USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 598 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 27 THR OG1 : rot 129:sc= 1.15 USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.628 USER MOD Single : A 4 ASN : amide:sc= 0.176 K(o=0.18,f=-6.1!) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0161) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 8 TYR OH : rot 0:sc= -0.113 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 167:sc= -0.107 (180deg=-0.447) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0964 K(o=-0.096,f=-1.7!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 19 CYS SG : rot -164:sc= 1.14 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0233 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -140:sc= -1.08 USER MOD Single : A 28 TYR OH : rot 143:sc= 1.69 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -31:sc=0.000876 USER MOD Single : A 33 ASN : amide:sc=-0.00412 X(o=-0.0041,f=-0.28) USER MOD Single : A 35 SER OG : rot 147:sc= 1.57 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00219 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 27:sc= 0.293 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= 0.735 (180deg=-0.338!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.184 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0666) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00433 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -164:sc= 1.29 USER MOD Single : A 72 ASN : amide:sc= 0.0169 K(o=0.017,f=-1.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ASN A 4 21.786 25.004 28.415 1.00 0.00 N ATOM 47 CA ASN A 4 22.078 23.610 28.120 1.00 0.00 C ATOM 48 C ASN A 4 23.432 23.159 28.707 1.00 0.00 C ATOM 49 O ASN A 4 24.483 23.541 28.197 1.00 0.00 O ATOM 50 CB ASN A 4 22.009 23.426 26.599 1.00 0.00 C ATOM 51 CG ASN A 4 21.871 21.963 26.232 1.00 0.00 C ATOM 52 OD1 ASN A 4 22.472 21.088 26.846 1.00 0.00 O ATOM 53 ND2 ASN A 4 21.029 21.667 25.280 1.00 0.00 N ATOM 0 HA ASN A 4 21.337 22.970 28.599 1.00 0.00 H new ATOM 0 HB2 ASN A 4 21.163 23.985 26.200 1.00 0.00 H new ATOM 0 HB3 ASN A 4 22.908 23.836 26.139 1.00 0.00 H new ATOM 0 HD21 ASN A 4 20.860 20.692 25.034 1.00 0.00 H new ATOM 0 HD22 ASN A 4 20.540 22.411 24.782 1.00 0.00 H new ATOM 60 N LYS A 5 23.437 22.292 29.730 1.00 0.00 N ATOM 61 CA LYS A 5 24.661 21.767 30.385 1.00 0.00 C ATOM 62 C LYS A 5 25.536 20.865 29.478 1.00 0.00 C ATOM 63 O LYS A 5 26.549 20.364 29.970 1.00 0.00 O ATOM 64 CB LYS A 5 24.294 21.018 31.692 1.00 0.00 C ATOM 65 CG LYS A 5 23.681 21.863 32.824 1.00 0.00 C ATOM 66 CD LYS A 5 23.343 21.061 34.083 1.00 0.00 C ATOM 67 CE LYS A 5 22.690 21.914 35.177 1.00 0.00 C ATOM 68 NZ LYS A 5 23.577 22.991 35.682 1.00 0.00 N1+ ATOM 0 H LYS A 5 22.578 21.924 30.139 1.00 0.00 H new ATOM 0 HA LYS A 5 25.272 22.641 30.611 1.00 0.00 H new ATOM 0 HB2 LYS A 5 23.592 20.222 31.443 1.00 0.00 H new ATOM 0 HB3 LYS A 5 25.195 20.539 32.075 1.00 0.00 H new ATOM 0 HG2 LYS A 5 24.377 22.659 33.088 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.774 22.342 32.456 1.00 0.00 H new ATOM 0 HD2 LYS A 5 22.672 20.244 33.818 1.00 0.00 H new ATOM 0 HD3 LYS A 5 24.254 20.611 34.476 1.00 0.00 H new ATOM 0 HE2 LYS A 5 21.775 22.359 34.785 1.00 0.00 H new ATOM 0 HE3 LYS A 5 22.401 21.270 36.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 23.107 23.489 36.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 24.468 22.576 36.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 23.778 23.663 34.915 1.00 0.00 H new ATOM 82 N ASN A 6 25.189 20.672 28.198 1.00 0.00 N ATOM 83 CA ASN A 6 26.064 20.119 27.154 1.00 0.00 C ATOM 84 C ASN A 6 27.015 21.204 26.596 1.00 0.00 C ATOM 85 O ASN A 6 28.175 21.263 26.989 1.00 0.00 O ATOM 86 CB ASN A 6 25.196 19.440 26.072 1.00 0.00 C ATOM 87 CG ASN A 6 25.995 18.725 24.991 1.00 0.00 C ATOM 88 OD1 ASN A 6 27.067 18.182 25.214 1.00 0.00 O ATOM 89 ND2 ASN A 6 25.495 18.697 23.780 1.00 0.00 N ATOM 0 H ASN A 6 24.259 20.905 27.849 1.00 0.00 H new ATOM 0 HA ASN A 6 26.715 19.353 27.576 1.00 0.00 H new ATOM 0 HB2 ASN A 6 24.532 18.722 26.553 1.00 0.00 H new ATOM 0 HB3 ASN A 6 24.564 20.194 25.603 1.00 0.00 H new ATOM 0 HD21 ASN A 6 26.000 18.224 23.031 1.00 0.00 H new ATOM 0 HD22 ASN A 6 24.601 19.148 23.587 1.00 0.00 H new ATOM 96 N GLU A 7 26.546 22.125 25.745 1.00 0.00 N ATOM 97 CA GLU A 7 27.370 23.192 25.176 1.00 0.00 C ATOM 98 C GLU A 7 27.778 24.249 26.221 1.00 0.00 C ATOM 99 O GLU A 7 28.945 24.637 26.294 1.00 0.00 O ATOM 100 CB GLU A 7 26.589 23.789 23.992 1.00 0.00 C ATOM 101 CG GLU A 7 27.250 25.053 23.453 1.00 0.00 C ATOM 102 CD GLU A 7 26.900 25.373 21.991 1.00 0.00 C ATOM 103 OE1 GLU A 7 26.585 26.545 21.677 1.00 0.00 O ATOM 104 OE2 GLU A 7 26.978 24.486 21.112 1.00 0.00 O ATOM 0 H GLU A 7 25.576 22.148 25.431 1.00 0.00 H new ATOM 0 HA GLU A 7 28.319 22.786 24.826 1.00 0.00 H new ATOM 0 HB2 GLU A 7 26.517 23.049 23.195 1.00 0.00 H new ATOM 0 HB3 GLU A 7 25.571 24.018 24.307 1.00 0.00 H new ATOM 0 HG2 GLU A 7 26.958 25.897 24.078 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.331 24.950 23.542 1.00 0.00 H new ATOM 111 N TYR A 8 26.856 24.666 27.095 1.00 0.00 N ATOM 112 CA TYR A 8 27.137 25.606 28.187 1.00 0.00 C ATOM 113 C TYR A 8 28.059 25.014 29.260 1.00 0.00 C ATOM 114 O TYR A 8 28.546 25.766 30.097 1.00 0.00 O ATOM 115 CB TYR A 8 25.826 26.178 28.760 1.00 0.00 C ATOM 116 CG TYR A 8 25.972 27.576 29.334 1.00 0.00 C ATOM 117 CD1 TYR A 8 25.826 28.699 28.496 1.00 0.00 C ATOM 118 CD2 TYR A 8 26.291 27.755 30.693 1.00 0.00 C ATOM 119 CE1 TYR A 8 26.059 29.991 29.004 1.00 0.00 C ATOM 120 CE2 TYR A 8 26.543 29.041 31.203 1.00 0.00 C ATOM 121 CZ TYR A 8 26.452 30.159 30.348 1.00 0.00 C ATOM 122 OH TYR A 8 26.787 31.392 30.802 1.00 0.00 O ATOM 0 H TYR A 8 25.884 24.358 27.065 1.00 0.00 H new ATOM 0 HA TYR A 8 27.699 26.441 27.769 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.072 26.194 27.973 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.458 25.511 29.540 1.00 0.00 H new ATOM 0 HD1 TYR A 8 25.535 28.569 27.464 1.00 0.00 H new ATOM 0 HD2 TYR A 8 26.343 26.899 31.349 1.00 0.00 H new ATOM 0 HE1 TYR A 8 25.937 30.853 28.365 1.00 0.00 H new ATOM 0 HE2 TYR A 8 26.805 29.172 32.243 1.00 0.00 H new ATOM 0 HH TYR A 8 26.703 32.043 30.074 1.00 0.00 H new ATOM 132 N LYS A 9 28.387 23.708 29.225 1.00 0.00 N ATOM 133 CA LYS A 9 29.243 23.058 30.236 1.00 0.00 C ATOM 134 C LYS A 9 30.553 23.808 30.469 1.00 0.00 C ATOM 135 O LYS A 9 30.953 23.997 31.611 1.00 0.00 O ATOM 136 CB LYS A 9 29.563 21.614 29.821 1.00 0.00 C ATOM 137 CG LYS A 9 29.911 20.749 31.038 1.00 0.00 C ATOM 138 CD LYS A 9 30.116 19.273 30.650 1.00 0.00 C ATOM 139 CE LYS A 9 30.364 18.423 31.900 1.00 0.00 C ATOM 140 NZ LYS A 9 30.426 16.981 31.563 1.00 0.00 N1+ ATOM 0 H LYS A 9 28.065 23.073 28.494 1.00 0.00 H new ATOM 0 HA LYS A 9 28.679 23.068 31.168 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.707 21.185 29.300 1.00 0.00 H new ATOM 0 HB3 LYS A 9 30.397 21.611 29.120 1.00 0.00 H new ATOM 0 HG2 LYS A 9 30.817 21.131 31.508 1.00 0.00 H new ATOM 0 HG3 LYS A 9 29.113 20.823 31.777 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.238 18.904 30.120 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.961 19.184 29.968 1.00 0.00 H new ATOM 0 HE2 LYS A 9 31.297 18.729 32.372 1.00 0.00 H new ATOM 0 HE3 LYS A 9 29.568 18.596 32.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 30.595 16.429 32.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 29.526 16.686 31.