 0.00 C ATOM 42 C MET A 1 14.080 6.548 -4.630 1.00 0.00 C ATOM 43 O MET A 1 14.116 7.015 -5.769 1.00 0.00 O ATOM 44 CB MET A 1 13.282 4.362 -5.549 1.00 0.00 C ATOM 45 CG MET A 1 12.820 2.947 -5.242 1.00 0.00 C ATOM 46 SD MET A 1 13.084 1.815 -6.621 1.00 0.00 S ATOM 47 CE MET A 1 11.728 2.271 -7.698 1.00 0.00 C ATOM 0 H MET A 1 11.204 5.333 -4.622 1.00 0.00 H new ATOM 0 HA MET A 1 13.753 4.768 -3.493 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.636 4.788 -6.316 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.289 4.324 -5.965 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.353 2.577 -4.366 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.760 2.962 -4.987 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.756 1.656 -8.598 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.782 2.113 -7.179 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.819 3.322 -7.973 1.00 0.00 H new ATOM 57 N LYS A 2 14.720 7.097 -3.604 1.00 0.00 N ATOM 58 CA LYS A 2 15.521 8.306 -3.759 1.00 0.00 C ATOM 59 C LYS A 2 17.009 7.991 -3.646 1.00 0.00 C ATOM 60 O LYS A 2 17.405 7.071 -2.932 1.00 0.00 O ATOM 61 CB LYS A 2 15.126 9.342 -2.703 1.00 0.00 C ATOM 62 CG LYS A 2 13.663 9.745 -2.764 1.00 0.00 C ATOM 63 CD LYS A 2 13.452 10.942 -3.676 1.00 0.00 C ATOM 64 CE LYS A 2 13.019 10.512 -5.069 1.00 0.00 C ATOM 65 NZ LYS A 2 11.543 10.331 -5.160 1.00 0.00 N ATOM 0 H LYS A 2 14.700 6.724 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 2 15.329 8.715 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.343 8.940 -1.713 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.745 10.231 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.068 8.905 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.308 9.983 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.697 11.600 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.375 11.517 -3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.339 11.259 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.516 9.578 -5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.313 9.774 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.202 9.831 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.082 11.261 -5.222 1.00 0.00 H new ATOM 79 N GLU A 3 17.828 8.763 -4.354 1.00 0.00 N ATOM 80 CA GLU A 3 19.272 8.566 -4.332 1.00 0.00 C ATOM 81 C GLU A 3 20.005 9.904 -4.362 1.00 0.00 C ATOM 82 O GLU A 3 19.542 10.864 -4.980 1.00 0.00 O ATOM 83 CB GLU A 3 19.710 7.706 -5.520 1.00 0.00 C ATOM 84 CG GLU A 3 19.497 8.376 -6.867 1.00 0.00 C ATOM 85 CD GLU A 3 18.043 8.370 -7.298 1.00 0.00 C ATOM 86 OE1 GLU A 3 17.434 7.280 -7.319 1.00 0.00 O ATOM 87 OE2 GLU A 3 17.514 9.456 -7.614 1.00 0.00 O ATOM 0 H GLU A 3 17.516 9.530 -4.949 1.00 0.00 H new ATOM 0 HA GLU A 3 19.528 8.052 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 3 20.766 7.459 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.159 6.766 -5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.853 9.405 -6.817 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.098 7.867 -7.621 1.00 0.00 H new ATOM 94 N ILE A 4 21.149 9.961 -3.689 1.00 0.00 N ATOM 95 CA ILE A 4 21.946 11.180 -3.638 1.00 0.00 C ATOM 96 C ILE A 4 23.195 11.058 -4.505 1.00 0.00 C ATOM 97 O ILE A 4 23.865 10.025 -4.502 1.00 0.00 O ATOM 98 CB ILE A 4 22.366 11.518 -2.196 1.00 0.00 C ATOM 99 CG1 ILE A 4 22.897 12.951 -2.119 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.416 10.532 -1.705 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.388 13.057 -2.351 1.00 0.00 C ATOM 0 H ILE A 4 21.545 9.177 -3.171 1.00 0.00 H new ATOM 0 HA ILE A 4 21.318 11.984 -4.022 1.00 0.00 H new ATOM 0 HB ILE A 4 21.491 11.439 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.378 13.562 -2.858 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.660 13.365 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.703 10.784 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.006 9.522 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.293 10.582 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.694 14.101 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 4 24.916 12.473 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.630 12.673 -3.342 1.00 0.00 H new ATOM 113 N ILE A 5 23.502 12.119 -5.243 1.00 0.00 N ATOM 114 CA ILE A 5 24.672 12.131 -6.112 1.00 0.00 C ATOM 115 C ILE A 5 25.471 13.418 -5.940 1.00 0.00 C ATOM 116 O ILE A 5 24.967 14.513 -6.195 1.00 0.00 O ATOM 117 CB ILE A 5 24.276 11.979 -7.592 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.130 10.975 -7.736 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.476 11.543 -8.420 1.00 0.00 C ATOM 120 CD1 ILE A 5 22.697 10.754 -9.168 1.00 0.00 C ATOM 0 H ILE A 5 22.957 12.981 -5.257 1.00 0.00 H new ATOM 0 HA ILE A 5 25.290 11.281 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 5 23.936 12.946 -7.962 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.437 10.021 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.276 11.325 -7.157 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.180 11.440 -9.464 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.265 12.291 -8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 5 25.844 10.586 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 5 21.882 10.031 -9.194 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.359 11.698 -9.596 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.538 10.374 -9.748 1.00 0.00 H new ATOM 132 N LEU A 6 26.720 13.280 -5.509 1.00 0.00 N ATOM 133 CA LEU A 6 27.591 14.432 -5.305 1.00 0.00 C ATOM 134 C LEU A 6 28.535 14.618 -6.489 1.00 0.00 C ATOM 135 O LEU A 6 29.278 13.706 -6.853 1.00 0.00 O ATOM 136 CB LEU A 6 28.398 14.265 -4.016 1.00 0.00 C ATOM 137 CG LEU A 6 29.262 13.007 -3.924 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.709 13.327 -4.262 1.00 0.00 C ATOM 139 CD2 LEU A 6 29.160 12.391 -2.536 1.00 0.00 C ATOM 0 H LEU A 6 27.152 12.381 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 6 26.964 15.320 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.045 15.135 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 6 27.705 14.268 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 6 28.893 12.282 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.308 12.419 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 6 30.767 13.722 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 6 31.091 14.070 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 6 29.781 11.497 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 6 29.502 13.111 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 6 28.123 12.124 -2.332 1.00 0.00 H new ATOM 151 N TYR A 7 28.502 15.805 -7.084 1.00 0.00 N ATOM 152 CA TYR A 7 29.355 16.110 -8.227 1.00 0.00 C ATOM 153 C TYR A 7 30.582 16.906 -7.794 1.00 0.00 C ATOM 154 O TYR A 7 30.489 18.094 -7.484 1.00 0.00 O ATOM 155 CB TYR A 7 28.570 16.894 -9.280 1.00 0.00 C ATOM 156 CG TYR A 7 27.513 16.073 -9.984 1.00 0.00 C ATOM 157 CD1 TYR A 7 26.239 15.938 -9.446 1.00 0.00 C ATOM 158 CD2 TYR A 7 27.789 15.432 -11.185 1.00 0.00 C ATOM 159 CE1 TYR A 7 25.270 15.188 -10.085 1.00 0.00 C ATOM 160 CE2 TYR A 7 26.826 14.681 -11.831 1.00 0.00 C ATOM 161 CZ TYR A 7 25.568 14.562 -11.277 1.00 0.00 C ATOM 162 OH TYR A 7 24.606 13.814 -11.917 1.00 0.00 O ATOM 0 H TYR A 7 27.894 16.571 -6.794 1.00 0.00 H new ATOM 0 HA TYR A 7 29.690 15.168 -8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.094 17.751 -8.803 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.266 17.287 -10.021 1.00 0.00 H new ATOM 0 HD1 TYR A 7 26.002 16.427 -8.513 1.00 0.00 H new ATOM 0 HD2 TYR A 7 28.773 15.522 -11.621 1.00 0.00 H new ATOM 0 HE1 TYR A 7 24.285 15.093 -9.653 1.00 0.00 H new ATOM 0 HE2 TYR A 7 27.057 14.190 -12.765 1.00 0.00 H new ATOM 0 HH TYR A 7 23.719 14.180 -11.716 1.00 0.00 H new ATOM 172 N THR A 8 31.734 16.242 -7.776 1.00 0.00 N ATOM 173 CA THR A 8 32.981 16.885 -7.381 1.00 0.00 C ATOM 174 C THR A 8 34.137 15.892 -7.384 1.00 0.00 C ATOM 175 O THR A 8 33.957 14.716 -7.702 1.00 0.00 O ATOM 176 CB THR A 8 32.867 17.519 -5.981 1.00 0.00 C ATOM 177 OG1 THR A 8 31.700 17.026 -5.314 1.00 0.00 O ATOM 178 CG2 THR A 8 32.800 19.036 -6.078 1.00 0.00 C ATOM 0 H THR A 8 31.829 15.259 -8.031 1.00 0.00 H new ATOM 0 HA THR A 8 33.178 17.669 -8.112 1.00 0.00 H new ATOM 0 HB THR A 8 33.754 17.246 -5.409 1.00 0.00 H new ATOM 0 HG1 THR A 8 31.635 17.432 -4.425 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.720 19.461 -5.078 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.703 19.410 -6.560 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.929 19.325 -6.666 1.00 0.00 H new ATOM 186 N ARG A 9 35.324 16.371 -7.027 1.00 0.00 N ATOM 187 CA ARG A 9 36.510 15.525 -6.989 1.00 0.00 C ATOM 188 C ARG A 9 37.013 15.356 -5.558 1.00 0.00 C ATOM 189 O ARG A 9 36.725 16.163 -4.674 1.00 0.00 O ATOM 190 CB ARG A 9 37.616 16.120 -7.863 1.00 0.00 C ATOM 191 CG ARG A 9 37.778 17.623 -7.700 1.00 0.00 C ATOM 192 CD ARG A 9 36.900 18.387 -8.679 1.00 0.00 C ATOM 193 NE ARG A 9 37.673 18.946 -9.785 1.00 0.00 N ATOM 194 CZ ARG A 9 37.251 19.954 -10.541 1.00 0.00 C ATOM 195 NH1 ARG A 9 36.069 20.509 -10.311 1.00 0.00 N ATOM 196 NH2 ARG A 9 38.011 20.408 -11.529 1.00 0.00 N ATOM 0 H ARG A 9 35.490 17.341 -6.760 1.00 0.00 H new ATOM 0 HA ARG A 9 36.237 14.544 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.561 15.633 -7.621 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.401 15.897 -8.908 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.522 17.909 -6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 9 38.822 17.897 -7.855 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.132 17.721 -9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 9 36.385 19.191 -8.153 1.00 0.00 H new ATOM 0 HE ARG A 9 38.587 18.541 -9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 9 35.482 20.162 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 9 35.747 21.283 -10.893 1.00 0.00 H new ATOM 0 HH21 ARG A 9 38.921 19.983 -11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 9 37.686 21.182 -12.108 1.00 0.00 H new ATOM 210 N PRO A 10 37.781 14.282 -5.324 1.00 0.00 N ATOM 211 CA PRO A 10 38.340 