USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 7 THR OG1 : rot -169:sc= 0.851 USER MOD Set 1.2: A 9 THR OG1 : rot 0:sc= 0.271 USER MOD Single : A 1 MET CE :methyl -153:sc= 0 (180deg=-0.388) USER MOD Single : A 1 MET N :NH3+ 144:sc= 1.08 (180deg=0.0773) USER MOD Single : A 2 GLN : amide:sc= -0.954 K(o=-0.95,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.025 (180deg=-0.454) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 1.06 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.264 USER MOD Single : A 25 ASN : amide:sc=-0.00998 K(o=-0.01,f=-0.7) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0576) USER MOD Single : A 29 LYS NZ :NH3+ 138:sc= -0.487 (180deg=-1.62!) USER MOD Single : A 31 GLN : amide:sc= -2.28! K(o=-2.3!,f=-0.74) USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= -0.0106 (180deg=-0.45) USER MOD Single : A 40 GLN : amide:sc= -0.786 K(o=-0.79,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= -2.65 K(o=-2.7,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.0275 (180deg=-0.459) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 11:sc= 0.994 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -100:sc= -0.512 USER MOD Single : A 60 ASN : amide:sc= 0.434 K(o=0.43,f=-4.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.114) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.974 31.196 2.517 1.00 0.00 N ATOM 2 CA MET A 1 31.918 32.578 3.068 1.00 0.00 C ATOM 3 C MET A 1 32.783 32.656 4.320 1.00 0.00 C ATOM 4 O MET A 1 33.251 31.635 4.826 1.00 0.00 O ATOM 5 CB MET A 1 30.468 32.931 3.417 1.00 0.00 C ATOM 6 CG MET A 1 29.894 31.888 4.381 1.00 0.00 C ATOM 7 SD MET A 1 28.133 32.227 4.657 1.00 0.00 S ATOM 8 CE MET A 1 27.937 31.288 6.193 1.00 0.00 C ATOM 0 H1 MET A 1 31.046 30.941 2.124 1.00 0.00 H new ATOM 0 H2 MET A 1 32.692 31.150 1.766 1.00 0.00 H new ATOM 0 H3 MET A 1 32.223 30.530 3.276 1.00 0.00 H new ATOM 0 HA MET A 1 32.290 33.284 2.326 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.425 33.921 3.871 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.866 32.970 2.509 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.023 30.887 3.970 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.434 31.916 5.328 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.903 30.958 6.288 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.595 30.419 6.175 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.195 31.921 7.042 1.00 0.00 H new ATOM 20 N GLN A 2 33.001 33.876 4.812 1.00 0.00 N ATOM 21 CA GLN A 2 33.817 34.088 6.006 1.00 0.00 C ATOM 22 C GLN A 2 32.966 34.651 7.140 1.00 0.00 C ATOM 23 O GLN A 2 32.005 35.386 6.905 1.00 0.00 O ATOM 24 CB GLN A 2 34.949 35.070 5.687 1.00 0.00 C ATOM 25 CG GLN A 2 34.365 36.347 5.078 1.00 0.00 C ATOM 26 CD GLN A 2 35.471 37.378 4.872 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.191 38.564 4.696 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.718 36.994 4.882 1.00 0.00 N ATOM 0 H GLN A 2 32.624 34.731 4.402 1.00 0.00 H new ATOM 0 HA GLN A 2 34.235 33.131 6.318 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.504 35.309 6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.655 34.614 4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 2 33.886 36.120 4.126 1.00 0.00 H new ATOM 0 HG3 GLN A 2 33.595 36.753 5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.948 36.011 5.028 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.463 37.677 4.744 1.00 0.00 H new ATOM 37 N ILE A 3 33.347 34.325 8.371 1.00 0.00 N ATOM 38 CA ILE A 3 32.640 34.824 9.549 1.00 0.00 C ATOM 39 C ILE A 3 33.595 34.941 10.720 1.00 0.00 C ATOM 40 O ILE A 3 34.726 34.461 10.664 1.00 0.00 O ATOM 41 CB ILE A 3 31.456 33.921 9.934 1.00 0.00 C ATOM 42 CG1 ILE A 3 31.911 32.448 10.007 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.324 34.088 8.907 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.701 31.510 9.956 1.00 0.00 C ATOM 0 H ILE A 3 34.140 33.719 8.580 1.00 0.00 H new ATOM 0 HA ILE A 3 32.243 35.808 9.298 1.00 0.00 H new ATOM 0 HB ILE A 3 31.085 34.213 10.917 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.585 32.228 9.179 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.471 32.279 10.927 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.486 33.447 9.182 1.00 0.00 H new ATOM 0 HG22 ILE A 3 29.996 35.128 8.892 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.686 33.808 7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.040 30.475 10.009 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.043 31.719 10.799 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.158 31.667 9.024 1.00 0.00 H new ATOM 56 N PHE A 4 33.132 35.586 11.781 1.00 0.00 N ATOM 57 CA PHE A 4 33.946 35.779 12.977 1.00 0.00 C ATOM 58 C PHE A 4 33.377 34.986 14.148 1.00 0.00 C ATOM 59 O PHE A 4 32.159 34.898 14.318 1.00 0.00 O ATOM 60 CB PHE A 4 33.963 37.263 13.353 1.00 0.00 C ATOM 61 CG PHE A 4 34.446 38.083 12.181 1.00 0.00 C ATOM 62 CD1 PHE A 4 33.544 38.479 11.186 1.00 0.00 C ATOM 63 CD2 PHE A 4 35.793 38.454 12.093 1.00 0.00 C ATOM 64 CE1 PHE A 4 33.989 39.247 10.103 1.00 0.00 C ATOM 65 CE2 PHE A 4 36.237 39.220 11.009 1.00 0.00 C ATOM 66 CZ PHE A 4 35.336 39.618 10.015 1.00 0.00 C ATOM 0 H PHE A 4 32.196 35.986 11.840 1.00 0.00 H new ATOM 0 HA PHE A 4 34.957 35.431 12.764 1.00 0.00 H new ATOM 0 HB2 PHE A 4 32.964 37.585 13.646 1.00 0.00 H new ATOM 0 HB3 PHE A 4 34.614 37.422 14.213 1.00 0.00 H new ATOM 0 HD1 PHE A 4 32.505 38.192 11.254 1.00 0.00 H new ATOM 0 HD2 PHE A 4 36.489 38.149 12.861 1.00 0.00 H new ATOM 0 HE1 PHE A 4 33.293 39.553 9.336 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.277 39.504 10.940 1.00 0.00 H new ATOM 0 HZ PHE A 4 35.680 40.211 9.180 1.00 0.00 H new ATOM 76 N VAL A 5 34.267 34.427 14.970 1.00 0.00 N ATOM 77 CA VAL A 5 33.857 33.663 16.146 1.00 0.00 C ATOM 78 C VAL A 5 34.378 34.359 17.393 1.00 0.00 C ATOM 79 O VAL A 5 35.563 34.676 17.499 1.00 0.00 O ATOM 80 CB VAL A 5 34.394 32.230 16.068 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.271 31.550 17.438 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.565 31.448 15.045 1.00 0.00 C ATOM 0 H VAL A 5 35.277 34.490 14.841 1.00 0.00 H new ATOM 0 HA VAL A 5 32.769 33.612 16.186 1.00 0.00 H new ATOM 0 HB VAL A 5 35.442 32.250 15.771 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.655 30.532 17.375 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.847 32.110 18.175 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.224 31.525 17.739 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.937 30.426 14.980 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.521 31.435 15.357 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.646 31.926 14.069 1.00 0.00 H new ATOM 92 N LYS A 6 33.468 34.608 18.322 1.00 0.00 N ATOM 93 CA LYS A 6 33.803 35.290 19.569 1.00 0.00 C ATOM 94 C LYS A 6 33.762 34.316 20.745 1.00 0.00 C ATOM 95 O LYS A 6 32.801 33.563 20.897 1.00 0.00 O ATOM 96 CB LYS A 6 32.789 36.412 19.795 1.00 0.00 C ATOM 97 CG LYS A 6 33.317 37.397 20.831 1.00 0.00 C ATOM 98 CD LYS A 6 32.344 38.574 20.939 1.00 0.00 C ATOM 99 CE LYS A 6 32.832 39.557 22.004 1.00 0.00 C ATOM 100 NZ LYS A 6 32.791 38.903 23.342 1.00 0.00 N ATOM 0 H LYS A 6 32.485 34.347 18.238 1.00 0.00 H new ATOM 0 HA LYS A 6 34.812 35.697 19.499 1.00 0.00 H new ATOM 0 HB2 LYS A 6 32.594 36.930 18.856 1.00 0.00 H new ATOM 0 HB3 LYS A 6 31.841 35.993 20.131 1.00 0.00 H new ATOM 0 HG2 LYS A 6 33.423 36.906 21.798 1.00 0.00 H new ATOM 0 HG3 LYS A 6 34.307 37.752 20.544 1.00 0.00 H new ATOM 0 HD2 LYS A 6 32.262 39.079 19.976 1.00 0.00 H new ATOM 0 HD3 LYS A 6 31.348 38.212 21.195 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.848 39.881 21.777 1.00 0.00 H new ATOM 0 HE3 LYS A 6 32.206 40.449 22.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 32.788 39.631 24.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 31.929 38.326 23.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.627 38.295 23.457 1.00 0.00 H new ATOM 114 N THR A 7 34.802 34.343 21.581 1.00 0.00 N ATOM 115 CA THR A 7 34.864 33.461 22.752 1.00 0.00 C ATOM 116 C THR A 7 34.637 34.263 24.033 1.00 0.00 C ATOM 117 O THR A 7 34.430 35.476 23.993 1.00 0.00 O ATOM 118 CB THR A 7 36.224 32.762 22.822 1.00 0.00 C ATOM 119 OG1 THR A 7 37.191 33.663 23.341 1.00 0.00 O ATOM 120 CG2 THR A 7 36.644 32.306 21.424 1.00 0.00 C ATOM 0 H THR A 7 35.607 34.960 21.472 1.00 0.00 H new ATOM 0 HA THR A 7 34.080 32.709 22.656 1.00 0.00 H new ATOM 0 HB THR A 7 36.150 31.892 23.474 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.087 33.283 23.226 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.613 31.809 21.479 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.902 31.612 21.029 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.717 33.172 20.766 1.00 0.00 H new ATOM 128 N LEU A 8 34.691 33.583 25.170 1.00 0.00 N ATOM 129 CA LEU A 8 34.491 34.253 26.451 1.00 0.00 C ATOM 130 C LEU A 8 35.698 35.129 26.792 1.00 0.00 C ATOM 131 O LEU A 8 35.583 36.088 27.560 1.00 0.00 O ATOM 132 CB LEU A 8 34.261 33.221 27.561 1.00 0.00 C ATOM 133 CG LEU A 8 33.159 32.240 27.134 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.890 31.241 28.268 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.869 33.012 26.822 1.00 0.00 C ATOM 0 H LEU A 8 34.869 32.581 25.234 1.00 0.00 H new ATOM 0 HA LEU A 8 33.609 34.889 26.372 