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 25 SER OG : rot -160:sc= 0.894 USER MOD Set 1.2: A 66 THR OG1 : rot 167:sc= 0.415 USER MOD Single : A 4 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.42) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.797 K(o=-0.8,f=-1.7!) USER MOD Single : A 8 TYR OH : rot -0:sc= -2.45! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 124:sc= -0.0271 (180deg=-0.443) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.136 K(o=-0.14,f=-3!) USER MOD Single : A 18 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.53) USER MOD Single : A 19 CYS SG : rot -170:sc= 1.4 USER MOD Single : A 20 THR OG1 : rot 55:sc= 0.322 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.0125 (180deg=-0.131) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.227 USER MOD Single : A 28 TYR OH : rot 108:sc= 1.01 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0423) USER MOD Single : A 32 CYS SG : rot 43:sc= 0.469 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 35 SER OG : rot 160:sc= -0.882 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -112:sc= 0 (180deg=-0.0993) USER MOD Single : A 40 SER OG : rot 180:sc=0.000126 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -83:sc= 0.446 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc=-0.00198 K(o=-0.002,f=-0.58) USER MOD Single : A 54 TYR OH : rot 180:sc= 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 68 TYR OH : rot 153:sc= 0 USER MOD Single : A 70 THR OG1 : rot 96:sc= 1.02 USER MOD Single : A 72 ASN : amide:sc= 0.0126 K(o=0.013,f=-0.9) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ASN A 4 21.113 23.757 28.183 1.00 0.00 N ATOM 47 CA ASN A 4 21.545 22.482 27.626 1.00 0.00 C ATOM 48 C ASN A 4 22.893 22.082 28.228 1.00 0.00 C ATOM 49 O ASN A 4 23.741 22.939 28.478 1.00 0.00 O ATOM 50 CB ASN A 4 21.661 22.577 26.104 1.00 0.00 C ATOM 51 CG ASN A 4 20.348 22.948 25.442 1.00 0.00 C ATOM 52 OD1 ASN A 4 19.344 23.180 26.116 1.00 0.00 O ATOM 53 ND2 ASN A 4 20.350 23.005 24.116 1.00 0.00 N ATOM 0 HA ASN A 4 20.803 21.723 27.872 1.00 0.00 H new ATOM 0 HB2 ASN A 4 22.416 23.319 25.846 1.00 0.00 H new ATOM 0 HB3 ASN A 4 22.006 21.621 25.709 1.00 0.00 H new ATOM 0 HD21 ASN A 4 19.496 23.249 23.615 1.00 0.00 H new ATOM 0 HD22 ASN A 4 21.206 22.805 23.598 1.00 0.00 H new ATOM 60 N LYS A 5 23.077 20.806 28.535 1.00 0.00 N ATOM 61 CA LYS A 5 24.336 20.368 29.133 1.00 0.00 C ATOM 62 C LYS A 5 25.577 20.540 28.233 1.00 0.00 C ATOM 63 O LYS A 5 26.526 21.221 28.623 1.00 0.00 O ATOM 64 CB LYS A 5 24.174 18.938 29.661 1.00 0.00 C ATOM 65 CG LYS A 5 25.368 18.436 30.456 1.00 0.00 C ATOM 66 CD LYS A 5 25.102 17.069 31.065 1.00 0.00 C ATOM 67 CE LYS A 5 26.258 16.616 31.942 1.00 0.00 C ATOM 68 NZ LYS A 5 25.999 15.294 32.577 1.00 0.00 N1+ ATOM 0 H LYS A 5 22.389 20.068 28.385 1.00 0.00 H new ATOM 0 HA LYS A 5 24.545 21.039 29.966 1.00 0.00 H new ATOM 0 HB2 LYS A 5 23.285 18.892 30.291 1.00 0.00 H new ATOM 0 HB3 LYS A 5 24.003 18.267 28.819 1.00 0.00 H new ATOM 0 HG2 LYS A 5 26.241 18.381 29.806 1.00 0.00 H new ATOM 0 HG3 LYS A 5 25.604 19.148 31.247 1.00 0.00 H new ATOM 0 HD2 LYS A 5 24.187 17.105 31.657 1.00 0.00 H new ATOM 0 HD3 LYS A 5 24.939 16.341 30.270 1.00 0.00 H new ATOM 0 HE2 LYS A 5 27.166 16.557 31.341 1.00 0.00 H new ATOM 0 HE3 LYS A 5 26.437 17.361 32.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 26.814 15.026 33.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 25.148 15.355 33.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 25.854 14.576 31.838 1.00 0.00 H new ATOM 82 N ASN A 6 25.582 19.944 27.039 1.00 0.00 N ATOM 83 CA ASN A 6 26.802 19.889 26.195 1.00 0.00 C ATOM 84 C ASN A 6 27.541 21.135 25.649 1.00 0.00 C ATOM 85 O ASN A 6 28.766 21.193 25.759 1.00 0.00 O ATOM 86 CB ASN A 6 26.508 18.975 24.997 1.00 0.00 C ATOM 87 CG ASN A 6 27.737 18.714 24.147 1.00 0.00 C ATOM 88 OD1 ASN A 6 28.867 18.928 24.585 1.00 0.00 O ATOM 89 ND2 ASN A 6 27.521 18.243 22.924 1.00 0.00 N ATOM 0 H ASN A 6 24.766 19.492 26.627 1.00 0.00 H new ATOM 0 HA ASN A 6 27.518 19.560 26.949 1.00 0.00 H new ATOM 0 HB2 ASN A 6 26.112 18.026 25.358 1.00 0.00 H new ATOM 0 HB3 ASN A 6 25.733 19.430 24.379 1.00 0.00 H new ATOM 0 HD21 ASN A 6 28.309 18.044 22.308 1.00 0.00 H new ATOM 0 HD22 ASN A 6 26.567 18.080 22.601 1.00 0.00 H new ATOM 96 N GLU A 7 26.855 22.119 25.080 1.00 0.00 N ATOM 97 CA GLU A 7 27.555 23.311 24.572 1.00 0.00 C ATOM 98 C GLU A 7 28.063 24.077 25.791 1.00 0.00 C ATOM 99 O GLU A 7 29.260 24.287 25.991 1.00 0.00 O ATOM 100 CB GLU A 7 26.648 24.086 23.614 1.00 0.00 C ATOM 101 CG GLU A 7 26.197 23.285 22.404 1.00 0.00 C ATOM 102 CD GLU A 7 25.302 24.083 21.477 1.00 0.00 C ATOM 103 OE1 GLU A 7 25.037 25.267 21.777 1.00 0.00 O ATOM 104 OE2 GLU A 7 24.863 23.529 20.448 1.00 0.00 O ATOM 0 H GLU A 7 25.843 22.126 24.957 1.00 0.00 H new ATOM 0 HA GLU A 7 28.425 23.076 23.960 1.00 0.00 H new ATOM 0 HB2 GLU A 7 25.768 24.427 24.159 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.175 24.976 23.271 1.00 0.00 H new ATOM 0 HG2 GLU A 7 27.073 22.943 21.852 1.00 0.00 H new ATOM 0 HG3 GLU A 7 25.665 22.395 22.740 1.00 0.00 H new ATOM 111 N TYR A 8 27.088 24.487 26.584 1.00 0.00 N ATOM 112 CA TYR A 8 27.259 25.312 27.783 1.00 0.00 C ATOM 113 C TYR A 8 28.040 24.600 28.890 1.00 0.00 C ATOM 114 O TYR A 8 28.611 25.275 29.743 1.00 0.00 O ATOM 115 CB TYR A 8 25.881 25.807 28.237 1.00 0.00 C ATOM 116 CG TYR A 8 25.904 27.009 29.160 1.00 0.00 C ATOM 117 CD1 TYR A 8 26.489 28.223 28.744 1.00 0.00 C ATOM 118 CD2 TYR A 8 25.269 26.935 30.411 1.00 0.00 C ATOM 119 CE1 TYR A 8 26.452 29.354 29.574 1.00 0.00 C ATOM 120 CE2 TYR A 8 25.231 28.064 31.250 1.00 0.00 C ATOM 121 CZ TYR A 8 25.820 29.274 30.829 1.00 0.00 C ATOM 122 OH TYR A 8 25.777 30.378 31.611 1.00 0.00 O ATOM 0 H TYR A 8 26.112 24.248 26.409 1.00 0.00 H new ATOM 0 HA TYR A 8 27.877 26.175 27.537 1.00 0.00 H new ATOM 0 HB2 TYR A 8 25.292 26.057 27.354 1.00 0.00 H new ATOM 0 HB3 TYR A 8 25.366 24.990 28.742 1.00 0.00 H new ATOM 0 HD1 TYR A 8 26.969 28.283 27.779 1.00 0.00 H new ATOM 0 HD2 TYR A 8 24.810 26.011 30.729 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.906 30.280 29.252 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.751 28.004 32.216 1.00 0.00 H new ATOM 0 HH TYR A 8 26.227 31.119 31.155 1.00 0.00 H new ATOM 132 N LYS A 9 28.177 23.266 28.810 1.00 0.00 N ATOM 133 CA LYS A 9 29.051 22.499 29.702 1.00 0.00 C ATOM 134 C LYS A 9 30.453 23.120 29.788 1.00 0.00 C ATOM 135 O LYS A 9 30.961 23.299 30.889 1.00 0.00 O ATOM 136 CB LYS A 9 29.153 21.053 29.205 1.00 0.00 C ATOM 137 CG LYS A 9 30.475 20.387 29.613 1.00 0.00 C ATOM 138 CD LYS A 9 30.511 18.929 29.137 1.00 0.00 C ATOM 139 CE LYS A 9 31.833 18.254 29.514 1.00 0.00 C ATOM 140 NZ LYS A 9 31.905 16.843 29.071 1.00 0.00 N1+ ATOM 0 H LYS A 9 27.684 22.693 28.125 1.00 0.00 H new ATOM 0 HA LYS A 9 28.615 22.517 30.701 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.320 20.475 29.604 1.00 0.00 H new ATOM 0 HB3 LYS A 9 29.061 21.037 28.119 1.00 0.00 H new ATOM 0 HG2 LYS A 9 31.313 20.936 29.185 1.00 0.00 H new ATOM 0 HG3 LYS A 9 30.589 20.425 30.696 1.00 0.00 H new ATOM 0 HD2 LYS A 9 29.680 18.379 29.579 1.00 0.00 H new ATOM 0 HD3 LYS A 9 30.377 18.894 28.056 1.00 0.00 H new ATOM 0 HE2 LYS A 9 32.659 18.811 29.072 1.00 0.00 H new ATOM 0 HE3 LYS A 9 31.962 18.297 30.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 32.820 16.437 29.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 31.135 16.301 29.