13.983 -4.002 1.00 0.00 C ATOM 212 C PRO A 10 39.427 14.972 -3.594 1.00 0.00 C ATOM 213 O PRO A 10 39.968 14.894 -2.492 1.00 0.00 O ATOM 214 CB PRO A 10 38.931 12.581 -4.176 1.00 0.00 C ATOM 215 CG PRO A 10 39.225 12.473 -5.632 1.00 0.00 C ATOM 216 CD PRO A 10 38.165 13.279 -6.330 1.00 0.00 C ATOM 0 HA PRO A 10 37.587 14.049 -3.217 1.00 0.00 H new ATOM 0 HB2 PRO A 10 39.834 12.455 -3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.228 11.812 -3.856 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.220 12.857 -5.859 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.203 11.433 -5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.548 13.746 -7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.318 12.660 -6.624 1.00 0.00 H new ATOM 224 N ASN A 11 39.741 15.902 -4.490 1.00 0.00 N ATOM 225 CA ASN A 11 40.763 16.907 -4.223 1.00 0.00 C ATOM 226 C ASN A 11 40.269 17.927 -3.202 1.00 0.00 C ATOM 227 O ASN A 11 40.913 18.160 -2.179 1.00 0.00 O ATOM 228 CB ASN A 11 41.162 17.616 -5.519 1.00 0.00 C ATOM 229 CG ASN A 11 42.093 16.779 -6.374 1.00 0.00 C ATOM 230 OD1 ASN A 11 41.680 15.783 -6.969 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.357 17.180 -6.439 1.00 0.00 N ATOM 0 H ASN A 11 39.302 15.980 -5.407 1.00 0.00 H new ATOM 0 HA ASN A 11 41.636 16.401 -3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 11 40.265 17.854 -6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 11 41.647 18.562 -5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.030 16.656 -6.999 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.655 18.012 -5.929 1.00 0.00 H new ATOM 238 N CYS A 12 39.122 18.533 -3.488 1.00 0.00 N ATOM 239 CA CYS A 12 38.540 19.529 -2.596 1.00 0.00 C ATOM 240 C CYS A 12 38.278 18.935 -1.215 1.00 0.00 C ATOM 241 O CYS A 12 37.530 17.970 -1.059 1.00 0.00 O ATOM 242 CB CYS A 12 37.237 20.073 -3.185 1.00 0.00 C ATOM 243 SG CYS A 12 35.978 18.796 -3.510 1.00 0.00 S ATOM 0 H CYS A 12 38.577 18.352 -4.331 1.00 0.00 H new ATOM 0 HA CYS A 12 39.253 20.347 -2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.821 20.812 -2.500 1.00 0.00 H new ATOM 0 HB3 CYS A 12 37.461 20.593 -4.117 1.00 0.00 H new ATOM 248 N PRO A 13 38.907 19.525 -0.188 1.00 0.00 N ATOM 249 CA PRO A 13 38.757 19.072 1.198 1.00 0.00 C ATOM 250 C PRO A 13 37.368 19.362 1.756 1.00 0.00 C ATOM 251 O PRO A 13 36.801 18.551 2.489 1.00 0.00 O ATOM 252 CB PRO A 13 39.816 19.881 1.952 1.00 0.00 C ATOM 253 CG PRO A 13 40.015 21.106 1.127 1.00 0.00 C ATOM 254 CD PRO A 13 39.813 20.681 -0.301 1.00 0.00 C ATOM 0 HA PRO A 13 38.880 17.993 1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.481 20.132 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.744 19.319 2.056 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.305 21.884 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 13 41.014 21.518 1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.374 21.479 -0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.755 20.408 -0.776 1.00 0.00 H new ATOM 262 N TYR A 14 36.825 20.522 1.404 1.00 0.00 N ATOM 263 CA TYR A 14 35.502 20.919 1.871 1.00 0.00 C ATOM 264 C TYR A 14 34.475 19.825 1.595 1.00 0.00 C ATOM 265 O TYR A 14 33.582 19.576 2.405 1.00 0.00 O ATOM 266 CB TYR A 14 35.069 22.222 1.196 1.00 0.00 C ATOM 267 CG TYR A 14 34.652 23.300 2.171 1.00 0.00 C ATOM 268 CD1 TYR A 14 33.731 23.035 3.177 1.00 0.00 C ATOM 269 CD2 TYR A 14 35.178 24.583 2.086 1.00 0.00 C ATOM 270 CE1 TYR A 14 33.346 24.017 4.069 1.00 0.00 C ATOM 271 CE2 TYR A 14 34.800 25.570 2.975 1.00 0.00 C ATOM 272 CZ TYR A 14 33.884 25.282 3.964 1.00 0.00 C ATOM 273 OH TYR A 14 33.504 26.263 4.852 1.00 0.00 O ATOM 0 H TYR A 14 37.280 21.204 0.797 1.00 0.00 H new ATOM 0 HA TYR A 14 35.558 21.076 2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.891 22.595 0.585 1.00 0.00 H new ATOM 0 HB3 TYR A 14 34.239 22.013 0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 14 33.309 22.045 3.263 1.00 0.00 H new ATOM 0 HD2 TYR A 14 35.895 24.813 1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 14 32.628 23.795 4.844 1.00 0.00 H new ATOM 0 HE2 TYR A 14 35.220 26.562 2.896 1.00 0.00 H new ATOM 0 HH TYR A 14 33.976 27.096 4.641 1.00 0.00 H new ATOM 283 N CYS A 15 34.610 19.173 0.445 1.00 0.00 N ATOM 284 CA CYS A 15 33.695 18.105 0.059 1.00 0.00 C ATOM 285 C CYS A 15 33.608 17.043 1.152 1.00 0.00 C ATOM 286 O CYS A 15 32.602 16.343 1.273 1.00 0.00 O ATOM 287 CB CYS A 15 34.151 17.465 -1.254 1.00 0.00 C ATOM 288 SG CYS A 15 34.388 18.651 -2.616 1.00 0.00 S ATOM 0 H CYS A 15 35.344 19.366 -0.236 1.00 0.00 H new ATOM 0 HA CYS A 15 32.705 18.540 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 15 35.087 16.935 -1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.415 16.721 -1.558 1.00 0.00 H new ATOM 293 N LYS A 16 34.667 16.930 1.945 1.00 0.00 N ATOM 294 CA LYS A 16 34.712 15.956 3.029 1.00 0.00 C ATOM 295 C LYS A 16 33.482 16.081 3.923 1.00 0.00 C ATOM 296 O LYS A 16 33.000 15.091 4.473 1.00 0.00 O ATOM 297 CB LYS A 16 35.982 16.145 3.861 1.00 0.00 C ATOM 298 CG LYS A 16 37.255 15.777 3.118 1.00 0.00 C ATOM 299 CD LYS A 16 38.493 16.187 3.898 1.00 0.00 C ATOM 300 CE LYS A 16 39.638 15.209 3.680 1.00 0.00 C ATOM 301 NZ LYS A 16 39.607 14.091 4.663 1.00 0.00 N ATOM 0 H LYS A 16 35.507 17.502 1.857 1.00 0.00 H new ATOM 0 HA LYS A 16 34.720 14.959 2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 16 36.046 17.185 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.909 15.538 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.276 14.702 2.940 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.261 16.262 2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.803 17.186 3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.255 16.239 4.960 1.00 0.00 H new ATOM 0 HE2 LYS A 16 39.583 14.805 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 16 40.588 15.738 3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.403 13.447 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.685 14.474 5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 38.712 13.570 4.569 1.00 0.00 H new ATOM 315 N ARG A 17 32.980 17.303 4.063 1.00 0.00 N ATOM 316 CA ARG A 17 31.807 17.557 4.891 1.00 0.00 C ATOM 317 C ARG A 17 30.581 16.842 4.331 1.00 0.00 C ATOM 318 O ARG A 17 29.899 16.107 5.045 1.00 0.00 O ATOM 319 CB ARG A 17 31.537 19.060 4.982 1.00 0.00 C ATOM 320 CG ARG A 17 32.308 19.751 6.095 1.00 0.00 C ATOM 321 CD ARG A 17 33.807 19.699 5.849 1.00 0.00 C ATOM 322 NE ARG A 17 34.543 20.562 6.769 1.00 0.00 N ATOM 323 CZ ARG A 17 35.849 20.791 6.676 1.00 0.00 C ATOM 324 NH1 ARG A 17 36.557 20.225 5.709 1.00 0.00 N ATOM 325 NH2 ARG A 17 36.447 21.589 7.551 1.00 0.00 N ATOM 0 H ARG A 17 33.367 18.133 3.614 1.00 0.00 H new ATOM 0 HA ARG A 17 32.007 17.169 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.794 19.525 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.470 19.220 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 17 31.986 20.790 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 17 32.078 19.275 7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 17 34.157 18.672 5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 17 34.017 20.001 4.823 1.00 0.00 H new ATOM 0 HE ARG A 17 34.027 21.014 7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 17 36.100 19.612 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 17 37.559 20.402 5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 17 35.905 22.027 8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 17 37.449 21.764 7.479 1.00 0.00 H new ATOM 339 N ALA A 18 30.308 17.062 3.049 1.00 0.00 N ATOM 340 CA ALA A 18 29.166 16.438 2.393 1.00 0.00 C ATOM 341 C ALA A 18 29.255 14.917 2.466 1.00 0.00 C ATOM 342 O ALA A 18 28.355 14.258 2.986 1.00 0.00 O ATOM 343 CB ALA A 18 29.076 16.894 0.944 1.00 0.00 C ATOM 0 H ALA A 18 30.862 17.668 2.444 1.00 0.00 H new ATOM 0 HA ALA A 18 28.262 16.749 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.219 16.420 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.958 17.977 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.987 16.612 0.417 1.00 0.00 H new ATOM 349 N ARG A 19 30.345 14.367 1.942 1.00 0.00 N ATOM 350 CA ARG A 19 30.550 12.923 1.946 1.00 0.00 C ATOM 351 C ARG A 19 30.430 12.362 3.360 1.00 0.00 C ATOM 352 O ARG A 19 29.924 11.257 3.559 1.00 0.00 O ATOM 353 CB ARG A 19 31.922 12.579 1.364 1.00 0.00 C ATOM 354 CG ARG A 19 33.079 12.930 2.285 1.00 0.00 C ATOM 355 CD ARG A 19 34.418 12.579 1.655 1.00 0.00 C ATOM 356 NE ARG A 19 34.543 13.115 0.302 1.00 0.00 N ATOM 357 CZ ARG A 19 35.402 12.647 -0.597 1.00 0.00 C ATOM 358 NH1 ARG A 19 36.207 11.640 -0.289 1.00 0.00 N ATOM 359 NH2 ARG A 19 35.456 13.187 -1.808 1.00 0.00 N ATOM 0 H ARG A 19 31.100 14.899 1.509 1.00 0.00 H new ATOM 0 HA ARG A 19 29.777 12.469 1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.956 11.512 1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 19 32.049 13.106 0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 19 33.052 13.995 2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.969 12.397 3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 19 35.224 12.970 2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.533 11.495 1.628 1.00 0.00 H new ATOM 0 HE ARG A 19 33.938 13.891 0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.168 11.222 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 19 36.865 11.283 -0.982 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.838 13.962 -2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 19 36.116 12.827 -2.498 1.00 0.00 H new ATOM 373 N ASP A 20 30.898 13.129 4.337 1.00 0.00 N ATOM 374 CA ASP A 20 30.843 12.709 5.733 1.00 0.00 C ATOM 375 C ASP A 20 29.403 12.674 6.233 1.00 0.00 C ATOM 376 O ASP A 20 29.026 11.798 7.013 1.00 0.00 O ATOM 377 CB ASP A 20 31.676 13.650 6.604 1.00 0.00 C ATOM 378 CG ASP A 20 31.452 13.418 8.086 1.00 0.00 C ATOM 379 OD1 ASP A 20 31.440 12.242 8.507 1.00 0.00 O ATOM 380 OD2 ASP A 20 31.289 14.412 8.823 1.00 0.00 O ATOM 0 H ASP A 20 31.320 14.046 4.189 1.00 0.00 H new ATOM 0 HA ASP A 20 31.257 11.703 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.733 13.514 