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.185 32.679 27.765 1.00 0.00 H new ATOM 0 HB3 LEU A 8 33.976 33.724 28.485 1.00 0.00 H new ATOM 0 HG LEU A 8 33.485 31.703 26.243 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.108 30.546 27.963 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.802 30.687 28.488 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.569 31.780 29.159 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.090 32.312 26.520 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.545 33.553 27.711 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.055 33.719 26.014 1.00 0.00 H new ATOM 147 N THR A 9 36.860 34.803 26.228 1.00 0.00 N ATOM 148 CA THR A 9 38.068 35.584 26.498 1.00 0.00 C ATOM 149 C THR A 9 38.122 36.827 25.612 1.00 0.00 C ATOM 150 O THR A 9 39.134 37.528 25.576 1.00 0.00 O ATOM 151 CB THR A 9 39.319 34.733 26.262 1.00 0.00 C ATOM 152 OG1 THR A 9 39.243 34.122 24.982 1.00 0.00 O ATOM 153 CG2 THR A 9 39.414 33.654 27.340 1.00 0.00 C ATOM 0 H THR A 9 36.991 34.017 25.591 1.00 0.00 H new ATOM 0 HA THR A 9 38.037 35.897 27.542 1.00 0.00 H new ATOM 0 HB THR A 9 40.204 35.368 26.308 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.407 34.384 24.544 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.305 33.049 27.171 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.475 34.124 28.321 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.530 33.018 27.297 1.00 0.00 H new ATOM 161 N GLY A 10 37.028 37.107 24.905 1.00 0.00 N ATOM 162 CA GLY A 10 36.976 38.281 24.042 1.00 0.00 C ATOM 163 C GLY A 10 37.902 38.125 22.846 1.00 0.00 C ATOM 164 O GLY A 10 38.311 39.109 22.230 1.00 0.00 O ATOM 0 H GLY A 10 36.177 36.544 24.913 1.00 0.00 H new ATOM 0 HA2 GLY A 10 35.954 38.437 23.696 1.00 0.00 H new ATOM 0 HA3 GLY A 10 37.258 39.167 24.611 1.00 0.00 H new ATOM 168 N LYS A 11 38.212 36.879 22.498 1.00 0.00 N ATOM 169 CA LYS A 11 39.070 36.604 21.352 1.00 0.00 C ATOM 170 C LYS A 11 38.221 36.516 20.089 1.00 0.00 C ATOM 171 O LYS A 11 37.190 35.841 20.074 1.00 0.00 O ATOM 172 CB LYS A 11 39.814 35.277 21.546 1.00 0.00 C ATOM 173 CG LYS A 11 40.938 35.454 22.572 1.00 0.00 C ATOM 174 CD LYS A 11 41.515 34.083 22.940 1.00 0.00 C ATOM 175 CE LYS A 11 42.275 33.501 21.744 1.00 0.00 C ATOM 176 NZ LYS A 11 43.167 32.402 22.209 1.00 0.00 N ATOM 0 H LYS A 11 37.883 36.049 22.991 1.00 0.00 H new ATOM 0 HA LYS A 11 39.796 37.412 21.260 1.00 0.00 H new ATOM 0 HB2 LYS A 11 39.120 34.507 21.883 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.227 34.940 20.596 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.721 36.092 22.163 1.00 0.00 H new ATOM 0 HG3 LYS A 11 40.556 35.951 23.464 1.00 0.00 H new ATOM 0 HD2 LYS A 11 42.183 34.178 23.796 1.00 0.00 H new ATOM 0 HD3 LYS A 11 40.712 33.408 23.236 1.00 0.00 H new ATOM 0 HE2 LYS A 11 41.572 33.123 21.002 1.00 0.00 H new ATOM 0 HE3 LYS A 11 42.863 34.280 21.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 43.683 32.007 21.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 43.846 32.776 22.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 42.595 31.655 22.653 1.00 0.00 H new ATOM 190 N THR A 12 38.656 37.194 19.027 1.00 0.00 N ATOM 191 CA THR A 12 37.930 37.179 17.757 1.00 0.00 C ATOM 192 C THR A 12 38.811 36.585 16.674 1.00 0.00 C ATOM 193 O THR A 12 39.925 37.052 16.432 1.00 0.00 O ATOM 194 CB THR A 12 37.523 38.598 17.352 1.00 0.00 C ATOM 195 OG1 THR A 12 36.767 39.191 18.401 1.00 0.00 O ATOM 196 CG2 THR A 12 36.671 38.538 16.078 1.00 0.00 C ATOM 0 H THR A 12 39.505 37.759 19.021 1.00 0.00 H new ATOM 0 HA THR A 12 37.031 36.574 17.879 1.00 0.00 H new ATOM 0 HB THR A 12 38.416 39.195 17.166 1.00 0.00 H new ATOM 0 HG1 THR A 12 36.507 40.100 18.143 1.00 0.00 H new ATOM 0 HG21 THR A 12 36.380 39.547 15.787 1.00 0.00 H new ATOM 0 HG22 THR A 12 37.249 38.082 15.275 1.00 0.00 H new ATOM 0 HG23 THR A 12 35.778 37.942 16.265 1.00 0.00 H new ATOM 204 N ILE A 13 38.302 35.549 16.025 1.00 0.00 N ATOM 205 CA ILE A 13 39.037 34.879 14.954 1.00 0.00 C ATOM 206 C ILE A 13 38.118 34.625 13.775 1.00 0.00 C ATOM 207 O ILE A 13 36.938 34.320 13.944 1.00 0.00 O ATOM 208 CB ILE A 13 39.628 33.565 15.454 1.00 0.00 C ATOM 209 CG1 ILE A 13 38.534 32.746 16.130 1.00 0.00 C ATOM 210 CG2 ILE A 13 40.742 33.859 16.458 1.00 0.00 C ATOM 211 CD1 ILE A 13 39.063 31.345 16.441 1.00 0.00 C ATOM 0 H ILE A 13 37.383 35.151 16.219 1.00 0.00 H new ATOM 0 HA ILE A 13 39.854 35.525 14.633 1.00 0.00 H new ATOM 0 HB ILE A 13 40.037 33.003 14.614 1.00 0.00 H new ATOM 0 HG12 ILE A 13 38.213 33.237 17.049 1.00 0.00 H new ATOM 0 HG13 ILE A 13 37.661 32.681 15.481 1.00 0.00 H new ATOM 0 HG21 ILE A 13 41.166 32.921 16.817 1.00 0.00 H new ATOM 0 HG22 ILE A 13 41.521 34.448 15.974 1.00 0.00 H new ATOM 0 HG23 ILE A 13 40.335 34.418 17.300 1.00 0.00 H new ATOM 0 HD11 ILE A 13 38.281 30.760 16.924 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.363 30.855 15.514 1.00 0.00 H new ATOM 0 HD13 ILE A 13 39.923 31.420 17.106 1.00 0.00 H new ATOM 223 N THR A 14 38.665 34.759 12.575 1.00 0.00 N ATOM 224 CA THR A 14 37.882 34.546 11.363 1.00 0.00 C ATOM 225 C THR A 14 38.081 33.135 10.833 1.00 0.00 C ATOM 226 O THR A 14 39.198 32.616 10.806 1.00 0.00 O ATOM 227 CB THR A 14 38.279 35.569 10.296 1.00 0.00 C ATOM 228 OG1 THR A 14 38.319 36.863 10.884 1.00 0.00 O ATOM 229 CG2 THR A 14 37.243 35.554 9.164 1.00 0.00 C ATOM 0 H THR A 14 39.640 35.012 12.413 1.00 0.00 H new ATOM 0 HA THR A 14 36.828 34.675 11.607 1.00 0.00 H new ATOM 0 HB THR A 14 39.260 35.318 9.892 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.405 37.180 11.040 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.525 36.282 8.403 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.205 34.560 8.718 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.262 35.809 9.565 1.00 0.00 H new ATOM 237 N LEU A 15 36.977 32.522 10.412 1.00 0.00 N ATOM 238 CA LEU A 15 36.990 31.158 9.881 1.00 0.00 C ATOM 239 C LEU A 15 36.362 31.142 8.482 1.00 0.00 C ATOM 240 O LEU A 15 35.442 31.909 8.191 1.00 0.00 O ATOM 241 CB LEU A 15 36.180 30.247 10.832 1.00 0.00 C ATOM 242 CG LEU A 15 37.103 29.425 11.742 1.00 0.00 C ATOM 243 CD1 LEU A 15 38.074 30.350 12.496 1.00 0.00 C ATOM 244 CD2 LEU A 15 36.243 28.657 12.753 1.00 0.00 C ATOM 0 H LEU A 15 36.052 32.952 10.428 1.00 0.00 H new ATOM 0 HA LEU A 15 38.016 30.796 9.810 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.514 30.857 11.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.551 29.576 10.247 1.00 0.00 H new ATOM 0 HG LEU A 15 37.683 28.730 11.134 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.722 29.752 13.137 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.682 30.902 11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.507 31.052 13.107 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.887 28.068 13.406 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.667 29.363 13.352 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.562 27.993 12.221 1.00 0.00 H new ATOM 256 N GLU A 16 36.841 30.233 7.638 1.00 0.00 N ATOM 257 CA GLU A 16 36.300 30.080 6.284 1.00 0.00 C ATOM 258 C GLU A 16 35.431 28.830 6.239 1.00 0.00 C ATOM 259 O GLU A 16 35.893 27.735 6.555 1.00 0.00 O ATOM 260 CB GLU A 16 37.429 29.963 5.249 1.00 0.00 C ATOM 261 CG GLU A 16 38.503 29.000 5.755 1.00 0.00 C ATOM 262 CD GLU A 16 39.674 28.967 4.781 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.475 28.535 3.658 1.00 0.00 O ATOM 264 OE2 GLU A 16 40.755 29.377 5.172 1.00 0.00 O ATOM 0 H GLU A 16 37.601 29.591 7.863 1.00 0.00 H new ATOM 0 HA GLU A 16 35.707 30.961 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.028 29.608 4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.866 30.944 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.848 29.312 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.083 28.000 5.866 1.00 0.00 H new ATOM 271 N VAL A 17 34.166 28.999 5.870 1.00 0.00 N ATOM 272 CA VAL A 17 33.244 27.863 5.818 1.00 0.00 C ATOM 273 C VAL A 17 32.257 27.995 4.666 1.00 0.00 C ATOM 274 O VAL A 17 32.060 29.077 4.114 1.00 0.00 O ATOM 275 CB VAL A 17 32.495 27.720 7.160 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.428 28.077 8.317 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.283 28.651 7.197 1.00 0.00 C ATOM 0 H VAL A 17 33.757 29.895 5.606 1.00 0.00 H new ATOM 0 HA VAL A 17 33.833 26.962 5.644 1.00 0.00 H new ATOM 0 HB VAL A 17 32.161 26.687 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.893 27.974 9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.287 27.406 8.312 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.770 29.106 8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.766 28.538 8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.614 29.683 7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.604 28.397 6.383 1.00 0.00 H new ATOM 287 N GLU A 18 31.624 26.874 4.322 1.00 0.00 N ATOM 288 CA GLU A 18 30.639 26.840 3.253 1.00 0.00 C ATOM 289 C GLU A 18 29.237 26.797 3.867 1.00 0.00 C ATOM 290 O GLU A 18 29.013 26.060 4.826 1.00 0.00 O ATOM 291 CB GLU A 18 30.855 25.596 2.386 1.00 0.00 C ATOM 292 CG GLU A 18 32.327 25.510 1.975 1.00 0.00 C ATOM 293 CD GLU A 18 32.536 24.333 1.027 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.749 23.403 1.089 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.479 24.379 0.254 1.00 0.00 O ATOM 0 H GLU A 18 31.781 25.974 4.775 1.00 0.00 H new ATOM 