USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=23 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 54 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 MET CE :methyl 179:sc= -0.287 (180deg=-0.291) USER MOD Set 2.2: A 35 SER OG : rot -36:sc= 0.77 USER MOD Single : A 4 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.53) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.4!) USER MOD Single : A 8 TYR OH : rot 130:sc= 0.0266 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.0127 (180deg=-0.0127) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc=-0.00212 F(o=-1.5!,f=-0.0021) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 19 CYS SG : rot -136:sc= -2.37! USER MOD Single : A 20 THR OG1 : rot 7:sc=-0.00476 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.063 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 131:sc= 1.29 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.179 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0254) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 164:sc= 0 (180deg=-0.311) 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 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.21) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0545 USER MOD Single : A 70 THR OG1 : rot -164:sc= 1.06 USER MOD Single : A 72 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.00015) USER MOD ----------------------------------------------------------------- ATOM 46 N ASN A 4 20.728 25.082 28.094 1.00 0.00 N ATOM 47 CA ASN A 4 21.255 23.797 27.650 1.00 0.00 C ATOM 48 C ASN A 4 22.679 23.622 28.186 1.00 0.00 C ATOM 49 O ASN A 4 23.478 24.558 28.135 1.00 0.00 O ATOM 50 CB ASN A 4 21.260 23.722 26.123 1.00 0.00 C ATOM 51 CG ASN A 4 19.875 23.883 25.528 1.00 0.00 C ATOM 52 OD1 ASN A 4 18.889 24.031 26.250 1.00 0.00 O ATOM 53 ND2 ASN A 4 19.794 23.855 24.203 1.00 0.00 N ATOM 0 HA ASN A 4 20.619 22.999 28.033 1.00 0.00 H new ATOM 0 HB2 ASN A 4 21.914 24.498 25.727 1.00 0.00 H new ATOM 0 HB3 ASN A 4 21.677 22.764 25.811 1.00 0.00 H new ATOM 0 HD21 ASN A 4 18.888 23.958 23.745 1.00 0.00 H new ATOM 0 HD22 ASN A 4 20.637 23.730 23.643 1.00 0.00 H new ATOM 60 N LYS A 5 23.002 22.435 28.698 1.00 0.00 N ATOM 61 CA LYS A 5 24.327 22.187 29.255 1.00 0.00 C ATOM 62 C LYS A 5 25.273 21.440 28.316 1.00 0.00 C ATOM 63 O LYS A 5 26.316 20.956 28.755 1.00 0.00 O ATOM 64 CB LYS A 5 24.209 21.276 30.480 1.00 0.00 C ATOM 65 CG LYS A 5 25.347 21.428 31.476 1.00 0.00 C ATOM 66 CD LYS A 5 25.145 20.535 32.689 1.00 0.00 C ATOM 67 CE LYS A 5 26.295 20.668 33.673 1.00 0.00 C ATOM 68 NZ LYS A 5 26.113 19.799 34.868 1.00 0.00 N1+ ATOM 0 H LYS A 5 22.368 21.637 28.738 1.00 0.00 H new ATOM 0 HA LYS A 5 24.725 23.179 29.468 1.00 0.00 H new ATOM 0 HB2 LYS A 5 23.267 21.485 30.986 1.00 0.00 H new ATOM 0 HB3 LYS A 5 24.168 20.239 30.146 1.00 0.00 H new ATOM 0 HG2 LYS A 5 26.292 21.179 30.992 1.00 0.00 H new ATOM 0 HG3 LYS A 5 25.417 22.468 31.795 1.00 0.00 H new ATOM 0 HD2 LYS A 5 24.209 20.796 33.183 1.00 0.00 H new ATOM 0 HD3 LYS A 5 25.057 19.497 32.368 1.00 0.00 H new ATOM 0 HE2 LYS A 5 27.229 20.408 33.175 1.00 0.00 H new ATOM 0 HE3 LYS A 5 26.381 21.707 33.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 26.920 19.921 35.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 25.235 20.063 35.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 26.057 18.805 34.569 1.00 0.00 H new ATOM 82 N ASN A 6 24.829 21.233 27.079 1.00 0.00 N ATOM 83 CA ASN A 6 25.664 20.612 26.063 1.00 0.00 C ATOM 84 C ASN A 6 26.806 21.557 25.692 1.00 0.00 C ATOM 85 O ASN A 6 27.957 21.142 25.563 1.00 0.00 O ATOM 86 CB ASN A 6 24.836 20.276 24.822 1.00 0.00 C ATOM 87 CG ASN A 6 23.709 19.307 25.119 1.00 0.00 C ATOM 88 OD1 ASN A 6 23.462 18.957 26.273 1.00 0.00 O ATOM 89 ND2 ASN A 6 23.016 18.868 24.074 1.00 0.00 N ATOM 0 H ASN A 6 23.895 21.488 26.759 1.00 0.00 H new ATOM 0 HA ASN A 6 26.077 19.686 26.462 1.00 0.00 H new ATOM 0 HB2 ASN A 6 24.421 21.194 24.407 1.00 0.00 H new ATOM 0 HB3 ASN A 6 25.487 19.848 24.060 1.00 0.00 H new ATOM 0 HD21 ASN A 6 22.245 18.215 24.211 1.00 0.00 H new ATOM 0 HD22 ASN A 6 23.255 19.184 23.134 1.00 0.00 H new ATOM 96 N GLU A 7 26.468 22.836 25.521 1.00 0.00 N ATOM 97 CA GLU A 7 27.450 23.860 25.167 1.00 0.00 C ATOM 98 C GLU A 7 27.775 24.773 26.346 1.00 0.00 C ATOM 99 O GLU A 7 28.943 25.005 26.657 1.00 0.00 O ATOM 100 CB GLU A 7 26.939 24.698 23.993 1.00 0.00 C ATOM 101 CG GLU A 7 26.655 23.894 22.735 1.00 0.00 C ATOM 102 CD GLU A 7 26.193 24.761 21.580 1.00 0.00 C ATOM 103 OE1 GLU A 7 25.961 24.215 20.481 1.00 0.00 O ATOM 104 OE2 GLU A 7 26.063 25.988 21.772 1.00 0.00 O ATOM 0 H GLU A 7 25.516 23.188 25.623 1.00 0.00 H new ATOM 0 HA GLU A 7 28.367 23.345 24.881 1.00 0.00 H new ATOM 0 HB2 GLU A 7 26.027 25.212 24.297 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.676 25.467 23.761 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.556 23.355 22.442 1.00 0.00 H new ATOM 0 HG3 GLU A 7 25.892 23.146 22.951 1.00 0.00 H new ATOM 111 N TYR A 8 26.737 25.289 27.000 1.00 0.00 N ATOM 112 CA TYR A 8 26.942 26.156 28.173 1.00 0.00 C ATOM 113 C TYR A 8 27.739 25.464 29.285 1.00 0.00 C ATOM 114 O TYR A 8 28.398 26.136 30.072 1.00 0.00 O ATOM 115 CB TYR A 8 25.568 26.663 28.649 1.00 0.00 C ATOM 116 CG TYR A 8 25.553 27.815 29.642 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.415 28.921 29.507 1.00 0.00 C ATOM 118 CD2 TYR A 8 24.607 27.809 30.681 1.00 0.00 C ATOM 119 CE1 TYR A 8 26.369 29.984 30.426 1.00 0.00 C ATOM 120 CE2 TYR A 8 24.531 28.884 31.586 1.00 0.00 C ATOM 121 CZ TYR A 8 25.426 29.970 31.471 1.00 0.00 C ATOM 122 OH TYR A 8 25.400 31.009 32.346 1.00 0.00 O ATOM 0 H TYR A 8 25.761 25.130 26.750 1.00 0.00 H new ATOM 0 HA TYR A 8 27.556 27.010 27.887 1.00 0.00 H new ATOM 0 HB2 TYR A 8 24.999 26.968 27.771 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.036 25.824 29.098 1.00 0.00 H new ATOM 0 HD1 TYR A 8 27.119 28.953 28.689 1.00 0.00 H new ATOM 0 HD2 TYR A 8 23.932 26.972 30.786 1.00 0.00 H new ATOM 0 HE1 TYR A 8 27.057 30.811 30.330 1.00 0.00 H new ATOM 0 HE2 TYR A 8 23.787 28.878 32.369 1.00 0.00 H new ATOM 0 HH TYR A 8 24.481 31.338 32.437 1.00 0.00 H new ATOM 132 N LYS A 9 27.807 24.123 29.256 1.00 0.00 N ATOM 133 CA LYS A 9 28.694 23.282 30.069 1.00 0.00 C ATOM 134 C LYS A 9 30.118 23.854 30.171 1.00 0.00 C ATOM 135 O LYS A 9 30.676 23.914 31.261 1.00 0.00 O ATOM 136 CB LYS A 9 28.714 21.885 29.427 1.00 0.00 C ATOM 137 CG LYS A 9 30.115 21.272 29.293 1.00 0.00 C ATOM 138 CD LYS A 9 30.083 19.801 28.837 1.00 0.00 C ATOM 139 CE LYS A 9 31.356 19.021 29.201 1.00 0.00 C ATOM 140 NZ LYS A 9 31.208 17.573 28.917 1.00 0.00 N1+ ATOM 0 H LYS A 9 27.216 23.572 28.634 1.00 0.00 H new ATOM 0 HA LYS A 9 28.316 23.241 31.091 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.093 21.216 30.022 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.261 21.946 28.438 1.00 0.00 H new ATOM 0 HG2 LYS A 9 30.695 21.856 28.579 1.00 0.00 H new ATOM 0 HG3 LYS A 9 30.629 21.339 30.252 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.222 19.307 29.288 1.00 0.00 H new ATOM 0 HD3 LYS A 9 29.941 19.766 27.757 1.00 0.00 H new ATOM 0 HE2 LYS A 9 32.201 19.418 28.638 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.582 19.164 30.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.085 17.077 29.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 30.417 17.189 29.