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.427 14.683 6.359 1.00 0.00 H new ATOM 385 N LEU A 21 28.601 13.632 5.781 1.00 0.00 N ATOM 386 CA LEU A 21 27.201 13.712 6.184 1.00 0.00 C ATOM 387 C LEU A 21 26.438 12.465 5.751 1.00 0.00 C ATOM 388 O LEU A 21 25.803 11.797 6.568 1.00 0.00 O ATOM 389 CB LEU A 21 26.548 14.958 5.583 1.00 0.00 C ATOM 390 CG LEU A 21 25.217 15.383 6.203 1.00 0.00 C ATOM 391 CD1 LEU A 21 25.133 16.898 6.302 1.00 0.00 C ATOM 392 CD2 LEU A 21 24.051 14.834 5.393 1.00 0.00 C ATOM 0 H LEU A 21 28.896 14.364 5.135 1.00 0.00 H new ATOM 0 HA LEU A 21 27.164 13.778 7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 21 27.248 15.789 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.391 14.784 4.519 1.00 0.00 H new ATOM 0 HG LEU A 21 25.160 14.970 7.210 1.00 0.00 H new ATOM 0 HD11 LEU A 21 24.179 17.181 6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.947 17.268 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.213 17.333 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.112 15.147 5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.104 15.216 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 21 24.101 13.745 5.375 1.00 0.00 H new ATOM 404 N LEU A 22 26.506 12.154 4.461 1.00 0.00 N ATOM 405 CA LEU A 22 25.823 10.984 3.919 1.00 0.00 C ATOM 406 C LEU A 22 26.347 9.702 4.559 1.00 0.00 C ATOM 407 O LEU A 22 25.570 8.852 4.995 1.00 0.00 O ATOM 408 CB LEU A 22 26.005 10.921 2.401 1.00 0.00 C ATOM 409 CG LEU A 22 25.375 12.062 1.602 1.00 0.00 C ATOM 410 CD1 LEU A 22 24.211 12.671 2.367 1.00 0.00 C ATOM 411 CD2 LEU A 22 26.416 13.124 1.278 1.00 0.00 C ATOM 0 H LEU A 22 27.027 12.695 3.771 1.00 0.00 H new ATOM 0 HA LEU A 22 24.761 11.075 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.073 10.898 2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.587 9.980 2.044 1.00 0.00 H new ATOM 0 HG LEU A 22 24.994 11.656 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.776 13.481 1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.455 11.907 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 22 24.567 13.062 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 22 25.950 13.929 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.827 13.525 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.218 12.680 0.688 1.00 0.00 H new ATOM 423 N ASP A 23 27.668 9.572 4.613 1.00 0.00 N ATOM 424 CA ASP A 23 28.296 8.395 5.203 1.00 0.00 C ATOM 425 C ASP A 23 27.958 8.285 6.687 1.00 0.00 C ATOM 426 O ASP A 23 27.944 7.192 7.252 1.00 0.00 O ATOM 427 CB ASP A 23 29.813 8.452 5.016 1.00 0.00 C ATOM 428 CG ASP A 23 30.550 7.545 5.981 1.00 0.00 C ATOM 429 OD1 ASP A 23 30.730 7.946 7.150 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.948 6.436 5.568 1.00 0.00 O ATOM 0 H ASP A 23 28.324 10.266 4.256 1.00 0.00 H new ATOM 0 HA ASP A 23 27.908 7.513 4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 23 30.061 8.168 3.993 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.155 9.478 5.153 1.00 0.00 H new ATOM 435 N LYS A 24 27.687 9.426 7.313 1.00 0.00 N ATOM 436 CA LYS A 24 27.349 9.459 8.731 1.00 0.00 C ATOM 437 C LYS A 24 25.936 8.935 8.966 1.00 0.00 C ATOM 438 O LYS A 24 25.689 8.190 9.914 1.00 0.00 O ATOM 439 CB LYS A 24 27.472 10.886 9.272 1.00 0.00 C ATOM 440 CG LYS A 24 26.985 11.037 10.702 1.00 0.00 C ATOM 441 CD LYS A 24 25.578 11.609 10.755 1.00 0.00 C ATOM 442 CE LYS A 24 25.597 13.124 10.888 1.00 0.00 C ATOM 443 NZ LYS A 24 25.789 13.555 12.300 1.00 0.00 N ATOM 0 H LYS A 24 27.695 10.340 6.860 1.00 0.00 H new ATOM 0 HA LYS A 24 28.049 8.814 9.261 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.515 11.198 9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.904 11.559 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 24 27.003 10.066 11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.664 11.688 11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.036 11.329 9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.039 11.175 11.598 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.398 13.533 10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 24 24.661 13.534 10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 25.796 14.594 12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 25.011 13.187 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 26.694 13.186 12.656 1.00 0.00 H new ATOM 457 N LYS A 25 25.012 9.327 8.096 1.00 0.00 N ATOM 458 CA LYS A 25 23.624 8.894 8.206 1.00 0.00 C ATOM 459 C LYS A 25 23.485 7.417 7.853 1.00 0.00 C ATOM 460 O LYS A 25 22.631 6.717 8.395 1.00 0.00 O ATOM 461 CB LYS A 25 22.732 9.735 7.290 1.00 0.00 C ATOM 462 CG LYS A 25 22.728 11.214 7.636 1.00 0.00 C ATOM 463 CD LYS A 25 22.359 11.446 9.091 1.00 0.00 C ATOM 464 CE LYS A 25 20.978 10.893 9.411 1.00 0.00 C ATOM 465 NZ LYS A 25 20.376 11.557 10.600 1.00 0.00 N ATOM 0 H LYS A 25 25.199 9.944 7.306 1.00 0.00 H new ATOM 0 HA LYS A 25 23.307 9.033 9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.066 9.612 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.712 9.355 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 25 23.713 11.637 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 25 22.021 11.737 6.993 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.100 10.973 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.384 12.514 9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.324 11.029 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.049 9.820 9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.362 11.332 10.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.846 11.216 11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.499 12.587 10.522 1.00 0.00 H new ATOM 479 N GLY A 26 24.331 6.949 6.940 1.00 0.00 N ATOM 480 CA GLY A 26 24.286 5.557 6.532 1.00 0.00 C ATOM 481 C GLY A 26 23.583 5.365 5.203 1.00 0.00 C ATOM 482 O GLY A 26 22.634 4.588 5.101 1.00 0.00 O ATOM 0 H GLY A 26 25.046 7.509 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 26 25.302 5.169 6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.775 4.973 7.298 1.00 0.00 H new ATOM 486 N VAL A 27 24.049 6.076 4.181 1.00 0.00 N ATOM 487 CA VAL A 27 23.458 5.981 2.851 1.00 0.00 C ATOM 488 C VAL A 27 24.526 5.736 1.792 1.00 0.00 C ATOM 489 O VAL A 27 25.723 5.807 2.072 1.00 0.00 O ATOM 490 CB VAL A 27 22.678 7.260 2.491 1.00 0.00 C ATOM 491 CG1 VAL A 27 21.241 7.164 2.981 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.367 8.485 3.072 1.00 0.00 C ATOM 0 H VAL A 27 24.834 6.724 4.248 1.00 0.00 H new ATOM 0 HA VAL A 27 22.769 5.137 2.870 1.00 0.00 H new ATOM 0 HB VAL A 27 22.661 7.362 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.705 8.076 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.753 6.309 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.233 7.038 4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.803 9.379 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.416 8.394 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.376 8.561 2.668 1.00 0.00 H new ATOM 502 N LYS A 28 24.086 5.447 0.572 1.00 0.00 N ATOM 503 CA LYS A 28 25.003 5.192 -0.533 1.00 0.00 C ATOM 504 C LYS A 28 25.014 6.362 -1.511 1.00 0.00 C ATOM 505 O LYS A 28 24.203 6.418 -2.436 1.00 0.00 O ATOM 506 CB LYS A 28 24.610 3.906 -1.263 1.00 0.00 C ATOM 507 CG LYS A 28 25.291 2.663 -0.716 1.00 0.00 C ATOM 508 CD LYS A 28 24.459 2.004 0.371 1.00 0.00 C ATOM 509 CE LYS A 28 23.379 1.110 -0.219 1.00 0.00 C ATOM 510 NZ LYS A 28 23.919 -0.217 -0.626 1.00 0.00 N ATOM 0 H LYS A 28 23.099 5.383 0.323 1.00 0.00 H new ATOM 0 HA LYS A 28 26.006 5.076 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.530 3.777 -1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.855 4.009 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.461 1.954 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.269 2.929 -0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.107 1.414 1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.998 2.771 0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.584 0.970 0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 28 22.933 1.601 -1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.152 -0.797 -1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 24.660 -0.085 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.322 -0.697 0.204 1.00 0.00 H new ATOM 524 N TYR A 29 25.939 7.292 -1.303 1.00 0.00 N ATOM 525 CA TYR A 29 26.055 8.461 -2.167 1.00 0.00 C ATOM 526 C TYR A 29 26.908 8.150 -3.393 1.00 0.00 C ATOM 527 O TYR A 29 27.882 7.402 -3.314 1.00 0.00 O ATOM 528 CB TYR A 29 26.662 9.634 -1.395 1.00 0.00 C ATOM 529 CG TYR A 29 28.021 9.332 -0.805 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.162 9.345 -1.596 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.163 9.035 0.545 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.406 9.069 -1.061 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.403 8.760 1.089 1.00 0.00 C ATOM 534 CZ TYR A 29 30.521 8.777 0.282 1.00 0.00 C ATOM 535 OH TYR A 29 31.758 8.504 0.819 1.00 0.00 O ATOM 0 H TYR A 29 26.619 7.259 -0.544 1.00 0.00 H new ATOM 0 HA TYR A 29 25.054 8.734 -2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.747 10.492 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 29 25.982 9.921 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.076 9.575 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.289 9.019 1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.283 9.082 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 29 29.496 8.533 2.141 1.00 0.00 H new ATOM 0 HH TYR A 29 31.665 8.320 1.777 1.00 0.00 H new ATOM 545 N THR A 30 26.534 8.732 -4.529 1.00 0.00 N ATOM 546 CA THR A 30 27.262 8.517 -5.773 1.00 0.00 C ATOM 547 C THR A 30 28.231 9.662 -6.047 1.00 0.00 C ATOM 548 O THR A 30 27.814 10.784 -6.335 1.00 0.00 O ATOM 549 CB THR A 30 26.301 8.375 -6.969 1.00 0.00 C ATOM 550 OG1 THR A 30 25.464 7.227 -6.791 1.00 0.00 O ATOM 551 CG2 THR A 30 27.075 8.247 -8.272 1.00 0.00 C ATOM 0 H THR A 30 25.731 9.356 -4.612 1.00 0.00 H new ATOM 0 HA THR A 30 27.823 7.590 -5.655 1.00 0.00 H new ATOM 0 HB THR A 30 25.682 9.271 -7.018 1.00 0.00 H new ATOM 0 HG1 THR A 30 24.855 7.145 