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 31.201 16.815 30.890 1.00 0.00 H new ATOM 154 N ILE A 10 31.182 24.299 29.400 1.00 0.00 N ATOM 155 CA ILE A 10 32.408 25.109 29.459 1.00 0.00 C ATOM 156 C ILE A 10 32.200 26.377 30.301 1.00 0.00 C ATOM 157 O ILE A 10 32.971 26.653 31.219 1.00 0.00 O ATOM 158 CB ILE A 10 32.843 25.465 28.021 1.00 0.00 C ATOM 159 CG1 ILE A 10 33.223 24.226 27.186 1.00 0.00 C ATOM 160 CG2 ILE A 10 33.952 26.530 28.026 1.00 0.00 C ATOM 161 CD1 ILE A 10 34.613 23.680 27.479 1.00 0.00 C ATOM 0 H ILE A 10 30.850 24.144 28.448 1.00 0.00 H new ATOM 0 HA ILE A 10 33.195 24.531 29.944 1.00 0.00 H new ATOM 0 HB ILE A 10 31.975 25.897 27.524 1.00 0.00 H new ATOM 0 HG12 ILE A 10 32.490 23.440 27.368 1.00 0.00 H new ATOM 0 HG13 ILE A 10 33.160 24.481 26.128 1.00 0.00 H new ATOM 0 HG21 ILE A 10 34.239 26.761 27.000 1.00 0.00 H new ATOM 0 HG22 ILE A 10 33.586 27.434 28.513 1.00 0.00 H new ATOM 0 HG23 ILE A 10 34.818 26.151 28.568 1.00 0.00 H new ATOM 0 HD11 ILE A 10 34.802 22.810 26.850 1.00 0.00 H new ATOM 0 HD12 ILE A 10 35.357 24.448 27.269 1.00 0.00 H new ATOM 0 HD13 ILE A 10 34.677 23.391 28.528 1.00 0.00 H new ATOM 173 N LEU A 11 31.115 27.111 30.034 1.00 0.00 N ATOM 174 CA LEU A 11 30.711 28.308 30.777 1.00 0.00 C ATOM 175 C LEU A 11 30.222 27.987 32.214 1.00 0.00 C ATOM 176 O LEU A 11 30.050 28.901 33.019 1.00 0.00 O ATOM 177 CB LEU A 11 29.715 29.127 29.924 1.00 0.00 C ATOM 178 CG LEU A 11 30.281 29.674 28.586 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.178 30.272 27.721 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.351 30.748 28.799 1.00 0.00 C ATOM 0 H LEU A 11 30.476 26.882 29.273 1.00 0.00 H new ATOM 0 HA LEU A 11 31.584 28.939 30.946 1.00 0.00 H new ATOM 0 HB2 LEU A 11 28.850 28.501 29.705 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.358 29.968 30.519 1.00 0.00 H new ATOM 0 HG LEU A 11 30.731 28.817 28.085 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.607 30.646 26.791 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.436 29.506 27.496 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.700 31.093 28.256 1.00 0.00 H new ATOM 0 HD21 LEU A 11 31.714 31.097 27.832 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.922 31.585 29.349 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.181 30.327 29.367 1.00 0.00 H new ATOM 192 N ILE A 12 30.084 26.702 32.574 1.00 0.00 N ATOM 193 CA ILE A 12 29.889 26.218 33.957 1.00 0.00 C ATOM 194 C ILE A 12 31.224 25.889 34.654 1.00 0.00 C ATOM 195 O ILE A 12 31.377 26.192 35.837 1.00 0.00 O ATOM 196 CB ILE A 12 28.920 25.010 34.009 1.00 0.00 C ATOM 197 CG1 ILE A 12 27.550 25.314 33.365 1.00 0.00 C ATOM 198 CG2 ILE A 12 28.728 24.495 35.449 1.00 0.00 C ATOM 199 CD1 ILE A 12 26.733 26.421 34.046 1.00 0.00 C ATOM 0 H ILE A 12 30.105 25.944 31.892 1.00 0.00 H new ATOM 0 HA ILE A 12 29.430 27.037 34.511 1.00 0.00 H new ATOM 0 HB ILE A 12 29.392 24.225 33.418 1.00 0.00 H new ATOM 0 HG12 ILE A 12 27.711 25.593 32.324 1.00 0.00 H new ATOM 0 HG13 ILE A 12 26.958 24.399 33.362 1.00 0.00 H new ATOM 0 HG21 ILE A 12 28.042 23.648 35.444 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.690 24.181 35.854 1.00 0.00 H new ATOM 0 HG23 ILE A 12 28.316 25.292 36.068 1.00 0.00 H new ATOM 0 HD11 ILE A 12 25.790 26.555 33.516 1.00 0.00 H new ATOM 0 HD12 ILE A 12 26.532 26.141 35.080 1.00 0.00 H new ATOM 0 HD13 ILE A 12 27.296 27.354 34.026 1.00 0.00 H new ATOM 211 N MET A 13 32.219 25.325 33.952 1.00 0.00 N ATOM 212 CA MET A 13 33.513 24.932 34.542 1.00 0.00 C ATOM 213 C MET A 13 34.166 26.097 35.296 1.00 0.00 C ATOM 214 O MET A 13 34.546 25.969 36.462 1.00 0.00 O ATOM 215 CB MET A 13 34.488 24.443 33.453 1.00 0.00 C ATOM 216 CG MET A 13 34.029 23.175 32.734 1.00 0.00 C ATOM 217 SD MET A 13 35.016 22.742 31.281 1.00 0.00 S ATOM 218 CE MET A 13 33.907 21.508 30.549 1.00 0.00 C ATOM 0 H MET A 13 32.150 25.127 32.954 1.00 0.00 H new ATOM 0 HA MET A 13 33.306 24.124 35.243 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.624 25.236 32.718 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.462 24.259 33.907 1.00 0.00 H new ATOM 0 HG2 MET A 13 34.056 22.343 33.438 1.00 0.00 H new ATOM 0 HG3 MET A 13 32.990 23.301 32.428 1.00 0.00 H new ATOM 0 HE1 MET A 13 34.227 21.290 29.530 1.00 0.00 H new ATOM 0 HE2 MET A 13 33.937 20.594 31.142 1.00 0.00 H new ATOM 0 HE3 MET A 13 32.889 21.897 30.534 1.00 0.00 H new ATOM 228 N LEU A 14 34.254 27.254 34.637 1.00 0.00 N ATOM 229 CA LEU A 14 34.847 28.473 35.190 1.00 0.00 C ATOM 230 C LEU A 14 33.814 29.377 35.877 1.00 0.00 C ATOM 231 O LEU A 14 34.150 30.510 36.202 1.00 0.00 O ATOM 232 CB LEU A 14 35.505 29.343 34.105 1.00 0.00 C ATOM 233 CG LEU A 14 35.129 29.082 32.634 1.00 0.00 C ATOM 234 CD1 LEU A 14 33.726 29.609 32.348 1.00 0.00 C ATOM 235 CD2 LEU A 14 36.079 29.820 31.710 1.00 0.00 C ATOM 0 H LEU A 14 33.908 27.372 33.685 1.00 0.00 H new ATOM 0 HA LEU A 14 35.582 28.109 35.908 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.273 30.385 34.328 1.00 0.00 H new ATOM 0 HB3 LEU A 14 36.585 29.230 34.197 1.00 0.00 H new ATOM 0 HG LEU A 14 35.182 28.007 32.464 1.00 0.00 H new ATOM 0 HD11 LEU A 14 33.471 29.419 31.305 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.009 29.104 32.995 1.00 0.00 H new ATOM 0 HD13 LEU A 14 33.694 30.682 32.539 1.00 0.00 H new ATOM 0 HD21 LEU A 14 35.802 29.627 30.674 1.00 0.00 H new ATOM 0 HD22 LEU A 14 36.021 30.890 31.908 1.00 0.00 H new ATOM 0 HD23 LEU A 14 37.098 29.474 31.884 1.00 0.00 H new ATOM 247 N LYS A 15 32.648 28.816 36.190 1.00 0.00 N ATOM 248 CA LYS A 15 31.674 29.497 37.025 1.00 0.00 C ATOM 249 C LYS A 15 32.086 29.147 38.473 1.00 0.00 C ATOM 250 O LYS A 15 32.103 30.002 39.359 1.00 0.00 O ATOM 251 CB LYS A 15 30.258 29.009 36.726 1.00 0.00 C ATOM 252 CG LYS A 15 29.160 29.819 37.398 1.00 0.00 C ATOM 253 CD LYS A 15 29.086 29.546 38.892 1.00 0.00 C ATOM 254 CE LYS A 15 27.868 30.207 39.517 1.00 0.00 C ATOM 255 NZ LYS A 15 27.754 29.914 40.973 1.00 0.00 N1+ ATOM 0 H LYS A 15 32.359 27.890 35.875 1.00 0.00 H new ATOM 0 HA LYS A 15 31.663 30.573 36.849 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.100 29.029 35.648 1.00 0.00 H new ATOM 0 HB3 LYS A 15 30.171 27.969 37.041 1.00 0.00 H new ATOM 0 HG2 LYS A 15 29.339 30.881 37.232 1.00 0.00 H new ATOM 0 HG3 LYS A 15 28.201 29.582 36.938 1.00 0.00 H new ATOM 0 HD2 LYS A 15 29.047 28.471 39.065 1.00 0.00 H new ATOM 0 HD3 LYS A 15 29.990 29.915 39.376 1.00 0.00 H new ATOM 0 HE2 LYS A 15 27.926 31.285 39.369 1.00 0.00 H new ATOM 0 HE3 LYS A 15 26.968 29.863 39.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 26.910 30.385 41.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 27.672 28.887 41.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 28.600 30.265 41.465 1.00 0.00 H new ATOM 269 N GLU A 16 32.415 27.866 38.677 1.00 0.00 N ATOM 270 CA GLU A 16 32.864 27.337 39.974 1.00 0.00 C ATOM 271 C GLU A 16 34.379 27.472 40.180 1.00 0.00 C ATOM 272 O GLU A 16 34.810 28.077 41.162 1.00 0.00 O ATOM 273 CB GLU A 16 32.383 25.889 40.147 1.00 0.00 C ATOM 274 CG GLU A 16 30.860 25.804 40.343 1.00 0.00 C ATOM 275 CD GLU A 16 30.420 26.374 41.702 1.00 0.00 C ATOM 276 OE1 GLU A 16 30.147 27.597 41.790 1.00 0.00 O ATOM 277 OE2 GLU A 16 30.335 25.595 42.678 1.00 0.00 O ATOM 0 H GLU A 16 32.377 27.160 37.942 1.00 0.00 H new ATOM 0 HA GLU A 16 32.410 27.947 40.755 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.668 25.306 39.271 1.00 0.00 H new ATOM 0 HB3 GLU A 16 32.884 25.441 41.005 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.361 26.350 39.542 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.542 24.764 40.266 1.00 0.00 H new ATOM 284 N ASN A 17 35.136 27.021 39.185 1.00 0.00 N ATOM 285 CA ASN A 17 36.588 27.127 39.178 1.00 0.00 C ATOM 286 C ASN A 17 36.956 28.611 39.208 1.00 0.00 C ATOM 287 O ASN A 17 37.989 28.980 39.764 1.00 0.00 O ATOM 288 CB ASN A 17 37.177 26.461 37.933 1.00 0.00 C ATOM 289 CG ASN A 17 37.213 24.949 38.040 1.00 0.00 C ATOM 290 OD1 ASN A 17 37.209 24.394 39.139 1.00 0.00 O ATOM 291 ND2 ASN A 17 37.249 24.273 36.897 1.00 0.00 N ATOM 0 H ASN A 17 34.754 26.568 38.355 1.00 0.00 H new ATOM 0 HA ASN A 17 36.998 26.617 40.049 1.00 0.00 H new ATOM 0 HB2 ASN A 17 36.588 26.746 37.061 1.00 0.00 H new ATOM 0 HB3 ASN A 17 38.188 26.834 37.770 1.00 0.00 H new ATOM 0 HD21 ASN A 17 37.275 23.253 36.908 1.00 0.00 H new ATOM 0 HD22 ASN A 17 37.251 24.774 36.008 1.00 0.00 H new ATOM 298 N GLN A 18 36.115 29.366 38.551 1.00 0.00 N ATOM 299 CA GLN A 18 36.216 30.835 38.444 1.00 0.00 C ATOM 300 C GLN A 18 37.394 31.365 37.617 1.00 0.00 C ATOM 301 O GLN A 18 37.848 32.492 37.814 1.00 0.00 O ATOM 302 CB GLN A 18 36.105 31.536 39.819 1.00 0.00 C ATOM 303 CG GLN A 18 37.414 31.786 40.557 1.00 0.00 C ATOM 304 CD GLN A 18 37.210 32.476 41.891 1.00 0.00 C ATOM 305 OE1 GLN A 18 36.115 32.453 42.453 1.00 0.00 O ATOM 306 NE2 GLN A 18 38.266 33.094 42.406 1.00 0.00 N ATOM 0 H GLN A 18 35.310 28.984 38.054 1.00 0.00 H new ATOM 0 HA GLN A 18 35.340 31.109 37.856 1.00 0.00 H new ATOM 0 HB2 GLN A 18 35.605 32.494 39.675 1.00 0.00 H new ATOM 0 HB3 GLN A 18 35.461 30.933 40.459 1.00 0.00 H new ATOM 0 HG2 GLN A 18 37.923 30.836 40.718 1.00 0.00 H new ATOM 0 HG3 GLN A 18 38.067 32.396 39.933 1.00 0.00 H new ATOM 0 HE21 GLN A 18 39.155 33.088 41.906 1.00 0.00 H new ATOM 0 HE22 GLN A 18 