0 HA GLU A 18 30.745 27.730 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.567 24.701 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.221 25.642 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.632 26.437 1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.954 25.391 2.859 1.00 0.00 H new ATOM 302 N PRO A 19 28.303 27.565 3.368 1.00 0.00 N ATOM 303 CA PRO A 19 26.921 27.578 3.917 1.00 0.00 C ATOM 304 C PRO A 19 26.373 26.165 4.109 1.00 0.00 C ATOM 305 O PRO A 19 25.440 25.952 4.882 1.00 0.00 O ATOM 306 CB PRO A 19 26.116 28.345 2.851 1.00 0.00 C ATOM 307 CG PRO A 19 27.113 29.224 2.167 1.00 0.00 C ATOM 308 CD PRO A 19 28.448 28.493 2.229 1.00 0.00 C ATOM 0 HA PRO A 19 26.870 28.038 4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.644 27.661 2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 19 25.319 28.933 3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.821 29.411 1.134 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.178 30.194 2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.651 27.957 1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.275 29.187 2.384 1.00 0.00 H new ATOM 316 N SER A 20 26.960 25.205 3.392 1.00 0.00 N ATOM 317 CA SER A 20 26.523 23.813 3.466 1.00 0.00 C ATOM 318 C SER A 20 27.354 23.010 4.461 1.00 0.00 C ATOM 319 O SER A 20 27.212 21.790 4.543 1.00 0.00 O ATOM 320 CB SER A 20 26.635 23.180 2.077 1.00 0.00 C ATOM 321 OG SER A 20 28.008 23.056 1.730 1.00 0.00 O ATOM 0 H SER A 20 27.739 25.368 2.754 1.00 0.00 H new ATOM 0 HA SER A 20 25.489 23.799 3.811 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.156 22.201 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.115 23.794 1.341 1.00 0.00 H new ATOM 0 HG SER A 20 28.085 22.649 0.842 1.00 0.00 H new ATOM 327 N ASP A 21 28.219 23.684 5.205 1.00 0.00 N ATOM 328 CA ASP A 21 29.055 23.005 6.183 1.00 0.00 C ATOM 329 C ASP A 21 28.204 22.497 7.338 1.00 0.00 C ATOM 330 O ASP A 21 27.222 23.140 7.725 1.00 0.00 O ATOM 331 CB ASP A 21 30.133 23.973 6.695 1.00 0.00 C ATOM 332 CG ASP A 21 31.310 24.041 5.720 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.272 23.345 4.721 1.00 0.00 O ATOM 334 OD2 ASP A 21 32.238 24.779 5.997 1.00 0.00 O ATOM 0 H ASP A 21 28.360 24.693 5.151 1.00 0.00 H new ATOM 0 HA ASP A 21 29.540 22.150 5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.704 24.967 6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.484 23.648 7.674 1.00 0.00 H new ATOM 339 N THR A 22 28.581 21.343 7.885 1.00 0.00 N ATOM 340 CA THR A 22 27.842 20.763 9.005 1.00 0.00 C ATOM 341 C THR A 22 28.415 21.272 10.318 1.00 0.00 C ATOM 342 O THR A 22 29.592 21.615 10.394 1.00 0.00 O ATOM 343 CB THR A 22 27.934 19.236 8.969 1.00 0.00 C ATOM 344 OG1 THR A 22 29.299 18.844 9.011 1.00 0.00 O ATOM 345 CG2 THR A 22 27.289 18.710 7.684 1.00 0.00 C ATOM 0 H THR A 22 29.384 20.796 7.576 1.00 0.00 H new ATOM 0 HA THR A 22 26.796 21.059 8.923 1.00 0.00 H new ATOM 0 HB THR A 22 27.409 18.822 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 22 29.359 17.866 8.990 1.00 0.00 H new ATOM 0 HG21 THR A 22 27.356 17.622 7.662 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.241 19.009 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 22 27.809 19.123 6.820 1.00 0.00 H new ATOM 353 N ILE A 23 27.583 21.315 11.347 1.00 0.00 N ATOM 354 CA ILE A 23 28.042 21.784 12.645 1.00 0.00 C ATOM 355 C ILE A 23 29.262 20.984 13.079 1.00 0.00 C ATOM 356 O ILE A 23 30.054 21.432 13.902 1.00 0.00 O ATOM 357 CB ILE A 23 26.927 21.641 13.684 1.00 0.00 C ATOM 358 CG1 ILE A 23 25.606 22.168 13.109 1.00 0.00 C ATOM 359 CG2 ILE A 23 27.289 22.438 14.937 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.808 23.563 12.507 1.00 0.00 C ATOM 0 H ILE A 23 26.603 21.036 11.311 1.00 0.00 H new ATOM 0 HA ILE A 23 28.313 22.837 12.565 1.00 0.00 H new ATOM 0 HB ILE A 23 26.813 20.588 13.941 1.00 0.00 H new ATOM 0 HG12 ILE A 23 25.236 21.485 12.345 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.850 22.209 13.893 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.494 22.335 15.676 1.00 0.00 H new ATOM 0 HG22 ILE A 23 28.222 22.058 15.353 1.00 0.00 H new ATOM 0 HG23 ILE A 23 27.409 23.490 14.677 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.863 23.925 12.103 1.00 0.00 H new ATOM 0 HD12 ILE A 23 26.157 24.246 13.281 1.00 0.00 H new ATOM 0 HD13 ILE A 23 26.548 23.511 11.708 1.00 0.00 H new ATOM 372 N GLU A 24 29.414 19.800 12.501 1.00 0.00 N ATOM 373 CA GLU A 24 30.550 18.947 12.820 1.00 0.00 C ATOM 374 C GLU A 24 31.811 19.472 12.133 1.00 0.00 C ATOM 375 O GLU A 24 32.808 19.770 12.788 1.00 0.00 O ATOM 376 CB GLU A 24 30.265 17.513 12.365 1.00 0.00 C ATOM 377 CG GLU A 24 29.172 16.905 13.251 1.00 0.00 C ATOM 378 CD GLU A 24 29.734 16.582 14.633 1.00 0.00 C ATOM 379 OE1 GLU A 24 30.643 15.772 14.705 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.245 17.148 15.595 1.00 0.00 O ATOM 0 H GLU A 24 28.769 19.411 11.813 1.00 0.00 H new ATOM 0 HA GLU A 24 30.708 18.955 13.898 1.00 0.00 H new ATOM 0 HB2 GLU A 24 29.948 17.507 11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 24 31.173 16.913 12.426 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.339 17.602 13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.781 15.999 12.788 1.00 0.00 H new ATOM 387 N ASN A 25 31.752 19.584 10.810 1.00 0.00 N ATOM 388 CA ASN A 25 32.887 20.075 10.040 1.00 0.00 C ATOM 389 C ASN A 25 33.353 21.426 10.578 1.00 0.00 C ATOM 390 O ASN A 25 34.549 21.688 10.679 1.00 0.00 O ATOM 391 CB ASN A 25 32.480 20.219 8.574 1.00 0.00 C ATOM 392 CG ASN A 25 33.691 20.576 7.721 1.00 0.00 C ATOM 393 OD1 ASN A 25 34.781 20.052 7.939 1.00 0.00 O ATOM 394 ND2 ASN A 25 33.561 21.445 6.754 1.00 0.00 N ATOM 0 H ASN A 25 30.933 19.342 10.251 1.00 0.00 H new ATOM 0 HA ASN A 25 33.708 19.363 10.127 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.039 19.288 8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.717 20.991 8.476 1.00 0.00 H new ATOM 0 HD21 ASN A 25 34.366 21.690 6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 25 32.655 21.878 6.576 1.00 0.00 H new ATOM 401 N VAL A 26 32.401 22.288 10.918 1.00 0.00 N ATOM 402 CA VAL A 26 32.743 23.607 11.435 1.00 0.00 C ATOM 403 C VAL A 26 33.438 23.489 12.790 1.00 0.00 C ATOM 404 O VAL A 26 34.405 24.198 13.066 1.00 0.00 O ATOM 405 CB VAL A 26 31.484 24.476 11.561 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.873 25.850 12.102 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.838 24.643 10.183 1.00 0.00 C ATOM 0 H VAL A 26 31.401 22.101 10.846 1.00 0.00 H new ATOM 0 HA VAL A 26 33.428 24.082 10.733 1.00 0.00 H new ATOM 0 HB VAL A 26 30.778 23.997 12.240 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.982 26.471 12.193 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.338 25.737 13.081 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.577 26.324 11.418 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.944 25.260 10.273 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.544 25.124 9.506 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.565 23.664 9.788 1.00 0.00 H new ATOM 417 N LYS A 27 32.952 22.582 13.630 1.00 0.00 N ATOM 418 CA LYS A 27 33.552 22.385 14.943 1.00 0.00 C ATOM 419 C LYS A 27 34.983 21.918 14.766 1.00 0.00 C ATOM 420 O LYS A 27 35.885 22.327 15.495 1.00 0.00 O ATOM 421 CB LYS A 27 32.748 21.353 15.748 1.00 0.00 C ATOM 422 CG LYS A 27 31.525 22.028 16.378 1.00 0.00 C ATOM 423 CD LYS A 27 30.555 20.960 16.896 1.00 0.00 C ATOM 424 CE LYS A 27 29.500 21.615 17.793 1.00 0.00 C ATOM 425 NZ LYS A 27 30.083 21.871 19.140 1.00 0.00 N ATOM 0 H LYS A 27 32.154 21.979 13.429 1.00 0.00 H new ATOM 0 HA LYS A 27 33.542 23.326 15.493 1.00 0.00 H new ATOM 0 HB2 LYS A 27 32.431 20.538 15.098 1.00 0.00 H new ATOM 0 HB3 LYS A 27 33.375 20.916 16.525 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.837 22.677 17.196 1.00 0.00 H new ATOM 0 HG3 LYS A 27 31.027 22.659 15.642 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.073 20.456 16.059 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.100 20.199 17.455 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.159 22.550 17.349 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.628 20.967 17.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.322 22.106 19.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.582 21.020 19.