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.376 8.148 -9.102 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.689 9.135 -8.419 1.00 0.00 H new ATOM 0 HG23 THR A 30 27.715 7.366 -8.230 1.00 0.00 H new ATOM 559 N ASP A 31 29.524 9.371 -5.957 1.00 0.00 N ATOM 560 CA ASP A 31 30.552 10.376 -6.198 1.00 0.00 C ATOM 561 C ASP A 31 30.856 10.497 -7.688 1.00 0.00 C ATOM 562 O ASP A 31 31.405 9.577 -8.296 1.00 0.00 O ATOM 563 CB ASP A 31 31.828 10.025 -5.431 1.00 0.00 C ATOM 564 CG ASP A 31 32.364 8.654 -5.796 1.00 0.00 C ATOM 565 OD1 ASP A 31 31.866 7.655 -5.237 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.280 8.581 -6.641 1.00 0.00 O ATOM 0 H ASP A 31 29.885 8.447 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 31 30.177 11.336 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.590 10.777 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 31 31.626 10.060 -4.360 1.00 0.00 H new ATOM 571 N ILE A 32 30.495 11.635 -8.270 1.00 0.00 N ATOM 572 CA ILE A 32 30.729 11.876 -9.688 1.00 0.00 C ATOM 573 C ILE A 32 32.034 12.633 -9.910 1.00 0.00 C ATOM 574 O ILE A 32 32.232 13.721 -9.369 1.00 0.00 O ATOM 575 CB ILE A 32 29.573 12.671 -10.323 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.229 12.034 -9.964 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.745 12.743 -11.833 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.035 10.657 -10.559 1.00 0.00 C ATOM 0 H ILE A 32 30.039 12.405 -7.781 1.00 0.00 H new ATOM 0 HA ILE A 32 30.793 10.899 -10.167 1.00 0.00 H new ATOM 0 HB ILE A 32 29.590 13.686 -9.927 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.146 11.967 -8.879 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.425 12.685 -10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.920 13.308 -12.267 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.687 13.238 -12.069 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.751 11.735 -12.247 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.061 10.267 -10.263 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.086 10.720 -11.646 1.00 0.00 H new ATOM 0 HD13 ILE A 32 28.818 9.991 -10.197 1.00 0.00 H new ATOM 590 N ASP A 33 32.921 12.050 -10.709 1.00 0.00 N ATOM 591 CA ASP A 33 34.207 12.671 -11.006 1.00 0.00 C ATOM 592 C ASP A 33 34.015 13.995 -11.739 1.00 0.00 C ATOM 593 O ASP A 33 33.111 14.134 -12.562 1.00 0.00 O ATOM 594 CB ASP A 33 35.071 11.729 -11.845 1.00 0.00 C ATOM 595 CG ASP A 33 35.817 10.718 -10.997 1.00 0.00 C ATOM 596 OD1 ASP A 33 35.929 10.938 -9.773 1.00 0.00 O ATOM 597 OD2 ASP A 33 36.291 9.708 -11.558 1.00 0.00 O ATOM 0 H ASP A 33 32.773 11.148 -11.163 1.00 0.00 H new ATOM 0 HA ASP A 33 34.713 12.870 -10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.440 11.203 -12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.787 12.314 -12.421 1.00 0.00 H new ATOM 602 N ALA A 34 34.871 14.964 -11.433 1.00 0.00 N ATOM 603 CA ALA A 34 34.797 16.276 -12.064 1.00 0.00 C ATOM 604 C ALA A 34 34.792 16.155 -13.584 1.00 0.00 C ATOM 605 O ALA A 34 34.325 17.052 -14.286 1.00 0.00 O ATOM 606 CB ALA A 34 35.956 17.149 -11.606 1.00 0.00 C ATOM 0 H ALA A 34 35.624 14.865 -10.752 1.00 0.00 H new ATOM 0 HA ALA A 34 33.861 16.745 -11.760 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.888 18.126 -12.085 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.913 17.272 -10.524 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.899 16.675 -11.880 1.00 0.00 H new ATOM 612 N SER A 35 35.316 15.041 -14.086 1.00 0.00 N ATOM 613 CA SER A 35 35.376 14.805 -15.524 1.00 0.00 C ATOM 614 C SER A 35 34.024 15.077 -16.176 1.00 0.00 C ATOM 615 O SER A 35 33.095 14.276 -16.063 1.00 0.00 O ATOM 616 CB SER A 35 35.813 13.367 -15.808 1.00 0.00 C ATOM 617 OG SER A 35 36.985 13.037 -15.083 1.00 0.00 O ATOM 0 H SER A 35 35.705 14.288 -13.518 1.00 0.00 H new ATOM 0 HA SER A 35 36.109 15.490 -15.950 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.010 12.680 -15.540 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.995 13.243 -16.876 1.00 0.00 H new ATOM 0 HG SER A 35 37.242 12.112 -15.281 1.00 0.00 H new ATOM 623 N THR A 36 33.921 16.212 -16.860 1.00 0.00 N ATOM 624 CA THR A 36 32.683 16.591 -17.530 1.00 0.00 C ATOM 625 C THR A 36 32.251 15.526 -18.531 1.00 0.00 C ATOM 626 O THR A 36 31.073 15.423 -18.874 1.00 0.00 O ATOM 627 CB THR A 36 32.831 17.938 -18.263 1.00 0.00 C ATOM 628 OG1 THR A 36 33.992 17.916 -19.100 1.00 0.00 O ATOM 629 CG2 THR A 36 32.937 19.085 -17.269 1.00 0.00 C ATOM 0 H THR A 36 34.680 16.885 -16.965 1.00 0.00 H new ATOM 0 HA THR A 36 31.922 16.688 -16.756 1.00 0.00 H new ATOM 0 HB THR A 36 31.944 18.091 -18.878 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.078 18.775 -19.563 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.041 20.026 -17.809 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.038 19.117 -16.653 1.00 0.00 H new ATOM 0 HG23 THR A 36 33.808 18.935 -16.631 1.00 0.00 H new ATOM 637 N SER A 37 33.212 14.734 -18.997 1.00 0.00 N ATOM 638 CA SER A 37 32.931 13.677 -19.962 1.00 0.00 C ATOM 639 C SER A 37 31.759 12.817 -19.499 1.00 0.00 C ATOM 640 O SER A 37 31.000 12.291 -20.314 1.00 0.00 O ATOM 641 CB SER A 37 34.170 12.804 -20.169 1.00 0.00 C ATOM 642 OG SER A 37 34.796 12.506 -18.933 1.00 0.00 O ATOM 0 H SER A 37 34.192 14.804 -18.722 1.00 0.00 H new ATOM 0 HA SER A 37 32.663 14.145 -20.909 1.00 0.00 H new ATOM 0 HB2 SER A 37 33.887 11.878 -20.669 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.875 13.317 -20.823 1.00 0.00 H new ATOM 0 HG SER A 37 35.584 11.946 -19.092 1.00 0.00 H new ATOM 648 N LEU A 38 31.618 12.677 -18.186 1.00 0.00 N ATOM 649 CA LEU A 38 30.539 11.881 -17.612 1.00 0.00 C ATOM 650 C LEU A 38 29.698 12.714 -16.650 1.00 0.00 C ATOM 651 O LEU A 38 28.488 12.518 -16.537 1.00 0.00 O ATOM 652 CB LEU A 38 31.109 10.662 -16.884 1.00 0.00 C ATOM 653 CG LEU A 38 31.226 9.380 -17.710 1.00 0.00 C ATOM 654 CD1 LEU A 38 29.848 8.879 -18.114 1.00 0.00 C ATOM 655 CD2 LEU A 38 32.092 9.615 -18.939 1.00 0.00 C ATOM 0 H LEU A 38 32.238 13.105 -17.498 1.00 0.00 H new ATOM 0 HA LEU A 38 29.898 11.544 -18.427 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.099 10.919 -16.507 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.482 10.456 -16.017 1.00 0.00 H new ATOM 0 HG LEU A 38 31.702 8.616 -17.096 1.00 0.00 H new ATOM 0 HD11 LEU A 38 29.950 7.966 -18.701 1.00 0.00 H new ATOM 0 HD12 LEU A 38 29.260 8.671 -17.220 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.345 9.640 -18.711 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.164 8.692 -19.515 1.00 0.00 H new ATOM 0 HD22 LEU A 38 31.644 10.394 -19.556 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.089 9.927 -18.627 1.00 0.00 H new ATOM 667 N ARG A 39 30.348 13.647 -15.961 1.00 0.00 N ATOM 668 CA ARG A 39 29.660 14.511 -15.010 1.00 0.00 C ATOM 669 C ARG A 39 28.664 15.422 -15.724 1.00 0.00 C ATOM 670 O ARG A 39 27.544 15.619 -15.255 1.00 0.00 O ATOM 671 CB ARG A 39 30.671 15.355 -14.231 1.00 0.00 C ATOM 672 CG ARG A 39 30.065 16.591 -13.587 1.00 0.00 C ATOM 673 CD ARG A 39 30.230 17.818 -14.470 1.00 0.00 C ATOM 674 NE ARG A 39 30.363 19.043 -13.686 1.00 0.00 N ATOM 675 CZ ARG A 39 31.413 19.313 -12.918 1.00 0.00 C ATOM 676 NH1 ARG A 39 32.416 18.450 -12.833 1.00 0.00 N ATOM 677 NH2 ARG A 39 31.462 20.450 -12.235 1.00 0.00 N ATOM 0 H ARG A 39 31.349 13.823 -16.044 1.00 0.00 H new ATOM 0 HA ARG A 39 29.112 13.877 -14.313 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.126 14.738 -13.456 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.471 15.662 -14.905 1.00 0.00 H new ATOM 0 HG2 ARG A 39 29.006 16.420 -13.394 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.540 16.769 -12.622 1.00 0.00 H new ATOM 0 HD2 ARG A 39 31.110 17.694 -15.101 1.00 0.00 H new ATOM 0 HD3 ARG A 39 29.370 17.905 -15.135 1.00 0.00 H new ATOM 0 HE ARG A 39 29.609 19.728 -13.730 1.00 0.00 H new ATOM 0 HH11 ARG A 39 32.383 17.576 -13.358 1.00 0.00 H new ATOM 0 HH12 ARG A 39 33.221 18.660 -12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 39 30.693 21.117 -12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 39 32.268 20.657 -11.646 1.00 0.00 H new ATOM 691 N GLN A 40 29.083 15.973 -16.858 1.00 0.00 N ATOM 692 CA GLN A 40 28.228 16.863 -17.635 1.00 0.00 C ATOM 693 C GLN A 40 26.997 16.123 -18.150 1.00 0.00 C ATOM 694 O GLN A 40 25.884 16.644 -18.101 1.00 0.00 O ATOM 695 CB GLN A 40 29.008 17.458 -18.809 1.00 0.00 C ATOM 696 CG GLN A 40 28.422 18.760 -19.331 1.00 0.00 C ATOM 697 CD GLN A 40 29.118 19.251 -20.585 1.00 0.00 C ATOM 698 OE1 GLN A 40 30.018 18.593 -21.108 1.00 0.00 O ATOM 699 NE2 GLN A 40 28.704 20.414 -21.075 1.00 0.00 N ATOM 0 H GLN A 40 30.008 15.819 -17.259 1.00 0.00 H new ATOM 0 HA GLN A 40 27.897 17.670 -16.981 1.00 0.00 H new ATOM 0 HB2 GLN A 40 30.039 17.631 -18.499 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.037 16.731 -19.621 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.362 18.619 -19.540 1.00 0.00 H new ATOM 0 HG3 GLN A 40 28.495 19.523 -18.557 1.00 0.00 H new ATOM 0 HE21 GLN A 40 27.955 20.926 -20.609 1.00 0.00 H new ATOM 0 HE22 GLN A 40 29.135 20.795 -21.917 1.00 0.00 H new ATOM 708 N GLU A 41 27.208 14.907 -18.645 1.00 0.00 N ATOM 709 CA GLU A 41 26.115 14.098 -19.170 1.00 0.00 C ATOM 710 C GLU A 41 25.150 13.698 -18.057 1.00 0.00 C ATOM 711 O GLU A 41 23.933 13.731 -18.235 1.00 0.00 O ATOM 712 CB GLU A 41 26.663 12.846 -19.859 1.00 0.00 C ATOM 713 CG GLU A 41 27.912 13.104 -20.685 1.00 0.00 C ATOM 714 CD GLU A 41 27.750 14.271 -21.639 1.00 0.00 C ATOM 715 OE1 GLU A 41 26.749 14.294 -22.386 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.624 15.163 -21.638 1.00 0.00 O ATOM 0 H GLU A 41 28.124 14.462 -18.693 1.00 0.00 H new ATOM 0 HA GLU A 41 25.572 14.698 -19.900 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.887 12.094 -19.103 1.00 0.00 H new ATOM 0 HB3 GLU A 41 25.890 12.429 -20.505 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.751 13.300 -20.017 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.159 12.207 -21.253 1.00 0.00 H new ATOM 723 N MET A 42 25.704 13.319 -16.910 1.00 0.00 N ATOM 724 CA MET A 42 24.893 12.913 -15.768 1.00 0.00 