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 31.810 16.799 28.036 1.00 0.00 H new ATOM 154 N ILE A 10 31.050 23.526 28.658 1.00 0.00 N ATOM 155 CA ILE A 10 32.358 24.206 28.578 1.00 0.00 C ATOM 156 C ILE A 10 32.383 25.446 29.475 1.00 0.00 C ATOM 157 O ILE A 10 33.271 25.607 30.309 1.00 0.00 O ATOM 158 CB ILE A 10 32.667 24.619 27.117 1.00 0.00 C ATOM 159 CG1 ILE A 10 32.950 23.419 26.195 1.00 0.00 C ATOM 160 CG2 ILE A 10 33.877 25.573 27.040 1.00 0.00 C ATOM 161 CD1 ILE A 10 31.784 22.972 25.312 1.00 0.00 C ATOM 0 H ILE A 10 30.624 23.387 27.742 1.00 0.00 H new ATOM 0 HA ILE A 10 33.119 23.506 28.922 1.00 0.00 H new ATOM 0 HB ILE A 10 31.764 25.122 26.771 1.00 0.00 H new ATOM 0 HG12 ILE A 10 33.794 23.669 25.552 1.00 0.00 H new ATOM 0 HG13 ILE A 10 33.259 22.575 26.812 1.00 0.00 H new ATOM 0 HG21 ILE A 10 34.064 25.841 26.000 1.00 0.00 H new ATOM 0 HG22 ILE A 10 33.666 26.475 27.615 1.00 0.00 H new ATOM 0 HG23 ILE A 10 34.757 25.078 27.451 1.00 0.00 H new ATOM 0 HD11 ILE A 10 32.093 22.121 24.704 1.00 0.00 H new ATOM 0 HD12 ILE A 10 30.942 22.682 25.940 1.00 0.00 H new ATOM 0 HD13 ILE A 10 31.485 23.793 24.661 1.00 0.00 H new ATOM 173 N LEU A 11 31.392 26.322 29.296 1.00 0.00 N ATOM 174 CA LEU A 11 31.262 27.585 30.028 1.00 0.00 C ATOM 175 C LEU A 11 31.038 27.367 31.533 1.00 0.00 C ATOM 176 O LEU A 11 31.416 28.201 32.354 1.00 0.00 O ATOM 177 CB LEU A 11 30.149 28.411 29.372 1.00 0.00 C ATOM 178 CG LEU A 11 30.665 29.100 28.087 1.00 0.00 C ATOM 179 CD1 LEU A 11 29.496 29.522 27.213 1.00 0.00 C ATOM 180 CD2 LEU A 11 31.492 30.354 28.387 1.00 0.00 C ATOM 0 H LEU A 11 30.641 26.170 28.623 1.00 0.00 H new ATOM 0 HA LEU A 11 32.198 28.141 29.966 1.00 0.00 H new ATOM 0 HB2 LEU A 11 29.304 27.766 29.131 1.00 0.00 H new ATOM 0 HB3 LEU A 11 29.786 29.163 30.073 1.00 0.00 H new ATOM 0 HG LEU A 11 31.297 28.370 27.581 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.872 30.006 26.311 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.912 28.644 26.937 1.00 0.00 H new ATOM 0 HD13 LEU A 11 28.864 30.220 27.763 1.00 0.00 H new ATOM 0 HD21 LEU A 11 31.830 30.799 27.451 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.879 31.073 28.930 1.00 0.00 H new ATOM 0 HD23 LEU A 11 32.357 30.083 28.993 1.00 0.00 H new ATOM 192 N ILE A 12 30.488 26.210 31.892 1.00 0.00 N ATOM 193 CA ILE A 12 30.282 25.772 33.277 1.00 0.00 C ATOM 194 C ILE A 12 31.587 25.244 33.896 1.00 0.00 C ATOM 195 O ILE A 12 31.813 25.452 35.085 1.00 0.00 O ATOM 196 CB ILE A 12 29.118 24.755 33.336 1.00 0.00 C ATOM 197 CG1 ILE A 12 27.811 25.444 32.880 1.00 0.00 C ATOM 198 CG2 ILE A 12 28.951 24.164 34.748 1.00 0.00 C ATOM 199 CD1 ILE A 12 26.726 24.460 32.438 1.00 0.00 C ATOM 0 H ILE A 12 30.162 25.527 31.208 1.00 0.00 H new ATOM 0 HA ILE A 12 29.994 26.627 33.889 1.00 0.00 H new ATOM 0 HB ILE A 12 29.349 23.928 32.665 1.00 0.00 H new ATOM 0 HG12 ILE A 12 27.426 26.054 33.698 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.035 26.121 32.055 1.00 0.00 H new ATOM 0 HG21 ILE A 12 28.124 23.454 34.750 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.869 23.653 35.039 1.00 0.00 H new ATOM 0 HG23 ILE A 12 28.742 24.966 35.456 1.00 0.00 H new ATOM 0 HD11 ILE A 12 25.837 25.012 32.131 1.00 0.00 H new ATOM 0 HD12 ILE A 12 27.092 23.867 31.600 1.00 0.00 H new ATOM 0 HD13 ILE A 12 26.474 23.799 33.267 1.00 0.00 H new ATOM 211 N MET A 13 32.486 24.637 33.112 1.00 0.00 N ATOM 212 CA MET A 13 33.790 24.164 33.605 1.00 0.00 C ATOM 213 C MET A 13 34.683 25.297 34.139 1.00 0.00 C ATOM 214 O MET A 13 35.372 25.100 35.138 1.00 0.00 O ATOM 215 CB MET A 13 34.559 23.378 32.535 1.00 0.00 C ATOM 216 CG MET A 13 33.907 22.099 31.998 1.00 0.00 C ATOM 217 SD MET A 13 33.501 20.796 33.192 1.00 0.00 S ATOM 218 CE MET A 13 31.827 21.265 33.712 1.00 0.00 C ATOM 0 H MET A 13 32.333 24.459 32.119 1.00 0.00 H new ATOM 0 HA MET A 13 33.552 23.501 34.437 1.00 0.00 H new ATOM 0 HB2 MET A 13 34.739 24.044 31.692 1.00 0.00 H new ATOM 0 HB3 MET A 13 35.533 23.113 32.946 1.00 0.00 H new ATOM 0 HG2 MET A 13 32.988 22.381 31.484 1.00 0.00 H new ATOM 0 HG3 MET A 13 34.573 21.672 31.249 1.00 0.00 H new ATOM 0 HE1 MET A 13 31.146 20.432 33.540 1.00 0.00 H new ATOM 0 HE2 MET A 13 31.832 21.516 34.773 1.00 0.00 H new ATOM 0 HE3 MET A 13 31.496 22.129 33.136 1.00 0.00 H new ATOM 228 N LEU A 14 34.661 26.500 33.543 1.00 0.00 N ATOM 229 CA LEU A 14 35.330 27.662 34.129 1.00 0.00 C ATOM 230 C LEU A 14 34.589 28.132 35.396 1.00 0.00 C ATOM 231 O LEU A 14 35.217 28.443 36.408 1.00 0.00 O ATOM 232 CB LEU A 14 35.456 28.817 33.111 1.00 0.00 C ATOM 233 CG LEU A 14 36.051 28.499 31.717 1.00 0.00 C ATOM 234 CD1 LEU A 14 34.927 28.285 30.716 1.00 0.00 C ATOM 235 CD2 LEU A 14 36.920 29.634 31.175 1.00 0.00 C ATOM 0 H LEU A 14 34.188 26.688 32.659 1.00 0.00 H new ATOM 0 HA LEU A 14 36.339 27.358 34.409 1.00 0.00 H new ATOM 0 HB2 LEU A 14 34.462 29.239 32.961 1.00 0.00 H new ATOM 0 HB3 LEU A 14 36.068 29.596 33.565 1.00 0.00 H new ATOM 0 HG LEU A 14 36.665 27.607 31.842 1.00 0.00 H new ATOM 0 HD11 LEU A 14 35.350 28.062 29.736 1.00 0.00 H new ATOM 0 HD12 LEU A 14 34.304 27.452 31.041 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.320 29.188 30.652 1.00 0.00 H new ATOM 0 HD21 LEU A 14 37.311 29.357 30.196 1.00 0.00 H new ATOM 0 HD22 LEU A 14 36.320 30.540 31.084 1.00 0.00 H new ATOM 0 HD23 LEU A 14 37.749 29.816 31.859 1.00 0.00 H new ATOM 247 N LYS A 15 33.248 28.143 35.351 1.00 0.00 N ATOM 248 CA LYS A 15 32.361 28.580 36.441 1.00 0.00 C ATOM 249 C LYS A 15 32.579 27.776 37.729 1.00 0.00 C ATOM 250 O LYS A 15 32.674 28.382 38.791 1.00 0.00 O ATOM 251 CB LYS A 15 30.893 28.503 35.968 1.00 0.00 C ATOM 252 CG LYS A 15 29.817 28.671 37.052 1.00 0.00 C ATOM 253 CD LYS A 15 29.767 30.040 37.728 1.00 0.00 C ATOM 254 CE LYS A 15 28.670 30.115 38.798 1.00 0.00 C ATOM 255 NZ LYS A 15 28.767 31.362 39.593 1.00 0.00 N1+ ATOM 0 H LYS A 15 32.733 27.837 34.526 1.00 0.00 H new ATOM 0 HA LYS A 15 32.605 29.613 36.687 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.737 29.271 35.210 1.00 0.00 H new ATOM 0 HB3 LYS A 15 30.741 27.539 35.482 1.00 0.00 H new ATOM 0 HG2 LYS A 15 28.843 28.471 36.606 1.00 0.00 H new ATOM 0 HG3 LYS A 15 29.978 27.913 37.819 1.00 0.00 H new ATOM 0 HD2 LYS A 15 30.733 30.254 38.184 1.00 0.00 H new ATOM 0 HD3 LYS A 15 29.592 30.809 36.976 1.00 0.00 H new ATOM 0 HE2 LYS A 15 27.691 30.062 38.321 1.00 0.00 H new ATOM 0 HE3 LYS A 15 28.748 29.253 39.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 28.010 31.379 40.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 29.691 31.400 40.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 28.667 32.184 38.963 1.00 0.00 H new ATOM 269 N GLU A 16 32.707 26.450 37.646 1.00 0.00 N ATOM 270 CA GLU A 16 32.924 25.552 38.798 1.00 0.00 C ATOM 271 C GLU A 16 34.167 25.915 39.626 1.00 0.00 C ATOM 272 O GLU A 16 34.141 25.806 40.853 1.00 0.00 O ATOM 273 CB GLU A 16 33.065 24.097 38.301 1.00 0.00 C ATOM 274 CG GLU A 16 31.741 23.427 37.902 1.00 0.00 C ATOM 275 CD GLU A 16 30.736 23.409 39.061 1.00 0.00 C ATOM 276 OE1 GLU A 16 31.123 23.172 40.222 1.00 0.00 O ATOM 277 OE2 GLU A 16 29.523 23.657 38.846 1.00 0.00 O ATOM 0 H GLU A 16 32.663 25.952 36.757 1.00 0.00 H new ATOM 0 HA GLU A 16 32.056 25.665 39.447 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.737 24.083 37.443 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.536 23.503 39.084 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.307 23.957 37.054 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.935 22.406 37.574 1.00 0.00 H new ATOM 284 N ASN A 17 35.205 26.396 38.942 1.00 0.00 N ATOM 285 CA ASN A 17 36.483 26.765 39.559 1.00 0.00 C ATOM 286 C ASN A 17 36.694 28.271 39.791 1.00 0.00 C ATOM 287 O ASN A 17 37.834 28.694 40.009 1.00 0.00 O ATOM 288 CB ASN A 17 37.639 26.222 38.715 1.00 0.00 C ATOM 289 CG ASN A 17 37.603 24.712 38.582 1.00 0.00 C ATOM 290 OD1 ASN A 17 36.707 24.052 39.108 1.00 0.00 O ATOM 291 ND2 ASN A 17 38.580 24.157 37.874 1.00 0.00 N ATOM 0 H ASN A 17 35.184 26.543 37.933 1.00 0.00 H new ATOM 0 HA ASN A 17 36.458 26.315 40.551 1.00 0.00 H new ATOM 0 HB2 ASN A 17 37.602 26.672 37.723 1.00 0.00 H new ATOM 0 HB3 ASN A 17 38.585 26.521 39.166 1.00 0.00 H new ATOM 0 HD21 ASN A 17 38.608 23.145 37.749 1.00 0.00 H new ATOM 0 HD22 ASN A 17 39.303 24.743 37.455 1.00 0.00 H new ATOM 298 N GLN A 18 35.614 29.048 39.648 1.00 0.00 N ATOM 299 CA GLN A 18 35.560 30.521 39.841 1.00 0.00 C ATOM 300 C GLN A 18 36.283 31.347 38.763 1.00 0.00 C ATOM 301 O GLN A 18 36.588 32.523 38.962 1.00 0.00 O ATOM 302 CB GLN A 18 35.963 30.964 41.262 1.00 0.00 C ATOM 303 CG GLN A 18 35.000 30.509 42.346 1.00 0.00 C ATOM 304 CD GLN A 18 33.593 31.040 42.144 1.00 0.00 C ATOM 305 OE1 GLN A 18 33.405 32.193 41.757 1.00 0.00 O ATOM 306 NE2 GLN A 18 32.597 30.201 42.406 1.00 0.00 N ATOM 0 H GLN A 18 34.709 28.660 39.383 1.00 0.00 H new ATOM 0 HA GLN A 18 34.502 30.751 39.716 1.00 0.00 H new ATOM 0 HB2 GLN A 18 36.956 30.574 41.485 1.00 0.00 H new ATOM 0 HB3 GLN A 18 36.034 32.051 41.286 1.00 0.00 H new ATOM 0 HG2 GLN A 18 34.973 29.420 42.367 1.00 0.00 H new ATOM 0 HG3 GLN A 18 35.371 30.837 43.317 1.00 0.00 H new ATOM 0 HE21 GLN A 18 32.799 29.253 42.725 1.00 0.00 H new ATOM 0 HE22 GLN A 18 31.630 30.504 42.288 1.00 0.00 