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.752 22.665 19.083 1.00 0.00 H new ATOM 439 N ALA A 28 35.174 21.060 13.778 1.00 0.00 N ATOM 440 CA ALA A 28 36.490 20.530 13.476 1.00 0.00 C ATOM 441 C ALA A 28 37.436 21.666 13.091 1.00 0.00 C ATOM 442 O ALA A 28 38.607 21.665 13.470 1.00 0.00 O ATOM 443 CB ALA A 28 36.366 19.521 12.331 1.00 0.00 C ATOM 0 H ALA A 28 34.431 20.716 13.170 1.00 0.00 H new ATOM 0 HA ALA A 28 36.899 20.031 14.354 1.00 0.00 H new ATOM 0 HB1 ALA A 28 37.350 19.116 12.095 1.00 0.00 H new ATOM 0 HB2 ALA A 28 35.702 18.710 12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 28 35.958 20.018 11.451 1.00 0.00 H new ATOM 449 N LYS A 29 36.910 22.642 12.353 1.00 0.00 N ATOM 450 CA LYS A 29 37.712 23.794 11.942 1.00 0.00 C ATOM 451 C LYS A 29 38.128 24.590 13.180 1.00 0.00 C ATOM 452 O LYS A 29 39.267 25.051 13.288 1.00 0.00 O ATOM 453 CB LYS A 29 36.912 24.706 11.001 1.00 0.00 C ATOM 454 CG LYS A 29 36.726 24.033 9.640 1.00 0.00 C ATOM 455 CD LYS A 29 36.062 25.019 8.669 1.00 0.00 C ATOM 456 CE LYS A 29 35.916 24.358 7.296 1.00 0.00 C ATOM 457 NZ LYS A 29 35.396 25.356 6.322 1.00 0.00 N ATOM 0 H LYS A 29 35.943 22.660 12.030 1.00 0.00 H new ATOM 0 HA LYS A 29 38.594 23.432 11.414 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.939 24.929 11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.431 25.656 10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.690 23.712 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 29 36.111 23.139 9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 29 35.084 25.317 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.662 25.926 8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 29 36.879 23.973 6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.238 23.507 7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.905 25.259 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 34.381 25.193 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.539 26.315 6.698 1.00 0.00 H new ATOM 471 N ILE A 30 37.195 24.720 14.116 1.00 0.00 N ATOM 472 CA ILE A 30 37.456 25.434 15.349 1.00 0.00 C ATOM 473 C ILE A 30 38.498 24.683 16.177 1.00 0.00 C ATOM 474 O ILE A 30 39.433 25.284 16.704 1.00 0.00 O ATOM 475 CB ILE A 30 36.150 25.587 16.131 1.00 0.00 C ATOM 476 CG1 ILE A 30 35.248 26.590 15.404 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.446 26.095 17.542 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.852 26.589 16.035 1.00 0.00 C ATOM 0 H ILE A 30 36.252 24.338 14.040 1.00 0.00 H new ATOM 0 HA ILE A 30 37.850 26.425 15.123 1.00 0.00 H new ATOM 0 HB ILE A 30 35.650 24.621 16.199 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.681 27.589 15.460 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.179 26.331 14.347 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.512 26.202 18.094 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.092 25.384 18.057 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.945 27.062 17.483 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.216 27.304 15.513 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.418 25.592 15.956 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.927 26.870 17.086 1.00 0.00 H new ATOM 490 N GLN A 31 38.327 23.371 16.296 1.00 0.00 N ATOM 491 CA GLN A 31 39.263 22.561 17.068 1.00 0.00 C ATOM 492 C GLN A 31 40.665 22.648 16.475 1.00 0.00 C ATOM 493 O GLN A 31 41.648 22.813 17.196 1.00 0.00 O ATOM 494 CB GLN A 31 38.816 21.096 17.075 1.00 0.00 C ATOM 495 CG GLN A 31 39.644 20.315 18.101 1.00 0.00 C ATOM 496 CD GLN A 31 39.404 18.819 17.940 1.00 0.00 C ATOM 497 OE1 GLN A 31 39.874 18.024 18.755 1.00 0.00 O ATOM 498 NE2 GLN A 31 38.696 18.384 16.934 1.00 0.00 N ATOM 0 H GLN A 31 37.559 22.850 15.873 1.00 0.00 H new ATOM 0 HA GLN A 31 39.279 22.945 18.088 1.00 0.00 H new ATOM 0 HB2 GLN A 31 37.756 21.029 17.320 1.00 0.00 H new ATOM 0 HB3 GLN A 31 38.942 20.661 16.083 1.00 0.00 H new ATOM 0 HG2 GLN A 31 40.703 20.537 17.970 1.00 0.00 H new ATOM 0 HG3 GLN A 31 39.375 20.628 19.110 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.308 19.044 16.260 1.00 0.00 H new ATOM 0 HE22 GLN A 31 38.531 17.384 16.821 1.00 0.00 H new ATOM 507 N ASP A 32 40.748 22.519 15.161 1.00 0.00 N ATOM 508 CA ASP A 32 42.035 22.563 14.478 1.00 0.00 C ATOM 509 C ASP A 32 42.786 23.862 14.768 1.00 0.00 C ATOM 510 O ASP A 32 44.009 23.854 14.911 1.00 0.00 O ATOM 511 CB ASP A 32 41.827 22.421 12.968 1.00 0.00 C ATOM 512 CG ASP A 32 43.173 22.292 12.264 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.103 22.964 12.679 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.257 21.521 11.322 1.00 0.00 O ATOM 0 H ASP A 32 39.945 22.384 14.547 1.00 0.00 H new ATOM 0 HA ASP A 32 42.636 21.734 14.852 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.213 21.545 12.758 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.288 23.287 12.584 1.00 0.00 H new ATOM 519 N LYS A 33 42.066 24.984 14.828 1.00 0.00 N ATOM 520 CA LYS A 33 42.711 26.280 15.071 1.00 0.00 C ATOM 521 C LYS A 33 42.880 26.593 16.565 1.00 0.00 C ATOM 522 O LYS A 33 43.876 27.204 16.956 1.00 0.00 O ATOM 523 CB LYS A 33 41.895 27.394 14.411 1.00 0.00 C ATOM 524 CG LYS A 33 41.857 27.172 12.897 1.00 0.00 C ATOM 525 CD LYS A 33 41.209 28.383 12.217 1.00 0.00 C ATOM 526 CE LYS A 33 41.145 28.150 10.706 1.00 0.00 C ATOM 527 NZ LYS A 33 40.372 29.253 10.065 1.00 0.00 N ATOM 0 H LYS A 33 41.053 25.025 14.714 1.00 0.00 H new ATOM 0 HA LYS A 33 43.709 26.224 14.636 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.882 27.404 14.813 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.337 28.365 14.636 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.867 27.025 12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.294 26.268 12.666 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.206 28.542 12.613 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.783 29.284 12.432 1.00 0.00 H new ATOM 0 HE2 LYS A 33 42.152 28.108 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 33 40.673 27.190 10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 40.838 29.534 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 39.406 28.927 9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.333 30.069 10.709 1.00 0.00 H new ATOM 541 N GLU A 34 41.903 26.220 17.394 1.00 0.00 N ATOM 542 CA GLU A 34 41.976 26.523 18.836 1.00 0.00 C ATOM 543 C GLU A 34 42.393 25.311 19.667 1.00 0.00 C ATOM 544 O GLU A 34 42.677 25.439 20.858 1.00 0.00 O ATOM 545 CB GLU A 34 40.614 27.028 19.326 1.00 0.00 C ATOM 546 CG GLU A 34 40.096 28.119 18.383 1.00 0.00 C ATOM 547 CD GLU A 34 41.134 29.227 18.239 1.00 0.00 C ATOM 548 OE1 GLU A 34 41.436 29.865 19.234 1.00 0.00 O ATOM 549 OE2 GLU A 34 41.617 29.419 17.135 1.00 0.00 O ATOM 0 H GLU A 34 41.064 25.717 17.105 1.00 0.00 H new ATOM 0 HA GLU A 34 42.739 27.291 18.967 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.903 26.203 19.368 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.704 27.422 20.338 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.874 27.690 17.406 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.164 28.532 18.770 1.00 0.00 H new ATOM 556 N GLY A 35 42.462 24.142 19.044 1.00 0.00 N ATOM 557 CA GLY A 35 42.881 22.932 19.753 1.00 0.00 C ATOM 558 C GLY A 35 41.924 22.557 20.890 1.00 0.00 C ATOM 559 O GLY A 35 42.241 21.691 21.707 1.00 0.00 O ATOM 0 H GLY A 35 42.237 24.002 18.059 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.943 22.104 19.047 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.882 23.081 20.159 1.00 0.00 H new ATOM 563 N ILE A 36 40.758 23.197 20.940 1.00 0.00 N ATOM 564 CA ILE A 36 39.779 22.906 21.981 1.00 0.00 C ATOM 565 C ILE A 36 38.835 21.772 21.530 1.00 0.00 C ATOM 566 O ILE A 36 38.068 21.956 20.585 1.00 0.00 O ATOM 567 CB ILE A 36 38.959 24.166 22.264 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.905 25.336 22.539 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.073 23.937 23.486 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.098 26.603 22.837 1.00 0.00 C ATOM 0 H ILE A 36 40.470 23.916 20.276 1.00 0.00 H new ATOM 0 HA ILE A 36 40.303 22.589 22.883 1.00 0.00 H new ATOM 0 HB ILE A 36 38.335 24.393 21.400 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.552 25.100 23.384 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.552 25.501 21.678 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.490 24.836 23.686 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.399 23.102 23.295 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.697 23.710 24.350 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.780 27.431 23.032 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.470 26.844 21.980 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.470 26.437 23.712 1.00 0.00 H new ATOM 582 N PRO A 37 38.861 20.614 22.168 1.00 0.00 N ATOM 583 CA PRO A 37 37.970 19.477 21.780 1.00 0.00 C ATOM 584 C PRO A 37 36.521 19.930 21.539 1.00 0.00 C ATOM 585 O PRO A 37 36.030 20.836 22.217 1.00 0.00 O ATOM 586 CB PRO A 37 38.063 18.523 22.976 1.00 0.00 C ATOM 587 CG PRO A 37 39.413 18.775 23.567 1.00 0.00 C ATOM 588 CD PRO A 37 39.728 20.252 23.310 1.00 0.00 C ATOM 0 HA PRO A 37 38.275 19.017 20.840 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.272 18.719 23.700 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.957 17.485 22.662 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.416 18.557 24.635 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.164 18.132 23.108 1.00 0.00 H new ATOM 0 HD2 PRO A 37 39.510 20.864 24.185 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.782 20.399 23.073 1.00 0.00 H new ATOM 596 N PRO A 38 35.831 19.329 20.593 1.00 0.00 N ATOM 597 CA PRO A 38 34.421 19.704 20.266 1.00 0.00 C ATOM 598 C PRO A 38 33.441 19.276 21.356 1.00 0.00 C ATOM 599 O PRO A 38 32.334 19.808 21.448 1.00 0.00 O ATOM 600 CB PRO A 38 34.160 18.969 18.949 1.00 0.00 C ATOM 601 CG PRO A 38 35.031 17.767 19.028 1.00 0.00 C ATOM 602 CD PRO A 38 36.301 18.223 19.739 1.00 0.00 C ATOM 0 HA PRO A 38 34.282 20.782 20.189 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.110 18.695 18.846 1.00 0.00 H new ATOM 0 HB3 PRO A 38 34.413 19.589 18.089 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.541 16.964 19.579 1.00 0.00 H new ATOM 0 HG3 PRO A 38 35.256 17.381 18.034 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.743 17.420 20.328 1.00 0.00 H new ATOM 0 HD3 PRO