C ATOM 725 C MET A 42 24.129 14.102 -15.194 1.00 0.00 C ATOM 726 O MET A 42 22.914 14.039 -15.007 1.00 0.00 O ATOM 727 CB MET A 42 25.776 12.288 -14.685 1.00 0.00 C ATOM 728 CG MET A 42 25.207 11.004 -14.104 1.00 0.00 C ATOM 729 SD MET A 42 25.988 9.528 -14.786 1.00 0.00 S ATOM 730 CE MET A 42 27.621 9.643 -14.060 1.00 0.00 C ATOM 0 H MET A 42 26.710 13.285 -16.747 1.00 0.00 H new ATOM 0 HA MET A 42 24.171 12.172 -16.111 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.761 12.082 -15.105 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.917 13.010 -13.881 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.335 11.011 -13.022 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.135 10.966 -14.298 1.00 0.00 H new ATOM 0 HE1 MET A 42 28.366 9.317 -14.786 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.820 10.676 -13.775 1.00 0.00 H new ATOM 0 HE3 MET A 42 27.672 9.006 -13.177 1.00 0.00 H new ATOM 740 N VAL A 43 24.849 15.184 -14.915 1.00 0.00 N ATOM 741 CA VAL A 43 24.238 16.387 -14.363 1.00 0.00 C ATOM 742 C VAL A 43 23.207 16.971 -15.324 1.00 0.00 C ATOM 743 O VAL A 43 22.228 17.584 -14.900 1.00 0.00 O ATOM 744 CB VAL A 43 25.296 17.461 -14.050 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.813 18.093 -15.333 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.723 18.519 -13.119 1.00 0.00 C ATOM 0 H VAL A 43 25.856 15.252 -15.062 1.00 0.00 H new ATOM 0 HA VAL A 43 23.743 16.094 -13.437 1.00 0.00 H new ATOM 0 HB VAL A 43 26.135 16.982 -13.546 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.560 18.849 -15.091 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.265 17.325 -15.961 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.985 18.558 -15.868 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.485 19.270 -12.909 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.865 18.995 -13.594 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.408 18.051 -12.186 1.00 0.00 H new ATOM 756 N GLN A 44 23.435 16.774 -16.618 1.00 0.00 N ATOM 757 CA GLN A 44 22.526 17.281 -17.639 1.00 0.00 C ATOM 758 C GLN A 44 21.249 16.449 -17.693 1.00 0.00 C ATOM 759 O GLN A 44 20.145 16.991 -17.742 1.00 0.00 O ATOM 760 CB GLN A 44 23.209 17.277 -19.008 1.00 0.00 C ATOM 761 CG GLN A 44 24.045 18.519 -19.274 1.00 0.00 C ATOM 762 CD GLN A 44 24.786 18.451 -20.595 1.00 0.00 C ATOM 763 OE1 GLN A 44 25.557 17.387 -20.788 1.00 0.00 O flip ATOM 764 NE2 GLN A 44 24.668 19.345 -21.433 1.00 0.00 N flip ATOM 0 H GLN A 44 24.241 16.267 -16.984 1.00 0.00 H new ATOM 0 HA GLN A 44 22.260 18.305 -17.376 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.847 16.396 -19.084 1.00 0.00 H new ATOM 0 HB3 GLN A 44 22.449 17.188 -19.784 1.00 0.00 H new ATOM 0 HG2 GLN A 44 23.398 19.396 -19.269 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.764 18.649 -18.465 1.00 0.00 H new ATOM 0 HE21 GLN A 44 24.065 20.145 -21.243 1.00 0.00 H new ATOM 0 HE22 GLN A 44 25.174 19.285 -22.317 1.00 0.00 H new ATOM 773 N ARG A 45 21.408 15.130 -17.683 1.00 0.00 N ATOM 774 CA ARG A 45 20.267 14.223 -17.731 1.00 0.00 C ATOM 775 C ARG A 45 19.603 14.110 -16.362 1.00 0.00 C ATOM 776 O ARG A 45 18.513 13.554 -16.234 1.00 0.00 O ATOM 777 CB ARG A 45 20.709 12.839 -18.212 1.00 0.00 C ATOM 778 CG ARG A 45 19.553 11.891 -18.486 1.00 0.00 C ATOM 779 CD ARG A 45 20.038 10.576 -19.075 1.00 0.00 C ATOM 780 NE ARG A 45 20.963 9.884 -18.181 1.00 0.00 N ATOM 781 CZ ARG A 45 21.340 8.622 -18.347 1.00 0.00 C ATOM 782 NH1 ARG A 45 20.873 7.916 -19.368 1.00 0.00 N ATOM 783 NH2 ARG A 45 22.185 8.062 -17.491 1.00 0.00 N ATOM 0 H ARG A 45 22.315 14.665 -17.642 1.00 0.00 H new ATOM 0 HA ARG A 45 19.541 14.630 -18.434 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.299 12.951 -19.122 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.362 12.394 -17.461 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.012 11.698 -17.560 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.850 12.362 -19.174 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.182 9.933 -19.280 1.00 0.00 H new ATOM 0 HD3 ARG A 45 20.530 10.766 -20.029 1.00 0.00 H new ATOM 0 HE ARG A 45 21.340 10.399 -17.385 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.223 8.343 -20.028 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.164 6.947 -19.493 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.546 8.601 -16.704 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.474 7.092 -17.620 1.00 0.00 H new ATOM 797 N ALA A 46 20.269 14.640 -15.342 1.00 0.00 N ATOM 798 CA ALA A 46 19.743 14.601 -13.983 1.00 0.00 C ATOM 799 C ALA A 46 18.998 15.887 -13.645 1.00 0.00 C ATOM 800 O ALA A 46 17.945 15.857 -13.009 1.00 0.00 O ATOM 801 CB ALA A 46 20.870 14.364 -12.988 1.00 0.00 C ATOM 0 H ALA A 46 21.174 15.102 -15.431 1.00 0.00 H new ATOM 0 HA ALA A 46 19.035 13.775 -13.917 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.463 14.337 -11.977 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.356 13.414 -13.209 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.599 15.171 -13.065 1.00 0.00 H new ATOM 807 N ASN A 47 19.552 17.017 -14.074 1.00 0.00 N ATOM 808 CA ASN A 47 18.939 18.315 -13.815 1.00 0.00 C ATOM 809 C ASN A 47 18.286 18.869 -15.077 1.00 0.00 C ATOM 810 O ASN A 47 17.148 19.336 -15.046 1.00 0.00 O ATOM 811 CB ASN A 47 19.986 19.301 -13.293 1.00 0.00 C ATOM 812 CG ASN A 47 19.759 20.710 -13.806 1.00 0.00 C ATOM 813 OD1 ASN A 47 20.667 21.186 -14.650 1.00 0.00 O flip ATOM 814 ND2 ASN A 47 18.778 21.362 -13.448 1.00 0.00 N flip ATOM 0 H ASN A 47 20.424 17.060 -14.602 1.00 0.00 H new ATOM 0 HA ASN A 47 18.167 18.181 -13.057 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.965 19.306 -12.203 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.979 18.964 -13.591 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.105 20.956 -12.797 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.638 22.308 -13.802 1.00 0.00 H new ATOM 821 N GLY A 48 19.015 18.815 -16.188 1.00 0.00 N ATOM 822 CA GLY A 48 18.491 19.314 -17.445 1.00 0.00 C ATOM 823 C GLY A 48 19.510 20.128 -18.216 1.00 0.00 C ATOM 824 O GLY A 48 19.549 20.083 -19.446 1.00 0.00 O ATOM 0 H GLY A 48 19.960 18.434 -16.239 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.163 18.474 -18.057 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.612 19.928 -17.250 1.00 0.00 H new ATOM 828 N ARG A 49 20.337 20.876 -17.493 1.00 0.00 N ATOM 829 CA ARG A 49 21.360 21.707 -18.118 1.00 0.00 C ATOM 830 C ARG A 49 22.213 22.404 -17.062 1.00 0.00 C ATOM 831 O ARG A 49 21.905 23.517 -16.637 1.00 0.00 O ATOM 832 CB ARG A 49 20.713 22.746 -19.035 1.00 0.00 C ATOM 833 CG ARG A 49 21.699 23.754 -19.603 1.00 0.00 C ATOM 834 CD ARG A 49 20.995 24.811 -20.440 1.00 0.00 C ATOM 835 NE ARG A 49 20.626 24.306 -21.760 1.00 0.00 N ATOM 836 CZ ARG A 49 20.103 25.065 -22.717 1.00 0.00 C ATOM 837 NH1 ARG A 49 19.890 26.356 -22.502 1.00 0.00 N ATOM 838 NH2 ARG A 49 19.794 24.533 -23.893 1.00 0.00 N ATOM 0 H ARG A 49 20.319 20.924 -16.474 1.00 0.00 H new ATOM 0 HA ARG A 49 22.005 21.060 -18.713 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.216 22.233 -19.858 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.941 23.279 -18.479 1.00 0.00 H new ATOM 0 HG2 ARG A 49 22.240 24.235 -18.788 1.00 0.00 H new ATOM 0 HG3 ARG A 49 22.438 23.237 -20.215 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.100 25.150 -19.918 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.646 25.678 -20.552 1.00 0.00 H new ATOM 0 HE ARG A 49 20.778 23.317 -21.958 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.128 26.769 -21.600 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.488 26.936 -23.239 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.958 23.541 -24.063 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.393 25.116 -24.627 1.00 0.00 H new ATOM 852 N ASN A 50 23.286 21.742 -16.643 1.00 0.00 N ATOM 853 CA ASN A 50 24.183 22.298 -15.637 1.00 0.00 C ATOM 854 C ASN A 50 25.597 22.448 -16.191 1.00 0.00 C ATOM 855 O ASN A 50 25.976 21.773 -17.149 1.00 0.00 O ATOM 856 CB ASN A 50 24.203 21.407 -14.393 1.00 0.00 C ATOM 857 CG ASN A 50 24.364 22.204 -13.113 1.00 0.00 C ATOM 858 OD1 ASN A 50 25.427 22.766 -12.848 1.00 0.00 O ATOM 859 ND2 ASN A 50 23.306 22.256 -12.312 1.00 0.00 N ATOM 0 H ASN A 50 23.556 20.820 -16.985 1.00 0.00 H new ATOM 0 HA ASN A 50 23.813 23.286 -15.363 1.00 0.00 H new ATOM 0 HB2 ASN A 50 23.278 20.833 -14.346 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.020 20.690 -14.476 1.00 0.00 H new ATOM 0 HD21 ASN A 50 23.354 22.777 -11.437 1.00 0.00 H new ATOM 0 HD22 ASN A 50 22.445 21.775 -12.572 1.00 0.00 H new ATOM 866 N THR A 51 26.374 23.338 -15.582 1.00 0.00 N ATOM 867 CA THR A 51 27.745 23.578 -16.014 1.00 0.00 C ATOM 868 C THR A 51 28.636 23.950 -14.834 1.00 0.00 C ATOM 869 O THR A 51 29.633 24.654 -14.995 1.00 0.00 O ATOM 870 CB THR A 51 27.814 24.699 -17.068 1.00 0.00 C ATOM 871 OG1 THR A 51 29.149 24.814 -17.574 1.00 0.00 O ATOM 872 CG2 THR A 51 27.375 26.029 -16.474 1.00 0.00 C ATOM 0 H THR A 51 26.077 23.905 -14.788 1.00 0.00 H new ATOM 0 HA THR A 51 28.103 22.649 -16.458 1.00 0.00 H new ATOM 0 HB THR A 51 27.137 24.443 -17.883 1.00 0.00 H new ATOM 0 HG1 THR A 51 29.775 24.910 -16.826 1.00 0.00 H new ATOM 0 HG21 THR A 51 27.432 26.805 -17.237 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.349 25.947 -16.117 1.00 0.00 H new ATOM 0 HG23 THR A 51 28.029 26.290 -15.642 1.00 0.00 H new ATOM 880 N PHE A 52 28.270 23.473 -13.649 1.00 0.00 N ATOM 881 CA PHE A 52 29.037 23.756 -12.442 1.00 0.00 C ATOM 882 C PHE A 52 28.884 22.630 -11.423 1.00 0.00 C ATOM 883 O PHE A 52 27.841 21.984 -11.328 1.00 0.00 O ATOM 884 CB PHE A 52 28.586 25.082 -11.824 1.00 0.00 C ATOM 885 CG PHE A 52 27.094 25.217 -11.718 1.00 0.00 C ATOM 886 CD1 PHE A 52 26.354 25.727 -12.772 1.00 0.00 C ATOM 887 CD2 PHE A 52 26.431 24.833 -10.563 1.00 0.00 C ATOM 888 CE1 PHE A 52 24.981 25.852 -12.678 1.00 0.00 C ATOM 889 CE2 PHE A 52 25.058 24.955 -10.463 1.00 0.00 C ATOM 890 CZ PHE A 52 24.332 25.466 -11.521 1.00 0.00 C ATOM 0 H PHE A 52 27.447 22.889 -13.499 1.00 0.00 H new ATOM 0 HA PHE A 52 30.088 23.831 -12.720 1.00 0.00 H new