38.189 33.575 43.302 1.00 0.00 H new ATOM 315 N CYS A 19 37.874 30.612 36.654 1.00 0.00 N ATOM 316 CA CYS A 19 38.950 31.049 35.776 1.00 0.00 C ATOM 317 C CYS A 19 38.269 31.852 34.674 1.00 0.00 C ATOM 318 O CYS A 19 38.179 31.421 33.525 1.00 0.00 O ATOM 319 CB CYS A 19 39.702 29.855 35.191 1.00 0.00 C ATOM 320 SG CYS A 19 41.113 30.306 34.154 1.00 0.00 S ATOM 0 H CYS A 19 37.531 29.673 36.452 1.00 0.00 H new ATOM 0 HA CYS A 19 39.691 31.642 36.313 1.00 0.00 H new ATOM 0 HB2 CYS A 19 40.052 29.224 36.008 1.00 0.00 H new ATOM 0 HB3 CYS A 19 39.008 29.256 34.601 1.00 0.00 H new ATOM 0 HG CYS A 19 41.474 29.280 33.442 1.00 0.00 H new ATOM 326 N THR A 20 37.554 32.895 35.094 1.00 0.00 N ATOM 327 CA THR A 20 36.775 33.718 34.167 1.00 0.00 C ATOM 328 C THR A 20 36.874 35.228 34.378 1.00 0.00 C ATOM 329 O THR A 20 35.940 35.852 34.881 1.00 0.00 O ATOM 330 CB THR A 20 35.283 33.336 34.223 1.00 0.00 C ATOM 331 OG1 THR A 20 34.547 34.121 33.277 1.00 0.00 O ATOM 332 CG2 THR A 20 34.722 33.570 35.618 1.00 0.00 C ATOM 0 H THR A 20 37.497 33.191 36.069 1.00 0.00 H new ATOM 0 HA THR A 20 37.221 33.504 33.196 1.00 0.00 H new ATOM 0 HB THR A 20 35.187 32.278 33.978 1.00 0.00 H new ATOM 0 HG1 THR A 20 33.599 33.874 33.314 1.00 0.00 H new ATOM 0 HG21 THR A 20 33.668 33.294 35.637 1.00 0.00 H new ATOM 0 HG22 THR A 20 35.269 32.961 36.337 1.00 0.00 H new ATOM 0 HG23 THR A 20 34.827 34.623 35.880 1.00 0.00 H new ATOM 340 N THR A 21 38.001 35.808 33.993 1.00 0.00 N ATOM 341 CA THR A 21 38.210 37.248 34.115 1.00 0.00 C ATOM 342 C THR A 21 39.021 37.719 32.913 1.00 0.00 C ATOM 343 O THR A 21 39.570 36.906 32.181 1.00 0.00 O ATOM 344 CB THR A 21 38.881 37.648 35.449 1.00 0.00 C ATOM 345 OG1 THR A 21 38.862 39.074 35.587 1.00 0.00 O ATOM 346 CG2 THR A 21 40.317 37.155 35.526 1.00 0.00 C ATOM 0 H THR A 21 38.790 35.303 33.591 1.00 0.00 H new ATOM 0 HA THR A 21 37.238 37.742 34.126 1.00 0.00 H new ATOM 0 HB THR A 21 38.319 37.182 36.258 1.00 0.00 H new ATOM 0 HG1 THR A 21 39.286 39.326 36.434 1.00 0.00 H new ATOM 0 HG21 THR A 21 40.754 37.456 36.478 1.00 0.00 H new ATOM 0 HG22 THR A 21 40.333 36.068 35.446 1.00 0.00 H new ATOM 0 HG23 THR A 21 40.894 37.587 34.709 1.00 0.00 H new ATOM 354 N GLU A 22 39.091 39.026 32.687 1.00 0.00 N ATOM 355 CA GLU A 22 39.839 39.543 31.543 1.00 0.00 C ATOM 356 C GLU A 22 41.320 39.159 31.626 1.00 0.00 C ATOM 357 O GLU A 22 41.934 38.808 30.619 1.00 0.00 O ATOM 358 CB GLU A 22 39.698 41.064 31.455 1.00 0.00 C ATOM 359 CG GLU A 22 38.291 41.536 31.123 1.00 0.00 C ATOM 360 CD GLU A 22 38.170 43.047 31.116 1.00 0.00 C ATOM 361 OE1 GLU A 22 39.125 43.724 31.552 1.00 0.00 O ATOM 362 OE2 GLU A 22 37.120 43.558 30.675 1.00 0.00 O ATOM 0 H GLU A 22 38.648 39.738 33.268 1.00 0.00 H new ATOM 0 HA GLU A 22 39.420 39.093 30.643 1.00 0.00 H new ATOM 0 HB2 GLU A 22 40.003 41.503 32.405 1.00 0.00 H new ATOM 0 HB3 GLU A 22 40.385 41.439 30.696 1.00 0.00 H new ATOM 0 HG2 GLU A 22 38.002 41.147 30.146 1.00 0.00 H new ATOM 0 HG3 GLU A 22 37.592 41.122 31.850 1.00 0.00 H new ATOM 369 N LEU A 23 41.885 39.231 32.826 1.00 0.00 N ATOM 370 CA LEU A 23 43.280 38.878 33.057 1.00 0.00 C ATOM 371 C LEU A 23 43.594 37.403 32.773 1.00 0.00 C ATOM 372 O LEU A 23 44.660 37.089 32.243 1.00 0.00 O ATOM 373 CB LEU A 23 43.676 39.215 34.497 1.00 0.00 C ATOM 374 CG LEU A 23 44.121 40.658 34.748 1.00 0.00 C ATOM 375 CD1 LEU A 23 42.968 41.628 34.538 1.00 0.00 C ATOM 376 CD2 LEU A 23 44.698 40.803 36.148 1.00 0.00 C ATOM 0 H LEU A 23 41.390 39.535 33.664 1.00 0.00 H new ATOM 0 HA LEU A 23 43.864 39.468 32.351 1.00 0.00 H new ATOM 0 HB2 LEU A 23 42.828 38.999 35.147 1.00 0.00 H new ATOM 0 HB3 LEU A 23 44.485 38.549 34.796 1.00 0.00 H new ATOM 0 HG LEU A 23 44.901 40.902 34.027 1.00 0.00 H new ATOM 0 HD11 LEU A 23 43.311 42.646 34.723 1.00 0.00 H new ATOM 0 HD12 LEU A 23 42.607 41.547 33.513 1.00 0.00 H new ATOM 0 HD13 LEU A 23 42.159 41.387 35.228 1.00 0.00 H new ATOM 0 HD21 LEU A 23 45.009 41.835 36.308 1.00 0.00 H new ATOM 0 HD22 LEU A 23 43.940 40.534 36.884 1.00 0.00 H new ATOM 0 HD23 LEU A 23 45.559 40.144 36.257 1.00 0.00 H new ATOM 388 N LYS A 24 42.675 36.502 33.119 1.00 0.00 N ATOM 389 CA LYS A 24 42.916 35.067 32.941 1.00 0.00 C ATOM 390 C LYS A 24 42.354 34.449 31.657 1.00 0.00 C ATOM 391 O LYS A 24 41.154 34.443 31.400 1.00 0.00 O ATOM 392 CB LYS A 24 42.373 34.289 34.145 1.00 0.00 C ATOM 393 CG LYS A 24 42.844 34.805 35.497 1.00 0.00 C ATOM 394 CD LYS A 24 44.347 34.663 35.673 1.00 0.00 C ATOM 395 CE LYS A 24 44.954 35.912 36.291 1.00 0.00 C ATOM 396 NZ LYS A 24 46.430 35.799 36.448 1.00 0.00 N1+ ATOM 0 H LYS A 24 41.766 36.734 33.520 1.00 0.00 H new ATOM 0 HA LYS A 24 44.000 34.984 32.857 1.00 0.00 H new ATOM 0 HB2 LYS A 24 41.284 34.319 34.119 1.00 0.00 H new ATOM 0 HB3 LYS A 24 42.666 33.244 34.048 1.00 0.00 H new ATOM 0 HG2 LYS A 24 42.565 35.854 35.601 1.00 0.00 H new ATOM 0 HG3 LYS A 24 42.334 34.259 36.290 1.00 0.00 H new ATOM 0 HD2 LYS A 24 44.561 33.802 36.306 1.00 0.00 H new ATOM 0 HD3 LYS A 24 44.812 34.471 34.706 1.00 0.00 H new ATOM 0 HE2 LYS A 24 44.721 36.775 35.667 1.00 0.00 H new ATOM 0 HE3 LYS A 24 44.499 36.092 37.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 46.802 36.672 36.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 46.653 34.992 37.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 46.868 35.654 35.516 1.00 0.00 H new ATOM 410 N SER A 25 43.271 33.886 30.885 1.00 0.00 N ATOM 411 CA SER A 25 42.968 33.227 29.605 1.00 0.00 C ATOM 412 C SER A 25 43.203 31.712 29.714 1.00 0.00 C ATOM 413 O SER A 25 44.304 31.271 30.057 1.00 0.00 O ATOM 414 CB SER A 25 43.791 33.873 28.472 1.00 0.00 C ATOM 415 OG SER A 25 43.676 35.284 28.510 1.00 0.00 O ATOM 0 H SER A 25 44.262 33.869 31.125 1.00 0.00 H new ATOM 0 HA SER A 25 41.915 33.367 29.362 1.00 0.00 H new ATOM 0 HB2 SER A 25 44.838 33.586 28.568 1.00 0.00 H new ATOM 0 HB3 SER A 25 43.445 33.501 27.507 1.00 0.00 H new ATOM 0 HG SER A 25 43.605 35.631 27.596 1.00 0.00 H new ATOM 421 N PHE A 26 42.129 30.937 29.554 1.00 0.00 N ATOM 422 CA PHE A 26 42.188 29.479 29.700 1.00 0.00 C ATOM 423 C PHE A 26 42.644 28.795 28.424 1.00 0.00 C ATOM 424 O PHE A 26 42.084 29.019 27.351 1.00 0.00 O ATOM 425 CB PHE A 26 40.821 28.932 30.116 1.00 0.00 C ATOM 426 CG PHE A 26 40.847 28.160 31.404 1.00 0.00 C ATOM 427 CD1 PHE A 26 42.016 28.052 32.138 1.00 0.00 C ATOM 428 CD2 PHE A 26 39.703 27.540 31.879 1.00 0.00 C ATOM 429 CE1 PHE A 26 42.044 27.341 33.323 1.00 0.00 C ATOM 430 CE2 PHE A 26 39.724 26.827 33.063 1.00 0.00 C ATOM 431 CZ PHE A 26 40.897 26.728 33.786 1.00 0.00 C ATOM 0 H PHE A 26 41.203 31.296 29.322 1.00 0.00 H new ATOM 0 HA PHE A 26 42.923 29.263 30.476 1.00 0.00 H new ATOM 0 HB2 PHE A 26 40.122 29.762 30.214 1.00 0.00 H new ATOM 0 HB3 PHE A 26 40.441 28.287 29.324 1.00 0.00 H new ATOM 0 HD1 PHE A 26 42.917 28.529 31.780 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.783 27.615 31.317 1.00 0.00 H new ATOM 0 HE1 PHE A 26 42.962 27.265 33.886 1.00 0.00 H new ATOM 0 HE2 PHE A 26 38.825 26.348 33.422 1.00 0.00 H new ATOM 0 HZ PHE A 26 40.917 26.172 34.712 1.00 0.00 H new ATOM 441 N THR A 27 43.669 27.959 28.546 1.00 0.00 N ATOM 442 CA THR A 27 44.213 27.294 27.347 1.00 0.00 C ATOM 443 C THR A 27 43.345 26.122 26.885 1.00 0.00 C ATOM 444 O THR A 27 42.697 25.446 27.689 1.00 0.00 O ATOM 445 CB THR A 27 45.656 26.794 27.535 1.00 0.00 C ATOM 446 OG1 THR A 27 45.703 25.689 28.404 1.00 0.00 O ATOM 447 CG2 THR A 27 46.601 27.857 28.079 1.00 0.00 C ATOM 0 H THR A 27 44.132 27.725 29.424 1.00 0.00 H new ATOM 0 HA THR A 27 44.211 28.069 26.581 1.00 0.00 H new ATOM 0 HB THR A 27 45.989 26.516 26.535 1.00 0.00 H new ATOM 0 HG1 THR A 27 46.210 24.963 27.983 1.00 0.00 H new ATOM 0 HG21 THR A 27 47.600 27.435 28.186 1.00 0.00 H new ATOM 0 HG22 THR A 27 46.635 28.700 27.389 1.00 0.00 H new ATOM 0 HG23 THR A 27 46.245 28.197 29.051 1.00 0.00 H new ATOM 455 N TYR A 28 43.401 25.805 25.586 1.00 0.00 N ATOM 456 CA TYR A 28 42.752 24.605 25.052 1.00 0.00 C ATOM 457 C TYR A 28 43.261 23.318 25.707 1.00 0.00 C ATOM 458 O TYR A 28 42.458 22.426 25.941 1.00 0.00 O ATOM 459 CB TYR A 28 42.945 24.507 23.537 1.00 0.00 C ATOM 460 CG TYR A 28 42.270 25.602 22.743 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.865 25.654 22.696 1.00 0.00 C ATOM 462 CD2 TYR A 28 43.039 26.540 22.026 1.00 0.00 C ATOM 463 CE1 TYR A 28 40.223 26.654 21.944 1.00 0.00 C ATOM 464 CE2 TYR A 28 42.397 27.532 