H new ATOM 315 N CYS A 19 36.543 30.709 37.629 1.00 0.00 N ATOM 316 CA CYS A 19 37.149 31.360 36.469 1.00 0.00 C ATOM 317 C CYS A 19 36.068 32.081 35.655 1.00 0.00 C ATOM 318 O CYS A 19 35.542 31.564 34.675 1.00 0.00 O ATOM 319 CB CYS A 19 37.960 30.340 35.662 1.00 0.00 C ATOM 320 SG CYS A 19 39.393 29.809 36.641 1.00 0.00 S ATOM 0 H CYS A 19 36.339 29.720 37.485 1.00 0.00 H new ATOM 0 HA CYS A 19 37.856 32.127 36.785 1.00 0.00 H new ATOM 0 HB2 CYS A 19 37.338 29.481 35.410 1.00 0.00 H new ATOM 0 HB3 CYS A 19 38.290 30.782 34.722 1.00 0.00 H new ATOM 0 HG CYS A 19 40.199 29.118 35.891 1.00 0.00 H new ATOM 326 N THR A 20 35.702 33.285 36.098 1.00 0.00 N ATOM 327 CA THR A 20 34.625 34.097 35.510 1.00 0.00 C ATOM 328 C THR A 20 35.042 35.572 35.440 1.00 0.00 C ATOM 329 O THR A 20 34.409 36.433 36.051 1.00 0.00 O ATOM 330 CB THR A 20 33.283 33.875 36.248 1.00 0.00 C ATOM 331 OG1 THR A 20 33.297 34.364 37.572 1.00 0.00 O ATOM 332 CG2 THR A 20 32.874 32.405 36.359 1.00 0.00 C ATOM 0 H THR A 20 36.154 33.736 36.893 1.00 0.00 H new ATOM 0 HA THR A 20 34.456 33.769 34.484 1.00 0.00 H new ATOM 0 HB THR A 20 32.574 34.423 35.627 1.00 0.00 H new ATOM 0 HG1 THR A 20 33.563 35.307 37.570 1.00 0.00 H new ATOM 0 HG21 THR A 20 31.924 32.331 36.888 1.00 0.00 H new ATOM 0 HG22 THR A 20 32.767 31.981 35.361 1.00 0.00 H new ATOM 0 HG23 THR A 20 33.639 31.855 36.907 1.00 0.00 H new ATOM 340 N THR A 21 36.160 35.874 34.768 1.00 0.00 N ATOM 341 CA THR A 21 36.801 37.203 34.786 1.00 0.00 C ATOM 342 C THR A 21 37.837 37.354 33.680 1.00 0.00 C ATOM 343 O THR A 21 38.483 36.382 33.285 1.00 0.00 O ATOM 344 CB THR A 21 37.429 37.468 36.177 1.00 0.00 C ATOM 345 OG1 THR A 21 38.044 38.730 36.267 1.00 0.00 O ATOM 346 CG2 THR A 21 38.513 36.460 36.570 1.00 0.00 C ATOM 0 H THR A 21 36.654 35.196 34.188 1.00 0.00 H new ATOM 0 HA THR A 21 36.030 37.950 34.597 1.00 0.00 H new ATOM 0 HB THR A 21 36.572 37.389 36.846 1.00 0.00 H new ATOM 0 HG1 THR A 21 38.422 38.847 37.164 1.00 0.00 H new ATOM 0 HG21 THR A 21 38.904 36.712 37.556 1.00 0.00 H new ATOM 0 HG22 THR A 21 38.086 35.457 36.595 1.00 0.00 H new ATOM 0 HG23 THR A 21 39.322 36.492 35.840 1.00 0.00 H new ATOM 354 N GLU A 22 38.032 38.592 33.211 1.00 0.00 N ATOM 355 CA GLU A 22 39.089 38.928 32.248 1.00 0.00 C ATOM 356 C GLU A 22 40.497 38.649 32.814 1.00 0.00 C ATOM 357 O GLU A 22 41.446 38.416 32.065 1.00 0.00 O ATOM 358 CB GLU A 22 38.990 40.395 31.791 1.00 0.00 C ATOM 359 CG GLU A 22 37.635 40.839 31.215 1.00 0.00 C ATOM 360 CD GLU A 22 37.835 41.900 30.115 1.00 0.00 C ATOM 361 OE1 GLU A 22 37.273 41.768 29.006 1.00 0.00 O ATOM 362 OE2 GLU A 22 38.579 42.881 30.358 1.00 0.00 O ATOM 0 H GLU A 22 37.461 39.390 33.488 1.00 0.00 H new ATOM 0 HA GLU A 22 38.936 38.281 31.384 1.00 0.00 H new ATOM 0 HB2 GLU A 22 39.227 41.035 32.641 1.00 0.00 H new ATOM 0 HB3 GLU A 22 39.757 40.571 31.036 1.00 0.00 H new ATOM 0 HG2 GLU A 22 37.108 39.977 30.805 1.00 0.00 H new ATOM 0 HG3 GLU A 22 37.011 41.246 32.011 1.00 0.00 H new ATOM 369 N LEU A 23 40.608 38.761 34.135 1.00 0.00 N ATOM 370 CA LEU A 23 41.859 38.532 34.845 1.00 0.00 C ATOM 371 C LEU A 23 42.309 37.086 34.701 1.00 0.00 C ATOM 372 O LEU A 23 43.497 36.806 34.542 1.00 0.00 O ATOM 373 CB LEU A 23 41.705 38.884 36.326 1.00 0.00 C ATOM 374 CG LEU A 23 42.064 40.320 36.717 1.00 0.00 C ATOM 375 CD1 LEU A 23 41.098 41.314 36.091 1.00 0.00 C ATOM 376 CD2 LEU A 23 42.084 40.471 38.230 1.00 0.00 C ATOM 0 H LEU A 23 39.829 39.014 34.743 1.00 0.00 H new ATOM 0 HA LEU A 23 42.619 39.177 34.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 40.671 38.697 36.618 1.00 0.00 H new ATOM 0 HB3 LEU A 23 42.328 38.204 36.907 1.00 0.00 H new ATOM 0 HG LEU A 23 43.062 40.536 36.335 1.00 0.00 H new ATOM 0 HD11 LEU A 23 41.376 42.326 36.385 1.00 0.00 H new ATOM 0 HD12 LEU A 23 41.140 41.227 35.005 1.00 0.00 H new ATOM 0 HD13 LEU A 23 40.085 41.102 36.433 1.00 0.00 H new ATOM 0 HD21 LEU A 23 42.341 41.498 38.490 1.00 0.00 H new ATOM 0 HD22 LEU A 23 41.100 40.230 38.633 1.00 0.00 H new ATOM 0 HD23 LEU A 23 42.825 39.793 38.654 1.00 0.00 H new ATOM 388 N LYS A 24 41.349 36.169 34.758 1.00 0.00 N ATOM 389 CA LYS A 24 41.647 34.751 34.645 1.00 0.00 C ATOM 390 C LYS A 24 41.256 34.245 33.250 1.00 0.00 C ATOM 391 O LYS A 24 40.129 34.462 32.806 1.00 0.00 O ATOM 392 CB LYS A 24 40.890 33.963 35.714 1.00 0.00 C ATOM 393 CG LYS A 24 41.092 34.492 37.123 1.00 0.00 C ATOM 394 CD LYS A 24 40.528 33.534 38.160 1.00 0.00 C ATOM 395 CE LYS A 24 40.682 34.080 39.569 1.00 0.00 C ATOM 396 NZ LYS A 24 42.113 34.248 39.947 1.00 0.00 N1+ ATOM 0 H LYS A 24 40.360 36.385 34.882 1.00 0.00 H new ATOM 0 HA LYS A 24 42.717 34.605 34.793 1.00 0.00 H new ATOM 0 HB2 LYS A 24 39.826 33.979 35.479 1.00 0.00 H new ATOM 0 HB3 LYS A 24 41.208 32.921 35.678 1.00 0.00 H new ATOM 0 HG2 LYS A 24 42.155 34.645 37.307 1.00 0.00 H new ATOM 0 HG3 LYS A 24 40.608 35.464 37.222 1.00 0.00 H new ATOM 0 HD2 LYS A 24 39.473 33.353 37.953 1.00 0.00 H new ATOM 0 HD3 LYS A 24 41.038 32.573 38.084 1.00 0.00 H new ATOM 0 HE2 LYS A 24 40.172 35.040 39.644 1.00 0.00 H new ATOM 0 HE3 LYS A 24 40.197 33.405 40.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 42.182 34.442 40.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 42.636 33.377 39.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 42.522 35.043 39.415 1.00 0.00 H new ATOM 410 N SER A 25 42.179 33.575 32.561 1.00 0.00 N ATOM 411 CA SER A 25 41.925 33.061 31.224 1.00 0.00 C ATOM 412 C SER A 25 42.456 31.639 31.150 1.00 0.00 C ATOM 413 O SER A 25 43.282 31.240 31.970 1.00 0.00 O ATOM 414 CB SER A 25 42.607 33.936 30.172 1.00 0.00 C ATOM 415 OG SER A 25 44.000 33.682 30.124 1.00 0.00 O ATOM 0 H SER A 25 43.115 33.377 32.914 1.00 0.00 H new ATOM 0 HA SER A 25 40.854 33.072 31.023 1.00 0.00 H new ATOM 0 HB2 SER A 25 42.165 33.745 29.194 1.00 0.00 H new ATOM 0 HB3 SER A 25 42.433 34.987 30.401 1.00 0.00 H new ATOM 0 HG SER A 25 44.456 34.439 29.700 1.00 0.00 H new ATOM 421 N PHE A 26 42.072 30.907 30.120 1.00 0.00 N ATOM 422 CA PHE A 26 42.569 29.557 30.005 1.00 0.00 C ATOM 423 C PHE A 26 43.083 29.186 28.623 1.00 0.00 C ATOM 424 O PHE A 26 42.601 29.666 27.597 1.00 0.00 O ATOM 425 CB PHE A 26 41.476 28.566 30.418 1.00 0.00 C ATOM 426 CG PHE A 26 41.419 28.309 31.897 1.00 0.00 C ATOM 427 CD1 PHE A 26 42.453 28.715 32.725 1.00 0.00 C ATOM 428 CD2 PHE A 26 40.330 27.664 32.459 1.00 0.00 C ATOM 429 CE1 PHE A 26 42.402 28.480 34.086 1.00 0.00 C ATOM 430 CE2 PHE A 26 40.273 27.426 33.819 1.00 0.00 C ATOM 431 CZ PHE A 26 41.310 27.835 34.634 1.00 0.00 C ATOM 0 H PHE A 26 41.441 31.213 29.379 1.00 0.00 H new ATOM 0 HA PHE A 26 43.428 29.504 30.673 1.00 0.00 H new ATOM 0 HB2 PHE A 26 40.510 28.946 30.087 1.00 0.00 H new ATOM 0 HB3 PHE A 26 41.641 27.621 29.900 1.00 0.00 H new ATOM 0 HD1 PHE A 26 43.308 29.221 32.302 1.00 0.00 H new ATOM 0 HD2 PHE A 26 39.515 27.343 31.827 1.00 0.00 H new ATOM 0 HE1 PHE A 26 43.215 28.800 34.721 1.00 0.00 H new ATOM 0 HE2 PHE A 26 39.418 26.921 34.244 1.00 0.00 H new ATOM 0 HZ PHE A 26 41.268 27.651 35.697 1.00 0.00 H new ATOM 441 N THR A 27 44.079 28.313 28.638 1.00 0.00 N ATOM 442 CA THR A 27 44.626 27.717 27.404 1.00 0.00 C ATOM 443 C THR A 27 43.715 26.609 26.865 1.00 0.00 C ATOM 444 O THR A 27 43.001 25.954 27.629 1.00 0.00 O ATOM 445 CB THR A 27 46.026 27.112 27.633 1.00 0.00 C ATOM 446 OG1 THR A 27 45.998 26.097 28.618 1.00 0.00 O ATOM 447 CG2 THR A 27 47.069 28.162 28.009 1.00 0.00 C ATOM 0 H THR A 27 44.535 27.993 29.492 1.00 0.00 H new ATOM 0 HA THR A 27 44.692 28.530 26.681 1.00 0.00 H new ATOM 0 HB THR A 27 46.320 26.676 26.678 1.00 0.00 H new ATOM 0 HG1 THR A 27 46.900 25.733 28.738 1.00 0.00 H new ATOM 0 HG21 THR A 27 48.035 27.679 28.158 1.00 0.00 H new ATOM 0 HG22 THR A 27 47.151 28.897 27.208 1.00 0.00 H new ATOM 0 HG23 THR A 27 46.767 28.661 28.930 1.00 0.00 H new ATOM 455 N TYR A 28 43.798 26.309 25.560 1.00 0.00 N ATOM 456 CA TYR A 28 43.142 25.115 25.005 1.00 0.00 C ATOM 457 C TYR A 28 43.657 23.806 25.623 1.00 0.00 C ATOM 458 O TYR A 28 42.869 22.872 25.773 1.00 0.00 O ATOM 459 CB TYR A 28 43.243 25.076 23.473 1.00 0.00 C ATOM 460 CG TYR A 28 42.283 26.001 22.744 1.00 0.00 C ATOM 461 CD1 TYR A 28 40.909 25.998 23.070 1.00 0.00 C ATOM 462 CD2 TYR A 28 42.744 26.812 21.686 1.00 0.00 C ATOM 463 CE1 TYR A 28 40.006 26.814 22.371 1.00 0.00 C ATOM 464 CE2 TYR A 28 41.840 27.633 20.984 1.00 0.00 C