ATOM 0 HB2 PHE A 52 29.023 25.178 -10.830 1.00 0.00 H new ATOM 0 HB3 PHE A 52 28.976 25.904 -12.424 1.00 0.00 H new ATOM 0 HD1 PHE A 52 26.856 26.031 -13.679 1.00 0.00 H new ATOM 0 HD2 PHE A 52 26.994 24.434 -9.732 1.00 0.00 H new ATOM 0 HE1 PHE A 52 24.416 26.251 -13.508 1.00 0.00 H new ATOM 0 HE2 PHE A 52 24.553 24.651 -9.558 1.00 0.00 H new ATOM 0 HZ PHE A 52 23.259 25.564 -11.444 1.00 0.00 H new ATOM 900 N PRO A 53 29.949 22.389 -10.644 1.00 0.00 N ATOM 901 CA PRO A 53 29.958 21.341 -9.619 1.00 0.00 C ATOM 902 C PRO A 53 29.049 21.674 -8.441 1.00 0.00 C ATOM 903 O PRO A 53 28.918 22.836 -8.057 1.00 0.00 O ATOM 904 CB PRO A 53 31.421 21.297 -9.170 1.00 0.00 C ATOM 905 CG PRO A 53 31.950 22.657 -9.471 1.00 0.00 C ATOM 906 CD PRO A 53 31.225 23.120 -10.704 1.00 0.00 C ATOM 0 HA PRO A 53 29.587 20.391 -10.004 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.502 21.067 -8.108 1.00 0.00 H new ATOM 0 HB3 PRO A 53 31.977 20.528 -9.707 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.775 23.337 -8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 53 33.027 22.629 -9.639 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.071 24.199 -10.698 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.782 22.883 -11.610 1.00 0.00 H new ATOM 914 N GLN A 54 28.424 20.648 -7.873 1.00 0.00 N ATOM 915 CA GLN A 54 27.527 20.833 -6.739 1.00 0.00 C ATOM 916 C GLN A 54 27.008 19.492 -6.230 1.00 0.00 C ATOM 917 O GLN A 54 27.317 18.442 -6.794 1.00 0.00 O ATOM 918 CB GLN A 54 26.353 21.732 -7.132 1.00 0.00 C ATOM 919 CG GLN A 54 25.151 20.966 -7.661 1.00 0.00 C ATOM 920 CD GLN A 54 25.516 20.005 -8.775 1.00 0.00 C ATOM 921 OE1 GLN A 54 26.359 20.308 -9.621 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.883 18.838 -8.782 1.00 0.00 N ATOM 0 H GLN A 54 28.522 19.680 -8.180 1.00 0.00 H new ATOM 0 HA GLN A 54 28.090 21.311 -5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 54 26.048 22.317 -6.264 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.686 22.439 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.690 20.411 -6.844 1.00 0.00 H new ATOM 0 HG3 GLN A 54 24.406 21.673 -8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.192 18.628 -8.062 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.088 18.151 -9.508 1.00 0.00 H new ATOM 931 N ILE A 55 26.219 19.536 -5.162 1.00 0.00 N ATOM 932 CA ILE A 55 25.657 18.324 -4.579 1.00 0.00 C ATOM 933 C ILE A 55 24.232 18.087 -5.069 1.00 0.00 C ATOM 934 O ILE A 55 23.334 18.887 -4.810 1.00 0.00 O ATOM 935 CB ILE A 55 25.654 18.389 -3.040 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.085 18.488 -2.509 1.00 0.00 C ATOM 937 CG2 ILE A 55 24.951 17.171 -2.460 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.629 19.900 -2.499 1.00 0.00 C ATOM 0 H ILE A 55 25.955 20.397 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 55 26.291 17.497 -4.899 1.00 0.00 H new ATOM 0 HB ILE A 55 25.109 19.281 -2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.116 18.088 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.735 17.861 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 55 24.957 17.231 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 55 23.921 17.141 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.470 16.266 -2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.647 19.895 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.630 20.297 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.002 20.527 -1.865 1.00 0.00 H new ATOM 950 N PHE A 56 24.033 16.981 -5.778 1.00 0.00 N ATOM 951 CA PHE A 56 22.717 16.637 -6.305 1.00 0.00 C ATOM 952 C PHE A 56 21.983 15.690 -5.359 1.00 0.00 C ATOM 953 O PHE A 56 22.596 14.826 -4.731 1.00 0.00 O ATOM 954 CB PHE A 56 22.849 15.994 -7.687 1.00 0.00 C ATOM 955 CG PHE A 56 21.826 16.479 -8.674 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.482 16.193 -8.495 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.208 17.219 -9.781 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.537 16.637 -9.401 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.268 17.667 -10.690 1.00 0.00 C ATOM 960 CZ PHE A 56 19.931 17.375 -10.500 1.00 0.00 C ATOM 0 H PHE A 56 24.766 16.308 -6.001 1.00 0.00 H new ATOM 0 HA PHE A 56 22.137 17.556 -6.394 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.845 16.197 -8.079 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.760 14.912 -7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.169 15.616 -7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.252 17.448 -9.936 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.493 16.407 -9.250 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.578 18.245 -11.548 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.195 17.723 -11.210 1.00 0.00 H new ATOM 970 N ILE A 57 20.669 15.860 -5.264 1.00 0.00 N ATOM 971 CA ILE A 57 19.852 15.021 -4.397 1.00 0.00 C ATOM 972 C ILE A 57 18.501 14.719 -5.037 1.00 0.00 C ATOM 973 O ILE A 57 17.658 15.604 -5.178 1.00 0.00 O ATOM 974 CB ILE A 57 19.620 15.685 -3.026 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.119 17.120 -3.209 1.00 0.00 C ATOM 976 CG2 ILE A 57 20.901 15.666 -2.205 1.00 0.00 C ATOM 977 CD1 ILE A 57 17.804 17.393 -2.514 1.00 0.00 C ATOM 0 H ILE A 57 20.148 16.571 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 57 20.400 14.090 -4.253 1.00 0.00 H new ATOM 0 HB ILE A 57 18.859 15.120 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.872 17.811 -2.829 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.007 17.324 -4.274 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.721 16.139 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.219 14.635 -2.051 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.682 16.211 -2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 57 17.510 18.428 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.038 16.727 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 57 17.916 17.221 -1.444 1.00 0.00 H new ATOM 989 N GLY A 58 18.303 13.462 -5.422 1.00 0.00 N ATOM 990 CA GLY A 58 17.052 13.065 -6.042 1.00 0.00 C ATOM 991 C GLY A 58 16.815 13.761 -7.367 1.00 0.00 C ATOM 992 O GLY A 58 17.252 13.284 -8.414 1.00 0.00 O ATOM 0 H GLY A 58 18.986 12.712 -5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.053 11.986 -6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.228 13.289 -5.365 1.00 0.00 H new ATOM 996 N ASP A 59 16.119 14.892 -7.323 1.00 0.00 N ATOM 997 CA ASP A 59 15.823 15.655 -8.530 1.00 0.00 C ATOM 998 C ASP A 59 16.091 17.141 -8.312 1.00 0.00 C ATOM 999 O ASP A 59 15.519 17.992 -8.995 1.00 0.00 O ATOM 1000 CB ASP A 59 14.368 15.442 -8.950 1.00 0.00 C ATOM 1001 CG ASP A 59 14.079 14.002 -9.324 1.00 0.00 C ATOM 1002 OD1 ASP A 59 14.941 13.372 -9.971 1.00 0.00 O ATOM 1003 OD2 ASP A 59 12.989 13.505 -8.971 1.00 0.00 O ATOM 0 H ASP A 59 15.749 15.301 -6.465 1.00 0.00 H new ATOM 0 HA ASP A 59 16.478 15.299 -9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.710 15.742 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.139 16.088 -9.798 1.00 0.00 H new ATOM 1008 N TYR A 60 16.961 17.447 -7.356 1.00 0.00 N ATOM 1009 CA TYR A 60 17.301 18.830 -7.046 1.00 0.00 C ATOM 1010 C TYR A 60 18.806 18.990 -6.850 1.00 0.00 C ATOM 1011 O TYR A 60 19.482 18.080 -6.369 1.00 0.00 O ATOM 1012 CB TYR A 60 16.560 19.290 -5.789 1.00 0.00 C ATOM 1013 CG TYR A 60 17.075 20.595 -5.226 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.707 21.811 -5.788 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.930 20.612 -4.130 1.00 0.00 C ATOM 1016 CE1 TYR A 60 17.176 23.005 -5.276 1.00 0.00 C ATOM 1017 CE2 TYR A 60 18.403 21.802 -3.612 1.00 0.00 C ATOM 1018 CZ TYR A 60 18.024 22.996 -4.188 1.00 0.00 C ATOM 1019 OH TYR A 60 18.492 24.184 -3.675 1.00 0.00 O ATOM 0 H TYR A 60 17.444 16.755 -6.782 1.00 0.00 H new ATOM 0 HA TYR A 60 16.994 19.451 -7.888 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.500 19.397 -6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.643 18.517 -5.025 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.043 21.823 -6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.230 19.679 -3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.880 23.941 -5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 60 19.067 21.797 -2.760 1.00 0.00 H new ATOM 0 HH TYR A 60 19.077 24.002 -2.910 1.00 0.00 H new ATOM 1029 N HIS A 61 19.324 20.155 -7.225 1.00 0.00 N ATOM 1030 CA HIS A 61 20.749 20.437 -7.089 1.00 0.00 C ATOM 1031 C HIS A 61 20.998 21.457 -5.982 1.00 0.00 C ATOM 1032 O HIS A 61 20.652 22.630 -6.115 1.00 0.00 O ATOM 1033 CB HIS A 61 21.316 20.955 -8.412 1.00 0.00 C ATOM 1034 CG HIS A 61 20.526 22.083 -9.001 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.357 21.895 -9.707 1.00 0.00 N ATOM 1036 CD2 HIS A 61 20.743 23.419 -8.985 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.890 23.066 -10.101 1.00 0.00 C ATOM 1038 NE2 HIS A 61 19.712 24.007 -9.675 1.00 0.00 N ATOM 0 H HIS A 61 18.779 20.919 -7.625 1.00 0.00 H new ATOM 0 HA HIS A 61 21.254 19.508 -6.824 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.343 21.285 -8.253 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.352 20.134 -9.129 1.00 0.00 H new ATOM 0 HD2 HIS A 61 21.573 23.928 -8.517 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.989 23.226 -10.674 1.00 0.00 H new ATOM 0 HE2 HIS A 61 19.599 25.008 -9.833 1.00 0.00 H new ATOM 1046 N VAL A 62 21.601 21.000 -4.889 1.00 0.00 N ATOM 1047 CA VAL A 62 21.897 21.871 -3.758 1.00 0.00 C ATOM 1048 C VAL A 62 22.635 23.126 -4.210 1.00 0.00 C ATOM 1049 O VAL A 62 22.060 24.213 -4.259 1.00 0.00 O ATOM 1050 CB VAL A 62 22.744 21.145 -2.696 1.00 0.00 C ATOM 1051 CG1 VAL A 62 23.095 22.089 -1.556 1.00 0.00 C ATOM 1052 CG2 VAL A 62 22.010 19.918 -2.177 1.00 0.00 C ATOM 0 H VAL A 62 21.894 20.031 -4.763 1.00 0.00 H new ATOM 0 HA VAL A 62 20.941 22.154 -3.318 1.00 0.00 H new ATOM 0 HB VAL A 62 23.673 20.814 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.693 21.558 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.664 22.933 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.179 22.453 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.623 19.417 