A 38 37.061 18.555 19.032 1.00 0.00 H new ATOM 610 N ASP A 39 33.848 18.312 22.171 1.00 0.00 N ATOM 611 CA ASP A 39 32.990 17.828 23.243 1.00 0.00 C ATOM 612 C ASP A 39 32.968 18.817 24.403 1.00 0.00 C ATOM 613 O ASP A 39 32.116 18.726 25.285 1.00 0.00 O ATOM 614 CB ASP A 39 33.493 16.472 23.741 1.00 0.00 C ATOM 615 CG ASP A 39 33.338 15.422 22.647 1.00 0.00 C ATOM 616 OD1 ASP A 39 32.570 15.661 21.731 1.00 0.00 O ATOM 617 OD2 ASP A 39 33.990 14.396 22.742 1.00 0.00 O ATOM 0 H ASP A 39 34.757 17.854 22.112 1.00 0.00 H new ATOM 0 HA ASP A 39 31.978 17.722 22.851 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.540 16.550 24.036 1.00 0.00 H new ATOM 0 HB3 ASP A 39 32.934 16.171 24.627 1.00 0.00 H new ATOM 622 N GLN A 40 33.912 19.766 24.402 1.00 0.00 N ATOM 623 CA GLN A 40 33.992 20.762 25.472 1.00 0.00 C ATOM 624 C GLN A 40 33.455 22.110 25.006 1.00 0.00 C ATOM 625 O GLN A 40 33.366 23.051 25.795 1.00 0.00 O ATOM 626 CB GLN A 40 35.450 20.930 25.905 1.00 0.00 C ATOM 627 CG GLN A 40 35.984 19.604 26.452 1.00 0.00 C ATOM 628 CD GLN A 40 35.253 19.239 27.740 1.00 0.00 C ATOM 629 OE1 GLN A 40 34.657 18.165 27.833 1.00 0.00 O ATOM 630 NE2 GLN A 40 35.262 20.073 28.743 1.00 0.00 N ATOM 0 H GLN A 40 34.624 19.863 23.678 1.00 0.00 H new ATOM 0 HA GLN A 40 33.386 20.414 26.308 1.00 0.00 H new ATOM 0 HB2 GLN A 40 36.055 21.255 25.059 1.00 0.00 H new ATOM 0 HB3 GLN A 40 35.526 21.705 26.667 1.00 0.00 H new ATOM 0 HG2 GLN A 40 35.850 18.815 25.712 1.00 0.00 H new ATOM 0 HG3 GLN A 40 37.054 19.684 26.642 1.00 0.00 H new ATOM 0 HE21 GLN A 40 35.756 20.962 28.663 1.00 0.00 H new ATOM 0 HE22 GLN A 40 34.775 19.837 29.607 1.00 0.00 H new ATOM 639 N GLN A 41 33.129 22.211 23.715 1.00 0.00 N ATOM 640 CA GLN A 41 32.631 23.469 23.151 1.00 0.00 C ATOM 641 C GLN A 41 31.188 23.351 22.682 1.00 0.00 C ATOM 642 O GLN A 41 30.763 22.317 22.162 1.00 0.00 O ATOM 643 CB GLN A 41 33.499 23.874 21.959 1.00 0.00 C ATOM 644 CG GLN A 41 34.887 24.283 22.447 1.00 0.00 C ATOM 645 CD GLN A 41 35.777 24.593 21.250 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.949 23.752 20.368 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.359 25.759 21.164 1.00 0.00 N ATOM 0 H GLN A 41 33.200 21.445 23.045 1.00 0.00 H new ATOM 0 HA GLN A 41 32.677 24.221 23.939 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.580 23.044 21.257 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.034 24.701 21.422 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.813 25.157 23.095 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.326 23.482 23.042 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.216 26.456 21.895 1.00 0.00 H new ATOM 0 HE22 GLN A 41 36.956 25.973 20.366 1.00 0.00 H new ATOM 656 N ARG A 42 30.447 24.441 22.861 1.00 0.00 N ATOM 657 CA ARG A 42 29.047 24.519 22.447 1.00 0.00 C ATOM 658 C ARG A 42 28.862 25.783 21.615 1.00 0.00 C ATOM 659 O ARG A 42 29.362 26.850 21.982 1.00 0.00 O ATOM 660 CB ARG A 42 28.129 24.570 23.678 1.00 0.00 C ATOM 661 CG ARG A 42 28.371 23.336 24.572 1.00 0.00 C ATOM 662 CD ARG A 42 27.574 22.137 24.046 1.00 0.00 C ATOM 663 NE ARG A 42 27.762 20.979 24.918 1.00 0.00 N ATOM 664 CZ ARG A 42 27.195 20.920 26.120 1.00 0.00 C ATOM 665 NH1 ARG A 42 27.382 19.876 26.883 1.00 0.00 N ATOM 666 NH2 ARG A 42 26.449 21.905 26.538 1.00 0.00 N ATOM 0 H ARG A 42 30.798 25.294 23.296 1.00 0.00 H new ATOM 0 HA ARG A 42 28.787 23.638 21.860 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.318 25.482 24.245 1.00 0.00 H new ATOM 0 HB3 ARG A 42 27.086 24.601 23.362 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.434 23.095 24.592 1.00 0.00 H new ATOM 0 HG3 ARG A 42 28.075 23.557 25.597 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.515 22.391 23.992 1.00 0.00 H new ATOM 0 HD3 ARG A 42 27.896 21.894 23.033 1.00 0.00 H new ATOM 0 HE ARG A 42 28.339 20.201 24.599 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.964 19.104 26.557 1.00 0.00 H new ATOM 0 HH12 ARG A 42 26.946 19.833 27.804 1.00 0.00 H new ATOM 0 HH21 ARG A 42 26.300 22.720 25.943 1.00 0.00 H new ATOM 0 HH22 ARG A 42 26.014 21.860 27.460 1.00 0.00 H new ATOM 680 N LEU A 43 28.166 25.677 20.480 1.00 0.00 N ATOM 681 CA LEU A 43 27.951 26.834 19.601 1.00 0.00 C ATOM 682 C LEU A 43 26.479 27.244 19.598 1.00 0.00 C ATOM 683 O LEU A 43 25.593 26.417 19.374 1.00 0.00 O ATOM 684 CB LEU A 43 28.384 26.481 18.172 1.00 0.00 C ATOM 685 CG LEU A 43 29.745 25.774 18.194 1.00 0.00 C ATOM 686 CD1 LEU A 43 30.172 25.446 16.760 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.796 26.685 18.840 1.00 0.00 C ATOM 0 H LEU A 43 27.744 24.810 20.148 1.00 0.00 H new ATOM 0 HA LEU A 43 28.546 27.668 19.974 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.638 25.837 17.706 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.445 27.386 17.568 1.00 0.00 H new ATOM 0 HG LEU A 43 29.661 24.854 18.773 1.00 0.00 H new ATOM 0 HD11 LEU A 43 31.139 24.944 16.774 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.430 24.793 16.300 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.251 26.368 16.184 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.760 26.177 18.852 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.880 27.608 18.266 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.496 26.919 19.861 1.00 0.00 H new ATOM 699 N ILE A 44 26.220 28.533 19.862 1.00 0.00 N ATOM 700 CA ILE A 44 24.847 29.052 19.905 1.00 0.00 C ATOM 701 C ILE A 44 24.683 30.278 19.002 1.00 0.00 C ATOM 702 O ILE A 44 25.587 31.115 18.881 1.00 0.00 O ATOM 703 CB ILE A 44 24.483 29.426 21.347 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.969 28.311 22.289 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.962 29.589 21.467 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.300 28.442 23.663 1.00 0.00 C ATOM 0 H ILE A 44 26.940 29.231 20.048 1.00 0.00 H new ATOM 0 HA ILE A 44 24.179 28.271 19.542 1.00 0.00 H new ATOM 0 HB ILE A 44 24.961 30.367 21.620 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.740 27.336 21.858 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.052 28.365 22.398 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.704 29.855 22.492 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.626 30.377 20.793 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.474 28.651 21.202 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.654 27.646 24.318 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.551 29.409 24.099 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.219 28.364 23.550 1.00 0.00 H new ATOM 718 N PHE A 45 23.506 30.372 18.384 1.00 0.00 N ATOM 719 CA PHE A 45 23.166 31.482 17.492 1.00 0.00 C ATOM 720 C PHE A 45 21.663 31.726 17.570 1.00 0.00 C ATOM 721 O PHE A 45 20.890 30.777 17.670 1.00 0.00 O ATOM 722 CB PHE A 45 23.551 31.139 16.051 1.00 0.00 C ATOM 723 CG PHE A 45 23.075 32.231 15.115 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.841 33.390 14.941 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.874 32.075 14.409 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.403 34.397 14.069 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.437 33.083 13.538 1.00 0.00 C ATOM 728 CZ PHE A 45 22.204 34.240 13.366 1.00 0.00 C ATOM 0 H PHE A 45 22.762 29.682 18.487 1.00 0.00 H new ATOM 0 HA PHE A 45 23.711 32.375 17.797 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.632 31.026 15.972 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.109 30.185 15.765 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.770 33.509 15.479 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.285 31.178 14.536 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.991 35.294 13.940 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.508 32.966 13.000 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.870 35.013 12.690 1.00 0.00 H new ATOM 738 N ALA A 46 21.241 32.985 17.530 1.00 0.00 N ATOM 739 CA ALA A 46 19.816 33.279 17.614 1.00 0.00 C ATOM 740 C ALA A 46 19.232 32.566 18.830 1.00 0.00 C ATOM 741 O ALA A 46 18.104 32.071 18.806 1.00 0.00 O ATOM 742 CB ALA A 46 19.107 32.816 16.337 1.00 0.00 C ATOM 0 H ALA A 46 21.848 33.800 17.442 1.00 0.00 H new ATOM 0 HA ALA A 46 19.670 34.354 17.718 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.043 33.040 16.410 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.529 33.336 15.477 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.244 31.742 16.214 1.00 0.00 H new ATOM 748 N GLY A 47 20.029 32.541 19.894 1.00 0.00 N ATOM 749 CA GLY A 47 19.638 31.921 21.158 1.00 0.00 C ATOM 750 C GLY A 47 19.378 30.418 21.040 1.00 0.00 C ATOM 751 O GLY A 47 18.874 29.810 21.985 1.00 0.00 O ATOM 0 H GLY A 47 20.964 32.949 19.905 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.422 32.090 21.896 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.738 32.410 21.532 1.00 0.00 H new ATOM 755 N LYS A 48 19.715 29.805 19.897 1.00 0.00 N ATOM 756 CA LYS A 48 19.489 28.356 19.715 1.00 0.00 C ATOM 757 C LYS A 48 20.798 27.597 19.526 1.00 0.00 C ATOM 758 O LYS A 48 21.714 28.059 18.845 1.00 0.00 O ATOM 759 CB LYS A 48 18.606 28.098 18.494 1.00 0.00 C ATOM 760 CG LYS A 48 17.225 28.717 18.705 1.00 0.00 C ATOM 761 CD LYS A 48 16.388 28.486 17.447 1.00 0.00 C ATOM 762 CE LYS A 48 14.999 29.098 17.626 1.00 0.00 C ATOM 763 NZ LYS A 48 14.286 28.396 18.729 1.00 0.00 N ATOM 0 H LYS A 48 20.137 30.275 19.096 1.00 0.00 H new ATOM 0 HA LYS A 48 18.998 28.000 20.621 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.071 28.521 17.603 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.510 27.025 18.325 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.738 28.268 19.571 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.316 29.784 18.908 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.883 28.931 16.584 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.301 27.418 17.249 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.085 30.161 17.852 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.431 29.014 16.