ATOM 465 CZ TYR A 28 40.475 27.645 21.338 1.00 0.00 C ATOM 466 OH TYR A 28 39.620 28.506 20.732 1.00 0.00 O ATOM 0 H TYR A 28 44.307 26.869 24.876 1.00 0.00 H new ATOM 0 HA TYR A 28 42.089 25.197 25.276 1.00 0.00 H new ATOM 0 HB2 TYR A 28 44.262 25.333 23.184 1.00 0.00 H new ATOM 0 HB3 TYR A 28 43.065 24.054 23.138 1.00 0.00 H new ATOM 0 HD1 TYR A 28 40.549 25.362 23.865 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.789 26.803 21.414 1.00 0.00 H new ATOM 0 HE1 TYR A 28 38.956 26.804 22.625 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.193 28.254 20.174 1.00 0.00 H new ATOM 0 HH TYR A 28 39.825 29.422 21.012 1.00 0.00 H new ATOM 476 N THR A 29 44.919 23.756 26.069 1.00 0.00 N ATOM 477 CA THR A 29 45.468 22.627 26.837 1.00 0.00 C ATOM 478 C THR A 29 44.664 22.386 28.120 1.00 0.00 C ATOM 479 O THR A 29 44.216 21.266 28.371 1.00 0.00 O ATOM 480 CB THR A 29 46.946 22.874 27.195 1.00 0.00 C ATOM 481 OG1 THR A 29 47.693 23.297 26.072 1.00 0.00 O ATOM 482 CG2 THR A 29 47.621 21.616 27.725 1.00 0.00 C ATOM 0 H THR A 29 45.594 24.503 25.907 1.00 0.00 H new ATOM 0 HA THR A 29 45.397 21.740 26.207 1.00 0.00 H new ATOM 0 HB THR A 29 46.932 23.649 27.961 1.00 0.00 H new ATOM 0 HG1 THR A 29 48.625 23.446 26.336 1.00 0.00 H new ATOM 0 HG21 THR A 29 48.661 21.835 27.965 1.00 0.00 H new ATOM 0 HG22 THR A 29 47.105 21.277 28.623 1.00 0.00 H new ATOM 0 HG23 THR A 29 47.580 20.834 26.967 1.00 0.00 H new ATOM 490 N LYS A 30 44.397 23.440 28.908 1.00 0.00 N ATOM 491 CA LYS A 30 43.580 23.321 30.125 1.00 0.00 C ATOM 492 C LYS A 30 42.108 23.043 29.825 1.00 0.00 C ATOM 493 O LYS A 30 41.518 22.190 30.481 1.00 0.00 O ATOM 494 CB LYS A 30 43.741 24.554 31.017 1.00 0.00 C ATOM 495 CG LYS A 30 43.126 24.238 32.389 1.00 0.00 C ATOM 496 CD LYS A 30 43.419 25.335 33.403 1.00 0.00 C ATOM 497 CE LYS A 30 43.457 24.798 34.837 1.00 0.00 C ATOM 498 NZ LYS A 30 44.699 24.031 35.102 1.00 0.00 N1+ ATOM 0 H LYS A 30 44.736 24.384 28.723 1.00 0.00 H new ATOM 0 HA LYS A 30 43.953 22.453 30.668 1.00 0.00 H new ATOM 0 HB2 LYS A 30 44.795 24.811 31.123 1.00 0.00 H new ATOM 0 HB3 LYS A 30 43.246 25.415 30.568 1.00 0.00 H new ATOM 0 HG2 LYS A 30 42.048 24.117 32.285 1.00 0.00 H new ATOM 0 HG3 LYS A 30 43.520 23.290 32.755 1.00 0.00 H new ATOM 0 HD2 LYS A 30 44.375 25.802 33.166 1.00 0.00 H new ATOM 0 HD3 LYS A 30 42.658 26.111 33.327 1.00 0.00 H new ATOM 0 HE2 LYS A 30 43.385 25.629 35.539 1.00 0.00 H new ATOM 0 HE3 LYS A 30 42.591 24.159 35.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 44.789 23.858 36.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 44.660 23.122 34.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 45.521 24.575 34.770 1.00 0.00 H new ATOM 512 N LEU A 31 41.521 23.727 28.840 1.00 0.00 N ATOM 513 CA LEU A 31 40.119 23.533 28.441 1.00 0.00 C ATOM 514 C LEU A 31 39.839 22.080 28.003 1.00 0.00 C ATOM 515 O LEU A 31 38.804 21.521 28.365 1.00 0.00 O ATOM 516 CB LEU A 31 39.767 24.534 27.323 1.00 0.00 C ATOM 517 CG LEU A 31 39.650 26.000 27.782 1.00 0.00 C ATOM 518 CD1 LEU A 31 39.715 26.947 26.581 1.00 0.00 C ATOM 519 CD2 LEU A 31 38.325 26.251 28.503 1.00 0.00 C ATOM 0 H LEU A 31 42.006 24.437 28.291 1.00 0.00 H new ATOM 0 HA LEU A 31 39.482 23.721 29.305 1.00 0.00 H new ATOM 0 HB2 LEU A 31 40.528 24.471 26.545 1.00 0.00 H new ATOM 0 HB3 LEU A 31 38.822 24.233 26.870 1.00 0.00 H new ATOM 0 HG LEU A 31 40.482 26.188 28.461 1.00 0.00 H new ATOM 0 HD11 LEU A 31 39.631 27.978 26.925 1.00 0.00 H new ATOM 0 HD12 LEU A 31 40.665 26.814 26.064 1.00 0.00 H new ATOM 0 HD13 LEU A 31 38.896 26.725 25.898 1.00 0.00 H new ATOM 0 HD21 LEU A 31 38.272 27.294 28.815 1.00 0.00 H new ATOM 0 HD22 LEU A 31 37.497 26.031 27.829 1.00 0.00 H new ATOM 0 HD23 LEU A 31 38.260 25.607 29.380 1.00 0.00 H new ATOM 531 N CYS A 32 40.788 21.460 27.294 1.00 0.00 N ATOM 532 CA CYS A 32 40.801 20.035 26.955 1.00 0.00 C ATOM 533 C CYS A 32 40.758 19.143 28.213 1.00 0.00 C ATOM 534 O CYS A 32 39.846 18.328 28.358 1.00 0.00 O ATOM 535 CB CYS A 32 42.052 19.809 26.087 1.00 0.00 C ATOM 536 SG CYS A 32 42.349 18.065 25.693 1.00 0.00 S ATOM 0 H CYS A 32 41.599 21.957 26.927 1.00 0.00 H new ATOM 0 HA CYS A 32 39.908 19.750 26.399 1.00 0.00 H new ATOM 0 HB2 CYS A 32 41.947 20.371 25.159 1.00 0.00 H new ATOM 0 HB3 CYS A 32 42.923 20.210 26.606 1.00 0.00 H new ATOM 0 HG CYS A 32 41.224 17.493 25.383 1.00 0.00 H new ATOM 542 N ASN A 33 41.681 19.362 29.162 1.00 0.00 N ATOM 543 CA ASN A 33 41.748 18.630 30.434 1.00 0.00 C ATOM 544 C ASN A 33 40.460 18.766 31.273 1.00 0.00 C ATOM 545 O ASN A 33 39.802 17.766 31.552 1.00 0.00 O ATOM 546 CB ASN A 33 43.004 19.091 31.205 1.00 0.00 C ATOM 547 CG ASN A 33 43.046 18.589 32.644 1.00 0.00 C ATOM 548 OD1 ASN A 33 42.706 17.457 32.950 1.00 0.00 O ATOM 549 ND2 ASN A 33 43.432 19.429 33.580 1.00 0.00 N ATOM 0 H ASN A 33 42.414 20.065 29.064 1.00 0.00 H new ATOM 0 HA ASN A 33 41.829 17.564 30.221 1.00 0.00 H new ATOM 0 HB2 ASN A 33 43.893 18.742 30.680 1.00 0.00 H new ATOM 0 HB3 ASN A 33 43.042 20.180 31.206 1.00 0.00 H new ATOM 0 HD21 ASN A 33 43.446 19.133 34.556 1.00 0.00 H new ATOM 0 HD22 ASN A 33 43.717 20.376 33.330 1.00 0.00 H new ATOM 556 N ILE A 34 40.071 19.988 31.661 1.00 0.00 N ATOM 557 CA ILE A 34 38.953 20.203 32.602 1.00 0.00 C ATOM 558 C ILE A 34 37.609 19.720 32.042 1.00 0.00 C ATOM 559 O ILE A 34 36.773 19.245 32.805 1.00 0.00 O ATOM 560 CB ILE A 34 38.852 21.675 33.073 1.00 0.00 C ATOM 561 CG1 ILE A 34 38.380 22.614 31.939 1.00 0.00 C ATOM 562 CG2 ILE A 34 40.168 22.132 33.735 1.00 0.00 C ATOM 563 CD1 ILE A 34 38.349 24.094 32.318 1.00 0.00 C ATOM 0 H ILE A 34 40.513 20.849 31.339 1.00 0.00 H new ATOM 0 HA ILE A 34 39.183 19.591 33.474 1.00 0.00 H new ATOM 0 HB ILE A 34 38.079 21.734 33.840 1.00 0.00 H new ATOM 0 HG12 ILE A 34 39.038 22.485 31.079 1.00 0.00 H new ATOM 0 HG13 ILE A 34 37.381 22.311 31.625 1.00 0.00 H new ATOM 0 HG21 ILE A 34 40.072 23.169 34.057 1.00 0.00 H new ATOM 0 HG22 ILE A 34 40.379 21.501 34.599 1.00 0.00 H new ATOM 0 HG23 ILE A 34 40.984 22.049 33.017 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.007 24.681 31.466 1.00 0.00 H new ATOM 0 HD12 ILE A 34 37.668 24.241 33.156 1.00 0.00 H new ATOM 0 HD13 ILE A 34 39.350 24.418 32.603 1.00 0.00 H new ATOM 575 N SER A 35 37.401 19.825 30.722 1.00 0.00 N ATOM 576 CA SER A 35 36.174 19.369 30.059 1.00 0.00 C ATOM 577 C SER A 35 36.235 17.906 29.593 1.00 0.00 C ATOM 578 O SER A 35 35.217 17.375 29.139 1.00 0.00 O ATOM 579 CB SER A 35 35.841 20.310 28.898 1.00 0.00 C ATOM 580 OG SER A 35 34.515 20.085 28.462 1.00 0.00 O ATOM 0 H SER A 35 38.084 20.231 30.082 1.00 0.00 H new ATOM 0 HA SER A 35 35.375 19.401 30.799 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.958 21.347 29.213 1.00 0.00 H new ATOM 0 HB3 SER A 35 36.537 20.147 28.075 1.00 0.00 H new ATOM 0 HG SER A 35 34.197 20.867 27.965 1.00 0.00 H new ATOM 586 N LYS A 36 37.401 17.248 29.699 1.00 0.00 N ATOM 587 CA LYS A 36 37.652 15.840 29.336 1.00 0.00 C ATOM 588 C LYS A 36 37.329 15.468 27.883 1.00 0.00 C ATOM 589 O LYS A 36 36.784 14.401 27.590 1.00 0.00 O ATOM 590 CB LYS A 36 37.022 14.918 30.393 1.00 0.00 C ATOM 591 CG LYS A 36 38.127 14.401 31.329 1.00 0.00 C ATOM 592 CD LYS A 36 37.598 13.598 32.517 1.00 0.00 C ATOM 593 CE LYS A 36 36.794 14.469 33.484 1.00 0.00 C ATOM 594 NZ LYS A 36 36.387 13.691 34.671 1.00 0.00 N1+ ATOM 0 H LYS A 36 38.239 17.706 30.059 1.00 0.00 H new ATOM 0 HA LYS A 36 38.731 15.687 29.355 1.00 0.00 H new ATOM 0 HB2 LYS A 36 36.268 15.460 30.964 1.00 0.00 H new ATOM 0 HB3 LYS A 36 36.516 14.082 29.910 1.00 0.00 H new ATOM 0 HG2 LYS A 36 38.814 13.777 30.757 1.00 0.00 H new ATOM 0 HG3 LYS A 36 38.702 15.249 31.702 1.00 0.00 H new ATOM 0 HD2 LYS A 36 36.970 12.784 32.154 1.00 0.00 H new ATOM 0 HD3 LYS A 36 38.434 13.143 33.048 1.00 0.00 H new ATOM 0 HE2 LYS A 36 37.392 15.326 33.792 1.00 0.00 H new ATOM 0 HE3 LYS A 36 35.911 14.861 32.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 35.843 14.300 35.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 35.798 12.887 34.