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 62 21.065 20.222 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.816 19.234 -3.003 1.00 0.00 H new ATOM 1062 N GLY A 63 23.913 22.968 -4.540 1.00 0.00 N ATOM 1063 CA GLY A 63 24.709 24.097 -4.985 1.00 0.00 C ATOM 1064 C GLY A 63 26.132 24.045 -4.463 1.00 0.00 C ATOM 1065 O GLY A 63 27.086 24.194 -5.226 1.00 0.00 O ATOM 0 H GLY A 63 24.411 22.079 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.726 24.119 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.238 25.023 -4.655 1.00 0.00 H new ATOM 1069 N GLY A 64 26.274 23.833 -3.158 1.00 0.00 N ATOM 1070 CA GLY A 64 27.594 23.767 -2.558 1.00 0.00 C ATOM 1071 C GLY A 64 27.639 22.843 -1.357 1.00 0.00 C ATOM 1072 O GLY A 64 26.598 22.420 -0.851 1.00 0.00 O ATOM 0 H GLY A 64 25.500 23.706 -2.506 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.312 23.424 -3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.902 24.767 -2.255 1.00 0.00 H new ATOM 1076 N CYS A 65 28.846 22.526 -0.902 1.00 0.00 N ATOM 1077 CA CYS A 65 29.022 21.643 0.246 1.00 0.00 C ATOM 1078 C CYS A 65 28.434 22.266 1.507 1.00 0.00 C ATOM 1079 O CYS A 65 27.836 21.575 2.332 1.00 0.00 O ATOM 1080 CB CYS A 65 30.506 21.337 0.457 1.00 0.00 C ATOM 1081 SG CYS A 65 31.551 22.807 0.586 1.00 0.00 S ATOM 0 H CYS A 65 29.717 22.867 -1.310 1.00 0.00 H new ATOM 0 HA CYS A 65 28.492 20.713 0.042 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.618 20.744 1.364 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.861 20.723 -0.371 1.00 0.00 H new ATOM 0 HG CYS A 65 32.452 22.620 1.505 1.00 0.00 H new ATOM 1087 N ASP A 66 28.610 23.575 1.651 1.00 0.00 N ATOM 1088 CA ASP A 66 28.097 24.292 2.813 1.00 0.00 C ATOM 1089 C ASP A 66 26.588 24.492 2.705 1.00 0.00 C ATOM 1090 O ASP A 66 25.896 24.618 3.715 1.00 0.00 O ATOM 1091 CB ASP A 66 28.795 25.646 2.952 1.00 0.00 C ATOM 1092 CG ASP A 66 28.072 26.574 3.908 1.00 0.00 C ATOM 1093 OD1 ASP A 66 28.034 26.267 5.118 1.00 0.00 O ATOM 1094 OD2 ASP A 66 27.546 27.608 3.447 1.00 0.00 O ATOM 0 H ASP A 66 29.104 24.161 0.978 1.00 0.00 H new ATOM 0 HA ASP A 66 28.304 23.693 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.815 25.491 3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.863 26.119 1.972 1.00 0.00 H new ATOM 1099 N ASP A 67 26.087 24.521 1.476 1.00 0.00 N ATOM 1100 CA ASP A 67 24.660 24.706 1.236 1.00 0.00 C ATOM 1101 C ASP A 67 23.850 23.591 1.891 1.00 0.00 C ATOM 1102 O ASP A 67 22.948 23.851 2.689 1.00 0.00 O ATOM 1103 CB ASP A 67 24.374 24.745 -0.266 1.00 0.00 C ATOM 1104 CG ASP A 67 24.823 26.044 -0.907 1.00 0.00 C ATOM 1105 OD1 ASP A 67 25.515 26.832 -0.228 1.00 0.00 O ATOM 1106 OD2 ASP A 67 24.482 26.273 -2.086 1.00 0.00 O ATOM 0 H ASP A 67 26.647 24.419 0.630 1.00 0.00 H new ATOM 0 HA ASP A 67 24.363 25.656 1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.880 23.910 -0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.305 24.611 -0.433 1.00 0.00 H new ATOM 1111 N LEU A 68 24.177 22.350 1.549 1.00 0.00 N ATOM 1112 CA LEU A 68 23.480 21.195 2.104 1.00 0.00 C ATOM 1113 C LEU A 68 23.502 21.225 3.628 1.00 0.00 C ATOM 1114 O LEU A 68 22.521 20.869 4.281 1.00 0.00 O ATOM 1115 CB LEU A 68 24.117 19.899 1.598 1.00 0.00 C ATOM 1116 CG LEU A 68 25.418 19.480 2.283 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.127 18.611 3.496 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.323 18.746 1.304 1.00 0.00 C ATOM 0 H LEU A 68 24.920 22.118 0.890 1.00 0.00 H new ATOM 0 HA LEU A 68 22.442 21.236 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.393 19.092 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.309 20.005 0.530 1.00 0.00 H new ATOM 0 HG LEU A 68 25.934 20.379 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.065 18.323 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.518 19.170 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.589 17.716 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.244 18.455 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.814 17.855 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.560 19.401 0.466 1.00 0.00 H new ATOM 1130 N TYR A 69 24.627 21.654 4.190 1.00 0.00 N ATOM 1131 CA TYR A 69 24.777 21.731 5.638 1.00 0.00 C ATOM 1132 C TYR A 69 23.855 22.794 6.226 1.00 0.00 C ATOM 1133 O TYR A 69 23.077 22.521 7.140 1.00 0.00 O ATOM 1134 CB TYR A 69 26.230 22.041 6.005 1.00 0.00 C ATOM 1135 CG TYR A 69 26.895 20.950 6.814 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.221 19.730 6.235 1.00 0.00 C ATOM 1137 CD2 TYR A 69 27.199 21.140 8.156 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.829 18.730 6.970 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.808 20.147 8.898 1.00 0.00 C ATOM 1140 CZ TYR A 69 28.121 18.944 8.301 1.00 0.00 C ATOM 1141 OH TYR A 69 28.727 17.951 9.036 1.00 0.00 O ATOM 0 H TYR A 69 25.448 21.954 3.664 1.00 0.00 H new ATOM 0 HA TYR A 69 24.501 20.764 6.058 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.801 22.203 5.090 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.263 22.972 6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.995 19.560 5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.955 22.081 8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 69 28.074 17.787 6.505 1.00 0.00 H new ATOM 0 HE2 TYR A 69 28.038 20.312 9.940 1.00 0.00 H new ATOM 0 HH TYR A 69 28.865 18.262 9.955 1.00 0.00 H new ATOM 1151 N ALA A 70 23.947 24.009 5.694 1.00 0.00 N ATOM 1152 CA ALA A 70 23.120 25.114 6.163 1.00 0.00 C ATOM 1153 C ALA A 70 21.641 24.743 6.134 1.00 0.00 C ATOM 1154 O ALA A 70 20.918 24.955 7.108 1.00 0.00 O ATOM 1155 CB ALA A 70 23.372 26.356 5.322 1.00 0.00 C ATOM 0 H ALA A 70 24.586 24.253 4.938 1.00 0.00 H new ATOM 0 HA ALA A 70 23.394 25.328 7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.748 27.173 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.422 26.640 5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.128 26.146 4.281 1.00 0.00 H new ATOM 1161 N LEU A 71 21.197 24.190 5.010 1.00 0.00 N ATOM 1162 CA LEU A 71 19.803 23.791 4.854 1.00 0.00 C ATOM 1163 C LEU A 71 19.409 22.763 5.909 1.00 0.00 C ATOM 1164 O LEU A 71 18.386 22.907 6.578 1.00 0.00 O ATOM 1165 CB LEU A 71 19.570 23.217 3.455 1.00 0.00 C ATOM 1166 CG LEU A 71 19.085 24.207 2.396 1.00 0.00 C ATOM 1167 CD1 LEU A 71 18.954 23.522 1.044 1.00 0.00 C ATOM 1168 CD2 LEU A 71 17.759 24.827 2.812 1.00 0.00 C ATOM 0 H LEU A 71 21.782 24.008 4.194 1.00 0.00 H new ATOM 0 HA LEU A 71 19.181 24.676 4.986 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.502 22.771 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.840 22.411 3.532 1.00 0.00 H new ATOM 0 HG LEU A 71 19.824 25.004 2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 71 18.608 24.243 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.924 23.127 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.237 22.705 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.429 25.529 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.012 24.042 2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 71 17.885 25.354 3.758 1.00 0.00 H new ATOM 1180 N GLU A 72 20.229 21.726 6.054 1.00 0.00 N ATOM 1181 CA GLU A 72 19.967 20.675 7.030 1.00 0.00 C ATOM 1182 C GLU A 72 19.842 21.256 8.435 1.00 0.00 C ATOM 1183 O GLU A 72 19.096 20.742 9.267 1.00 0.00 O ATOM 1184 CB GLU A 72 21.081 19.628 6.996 1.00 0.00 C ATOM 1185 CG GLU A 72 22.009 19.687 8.199 1.00 0.00 C ATOM 1186 CD GLU A 72 23.207 18.769 8.057 1.00 0.00 C ATOM 1187 OE1 GLU A 72 23.034 17.540 8.197 1.00 0.00 O ATOM 1188 OE2 GLU A 72 24.319 19.280 7.805 1.00 0.00 O ATOM 0 H GLU A 72 21.080 21.592 5.508 1.00 0.00 H new ATOM 0 HA GLU A 72 19.022 20.198 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.634 18.636 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.668 19.764 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 72 22.355 20.711 8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.452 19.416 9.096 1.00 0.00 H new ATOM 1195 N ASN A 73 20.579 22.332 8.692 1.00 0.00 N ATOM 1196 CA ASN A 73 20.552 22.984 9.996 1.00 0.00 C ATOM 1197 C ASN A 73 19.380 23.955 10.096 1.00 0.00 C ATOM 1198 O ASN A 73 18.897 24.253 11.188 1.00 0.00 O ATOM 1199 CB ASN A 73 21.867 23.727 10.246 1.00 0.00 C ATOM 1200 CG ASN A 73 21.812 24.597 11.486 1.00 0.00 C ATOM 1201 OD1 ASN A 73 21.527 25.792 11.407 1.00 0.00 O ATOM 1202 ND2 ASN A 73 22.087 24.000 12.640 1.00 0.00 N ATOM 0 H ASN A 73 21.202 22.771 8.014 1.00 0.00 H new ATOM 0 HA ASN A 73 20.427 22.213 10.756 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.676 23.004 10.348 1.00 0.00 H new ATOM 0 HB3 ASN A 73 22.101 24.347 9.381 1.00 0.00 H new ATOM 0 HD21 ASN A 73 22.067 24.535 13.508 1.00 0.00 H new ATOM 0 HD22 ASN A 73 22.318 23.007 12.658 1.00 0.00 H new ATOM 1209 N LYS A 74 18.925 24.444 8.947 1.00 0.00 N ATOM 1210 CA LYS A 74 17.808 25.380 8.902 1.00 0.00 C ATOM 1211 C LYS A 74 16.479 24.649 9.061 1.00 0.00 C ATOM 1212 O LYS A 74 15.476 25.242 9.455 1.00 0.00 O ATOM 1213 CB LYS A 74 17.820 26.158 7.585 1.00 0.00 C ATOM 1214 CG LYS A 74 18.863 27.261 7.539 1.00 0.00 C ATOM 1215 CD LYS A 74 18.570 28.348 8.559 1.00 0.00 C ATOM 1216 CE LYS A 74 17.222 29.005 8.303 1.00 0.00 C ATOM 1217 NZ LYS A 74 17.104 29.503 6.905 1.00 0.00 N ATOM 0 H LYS A 74 19.313 24.207 8.034 1.00 0.00 H new ATOM 0 HA LYS A 74 17.919 26.079 9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.001 25.464 6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.835 26.594 7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.849 26.838 7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.890 27.696 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.583 27.920 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.356 29.102 8.524 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.425 28.288 8.502 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.085 29.834 8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.268 30.116 6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.956 30.045 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.005 28.696 6.256 1.00 0.00 H new ATOM 1231 N GLY A 75 16.480 23.355 8.754 1.00 0.00 N ATOM 1232 