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 31.017 17.436 27.904 1.00 0.00 H new ATOM 154 N ILE A 10 30.673 24.338 29.055 1.00 0.00 N ATOM 155 CA ILE A 10 32.009 24.959 28.983 1.00 0.00 C ATOM 156 C ILE A 10 32.122 26.201 29.872 1.00 0.00 C ATOM 157 O ILE A 10 33.036 26.303 30.685 1.00 0.00 O ATOM 158 CB ILE A 10 32.316 25.346 27.520 1.00 0.00 C ATOM 159 CG1 ILE A 10 32.404 24.139 26.572 1.00 0.00 C ATOM 160 CG2 ILE A 10 33.558 26.250 27.410 1.00 0.00 C ATOM 161 CD1 ILE A 10 33.532 23.164 26.884 1.00 0.00 C ATOM 0 H ILE A 10 30.198 24.310 28.153 1.00 0.00 H new ATOM 0 HA ILE A 10 32.731 24.228 29.346 1.00 0.00 H new ATOM 0 HB ILE A 10 31.456 25.926 27.185 1.00 0.00 H new ATOM 0 HG12 ILE A 10 31.457 23.600 26.604 1.00 0.00 H new ATOM 0 HG13 ILE A 10 32.529 24.504 25.552 1.00 0.00 H new ATOM 0 HG21 ILE A 10 33.736 26.497 26.364 1.00 0.00 H new ATOM 0 HG22 ILE A 10 33.392 27.166 27.976 1.00 0.00 H new ATOM 0 HG23 ILE A 10 34.426 25.727 27.812 1.00 0.00 H new ATOM 0 HD11 ILE A 10 33.515 22.346 26.164 1.00 0.00 H new ATOM 0 HD12 ILE A 10 34.489 23.683 26.822 1.00 0.00 H new ATOM 0 HD13 ILE A 10 33.400 22.765 27.890 1.00 0.00 H new ATOM 173 N LEU A 11 31.189 27.144 29.719 1.00 0.00 N ATOM 174 CA LEU A 11 31.162 28.398 30.477 1.00 0.00 C ATOM 175 C LEU A 11 30.922 28.168 31.977 1.00 0.00 C ATOM 176 O LEU A 11 31.262 29.017 32.797 1.00 0.00 O ATOM 177 CB LEU A 11 30.095 29.319 29.867 1.00 0.00 C ATOM 178 CG LEU A 11 30.532 29.978 28.536 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.363 30.745 27.924 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.670 30.979 28.739 1.00 0.00 C ATOM 0 H LEU A 11 30.419 27.057 29.055 1.00 0.00 H new ATOM 0 HA LEU A 11 32.140 28.874 30.404 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.185 28.744 29.696 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.848 30.100 30.586 1.00 0.00 H new ATOM 0 HG LEU A 11 30.867 29.171 27.884 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.680 31.205 26.988 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.539 30.058 27.730 1.00 0.00 H new ATOM 0 HD13 LEU A 11 29.034 31.520 28.616 1.00 0.00 H new ATOM 0 HD21 LEU A 11 31.945 31.417 27.779 1.00 0.00 H new ATOM 0 HD22 LEU A 11 31.345 31.767 29.418 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.533 30.467 29.165 1.00 0.00 H new ATOM 192 N ILE A 12 30.385 27.002 32.334 1.00 0.00 N ATOM 193 CA ILE A 12 30.134 26.599 33.720 1.00 0.00 C ATOM 194 C ILE A 12 31.397 25.994 34.356 1.00 0.00 C ATOM 195 O ILE A 12 31.662 26.265 35.522 1.00 0.00 O ATOM 196 CB ILE A 12 28.892 25.684 33.795 1.00 0.00 C ATOM 197 CG1 ILE A 12 27.653 26.419 33.224 1.00 0.00 C ATOM 198 CG2 ILE A 12 28.596 25.250 35.242 1.00 0.00 C ATOM 199 CD1 ILE A 12 26.532 25.465 32.814 1.00 0.00 C ATOM 0 H ILE A 12 30.106 26.295 31.654 1.00 0.00 H new ATOM 0 HA ILE A 12 29.901 27.479 34.319 1.00 0.00 H new ATOM 0 HB ILE A 12 29.105 24.794 33.202 1.00 0.00 H new ATOM 0 HG12 ILE A 12 27.274 27.117 33.971 1.00 0.00 H new ATOM 0 HG13 ILE A 12 27.954 27.010 32.359 1.00 0.00 H new ATOM 0 HG21 ILE A 12 27.716 24.607 35.256 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.451 24.703 35.640 1.00 0.00 H new ATOM 0 HG23 ILE A 12 28.412 26.132 35.856 1.00 0.00 H new ATOM 0 HD11 ILE A 12 25.692 26.038 32.422 1.00 0.00 H new ATOM 0 HD12 ILE A 12 26.897 24.784 32.045 1.00 0.00 H new ATOM 0 HD13 ILE A 12 26.207 24.892 33.682 1.00 0.00 H new ATOM 211 N MET A 13 32.249 25.292 33.599 1.00 0.00 N ATOM 212 CA MET A 13 33.532 24.759 34.101 1.00 0.00 C ATOM 213 C MET A 13 34.417 25.860 34.722 1.00 0.00 C ATOM 214 O MET A 13 34.878 25.735 35.857 1.00 0.00 O ATOM 215 CB MET A 13 34.304 24.056 32.970 1.00 0.00 C ATOM 216 CG MET A 13 33.636 22.787 32.425 1.00 0.00 C ATOM 217 SD MET A 13 33.973 21.266 33.354 1.00 0.00 S ATOM 218 CE MET A 13 33.097 20.083 32.295 1.00 0.00 C ATOM 0 H MET A 13 32.072 25.074 32.618 1.00 0.00 H new ATOM 0 HA MET A 13 33.291 24.040 34.884 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.438 24.760 32.149 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.298 23.798 33.334 1.00 0.00 H new ATOM 0 HG2 MET A 13 32.558 22.946 32.402 1.00 0.00 H new ATOM 0 HG3 MET A 13 33.959 22.641 31.394 1.00 0.00 H new ATOM 0 HE1 MET A 13 33.209 19.078 32.702 1.00 0.00 H new ATOM 0 HE2 MET A 13 32.039 20.343 32.256 1.00 0.00 H new ATOM 0 HE3 MET A 13 33.516 20.116 31.289 1.00 0.00 H new ATOM 228 N LEU A 14 34.615 26.986 34.021 1.00 0.00 N ATOM 229 CA LEU A 14 35.373 28.123 34.558 1.00 0.00 C ATOM 230 C LEU A 14 34.597 28.925 35.613 1.00 0.00 C ATOM 231 O LEU A 14 35.211 29.671 36.371 1.00 0.00 O ATOM 232 CB LEU A 14 35.919 29.063 33.465 1.00 0.00 C ATOM 233 CG LEU A 14 35.821 28.632 31.986 1.00 0.00 C ATOM 234 CD1 LEU A 14 34.525 29.157 31.386 1.00 0.00 C ATOM 235 CD2 LEU A 14 37.018 29.146 31.191 1.00 0.00 C ATOM 0 H LEU A 14 34.258 27.133 33.077 1.00 0.00 H new ATOM 0 HA LEU A 14 36.228 27.665 35.055 1.00 0.00 H new ATOM 0 HB2 LEU A 14 35.402 30.017 33.564 1.00 0.00 H new ATOM 0 HB3 LEU A 14 36.971 29.246 33.685 1.00 0.00 H new ATOM 0 HG LEU A 14 35.825 27.543 31.937 1.00 0.00 H new ATOM 0 HD11 LEU A 14 34.458 28.852 30.342 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.678 28.751 31.938 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.510 30.245 31.448 1.00 0.00 H new ATOM 0 HD21 LEU A 14 36.927 28.830 30.152 1.00 0.00 H new ATOM 0 HD22 LEU A 14 37.046 30.235 31.238 1.00 0.00 H new ATOM 0 HD23 LEU A 14 37.937 28.741 31.614 1.00 0.00 H new ATOM 247 N LYS A 15 33.271 28.776 35.693 1.00 0.00 N ATOM 248 CA LYS A 15 32.449 29.314 36.784 1.00 0.00 C ATOM 249 C LYS A 15 32.725 28.547 38.080 1.00 0.00 C ATOM 250 O LYS A 15 32.960 29.165 39.112 1.00 0.00 O ATOM 251 CB LYS A 15 30.973 29.244 36.355 1.00 0.00 C ATOM 252 CG LYS A 15 29.986 30.080 37.169 1.00 0.00 C ATOM 253 CD LYS A 15 29.721 29.597 38.592 1.00 0.00 C ATOM 254 CE LYS A 15 28.604 30.463 39.196 1.00 0.00 C ATOM 255 NZ LYS A 15 28.032 29.868 40.423 1.00 0.00 N1+ ATOM 0 H LYS A 15 32.730 28.271 34.992 1.00 0.00 H new ATOM 0 HA LYS A 15 32.699 30.356 36.984 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.906 29.556 35.313 1.00 0.00 H new ATOM 0 HB3 LYS A 15 30.654 28.202 36.398 1.00 0.00 H new ATOM 0 HG2 LYS A 15 30.359 31.103 37.216 1.00 0.00 H new ATOM 0 HG3 LYS A 15 29.037 30.111 36.633 1.00 0.00 H new ATOM 0 HD2 LYS A 15 29.427 28.547 38.588 1.00 0.00 H new ATOM 0 HD3 LYS A 15 30.627 29.672 39.193 1.00 0.00 H new ATOM 0 HE2 LYS A 15 28.999 31.453 39.425 1.00 0.00 H new ATOM 0 HE3 LYS A 15 27.813 30.598 38.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 27.283 30.488 40.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 27.631 28.934 40.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 28.779 29.763 41.139 1.00 0.00 H new ATOM 269 N GLU A 16 32.784 27.217 38.007 1.00 0.00 N ATOM 270 CA GLU A 16 33.125 26.333 39.128 1.00 0.00 C ATOM 271 C GLU A 16 34.574 26.528 39.599 1.00 0.00 C ATOM 272 O GLU A 16 34.788 26.789 40.783 1.00 0.00 O ATOM 273 CB GLU A 16 32.874 24.865 38.749 1.00 0.00 C ATOM 274 CG GLU A 16 31.381 24.566 38.555 1.00 0.00 C ATOM 275 CD GLU A 16 31.115 23.072 38.336 1.00 0.00 C ATOM 276 OE1 GLU A 16 31.910 22.372 37.671 1.00 0.00 O ATOM 277 OE2 GLU A 16 30.113 22.566 38.896 1.00 0.00 O ATOM 0 H GLU A 16 32.591 26.709 37.144 1.00 0.00 H new ATOM 0 HA GLU A 16 32.476 26.601 39.962 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.412 24.631 37.831 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.275 24.216 39.528 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.827 24.908 39.429 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.007 25.129 37.700 1.00 0.00 H new ATOM 284 N ASN A 17 35.504 26.544 38.649 1.00 0.00 N ATOM 285 CA ASN A 17 36.930 26.753 38.908 1.00 0.00 C ATOM 286 C ASN A 17 37.299 28.211 39.246 1.00 0.00 C ATOM 287 O ASN A 17 38.449 28.479 39.607 1.00 0.00 O ATOM 288 CB ASN A 17 37.753 26.288 37.704 1.00 0.00 C ATOM 289 CG ASN A 17 37.604 24.803 37.432 1.00 0.00 C ATOM 290 OD1 ASN A 17 37.193 24.050 38.447 1.00 0.00 O flip ATOM 291 ND2 ASN A 17 37.857 24.337 36.321 1.00 0.00 N flip ATOM 0 H ASN A 17 35.288 26.410 37.661 1.00 0.00 H new ATOM 0 HA ASN A 17 37.164 26.160 39.792 1.00 0.00 H new ATOM 0 HB2 ASN A 17 37.445 26.848 36.821 1.00 0.00 H new ATOM 0 HB3 ASN A 17 38.804 26.518 37.877 1.00 0.00 H new ATOM 0 HD21 ASN A 17 38.170 24.951 35.569 1.00 0.00 H new ATOM 0 HD22 ASN A 17 37.754 23.336 36.152 1.00 0.00 H new ATOM 298 N GLN A 18 36.342 29.131 39.062 1.00 0.00 N ATOM 299 CA GLN A 18 36.485 30.584 39.312 1.00 0.00 C ATOM 300 C GLN A 18 37.526 31.271 38.416 1.00 0.00 C ATOM 301 O GLN A 18 38.167 32.248 38.803 1.00 0.00 O ATOM 302 CB GLN A 18 36.730 30.906 40.798 1.00 0.00 C ATOM 303 CG GLN A 18 35.627 30.424 41.727 1.00 0.00 C ATOM 304 CD GLN A 18 35.894 30.772 43.178 1.00 0.00 C ATOM 305 OE1 GLN A 18 36.928 31.352 43.509 1.00 0.00 O ATOM 306 NE2 GLN A 18 34.959 30.418 44.053 1.00 0.00 N ATOM 0 H GLN A 18 35.413 28.882 38.723 1.00 0.00 H new ATOM 0 HA GLN A 18 35.520 31.007 39.035 1.00 0.00 H new ATOM 0 HB2 GLN A 18 37.673 30.454 41.106 1.00 0.00 H new ATOM 0 HB3 GLN A 18 36.841 31.984 40.912 1.00 0.00 H new ATOM 0 HG2 GLN A 18 34.679 30.866 41.420 1.00 0.00 H new ATOM 0 HG3 GLN A 18 35.521 29.343 41.630 1.00 0.00 H new ATOM 0 HE21 GLN A 18 34.117 29.939 43.734 1.00 0.00 H new ATOM 0 HE22 GLN A 18 35.083 30.626 45.044 1.00 0.00 H new ATOM 315 N CYS A 19 37.666 30.728 37.213 