21.262 1.00 0.00 C ATOM 465 CZ TYR A 28 40.986 27.600 21.229 1.00 0.00 C ATOM 466 OH TYR A 28 40.354 28.536 20.479 1.00 0.00 O ATOM 0 H TYR A 28 43.889 26.364 24.886 1.00 0.00 H new ATOM 0 HA TYR A 28 41.692 24.706 25.284 1.00 0.00 H new ATOM 0 HB2 TYR A 28 44.013 24.524 23.318 1.00 0.00 H new ATOM 0 HB3 TYR A 28 42.565 23.543 23.197 1.00 0.00 H new ATOM 0 HD1 TYR A 28 40.279 24.926 23.237 1.00 0.00 H new ATOM 0 HD2 TYR A 28 44.118 26.498 22.063 1.00 0.00 H new ATOM 0 HE1 TYR A 28 39.144 26.697 21.914 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.984 28.243 20.700 1.00 0.00 H new ATOM 0 HH TYR A 28 40.843 29.383 20.533 1.00 0.00 H new ATOM 476 N THR A 29 44.549 23.220 26.054 1.00 0.00 N ATOM 477 CA THR A 29 45.098 22.056 26.770 1.00 0.00 C ATOM 478 C THR A 29 44.518 21.923 28.179 1.00 0.00 C ATOM 479 O THR A 29 44.082 20.835 28.553 1.00 0.00 O ATOM 480 CB THR A 29 46.633 22.110 26.846 1.00 0.00 C ATOM 481 OG1 THR A 29 47.084 23.347 27.360 1.00 0.00 O ATOM 482 CG2 THR A 29 47.277 21.924 25.475 1.00 0.00 C ATOM 0 H THR A 29 45.241 23.941 25.849 1.00 0.00 H new ATOM 0 HA THR A 29 44.805 21.178 26.194 1.00 0.00 H new ATOM 0 HB THR A 29 46.925 21.295 27.509 1.00 0.00 H new ATOM 0 HG1 THR A 29 48.063 23.348 27.397 1.00 0.00 H new ATOM 0 HG21 THR A 29 48.362 21.969 25.573 1.00 0.00 H new ATOM 0 HG22 THR A 29 46.989 20.955 25.066 1.00 0.00 H new ATOM 0 HG23 THR A 29 46.941 22.715 24.805 1.00 0.00 H new ATOM 490 N LYS A 30 44.429 23.020 28.944 1.00 0.00 N ATOM 491 CA LYS A 30 43.850 23.021 30.295 1.00 0.00 C ATOM 492 C LYS A 30 42.356 22.697 30.268 1.00 0.00 C ATOM 493 O LYS A 30 41.904 21.868 31.053 1.00 0.00 O ATOM 494 CB LYS A 30 44.144 24.374 30.966 1.00 0.00 C ATOM 495 CG LYS A 30 43.707 24.460 32.435 1.00 0.00 C ATOM 496 CD LYS A 30 44.405 23.434 33.334 1.00 0.00 C ATOM 497 CE LYS A 30 44.026 23.654 34.800 1.00 0.00 C ATOM 498 NZ LYS A 30 44.886 22.837 35.681 1.00 0.00 N1+ ATOM 0 H LYS A 30 44.758 23.937 28.641 1.00 0.00 H new ATOM 0 HA LYS A 30 44.314 22.232 30.887 1.00 0.00 H new ATOM 0 HB2 LYS A 30 45.214 24.571 30.906 1.00 0.00 H new ATOM 0 HB3 LYS A 30 43.643 25.162 30.403 1.00 0.00 H new ATOM 0 HG2 LYS A 30 43.913 25.462 32.811 1.00 0.00 H new ATOM 0 HG3 LYS A 30 42.629 24.313 32.496 1.00 0.00 H new ATOM 0 HD2 LYS A 30 44.126 22.426 33.028 1.00 0.00 H new ATOM 0 HD3 LYS A 30 45.486 23.515 33.216 1.00 0.00 H new ATOM 0 HE2 LYS A 30 44.130 24.709 35.055 1.00 0.00 H new ATOM 0 HE3 LYS A 30 42.980 23.390 34.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 44.618 22.996 36.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 44.766 21.831 35.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 45.881 23.108 35.544 1.00 0.00 H new ATOM 512 N LEU A 31 41.613 23.278 29.322 1.00 0.00 N ATOM 513 CA LEU A 31 40.214 22.927 29.059 1.00 0.00 C ATOM 514 C LEU A 31 40.066 21.449 28.640 1.00 0.00 C ATOM 515 O LEU A 31 39.205 20.757 29.170 1.00 0.00 O ATOM 516 CB LEU A 31 39.638 23.882 27.994 1.00 0.00 C ATOM 517 CG LEU A 31 39.237 25.277 28.525 1.00 0.00 C ATOM 518 CD1 LEU A 31 39.058 26.246 27.355 1.00 0.00 C ATOM 519 CD2 LEU A 31 37.905 25.206 29.278 1.00 0.00 C ATOM 0 H LEU A 31 41.969 24.013 28.711 1.00 0.00 H new ATOM 0 HA LEU A 31 39.643 23.043 29.980 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.376 24.008 27.202 1.00 0.00 H new ATOM 0 HB3 LEU A 31 38.763 23.415 27.542 1.00 0.00 H new ATOM 0 HG LEU A 31 40.026 25.619 29.194 1.00 0.00 H new ATOM 0 HD11 LEU A 31 38.775 27.228 27.735 1.00 0.00 H new ATOM 0 HD12 LEU A 31 39.994 26.327 26.803 1.00 0.00 H new ATOM 0 HD13 LEU A 31 38.277 25.875 26.692 1.00 0.00 H new ATOM 0 HD21 LEU A 31 37.640 26.198 29.644 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.126 24.847 28.606 1.00 0.00 H new ATOM 0 HD23 LEU A 31 38.000 24.522 30.121 1.00 0.00 H new ATOM 531 N CYS A 32 40.920 20.927 27.757 1.00 0.00 N ATOM 532 CA CYS A 32 40.889 19.528 27.304 1.00 0.00 C ATOM 533 C CYS A 32 41.229 18.512 28.421 1.00 0.00 C ATOM 534 O CYS A 32 40.862 17.343 28.328 1.00 0.00 O ATOM 535 CB CYS A 32 41.835 19.407 26.099 1.00 0.00 C ATOM 536 SG CYS A 32 41.553 17.874 25.173 1.00 0.00 S ATOM 0 H CYS A 32 41.667 21.472 27.327 1.00 0.00 H new ATOM 0 HA CYS A 32 39.871 19.271 27.012 1.00 0.00 H new ATOM 0 HB2 CYS A 32 41.693 20.262 25.438 1.00 0.00 H new ATOM 0 HB3 CYS A 32 42.869 19.439 26.444 1.00 0.00 H new ATOM 0 HG CYS A 32 41.149 16.944 25.986 1.00 0.00 H new ATOM 542 N ASN A 33 41.893 18.949 29.498 1.00 0.00 N ATOM 543 CA ASN A 33 42.178 18.126 30.680 1.00 0.00 C ATOM 544 C ASN A 33 41.039 18.102 31.729 1.00 0.00 C ATOM 545 O ASN A 33 41.104 17.327 32.684 1.00 0.00 O ATOM 546 CB ASN A 33 43.517 18.591 31.282 1.00 0.00 C ATOM 547 CG ASN A 33 44.190 17.491 32.085 1.00 0.00 C ATOM 548 OD1 ASN A 33 44.313 16.355 31.650 1.00 0.00 O ATOM 549 ND2 ASN A 33 44.701 17.786 33.251 1.00 0.00 N ATOM 0 H ASN A 33 42.253 19.900 29.574 1.00 0.00 H new ATOM 0 HA ASN A 33 42.252 17.087 30.357 1.00 0.00 H new ATOM 0 HB2 ASN A 33 44.182 18.915 30.481 1.00 0.00 H new ATOM 0 HB3 ASN A 33 43.346 19.456 31.923 1.00 0.00 H new ATOM 0 HD21 ASN A 33 45.195 17.072 33.787 1.00 0.00 H new ATOM 0 HD22 ASN A 33 44.606 18.730 33.626 1.00 0.00 H new ATOM 556 N ILE A 34 39.995 18.929 31.568 1.00 0.00 N ATOM 557 CA ILE A 34 38.803 18.988 32.440 1.00 0.00 C ATOM 558 C ILE A 34 37.480 18.760 31.675 1.00 0.00 C ATOM 559 O ILE A 34 36.423 18.610 32.283 1.00 0.00 O ATOM 560 CB ILE A 34 38.793 20.326 33.219 1.00 0.00 C ATOM 561 CG1 ILE A 34 38.530 21.524 32.285 1.00 0.00 C ATOM 562 CG2 ILE A 34 40.098 20.526 34.013 1.00 0.00 C ATOM 563 CD1 ILE A 34 38.626 22.893 32.954 1.00 0.00 C ATOM 0 H ILE A 34 39.952 19.600 30.801 1.00 0.00 H new ATOM 0 HA ILE A 34 38.872 18.163 33.149 1.00 0.00 H new ATOM 0 HB ILE A 34 37.971 20.275 33.933 1.00 0.00 H new ATOM 0 HG12 ILE A 34 39.243 21.487 31.461 1.00 0.00 H new ATOM 0 HG13 ILE A 34 37.536 21.417 31.851 1.00 0.00 H new ATOM 0 HG21 ILE A 34 40.057 21.475 34.548 1.00 0.00 H new ATOM 0 HG22 ILE A 34 40.218 19.712 34.728 1.00 0.00 H new ATOM 0 HG23 ILE A 34 40.944 20.533 33.326 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.426 23.672 32.219 1.00 0.00 H new ATOM 0 HD12 ILE A 34 37.894 22.957 33.759 1.00 0.00 H new ATOM 0 HD13 ILE A 34 39.627 23.029 33.363 1.00 0.00 H new ATOM 575 N SER A 35 37.520 18.749 30.341 1.00 0.00 N ATOM 576 CA SER A 35 36.348 18.745 29.449 1.00 0.00 C ATOM 577 C SER A 35 35.554 17.436 29.376 1.00 0.00 C ATOM 578 O SER A 35 34.359 17.491 29.094 1.00 0.00 O ATOM 579 CB SER A 35 36.811 19.057 28.020 1.00 0.00 C ATOM 580 OG SER A 35 37.728 18.052 27.623 1.00 0.00 O ATOM 0 H SER A 35 38.402 18.742 29.828 1.00 0.00 H new ATOM 0 HA SER A 35 35.680 19.492 29.879 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.958 19.083 27.341 1.00 0.00 H new ATOM 0 HB3 SER A 35 37.282 20.039 27.979 1.00 0.00 H new ATOM 0 HG SER A 35 37.645 17.896 26.659 1.00 0.00 H new ATOM 586 N LYS A 36 36.214 16.273 29.520 1.00 0.00 N ATOM 587 CA LYS A 36 35.719 14.940 29.089 1.00 0.00 C ATOM 588 C LYS A 36 35.400 14.812 27.582 1.00 0.00 C ATOM 589 O LYS A 36 34.763 13.840 27.171 1.00 0.00 O ATOM 590 CB LYS A 36 34.563 14.451 29.992 1.00 0.00 C ATOM 591 CG LYS A 36 35.089 13.935 31.343 1.00 0.00 C ATOM 592 CD LYS A 36 33.953 13.504 32.284 1.00 0.00 C ATOM 593 CE LYS A 36 34.487 13.187 33.690 1.00 0.00 C ATOM 594 NZ LYS A 36 35.088 11.833 33.801 1.00 0.00 N1+ ATOM 0 H LYS A 36 37.137 16.226 29.953 1.00 0.00 H new ATOM 0 HA LYS A 36 36.562 14.263 29.226 1.00 0.00 H new ATOM 0 HB2 LYS A 36 33.860 15.267 30.161 1.00 0.00 H new ATOM 0 HB3 LYS A 36 34.014 13.657 29.486 1.00 0.00 H new ATOM 0 HG2 LYS A 36 35.757 13.090 31.172 1.00 0.00 H new ATOM 0 HG3 LYS A 36 35.679 14.716 31.823 1.00 0.00 H new ATOM 0 HD2 LYS A 36 33.207 14.297 32.345 1.00 0.00 H new ATOM 0 HD3 LYS A 36 33.452 12.626 31.876 1.00 0.00 H new ATOM 0 HE2 LYS A 36 35.234 13.932 33.963 1.00 0.00 H new ATOM 0 HE3 LYS A 36 33.672 13.275 34.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 35.428 11.683 34.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 34.372 11.115 33.