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 37.233 13.338 35.161 1.00 0.00 H new ATOM 608 N LEU A 37 37.660 16.358 26.955 1.00 0.00 N ATOM 609 CA LEU A 37 37.383 16.200 25.538 1.00 0.00 C ATOM 610 C LEU A 37 38.484 16.819 24.679 1.00 0.00 C ATOM 611 O LEU A 37 39.225 17.688 25.130 1.00 0.00 O ATOM 612 CB LEU A 37 35.978 16.753 25.262 1.00 0.00 C ATOM 613 CG LEU A 37 35.652 18.185 25.729 1.00 0.00 C ATOM 614 CD1 LEU A 37 36.023 19.292 24.750 1.00 0.00 C ATOM 615 CD2 LEU A 37 34.152 18.302 25.977 1.00 0.00 C ATOM 0 H LEU A 37 38.140 17.230 27.176 1.00 0.00 H new ATOM 0 HA LEU A 37 37.388 15.147 25.257 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.808 16.707 24.186 1.00 0.00 H new ATOM 0 HB3 LEU A 37 35.258 16.080 25.727 1.00 0.00 H new ATOM 0 HG LEU A 37 36.257 18.329 26.624 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.752 20.259 25.174 1.00 0.00 H new ATOM 0 HD12 LEU A 37 37.096 19.266 24.561 1.00 0.00 H new ATOM 0 HD13 LEU A 37 35.486 19.144 23.813 1.00 0.00 H new ATOM 0 HD21 LEU A 37 33.916 19.313 26.308 1.00 0.00 H new ATOM 0 HD22 LEU A 37 33.613 18.087 25.055 1.00 0.00 H new ATOM 0 HD23 LEU A 37 33.854 17.590 26.746 1.00 0.00 H new ATOM 627 N SER A 38 38.605 16.362 23.434 1.00 0.00 N ATOM 628 CA SER A 38 39.666 16.825 22.536 1.00 0.00 C ATOM 629 C SER A 38 39.521 18.319 22.231 1.00 0.00 C ATOM 630 O SER A 38 38.409 18.842 22.101 1.00 0.00 O ATOM 631 CB SER A 38 39.691 15.996 21.251 1.00 0.00 C ATOM 632 OG SER A 38 39.649 14.618 21.580 1.00 0.00 O ATOM 0 H SER A 38 37.980 15.669 23.021 1.00 0.00 H new ATOM 0 HA SER A 38 40.621 16.685 23.043 1.00 0.00 H new ATOM 0 HB2 SER A 38 38.841 16.257 20.620 1.00 0.00 H new ATOM 0 HB3 SER A 38 40.592 16.218 20.679 1.00 0.00 H new ATOM 0 HG SER A 38 39.663 14.085 20.758 1.00 0.00 H new ATOM 638 N MET A 39 40.646 19.023 22.093 1.00 0.00 N ATOM 639 CA MET A 39 40.653 20.483 21.935 1.00 0.00 C ATOM 640 C MET A 39 39.967 20.971 20.646 1.00 0.00 C ATOM 641 O MET A 39 39.578 22.134 20.573 1.00 0.00 O ATOM 642 CB MET A 39 42.080 21.039 22.079 1.00 0.00 C ATOM 643 CG MET A 39 43.059 20.640 20.969 1.00 0.00 C ATOM 644 SD MET A 39 44.690 21.426 21.040 1.00 0.00 S ATOM 645 CE MET A 39 44.224 23.040 20.362 1.00 0.00 C ATOM 0 H MET A 39 41.575 18.602 22.087 1.00 0.00 H new ATOM 0 HA MET A 39 40.045 20.885 22.745 1.00 0.00 H new ATOM 0 HB2 MET A 39 42.025 22.127 22.117 1.00 0.00 H new ATOM 0 HB3 MET A 39 42.486 20.707 23.034 1.00 0.00 H new ATOM 0 HG2 MET A 39 43.195 19.559 21.001 1.00 0.00 H new ATOM 0 HG3 MET A 39 42.604 20.875 20.007 1.00 0.00 H new ATOM 0 HE1 MET A 39 44.684 23.170 19.382 1.00 0.00 H new ATOM 0 HE2 MET A 39 43.140 23.094 20.264 1.00 0.00 H new ATOM 0 HE3 MET A 39 44.567 23.829 21.031 1.00 0.00 H new ATOM 655 N SER A 40 39.729 20.093 19.670 1.00 0.00 N ATOM 656 CA SER A 40 38.830 20.334 18.537 1.00 0.00 C ATOM 657 C SER A 40 37.405 20.664 19.006 1.00 0.00 C ATOM 658 O SER A 40 36.927 21.769 18.750 1.00 0.00 O ATOM 659 CB SER A 40 38.855 19.112 17.611 1.00 0.00 C ATOM 660 OG SER A 40 38.611 17.920 18.342 1.00 0.00 O ATOM 0 H SER A 40 40.166 19.172 19.644 1.00 0.00 H new ATOM 0 HA SER A 40 39.178 21.206 17.983 1.00 0.00 H new ATOM 0 HB2 SER A 40 38.102 19.226 16.831 1.00 0.00 H new ATOM 0 HB3 SER A 40 39.823 19.047 17.113 1.00 0.00 H new ATOM 0 HG SER A 40 38.630 17.153 17.732 1.00 0.00 H new ATOM 666 N THR A 41 36.746 19.776 19.760 1.00 0.00 N ATOM 667 CA THR A 41 35.393 19.993 20.313 1.00 0.00 C ATOM 668 C THR A 41 35.326 21.272 21.156 1.00 0.00 C ATOM 669 O THR A 41 34.378 22.060 21.050 1.00 0.00 O ATOM 670 CB THR A 41 34.932 18.777 21.140 1.00 0.00 C ATOM 671 OG1 THR A 41 34.930 17.610 20.346 1.00 0.00 O ATOM 672 CG2 THR A 41 33.510 18.956 21.670 1.00 0.00 C ATOM 0 H THR A 41 37.140 18.869 20.010 1.00 0.00 H new ATOM 0 HA THR A 41 34.714 20.114 19.469 1.00 0.00 H new ATOM 0 HB THR A 41 35.631 18.689 21.971 1.00 0.00 H new ATOM 0 HG1 THR A 41 34.637 16.847 20.887 1.00 0.00 H new ATOM 0 HG21 THR A 41 33.224 18.077 22.247 1.00 0.00 H new ATOM 0 HG22 THR A 41 33.468 19.839 22.308 1.00 0.00 H new ATOM 0 HG23 THR A 41 32.823 19.080 20.833 1.00 0.00 H new ATOM 680 N VAL A 42 36.353 21.525 21.950 1.00 0.00 N ATOM 681 CA VAL A 42 36.399 22.734 22.787 1.00 0.00 C ATOM 682 C VAL A 42 36.616 24.019 21.975 1.00 0.00 C ATOM 683 O VAL A 42 36.077 25.057 22.345 1.00 0.00 O ATOM 684 CB VAL A 42 37.381 22.558 23.964 1.00 0.00 C ATOM 685 CG1 VAL A 42 38.537 23.561 24.020 1.00 0.00 C ATOM 686 CG2 VAL A 42 36.628 22.690 25.286 1.00 0.00 C ATOM 0 H VAL A 42 37.168 20.918 22.040 1.00 0.00 H new ATOM 0 HA VAL A 42 35.412 22.865 23.230 1.00 0.00 H new ATOM 0 HB VAL A 42 37.814 21.571 23.803 1.00 0.00 H new ATOM 0 HG11 VAL A 42 39.164 23.345 24.885 1.00 0.00 H new ATOM 0 HG12 VAL A 42 39.133 23.481 23.111 1.00 0.00 H new ATOM 0 HG13 VAL A 42 38.138 24.572 24.104 1.00 0.00 H new ATOM 0 HG21 VAL A 42 37.324 22.565 26.115 1.00 0.00 H new ATOM 0 HG22 VAL A 42 36.166 23.676 25.345 1.00 0.00 H new ATOM 0 HG23 VAL A 42 35.855 21.923 25.343 1.00 0.00 H new ATOM 696 N ARG A 43 37.324 23.975 20.843 1.00 0.00 N ATOM 697 CA ARG A 43 37.489 25.096 19.909 1.00 0.00 C ATOM 698 C ARG A 43 36.213 25.388 19.107 1.00 0.00 C ATOM 699 O ARG A 43 35.944 26.564 18.874 1.00 0.00 O ATOM 700 CB ARG A 43 38.731 24.815 19.037 1.00 0.00 C ATOM 701 CG ARG A 43 38.939 25.727 17.823 1.00 0.00 C ATOM 702 CD ARG A 43 39.098 27.229 18.126 1.00 0.00 C ATOM 703 NE ARG A 43 39.342 28.058 16.927 1.00 0.00 N ATOM 704 CZ ARG A 43 39.198 29.373 16.867 1.00 0.00 C ATOM 705 NH1 ARG A 43 38.813 30.040 17.917 1.00 0.00 N ATOM 706 NH2 ARG A 43 39.436 30.009 15.760 1.00 0.00 N ATOM 0 H ARG A 43 37.814 23.133 20.541 1.00 0.00 H new ATOM 0 HA ARG A 43 37.659 26.020 20.461 1.00 0.00 H new ATOM 0 HB2 ARG A 43 39.615 24.885 19.671 1.00 0.00 H new ATOM 0 HB3 ARG A 43 38.673 23.786 18.684 1.00 0.00 H new ATOM 0 HG2 ARG A 43 39.826 25.389 17.287 1.00 0.00 H new ATOM 0 HG3 ARG A 43 38.092 25.600 17.149 1.00 0.00 H new ATOM 0 HD2 ARG A 43 38.198 27.586 18.626 1.00 0.00 H new ATOM 0 HD3 ARG A 43 39.925 27.364 18.823 1.00 0.00 H new ATOM 0 HE ARG A 43 39.645 27.579 16.079 1.00 0.00 H new ATOM 0 HH11 ARG A 43 38.621 29.550 18.791 1.00 0.00 H new ATOM 0 HH12 ARG A 43 38.704 31.053 17.866 1.00 0.00 H new ATOM 0 HH21 ARG A 43 39.735 29.496 14.931 1.00 0.00 H new ATOM 0 HH22 ARG A 43 39.323 31.022 15.719 1.00 0.00 H new ATOM 720 N ARG A 44 35.419 24.391 18.728 1.00 0.00 N ATOM 721 CA ARG A 44 34.116 24.627 18.053 1.00 0.00 C ATOM 722 C ARG A 44 33.184 25.442 18.946 1.00 0.00 C ATOM 723 O ARG A 44 32.794 26.552 18.588 1.00 0.00 O ATOM 724 CB ARG A 44 33.408 23.319 17.645 1.00 0.00 C ATOM 725 CG ARG A 44 34.179 22.461 16.636 1.00 0.00 C ATOM 726 CD ARG A 44 33.435 21.172 16.294 1.00 0.00 C ATOM 727 NE ARG A 44 32.197 21.439 15.561 1.00 0.00 N ATOM 728 CZ ARG A 44 30.957 21.248 15.955 1.00 0.00 C ATOM 729 NH1 ARG A 44 30.712 20.788 17.145 1.00 0.00 N ATOM 730 NH2 ARG A 44 29.968 21.502 15.154 1.00 0.00 N ATOM 0 H ARG A 44 35.642 23.406 18.870 1.00 0.00 H new ATOM 0 HA ARG A 44 34.343 25.183 17.143 1.00 0.00 H new ATOM 0 HB2 ARG A 44 33.226 22.726 18.541 1.00 0.00 H new ATOM 0 HB3 ARG A 44 32.434 23.566 17.222 1.00 0.00 H new ATOM 0 HG2 ARG A 44 34.346 23.035 15.725 1.00 0.00 H new ATOM 0 HG3 ARG A 44 35.160 22.216 17.043 1.00 0.00 H new ATOM 0 HD2 ARG A 44 34.080 20.527 15.696 1.00 0.00 H new ATOM 0 HD3 ARG A 44 33.205 20.630 17.212 1.00 0.00 H new ATOM 0 HE ARG A 44 32.311 21.823 14.623 1.00 0.00 H new ATOM 0 HH11 ARG A 44 31.483 20.574 17.778 1.00 0.00 H new ATOM 0 HH12 ARG A 44 29.749 20.641 17.447 1.00 0.00 H new ATOM 0 HH21 ARG A 44 30.150 21.852 14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 44 29.008 21.352 15.465 1.00 0.00 H new ATOM 744 N SER A 45 32.906 24.916 20.137 1.00 0.00 N ATOM 745 CA SER A 45 32.084 25.573 21.158 1.00 0.00 C ATOM 746 C SER A 45 32.631 26.967 21.515 1.00 0.00 C ATOM 747 O SER A 45 31.917 27.950 21.344 1.00 0.00 O ATOM 748 CB SER A 45 31.950 24.655 22.377 1.00 0.00 C ATOM 749 OG SER A 45 33.213 24.181 22.803 1.00 0.00 O ATOM 0 H SER A 45 33.252 24.002 20.428 1.00 0.00 H new ATOM 0 HA SER A 45 31.084 25.744 20.758 1.00 0.00 H new ATOM 0 HB2 SER A 45 31.468 25.196 23.191 1.00 0.00 H new ATOM 0 HB3 SER A 45 31.306 23.811 22.130 1.00 0.00 H new ATOM 0 HG SER A 45 33.471 23.406 22.262 1.00 0.00 H new ATOM 755 N ILE A 46 33.916 27.105 21.870 1.00 0.00 N ATOM 756 CA ILE A 46 34.558 28.420 22.106 1.00 0.00 C ATOM 757 C ILE A 46 34.441 29.396 20.915 1.00 0.00 C ATOM 758 O ILE A 46 34.224 30.584 21.150 1.00 0.00 O ATOM 759 CB ILE A 46 36.026 28.226 22.563 1.00 0.00 C ATOM 760 CG1 ILE A 46 36.098 27.678 24.012 1.00 0.00 C ATOM 761 CG2 ILE A 46 36.928 29.460 22.421 1.00 0.00 C ATOM 762 CD1 ILE A 46 35.655 28.621 25.131 1.00 