1.00 0.00 N ATOM 316 CA CYS A 19 38.559 31.255 36.188 1.00 0.00 C ATOM 317 C CYS A 19 37.774 32.030 35.116 1.00 0.00 C ATOM 318 O CYS A 19 37.757 31.675 33.940 1.00 0.00 O ATOM 319 CB CYS A 19 39.426 30.116 35.663 1.00 0.00 C ATOM 320 SG CYS A 19 40.897 30.825 34.875 1.00 0.00 S ATOM 0 H CYS A 19 37.155 29.896 36.917 1.00 0.00 H new ATOM 0 HA CYS A 19 39.240 31.998 36.604 1.00 0.00 H new ATOM 0 HB2 CYS A 19 39.716 29.454 36.479 1.00 0.00 H new ATOM 0 HB3 CYS A 19 38.867 29.514 34.947 1.00 0.00 H new ATOM 0 HG CYS A 19 41.125 30.213 33.751 1.00 0.00 H new ATOM 326 N THR A 20 37.044 33.057 35.556 1.00 0.00 N ATOM 327 CA THR A 20 36.037 33.746 34.740 1.00 0.00 C ATOM 328 C THR A 20 36.216 35.266 34.810 1.00 0.00 C ATOM 329 O THR A 20 35.661 35.965 35.655 1.00 0.00 O ATOM 330 CB THR A 20 34.639 33.193 35.063 1.00 0.00 C ATOM 331 OG1 THR A 20 33.723 33.713 34.145 1.00 0.00 O ATOM 332 CG2 THR A 20 34.093 33.448 36.469 1.00 0.00 C ATOM 0 H THR A 20 37.135 33.439 36.497 1.00 0.00 H new ATOM 0 HA THR A 20 36.176 33.533 33.680 1.00 0.00 H new ATOM 0 HB THR A 20 34.763 32.112 35.000 1.00 0.00 H new ATOM 0 HG1 THR A 20 34.202 34.214 33.453 1.00 0.00 H new ATOM 0 HG21 THR A 20 33.101 33.005 36.560 1.00 0.00 H new ATOM 0 HG22 THR A 20 34.760 32.999 37.205 1.00 0.00 H new ATOM 0 HG23 THR A 20 34.028 34.522 36.645 1.00 0.00 H new ATOM 340 N THR A 21 37.126 35.758 33.963 1.00 0.00 N ATOM 341 CA THR A 21 37.532 37.167 33.807 1.00 0.00 C ATOM 342 C THR A 21 38.459 37.299 32.601 1.00 0.00 C ATOM 343 O THR A 21 38.995 36.303 32.112 1.00 0.00 O ATOM 344 CB THR A 21 38.239 37.679 35.084 1.00 0.00 C ATOM 345 OG1 THR A 21 38.746 38.987 34.931 1.00 0.00 O ATOM 346 CG2 THR A 21 39.434 36.815 35.487 1.00 0.00 C ATOM 0 H THR A 21 37.634 35.146 33.324 1.00 0.00 H new ATOM 0 HA THR A 21 36.641 37.775 33.647 1.00 0.00 H new ATOM 0 HB THR A 21 37.461 37.644 35.847 1.00 0.00 H new ATOM 0 HG1 THR A 21 39.182 39.268 35.762 1.00 0.00 H new ATOM 0 HG21 THR A 21 39.890 37.223 36.389 1.00 0.00 H new ATOM 0 HG22 THR A 21 39.098 35.796 35.679 1.00 0.00 H new ATOM 0 HG23 THR A 21 40.167 36.809 34.681 1.00 0.00 H new ATOM 354 N GLU A 22 38.700 38.531 32.152 1.00 0.00 N ATOM 355 CA GLU A 22 39.726 38.834 31.157 1.00 0.00 C ATOM 356 C GLU A 22 41.157 38.568 31.666 1.00 0.00 C ATOM 357 O GLU A 22 42.068 38.305 30.881 1.00 0.00 O ATOM 358 CB GLU A 22 39.654 40.294 30.704 1.00 0.00 C ATOM 359 CG GLU A 22 38.259 40.907 30.558 1.00 0.00 C ATOM 360 CD GLU A 22 38.334 42.296 29.910 1.00 0.00 C ATOM 361 OE1 GLU A 22 37.326 43.028 29.989 1.00 0.00 O ATOM 362 OE2 GLU A 22 39.391 42.668 29.339 1.00 0.00 O ATOM 0 H GLU A 22 38.185 39.351 32.471 1.00 0.00 H new ATOM 0 HA GLU A 22 39.517 38.164 30.323 1.00 0.00 H new ATOM 0 HB2 GLU A 22 40.217 40.898 31.416 1.00 0.00 H new ATOM 0 HB3 GLU A 22 40.163 40.376 29.744 1.00 0.00 H new ATOM 0 HG2 GLU A 22 37.632 40.253 29.953 1.00 0.00 H new ATOM 0 HG3 GLU A 22 37.787 40.984 31.538 1.00 0.00 H new ATOM 369 N LEU A 23 41.333 38.706 32.978 1.00 0.00 N ATOM 370 CA LEU A 23 42.638 38.567 33.617 1.00 0.00 C ATOM 371 C LEU A 23 43.244 37.186 33.443 1.00 0.00 C ATOM 372 O LEU A 23 44.446 37.056 33.209 1.00 0.00 O ATOM 373 CB LEU A 23 42.529 38.895 35.108 1.00 0.00 C ATOM 374 CG LEU A 23 42.079 40.321 35.435 1.00 0.00 C ATOM 375 CD1 LEU A 23 41.905 40.499 36.936 1.00 0.00 C ATOM 376 CD2 LEU A 23 43.070 41.335 34.884 1.00 0.00 C ATOM 0 H LEU A 23 40.575 38.917 33.627 1.00 0.00 H new ATOM 0 HA LEU A 23 43.304 39.273 33.121 1.00 0.00 H new ATOM 0 HB2 LEU A 23 41.828 38.197 35.566 1.00 0.00 H new ATOM 0 HB3 LEU A 23 43.500 38.723 35.573 1.00 0.00 H new ATOM 0 HG LEU A 23 41.114 40.493 34.958 1.00 0.00 H new ATOM 0 HD11 LEU A 23 41.585 41.519 37.147 1.00 0.00 H new ATOM 0 HD12 LEU A 23 41.152 39.800 37.300 1.00 0.00 H new ATOM 0 HD13 LEU A 23 42.853 40.305 37.438 1.00 0.00 H new ATOM 0 HD21 LEU A 23 42.732 42.343 35.127 1.00 0.00 H new ATOM 0 HD22 LEU A 23 44.051 41.164 35.328 1.00 0.00 H new ATOM 0 HD23 LEU A 23 43.138 41.226 33.802 1.00 0.00 H new ATOM 388 N LYS A 24 42.434 36.145 33.549 1.00 0.00 N ATOM 389 CA LYS A 24 42.930 34.792 33.385 1.00 0.00 C ATOM 390 C LYS A 24 42.530 34.304 31.993 1.00 0.00 C ATOM 391 O LYS A 24 41.345 34.291 31.662 1.00 0.00 O ATOM 392 CB LYS A 24 42.341 33.866 34.451 1.00 0.00 C ATOM 393 CG LYS A 24 42.963 34.021 35.831 1.00 0.00 C ATOM 394 CD LYS A 24 42.385 33.033 36.830 1.00 0.00 C ATOM 395 CE LYS A 24 42.250 33.652 38.212 1.00 0.00 C ATOM 396 NZ LYS A 24 42.215 32.619 39.284 1.00 0.00 N1+ ATOM 0 H LYS A 24 41.436 36.212 33.747 1.00 0.00 H new ATOM 0 HA LYS A 24 44.014 34.783 33.496 1.00 0.00 H new ATOM 0 HB2 LYS A 24 41.270 34.053 34.526 1.00 0.00 H new ATOM 0 HB3 LYS A 24 42.462 32.833 34.125 1.00 0.00 H new ATOM 0 HG2 LYS A 24 44.041 33.877 35.761 1.00 0.00 H new ATOM 0 HG3 LYS A 24 42.800 35.037 36.190 1.00 0.00 H new ATOM 0 HD2 LYS A 24 41.408 32.695 36.485 1.00 0.00 H new ATOM 0 HD3 LYS A 24 43.026 32.153 36.885 1.00 0.00 H new ATOM 0 HE2 LYS A 24 43.085 34.330 38.389 1.00 0.00 H new ATOM 0 HE3 LYS A 24 41.339 34.250 38.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 42.122 33.083 40.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 41.404 31.987 39.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 43.095 32.065 39.261 1.00 0.00 H new ATOM 410 N SER A 25 43.487 33.911 31.178 1.00 0.00 N ATOM 411 CA SER A 25 43.181 33.422 29.846 1.00 0.00 C ATOM 412 C SER A 25 43.420 31.926 29.863 1.00 0.00 C ATOM 413 O SER A 25 44.510 31.465 30.202 1.00 0.00 O ATOM 414 CB SER A 25 44.072 34.096 28.802 1.00 0.00 C ATOM 415 OG SER A 25 43.892 35.501 28.810 1.00 0.00 O ATOM 0 H SER A 25 44.480 33.920 31.411 1.00 0.00 H new ATOM 0 HA SER A 25 42.149 33.650 29.579 1.00 0.00 H new ATOM 0 HB2 SER A 25 45.117 33.859 29.003 1.00 0.00 H new ATOM 0 HB3 SER A 25 43.840 33.702 27.812 1.00 0.00 H new ATOM 0 HG SER A 25 44.474 35.909 28.135 1.00 0.00 H new ATOM 421 N PHE A 26 42.397 31.167 29.497 1.00 0.00 N ATOM 422 CA PHE A 26 42.520 29.705 29.517 1.00 0.00 C ATOM 423 C PHE A 26 43.048 29.165 28.174 1.00 0.00 C ATOM 424 O PHE A 26 42.520 29.479 27.103 1.00 0.00 O ATOM 425 CB PHE A 26 41.165 29.069 29.888 1.00 0.00 C ATOM 426 CG PHE A 26 41.186 28.159 31.108 1.00 0.00 C ATOM 427 CD1 PHE A 26 41.838 26.911 31.061 1.00 0.00 C ATOM 428 CD2 PHE A 26 40.501 28.530 32.282 1.00 0.00 C ATOM 429 CE1 PHE A 26 41.782 26.039 32.165 1.00 0.00 C ATOM 430 CE2 PHE A 26 40.453 27.653 33.382 1.00 0.00 C ATOM 431 CZ PHE A 26 41.096 26.411 33.335 1.00 0.00 C ATOM 0 H PHE A 26 41.492 31.521 29.189 1.00 0.00 H new ATOM 0 HA PHE A 26 43.251 29.430 30.277 1.00 0.00 H new ATOM 0 HB2 PHE A 26 40.443 29.867 30.063 1.00 0.00 H new ATOM 0 HB3 PHE A 26 40.805 28.496 29.034 1.00 0.00 H new ATOM 0 HD1 PHE A 26 42.383 26.622 30.175 1.00 0.00 H new ATOM 0 HD2 PHE A 26 40.011 29.491 32.338 1.00 0.00 H new ATOM 0 HE1 PHE A 26 42.270 25.077 32.113 1.00 0.00 H new ATOM 0 HE2 PHE A 26 39.914 27.942 34.272 1.00 0.00 H new ATOM 0 HZ PHE A 26 41.066 25.747 34.186 1.00 0.00 H new ATOM 441 N THR A 27 44.070 28.305 28.225 1.00 0.00 N ATOM 442 CA THR A 27 44.602 27.606 27.045 1.00 0.00 C ATOM 443 C THR A 27 43.793 26.352 26.711 1.00 0.00 C ATOM 444 O THR A 27 43.330 25.634 27.606 1.00 0.00 O ATOM 445 CB THR A 27 46.084 27.226 27.213 1.00 0.00 C ATOM 446 OG1 THR A 27 46.274 26.334 28.290 1.00 0.00 O ATOM 447 CG2 THR A 27 46.974 28.442 27.460 1.00 0.00 C ATOM 0 H THR A 27 44.556 28.071 29.091 1.00 0.00 H new ATOM 0 HA THR A 27 44.516 28.312 26.219 1.00 0.00 H new ATOM 0 HB THR A 27 46.367 26.752 26.273 1.00 0.00 H new ATOM 0 HG1 THR A 27 47.225 26.112 28.367 1.00 0.00 H new ATOM 0 HG21 THR A 27 48.009 28.119 27.571 1.00 0.00 H new ATOM 0 HG22 THR A 27 46.897 29.127 26.616 1.00 0.00 H new ATOM 0 HG23 THR A 27 46.652 28.950 28.369 1.00 0.00 H new ATOM 455 N TYR A 28 43.690 26.018 25.420 1.00 0.00 N ATOM 456 CA TYR A 28 43.035 24.781 24.970 1.00 0.00 C ATOM 457 C TYR A 28 43.673 23.525 25.582 1.00 0.00 C ATOM 458 O TYR A 28 42.969 22.559 25.879 1.00 0.00 O ATOM 459 CB TYR A 28 43.084 24.679 23.441 1.00 0.00 C ATOM 460 CG TYR A 28 42.251 25.689 22.674 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.860 25.760 22.894 1.00 0.00 C ATOM 462 CD2 TYR A 28 42.848 26.504 21.692 1.00 0.00 C ATOM 463 CE1 TYR A 28 40.070 26.653 22.149 1.00 0.00 C ATOM 464 CE2 TYR A 28 42.058 27.392 20.936 1.00 0.00 C ATOM 465 CZ TYR A 28 40.669 27.478 21.177 1.00 0.00 C ATOM 466 OH TYR