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 35.886 11.752 33.139 1.00 0.00 H new ATOM 608 N LEU A 37 35.867 15.742 26.746 1.00 0.00 N ATOM 609 CA LEU A 37 35.715 15.729 25.295 1.00 0.00 C ATOM 610 C LEU A 37 36.957 16.277 24.569 1.00 0.00 C ATOM 611 O LEU A 37 37.729 17.048 25.138 1.00 0.00 O ATOM 612 CB LEU A 37 34.400 16.437 24.929 1.00 0.00 C ATOM 613 CG LEU A 37 34.201 17.904 25.365 1.00 0.00 C ATOM 614 CD1 LEU A 37 35.000 18.928 24.563 1.00 0.00 C ATOM 615 CD2 LEU A 37 32.745 18.316 25.183 1.00 0.00 C ATOM 0 H LEU A 37 36.382 16.557 27.078 1.00 0.00 H new ATOM 0 HA LEU A 37 35.646 14.701 24.940 1.00 0.00 H new ATOM 0 HB2 LEU A 37 34.294 16.397 23.845 1.00 0.00 H new ATOM 0 HB3 LEU A 37 33.582 15.853 25.351 1.00 0.00 H new ATOM 0 HG LEU A 37 34.539 17.915 26.401 1.00 0.00 H new ATOM 0 HD11 LEU A 37 34.794 19.929 24.943 1.00 0.00 H new ATOM 0 HD12 LEU A 37 36.065 18.715 24.659 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.712 18.872 23.513 1.00 0.00 H new ATOM 0 HD21 LEU A 37 32.619 19.353 25.494 1.00 0.00 H new ATOM 0 HD22 LEU A 37 32.467 18.216 24.134 1.00 0.00 H new ATOM 0 HD23 LEU A 37 32.107 17.674 25.791 1.00 0.00 H new ATOM 627 N SER A 38 37.147 15.871 23.312 1.00 0.00 N ATOM 628 CA SER A 38 38.373 16.136 22.545 1.00 0.00 C ATOM 629 C SER A 38 38.660 17.624 22.314 1.00 0.00 C ATOM 630 O SER A 38 37.735 18.443 22.248 1.00 0.00 O ATOM 631 CB SER A 38 38.304 15.423 21.190 1.00 0.00 C ATOM 632 OG SER A 38 39.589 15.459 20.597 1.00 0.00 O ATOM 0 H SER A 38 36.448 15.343 22.789 1.00 0.00 H new ATOM 0 HA SER A 38 39.192 15.751 23.153 1.00 0.00 H new ATOM 0 HB2 SER A 38 37.976 14.392 21.321 1.00 0.00 H new ATOM 0 HB3 SER A 38 37.574 15.910 20.543 1.00 0.00 H new ATOM 0 HG SER A 38 39.562 15.005 19.729 1.00 0.00 H new ATOM 638 N MET A 39 39.933 17.976 22.081 1.00 0.00 N ATOM 639 CA MET A 39 40.316 19.341 21.713 1.00 0.00 C ATOM 640 C MET A 39 39.561 19.819 20.460 1.00 0.00 C ATOM 641 O MET A 39 39.016 20.923 20.459 1.00 0.00 O ATOM 642 CB MET A 39 41.835 19.504 21.566 1.00 0.00 C ATOM 643 CG MET A 39 42.145 20.960 21.176 1.00 0.00 C ATOM 644 SD MET A 39 43.803 21.568 21.568 1.00 0.00 S ATOM 645 CE MET A 39 44.788 20.483 20.511 1.00 0.00 C ATOM 0 H MET A 39 40.717 17.327 22.142 1.00 0.00 H new ATOM 0 HA MET A 39 40.018 19.987 22.539 1.00 0.00 H new ATOM 0 HB2 MET A 39 42.334 19.250 22.501 1.00 0.00 H new ATOM 0 HB3 MET A 39 42.216 18.821 20.806 1.00 0.00 H new ATOM 0 HG2 MET A 39 41.988 21.066 20.103 1.00 0.00 H new ATOM 0 HG3 MET A 39 41.419 21.607 21.669 1.00 0.00 H new ATOM 0 HE1 MET A 39 45.845 20.722 20.628 1.00 0.00 H new ATOM 0 HE2 MET A 39 44.617 19.445 20.795 1.00 0.00 H new ATOM 0 HE3 MET A 39 44.497 20.627 19.470 1.00 0.00 H new ATOM 655 N SER A 40 39.435 18.966 19.439 1.00 0.00 N ATOM 656 CA SER A 40 38.647 19.236 18.224 1.00 0.00 C ATOM 657 C SER A 40 37.181 19.590 18.502 1.00 0.00 C ATOM 658 O SER A 40 36.560 20.285 17.705 1.00 0.00 O ATOM 659 CB SER A 40 38.655 18.009 17.304 1.00 0.00 C ATOM 660 OG SER A 40 39.970 17.533 17.104 1.00 0.00 O ATOM 0 H SER A 40 39.885 18.050 19.430 1.00 0.00 H new ATOM 0 HA SER A 40 39.124 20.099 17.758 1.00 0.00 H new ATOM 0 HB2 SER A 40 38.041 17.220 17.739 1.00 0.00 H new ATOM 0 HB3 SER A 40 38.208 18.267 16.344 1.00 0.00 H new ATOM 0 HG SER A 40 39.948 16.750 16.516 1.00 0.00 H new ATOM 666 N THR A 41 36.620 19.129 19.624 1.00 0.00 N ATOM 667 CA THR A 41 35.232 19.394 20.029 1.00 0.00 C ATOM 668 C THR A 41 35.124 20.695 20.836 1.00 0.00 C ATOM 669 O THR A 41 34.268 21.531 20.550 1.00 0.00 O ATOM 670 CB THR A 41 34.659 18.176 20.782 1.00 0.00 C ATOM 671 OG1 THR A 41 34.789 17.040 19.949 1.00 0.00 O ATOM 672 CG2 THR A 41 33.172 18.321 21.098 1.00 0.00 C ATOM 0 H THR A 41 37.127 18.548 20.292 1.00 0.00 H new ATOM 0 HA THR A 41 34.625 19.542 19.136 1.00 0.00 H new ATOM 0 HB THR A 41 35.209 18.088 21.719 1.00 0.00 H new ATOM 0 HG1 THR A 41 34.431 16.253 20.411 1.00 0.00 H new ATOM 0 HG21 THR A 41 32.825 17.434 21.628 1.00 0.00 H new ATOM 0 HG22 THR A 41 33.017 19.201 21.722 1.00 0.00 H new ATOM 0 HG23 THR A 41 32.612 18.431 20.170 1.00 0.00 H new ATOM 680 N VAL A 42 36.024 20.936 21.800 1.00 0.00 N ATOM 681 CA VAL A 42 36.013 22.172 22.616 1.00 0.00 C ATOM 682 C VAL A 42 36.426 23.428 21.847 1.00 0.00 C ATOM 683 O VAL A 42 35.908 24.511 22.128 1.00 0.00 O ATOM 684 CB VAL A 42 36.848 22.003 23.891 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.346 21.902 23.644 1.00 0.00 C ATOM 686 CG2 VAL A 42 36.629 23.159 24.865 1.00 0.00 C ATOM 0 H VAL A 42 36.776 20.290 22.039 1.00 0.00 H new ATOM 0 HA VAL A 42 34.972 22.329 22.898 1.00 0.00 H new ATOM 0 HB VAL A 42 36.499 21.060 24.311 1.00 0.00 H new ATOM 0 HG11 VAL A 42 38.865 21.784 24.596 1.00 0.00 H new ATOM 0 HG12 VAL A 42 38.553 21.040 23.009 1.00 0.00 H new ATOM 0 HG13 VAL A 42 38.695 22.809 23.150 1.00 0.00 H new ATOM 0 HG21 VAL A 42 37.237 23.004 25.756 1.00 0.00 H new ATOM 0 HG22 VAL A 42 36.916 24.096 24.388 1.00 0.00 H new ATOM 0 HG23 VAL A 42 35.577 23.203 25.147 1.00 0.00 H new ATOM 696 N ARG A 43 37.291 23.281 20.832 1.00 0.00 N ATOM 697 CA ARG A 43 37.626 24.347 19.863 1.00 0.00 C ATOM 698 C ARG A 43 36.353 24.996 19.305 1.00 0.00 C ATOM 699 O ARG A 43 36.229 26.218 19.346 1.00 0.00 O ATOM 700 CB ARG A 43 38.498 23.775 18.723 1.00 0.00 C ATOM 701 CG ARG A 43 39.972 23.547 19.110 1.00 0.00 C ATOM 702 CD ARG A 43 40.827 24.812 18.965 1.00 0.00 C ATOM 703 NE ARG A 43 42.199 24.612 19.480 1.00 0.00 N ATOM 704 CZ ARG A 43 43.300 24.409 18.776 1.00 0.00 C ATOM 705 NH1 ARG A 43 43.250 24.365 17.478 1.00 0.00 N ATOM 706 NH2 ARG A 43 44.443 24.271 19.374 1.00 0.00 N ATOM 0 H ARG A 43 37.787 22.407 20.655 1.00 0.00 H new ATOM 0 HA ARG A 43 38.195 25.120 20.380 1.00 0.00 H new ATOM 0 HB2 ARG A 43 38.070 22.828 18.393 1.00 0.00 H new ATOM 0 HB3 ARG A 43 38.458 24.456 17.873 1.00 0.00 H new ATOM 0 HG2 ARG A 43 40.022 23.196 20.141 1.00 0.00 H new ATOM 0 HG3 ARG A 43 40.389 22.758 18.484 1.00 0.00 H new ATOM 0 HD2 ARG A 43 40.872 25.102 17.915 1.00 0.00 H new ATOM 0 HD3 ARG A 43 40.354 25.634 19.502 1.00 0.00 H new ATOM 0 HE ARG A 43 42.309 24.633 20.494 1.00 0.00 H new ATOM 0 HH11 ARG A 43 42.359 24.487 16.998 1.00 0.00 H new ATOM 0 HH12 ARG A 43 44.102 24.208 16.940 1.00 0.00 H new ATOM 0 HH21 ARG A 43 44.495 24.319 20.392 1.00 0.00 H new ATOM 0 HH22 ARG A 43 45.289 24.115 18.827 1.00 0.00 H new ATOM 720 N ARG A 44 35.361 24.181 18.922 1.00 0.00 N ATOM 721 CA ARG A 44 34.062 24.636 18.394 1.00 0.00 C ATOM 722 C ARG A 44 33.278 25.476 19.405 1.00 0.00 C ATOM 723 O ARG A 44 32.736 26.515 19.042 1.00 0.00 O ATOM 724 CB ARG A 44 33.208 23.441 17.922 1.00 0.00 C ATOM 725 CG ARG A 44 33.996 22.408 17.096 1.00 0.00 C ATOM 726 CD ARG A 44 33.091 21.412 16.362 1.00 0.00 C ATOM 727 NE ARG A 44 32.358 22.086 15.280 1.00 0.00 N ATOM 728 CZ ARG A 44 31.592 21.527 14.364 1.00 0.00 C ATOM 729 NH1 ARG A 44 31.417 20.236 14.354 1.00 0.00 N ATOM 730 NH2 ARG A 44 31.024 22.253 13.454 1.00 0.00 N ATOM 0 H ARG A 44 35.438 23.165 18.971 1.00 0.00 H new ATOM 0 HA ARG A 44 34.283 25.276 17.540 1.00 0.00 H new ATOM 0 HB2 ARG A 44 32.778 22.946 18.793 1.00 0.00 H new ATOM 0 HB3 ARG A 44 32.376 23.813 17.324 1.00 0.00 H new ATOM 0 HG2 ARG A 44 34.617 22.930 16.368 1.00 0.00 H new ATOM 0 HG3 ARG A 44 34.669 21.861 17.756 1.00 0.00 H new ATOM 0 HD2 ARG A 44 33.691 20.600 15.952 1.00 0.00 H new ATOM 0 HD3 ARG A 44 32.387 20.965 17.064 1.00 0.00 H new ATOM 0 HE ARG A 44 32.453 23.100 15.233 1.00 0.00 H new ATOM 0 HH11 ARG A 44 31.873 19.654 15.056 1.00 0.00 H new ATOM 0 HH12 ARG A 44 30.824 19.807 13.644 1.00 0.00 H new ATOM 0 HH21 ARG A 44 31.168 23.263 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 44 30.432 21.815 12.748 1.00 0.00 H new ATOM 744 N SER A 45 33.250 25.055 20.671 1.00 0.00 N ATOM 745 CA SER A 45 32.553 25.758 21.760 1.00 0.00 C ATOM 746 C SER A 45 33.160 27.141 22.035 1.00 0.00 C ATOM 747 O SER A 45 32.465 28.144 21.880 1.00 0.00 O ATOM 748 CB SER A 45 32.532 24.869 23.010 1.00 0.00 C ATOM 749 OG SER A 45 32.017 25.558 24.125 1.00 0.00 O ATOM 0 H SER A 45 33.718 24.202 20.978 1.00 0.00 H new ATOM 0 HA SER A 45 31.524 25.946 21.454 1.00 0.00 H new ATOM 0 HB2 SER A 45 31.927 23.983 22.817 1.00 0.00 H new ATOM 0 HB3 SER A 45 33.542 24.524 23.229 1.00 0.00 H new ATOM 0 HG SER A 45 31.403 26.259 23.821 1.00 0.00 H new ATOM 755 N ILE A 46 34.469 27.223 22.312 1.00 0.00 N ATOM 756 CA ILE A 46 35.193 28.510 22.411 1.00 0.00 C ATOM 757 C ILE A 46 34.957 29.397 21.177 1.00 0.00 C ATOM 758 O ILE A 46 34.691 30.589 21.329 1.00 0.00 O ATOM 759 CB ILE A 46 36.703 28.246 22.639 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.991 27.876 24.113 1.00 0.00 C ATOM 761 CG2 ILE A 46 37.625 29.394 22.181 1.00 0.00 C ATOM 762 CD1 ILE A 46 37.046 29.037 25.107 1.00 