0.00 C ATOM 0 H ILE A 46 34.545 26.313 22.003 1.00 0.00 H new ATOM 0 HA ILE A 46 34.003 28.902 22.911 1.00 0.00 H new ATOM 0 HB ILE A 46 36.426 27.491 21.865 1.00 0.00 H new ATOM 0 HG12 ILE A 46 35.486 26.778 24.065 1.00 0.00 H new ATOM 0 HG13 ILE A 46 37.127 27.376 24.210 1.00 0.00 H new ATOM 0 HG21 ILE A 46 37.933 29.218 22.768 1.00 0.00 H new ATOM 0 HG22 ILE A 46 36.968 29.763 21.375 1.00 0.00 H new ATOM 0 HG23 ILE A 46 36.524 30.277 23.020 1.00 0.00 H new ATOM 0 HD11 ILE A 46 35.754 28.117 26.092 1.00 0.00 H new ATOM 0 HD12 ILE A 46 36.280 29.514 25.123 1.00 0.00 H new ATOM 0 HD13 ILE A 46 34.614 28.906 24.976 1.00 0.00 H new ATOM 774 N LYS A 47 34.531 28.953 19.649 1.00 0.00 N ATOM 775 CA LYS A 47 34.385 29.847 18.479 1.00 0.00 C ATOM 776 C LYS A 47 32.944 30.341 18.346 1.00 0.00 C ATOM 777 O LYS A 47 32.722 31.542 18.205 1.00 0.00 O ATOM 778 CB LYS A 47 34.902 29.165 17.196 1.00 0.00 C ATOM 779 CG LYS A 47 34.759 29.986 15.894 1.00 0.00 C ATOM 780 CD LYS A 47 35.273 31.435 15.983 1.00 0.00 C ATOM 781 CE LYS A 47 35.333 32.145 14.622 1.00 0.00 C ATOM 782 NZ LYS A 47 36.553 31.782 13.864 1.00 0.00 N1+ ATOM 0 H LYS A 47 34.705 27.978 19.406 1.00 0.00 H new ATOM 0 HA LYS A 47 35.005 30.729 18.635 1.00 0.00 H new ATOM 0 HB2 LYS A 47 35.955 28.921 17.336 1.00 0.00 H new ATOM 0 HB3 LYS A 47 34.371 28.222 17.069 1.00 0.00 H new ATOM 0 HG2 LYS A 47 35.297 29.473 15.097 1.00 0.00 H new ATOM 0 HG3 LYS A 47 33.708 30.006 15.607 1.00 0.00 H new ATOM 0 HD2 LYS A 47 34.626 32.002 16.652 1.00 0.00 H new ATOM 0 HD3 LYS A 47 36.268 31.433 16.428 1.00 0.00 H new ATOM 0 HE2 LYS A 47 34.451 31.884 14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 47 35.307 33.224 14.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 36.556 32.281 12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 37.395 32.054 14.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 36.565 30.756 13.697 1.00 0.00 H new ATOM 796 N LYS A 48 31.963 29.449 18.497 1.00 0.00 N ATOM 797 CA LYS A 48 30.539 29.812 18.584 1.00 0.00 C ATOM 798 C LYS A 48 30.271 30.781 19.740 1.00 0.00 C ATOM 799 O LYS A 48 29.493 31.716 19.599 1.00 0.00 O ATOM 800 CB LYS A 48 29.720 28.526 18.751 1.00 0.00 C ATOM 801 CG LYS A 48 29.740 27.663 17.479 1.00 0.00 C ATOM 802 CD LYS A 48 29.003 26.339 17.697 1.00 0.00 C ATOM 803 CE LYS A 48 27.487 26.547 17.748 1.00 0.00 C ATOM 804 NZ LYS A 48 26.790 25.253 17.846 1.00 0.00 N1+ ATOM 0 H LYS A 48 32.131 28.445 18.563 1.00 0.00 H new ATOM 0 HA LYS A 48 30.245 30.327 17.669 1.00 0.00 H new ATOM 0 HB2 LYS A 48 30.116 27.949 19.587 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.690 28.782 19.000 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.276 28.210 16.658 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.771 27.464 17.187 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.250 25.646 16.893 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.341 25.881 18.627 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.229 27.171 18.603 1.00 0.00 H new ATOM 0 HE3 LYS A 48 27.157 27.077 16.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 25.763 25.414 17.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 27.022 24.670 17.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 27.092 24.761 18.711 1.00 0.00 H new ATOM 818 N PHE A 49 30.958 30.620 20.867 1.00 0.00 N ATOM 819 CA PHE A 49 30.845 31.515 22.019 1.00 0.00 C ATOM 820 C PHE A 49 31.468 32.905 21.826 1.00 0.00 C ATOM 821 O PHE A 49 31.091 33.808 22.572 1.00 0.00 O ATOM 822 CB PHE A 49 31.418 30.815 23.249 1.00 0.00 C ATOM 823 CG PHE A 49 30.762 29.518 23.674 1.00 0.00 C ATOM 824 CD1 PHE A 49 29.422 29.230 23.337 1.00 0.00 C ATOM 825 CD2 PHE A 49 31.518 28.581 24.404 1.00 0.00 C ATOM 826 CE1 PHE A 49 28.841 28.021 23.733 1.00 0.00 C ATOM 827 CE2 PHE A 49 30.949 27.351 24.772 1.00 0.00 C ATOM 828 CZ PHE A 49 29.608 27.092 24.447 1.00 0.00 C ATOM 0 H PHE A 49 31.618 29.855 21.010 1.00 0.00 H new ATOM 0 HA PHE A 49 29.783 31.719 22.152 1.00 0.00 H new ATOM 0 HB2 PHE A 49 32.473 30.615 23.063 1.00 0.00 H new ATOM 0 HB3 PHE A 49 31.368 31.510 24.087 1.00 0.00 H new ATOM 0 HD1 PHE A 49 28.843 29.946 22.772 1.00 0.00 H new ATOM 0 HD2 PHE A 49 32.537 28.808 24.681 1.00 0.00 H new ATOM 0 HE1 PHE A 49 27.811 27.806 23.490 1.00 0.00 H new ATOM 0 HE2 PHE A 49 31.536 26.613 25.299 1.00 0.00 H new ATOM 0 HZ PHE A 49 29.159 26.159 24.753 1.00 0.00 H new ATOM 838 N LEU A 50 32.320 33.125 20.814 1.00 0.00 N ATOM 839 CA LEU A 50 32.695 34.481 20.386 1.00 0.00 C ATOM 840 C LEU A 50 31.485 35.222 19.796 1.00 0.00 C ATOM 841 O LEU A 50 31.255 36.387 20.106 1.00 0.00 O ATOM 842 CB LEU A 50 33.829 34.460 19.349 1.00 0.00 C ATOM 843 CG LEU A 50 35.093 33.670 19.741 1.00 0.00 C ATOM 844 CD1 LEU A 50 36.184 33.914 18.701 1.00 0.00 C ATOM 845 CD2 LEU A 50 35.681 34.067 21.090 1.00 0.00 C ATOM 0 H LEU A 50 32.763 32.380 20.276 1.00 0.00 H new ATOM 0 HA LEU A 50 33.047 35.006 21.274 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.438 34.042 18.421 1.00 0.00 H new ATOM 0 HB3 LEU A 50 34.120 35.489 19.138 1.00 0.00 H new ATOM 0 HG LEU A 50 34.780 32.627 19.797 1.00 0.00 H new ATOM 0 HD11 LEU A 50 37.080 33.357 18.975 1.00 0.00 H new ATOM 0 HD12 LEU A 50 35.835 33.582 17.723 1.00 0.00 H new ATOM 0 HD13 LEU A 50 36.417 34.978 18.661 1.00 0.00 H new ATOM 0 HD21 LEU A 50 36.567 33.465 21.292 1.00 0.00 H new ATOM 0 HD22 LEU A 50 35.955 35.122 21.071 1.00 0.00 H new ATOM 0 HD23 LEU A 50 34.942 33.898 21.873 1.00 0.00 H new ATOM 857 N GLU A 51 30.657 34.539 18.999 1.00 0.00 N ATOM 858 CA GLU A 51 29.394 35.101 18.494 1.00 0.00 C ATOM 859 C GLU A 51 28.359 35.322 19.616 1.00 0.00 C ATOM 860 O GLU A 51 27.468 36.163 19.484 1.00 0.00 O ATOM 861 CB GLU A 51 28.803 34.190 17.399 1.00 0.00 C ATOM 862 CG GLU A 51 29.644 34.140 16.117 1.00 0.00 C ATOM 863 CD GLU A 51 29.043 33.163 15.100 1.00 0.00 C ATOM 864 OE1 GLU A 51 28.111 32.410 15.473 1.00 0.00 O ATOM 865 OE2 GLU A 51 29.476 33.162 13.926 1.00 0.00 O ATOM 0 H GLU A 51 30.839 33.586 18.685 1.00 0.00 H new ATOM 0 HA GLU A 51 29.625 36.078 18.069 1.00 0.00 H new ATOM 0 HB2 GLU A 51 28.701 33.180 17.795 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.800 34.538 17.152 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.703 35.136 15.678 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.663 33.837 16.358 1.00 0.00 H new ATOM 872 N LEU A 52 28.480 34.602 20.737 1.00 0.00 N ATOM 873 CA LEU A 52 27.713 34.863 21.964 1.00 0.00 C ATOM 874 C LEU A 52 28.331 35.962 22.851 1.00 0.00 C ATOM 875 O LEU A 52 27.705 36.380 23.819 1.00 0.00 O ATOM 876 CB LEU A 52 27.494 33.561 22.758 1.00 0.00 C ATOM 877 CG LEU A 52 26.872 32.396 21.955 1.00 0.00 C ATOM 878 CD1 LEU A 52 26.349 31.326 22.903 1.00 0.00 C ATOM 879 CD2 LEU A 52 25.679 32.804 21.082 1.00 0.00 C ATOM 0 H LEU A 52 29.120 33.812 20.820 1.00 0.00 H new ATOM 0 HA LEU A 52 26.744 35.248 21.646 1.00 0.00 H new ATOM 0 HB2 LEU A 52 28.453 33.233 23.159 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.850 33.778 23.610 1.00 0.00 H new ATOM 0 HG LEU A 52 27.678 32.041 21.313 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.913 30.510 22.326 1.00 0.00 H new ATOM 0 HD12 LEU A 52 27.171 30.943 23.509 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.588 31.757 23.554 1.00 0.00 H new ATOM 0 HD21 LEU A 52 25.301 31.930 20.552 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.891 33.216 21.712 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.997 33.557 20.361 1.00 0.00 H new ATOM 891 N GLN A 53 29.551 36.422 22.550 1.00 0.00 N ATOM 892 CA GLN A 53 30.389 37.279 23.409 1.00 0.00 C ATOM 893 C GLN A 53 30.735 36.653 24.778 1.00 0.00 C ATOM 894 O GLN A 53 31.213 37.336 25.689 1.00 0.00 O ATOM 895 CB GLN A 53 29.776 38.681 23.578 1.00 0.00 C ATOM 896 CG GLN A 53 29.091 39.260 22.332 1.00 0.00 C ATOM 897 CD GLN A 53 28.717 40.730 22.522 1.00 0.00 C ATOM 898 OE1 GLN A 53 29.413 41.509 23.157 1.00 0.00 O ATOM 899 NE2 GLN A 53 27.597 41.172 21.995 1.00 0.00 N ATOM 0 H GLN A 53 30.004 36.200 21.664 1.00 0.00 H new ATOM 0 HA GLN A 53 31.337 37.376 22.881 1.00 0.00 H new ATOM 0 HB2 GLN A 53 29.047 38.644 24.387 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.564 39.367 23.890 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.755 39.162 21.473 1.00 0.00 H new ATOM 0 HG3 GLN A 53 28.194 38.682 22.109 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.000 