A 28 39.899 28.341 20.469 1.00 0.00 O ATOM 0 H TYR A 28 44.055 26.592 24.660 1.00 0.00 H new ATOM 0 HA TYR A 28 42.000 24.831 25.309 1.00 0.00 H new ATOM 0 HB2 TYR A 28 44.122 24.780 23.124 1.00 0.00 H new ATOM 0 HB3 TYR A 28 42.759 23.679 23.154 1.00 0.00 H new ATOM 0 HD1 TYR A 28 40.400 25.126 23.637 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.913 26.448 21.519 1.00 0.00 H new ATOM 0 HE1 TYR A 28 39.005 26.706 22.322 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.514 28.006 20.173 1.00 0.00 H new ATOM 0 HH TYR A 28 40.309 29.231 20.482 1.00 0.00 H new ATOM 476 N THR A 29 44.988 23.562 25.827 1.00 0.00 N ATOM 477 CA THR A 29 45.772 22.460 26.404 1.00 0.00 C ATOM 478 C THR A 29 45.254 22.059 27.788 1.00 0.00 C ATOM 479 O THR A 29 45.051 20.875 28.048 1.00 0.00 O ATOM 480 CB THR A 29 47.257 22.857 26.506 1.00 0.00 C ATOM 481 OG1 THR A 29 47.788 23.136 25.225 1.00 0.00 O ATOM 482 CG2 THR A 29 48.112 21.756 27.129 1.00 0.00 C ATOM 0 H THR A 29 45.555 24.385 25.623 1.00 0.00 H new ATOM 0 HA THR A 29 45.666 21.603 25.739 1.00 0.00 H new ATOM 0 HB THR A 29 47.289 23.741 27.143 1.00 0.00 H new ATOM 0 HG1 THR A 29 48.731 23.388 25.310 1.00 0.00 H new ATOM 0 HG21 THR A 29 49.150 22.085 27.178 1.00 0.00 H new ATOM 0 HG22 THR A 29 47.751 21.541 28.135 1.00 0.00 H new ATOM 0 HG23 THR A 29 48.046 20.855 26.519 1.00 0.00 H new ATOM 490 N LYS A 30 44.985 23.030 28.678 1.00 0.00 N ATOM 491 CA LYS A 30 44.409 22.739 30.002 1.00 0.00 C ATOM 492 C LYS A 30 42.902 22.465 29.926 1.00 0.00 C ATOM 493 O LYS A 30 42.424 21.563 30.614 1.00 0.00 O ATOM 494 CB LYS A 30 44.772 23.847 31.002 1.00 0.00 C ATOM 495 CG LYS A 30 44.449 23.384 32.435 1.00 0.00 C ATOM 496 CD LYS A 30 44.936 24.375 33.499 1.00 0.00 C ATOM 497 CE LYS A 30 44.392 23.950 34.869 1.00 0.00 C ATOM 498 NZ LYS A 30 45.027 24.691 35.980 1.00 0.00 N1+ ATOM 0 H LYS A 30 45.157 24.020 28.505 1.00 0.00 H new ATOM 0 HA LYS A 30 44.852 21.815 30.373 1.00 0.00 H new ATOM 0 HB2 LYS A 30 45.831 24.091 30.919 1.00 0.00 H new ATOM 0 HB3 LYS A 30 44.216 24.755 30.770 1.00 0.00 H new ATOM 0 HG2 LYS A 30 43.372 23.249 32.535 1.00 0.00 H new ATOM 0 HG3 LYS A 30 44.910 22.412 32.611 1.00 0.00 H new ATOM 0 HD2 LYS A 30 46.026 24.400 33.519 1.00 0.00 H new ATOM 0 HD3 LYS A 30 44.598 25.383 33.257 1.00 0.00 H new ATOM 0 HE2 LYS A 30 43.315 24.113 34.896 1.00 0.00 H new ATOM 0 HE3 LYS A 30 44.557 22.881 35.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 44.627 24.370 36.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 46.052 24.516 35.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 44.849 25.709 35.865 1.00 0.00 H new ATOM 512 N LEU A 31 42.166 23.187 29.069 1.00 0.00 N ATOM 513 CA LEU A 31 40.719 22.979 28.885 1.00 0.00 C ATOM 514 C LEU A 31 40.376 21.537 28.477 1.00 0.00 C ATOM 515 O LEU A 31 39.404 20.987 28.987 1.00 0.00 O ATOM 516 CB LEU A 31 40.152 23.940 27.823 1.00 0.00 C ATOM 517 CG LEU A 31 40.025 25.415 28.244 1.00 0.00 C ATOM 518 CD1 LEU A 31 39.622 26.262 27.036 1.00 0.00 C ATOM 519 CD2 LEU A 31 38.976 25.619 29.338 1.00 0.00 C ATOM 0 H LEU A 31 42.553 23.929 28.485 1.00 0.00 H new ATOM 0 HA LEU A 31 40.263 23.181 29.854 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.788 23.889 26.939 1.00 0.00 H new ATOM 0 HB3 LEU A 31 39.166 23.581 27.527 1.00 0.00 H new ATOM 0 HG LEU A 31 40.996 25.719 28.634 1.00 0.00 H new ATOM 0 HD11 LEU A 31 39.533 27.306 27.337 1.00 0.00 H new ATOM 0 HD12 LEU A 31 40.381 26.172 26.259 1.00 0.00 H new ATOM 0 HD13 LEU A 31 38.664 25.913 26.650 1.00 0.00 H new ATOM 0 HD21 LEU A 31 38.924 26.676 29.600 1.00 0.00 H new ATOM 0 HD22 LEU A 31 38.003 25.287 28.976 1.00 0.00 H new ATOM 0 HD23 LEU A 31 39.252 25.040 30.219 1.00 0.00 H new ATOM 531 N CYS A 32 41.175 20.921 27.598 1.00 0.00 N ATOM 532 CA CYS A 32 40.978 19.545 27.115 1.00 0.00 C ATOM 533 C CYS A 32 40.892 18.524 28.266 1.00 0.00 C ATOM 534 O CYS A 32 39.935 17.754 28.358 1.00 0.00 O ATOM 535 CB CYS A 32 42.132 19.226 26.146 1.00 0.00 C ATOM 536 SG CYS A 32 41.923 17.607 25.343 1.00 0.00 S ATOM 0 H CYS A 32 41.995 21.373 27.193 1.00 0.00 H new ATOM 0 HA CYS A 32 40.021 19.469 26.599 1.00 0.00 H new ATOM 0 HB2 CYS A 32 42.190 20.003 25.384 1.00 0.00 H new ATOM 0 HB3 CYS A 32 43.076 19.241 26.690 1.00 0.00 H new ATOM 0 HG CYS A 32 42.920 17.390 24.537 1.00 0.00 H new ATOM 542 N ASN A 33 41.860 18.555 29.192 1.00 0.00 N ATOM 543 CA ASN A 33 41.916 17.634 30.324 1.00 0.00 C ATOM 544 C ASN A 33 40.794 17.877 31.346 1.00 0.00 C ATOM 545 O ASN A 33 40.128 16.923 31.743 1.00 0.00 O ATOM 546 CB ASN A 33 43.313 17.723 30.969 1.00 0.00 C ATOM 547 CG ASN A 33 44.407 17.029 30.168 1.00 0.00 C ATOM 548 OD1 ASN A 33 44.184 16.455 29.114 1.00 0.00 O ATOM 549 ND2 ASN A 33 45.624 17.031 30.656 1.00 0.00 N ATOM 0 H ASN A 33 42.628 19.226 29.172 1.00 0.00 H new ATOM 0 HA ASN A 33 41.751 16.622 29.955 1.00 0.00 H new ATOM 0 HB2 ASN A 33 43.578 18.773 31.095 1.00 0.00 H new ATOM 0 HB3 ASN A 33 43.271 17.283 31.966 1.00 0.00 H new ATOM 0 HD21 ASN A 33 46.375 16.556 30.156 1.00 0.00 H new ATOM 0 HD22 ASN A 33 45.820 17.508 31.536 1.00 0.00 H new ATOM 556 N ILE A 34 40.558 19.127 31.769 1.00 0.00 N ATOM 557 CA ILE A 34 39.544 19.413 32.805 1.00 0.00 C ATOM 558 C ILE A 34 38.112 19.243 32.279 1.00 0.00 C ATOM 559 O ILE A 34 37.239 18.782 33.009 1.00 0.00 O ATOM 560 CB ILE A 34 39.758 20.797 33.463 1.00 0.00 C ATOM 561 CG1 ILE A 34 39.350 21.963 32.536 1.00 0.00 C ATOM 562 CG2 ILE A 34 41.207 20.929 33.967 1.00 0.00 C ATOM 563 CD1 ILE A 34 39.617 23.351 33.122 1.00 0.00 C ATOM 0 H ILE A 34 41.047 19.950 31.417 1.00 0.00 H new ATOM 0 HA ILE A 34 39.681 18.667 33.587 1.00 0.00 H new ATOM 0 HB ILE A 34 39.093 20.863 34.324 1.00 0.00 H new ATOM 0 HG12 ILE A 34 39.889 21.869 31.593 1.00 0.00 H new ATOM 0 HG13 ILE A 34 38.288 21.876 32.306 1.00 0.00 H new ATOM 0 HG21 ILE A 34 41.344 21.907 34.428 1.00 0.00 H new ATOM 0 HG22 ILE A 34 41.409 20.150 34.702 1.00 0.00 H new ATOM 0 HG23 ILE A 34 41.895 20.823 33.128 1.00 0.00 H new ATOM 0 HD11 ILE A 34 39.303 24.113 32.409 1.00 0.00 H new ATOM 0 HD12 ILE A 34 39.057 23.468 34.050 1.00 0.00 H new ATOM 0 HD13 ILE A 34 40.682 23.461 33.325 1.00 0.00 H new ATOM 575 N SER A 35 37.862 19.566 31.004 1.00 0.00 N ATOM 576 CA SER A 35 36.526 19.493 30.403 1.00 0.00 C ATOM 577 C SER A 35 36.136 18.085 29.927 1.00 0.00 C ATOM 578 O SER A 35 35.044 17.928 29.376 1.00 0.00 O ATOM 579 CB SER A 35 36.391 20.519 29.272 1.00 0.00 C ATOM 580 OG SER A 35 35.037 20.619 28.877 1.00 0.00 O ATOM 0 H SER A 35 38.584 19.886 30.359 1.00 0.00 H new ATOM 0 HA SER A 35 35.819 19.738 31.196 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.755 21.491 29.605 1.00 0.00 H new ATOM 0 HB3 SER A 35 37.006 20.221 28.423 1.00 0.00 H new ATOM 0 HG SER A 35 34.617 19.735 28.922 1.00 0.00 H new ATOM 586 N LYS A 36 36.996 17.069 30.115 1.00 0.00 N ATOM 587 CA LYS A 36 36.736 15.649 29.788 1.00 0.00 C ATOM 588 C LYS A 36 36.431 15.359 28.306 1.00 0.00 C ATOM 589 O LYS A 36 35.830 14.328 27.989 1.00 0.00 O ATOM 590 CB LYS A 36 35.653 15.098 30.742 1.00 0.00 C ATOM 591 CG LYS A 36 36.189 14.900 32.168 1.00 0.00 C ATOM 592 CD LYS A 36 35.039 14.626 33.147 1.00 0.00 C ATOM 593 CE LYS A 36 35.532 14.350 34.574 1.00 0.00 C ATOM 594 NZ LYS A 36 36.237 13.050 34.667 1.00 0.00 N1+ ATOM 0 H LYS A 36 37.924 17.215 30.512 1.00 0.00 H new ATOM 0 HA LYS A 36 37.672 15.113 29.948 1.00 0.00 H new ATOM 0 HB2 LYS A 36 34.807 15.785 30.765 1.00 0.00 H new ATOM 0 HB3 LYS A 36 35.282 14.147 30.359 1.00 0.00 H new ATOM 0 HG2 LYS A 36 36.893 14.068 32.185 1.00 0.00 H new ATOM 0 HG3 LYS A 36 36.737 15.788 32.482 1.00 0.00 H new ATOM 0 HD2 LYS A 36 34.365 15.482 33.159 1.00 0.00 H new ATOM 0 HD3 LYS A 36 34.462 13.771 32.794 1.00 0.00 H new ATOM 0 HE2 LYS A 36 36.201 15.151 34.889 1.00 0.00 H new ATOM 0 HE3 LYS A 36 34.684 14.355 35.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 36.481 12.858 35.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 35.619 12.294 34.