0.00 C ATOM 0 H ILE A 46 35.058 26.406 22.474 1.00 0.00 H new ATOM 0 HA ILE A 46 34.800 29.059 23.267 1.00 0.00 H new ATOM 0 HB ILE A 46 36.942 27.397 21.999 1.00 0.00 H new ATOM 0 HG12 ILE A 46 36.224 27.177 24.446 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.943 27.347 24.153 1.00 0.00 H new ATOM 0 HG21 ILE A 46 38.663 29.127 22.377 1.00 0.00 H new ATOM 0 HG22 ILE A 46 37.490 29.565 21.113 1.00 0.00 H new ATOM 0 HG23 ILE A 46 37.375 30.302 22.729 1.00 0.00 H new ATOM 0 HD11 ILE A 46 37.254 28.652 26.105 1.00 0.00 H new ATOM 0 HD12 ILE A 46 37.834 29.730 24.814 1.00 0.00 H new ATOM 0 HD13 ILE A 46 36.088 29.558 25.112 1.00 0.00 H new ATOM 774 N LYS A 47 34.997 28.825 19.965 1.00 0.00 N ATOM 775 CA LYS A 47 34.864 29.562 18.701 1.00 0.00 C ATOM 776 C LYS A 47 33.480 30.194 18.557 1.00 0.00 C ATOM 777 O LYS A 47 33.377 31.379 18.254 1.00 0.00 O ATOM 778 CB LYS A 47 35.191 28.609 17.542 1.00 0.00 C ATOM 779 CG LYS A 47 35.092 29.294 16.177 1.00 0.00 C ATOM 780 CD LYS A 47 35.504 28.325 15.065 1.00 0.00 C ATOM 781 CE LYS A 47 35.552 29.073 13.735 1.00 0.00 C ATOM 782 NZ LYS A 47 34.208 29.340 13.168 1.00 0.00 N1+ ATOM 0 H LYS A 47 35.125 27.822 19.834 1.00 0.00 H new ATOM 0 HA LYS A 47 35.570 30.393 18.688 1.00 0.00 H new ATOM 0 HB2 LYS A 47 36.198 28.213 17.674 1.00 0.00 H new ATOM 0 HB3 LYS A 47 34.508 27.760 17.570 1.00 0.00 H new ATOM 0 HG2 LYS A 47 34.072 29.639 16.009 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.734 30.175 16.157 1.00 0.00 H new ATOM 0 HD2 LYS A 47 36.479 27.892 15.287 1.00 0.00 H new ATOM 0 HD3 LYS A 47 34.795 27.499 15.005 1.00 0.00 H new ATOM 0 HE2 LYS A 47 36.075 30.019 13.876 1.00 0.00 H new ATOM 0 HE3 LYS A 47 36.133 28.492 13.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 34.306 29.849 12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 33.715 28.439 13.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 33.659 29.919 13.835 1.00 0.00 H new ATOM 796 N LYS A 48 32.424 29.429 18.840 1.00 0.00 N ATOM 797 CA LYS A 48 31.041 29.922 18.913 1.00 0.00 C ATOM 798 C LYS A 48 30.884 31.028 19.955 1.00 0.00 C ATOM 799 O LYS A 48 30.205 32.021 19.705 1.00 0.00 O ATOM 800 CB LYS A 48 30.125 28.737 19.244 1.00 0.00 C ATOM 801 CG LYS A 48 29.842 27.876 18.003 1.00 0.00 C ATOM 802 CD LYS A 48 28.862 26.741 18.324 1.00 0.00 C ATOM 803 CE LYS A 48 27.423 27.263 18.408 1.00 0.00 C ATOM 804 NZ LYS A 48 26.513 26.210 18.897 1.00 0.00 N1+ ATOM 0 H LYS A 48 32.504 28.430 19.029 1.00 0.00 H new ATOM 0 HA LYS A 48 30.768 30.357 17.952 1.00 0.00 H new ATOM 0 HB2 LYS A 48 30.589 28.123 20.016 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.185 29.107 19.653 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.431 28.501 17.210 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.776 27.458 17.627 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.929 25.971 17.556 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.139 26.274 19.269 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.382 28.124 19.075 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.097 27.605 17.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.667 26.174 18.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.999 25.291 18.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.230 26.422 19.875 1.00 0.00 H new ATOM 818 N PHE A 49 31.539 30.910 21.108 1.00 0.00 N ATOM 819 CA PHE A 49 31.443 31.912 22.171 1.00 0.00 C ATOM 820 C PHE A 49 32.161 33.242 21.880 1.00 0.00 C ATOM 821 O PHE A 49 31.854 34.230 22.546 1.00 0.00 O ATOM 822 CB PHE A 49 31.884 31.294 23.495 1.00 0.00 C ATOM 823 CG PHE A 49 31.115 30.071 23.974 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.824 29.757 23.497 1.00 0.00 C ATOM 825 CD2 PHE A 49 31.716 29.236 24.932 1.00 0.00 C ATOM 826 CE1 PHE A 49 29.140 28.624 23.968 1.00 0.00 C ATOM 827 CE2 PHE A 49 31.027 28.106 25.406 1.00 0.00 C ATOM 828 CZ PHE A 49 29.740 27.795 24.927 1.00 0.00 C ATOM 0 H PHE A 49 32.148 30.123 21.332 1.00 0.00 H new ATOM 0 HA PHE A 49 30.393 32.200 22.232 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.936 31.021 23.408 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.816 32.061 24.267 1.00 0.00 H new ATOM 0 HD1 PHE A 49 29.357 30.395 22.762 1.00 0.00 H new ATOM 0 HD2 PHE A 49 32.705 29.462 25.303 1.00 0.00 H new ATOM 0 HE1 PHE A 49 28.154 28.392 23.592 1.00 0.00 H new ATOM 0 HE2 PHE A 49 31.490 27.470 26.146 1.00 0.00 H new ATOM 0 HZ PHE A 49 29.218 26.924 25.296 1.00 0.00 H new ATOM 838 N LEU A 50 33.013 33.312 20.847 1.00 0.00 N ATOM 839 CA LEU A 50 33.464 34.583 20.256 1.00 0.00 C ATOM 840 C LEU A 50 32.309 35.367 19.615 1.00 0.00 C ATOM 841 O LEU A 50 32.320 36.601 19.598 1.00 0.00 O ATOM 842 CB LEU A 50 34.512 34.325 19.167 1.00 0.00 C ATOM 843 CG LEU A 50 35.756 33.543 19.622 1.00 0.00 C ATOM 844 CD1 LEU A 50 36.651 33.336 18.408 1.00 0.00 C ATOM 845 CD2 LEU A 50 36.554 34.301 20.681 1.00 0.00 C ATOM 0 H LEU A 50 33.410 32.488 20.396 1.00 0.00 H new ATOM 0 HA LEU A 50 33.885 35.169 21.073 1.00 0.00 H new ATOM 0 HB2 LEU A 50 34.038 33.778 18.352 1.00 0.00 H new ATOM 0 HB3 LEU A 50 34.834 35.284 18.762 1.00 0.00 H new ATOM 0 HG LEU A 50 35.428 32.599 20.057 1.00 0.00 H new ATOM 0 HD11 LEU A 50 37.542 32.783 18.703 1.00 0.00 H new ATOM 0 HD12 LEU A 50 36.109 32.772 17.648 1.00 0.00 H new ATOM 0 HD13 LEU A 50 36.943 34.304 18.002 1.00 0.00 H new ATOM 0 HD21 LEU A 50 37.423 33.712 20.973 1.00 0.00 H new ATOM 0 HD22 LEU A 50 36.884 35.257 20.273 1.00 0.00 H new ATOM 0 HD23 LEU A 50 35.925 34.477 21.554 1.00 0.00 H new ATOM 857 N GLU A 51 31.329 34.656 19.052 1.00 0.00 N ATOM 858 CA GLU A 51 30.124 35.237 18.454 1.00 0.00 C ATOM 859 C GLU A 51 29.053 35.526 19.519 1.00 0.00 C ATOM 860 O GLU A 51 28.368 36.541 19.436 1.00 0.00 O ATOM 861 CB GLU A 51 29.575 34.342 17.325 1.00 0.00 C ATOM 862 CG GLU A 51 30.606 34.124 16.199 1.00 0.00 C ATOM 863 CD GLU A 51 30.138 33.180 15.080 1.00 0.00 C ATOM 864 OE1 GLU A 51 29.085 32.515 15.224 1.00 0.00 O ATOM 865 OE2 GLU A 51 30.794 33.143 14.009 1.00 0.00 O ATOM 0 H GLU A 51 31.352 33.638 18.998 1.00 0.00 H new ATOM 0 HA GLU A 51 30.403 36.192 18.008 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.282 33.377 17.739 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.676 34.796 16.909 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.856 35.090 15.761 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.522 33.725 16.635 1.00 0.00 H new ATOM 872 N LEU A 52 28.990 34.703 20.559 1.00 0.00 N ATOM 873 CA LEU A 52 28.097 34.949 21.694 1.00 0.00 C ATOM 874 C LEU A 52 28.540 36.223 22.448 1.00 0.00 C ATOM 875 O LEU A 52 27.723 36.995 22.949 1.00 0.00 O ATOM 876 CB LEU A 52 28.093 33.751 22.643 1.00 0.00 C ATOM 877 CG LEU A 52 27.282 32.541 22.172 1.00 0.00 C ATOM 878 CD1 LEU A 52 27.187 31.500 23.276 1.00 0.00 C ATOM 879 CD2 LEU A 52 25.897 32.973 21.715 1.00 0.00 C ATOM 0 H LEU A 52 29.549 33.854 20.643 1.00 0.00 H new ATOM 0 HA LEU A 52 27.085 35.093 21.316 1.00 0.00 H new ATOM 0 HB2 LEU A 52 29.123 33.435 22.806 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.703 34.075 23.608 1.00 0.00 H new ATOM 0 HG LEU A 52 27.795 32.090 21.323 1.00 0.00 H new ATOM 0 HD11 LEU A 52 26.607 30.647 22.923 1.00 0.00 H new ATOM 0 HD12 LEU A 52 28.188 31.169 23.551 1.00 0.00 H new ATOM 0 HD13 LEU A 52 26.697 31.936 24.147 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.334 32.100 21.384 1.00 0.00 H new ATOM 0 HD22 LEU A 52 25.373 33.450 22.543 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.990 33.679 20.890 1.00 0.00 H new ATOM 891 N GLN A 53 29.859 36.403 22.504 1.00 0.00 N ATOM 892 CA GLN A 53 30.594 37.505 23.202 1.00 0.00 C ATOM 893 C GLN A 53 31.033 37.132 24.628 1.00 0.00 C ATOM 894 O GLN A 53 31.636 37.930 25.346 1.00 0.00 O ATOM 895 CB GLN A 53 29.913 38.890 23.144 1.00 0.00 C ATOM 896 CG GLN A 53 29.863 39.494 21.750 1.00 0.00 C ATOM 897 CD GLN A 53 29.126 40.818 21.714 1.00 0.00 C ATOM 898 OE1 GLN A 53 28.275 41.092 22.560 1.00 0.00 O ATOM 899 NE2 GLN A 53 29.450 41.649 20.729 1.00 0.00 N ATOM 0 H GLN A 53 30.498 35.756 22.042 1.00 0.00 H new ATOM 0 HA GLN A 53 31.501 37.620 22.608 1.00 0.00 H new ATOM 0 HB2 GLN A 53 28.896 38.800 23.527 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.444 39.573 23.807 1.00 0.00 H new ATOM 0 HG2 GLN A 53 30.880 39.638 21.384 1.00 0.00 H new ATOM 0 HG3 GLN A 53 29.376 38.793 21.072 1.00 0.00 H new ATOM 0 HE21 GLN A 53 30.162 41.381 20.049 