40.540 21.461 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.325 42.147 22.120 1.00 0.00 H new ATOM 908 N TYR A 54 30.471 35.355 24.963 1.00 0.00 N ATOM 909 CA TYR A 54 30.624 34.680 26.256 1.00 0.00 C ATOM 910 C TYR A 54 32.082 34.405 26.616 1.00 0.00 C ATOM 911 O TYR A 54 32.431 34.320 27.792 1.00 0.00 O ATOM 912 CB TYR A 54 29.819 33.375 26.287 1.00 0.00 C ATOM 913 CG TYR A 54 28.307 33.483 26.218 1.00 0.00 C ATOM 914 CD1 TYR A 54 27.640 34.718 26.314 1.00 0.00 C ATOM 915 CD2 TYR A 54 27.557 32.304 26.061 1.00 0.00 C ATOM 916 CE1 TYR A 54 26.241 34.779 26.234 1.00 0.00 C ATOM 917 CE2 TYR A 54 26.150 32.351 26.024 1.00 0.00 C ATOM 918 CZ TYR A 54 25.490 33.595 26.087 1.00 0.00 C ATOM 919 OH TYR A 54 24.136 33.660 25.997 1.00 0.00 O ATOM 0 H TYR A 54 30.144 34.741 24.217 1.00 0.00 H new ATOM 0 HA TYR A 54 30.233 35.366 27.008 1.00 0.00 H new ATOM 0 HB2 TYR A 54 30.150 32.755 25.454 1.00 0.00 H new ATOM 0 HB3 TYR A 54 30.077 32.842 27.202 1.00 0.00 H new ATOM 0 HD1 TYR A 54 28.209 35.626 26.450 1.00 0.00 H new ATOM 0 HD2 TYR A 54 28.064 31.355 25.968 1.00 0.00 H new ATOM 0 HE1 TYR A 54 25.739 35.734 26.285 1.00 0.00 H new ATOM 0 HE2 TYR A 54 25.579 31.438 25.948 1.00 0.00 H new ATOM 0 HH TYR A 54 23.771 32.756 25.898 1.00 0.00 H new ATOM 929 N VAL A 55 32.925 34.305 25.597 1.00 0.00 N ATOM 930 CA VAL A 55 34.382 34.273 25.686 1.00 0.00 C ATOM 931 C VAL A 55 34.964 35.169 24.591 1.00 0.00 C ATOM 932 O VAL A 55 34.272 35.505 23.629 1.00 0.00 O ATOM 933 CB VAL A 55 34.945 32.841 25.569 1.00 0.00 C ATOM 934 CG1 VAL A 55 34.514 31.922 26.718 1.00 0.00 C ATOM 935 CG2 VAL A 55 34.585 32.180 24.241 1.00 0.00 C ATOM 0 H VAL A 55 32.595 34.240 24.634 1.00 0.00 H new ATOM 0 HA VAL A 55 34.673 34.643 26.669 1.00 0.00 H new ATOM 0 HB VAL A 55 36.026 32.969 25.624 1.00 0.00 H new ATOM 0 HG11 VAL A 55 34.945 30.931 26.573 1.00 0.00 H new ATOM 0 HG12 VAL A 55 34.863 32.335 27.665 1.00 0.00 H new ATOM 0 HG13 VAL A 55 33.427 31.846 26.735 1.00 0.00 H new ATOM 0 HG21 VAL A 55 35.005 31.175 24.209 1.00 0.00 H new ATOM 0 HG22 VAL A 55 33.501 32.124 24.145 1.00 0.00 H new ATOM 0 HG23 VAL A 55 34.992 32.769 23.419 1.00 0.00 H new ATOM 945 N LYS A 56 36.241 35.533 24.724 1.00 0.00 N ATOM 946 CA LYS A 56 36.964 36.419 23.802 1.00 0.00 C ATOM 947 C LYS A 56 38.311 35.801 23.431 1.00 0.00 C ATOM 948 O LYS A 56 38.996 35.217 24.268 1.00 0.00 O ATOM 949 CB LYS A 56 37.069 37.791 24.473 1.00 0.00 C ATOM 950 CG LYS A 56 37.237 39.012 23.555 1.00 0.00 C ATOM 951 CD LYS A 56 38.692 39.320 23.189 1.00 0.00 C ATOM 952 CE LYS A 56 38.780 40.742 22.633 1.00 0.00 C ATOM 953 NZ LYS A 56 40.163 41.272 22.676 1.00 0.00 N1+ ATOM 0 H LYS A 56 36.820 35.211 25.499 1.00 0.00 H new ATOM 0 HA LYS A 56 36.438 36.547 22.856 1.00 0.00 H new ATOM 0 HB2 LYS A 56 36.173 37.942 25.075 1.00 0.00 H new ATOM 0 HB3 LYS A 56 37.914 37.767 25.161 1.00 0.00 H new ATOM 0 HG2 LYS A 56 36.670 38.846 22.639 1.00 0.00 H new ATOM 0 HG3 LYS A 56 36.804 39.884 24.044 1.00 0.00 H new ATOM 0 HD2 LYS A 56 39.330 39.220 24.067 1.00 0.00 H new ATOM 0 HD3 LYS A 56 39.053 38.605 22.450 1.00 0.00 H new ATOM 0 HE2 LYS A 56 38.420 40.752 21.604 1.00 0.00 H new ATOM 0 HE3 LYS A 56 38.123 41.396 23.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 40.177 42.238 22.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 40.498 41.288 23.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 40.786 40.663 22.108 1.00 0.00 H new ATOM 967 N GLU A 57 38.658 35.900 22.152 1.00 0.00 N ATOM 968 CA GLU A 57 39.875 35.331 21.558 1.00 0.00 C ATOM 969 C GLU A 57 41.092 36.244 21.772 1.00 0.00 C ATOM 970 O GLU A 57 40.990 37.457 21.599 1.00 0.00 O ATOM 971 CB GLU A 57 39.614 35.065 20.060 1.00 0.00 C ATOM 972 CG GLU A 57 40.823 34.480 19.311 1.00 0.00 C ATOM 973 CD GLU A 57 40.575 34.306 17.800 1.00 0.00 C ATOM 974 OE1 GLU A 57 41.252 34.977 16.985 1.00 0.00 O ATOM 975 OE2 GLU A 57 39.735 33.468 17.390 1.00 0.00 O ATOM 0 H GLU A 57 38.082 36.396 21.471 1.00 0.00 H new ATOM 0 HA GLU A 57 40.114 34.390 22.054 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.773 34.379 19.964 1.00 0.00 H new ATOM 0 HB3 GLU A 57 39.320 35.999 19.581 1.00 0.00 H new ATOM 0 HG2 GLU A 57 41.684 35.132 19.459 1.00 0.00 H new ATOM 0 HG3 GLU A 57 41.078 33.513 19.745 1.00 0.00 H new ATOM 1076 N LYS A 65 48.172 32.830 22.278 1.00 0.00 N ATOM 1077 CA LYS A 65 46.835 33.356 22.625 1.00 0.00 C ATOM 1078 C LYS A 65 46.220 32.663 23.840 1.00 0.00 C ATOM 1079 O LYS A 65 46.831 31.819 24.492 1.00 0.00 O ATOM 1080 CB LYS A 65 45.942 33.269 21.367 1.00 0.00 C ATOM 1081 CG LYS A 65 45.520 31.843 20.996 1.00 0.00 C ATOM 1082 CD LYS A 65 44.948 31.851 19.568 1.00 0.00 C ATOM 1083 CE LYS A 65 44.367 30.517 19.095 1.00 0.00 C ATOM 1084 NZ LYS A 65 45.343 29.402 19.113 1.00 0.00 N1+ ATOM 0 HA LYS A 65 46.926 34.398 22.931 1.00 0.00 H new ATOM 0 HB2 LYS A 65 45.048 33.871 21.527 1.00 0.00 H new ATOM 0 HB3 LYS A 65 46.476 33.709 20.525 1.00 0.00 H new ATOM 0 HG2 LYS A 65 46.374 31.169 21.057 1.00 0.00 H new ATOM 0 HG3 LYS A 65 44.773 31.475 21.700 1.00 0.00 H new ATOM 0 HD2 LYS A 65 44.168 32.610 19.510 1.00 0.00 H new ATOM 0 HD3 LYS A 65 45.737 32.151 18.879 1.00 0.00 H new ATOM 0 HE2 LYS A 65 43.519 30.256 19.728 1.00 0.00 H new ATOM 0 HE3 LYS A 65 43.984 30.637 18.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 44.881 28.531 18.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 46.142 29.630 18.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 45.691 29.261 20.083 1.00 0.00 H new ATOM 1098 N THR A 66 44.980 33.051 24.121 1.00 0.00 N ATOM 1099 CA THR A 66 44.145 32.554 25.213 1.00 0.00 C ATOM 1100 C THR A 66 42.675 32.653 24.839 1.00 0.00 C ATOM 1101 O THR A 66 42.342 33.308 23.845 1.00 0.00 O ATOM 1102 CB THR A 66 44.410 33.378 26.480 1.00 0.00 C ATOM 1103 OG1 THR A 66 43.752 32.742 27.542 1.00 0.00 O ATOM 1104 CG2 THR A 66 43.968 34.859 26.391 1.00 0.00 C ATOM 0 H THR A 66 44.503 33.759 23.563 1.00 0.00 H new ATOM 0 HA THR A 66 44.393 31.509 25.399 1.00 0.00 H new ATOM 0 HB THR A 66 45.489 33.418 26.626 1.00 0.00 H new ATOM 0 HG1 THR A 66 44.065 33.116 28.392 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.194 35.363 27.331 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.503 35.350 25.578 1.00 0.00 H new ATOM 0 HG23 THR A 66 42.896 34.908 26.202 1.00 0.00 H new ATOM 1112 N PHE A 67 41.815 32.087 25.683 1.00 0.00 N ATOM 1113 CA PHE A 67 40.389 32.406 25.705 1.00 0.00 C ATOM 1114 C PHE A 67 39.969 32.691 27.157 1.00 0.00 C ATOM 1115 O PHE A 67 40.180 31.867 28.048 1.00 0.00 O ATOM 1116 CB PHE A 67 39.586 31.303 24.987 1.00 0.00 C ATOM 1117 CG PHE A 67 39.966 31.167 23.516 1.00 0.00 C ATOM 1118 CD1 PHE A 67 41.179 30.542 23.157 1.00 0.00 C ATOM 1119 CD2 PHE A 67 39.183 31.768 22.510 1.00 0.00 C ATOM 1120 CE1 PHE A 67 41.670 30.642 21.846 1.00 0.00 C ATOM 1121 CE2 PHE A 67 39.614 31.743 21.172 1.00 0.00 C ATOM 1122 CZ PHE A 67 40.877 31.224 20.844 1.00 0.00 C ATOM 0 H PHE A 67 42.090 31.390 26.375 1.00 0.00 H new ATOM 0 HA PHE A 67 40.168 33.314 25.143 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.752 30.351 25.491 1.00 0.00 H new ATOM 0 HB3 PHE A 67 38.521 31.524 25.065 1.00 0.00 H new ATOM 0 HD1 PHE A 67 41.733 29.983 23.896 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.251 32.248 22.767 1.00 0.00 H new ATOM 0 HE1 PHE A 67 42.656 30.272 21.608 1.00 0.00 H new ATOM 0 HE2 PHE A 67 38.971 32.125 20.393 1.00 0.00 H new ATOM 0 HZ PHE A 67 41.236 31.272 19.827 1.00 0.00 H new ATOM 1132 N TYR A 68 39.412 33.874 27.357 1.00 0.00 N ATOM 1133 CA TYR A 68 38.865 34.286 28.659 1.00 0.00 C ATOM 1134 C TYR A 68 37.388 34.658 28.525 1.00 0.00 C ATOM 1135 O TYR A 68 36.862 34.786 27.420 1.00 0.00 O ATOM 1136 CB TYR A 68 39.664 35.446 29.284 1.00 0.00 C ATOM 1137 CG TYR A 68 39.456 36.776 28.591 1.00 0.00 C ATOM 1138 CD1 TYR A 68 38.393 37.620 28.977 1.00 0.00 C ATOM 1139 CD2 TYR A 68 40.293 37.133 27.515 1.00 0.00 C ATOM 1140 CE1 TYR A 68 38.131 38.781 28.231 1.00 0.00 C ATOM 1141 CE2 TYR A 68 40.045 38.313 26.791 1.00 0.00 C ATOM 1142 CZ TYR A 68 38.942 39.123 27.132 1.00 0.00 C ATOM 1143 OH TYR A 68 38.620 40.201 26.378 1.00 0.00 O ATOM 0 H TYR A 68 39.322 34.582 26.628 1.00 0.00 H new ATOM 0 HA TYR A 68 38.955 33.434 29.333 1.00 0.00 H new ATOM 0 HB2 TYR A 68 39.382 35.545 30.332 1.00 0.00 H new ATOM 0 HB3 TYR A 68 40.725 35.197 29.261 1.00 0.00 H new ATOM 0 HD1 TYR A 68 