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 37.106 13.085 34.097 1.00 0.00 H new ATOM 608 N LEU A 37 36.844 16.243 27.397 1.00 0.00 N ATOM 609 CA LEU A 37 36.553 16.195 25.971 1.00 0.00 C ATOM 610 C LEU A 37 37.696 16.812 25.154 1.00 0.00 C ATOM 611 O LEU A 37 38.381 17.721 25.616 1.00 0.00 O ATOM 612 CB LEU A 37 35.194 16.870 25.731 1.00 0.00 C ATOM 613 CG LEU A 37 35.069 18.362 26.114 1.00 0.00 C ATOM 614 CD1 LEU A 37 35.400 19.310 24.966 1.00 0.00 C ATOM 615 CD2 LEU A 37 33.629 18.709 26.496 1.00 0.00 C ATOM 0 H LEU A 37 37.417 17.048 27.651 1.00 0.00 H new ATOM 0 HA LEU A 37 36.482 15.163 25.628 1.00 0.00 H new ATOM 0 HB2 LEU A 37 34.950 16.771 24.673 1.00 0.00 H new ATOM 0 HB3 LEU A 37 34.438 16.314 26.286 1.00 0.00 H new ATOM 0 HG LEU A 37 35.773 18.490 26.936 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.292 20.341 25.303 1.00 0.00 H new ATOM 0 HD12 LEU A 37 36.426 19.141 24.638 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.719 19.127 24.135 1.00 0.00 H new ATOM 0 HD21 LEU A 37 33.567 19.764 26.761 1.00 0.00 H new ATOM 0 HD22 LEU A 37 32.970 18.508 25.651 1.00 0.00 H new ATOM 0 HD23 LEU A 37 33.322 18.102 27.348 1.00 0.00 H new ATOM 627 N SER A 38 37.901 16.302 23.940 1.00 0.00 N ATOM 628 CA SER A 38 39.088 16.573 23.118 1.00 0.00 C ATOM 629 C SER A 38 39.295 18.053 22.777 1.00 0.00 C ATOM 630 O SER A 38 38.336 18.815 22.651 1.00 0.00 O ATOM 631 CB SER A 38 39.004 15.774 21.815 1.00 0.00 C ATOM 632 OG SER A 38 38.738 14.412 22.096 1.00 0.00 O ATOM 0 H SER A 38 37.235 15.676 23.488 1.00 0.00 H new ATOM 0 HA SER A 38 39.943 16.269 23.722 1.00 0.00 H new ATOM 0 HB2 SER A 38 38.219 16.182 21.179 1.00 0.00 H new ATOM 0 HB3 SER A 38 39.940 15.864 21.263 1.00 0.00 H new ATOM 0 HG SER A 38 38.684 13.909 21.257 1.00 0.00 H new ATOM 638 N MET A 39 40.548 18.451 22.518 1.00 0.00 N ATOM 639 CA MET A 39 40.894 19.828 22.138 1.00 0.00 C ATOM 640 C MET A 39 40.102 20.314 20.910 1.00 0.00 C ATOM 641 O MET A 39 39.587 21.433 20.903 1.00 0.00 O ATOM 642 CB MET A 39 42.413 19.956 21.919 1.00 0.00 C ATOM 643 CG MET A 39 42.758 21.304 21.275 1.00 0.00 C ATOM 644 SD MET A 39 44.471 21.846 21.446 1.00 0.00 S ATOM 645 CE MET A 39 44.367 23.316 20.387 1.00 0.00 C ATOM 0 H MET A 39 41.352 17.826 22.566 1.00 0.00 H new ATOM 0 HA MET A 39 40.607 20.480 22.963 1.00 0.00 H new ATOM 0 HB2 MET A 39 42.932 19.860 22.873 1.00 0.00 H new ATOM 0 HB3 MET A 39 42.763 19.143 21.282 1.00 0.00 H new ATOM 0 HG2 MET A 39 42.519 21.249 20.213 1.00 0.00 H new ATOM 0 HG3 MET A 39 42.111 22.067 21.708 1.00 0.00 H new ATOM 0 HE1 MET A 39 45.228 23.959 20.571 1.00 0.00 H new ATOM 0 HE2 MET A 39 44.360 23.011 19.341 1.00 0.00 H new ATOM 0 HE3 MET A 39 43.451 23.862 20.612 1.00 0.00 H new ATOM 655 N SER A 40 39.948 19.459 19.897 1.00 0.00 N ATOM 656 CA SER A 40 39.131 19.755 18.716 1.00 0.00 C ATOM 657 C SER A 40 37.644 19.924 19.058 1.00 0.00 C ATOM 658 O SER A 40 36.965 20.734 18.432 1.00 0.00 O ATOM 659 CB SER A 40 39.323 18.651 17.671 1.00 0.00 C ATOM 660 OG SER A 40 40.706 18.492 17.411 1.00 0.00 O ATOM 0 H SER A 40 40.387 18.539 19.872 1.00 0.00 H new ATOM 0 HA SER A 40 39.467 20.709 18.309 1.00 0.00 H new ATOM 0 HB2 SER A 40 38.898 17.714 18.032 1.00 0.00 H new ATOM 0 HB3 SER A 40 38.795 18.907 16.752 1.00 0.00 H new ATOM 0 HG SER A 40 40.834 17.785 16.744 1.00 0.00 H new ATOM 666 N THR A 41 37.137 19.232 20.085 1.00 0.00 N ATOM 667 CA THR A 41 35.759 19.380 20.579 1.00 0.00 C ATOM 668 C THR A 41 35.564 20.705 21.320 1.00 0.00 C ATOM 669 O THR A 41 34.639 21.448 20.992 1.00 0.00 O ATOM 670 CB THR A 41 35.331 18.191 21.467 1.00 0.00 C ATOM 671 OG1 THR A 41 35.637 16.979 20.813 1.00 0.00 O ATOM 672 CG2 THR A 41 33.821 18.200 21.702 1.00 0.00 C ATOM 0 H THR A 41 37.679 18.542 20.606 1.00 0.00 H new ATOM 0 HA THR A 41 35.113 19.386 19.701 1.00 0.00 H new ATOM 0 HB THR A 41 35.861 18.280 22.415 1.00 0.00 H new ATOM 0 HG1 THR A 41 35.367 16.225 21.378 1.00 0.00 H new ATOM 0 HG21 THR A 41 33.545 17.353 22.330 1.00 0.00 H new ATOM 0 HG22 THR A 41 33.536 19.128 22.198 1.00 0.00 H new ATOM 0 HG23 THR A 41 33.303 18.126 20.746 1.00 0.00 H new ATOM 680 N VAL A 42 36.441 21.061 22.271 1.00 0.00 N ATOM 681 CA VAL A 42 36.312 22.324 23.032 1.00 0.00 C ATOM 682 C VAL A 42 36.474 23.562 22.147 1.00 0.00 C ATOM 683 O VAL A 42 35.778 24.559 22.356 1.00 0.00 O ATOM 684 CB VAL A 42 37.249 22.371 24.254 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.731 22.419 23.911 1.00 0.00 C ATOM 686 CG2 VAL A 42 36.933 23.572 25.151 1.00 0.00 C ATOM 0 H VAL A 42 37.248 20.496 22.535 1.00 0.00 H new ATOM 0 HA VAL A 42 35.291 22.342 23.413 1.00 0.00 H new ATOM 0 HB VAL A 42 37.058 21.431 24.772 1.00 0.00 H new ATOM 0 HG11 VAL A 42 39.316 22.450 24.830 1.00 0.00 H new ATOM 0 HG12 VAL A 42 39.001 21.531 23.339 1.00 0.00 H new ATOM 0 HG13 VAL A 42 38.939 23.310 23.318 1.00 0.00 H new ATOM 0 HG21 VAL A 42 37.611 23.577 26.004 1.00 0.00 H new ATOM 0 HG22 VAL A 42 37.058 24.494 24.583 1.00 0.00 H new ATOM 0 HG23 VAL A 42 35.905 23.501 25.505 1.00 0.00 H new ATOM 696 N ARG A 43 37.314 23.470 21.106 1.00 0.00 N ATOM 697 CA ARG A 43 37.416 24.482 20.042 1.00 0.00 C ATOM 698 C ARG A 43 36.051 24.809 19.420 1.00 0.00 C ATOM 699 O ARG A 43 35.762 25.990 19.248 1.00 0.00 O ATOM 700 CB ARG A 43 38.406 24.034 18.946 1.00 0.00 C ATOM 701 CG ARG A 43 39.834 24.586 19.127 1.00 0.00 C ATOM 702 CD ARG A 43 40.657 24.224 17.883 1.00 0.00 C ATOM 703 NE ARG A 43 41.937 24.956 17.760 1.00 0.00 N ATOM 704 CZ ARG A 43 42.580 25.160 16.616 1.00 0.00 C ATOM 705 NH1 ARG A 43 42.093 24.704 15.500 1.00 0.00 N ATOM 706 NH2 ARG A 43 43.693 25.829 16.601 1.00 0.00 N ATOM 0 H ARG A 43 37.949 22.682 20.977 1.00 0.00 H new ATOM 0 HA ARG A 43 37.793 25.392 20.509 1.00 0.00 H new ATOM 0 HB2 ARG A 43 38.448 22.945 18.932 1.00 0.00 H new ATOM 0 HB3 ARG A 43 38.025 24.351 17.975 1.00 0.00 H new ATOM 0 HG2 ARG A 43 39.808 25.667 19.262 1.00 0.00 H new ATOM 0 HG3 ARG A 43 40.293 24.164 20.021 1.00 0.00 H new ATOM 0 HD2 ARG A 43 40.865 23.154 17.899 1.00 0.00 H new ATOM 0 HD3 ARG A 43 40.055 24.418 16.995 1.00 0.00 H new ATOM 0 HE ARG A 43 42.354 25.330 18.612 1.00 0.00 H new ATOM 0 HH11 ARG A 43 41.214 24.187 15.501 1.00 0.00 H new ATOM 0 HH12 ARG A 43 42.590 24.863 14.624 1.00 0.00 H new ATOM 0 HH21 ARG A 43 44.077 26.200 17.470 1.00 0.00 H new ATOM 0 HH22 ARG A 43 44.183 25.983 15.720 1.00 0.00 H new ATOM 720 N ARG A 44 35.190 23.817 19.140 1.00 0.00 N ATOM 721 CA ARG A 44 33.851 24.051 18.547 1.00 0.00 C ATOM 722 C ARG A 44 32.970 24.928 19.437 1.00 0.00 C ATOM 723 O ARG A 44 32.373 25.897 18.967 1.00 0.00 O ATOM 724 CB ARG A 44 33.127 22.727 18.224 1.00 0.00 C ATOM 725 CG ARG A 44 33.918 21.842 17.250 1.00 0.00 C ATOM 726 CD ARG A 44 33.031 20.906 16.418 1.00 0.00 C ATOM 727 NE ARG A 44 32.885 19.536 16.945 1.00 0.00 N ATOM 728 CZ ARG A 44 32.416 18.514 16.243 1.00 0.00 C ATOM 729 NH1 ARG A 44 32.046 18.682 15.004 1.00 0.00 N ATOM 730 NH2 ARG A 44 32.334 17.336 16.778 1.00 0.00 N ATOM 0 H ARG A 44 35.395 22.833 19.315 1.00 0.00 H new ATOM 0 HA ARG A 44 34.023 24.586 17.613 1.00 0.00 H new ATOM 0 HB2 ARG A 44 32.954 22.177 19.149 1.00 0.00 H new ATOM 0 HB3 ARG A 44 32.149 22.947 17.796 1.00 0.00 H new ATOM 0 HG2 ARG A 44 34.493 22.479 16.577 1.00 0.00 H new ATOM 0 HG3 ARG A 44 34.635 21.245 17.814 1.00 0.00 H new ATOM 0 HD2 ARG A 44 32.040 21.352 16.334 1.00 0.00 H new ATOM 0 HD3 ARG A 44 33.440 20.847 15.409 1.00 0.00 H new ATOM 0 HE ARG A 44 33.163 19.364 17.911 1.00 0.00 H new ATOM 0 HH11 ARG A 44 32.117 19.603 14.571 1.00 0.00 H new ATOM 0 HH12 ARG A 44 31.686 17.893 14.468 1.00 0.00 H new ATOM 0 HH21 ARG A 44 32.631 17.192 17.743 1.00 0.00 H new ATOM 0 HH22 ARG A 44 31.972 16.553 16.234 1.00 0.00 H new ATOM 744 N SER A 45 32.922 24.628 20.731 1.00 0.00 N ATOM 745 CA SER A 45 32.114 25.392 21.688 1.00 0.00 C ATOM 746 C SER A 45 32.699 26.784 21.954 1.00 0.00 C ATOM 747 O SER A 45 31.962 27.764 21.907 1.00 0.00 O ATOM 748 CB SER A 45 31.948 24.606 22.986 1.00 0.00 C ATOM 749 OG SER A 45 31.485 23.298 22.712 1.00 0.00 O ATOM 0 H SER A 45 33.438 23.853 21.149 1.00 0.00 H new ATOM 0 HA SER A 45 31.130 25.545 21.244 1.00 0.00 H new ATOM 0 HB2 SER A 45 32.900 24.559 23.515 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.244 25.118 23.642 1.00 0.00 H new ATOM 0 HG SER A 45 31.384 22.804 23.552 1.00 0.00 H new ATOM 755 N ILE A 46 34.020 26.920 22.152 1.00 0.00 N ATOM 756 CA ILE A 46 34.682 28.244 22.221 1.00 0.00 C ATOM 757 C ILE A 46 34.444 29.080 20.947 1.00 0.00 C ATOM 758 O ILE A 46 34.153 30.268 21.067 1.00 0.00 O ATOM 759 CB ILE A 46 36.188 28.089 22.567 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.403 27.877 24.087 1.00 0.00 C ATOM 761 CG2 ILE A 46 37.078 29.246 22.074 1.00 0.00 C ATOM 762 CD1 ILE A 46 36.211 29.094 24.997 1.00 0.00 C ATOM 0 H ILE A 46 34.656 26.131 22.268 1.00 0.00 H new ATOM 0 HA ILE A 46 