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.263 28.557 18.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.482 27.376 18.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.615 28.764 19.644 1.00 0.00 H new ATOM 777 N GLN A 49 20.864 26.410 20.126 1.00 0.00 N ATOM 778 CA GLN A 49 22.037 25.563 20.026 1.00 0.00 C ATOM 779 C GLN A 49 22.032 24.808 18.700 1.00 0.00 C ATOM 780 O GLN A 49 21.008 24.252 18.302 1.00 0.00 O ATOM 781 CB GLN A 49 22.044 24.555 21.182 1.00 0.00 C ATOM 782 CG GLN A 49 22.219 25.292 22.512 1.00 0.00 C ATOM 783 CD GLN A 49 22.113 24.309 23.675 1.00 0.00 C ATOM 784 OE1 GLN A 49 22.861 23.331 23.735 1.00 0.00 O ATOM 785 NE2 GLN A 49 21.223 24.509 24.608 1.00 0.00 N ATOM 0 H GLN A 49 20.110 26.016 20.689 1.00 0.00 H new ATOM 0 HA GLN A 49 22.928 26.189 20.077 1.00 0.00 H new ATOM 0 HB2 GLN A 49 21.112 23.990 21.189 1.00 0.00 H new ATOM 0 HB3 GLN A 49 22.852 23.836 21.045 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.188 25.791 22.535 1.00 0.00 H new ATOM 0 HG3 GLN A 49 21.458 26.067 22.610 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.604 25.318 24.558 1.00 0.00 H new ATOM 0 HE22 GLN A 49 21.146 23.856 25.388 1.00 0.00 H new ATOM 794 N LEU A 50 23.169 24.799 18.014 1.00 0.00 N ATOM 795 CA LEU A 50 23.262 24.110 16.728 1.00 0.00 C ATOM 796 C LEU A 50 23.360 22.595 16.928 1.00 0.00 C ATOM 797 O LEU A 50 24.220 22.108 17.662 1.00 0.00 O ATOM 798 CB LEU A 50 24.479 24.617 15.950 1.00 0.00 C ATOM 799 CG LEU A 50 24.551 26.144 16.055 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.642 26.670 15.120 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.199 26.755 15.657 1.00 0.00 C ATOM 0 H LEU A 50 24.030 25.254 18.319 1.00 0.00 H new ATOM 0 HA LEU A 50 22.358 24.322 16.157 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.390 24.171 16.348 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.407 24.316 14.905 1.00 0.00 H new ATOM 0 HG LEU A 50 24.785 26.423 17.082 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.693 27.756 15.195 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.603 26.241 15.405 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.409 26.388 14.093 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.254 27.841 15.733 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.961 26.475 14.631 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.421 26.384 16.324 1.00 0.00 H new ATOM 813 N GLU A 51 22.458 21.864 16.271 1.00 0.00 N ATOM 814 CA GLU A 51 22.423 20.405 16.377 1.00 0.00 C ATOM 815 C GLU A 51 23.420 19.746 15.426 1.00 0.00 C ATOM 816 O GLU A 51 23.588 20.164 14.276 1.00 0.00 O ATOM 817 CB GLU A 51 21.009 19.892 16.063 1.00 0.00 C ATOM 818 CG GLU A 51 20.128 20.015 17.307 1.00 0.00 C ATOM 819 CD GLU A 51 18.716 19.524 17.000 1.00 0.00 C ATOM 820 OE1 GLU A 51 18.340 19.550 15.839 1.00 0.00 O ATOM 821 OE2 GLU A 51 18.033 19.128 17.930 1.00 0.00 O ATOM 0 H GLU A 51 21.743 22.258 15.660 1.00 0.00 H new ATOM 0 HA GLU A 51 22.699 20.142 17.398 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.578 20.465 15.242 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.053 18.853 15.738 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.555 19.432 18.123 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.096 21.053 17.639 1.00 0.00 H new ATOM 828 N ASP A 52 24.060 18.695 15.921 1.00 0.00 N ATOM 829 CA ASP A 52 25.025 17.958 15.132 1.00 0.00 C ATOM 830 C ASP A 52 24.336 17.235 13.978 1.00 0.00 C ATOM 831 O ASP A 52 23.302 16.593 14.164 1.00 0.00 O ATOM 832 CB ASP A 52 25.750 16.945 16.015 1.00 0.00 C ATOM 833 CG ASP A 52 26.598 17.672 17.054 1.00 0.00 C ATOM 834 OD1 ASP A 52 27.396 18.508 16.661 1.00 0.00 O ATOM 835 OD2 ASP A 52 26.437 17.384 18.229 1.00 0.00 O ATOM 0 H ASP A 52 23.925 18.337 16.867 1.00 0.00 H new ATOM 0 HA ASP A 52 25.747 18.663 14.720 1.00 0.00 H new ATOM 0 HB2 ASP A 52 25.026 16.299 16.512 1.00 0.00 H new ATOM 0 HB3 ASP A 52 26.382 16.303 15.402 1.00 0.00 H new ATOM 840 N GLY A 53 24.924 17.330 12.785 1.00 0.00 N ATOM 841 CA GLY A 53 24.366 16.670 11.602 1.00 0.00 C ATOM 842 C GLY A 53 23.586 17.650 10.720 1.00 0.00 C ATOM 843 O GLY A 53 23.214 17.311 9.597 1.00 0.00 O ATOM 0 H GLY A 53 25.782 17.854 12.612 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.172 16.221 11.022 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.708 15.859 11.914 1.00 0.00 H new ATOM 847 N ARG A 54 23.350 18.869 11.218 1.00 0.00 N ATOM 848 CA ARG A 54 22.623 19.874 10.432 1.00 0.00 C ATOM 849 C ARG A 54 23.598 20.803 9.709 1.00 0.00 C ATOM 850 O ARG A 54 24.756 20.933 10.104 1.00 0.00 O ATOM 851 CB ARG A 54 21.711 20.699 11.340 1.00 0.00 C ATOM 852 CG ARG A 54 20.657 19.788 11.975 1.00 0.00 C ATOM 853 CD ARG A 54 19.527 20.641 12.556 1.00 0.00 C ATOM 854 NE ARG A 54 18.699 21.177 11.481 1.00 0.00 N ATOM 855 CZ ARG A 54 17.875 20.393 10.794 1.00 0.00 C ATOM 856 NH1 ARG A 54 17.170 20.885 9.813 1.00 0.00 N ATOM 857 NH2 ARG A 54 17.766 19.131 11.108 1.00 0.00 N ATOM 0 H ARG A 54 23.645 19.180 12.143 1.00 0.00 H new ATOM 0 HA ARG A 54 22.018 19.351 9.691 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.300 21.187 12.117 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.226 21.488 10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.260 19.099 11.230 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.110 19.182 12.760 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.917 20.040 13.230 1.00 0.00 H new ATOM 0 HD3 ARG A 54 19.944 21.457 13.146 1.00 0.00 H new ATOM 0 HE ARG A 54 18.754 22.170 11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.251 21.873 9.572 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.538 20.282 9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.313 18.748 11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.134 18.527 10.582 1.00 0.00 H new ATOM 871 N THR A 55 23.115 21.455 8.650 1.00 0.00 N ATOM 872 CA THR A 55 23.941 22.387 7.873 1.00 0.00 C ATOM 873 C THR A 55 23.622 23.821 8.280 1.00 0.00 C ATOM 874 O THR A 55 22.558 24.083 8.839 1.00 0.00 O ATOM 875 CB THR A 55 23.658 22.207 6.378 1.00 0.00 C ATOM 876 OG1 THR A 55 22.259 22.299 6.149 1.00 0.00 O ATOM 877 CG2 THR A 55 24.165 20.837 5.917 1.00 0.00 C ATOM 0 H THR A 55 22.159 21.357 8.310 1.00 0.00 H new ATOM 0 HA THR A 55 24.993 22.180 8.070 1.00 0.00 H new ATOM 0 HB THR A 55 24.172 22.987 5.816 1.00 0.00 H new ATOM 0 HG1 THR A 55 21.816 22.629 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 55 23.962 20.713 4.853 1.00 0.00 H new ATOM 0 HG22 THR A 55 25.239 20.769 6.092 1.00 0.00 H new ATOM 0 HG23 THR A 55 23.656 20.053 6.478 1.00 0.00 H new ATOM 885 N LEU A 56 24.529 24.750 8.001 1.00 0.00 N ATOM 886 CA LEU A 56 24.283 26.142 8.363 1.00 0.00 C ATOM 887 C LEU A 56 23.017 26.650 7.665 1.00 0.00 C ATOM 888 O LEU A 56 22.241 27.394 8.262 1.00 0.00 O ATOM 889 CB LEU A 56 25.498 27.035 8.004 1.00 0.00 C ATOM 890 CG LEU A 56 26.524 27.049 9.155 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.166 25.664 9.295 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.611 28.094 8.859 1.00 0.00 C ATOM 0 H LEU A 56 25.420 24.573 7.537 1.00 0.00 H new ATOM 0 HA LEU A 56 24.137 26.195 9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.970 26.666 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.161 28.051 7.799 1.00 0.00 H new ATOM 0 HG LEU A 56 26.018 27.304 10.086 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.890 25.679 10.110 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.394 24.925 9.510 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.671 25.401 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.337 28.105 9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.115 27.841 7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.154 29.079 8.768 1.00 0.00 H new ATOM 904 N SER A 57 22.810 26.257 6.404 1.00 0.00 N ATOM 905 CA SER A 57 21.628 26.700 5.667 1.00 0.00 C ATOM 906 C SER A 57 20.379 26.539 6.518 1.00 0.00 C ATOM 907 O SER A 57 19.487 27.388 6.492 1.00 0.00 O ATOM 908 CB SER A 57 21.465 25.893 4.376 1.00 0.00 C ATOM 909 OG SER A 57 20.198 26.187 3.798 1.00 0.00 O ATOM 0 H SER A 57 23.435 25.643 5.882 1.00 0.00 H new ATOM 0 HA SER A 57 21.762 27.753 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 57 22.263 26.139 3.676 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.543 24.827 4.587 1.00 0.00 H new ATOM 0 HG SER A 57 20.089 25.674 2.970 1.00 0.00 H new ATOM 915 N ASP A 58 20.324 25.454 7.282 1.00 0.00 N ATOM 916 CA ASP A 58 19.180 25.207 8.145 1.00 0.00 C ATOM 917 C ASP A 58 18.923 26.441 9.000 1.00 0.00 C ATOM 918 O ASP A 58 17.783 26.874 9.168 1.00 0.00 O ATOM 919 CB ASP A 58 19.455 24.000 9.049 1.00 0.00 C ATOM 920 CG ASP A 58 19.634 22.740 8.206 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.697 22.372 7.517 