37.787 37.376 29.837 1.00 0.00 H new ATOM 0 HD2 TYR A 68 41.126 36.500 27.246 1.00 0.00 H new ATOM 0 HE1 TYR A 68 37.301 39.416 28.503 1.00 0.00 H new ATOM 0 HE2 TYR A 68 40.696 38.597 25.978 1.00 0.00 H new ATOM 0 HH TYR A 68 39.431 40.569 25.970 1.00 0.00 H new ATOM 1153 N ILE A 69 36.734 34.831 29.717 1.00 0.00 N ATOM 1154 CA ILE A 69 35.306 35.097 29.844 1.00 0.00 C ATOM 1155 C ILE A 69 35.063 36.614 29.892 1.00 0.00 C ATOM 1156 O ILE A 69 35.363 37.255 30.899 1.00 0.00 O ATOM 1157 CB ILE A 69 34.739 34.398 31.104 1.00 0.00 C ATOM 1158 CG1 ILE A 69 35.175 32.925 31.317 1.00 0.00 C ATOM 1159 CG2 ILE A 69 33.206 34.439 31.033 1.00 0.00 C ATOM 1160 CD1 ILE A 69 36.576 32.743 31.937 1.00 0.00 C ATOM 0 H ILE A 69 37.213 34.784 30.616 1.00 0.00 H new ATOM 0 HA ILE A 69 34.785 34.693 28.976 1.00 0.00 H new ATOM 0 HB ILE A 69 35.150 34.950 31.949 1.00 0.00 H new ATOM 0 HG12 ILE A 69 34.443 32.435 31.959 1.00 0.00 H new ATOM 0 HG13 ILE A 69 35.150 32.412 30.356 1.00 0.00 H new ATOM 0 HG21 ILE A 69 32.788 33.951 31.913 1.00 0.00 H new ATOM 0 HG22 ILE A 69 32.871 35.476 31.000 1.00 0.00 H new ATOM 0 HG23 ILE A 69 32.869 33.920 30.136 1.00 0.00 H new ATOM 0 HD11 ILE A 69 36.790 31.680 32.046 1.00 0.00 H new ATOM 0 HD12 ILE A 69 37.323 33.199 31.287 1.00 0.00 H new ATOM 0 HD13 ILE A 69 36.606 33.222 32.916 1.00 0.00 H new ATOM 1172 N THR A 70 34.536 37.222 28.828 1.00 0.00 N ATOM 1173 CA THR A 70 34.071 38.622 28.821 1.00 0.00 C ATOM 1174 C THR A 70 32.781 38.776 29.659 1.00 0.00 C ATOM 1175 O THR A 70 32.070 37.787 29.879 1.00 0.00 O ATOM 1176 CB THR A 70 33.831 39.132 27.375 1.00 0.00 C ATOM 1177 OG1 THR A 70 33.344 38.143 26.486 1.00 0.00 O ATOM 1178 CG2 THR A 70 35.129 39.650 26.759 1.00 0.00 C ATOM 0 H THR A 70 34.416 36.754 27.930 1.00 0.00 H new ATOM 0 HA THR A 70 34.857 39.229 29.270 1.00 0.00 H new ATOM 0 HB THR A 70 33.080 39.914 27.488 1.00 0.00 H new ATOM 0 HG1 THR A 70 32.367 38.202 26.435 1.00 0.00 H new ATOM 0 HG21 THR A 70 34.936 40.002 25.746 1.00 0.00 H new ATOM 0 HG22 THR A 70 35.515 40.472 27.361 1.00 0.00 H new ATOM 0 HG23 THR A 70 35.864 38.846 26.730 1.00 0.00 H new ATOM 1186 N PRO A 71 32.402 39.973 30.117 1.00 0.00 N ATOM 1187 CA PRO A 71 31.260 40.168 31.024 1.00 0.00 C ATOM 1188 C PRO A 71 29.932 39.668 30.447 1.00 0.00 C ATOM 1189 O PRO A 71 29.148 39.068 31.180 1.00 0.00 O ATOM 1190 CB PRO A 71 31.221 41.666 31.338 1.00 0.00 C ATOM 1191 CG PRO A 71 31.868 42.280 30.101 1.00 0.00 C ATOM 1192 CD PRO A 71 32.974 41.272 29.785 1.00 0.00 C ATOM 0 HA PRO A 71 31.393 39.573 31.927 1.00 0.00 H new ATOM 0 HB2 PRO A 71 30.202 42.024 31.483 1.00 0.00 H new ATOM 0 HB3 PRO A 71 31.774 41.905 32.246 1.00 0.00 H new ATOM 0 HG2 PRO A 71 31.160 42.380 29.278 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.267 43.274 30.301 1.00 0.00 H new ATOM 0 HD2 PRO A 71 33.264 41.320 28.735 1.00 0.00 H new ATOM 0 HD3 PRO A 71 33.870 41.471 30.373 1.00 0.00 H new ATOM 1200 N ASN A 72 29.727 39.802 29.133 1.00 0.00 N ATOM 1201 CA ASN A 72 28.543 39.301 28.433 1.00 0.00 C ATOM 1202 C ASN A 72 28.294 37.793 28.634 1.00 0.00 C ATOM 1203 O ASN A 72 27.151 37.350 28.542 1.00 0.00 O ATOM 1204 CB ASN A 72 28.700 39.577 26.934 1.00 0.00 C ATOM 1205 CG ASN A 72 28.825 41.043 26.591 1.00 0.00 C ATOM 1206 OD1 ASN A 72 29.872 41.653 26.765 1.00 0.00 O ATOM 1207 ND2 ASN A 72 27.761 41.646 26.125 1.00 0.00 N ATOM 0 H ASN A 72 30.391 40.270 28.517 1.00 0.00 H new ATOM 0 HA ASN A 72 27.685 39.823 28.856 1.00 0.00 H new ATOM 0 HB2 ASN A 72 29.582 39.052 26.568 1.00 0.00 H new ATOM 0 HB3 ASN A 72 27.841 39.162 26.406 1.00 0.00 H new ATOM 0 HD21 ASN A 72 27.796 42.640 25.900 1.00 0.00 H new ATOM 0 HD22 ASN A 72 26.897 41.122 25.986 1.00 0.00 H new ATOM 1214 N GLY A 73 29.344 37.005 28.902 1.00 0.00 N ATOM 1215 CA GLY A 73 29.227 35.605 29.314 1.00 0.00 C ATOM 1216 C GLY A 73 29.082 35.443 30.814 1.00 0.00 C ATOM 1217 O GLY A 73 28.183 34.723 31.250 1.00 0.00 O ATOM 0 H GLY A 73 30.309 37.329 28.837 1.00 0.00 H new ATOM 0 HA2 GLY A 73 28.365 35.157 28.820 1.00 0.00 H new ATOM 0 HA3 GLY A 73 30.107 35.057 28.978 1.00 0.00 H new ATOM 1221 N ILE A 74 29.925 36.130 31.598 1.00 0.00 N ATOM 1222 CA ILE A 74 29.947 36.052 33.065 1.00 0.00 C ATOM 1223 C ILE A 74 28.544 36.234 33.634 1.00 0.00 C ATOM 1224 O ILE A 74 28.116 35.396 34.417 1.00 0.00 O ATOM 1225 CB ILE A 74 30.906 37.082 33.696 1.00 0.00 C ATOM 1226 CG1 ILE A 74 32.349 36.754 33.278 1.00 0.00 C ATOM 1227 CG2 ILE A 74 30.787 37.095 35.230 1.00 0.00 C ATOM 1228 CD1 ILE A 74 33.330 37.895 33.506 1.00 0.00 C ATOM 0 H ILE A 74 30.625 36.769 31.222 1.00 0.00 H new ATOM 0 HA ILE A 74 30.317 35.059 33.320 1.00 0.00 H new ATOM 0 HB ILE A 74 30.634 38.074 33.337 1.00 0.00 H new ATOM 0 HG12 ILE A 74 32.688 35.880 33.833 1.00 0.00 H new ATOM 0 HG13 ILE A 74 32.359 36.485 32.222 1.00 0.00 H new ATOM 0 HG21 ILE A 74 31.476 37.832 35.642 1.00 0.00 H new ATOM 0 HG22 ILE A 74 29.767 37.354 35.514 1.00 0.00 H new ATOM 0 HG23 ILE A 74 31.033 36.108 35.622 1.00 0.00 H new ATOM 0 HD11 ILE A 74 34.326 37.588 33.187 1.00 0.00 H new ATOM 0 HD12 ILE A 74 33.017 38.765 32.929 1.00 0.00 H new ATOM 0 HD13 ILE A 74 33.351 38.151 34.565 1.00 0.00 H new ATOM 1240 N GLU A 75 27.813 37.265 33.200 1.00 0.00 N ATOM 1241 CA GLU A 75 26.447 37.564 33.656 1.00 0.00 C ATOM 1242 C GLU A 75 25.496 36.371 33.500 1.00 0.00 C ATOM 1243 O GLU A 75 24.662 36.115 34.367 1.00 0.00 O ATOM 1244 CB GLU A 75 25.897 38.755 32.857 1.00 0.00 C ATOM 1245 CG GLU A 75 26.637 40.058 33.198 1.00 0.00 C ATOM 1246 CD GLU A 75 26.116 41.279 32.424 1.00 0.00 C ATOM 1247 OE1 GLU A 75 25.450 41.118 31.370 1.00 0.00 O ATOM 1248 OE2 GLU A 75 26.396 42.413 32.880 1.00 0.00 O ATOM 0 H GLU A 75 28.159 37.930 32.508 1.00 0.00 H new ATOM 0 HA GLU A 75 26.503 37.799 34.719 1.00 0.00 H new ATOM 0 HB2 GLU A 75 25.990 38.552 31.790 1.00 0.00 H new ATOM 0 HB3 GLU A 75 24.834 38.874 33.067 1.00 0.00 H new ATOM 0 HG2 GLU A 75 26.546 40.249 34.267 1.00 0.00 H new ATOM 0 HG3 GLU A 75 27.699 39.930 32.987 1.00 0.00 H new ATOM 1255 N LYS A 76 25.661 35.585 32.433 1.00 0.00 N ATOM 1256 CA LYS A 76 24.862 34.384 32.176 1.00 0.00 C ATOM 1257 C LYS A 76 25.274 33.258 33.131 1.00 0.00 C ATOM 1258 O LYS A 76 24.407 32.662 33.760 1.00 0.00 O ATOM 1259 CB LYS A 76 24.947 33.961 30.691 1.00 0.00 C ATOM 1260 CG LYS A 76 25.136 35.104 29.671 1.00 0.00 C ATOM 1261 CD LYS A 76 24.092 36.234 29.655 1.00 0.00 C ATOM 1262 CE LYS A 76 22.790 35.861 28.938 1.00 0.00 C ATOM 1263 NZ LYS A 76 21.862 37.010 28.819 1.00 0.00 N1+ ATOM 0 H LYS A 76 26.362 35.767 31.715 1.00 0.00 H new ATOM 0 HA LYS A 76 23.814 34.611 32.371 1.00 0.00 H new ATOM 0 HB2 LYS A 76 25.775 33.261 30.580 1.00 0.00 H new ATOM 0 HB3 LYS A 76 24.036 33.420 30.435 1.00 0.00 H new ATOM 0 HG2 LYS A 76 26.113 35.554 29.850 1.00 0.00 H new ATOM 0 HG3 LYS A 76 25.166 34.662 28.675 1.00 0.00 H new ATOM 0 HD2 LYS A 76 23.862 36.519 30.682 1.00 0.00 H new ATOM 0 HD3 LYS A 76 24.525 37.109 29.171 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.022 35.480 27.943 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.298 35.054 29.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.997 36.708 28.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.617 37.358 29.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 22.320 37.771 28.278 1.00 0.00 H new ATOM 1277 N LEU A 77 26.583 33.023 33.312 1.00 0.00 N ATOM 1278 CA LEU A 77 27.096 31.998 34.244 1.00 0.00 C ATOM 1279 C LEU A 77 26.754 32.314 35.708 1.00 0.00 C ATOM 1280 O LEU A 77 26.564 31.411 36.522 1.00 0.00 O ATOM 1281 CB LEU A 77 28.619 31.789 34.161 1.00 0.00 C ATOM 1282 CG LEU A 77 29.281 31.316 32.869 1.00 0.00 C ATOM 1283 CD1 LEU A 77 30.773 31.167 33.145 1.00 0.00 C ATOM 1284 CD2 LEU A 77 28.713 30.024 32.288 1.00 0.00 C ATOM 0 H LEU A 77 27.316 33.534 32.820 1.00 0.00 H new ATOM 0 HA LEU A 77 26.595 31.085 33.923 1.00 0.00 H new ATOM 0 HB2 LEU A 77 29.086 32.737 34.430 1.00 0.00 H new ATOM 0 HB3 LEU A 77 28.885 31.071 34.937 1.00 0.00 H new ATOM 0 HG LEU A 77 29.077 32.066 32.105 1.00 0.00 H new ATOM 0 HD11 LEU A 77 31.278 30.829 32.240 1.00 0.00 H new ATOM 0 HD12 LEU A 77 31.184 32.129 33.453 1.00 0.00 H new ATOM 0 HD13 LEU A 77 30.925 30.436 33.940 1.00 0.00 H new ATOM 0 HD21 LEU A 77 29.248 29.771 31.373 1.00 0.00 H new ATOM 0 HD22 LEU A 77 28.830 29.217 33.012 1.00 0.00 H new ATOM 0 HD23 LEU A 77 27.655 30.160 32.064 1.00 0.00 H new