34.222 28.807 23.033 1.00 0.00 H new ATOM 0 HB ILE A 46 36.504 27.200 22.021 1.00 0.00 H new ATOM 0 HG12 ILE A 46 35.720 27.096 24.419 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.415 27.500 24.236 1.00 0.00 H new ATOM 0 HG21 ILE A 46 38.113 29.056 22.359 1.00 0.00 H new ATOM 0 HG22 ILE A 46 37.008 29.322 20.989 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.744 30.180 22.525 1.00 0.00 H new ATOM 0 HD11 ILE A 46 36.392 28.806 26.033 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.913 29.877 24.710 1.00 0.00 H new ATOM 0 HD13 ILE A 46 35.191 29.466 24.897 1.00 0.00 H new ATOM 774 N LYS A 47 34.467 28.482 19.744 1.00 0.00 N ATOM 775 CA LYS A 47 34.196 29.173 18.466 1.00 0.00 C ATOM 776 C LYS A 47 32.788 29.770 18.456 1.00 0.00 C ATOM 777 O LYS A 47 32.622 30.947 18.145 1.00 0.00 O ATOM 778 CB LYS A 47 34.410 28.180 17.304 1.00 0.00 C ATOM 779 CG LYS A 47 34.041 28.699 15.904 1.00 0.00 C ATOM 780 CD LYS A 47 35.023 29.746 15.366 1.00 0.00 C ATOM 781 CE LYS A 47 34.626 30.120 13.935 1.00 0.00 C ATOM 782 NZ LYS A 47 33.694 31.270 13.889 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.677 27.491 19.627 1.00 0.00 H new ATOM 0 HA LYS A 47 34.888 30.006 18.344 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.458 27.880 17.295 1.00 0.00 H new ATOM 0 HB3 LYS A 47 33.824 27.283 17.505 1.00 0.00 H new ATOM 0 HG2 LYS A 47 34.002 27.858 15.211 1.00 0.00 H new ATOM 0 HG3 LYS A 47 33.041 29.132 15.937 1.00 0.00 H new ATOM 0 HD2 LYS A 47 35.014 30.631 16.002 1.00 0.00 H new ATOM 0 HD3 LYS A 47 36.039 29.352 15.383 1.00 0.00 H new ATOM 0 HE2 LYS A 47 35.523 30.360 13.363 1.00 0.00 H new ATOM 0 HE3 LYS A 47 34.161 29.260 13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 33.601 31.603 12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.762 30.976 14.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 34.064 32.040 14.482 1.00 0.00 H new ATOM 796 N LYS A 48 31.792 28.987 18.878 1.00 0.00 N ATOM 797 CA LYS A 48 30.422 29.463 19.116 1.00 0.00 C ATOM 798 C LYS A 48 30.359 30.564 20.185 1.00 0.00 C ATOM 799 O LYS A 48 29.668 31.558 19.982 1.00 0.00 O ATOM 800 CB LYS A 48 29.538 28.261 19.491 1.00 0.00 C ATOM 801 CG LYS A 48 28.823 27.678 18.259 1.00 0.00 C ATOM 802 CD LYS A 48 27.853 26.564 18.679 1.00 0.00 C ATOM 803 CE LYS A 48 26.774 26.278 17.628 1.00 0.00 C ATOM 804 NZ LYS A 48 27.261 25.519 16.451 1.00 0.00 N1+ ATOM 0 H LYS A 48 31.913 27.992 19.067 1.00 0.00 H new ATOM 0 HA LYS A 48 30.049 29.920 18.200 1.00 0.00 H new ATOM 0 HB2 LYS A 48 30.151 27.489 19.956 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.798 28.569 20.230 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.278 28.467 17.740 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.558 27.283 17.557 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.418 25.651 18.869 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.373 26.843 19.617 1.00 0.00 H new ATOM 0 HE2 LYS A 48 25.964 25.719 18.097 1.00 0.00 H new ATOM 0 HE3 LYS A 48 26.353 27.224 17.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 26.475 25.366 15.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.014 26.058 15.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 27.636 24.600 16.761 1.00 0.00 H new ATOM 818 N PHE A 49 31.099 30.452 21.290 1.00 0.00 N ATOM 819 CA PHE A 49 31.079 31.470 22.347 1.00 0.00 C ATOM 820 C PHE A 49 31.794 32.791 22.020 1.00 0.00 C ATOM 821 O PHE A 49 31.476 33.797 22.661 1.00 0.00 O ATOM 822 CB PHE A 49 31.489 30.887 23.703 1.00 0.00 C ATOM 823 CG PHE A 49 30.485 29.902 24.271 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.133 30.280 24.409 1.00 0.00 C ATOM 825 CD2 PHE A 49 30.888 28.610 24.657 1.00 0.00 C ATOM 826 CE1 PHE A 49 28.186 29.364 24.891 1.00 0.00 C ATOM 827 CE2 PHE A 49 29.939 27.692 25.135 1.00 0.00 C ATOM 828 CZ PHE A 49 28.590 28.069 25.245 1.00 0.00 C ATOM 0 H PHE A 49 31.721 29.666 21.478 1.00 0.00 H new ATOM 0 HA PHE A 49 30.034 31.771 22.414 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.453 30.390 23.598 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.626 31.703 24.413 1.00 0.00 H new ATOM 0 HD1 PHE A 49 28.825 31.280 24.142 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.927 28.325 24.586 1.00 0.00 H new ATOM 0 HE1 PHE A 49 27.151 29.655 24.989 1.00 0.00 H new ATOM 0 HE2 PHE A 49 30.246 26.696 25.418 1.00 0.00 H new ATOM 0 HZ PHE A 49 27.861 27.358 25.604 1.00 0.00 H new ATOM 838 N LEU A 50 32.682 32.827 21.018 1.00 0.00 N ATOM 839 CA LEU A 50 33.150 34.084 20.416 1.00 0.00 C ATOM 840 C LEU A 50 31.971 34.835 19.788 1.00 0.00 C ATOM 841 O LEU A 50 31.775 36.025 20.019 1.00 0.00 O ATOM 842 CB LEU A 50 34.216 33.823 19.340 1.00 0.00 C ATOM 843 CG LEU A 50 35.545 33.262 19.863 1.00 0.00 C ATOM 844 CD1 LEU A 50 36.406 32.877 18.668 1.00 0.00 C ATOM 845 CD2 LEU A 50 36.324 34.281 20.690 1.00 0.00 C ATOM 0 H LEU A 50 33.095 31.991 20.603 1.00 0.00 H new ATOM 0 HA LEU A 50 33.595 34.688 21.207 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.808 33.126 18.608 1.00 0.00 H new ATOM 0 HB3 LEU A 50 34.415 34.757 18.814 1.00 0.00 H new ATOM 0 HG LEU A 50 35.316 32.409 20.501 1.00 0.00 H new ATOM 0 HD11 LEU A 50 37.357 32.475 19.019 1.00 0.00 H new ATOM 0 HD12 LEU A 50 35.889 32.122 18.076 1.00 0.00 H new ATOM 0 HD13 LEU A 50 36.589 33.758 18.053 1.00 0.00 H new ATOM 0 HD21 LEU A 50 37.256 33.833 21.036 1.00 0.00 H new ATOM 0 HD22 LEU A 50 36.547 35.154 20.076 1.00 0.00 H new ATOM 0 HD23 LEU A 50 35.727 34.585 21.550 1.00 0.00 H new ATOM 857 N GLU A 51 31.150 34.127 19.014 1.00 0.00 N ATOM 858 CA GLU A 51 29.988 34.687 18.316 1.00 0.00 C ATOM 859 C GLU A 51 28.857 35.061 19.293 1.00 0.00 C ATOM 860 O GLU A 51 28.204 36.087 19.108 1.00 0.00 O ATOM 861 CB GLU A 51 29.517 33.700 17.234 1.00 0.00 C ATOM 862 CG GLU A 51 30.614 33.415 16.188 1.00 0.00 C ATOM 863 CD GLU A 51 30.274 32.209 15.310 1.00 0.00 C ATOM 864 OE1 GLU A 51 29.098 32.036 14.919 1.00 0.00 O ATOM 865 OE2 GLU A 51 31.185 31.431 14.939 1.00 0.00 O ATOM 0 H GLU A 51 31.274 33.128 18.850 1.00 0.00 H new ATOM 0 HA GLU A 51 30.284 35.617 17.831 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.215 32.765 17.705 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.637 34.104 16.734 1.00 0.00 H new ATOM 0 HG2 GLU A 51 30.751 34.294 15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.561 33.237 16.697 1.00 0.00 H new ATOM 872 N LEU A 52 28.686 34.298 20.378 1.00 0.00 N ATOM 873 CA LEU A 52 27.816 34.630 21.521 1.00 0.00 C ATOM 874 C LEU A 52 28.364 35.751 22.433 1.00 0.00 C ATOM 875 O LEU A 52 27.695 36.122 23.390 1.00 0.00 O ATOM 876 CB LEU A 52 27.497 33.351 22.317 1.00 0.00 C ATOM 877 CG LEU A 52 26.179 32.683 21.890 1.00 0.00 C ATOM 878 CD1 LEU A 52 26.147 32.269 20.415 1.00 0.00 C ATOM 879 CD2 LEU A 52 25.962 31.426 22.724 1.00 0.00 C ATOM 0 H LEU A 52 29.162 33.403 20.492 1.00 0.00 H new ATOM 0 HA LEU A 52 26.896 35.042 21.107 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.314 32.640 22.192 1.00 0.00 H new ATOM 0 HB3 LEU A 52 27.446 33.595 23.378 1.00 0.00 H new ATOM 0 HG LEU A 52 25.398 33.427 22.045 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.187 31.805 20.188 1.00 0.00 H new ATOM 0 HD12 LEU A 52 26.282 33.150 19.787 1.00 0.00 H new ATOM 0 HD13 LEU A 52 26.949 31.557 20.219 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.029 30.948 22.426 1.00 0.00 H new ATOM 0 HD22 LEU A 52 26.790 30.736 22.564 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.911 31.694 23.779 1.00 0.00 H new ATOM 891 N GLN A 53 29.538 36.329 22.143 1.00 0.00 N ATOM 892 CA GLN A 53 30.130 37.462 22.881 1.00 0.00 C ATOM 893 C GLN A 53 30.514 37.156 24.352 1.00 0.00 C ATOM 894 O GLN A 53 30.665 38.074 25.167 1.00 0.00 O ATOM 895 CB GLN A 53 29.238 38.723 22.771 1.00 0.00 C ATOM 896 CG GLN A 53 28.531 38.959 21.426 1.00 0.00 C ATOM 897 CD GLN A 53 27.844 40.322 21.407 1.00 0.00 C ATOM 898 OE1 GLN A 53 28.484 41.360 21.287 1.00 0.00 O ATOM 899 NE2 GLN A 53 26.539 40.397 21.554 1.00 0.00 N ATOM 0 H GLN A 53 30.121 36.015 21.367 1.00 0.00 H new ATOM 0 HA GLN A 53 31.082 37.659 22.388 1.00 0.00 H new ATOM 0 HB2 GLN A 53 28.477 38.669 23.550 1.00 0.00 H new ATOM 0 HB3 GLN A 53 29.855 39.595 22.988 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.256 38.901 20.614 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.795 38.173 21.254 1.00 0.00 H new ATOM 0 HE21 GLN A 53 25.987 39.545 21.655 1.00 0.00 H new ATOM 0 