1.00 0.00 H new ATOM 0 HE22 GLN A 53 28.987 42.555 20.653 1.00 0.00 H new ATOM 908 N TYR A 54 30.711 35.903 25.004 1.00 0.00 N ATOM 909 CA TYR A 54 31.115 35.311 26.285 1.00 0.00 C ATOM 910 C TYR A 54 32.623 35.005 26.355 1.00 0.00 C ATOM 911 O TYR A 54 33.194 35.001 27.443 1.00 0.00 O ATOM 912 CB TYR A 54 30.300 34.032 26.545 1.00 0.00 C ATOM 913 CG TYR A 54 28.786 34.184 26.548 1.00 0.00 C ATOM 914 CD1 TYR A 54 28.177 35.338 27.082 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.977 33.153 26.027 1.00 0.00 C ATOM 916 CE1 TYR A 54 26.779 35.475 27.066 1.00 0.00 C ATOM 917 CE2 TYR A 54 26.574 33.284 26.015 1.00 0.00 C ATOM 918 CZ TYR A 54 25.971 34.457 26.517 1.00 0.00 C ATOM 919 OH TYR A 54 24.618 34.600 26.495 1.00 0.00 O ATOM 0 H TYR A 54 30.154 35.275 24.425 1.00 0.00 H new ATOM 0 HA TYR A 54 30.910 36.049 27.060 1.00 0.00 H new ATOM 0 HB2 TYR A 54 30.568 33.296 25.787 1.00 0.00 H new ATOM 0 HB3 TYR A 54 30.604 33.623 27.508 1.00 0.00 H new ATOM 0 HD1 TYR A 54 28.789 36.121 27.506 1.00 0.00 H new ATOM 0 HD2 TYR A 54 28.436 32.257 25.635 1.00 0.00 H new ATOM 0 HE1 TYR A 54 26.321 36.363 27.476 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.960 32.487 25.622 1.00 0.00 H new ATOM 0 HH TYR A 54 24.212 33.809 26.082 1.00 0.00 H new ATOM 929 N VAL A 55 33.232 34.840 25.178 1.00 0.00 N ATOM 930 CA VAL A 55 34.658 34.548 25.042 1.00 0.00 C ATOM 931 C VAL A 55 35.363 35.444 24.009 1.00 0.00 C ATOM 932 O VAL A 55 34.758 35.916 23.047 1.00 0.00 O ATOM 933 CB VAL A 55 34.887 33.078 24.645 1.00 0.00 C ATOM 934 CG1 VAL A 55 36.368 32.813 24.422 1.00 0.00 C ATOM 935 CG2 VAL A 55 34.326 32.146 25.709 1.00 0.00 C ATOM 0 H VAL A 55 32.743 34.906 24.285 1.00 0.00 H new ATOM 0 HA VAL A 55 35.090 34.750 26.022 1.00 0.00 H new ATOM 0 HB VAL A 55 34.361 32.884 23.710 1.00 0.00 H new ATOM 0 HG11 VAL A 55 36.513 31.770 24.142 1.00 0.00 H new ATOM 0 HG12 VAL A 55 36.737 33.457 23.624 1.00 0.00 H new ATOM 0 HG13 VAL A 55 36.917 33.022 25.340 1.00 0.00 H new ATOM 0 HG21 VAL A 55 34.496 31.111 25.413 1.00 0.00 H new ATOM 0 HG22 VAL A 55 34.824 32.338 26.660 1.00 0.00 H new ATOM 0 HG23 VAL A 55 33.256 32.321 25.818 1.00 0.00 H new ATOM 945 N LYS A 56 36.655 35.658 24.244 1.00 0.00 N ATOM 946 CA LYS A 56 37.542 36.474 23.420 1.00 0.00 C ATOM 947 C LYS A 56 38.972 35.920 23.312 1.00 0.00 C ATOM 948 O LYS A 56 39.344 34.954 23.978 1.00 0.00 O ATOM 949 CB LYS A 56 37.591 37.904 23.966 1.00 0.00 C ATOM 950 CG LYS A 56 36.445 38.784 23.495 1.00 0.00 C ATOM 951 CD LYS A 56 36.457 38.951 21.984 1.00 0.00 C ATOM 952 CE LYS A 56 35.306 39.826 21.513 1.00 0.00 C ATOM 953 NZ LYS A 56 35.311 40.008 20.035 1.00 0.00 N1+ ATOM 0 H LYS A 56 37.132 35.250 25.048 1.00 0.00 H new ATOM 0 HA LYS A 56 37.123 36.457 22.414 1.00 0.00 H new ATOM 0 HB2 LYS A 56 37.583 37.867 25.055 1.00 0.00 H new ATOM 0 HB3 LYS A 56 38.534 38.363 23.670 1.00 0.00 H new ATOM 0 HG2 LYS A 56 35.497 38.346 23.806 1.00 0.00 H new ATOM 0 HG3 LYS A 56 36.516 39.762 23.971 1.00 0.00 H new ATOM 0 HD2 LYS A 56 37.403 39.394 21.673 1.00 0.00 H new ATOM 0 HD3 LYS A 56 36.391 37.973 21.508 1.00 0.00 H new ATOM 0 HE2 LYS A 56 34.361 39.378 21.820 1.00 0.00 H new ATOM 0 HE3 LYS A 56 35.369 40.800 21.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.510 40.611 19.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 36.202 40.459 19.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 35.225 39.081 19.571 1.00 0.00 H new ATOM 967 N GLU A 57 39.751 36.569 22.452 1.00 0.00 N ATOM 968 CA GLU A 57 41.148 36.229 22.165 1.00 0.00 C ATOM 969 C GLU A 57 42.028 37.483 22.274 1.00 0.00 C ATOM 970 O GLU A 57 41.513 38.601 22.315 1.00 0.00 O ATOM 971 CB GLU A 57 41.241 35.581 20.771 1.00 0.00 C ATOM 972 CG GLU A 57 40.672 36.455 19.641 1.00 0.00 C ATOM 973 CD GLU A 57 41.173 36.055 18.248 1.00 0.00 C ATOM 974 OE1 GLU A 57 41.495 36.978 17.459 1.00 0.00 O ATOM 975 OE2 GLU A 57 41.182 34.855 17.892 1.00 0.00 O ATOM 0 H GLU A 57 39.421 37.372 21.917 1.00 0.00 H new ATOM 0 HA GLU A 57 41.514 35.509 22.897 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.285 35.357 20.554 1.00 0.00 H new ATOM 0 HB3 GLU A 57 40.708 34.630 20.786 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.584 36.395 19.658 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.937 37.496 19.829 1.00 0.00 H new ATOM 1076 N LYS A 65 48.802 31.711 20.917 1.00 0.00 N ATOM 1077 CA LYS A 65 47.619 32.437 21.358 1.00 0.00 C ATOM 1078 C LYS A 65 46.816 31.759 22.462 1.00 0.00 C ATOM 1079 O LYS A 65 47.012 30.587 22.784 1.00 0.00 O ATOM 1080 CB LYS A 65 46.696 32.709 20.164 1.00 0.00 C ATOM 1081 CG LYS A 65 46.339 31.475 19.347 1.00 0.00 C ATOM 1082 CD LYS A 65 45.115 31.701 18.474 1.00 0.00 C ATOM 1083 CE LYS A 65 44.770 30.461 17.665 1.00 0.00 C ATOM 1084 NZ LYS A 65 43.573 30.667 16.804 1.00 0.00 N1+ ATOM 0 HA LYS A 65 48.001 33.362 21.789 1.00 0.00 H new ATOM 0 HB2 LYS A 65 45.776 33.166 20.529 1.00 0.00 H new ATOM 0 HB3 LYS A 65 47.175 33.437 19.509 1.00 0.00 H new ATOM 0 HG2 LYS A 65 47.186 31.199 18.719 1.00 0.00 H new ATOM 0 HG3 LYS A 65 46.155 30.637 20.019 1.00 0.00 H new ATOM 0 HD2 LYS A 65 44.266 31.976 19.100 1.00 0.00 H new ATOM 0 HD3 LYS A 65 45.298 32.537 17.799 1.00 0.00 H new ATOM 0 HE2 LYS A 65 45.621 30.187 17.042 1.00 0.00 H new ATOM 0 HE3 LYS A 65 44.589 29.626 18.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 43.123 29.750 16.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 42.897 31.288 17.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 43.862 31.108 15.907 1.00 0.00 H new ATOM 1098 N THR A 66 45.904 32.540 23.027 1.00 0.00 N ATOM 1099 CA THR A 66 45.014 32.084 24.109 1.00 0.00 C ATOM 1100 C THR A 66 43.679 32.848 24.137 1.00 0.00 C ATOM 1101 O THR A 66 43.548 33.881 23.476 1.00 0.00 O ATOM 1102 CB THR A 66 45.764 32.174 25.440 1.00 0.00 C ATOM 1103 OG1 THR A 66 45.025 31.555 26.463 1.00 0.00 O ATOM 1104 CG2 THR A 66 46.077 33.610 25.863 1.00 0.00 C ATOM 0 H THR A 66 45.753 33.511 22.754 1.00 0.00 H new ATOM 0 HA THR A 66 44.742 31.045 23.925 1.00 0.00 H new ATOM 0 HB THR A 66 46.712 31.660 25.283 1.00 0.00 H new ATOM 0 HG1 THR A 66 45.518 31.619 27.307 1.00 0.00 H new ATOM 0 HG21 THR A 66 46.609 33.601 26.814 1.00 0.00 H new ATOM 0 HG22 THR A 66 46.698 34.086 25.104 1.00 0.00 H new ATOM 0 HG23 THR A 66 45.147 34.168 25.973 1.00 0.00 H new ATOM 1112 N PHE A 67 42.690 32.323 24.874 1.00 0.00 N ATOM 1113 CA PHE A 67 41.292 32.778 24.882 1.00 0.00 C ATOM 1114 C PHE A 67 40.828 33.073 26.317 1.00 0.00 C ATOM 1115 O PHE A 67 41.067 32.278 27.225 1.00 0.00 O ATOM 1116 CB PHE A 67 40.375 31.760 24.157 1.00 0.00 C ATOM 1117 CG PHE A 67 40.722 31.591 22.682 1.00 0.00 C ATOM 1118 CD1 PHE A 67 41.878 30.889 22.285 1.00 0.00 C ATOM 1119 CD2 PHE A 67 39.941 32.229 21.702 1.00 0.00 C ATOM 1120 CE1 PHE A 67 42.294 30.904 20.940 1.00 0.00 C ATOM 1121 CE2 PHE A 67 40.311 32.170 20.345 1.00 0.00 C ATOM 1122 CZ PHE A 67 41.503 31.535 19.967 1.00 0.00 C ATOM 0 H PHE A 67 42.848 31.538 25.506 1.00 0.00 H new ATOM 0 HA PHE A 67 41.223 33.713 24.326 1.00 0.00 H new ATOM 0 HB2 PHE A 67 40.449 30.793 24.655 1.00 0.00 H new ATOM 0 HB3 PHE A 67 39.339 32.085 24.246 1.00 0.00 H new ATOM 0 HD1 PHE A 67 42.448 30.336 23.017 1.00 0.00 H new ATOM 0 HD2 PHE A 67 39.051 32.768 21.992 1.00 0.00 H new ATOM 0 HE1 PHE A 67 43.222 30.430 20.657 1.00 0.00 H new ATOM 0 HE2 PHE A 67 39.676 32.615 19.593 1.00 0.00 H new ATOM 0 HZ PHE A 67 41.811 31.531 18.932 1.00 0.00 H new ATOM 1132 N TYR A 68 40.178 34.218 26.529 1.00 0.00 N ATOM 1133 CA TYR A 68 39.708 34.697 27.836 1.00 0.00 C ATOM 1134 C TYR A 68 38.191 34.921 27.845 1.00 0.00 C ATOM 1135 O TYR A 68 37.543 34.884 26.800 1.00 0.00 O ATOM 1136 CB TYR A 68 40.486 35.945 28.270 1.00 0.00 C ATOM 1137 CG TYR A 68 40.106 37.220 27.554 1.00 0.00 C ATOM 1138 CD1 TYR A 68 39.030 37.990 28.033 1.00 0.00 C ATOM 1139 CD2 TYR A 68 40.833 37.634 26.421 1.00 0.00 C ATOM 1140 CE1 TYR A 68 38.677 39.180 27.378 1.00 0.00 C ATOM 1141 CE2 TYR A 68 40.478 38.829 25.761 1.00 0.00 C ATOM 1142 CZ TYR A 68 39.404 39.612 26.250 1.00 0.00 C ATOM 1143 OH TYR A 68 39.042 40.763 25.626 1.00 0.00 O ATOM 0 H TYR A 68 39.955 34.862 25.771 1.00 0.00 H new ATOM 0 HA TYR A 68 39.907 33.919 28.573 1.00 0.00 H new ATOM 0 HB2 TYR A 68 40.340 36.091 29.340 1.00 0.00 H new ATOM 0 HB3 TYR A 68 41.549 35.763 28.115 1.00 0.00 H new ATOM 0 HD1 TYR A 68 38.477 37.666 28.902 1.00 0.00 H new ATOM 0 HD2 TYR A 68 41.659 