CA GLY A 75 15.269 22.564 8.871 1.00 0.00 C ATOM 1233 C GLY A 75 15.007 21.720 7.639 1.00 0.00 C ATOM 1234 O GLY A 75 14.021 20.985 7.579 1.00 0.00 O ATOM 0 H GLY A 75 17.298 22.841 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.346 21.915 9.743 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.421 23.227 9.041 1.00 0.00 H new ATOM 1238 N LYS A 76 15.890 21.826 6.652 1.00 0.00 N ATOM 1239 CA LYS A 76 15.751 21.067 5.415 1.00 0.00 C ATOM 1240 C LYS A 76 16.358 19.676 5.558 1.00 0.00 C ATOM 1241 O LYS A 76 16.443 18.921 4.589 1.00 0.00 O ATOM 1242 CB LYS A 76 16.421 21.811 4.258 1.00 0.00 C ATOM 1243 CG LYS A 76 15.438 22.485 3.317 1.00 0.00 C ATOM 1244 CD LYS A 76 14.621 23.549 4.031 1.00 0.00 C ATOM 1245 CE LYS A 76 14.056 24.568 3.053 1.00 0.00 C ATOM 1246 NZ LYS A 76 12.996 23.979 2.189 1.00 0.00 N ATOM 0 H LYS A 76 16.711 22.431 6.685 1.00 0.00 H new ATOM 0 HA LYS A 76 14.687 20.959 5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.097 22.564 4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.031 21.108 3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.980 22.938 2.487 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.769 21.737 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.805 23.077 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.246 24.056 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.646 25.413 3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.860 24.956 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.637 24.705 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.393 23.188 1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.217 23.632 2.784 1.00 0.00 H new ATOM 1260 N LEU A 77 16.779 19.341 6.773 1.00 0.00 N ATOM 1261 CA LEU A 77 17.378 18.039 7.044 1.00 0.00 C ATOM 1262 C LEU A 77 16.438 16.911 6.630 1.00 0.00 C ATOM 1263 O LEU A 77 16.851 15.956 5.971 1.00 0.00 O ATOM 1264 CB LEU A 77 17.721 17.912 8.530 1.00 0.00 C ATOM 1265 CG LEU A 77 18.132 16.519 9.007 1.00 0.00 C ATOM 1266 CD1 LEU A 77 19.145 16.620 10.137 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.912 15.725 9.450 1.00 0.00 C ATOM 0 H LEU A 77 16.716 19.953 7.586 1.00 0.00 H new ATOM 0 HA LEU A 77 18.294 17.959 6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.531 18.605 8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.856 18.233 9.111 1.00 0.00 H new ATOM 0 HG LEU A 77 18.599 15.993 8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.426 15.619 10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.031 17.149 9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.705 17.164 10.973 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.224 14.736 9.786 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.416 16.247 10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.221 15.622 8.613 1.00 0.00 H new ATOM 1279 N ASP A 78 15.173 17.029 7.017 1.00 0.00 N ATOM 1280 CA ASP A 78 14.174 16.021 6.683 1.00 0.00 C ATOM 1281 C ASP A 78 14.198 15.706 5.191 1.00 0.00 C ATOM 1282 O ASP A 78 14.097 14.547 4.789 1.00 0.00 O ATOM 1283 CB ASP A 78 12.780 16.498 7.094 1.00 0.00 C ATOM 1284 CG ASP A 78 12.590 16.503 8.598 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.365 15.416 9.171 1.00 0.00 O ATOM 1286 OD2 ASP A 78 12.664 17.593 9.203 1.00 0.00 O ATOM 0 H ASP A 78 14.815 17.813 7.563 1.00 0.00 H new ATOM 0 HA ASP A 78 14.414 15.111 7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.614 17.503 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.029 15.853 6.638 1.00 0.00 H new ATOM 1291 N SER A 79 14.330 16.746 4.373 1.00 0.00 N ATOM 1292 CA SER A 79 14.362 16.581 2.925 1.00 0.00 C ATOM 1293 C SER A 79 15.663 15.917 2.483 1.00 0.00 C ATOM 1294 O SER A 79 15.653 14.968 1.697 1.00 0.00 O ATOM 1295 CB SER A 79 14.207 17.936 2.232 1.00 0.00 C ATOM 1296 OG SER A 79 14.363 17.812 0.829 1.00 0.00 O ATOM 0 H SER A 79 14.416 17.712 4.689 1.00 0.00 H new ATOM 0 HA SER A 79 13.530 15.938 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.225 18.353 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.947 18.635 2.623 1.00 0.00 H new ATOM 0 HG SER A 79 14.258 18.691 0.409 1.00 0.00 H new ATOM 1302 N LEU A 80 16.781 16.422 2.992 1.00 0.00 N ATOM 1303 CA LEU A 80 18.091 15.879 2.651 1.00 0.00 C ATOM 1304 C LEU A 80 18.168 14.392 2.982 1.00 0.00 C ATOM 1305 O LEU A 80 18.526 13.574 2.134 1.00 0.00 O ATOM 1306 CB LEU A 80 19.189 16.637 3.398 1.00 0.00 C ATOM 1307 CG LEU A 80 19.862 17.775 2.629 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.735 17.221 1.513 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.819 18.730 2.068 1.00 0.00 C ATOM 0 H LEU A 80 16.807 17.207 3.643 1.00 0.00 H new ATOM 0 HA LEU A 80 18.239 16.001 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.762 17.047 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.957 15.923 3.697 1.00 0.00 H new ATOM 0 HG LEU A 80 20.498 18.329 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.206 18.045 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.505 16.578 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.120 16.643 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.316 19.533 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.157 18.189 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.235 19.153 2.886 1.00 0.00 H new ATOM 1321 N LEU A 81 17.827 14.049 4.220 1.00 0.00 N ATOM 1322 CA LEU A 81 17.855 12.660 4.663 1.00 0.00 C ATOM 1323 C LEU A 81 16.858 11.816 3.876 1.00 0.00 C ATOM 1324 O LEU A 81 17.168 10.701 3.459 1.00 0.00 O ATOM 1325 CB LEU A 81 17.543 12.575 6.159 1.00 0.00 C ATOM 1326 CG LEU A 81 18.421 13.427 7.077 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.452 12.841 8.479 1.00 0.00 C ATOM 1328 CD2 LEU A 81 19.829 13.541 6.513 1.00 0.00 C ATOM 0 H LEU A 81 17.528 14.714 4.934 1.00 0.00 H new ATOM 0 HA LEU A 81 18.856 12.268 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.504 12.867 6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 81 17.630 11.534 6.469 1.00 0.00 H new ATOM 0 HG LEU A 81 17.992 14.427 7.133 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.081 13.460 9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.440 12.812 8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.857 11.830 8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.440 14.151 7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.268 12.547 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 81 19.790 14.007 5.529 1.00 0.00 H new ATOM 1340 N GLN A 82 15.661 12.358 3.674 1.00 0.00 N ATOM 1341 CA GLN A 82 14.619 11.656 2.935 1.00 0.00 C ATOM 1342 C GLN A 82 15.089 11.313 1.525 1.00 0.00 C ATOM 1343 O GLN A 82 14.722 10.276 0.973 1.00 0.00 O ATOM 1344 CB GLN A 82 13.349 12.505 2.870 1.00 0.00 C ATOM 1345 CG GLN A 82 12.268 11.917 1.978 1.00 0.00 C ATOM 1346 CD GLN A 82 12.097 10.424 2.176 1.00 0.00 C ATOM 1347 OE1 GLN A 82 12.020 9.662 1.212 1.00 0.00 O ATOM 1348 NE2 GLN A 82 12.037 9.996 3.432 1.00 0.00 N ATOM 0 H GLN A 82 15.389 13.281 4.012 1.00 0.00 H new ATOM 0 HA GLN A 82 14.399 10.727 3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.951 12.626 3.878 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.606 13.500 2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.322 12.418 2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.515 12.116 0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.105 10.662 4.202 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.923 9.001 3.627 1.00 0.00 H new ATOM 1357 N ASP A 83 15.902 12.191 0.948 1.00 0.00 N ATOM 1358 CA ASP A 83 16.423 11.982 -0.398 1.00 0.00 C ATOM 1359 C ASP A 83 17.536 10.939 -0.393 1.00 0.00 C ATOM 1360 O ASP A 83 17.415 9.883 -1.015 1.00 0.00 O ATOM 1361 CB ASP A 83 16.942 13.298 -0.978 1.00 0.00 C ATOM 1362 CG ASP A 83 16.943 13.303 -2.494 1.00 0.00 C ATOM 1363 OD1 ASP A 83 17.403 12.307 -3.090 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.482 14.303 -3.083 1.00 0.00 O ATOM 0 H ASP A 83 16.215 13.055 1.392 1.00 0.00 H new ATOM 0 HA ASP A 83 15.609 11.616 -1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.325 14.120 -0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.955 13.477 -0.616 1.00 0.00 H new ATOM 1369 N VAL A 84 18.622 11.243 0.311 1.00 0.00 N ATOM 1370 CA VAL A 84 19.758 10.333 0.396 1.00 0.00 C ATOM 1371 C VAL A 84 19.317 8.945 0.848 1.00 0.00 C ATOM 1372 O VAL A 84 19.897 7.936 0.448 1.00 0.00 O ATOM 1373 CB VAL A 84 20.829 10.861 1.369 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.341 12.219 0.913 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.272 10.939 2.783 1.00 0.00 C ATOM 0 H VAL A 84 18.739 12.113 0.831 1.00 0.00 H new ATOM 0 HA VAL A 84 20.187 10.268 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 84 21.668 10.165 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.097 12.576 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.780 12.127 -0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.513 12.928 0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 84 21.042 11.314 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.415 11.613 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.959 9.946 3.106 1.00 0.00 H new ATOM 1385 N HIS A 85 18.285 8.902 1.686 1.00 0.00 N ATOM 1386 CA HIS A 85 17.764 7.637 2.192 1.00 0.00 C ATOM 1387 C HIS A 85 17.384 6.707 1.044 1.00 0.00 C ATOM 1388 O HIS A 85 17.674 5.511 1.079 1.00 0.00 O ATOM 1389 CB HIS A 85 16.550 7.883 3.088 1.00 0.00 C ATOM 1390 CG HIS A 85 15.898 6.624 3.572 1.00 0.00 C ATOM 1391 ND1 HIS A 85 14.765 6.093 2.993 1.00 0.00 N ATOM 1392 CD2 HIS A 85 16.227 5.790 4.586 1.00 0.00 C ATOM 1393 CE1 HIS A 85 14.424 4.987 3.631 1.00 0.00 C ATOM 1394 NE2 HIS A 85 15.296 4.781 4.601 1.00 0.00 N ATOM 0 H HIS A 85 17.794 9.728 2.028 1.00 0.00 H new ATOM 0 HA HIS A 85 18.548 7.159 2.779 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.858 8.477 3.949 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.817 8.474 2.539 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.066 5.898 5.258 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.577 4.359 3.399 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.280 3.999 5.256 1.00 0.00 H new TER 1402 HIS A 85