HE22 GLN A 53 26.079 41.307 21.566 1.00 0.00 H new ATOM 908 N TYR A 54 30.644 35.876 24.723 1.00 0.00 N ATOM 909 CA TYR A 54 30.894 35.431 26.108 1.00 0.00 C ATOM 910 C TYR A 54 32.339 35.020 26.371 1.00 0.00 C ATOM 911 O TYR A 54 32.807 35.126 27.505 1.00 0.00 O ATOM 912 CB TYR A 54 29.932 34.290 26.466 1.00 0.00 C ATOM 913 CG TYR A 54 28.457 34.631 26.356 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.998 35.941 26.594 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.541 33.624 26.005 1.00 0.00 C ATOM 916 CE1 TYR A 54 26.638 36.257 26.441 1.00 0.00 C ATOM 917 CE2 TYR A 54 26.176 33.939 25.827 1.00 0.00 C ATOM 918 CZ TYR A 54 25.730 35.267 26.014 1.00 0.00 C ATOM 919 OH TYR A 54 24.428 35.603 25.813 1.00 0.00 O ATOM 0 H TYR A 54 30.578 35.103 24.060 1.00 0.00 H new ATOM 0 HA TYR A 54 30.711 36.291 26.752 1.00 0.00 H new ATOM 0 HB2 TYR A 54 30.142 33.441 25.815 1.00 0.00 H new ATOM 0 HB3 TYR A 54 30.139 33.968 27.487 1.00 0.00 H new ATOM 0 HD1 TYR A 54 28.696 36.708 26.896 1.00 0.00 H new ATOM 0 HD2 TYR A 54 27.882 32.608 25.871 1.00 0.00 H new ATOM 0 HE1 TYR A 54 26.288 37.257 26.650 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.474 33.167 25.549 1.00 0.00 H new ATOM 0 HH TYR A 54 23.928 34.813 25.519 1.00 0.00 H new ATOM 929 N VAL A 55 33.064 34.603 25.333 1.00 0.00 N ATOM 930 CA VAL A 55 34.519 34.429 25.390 1.00 0.00 C ATOM 931 C VAL A 55 35.186 35.349 24.366 1.00 0.00 C ATOM 932 O VAL A 55 34.550 35.765 23.396 1.00 0.00 O ATOM 933 CB VAL A 55 34.951 32.951 25.274 1.00 0.00 C ATOM 934 CG1 VAL A 55 34.172 32.043 26.228 1.00 0.00 C ATOM 935 CG2 VAL A 55 34.871 32.420 23.844 1.00 0.00 C ATOM 0 H VAL A 55 32.659 34.375 24.425 1.00 0.00 H new ATOM 0 HA VAL A 55 34.868 34.728 26.378 1.00 0.00 H new ATOM 0 HB VAL A 55 36.000 32.931 25.570 1.00 0.00 H new ATOM 0 HG11 VAL A 55 34.511 31.014 26.109 1.00 0.00 H new ATOM 0 HG12 VAL A 55 34.341 32.365 27.256 1.00 0.00 H new ATOM 0 HG13 VAL A 55 33.108 32.103 26.000 1.00 0.00 H new ATOM 0 HG21 VAL A 55 35.187 31.377 23.825 1.00 0.00 H new ATOM 0 HG22 VAL A 55 33.845 32.495 23.485 1.00 0.00 H new ATOM 0 HG23 VAL A 55 35.525 33.009 23.200 1.00 0.00 H new ATOM 945 N LYS A 56 36.457 35.688 24.585 1.00 0.00 N ATOM 946 CA LYS A 56 37.261 36.542 23.701 1.00 0.00 C ATOM 947 C LYS A 56 38.458 35.785 23.139 1.00 0.00 C ATOM 948 O LYS A 56 39.014 34.906 23.794 1.00 0.00 O ATOM 949 CB LYS A 56 37.723 37.789 24.472 1.00 0.00 C ATOM 950 CG LYS A 56 37.974 39.021 23.586 1.00 0.00 C ATOM 951 CD LYS A 56 36.851 39.241 22.563 1.00 0.00 C ATOM 952 CE LYS A 56 36.732 40.731 22.224 1.00 0.00 C ATOM 953 NZ LYS A 56 35.641 40.947 21.250 1.00 0.00 N1+ ATOM 0 H LYS A 56 36.973 35.368 25.405 1.00 0.00 H new ATOM 0 HA LYS A 56 36.642 36.849 22.858 1.00 0.00 H new ATOM 0 HB2 LYS A 56 36.970 38.040 25.219 1.00 0.00 H new ATOM 0 HB3 LYS A 56 38.640 37.550 25.011 1.00 0.00 H new ATOM 0 HG2 LYS A 56 38.067 39.906 24.216 1.00 0.00 H new ATOM 0 HG3 LYS A 56 38.922 38.902 23.062 1.00 0.00 H new ATOM 0 HD2 LYS A 56 37.056 38.669 21.658 1.00 0.00 H new ATOM 0 HD3 LYS A 56 35.906 38.875 22.964 1.00 0.00 H new ATOM 0 HE2 LYS A 56 36.538 41.304 23.131 1.00 0.00 H new ATOM 0 HE3 LYS A 56 37.674 41.094 21.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 35.570 41.960 21.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.842 40.415 20.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 34.742 40.618 21.657 1.00 0.00 H new ATOM 967 N GLU A 57 38.764 36.087 21.880 1.00 0.00 N ATOM 968 CA GLU A 57 39.868 35.477 21.149 1.00 0.00 C ATOM 969 C GLU A 57 41.214 36.149 21.442 1.00 0.00 C ATOM 970 O GLU A 57 41.266 37.310 21.848 1.00 0.00 O ATOM 971 CB GLU A 57 39.574 35.527 19.645 1.00 0.00 C ATOM 972 CG GLU A 57 40.503 34.682 18.786 1.00 0.00 C ATOM 973 CD GLU A 57 40.018 34.553 17.355 1.00 0.00 C ATOM 974 OE1 GLU A 57 38.962 35.135 17.029 1.00 0.00 O ATOM 975 OE2 GLU A 57 40.693 33.870 16.557 1.00 0.00 O ATOM 0 H GLU A 57 38.244 36.772 21.332 1.00 0.00 H new ATOM 0 HA GLU A 57 39.950 34.443 21.484 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.548 35.198 19.478 1.00 0.00 H new ATOM 0 HB3 GLU A 57 39.635 36.563 19.311 1.00 0.00 H new ATOM 0 HG2 GLU A 57 41.499 35.126 18.790 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.595 33.689 19.225 1.00 0.00 H new ATOM 1076 N LYS A 65 48.479 31.321 21.723 1.00 0.00 N ATOM 1077 CA LYS A 65 47.255 32.111 21.883 1.00 0.00 C ATOM 1078 C LYS A 65 46.287 31.441 22.853 1.00 0.00 C ATOM 1079 O LYS A 65 46.345 30.234 23.093 1.00 0.00 O ATOM 1080 CB LYS A 65 46.623 32.356 20.504 1.00 0.00 C ATOM 1081 CG LYS A 65 46.408 31.042 19.734 1.00 0.00 C ATOM 1082 CD LYS A 65 45.461 31.188 18.529 1.00 0.00 C ATOM 1083 CE LYS A 65 45.392 29.980 17.583 1.00 0.00 C ATOM 1084 NZ LYS A 65 44.171 29.927 16.750 1.00 0.00 N1+ ATOM 0 HA LYS A 65 47.504 33.078 22.321 1.00 0.00 H new ATOM 0 HB2 LYS A 65 45.668 32.866 20.627 1.00 0.00 H new ATOM 0 HB3 LYS A 65 47.265 33.018 19.922 1.00 0.00 H new ATOM 0 HG2 LYS A 65 47.372 30.671 19.386 1.00 0.00 H new ATOM 0 HG3 LYS A 65 46.005 30.292 20.415 1.00 0.00 H new ATOM 0 HD2 LYS A 65 44.457 31.391 18.902 1.00 0.00 H new ATOM 0 HD3 LYS A 65 45.769 32.060 17.952 1.00 0.00 H new ATOM 0 HE2 LYS A 65 46.264 29.996 16.929 1.00 0.00 H new ATOM 0 HE3 LYS A 65 45.454 29.066 18.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 44.202 29.084 16.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 43.333 29.880 17.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 44.118 30.780 16.157 1.00 0.00 H new ATOM 1098 N THR A 66 45.390 32.240 23.410 1.00 0.00 N ATOM 1099 CA THR A 66 44.597 31.875 24.584 1.00 0.00 C ATOM 1100 C THR A 66 43.310 32.708 24.649 1.00 0.00 C ATOM 1101 O THR A 66 43.197 33.711 23.935 1.00 0.00 O ATOM 1102 CB THR A 66 45.498 31.992 25.818 1.00 0.00 C ATOM 1103 OG1 THR A 66 44.787 31.596 26.956 1.00 0.00 O ATOM 1104 CG2 THR A 66 46.088 33.385 26.050 1.00 0.00 C ATOM 0 H THR A 66 45.186 33.175 23.057 1.00 0.00 H new ATOM 0 HA THR A 66 44.251 30.843 24.530 1.00 0.00 H new ATOM 0 HB THR A 66 46.346 31.335 25.627 1.00 0.00 H new ATOM 0 HG1 THR A 66 45.364 31.670 27.744 1.00 0.00 H new ATOM 0 HG21 THR A 66 46.711 33.372 26.944 1.00 0.00 H new ATOM 0 HG22 THR A 66 46.694 33.671 25.190 1.00 0.00 H new ATOM 0 HG23 THR A 66 45.280 34.105 26.181 1.00 0.00 H new ATOM 1112 N PHE A 67 42.315 32.247 25.413 1.00 0.00 N ATOM 1113 CA PHE A 67 40.924 32.713 25.337 1.00 0.00 C ATOM 1114 C PHE A 67 40.371 33.003 26.740 1.00 0.00 C ATOM 1115 O PHE A 67 40.555 32.202 27.655 1.00 0.00 O ATOM 1116 CB PHE A 67 40.068 31.678 24.572 1.00 0.00 C ATOM 1117 CG PHE A 67 40.467 31.471 23.114 1.00 0.00 C ATOM 1118 CD1 PHE A 67 41.615 30.723 22.779 1.00 0.00 C ATOM 1119 CD2 PHE A 67 39.698 32.041 22.081 1.00 0.00 C ATOM 1120 CE1 PHE A 67 42.040 30.625 21.442 1.00 0.00 C ATOM 1121 CE2 PHE A 67 40.087 31.886 20.737 1.00 0.00 C ATOM 1122 CZ PHE A 67 41.272 31.202 20.416 1.00 0.00 C ATOM 0 H PHE A 67 42.456 31.523 26.118 1.00 0.00 H new ATOM 0 HA PHE A 67 40.885 33.651 24.784 1.00 0.00 H new ATOM 0 HB2 PHE A 67 40.130 30.721 25.091 1.00 0.00 H new ATOM 0 HB3 PHE A 67 39.025 31.992 24.608 1.00 0.00 H new ATOM 0 HD1 PHE A 67 42.172 30.221 23.556 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.806 32.600 22.321 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.957 30.106 21.204 1.00 0.00 H new ATOM 0 HE2 PHE A 67 39.472 32.295 19.949 1.00 0.00 H new ATOM 0 HZ PHE A 67 41.591 31.120 19.387 1.00 0.00 H new ATOM 1132 N TYR A 68 39.706 34.146 26.930 1.00 0.00 N ATOM 1133 CA TYR A 68 39.228 34.605 28.248 1.00 0.00 C ATOM 1134 C TYR A 68 37.713 34.829 28.281 1.00 0.00 C ATOM 1135 O TYR A 68 37.080 34.918 27.229 1.00 0.00 O ATOM 1136 CB TYR A 68 40.010 35.853 28.682 1.00 0.00 C ATOM 1137 CG TYR A 68 39.969 37.056 27.752 1.00 0.00 C ATOM 1138 CD1 TYR A 68 38.935 37.981 27.837 1.00 0.00 C ATOM 1139 CD2 TYR A 68 41.084 37.360 26.964 1.00 0.00 C ATOM 1140 CE1 TYR A 68 38.991 39.157 27.101 1.00 0.00 C ATOM 1141 CE2 TYR A 68 41.151 38.552 26.230 1.00 0.00 C ATOM 1142 CZ TYR A 68 40.082 39.429 26.283 1.00 0.00 C ATOM 1143 OH TYR A 68 40.081 40.568 25.525 1.00 0.00 O ATOM 0 H TYR A 68 39.480 34.788 26.170 1.00 0.00 H new ATOM 0 HA TYR A 68 39.419 33.811 28.970 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.634 36.166 29.656 1.00 0.00 H new ATOM 0 HB3 TYR A 68 41.053 35.568 28.820 1.00 0.00 H new ATOM 0 HD1 TYR A 68 38.087 37.785 28.476 1.00 0.00 H new