37.039 26.059 1.00 0.00 H new ATOM 0 HE1 TYR A 68 37.845 39.767 27.739 1.00 0.00 H new ATOM 0 HE2 TYR A 68 41.024 39.146 24.885 1.00 0.00 H new ATOM 0 HH TYR A 68 39.640 40.926 24.867 1.00 0.00 H new ATOM 1153 N ILE A 69 37.608 35.118 29.030 1.00 0.00 N ATOM 1154 CA ILE A 69 36.154 35.069 29.245 1.00 0.00 C ATOM 1155 C ILE A 69 35.654 36.404 29.815 1.00 0.00 C ATOM 1156 O ILE A 69 36.274 36.983 30.710 1.00 0.00 O ATOM 1157 CB ILE A 69 35.791 33.831 30.096 1.00 0.00 C ATOM 1158 CG1 ILE A 69 36.289 32.518 29.435 1.00 0.00 C ATOM 1159 CG2 ILE A 69 34.272 33.710 30.320 1.00 0.00 C ATOM 1160 CD1 ILE A 69 37.675 32.044 29.906 1.00 0.00 C ATOM 0 H ILE A 69 38.136 35.319 29.879 1.00 0.00 H new ATOM 0 HA ILE A 69 35.631 34.945 28.297 1.00 0.00 H new ATOM 0 HB ILE A 69 36.288 33.974 31.056 1.00 0.00 H new ATOM 0 HG12 ILE A 69 35.564 31.729 29.635 1.00 0.00 H new ATOM 0 HG13 ILE A 69 36.317 32.659 28.355 1.00 0.00 H new ATOM 0 HG21 ILE A 69 34.062 32.826 30.923 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.909 34.597 30.838 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.768 33.621 29.358 1.00 0.00 H new ATOM 0 HD11 ILE A 69 37.938 31.121 29.390 1.00 0.00 H new ATOM 0 HD12 ILE A 69 38.417 32.810 29.681 1.00 0.00 H new ATOM 0 HD13 ILE A 69 37.652 31.865 30.981 1.00 0.00 H new ATOM 1172 N THR A 70 34.564 36.929 29.253 1.00 0.00 N ATOM 1173 CA THR A 70 34.037 38.270 29.519 1.00 0.00 C ATOM 1174 C THR A 70 33.031 38.279 30.685 1.00 0.00 C ATOM 1175 O THR A 70 32.394 37.259 30.974 1.00 0.00 O ATOM 1176 CB THR A 70 33.371 38.816 28.241 1.00 0.00 C ATOM 1177 OG1 THR A 70 32.185 38.114 27.958 1.00 0.00 O ATOM 1178 CG2 THR A 70 34.288 38.765 27.012 1.00 0.00 C ATOM 0 H THR A 70 34.003 36.414 28.575 1.00 0.00 H new ATOM 0 HA THR A 70 34.871 38.908 29.811 1.00 0.00 H new ATOM 0 HB THR A 70 33.150 39.864 28.445 1.00 0.00 H new ATOM 0 HG1 THR A 70 31.917 38.285 27.031 1.00 0.00 H new ATOM 0 HG21 THR A 70 33.759 39.164 26.146 1.00 0.00 H new ATOM 0 HG22 THR A 70 35.180 39.363 27.199 1.00 0.00 H new ATOM 0 HG23 THR A 70 34.577 37.732 26.816 1.00 0.00 H new ATOM 1186 N PRO A 71 32.814 39.430 31.358 1.00 0.00 N ATOM 1187 CA PRO A 71 31.830 39.524 32.439 1.00 0.00 C ATOM 1188 C PRO A 71 30.385 39.333 31.957 1.00 0.00 C ATOM 1189 O PRO A 71 29.535 38.955 32.754 1.00 0.00 O ATOM 1190 CB PRO A 71 32.032 40.908 33.062 1.00 0.00 C ATOM 1191 CG PRO A 71 32.567 41.731 31.891 1.00 0.00 C ATOM 1192 CD PRO A 71 33.451 40.726 31.152 1.00 0.00 C ATOM 0 HA PRO A 71 31.984 38.723 33.162 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.099 41.317 33.451 1.00 0.00 H new ATOM 0 HB3 PRO A 71 32.738 40.879 33.892 1.00 0.00 H new ATOM 0 HG2 PRO A 71 31.763 42.105 31.258 1.00 0.00 H new ATOM 0 HG3 PRO A 71 33.135 42.597 32.231 1.00 0.00 H new ATOM 0 HD2 PRO A 71 33.519 40.967 30.091 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.467 40.732 31.546 1.00 0.00 H new ATOM 1200 N ASN A 72 30.086 39.529 30.669 1.00 0.00 N ATOM 1201 CA ASN A 72 28.729 39.385 30.136 1.00 0.00 C ATOM 1202 C ASN A 72 28.162 37.966 30.321 1.00 0.00 C ATOM 1203 O ASN A 72 26.959 37.802 30.512 1.00 0.00 O ATOM 1204 CB ASN A 72 28.716 39.809 28.661 1.00 0.00 C ATOM 1205 CG ASN A 72 29.158 41.248 28.472 1.00 0.00 C ATOM 1206 OD1 ASN A 72 30.324 41.592 28.619 1.00 0.00 O ATOM 1207 ND2 ASN A 72 28.251 42.148 28.177 1.00 0.00 N ATOM 0 H ASN A 72 30.778 39.792 29.967 1.00 0.00 H new ATOM 0 HA ASN A 72 28.071 40.040 30.707 1.00 0.00 H new ATOM 0 HB2 ASN A 72 29.372 39.152 28.090 1.00 0.00 H new ATOM 0 HB3 ASN A 72 27.711 39.684 28.258 1.00 0.00 H new ATOM 0 HD21 ASN A 72 28.519 43.127 28.072 1.00 0.00 H new ATOM 0 HD22 ASN A 72 27.278 41.869 28.053 1.00 0.00 H new ATOM 1214 N GLY A 73 29.015 36.933 30.345 1.00 0.00 N ATOM 1215 CA GLY A 73 28.573 35.573 30.664 1.00 0.00 C ATOM 1216 C GLY A 73 28.071 35.425 32.107 1.00 0.00 C ATOM 1217 O GLY A 73 27.119 34.683 32.338 1.00 0.00 O ATOM 0 H GLY A 73 30.012 37.015 30.148 1.00 0.00 H new ATOM 0 HA2 GLY A 73 27.776 35.286 29.977 1.00 0.00 H new ATOM 0 HA3 GLY A 73 29.399 34.881 30.501 1.00 0.00 H new ATOM 1221 N ILE A 74 28.631 36.167 33.076 1.00 0.00 N ATOM 1222 CA ILE A 74 28.203 36.150 34.491 1.00 0.00 C ATOM 1223 C ILE A 74 26.739 36.585 34.658 1.00 0.00 C ATOM 1224 O ILE A 74 26.071 36.095 35.569 1.00 0.00 O ATOM 1225 CB ILE A 74 29.166 36.985 35.373 1.00 0.00 C ATOM 1226 CG1 ILE A 74 30.494 36.213 35.506 1.00 0.00 C ATOM 1227 CG2 ILE A 74 28.618 37.305 36.777 1.00 0.00 C ATOM 1228 CD1 ILE A 74 31.667 37.073 35.971 1.00 0.00 C ATOM 0 H ILE A 74 29.406 36.806 32.899 1.00 0.00 H new ATOM 0 HA ILE A 74 28.255 35.118 34.837 1.00 0.00 H new ATOM 0 HB ILE A 74 29.300 37.947 34.878 1.00 0.00 H new ATOM 0 HG12 ILE A 74 30.357 35.392 36.210 1.00 0.00 H new ATOM 0 HG13 ILE A 74 30.742 35.768 34.542 1.00 0.00 H new ATOM 0 HG21 ILE A 74 29.352 37.891 37.329 1.00 0.00 H new ATOM 0 HG22 ILE A 74 27.693 37.875 36.685 1.00 0.00 H new ATOM 0 HG23 ILE A 74 28.420 36.376 37.311 1.00 0.00 H new ATOM 0 HD11 ILE A 74 32.564 36.458 36.040 1.00 0.00 H new ATOM 0 HD12 ILE A 74 31.833 37.879 35.256 1.00 0.00 H new ATOM 0 HD13 ILE A 74 31.442 37.497 36.950 1.00 0.00 H new ATOM 1240 N GLU A 75 26.201 37.419 33.762 1.00 0.00 N ATOM 1241 CA GLU A 75 24.767 37.752 33.720 1.00 0.00 C ATOM 1242 C GLU A 75 23.922 36.477 33.571 1.00 0.00 C ATOM 1243 O GLU A 75 23.012 36.222 34.358 1.00 0.00 O ATOM 1244 CB GLU A 75 24.464 38.712 32.553 1.00 0.00 C ATOM 1245 CG GLU A 75 25.277 40.020 32.574 1.00 0.00 C ATOM 1246 CD GLU A 75 25.190 40.792 31.247 1.00 0.00 C ATOM 1247 OE1 GLU A 75 26.128 41.572 30.942 1.00 0.00 O ATOM 1248 OE2 GLU A 75 24.202 40.636 30.491 1.00 0.00 O ATOM 0 H GLU A 75 26.749 37.887 33.040 1.00 0.00 H new ATOM 0 HA GLU A 75 24.509 38.244 34.658 1.00 0.00 H new ATOM 0 HB2 GLU A 75 24.657 38.194 31.614 1.00 0.00 H new ATOM 0 HB3 GLU A 75 23.402 38.959 32.568 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.916 40.655 33.384 1.00 0.00 H new ATOM 0 HG3 GLU A 75 26.321 39.791 32.789 1.00 0.00 H new ATOM 1255 N LYS A 76 24.301 35.601 32.630 1.00 0.00 N ATOM 1256 CA LYS A 76 23.676 34.285 32.437 1.00 0.00 C ATOM 1257 C LYS A 76 23.922 33.359 33.636 1.00 0.00 C ATOM 1258 O LYS A 76 23.070 32.527 33.938 1.00 0.00 O ATOM 1259 CB LYS A 76 24.209 33.616 31.156 1.00 0.00 C ATOM 1260 CG LYS A 76 24.446 34.510 29.926 1.00 0.00 C ATOM 1261 CD LYS A 76 23.257 35.330 29.398 1.00 0.00 C ATOM 1262 CE LYS A 76 22.209 34.509 28.627 1.00 0.00 C ATOM 1263 NZ LYS A 76 21.154 35.355 28.021 1.00 0.00 N1+ ATOM 0 H LYS A 76 25.059 35.789 31.974 1.00 0.00 H new ATOM 0 HA LYS A 76 22.602 34.449 32.344 1.00 0.00 H new ATOM 0 HB2 LYS A 76 25.152 33.126 31.401 1.00 0.00 H new ATOM 0 HB3 LYS A 76 23.507 32.832 30.870 1.00 0.00 H new ATOM 0 HG2 LYS A 76 25.252 35.204 30.166 1.00 0.00 H new ATOM 0 HG3 LYS A 76 24.803 33.876 29.114 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.768 35.821 30.239 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.636 36.117 28.746 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.706 33.937 27.843 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.748 33.789 29.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.475 34.753 27.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.659 35.882 28.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.587 36.025 27.354 1.00 0.00 H new ATOM 1277 N LEU A 77 25.057 33.503 34.336 1.00 0.00 N ATOM 1278 CA LEU A 77 25.371 32.729 35.549 1.00 0.00 C ATOM 1279 C LEU A 77 24.475 33.078 36.753 1.00 0.00 C ATOM 1280 O LEU A 77 24.417 32.290 37.694 1.00 0.00 O ATOM 1281 CB LEU A 77 26.859 32.816 35.945 1.00 0.00 C ATOM 1282 CG LEU A 77 27.880 32.487 34.842 1.00 0.00 C ATOM 1283 CD1 LEU A 77 29.296 32.484 35.408 1.00 0.00 C ATOM 1284 CD2 LEU A 77 27.631 31.166 34.138 1.00 0.00 C ATOM 0 H LEU A 77 25.789 34.164 34.076 1.00 0.00 H new ATOM 0 HA LEU A 77 25.154 31.697 35.275 1.00 0.00 H new ATOM 0 HB2 LEU A 77 27.058 33.825 36.305 1.00 0.00 H new ATOM 0 HB3 LEU A 77 27.030 32.139 36.782 1.00 0.00 H new ATOM 0 HG LEU A 77 27.760 33.273 34.097 1.00 0.00 H new ATOM 0 HD11 LEU A 77 30.005 32.249 34.614 1.00 0.00 H new ATOM 0 HD12 LEU A 77 29.525 33.467 35.820 1.00 0.00 H new ATOM 0 HD13 LEU A 77 29.372 31.734 36.195 1.00 0.00 H new ATOM 0 HD21 LEU A 77 28.395 31.010 33.376 1.00 0.00 H new ATOM 0 HD22 LEU A 77 27.672 30.354 34.864 1.00 0.00 H new ATOM 0 HD23 LEU A 77 26.648 31.184 33.668 1.00 0.00 H new