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.706 22.158 8.266 1.00 0.00 O ATOM 0 H ASP A 58 21.051 24.739 7.320 1.00 0.00 H new ATOM 0 HA ASP A 58 18.304 24.995 7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.351 24.179 9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.630 23.864 9.748 1.00 0.00 H new ATOM 927 N TYR A 59 20.012 27.011 9.509 1.00 0.00 N ATOM 928 CA TYR A 59 19.957 28.214 10.336 1.00 0.00 C ATOM 929 C TYR A 59 20.401 29.428 9.517 1.00 0.00 C ATOM 930 O TYR A 59 21.578 29.544 9.213 1.00 0.00 O ATOM 931 CB TYR A 59 20.911 28.048 11.519 1.00 0.00 C ATOM 932 CG TYR A 59 20.559 26.798 12.291 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.215 25.590 12.015 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.581 26.849 13.288 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.889 24.435 12.738 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.254 25.696 14.010 1.00 0.00 C ATOM 937 CZ TYR A 59 19.907 24.490 13.735 1.00 0.00 C ATOM 938 OH TYR A 59 19.584 23.354 14.450 1.00 0.00 O ATOM 0 H TYR A 59 20.956 26.653 9.361 1.00 0.00 H new ATOM 0 HA TYR A 59 18.936 28.363 10.687 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.939 27.988 11.163 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.850 28.919 12.172 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.971 25.550 11.245 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.077 27.780 13.502 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.394 23.504 12.527 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.497 25.737 14.780 1.00 0.00 H new ATOM 0 HH TYR A 59 18.762 22.962 14.088 1.00 0.00 H new ATOM 948 N ASN A 60 19.445 30.275 9.106 1.00 0.00 N ATOM 949 CA ASN A 60 19.740 31.450 8.259 1.00 0.00 C ATOM 950 C ASN A 60 20.943 32.281 8.746 1.00 0.00 C ATOM 951 O ASN A 60 20.795 33.438 9.142 1.00 0.00 O ATOM 952 CB ASN A 60 18.505 32.357 8.170 1.00 0.00 C ATOM 953 CG ASN A 60 17.301 31.564 7.666 1.00 0.00 C ATOM 954 OD1 ASN A 60 16.899 30.583 8.290 1.00 0.00 O ATOM 955 ND2 ASN A 60 16.694 31.935 6.570 1.00 0.00 N ATOM 0 H ASN A 60 18.459 30.171 9.345 1.00 0.00 H new ATOM 0 HA ASN A 60 20.004 31.054 7.278 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.285 32.781 9.150 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.706 33.192 7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.887 31.411 6.232 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.027 32.748 6.053 1.00 0.00 H new ATOM 962 N ILE A 61 22.128 31.678 8.686 1.00 0.00 N ATOM 963 CA ILE A 61 23.376 32.331 9.082 1.00 0.00 C ATOM 964 C ILE A 61 24.098 32.821 7.824 1.00 0.00 C ATOM 965 O ILE A 61 24.711 32.025 7.116 1.00 0.00 O ATOM 966 CB ILE A 61 24.279 31.322 9.804 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.646 30.902 11.133 1.00 0.00 C ATOM 968 CG2 ILE A 61 25.652 31.948 10.072 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.419 29.708 11.700 1.00 0.00 C ATOM 0 H ILE A 61 22.251 30.719 8.360 1.00 0.00 H new ATOM 0 HA ILE A 61 23.155 33.167 9.745 1.00 0.00 H new ATOM 0 HB ILE A 61 24.397 30.444 9.169 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.666 31.733 11.838 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.600 30.636 10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.287 31.226 10.585 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.114 32.230 9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 61 25.533 32.834 10.696 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.974 29.403 12.647 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.375 28.878 10.995 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.459 29.992 11.863 1.00 0.00 H new ATOM 981 N GLN A 62 24.008 34.115 7.528 1.00 0.00 N ATOM 982 CA GLN A 62 24.650 34.649 6.322 1.00 0.00 C ATOM 983 C GLN A 62 26.106 35.026 6.566 1.00 0.00 C ATOM 984 O GLN A 62 26.602 34.979 7.692 1.00 0.00 O ATOM 985 CB GLN A 62 23.895 35.870 5.807 1.00 0.00 C ATOM 986 CG GLN A 62 22.449 35.483 5.501 1.00 0.00 C ATOM 987 CD GLN A 62 21.696 36.685 4.942 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.008 37.162 3.851 1.00 0.00 O ATOM 989 NE2 GLN A 62 20.720 37.208 5.631 1.00 0.00 N ATOM 0 H GLN A 62 23.509 34.804 8.091 1.00 0.00 H new ATOM 0 HA GLN A 62 24.623 33.856 5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 62 23.920 36.667 6.551 1.00 0.00 H new ATOM 0 HB3 GLN A 62 24.377 36.257 4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.427 34.663 4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.960 35.126 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.464 36.811 6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.213 38.014 5.266 1.00 0.00 H new ATOM 998 N LYS A 63 26.785 35.380 5.479 1.00 0.00 N ATOM 999 CA LYS A 63 28.194 35.740 5.544 1.00 0.00 C ATOM 1000 C LYS A 63 28.444 36.906 6.493 1.00 0.00 C ATOM 1001 O LYS A 63 27.617 37.811 6.637 1.00 0.00 O ATOM 1002 CB LYS A 63 28.735 36.076 4.144 1.00 0.00 C ATOM 1003 CG LYS A 63 28.050 37.319 3.559 1.00 0.00 C ATOM 1004 CD LYS A 63 28.565 37.532 2.129 1.00 0.00 C ATOM 1005 CE LYS A 63 27.697 38.559 1.400 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.811 39.881 2.078 1.00 0.00 N ATOM 0 H LYS A 63 26.381 35.425 4.544 1.00 0.00 H new ATOM 0 HA LYS A 63 28.726 34.873 5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 63 29.811 36.244 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.579 35.227 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.968 37.189 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.264 38.194 4.173 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.600 37.873 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.555 36.586 1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.012 38.644 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 63 26.657 38.231 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.332 40.606 1.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.366 39.829 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.815 40.131 2.184 1.00 0.00 H new ATOM 1020 N GLU A 64 29.609 36.864 7.135 1.00 0.00 N ATOM 1021 CA GLU A 64 30.026 37.902 8.071 1.00 0.00 C ATOM 1022 C GLU A 64 29.043 38.067 9.227 1.00 0.00 C ATOM 1023 O GLU A 64 28.366 39.088 9.340 1.00 0.00 O ATOM 1024 CB GLU A 64 30.209 39.226 7.332 1.00 0.00 C ATOM 1025 CG GLU A 64 31.225 39.023 6.204 1.00 0.00 C ATOM 1026 CD GLU A 64 31.512 40.349 5.510 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.391 41.059 5.972 1.00 0.00 O ATOM 1028 OE2 GLU A 64 30.856 40.631 4.522 1.00 0.00 O ATOM 0 H GLU A 64 30.288 36.111 7.021 1.00 0.00 H new ATOM 0 HA GLU A 64 30.977 37.593 8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 64 29.257 39.567 6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 64 30.557 39.997 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 64 32.149 38.608 6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 64 30.839 38.302 5.483 1.00 0.00 H new HETATM 1035 N SEP A 65 28.997 37.063 10.109 1.00 0.00 N HETATM 1036 CA SEP A 65 28.131 37.093 11.288 1.00 0.00 C HETATM 1037 CB SEP A 65 26.951 36.131 11.105 1.00 0.00 C HETATM 1038 OG SEP A 65 26.119 36.604 10.047 1.00 0.00 O HETATM 1039 C SEP A 65 28.957 36.667 12.502 1.00 0.00 C HETATM 1040 O SEP A 65 30.013 36.059 12.335 1.00 0.00 O HETATM 1041 P SEP A 65 24.892 37.483 10.356 1.00 0.00 P HETATM 1042 O1P SEP A 65 24.499 38.139 8.990 1.00 0.00 O HETATM 1043 O2P SEP A 65 25.386 38.517 11.423 1.00 0.00 O HETATM 1044 O3P SEP A 65 23.807 36.495 10.906 1.00 0.00 O HETATM 0 HB3 SEP A 65 27.315 35.129 10.877 1.00 0.00 H new HETATM 0 HB2 SEP A 65 26.378 36.059 12.030 1.00 0.00 H new HETATM 0 HA SEP A 65 27.737 38.099 11.430 1.00 0.00 H new ATOM 1049 N THR A 66 28.493 36.977 13.714 1.00 0.00 N ATOM 1050 CA THR A 66 29.237 36.596 14.922 1.00 0.00 C ATOM 1051 C THR A 66 28.577 35.402 15.604 1.00 0.00 C ATOM 1052 O THR A 66 27.391 35.436 15.936 1.00 0.00 O ATOM 1053 CB THR A 66 29.303 37.773 15.893 1.00 0.00 C ATOM 1054 OG1 THR A 66 29.980 38.856 15.270 1.00 0.00 O ATOM 1055 CG2 THR A 66 30.063 37.350 17.153 1.00 0.00 C ATOM 0 H THR A 66 27.623 37.481 13.887 1.00 0.00 H new ATOM 0 HA THR A 66 30.249 36.317 14.628 1.00 0.00 H new ATOM 0 HB THR A 66 28.294 38.082 16.166 1.00 0.00 H new ATOM 0 HG1 THR A 66 30.023 39.614 15.889 1.00 0.00 H new ATOM 0 HG21 THR A 66 30.111 38.189 17.848 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.546 36.516 17.627 1.00 0.00 H new ATOM 0 HG23 THR A 66 31.074 37.044 16.883 1.00 0.00 H new ATOM 1063 N LEU A 67 29.364 34.346 15.820 1.00 0.00 N ATOM 1064 CA LEU A 67 28.868 33.131 16.471 1.00 0.00 C ATOM 1065 C LEU A 67 29.289 33.125 17.939 1.00 0.00 C ATOM 1066 O LEU A 67 30.349 33.658 18.284 1.00 0.00 O ATOM 1067 CB LEU A 67 29.451 31.893 15.762 1.00 0.00 C ATOM 1068 CG LEU A 67 28.603 31.528 14.529 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.206 31.038 14.968 1.00 0.00 C ATOM 1070 CD2 LEU A 67 28.466 32.765 13.626 1.00 0.00 C ATOM 0 H LEU A 67 30.348 34.307 15.554 1.00 0.00 H new ATOM 0 HA LEU A 67 27.780 33.107 16.409 1.00 0.00 H new ATOM 0 HB2 LEU A 67 30.479 32.091 15.458 1.00 0.00 H new ATOM 0 HB3 LEU A 67 29.480 31.051 16.453 1.00 0.00 H new ATOM 0 HG LEU A 67 29.094 30.726 13.978 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.616 30.783 14.087 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.312 30.157 15.601 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.702 31.827 15.526 