ATOM 0 HD2 TYR A 68 41.908 36.663 26.920 1.00 0.00 H new ATOM 0 HE1 TYR A 68 38.180 39.867 27.164 1.00 0.00 H new ATOM 0 HE2 TYR A 68 42.022 38.782 25.634 1.00 0.00 H new ATOM 0 HH TYR A 68 40.912 40.618 25.008 1.00 0.00 H new ATOM 1153 N ILE A 69 37.122 34.930 29.477 1.00 0.00 N ATOM 1154 CA ILE A 69 35.677 35.158 29.649 1.00 0.00 C ATOM 1155 C ILE A 69 35.379 36.653 29.786 1.00 0.00 C ATOM 1156 O ILE A 69 35.972 37.332 30.625 1.00 0.00 O ATOM 1157 CB ILE A 69 35.103 34.359 30.838 1.00 0.00 C ATOM 1158 CG1 ILE A 69 35.627 32.906 30.893 1.00 0.00 C ATOM 1159 CG2 ILE A 69 33.564 34.374 30.774 1.00 0.00 C ATOM 1160 CD1 ILE A 69 35.407 32.102 29.603 1.00 0.00 C ATOM 0 H ILE A 69 37.631 34.856 30.358 1.00 0.00 H new ATOM 0 HA ILE A 69 35.177 34.791 28.753 1.00 0.00 H new ATOM 0 HB ILE A 69 35.442 34.845 31.753 1.00 0.00 H new ATOM 0 HG12 ILE A 69 36.694 32.926 31.117 1.00 0.00 H new ATOM 0 HG13 ILE A 69 35.138 32.387 31.718 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.159 33.809 31.614 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.208 35.403 30.823 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.234 33.920 29.839 1.00 0.00 H new ATOM 0 HD11 ILE A 69 35.804 31.095 29.730 1.00 0.00 H new ATOM 0 HD12 ILE A 69 34.340 32.047 29.386 1.00 0.00 H new ATOM 0 HD13 ILE A 69 35.920 32.593 28.776 1.00 0.00 H new ATOM 1172 N THR A 70 34.483 37.182 28.954 1.00 0.00 N ATOM 1173 CA THR A 70 34.140 38.603 28.943 1.00 0.00 C ATOM 1174 C THR A 70 33.202 38.957 30.116 1.00 0.00 C ATOM 1175 O THR A 70 32.481 38.081 30.611 1.00 0.00 O ATOM 1176 CB THR A 70 33.437 38.945 27.612 1.00 0.00 C ATOM 1177 OG1 THR A 70 32.149 38.363 27.566 1.00 0.00 O ATOM 1178 CG2 THR A 70 34.217 38.522 26.365 1.00 0.00 C ATOM 0 H THR A 70 33.971 36.632 28.264 1.00 0.00 H new ATOM 0 HA THR A 70 35.058 39.181 29.048 1.00 0.00 H new ATOM 0 HB THR A 70 33.372 40.033 27.594 1.00 0.00 H new ATOM 0 HG1 THR A 70 31.822 38.365 26.642 1.00 0.00 H new ATOM 0 HG21 THR A 70 33.655 38.798 25.473 1.00 0.00 H new ATOM 0 HG22 THR A 70 35.185 39.023 26.354 1.00 0.00 H new ATOM 0 HG23 THR A 70 34.368 37.443 26.379 1.00 0.00 H new ATOM 1186 N PRO A 71 33.094 40.240 30.527 1.00 0.00 N ATOM 1187 CA PRO A 71 32.073 40.669 31.494 1.00 0.00 C ATOM 1188 C PRO A 71 30.652 40.323 31.022 1.00 0.00 C ATOM 1189 O PRO A 71 29.819 39.923 31.830 1.00 0.00 O ATOM 1190 CB PRO A 71 32.269 42.181 31.651 1.00 0.00 C ATOM 1191 CG PRO A 71 32.894 42.586 30.316 1.00 0.00 C ATOM 1192 CD PRO A 71 33.820 41.405 30.034 1.00 0.00 C ATOM 0 HA PRO A 71 32.186 40.151 32.446 1.00 0.00 H new ATOM 0 HB2 PRO A 71 31.324 42.695 31.827 1.00 0.00 H new ATOM 0 HB3 PRO A 71 32.922 42.419 32.491 1.00 0.00 H new ATOM 0 HG2 PRO A 71 32.144 42.713 29.535 1.00 0.00 H new ATOM 0 HG3 PRO A 71 33.441 43.526 30.389 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.035 41.316 28.969 1.00 0.00 H new ATOM 0 HD3 PRO A 71 34.776 41.521 30.544 1.00 0.00 H new ATOM 1200 N ASN A 72 30.391 40.393 29.709 1.00 0.00 N ATOM 1201 CA ASN A 72 29.095 40.047 29.126 1.00 0.00 C ATOM 1202 C ASN A 72 28.724 38.565 29.347 1.00 0.00 C ATOM 1203 O ASN A 72 27.562 38.252 29.583 1.00 0.00 O ATOM 1204 CB ASN A 72 29.130 40.392 27.628 1.00 0.00 C ATOM 1205 CG ASN A 72 27.770 40.238 26.979 1.00 0.00 C ATOM 1206 OD1 ASN A 72 26.776 40.799 27.414 1.00 0.00 O ATOM 1207 ND2 ASN A 72 27.684 39.479 25.915 1.00 0.00 N ATOM 0 H ASN A 72 31.081 40.694 29.020 1.00 0.00 H new ATOM 0 HA ASN A 72 28.320 40.626 29.628 1.00 0.00 H new ATOM 0 HB2 ASN A 72 29.479 41.417 27.500 1.00 0.00 H new ATOM 0 HB3 ASN A 72 29.848 39.745 27.124 1.00 0.00 H new ATOM 0 HD21 ASN A 72 26.786 39.355 25.448 1.00 0.00 H new ATOM 0 HD22 ASN A 72 28.515 39.012 25.553 1.00 0.00 H new ATOM 1214 N GLY A 73 29.705 37.654 29.295 1.00 0.00 N ATOM 1215 CA GLY A 73 29.502 36.243 29.638 1.00 0.00 C ATOM 1216 C GLY A 73 29.333 36.020 31.138 1.00 0.00 C ATOM 1217 O GLY A 73 28.469 35.247 31.542 1.00 0.00 O ATOM 0 H GLY A 73 30.660 37.876 29.014 1.00 0.00 H new ATOM 0 HA2 GLY A 73 28.620 35.870 29.118 1.00 0.00 H new ATOM 0 HA3 GLY A 73 30.352 35.661 29.282 1.00 0.00 H new ATOM 1221 N ILE A 74 30.094 36.735 31.974 1.00 0.00 N ATOM 1222 CA ILE A 74 30.036 36.647 33.443 1.00 0.00 C ATOM 1223 C ILE A 74 28.643 36.987 33.995 1.00 0.00 C ATOM 1224 O ILE A 74 28.224 36.370 34.972 1.00 0.00 O ATOM 1225 CB ILE A 74 31.150 37.524 34.060 1.00 0.00 C ATOM 1226 CG1 ILE A 74 32.500 36.814 33.830 1.00 0.00 C ATOM 1227 CG2 ILE A 74 30.970 37.816 35.562 1.00 0.00 C ATOM 1228 CD1 ILE A 74 33.693 37.763 33.837 1.00 0.00 C ATOM 0 H ILE A 74 30.785 37.408 31.643 1.00 0.00 H new ATOM 0 HA ILE A 74 30.215 35.612 33.735 1.00 0.00 H new ATOM 0 HB ILE A 74 31.106 38.494 33.566 1.00 0.00 H new ATOM 0 HG12 ILE A 74 32.641 36.059 34.604 1.00 0.00 H new ATOM 0 HG13 ILE A 74 32.468 36.290 32.875 1.00 0.00 H new ATOM 0 HG21 ILE A 74 31.794 38.436 35.913 1.00 0.00 H new ATOM 0 HG22 ILE A 74 30.028 38.341 35.720 1.00 0.00 H new ATOM 0 HG23 ILE A 74 30.960 36.878 36.116 1.00 0.00 H new ATOM 0 HD11 ILE A 74 34.609 37.197 33.670 1.00 0.00 H new ATOM 0 HD12 ILE A 74 33.574 38.503 33.046 1.00 0.00 H new ATOM 0 HD13 ILE A 74 33.750 38.269 34.801 1.00 0.00 H new ATOM 1240 N GLU A 75 27.892 37.891 33.356 1.00 0.00 N ATOM 1241 CA GLU A 75 26.484 38.172 33.698 1.00 0.00 C ATOM 1242 C GLU A 75 25.608 36.911 33.660 1.00 0.00 C ATOM 1243 O GLU A 75 24.858 36.645 34.600 1.00 0.00 O ATOM 1244 CB GLU A 75 25.888 39.202 32.725 1.00 0.00 C ATOM 1245 CG GLU A 75 26.510 40.596 32.863 1.00 0.00 C ATOM 1246 CD GLU A 75 26.030 41.580 31.786 1.00 0.00 C ATOM 1247 OE1 GLU A 75 26.637 42.674 31.687 1.00 0.00 O ATOM 1248 OE2 GLU A 75 25.045 41.285 31.065 1.00 0.00 O ATOM 0 H GLU A 75 28.242 38.454 32.581 1.00 0.00 H new ATOM 0 HA GLU A 75 26.489 38.563 34.716 1.00 0.00 H new ATOM 0 HB2 GLU A 75 26.027 38.849 31.703 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.814 39.273 32.895 1.00 0.00 H new ATOM 0 HG2 GLU A 75 26.270 40.998 33.847 1.00 0.00 H new ATOM 0 HG3 GLU A 75 27.595 40.510 32.810 1.00 0.00 H new ATOM 1255 N LYS A 76 25.755 36.089 32.613 1.00 0.00 N ATOM 1256 CA LYS A 76 24.997 34.840 32.404 1.00 0.00 C ATOM 1257 C LYS A 76 25.207 33.857 33.557 1.00 0.00 C ATOM 1258 O LYS A 76 24.304 33.105 33.924 1.00 0.00 O ATOM 1259 CB LYS A 76 25.445 34.174 31.081 1.00 0.00 C ATOM 1260 CG LYS A 76 25.264 35.016 29.798 1.00 0.00 C ATOM 1261 CD LYS A 76 23.900 34.871 29.117 1.00 0.00 C ATOM 1262 CE LYS A 76 23.616 33.490 28.529 1.00 0.00 C ATOM 1263 NZ LYS A 76 22.385 33.505 27.715 1.00 0.00 N1+ ATOM 0 H LYS A 76 26.422 36.276 31.865 1.00 0.00 H new ATOM 0 HA LYS A 76 23.938 35.095 32.358 1.00 0.00 H new ATOM 0 HB2 LYS A 76 26.498 33.908 31.171 1.00 0.00 H new ATOM 0 HB3 LYS A 76 24.891 33.243 30.961 1.00 0.00 H new ATOM 0 HG2 LYS A 76 25.420 36.066 30.045 1.00 0.00 H new ATOM 0 HG3 LYS A 76 26.041 34.737 29.086 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.122 35.108 29.842 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.828 35.611 28.320 1.00 0.00 H new ATOM 0 HE2 LYS A 76 24.459 33.172 27.915 1.00 0.00 H new ATOM 0 HE3 LYS A 76 23.515 32.762 29.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 22.214 32.555 27.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.579 33.786 28.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.493 34.184 26.934 1.00 0.00 H new ATOM 1277 N LEU A 77 26.403 33.896 34.144 1.00 0.00 N ATOM 1278 CA LEU A 77 26.821 33.045 35.251 1.00 0.00 C ATOM 1279 C LEU A 77 26.179 33.443 36.590 1.00 0.00 C ATOM 1280 O LEU A 77 26.170 32.631 37.515 1.00 0.00 O ATOM 1281 CB LEU A 77 28.353 33.088 35.384 1.00 0.00 C ATOM 1282 CG LEU A 77 29.173 33.010 34.084 1.00 0.00 C ATOM 1283 CD1 LEU A 77 30.667 33.001 34.408 1.00 0.00 C ATOM 1284 CD2 LEU A 77 28.876 31.821 33.172 1.00 0.00 C ATOM 0 H LEU A 77 27.132 34.546 33.849 1.00 0.00 H new ATOM 0 HA LEU A 77 26.483 32.035 35.021 1.00 0.00 H new ATOM 0 HB2 LEU A 77 28.622 34.011 35.898 1.00 0.00 H new ATOM 0 HB3 LEU A 77 28.660 32.263 36.027 1.00 0.00 H new ATOM 0 HG LEU A 77 28.871 33.897 33.528 1.00 0.00 H new ATOM 0 HD11 LEU A 77 31.240 32.946 33.482 1.00 0.00 H new ATOM 0 HD12 LEU A 77 30.929 33.914 34.943 1.00 0.00 H new ATOM 0 HD13 LEU A 77 30.899 32.137 35.030 1.00 0.00 H new ATOM 0 HD21 LEU A 77 29.513 31.872 32.289 1.00 0.00 H new ATOM 0 HD22 LEU A 77 29.073 30.893 33.708 1.00 0.00 H new ATOM 0 HD23 LEU A 77 27.830 31.849 32.867 1.00 0.00 H new