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.867 32.512 12.751 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.979 33.568 14.180 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.455 33.093 13.306 1.00 0.00 H new ATOM 1082 N HIS A 68 28.471 32.524 18.810 1.00 0.00 N ATOM 1083 CA HIS A 68 28.801 32.472 20.232 1.00 0.00 C ATOM 1084 C HIS A 68 29.488 31.144 20.570 1.00 0.00 C ATOM 1085 O HIS A 68 28.920 30.074 20.348 1.00 0.00 O ATOM 1086 CB HIS A 68 27.526 32.610 21.068 1.00 0.00 C ATOM 1087 CG HIS A 68 26.785 33.853 20.652 1.00 0.00 C ATOM 1088 ND1 HIS A 68 27.308 35.124 20.835 1.00 0.00 N ATOM 1089 CD2 HIS A 68 25.558 34.035 20.064 1.00 0.00 C ATOM 1090 CE1 HIS A 68 26.406 36.006 20.362 1.00 0.00 C ATOM 1091 NE2 HIS A 68 25.321 35.394 19.881 1.00 0.00 N ATOM 0 H HIS A 68 27.591 32.075 18.558 1.00 0.00 H new ATOM 0 HA HIS A 68 29.479 33.294 20.462 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.893 31.733 20.932 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.777 32.661 22.128 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.879 33.243 19.785 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.544 37.077 20.371 1.00 0.00 H new ATOM 0 HE2 HIS A 68 24.496 35.829 19.468 1.00 0.00 H new ATOM 1100 N LEU A 69 30.714 31.210 21.104 1.00 0.00 N ATOM 1101 CA LEU A 69 31.461 30.021 21.470 1.00 0.00 C ATOM 1102 C LEU A 69 31.520 29.942 22.981 1.00 0.00 C ATOM 1103 O LEU A 69 32.251 30.684 23.637 1.00 0.00 O ATOM 1104 CB LEU A 69 32.872 30.095 20.881 1.00 0.00 C ATOM 1105 CG LEU A 69 33.526 28.698 20.883 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.884 28.767 20.178 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.729 28.209 22.328 1.00 0.00 C ATOM 0 H LEU A 69 31.204 32.085 21.289 1.00 0.00 H new ATOM 0 HA LEU A 69 30.974 29.129 21.075 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.829 30.482 19.863 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.480 30.790 21.461 1.00 0.00 H new ATOM 0 HG LEU A 69 32.872 28.002 20.358 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.345 27.780 20.180 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.744 29.100 19.150 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.531 29.471 20.702 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.191 27.222 22.317 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.376 28.906 22.861 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.764 28.152 22.832 1.00 0.00 H new ATOM 1119 N VAL A 70 30.741 29.025 23.517 1.00 0.00 N ATOM 1120 CA VAL A 70 30.676 28.803 24.959 1.00 0.00 C ATOM 1121 C VAL A 70 31.316 27.463 25.308 1.00 0.00 C ATOM 1122 O VAL A 70 31.202 26.499 24.553 1.00 0.00 O ATOM 1123 CB VAL A 70 29.214 28.821 25.409 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.138 28.631 26.923 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.585 30.167 25.033 1.00 0.00 C ATOM 0 H VAL A 70 30.134 28.411 22.973 1.00 0.00 H new ATOM 0 HA VAL A 70 31.221 29.595 25.473 1.00 0.00 H new ATOM 0 HB VAL A 70 28.674 28.012 24.917 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.095 28.644 27.239 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.587 27.675 27.193 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.678 29.438 27.419 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.543 30.183 25.352 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.128 30.973 25.526 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.636 30.303 23.953 1.00 0.00 H new ATOM 1135 N LEU A 71 31.991 27.417 26.449 1.00 0.00 N ATOM 1136 CA LEU A 71 32.653 26.196 26.891 1.00 0.00 C ATOM 1137 C LEU A 71 31.646 25.221 27.483 1.00 0.00 C ATOM 1138 O LEU A 71 30.440 25.470 27.470 1.00 0.00 O ATOM 1139 CB LEU A 71 33.731 26.520 27.930 1.00 0.00 C ATOM 1140 CG LEU A 71 34.513 27.778 27.504 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.762 27.927 28.376 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.931 27.663 26.029 1.00 0.00 C ATOM 0 H LEU A 71 32.095 28.208 27.084 1.00 0.00 H new ATOM 0 HA LEU A 71 33.121 25.732 26.023 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.271 26.681 28.905 1.00 0.00 H new ATOM 0 HB3 LEU A 71 34.413 25.676 28.034 1.00 0.00 H new ATOM 0 HG LEU A 71 33.874 28.652 27.629 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.313 28.817 28.073 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.467 28.021 29.421 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.396 27.049 28.256 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.483 28.556 25.737 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.564 26.786 25.898 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.042 27.565 25.406 1.00 0.00 H new ATOM 1154 N ARG A 72 32.154 24.112 27.999 1.00 0.00 N ATOM 1155 CA ARG A 72 31.297 23.101 28.599 1.00 0.00 C ATOM 1156 C ARG A 72 30.437 23.721 29.694 1.00 0.00 C ATOM 1157 O ARG A 72 29.251 23.410 29.817 1.00 0.00 O ATOM 1158 CB ARG A 72 32.153 21.982 29.195 1.00 0.00 C ATOM 1159 CG ARG A 72 31.261 20.797 29.569 1.00 0.00 C ATOM 1160 CD ARG A 72 32.113 19.698 30.207 1.00 0.00 C ATOM 1161 NE ARG A 72 32.682 20.167 31.465 1.00 0.00 N ATOM 1162 CZ ARG A 72 33.579 19.442 32.126 1.00 0.00 C ATOM 1163 NH1 ARG A 72 34.076 19.884 33.247 1.00 0.00 N ATOM 1164 NH2 ARG A 72 33.962 18.287 31.652 1.00 0.00 N ATOM 0 H ARG A 72 33.149 23.890 28.015 1.00 0.00 H new ATOM 0 HA ARG A 72 30.648 22.690 27.826 1.00 0.00 H new ATOM 0 HB2 ARG A 72 32.910 21.668 28.477 1.00 0.00 H new ATOM 0 HB3 ARG A 72 32.681 22.345 30.077 1.00 0.00 H new ATOM 0 HG2 ARG A 72 30.484 21.118 30.263 1.00 0.00 H new ATOM 0 HG3 ARG A 72 30.758 20.413 28.682 1.00 0.00 H new ATOM 0 HD2 ARG A 72 31.503 18.812 30.383 1.00 0.00 H new ATOM 0 HD3 ARG A 72 32.911 19.405 29.525 1.00 0.00 H new ATOM 0 HE ARG A 72 32.387 21.067 31.844 1.00 0.00 H new ATOM 0 HH11 ARG A 72 33.777 20.786 33.617 1.00 0.00 H new ATOM 0 HH12 ARG A 72 34.764 19.328 33.754 1.00 0.00 H new ATOM 0 HH21 ARG A 72 33.573 17.941 30.775 1.00 0.00 H new ATOM 0 HH22 ARG A 72 34.650 17.731 32.159 1.00 0.00 H new ATOM 1178 N LEU A 73 31.040 24.603 30.483 1.00 0.00 N ATOM 1179 CA LEU A 73 30.317 25.261 31.563 1.00 0.00 C ATOM 1180 C LEU A 73 29.399 26.346 31.004 1.00 0.00 C ATOM 1181 O LEU A 73 29.817 27.170 30.190 1.00 0.00 O ATOM 1182 CB LEU A 73 31.306 25.880 32.562 1.00 0.00 C ATOM 1183 CG LEU A 73 32.475 24.915 32.812 1.00 0.00 C ATOM 1184 CD1 LEU A 73 33.393 25.477 33.905 1.00 0.00 C ATOM 1185 CD2 LEU A 73 31.933 23.555 33.261 1.00 0.00 C ATOM 0 H LEU A 73 32.019 24.877 30.396 1.00 0.00 H new ATOM 0 HA LEU A 73 29.710 24.516 32.078 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.682 26.827 32.175 1.00 0.00 H new ATOM 0 HB3 LEU A 73 30.798 26.099 33.501 1.00 0.00 H new ATOM 0 HG LEU A 73 33.041 24.798 31.888 1.00 0.00 H new ATOM 0 HD11 LEU A 73 34.219 24.787 34.076 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.787 26.443 33.588 1.00 0.00 H new ATOM 0 HD13 LEU A 73 32.826 25.601 34.828 1.00 0.00 H new ATOM 0 HD21 LEU A 73 32.764 22.872 33.438 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.362 23.677 34.181 1.00 0.00 H new ATOM 0 HD23 LEU A 73 31.287 23.146 32.484 1.00 0.00 H new ATOM 1197 N ARG A 74 28.145 26.335 31.447 1.00 0.00 N ATOM 1198 CA ARG A 74 27.168 27.317 30.988 1.00 0.00 C ATOM 1199 C ARG A 74 27.574 28.724 31.419 1.00 0.00 C ATOM 1200 O ARG A 74 27.462 29.678 30.649 1.00 0.00 O ATOM 1201 CB ARG A 74 25.792 26.983 31.564 1.00 0.00 C ATOM 1202 CG ARG A 74 25.243 25.729 30.882 1.00 0.00 C ATOM 1203 CD ARG A 74 23.840 25.433 31.411 1.00 0.00 C ATOM 1204 NE ARG A 74 23.390 24.124 30.949 1.00 0.00 N ATOM 1205 CZ ARG A 74 22.213 23.631 31.321 1.00 0.00 C ATOM 1206 NH1 ARG A 74 21.834 22.457 30.897 1.00 0.00 N ATOM 1207 NH2 ARG A 74 21.438 24.321 32.113 1.00 0.00 N ATOM 0 H ARG A 74 27.783 25.660 32.120 1.00 0.00 H new ATOM 0 HA ARG A 74 27.129 27.283 29.899 1.00 0.00 H new ATOM 0 HB2 ARG A 74 25.866 26.822 32.640 1.00 0.00 H new ATOM 0 HB3 ARG A 74 25.110 27.820 31.413 1.00 0.00 H new ATOM 0 HG2 ARG A 74 25.213 25.873 29.802 1.00 0.00 H new ATOM 0 HG3 ARG A 74 25.901 24.881 31.072 1.00 0.00 H new ATOM 0 HD2 ARG A 74 23.842 25.461 32.501 1.00 0.00 H new ATOM 0 HD3 ARG A 74 23.147 26.203 31.073 1.00 0.00 H new ATOM 0 HE ARG A 74 23.989 23.578 30.330 1.00 0.00 H new ATOM 0 HH11 ARG A 74 22.441 21.917 30.280 1.00 0.00 H new ATOM 0 HH12 ARG A 74 20.931 22.079 31.183 1.00 0.00 H new ATOM 0 HH21 ARG A 74 21.736 25.238 32.446 1.00 0.00 H new ATOM 0 HH22 ARG A 74 20.535 23.943 32.399 1.00 0.00 H new ATOM 1221 N GLY A 75 28.043 28.846 32.657 1.00 0.00 N ATOM 1222 CA GLY A 75 28.462 30.142 33.180 1.00 0.00 C ATOM 1223 C GLY A 75 29.035 30.003 34.586 1.00 0.00 C ATOM 1224 O GLY A 75 28.846 28.983 35.247 1.00 0.00 O ATOM 0 H GLY A 75 28.142 28.070 33.312 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.211 30.580 32.520 1.00 0.00 H new ATOM 0 HA3 GLY A 75 27.612 30.824 33.195 1.00 0.00 H new ATOM 1228 N GLY A 76 29.736 31.039 35.038 1.00 0.00 N ATOM 1229 CA GLY A 76 30.332 31.024 36.370 1.00 0.00 C ATOM 1230 C GLY A 76 31.430 32.075 36.487 1.00 0.00 C ATOM 1231 O GLY A 76 31.234 33.027 37.225 1.00 0.00 O ATOM 1232 OXT GLY A 76 32.449 31.915 35.836 1.00 0.00 O ATOM 0 H GLY A 76 29.904 31.893 34.506 1.00 0.00 H new ATOM 0 HA2 GLY A 76 29.563 31.211 37.119 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.745 30.037 36.577 1.00 0.00 H new TER 1236 GLY A 76