USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 584 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 66 THR OG1 : rot 96:sc= -0.0904 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -1.65! C(o=-1.7!,f=-14!) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 62 GLN : amide:sc=-0.00918 K(o=-0.0092,f=-0.99) USER MOD Set 3.1: A 7 THR OG1 : rot -50:sc= 0.619 USER MOD Set 3.2: A 9 THR OG1 : rot -170:sc= -0.0705 USER MOD Single : A 2 GLN : amide:sc= -2.66! C(o=-2.7!,f=-3.9!) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.062 (180deg=-0.591) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc=-0.00567 (180deg=-0.192) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.381 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.861 F(o=-2.4,f=-0.86) USER MOD Single : A 27 LYS NZ :NH3+ -133:sc= -0.0022 (180deg=-0.635) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc=-0.00596 (180deg=-0.199) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ 152:sc= -0.93 (180deg=-2.58!) USER MOD Single : A 40 GLN : amide:sc=-0.00659 X(o=-0.0066,f=-0.0048) USER MOD Single : A 41 GLN : amide:sc= -0.813 K(o=-0.81,f=-3!) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.453 F(o=-2.6!,f=-0.45) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 11:sc= 0.913 USER MOD Single : A 59 TYR OH : rot 150:sc= -0.189 USER MOD Single : A 60 ASN :FLIP amide:sc= -1.32 F(o=-2!,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 28.161 27.761 2.762 1.00 0.00 N ATOM 21 CA GLN A 2 28.505 28.963 3.517 1.00 0.00 C ATOM 22 C GLN A 2 27.641 29.081 4.771 1.00 0.00 C ATOM 23 O GLN A 2 26.418 29.195 4.686 1.00 0.00 O ATOM 24 CB GLN A 2 28.312 30.199 2.633 1.00 0.00 C ATOM 25 CG GLN A 2 27.062 30.014 1.766 1.00 0.00 C ATOM 26 CD GLN A 2 27.373 29.097 0.587 1.00 0.00 C ATOM 27 OE1 GLN A 2 28.482 29.127 0.052 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.457 28.278 0.149 1.00 0.00 N ATOM 0 HA GLN A 2 29.549 28.894 3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 2 28.210 31.090 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 2 29.188 30.348 2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.255 29.590 2.364 1.00 0.00 H new ATOM 0 HG3 GLN A 2 26.715 30.981 1.403 1.00 0.00 H new ATOM 0 HE21 GLN A 2 25.539 28.255 0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 2 26.659 27.661 -0.638 1.00 0.00 H new ATOM 37 N ILE A 3 28.285 29.061 5.937 1.00 0.00 N ATOM 38 CA ILE A 3 27.565 29.177 7.207 1.00 0.00 C ATOM 39 C ILE A 3 27.656 30.603 7.746 1.00 0.00 C ATOM 40 O ILE A 3 28.643 31.303 7.517 1.00 0.00 O ATOM 41 CB ILE A 3 28.142 28.204 8.233 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.626 28.508 8.471 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.999 26.772 7.715 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.153 27.625 9.605 1.00 0.00 C ATOM 0 H ILE A 3 29.296 28.966 6.030 1.00 0.00 H new ATOM 0 HA ILE A 3 26.518 28.932 7.029 1.00 0.00 H new ATOM 0 HB ILE A 3 27.598 28.315 9.171 1.00 0.00 H new ATOM 0 HG12 ILE A 3 30.196 28.327 7.560 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.756 29.560 8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.411 26.077 8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.945 26.547 7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.539 26.670 6.774 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.208 27.841 9.774 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.590 27.828 10.516 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.037 26.576 9.333 1.00 0.00 H new ATOM 56 N PHE A 4 26.614 31.029 8.452 1.00 0.00 N ATOM 57 CA PHE A 4 26.565 32.381 9.017 1.00 0.00 C ATOM 58 C PHE A 4 26.974 32.366 10.482 1.00 0.00 C ATOM 59 O PHE A 4 26.434 31.584 11.263 1.00 0.00 O ATOM 60 CB PHE A 4 25.144 32.932 8.897 1.00 0.00 C ATOM 61 CG PHE A 4 24.813 33.189 7.445 1.00 0.00 C ATOM 62 CD1 PHE A 4 24.200 32.189 6.681 1.00 0.00 C ATOM 63 CD2 PHE A 4 25.109 34.429 6.866 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.886 32.427 5.338 1.00 0.00 C ATOM 65 CE2 PHE A 4 24.796 34.667 5.522 1.00 0.00 C ATOM 66 CZ PHE A 4 24.183 33.666 4.759 1.00 0.00 C ATOM 0 H PHE A 4 25.790 30.461 8.649 1.00 0.00 H new ATOM 0 HA PHE A 4 27.259 33.014 8.464 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.433 32.223 9.321 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.053 33.856 9.469 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.969 31.233 7.128 1.00 0.00 H new ATOM 0 HD2 PHE A 4 25.579 35.202 7.456 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.415 31.655 4.749 1.00 0.00 H new ATOM 0 HE2 PHE A 4 25.027 35.622 5.074 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.939 33.850 3.723 1.00 0.00 H new ATOM 76 N VAL A 5 27.919 33.236 10.860 1.00 0.00 N ATOM 77 CA VAL A 5 28.378 33.312 12.248 1.00 0.00 C ATOM 78 C VAL A 5 27.982 34.643 12.868 1.00 0.00 C ATOM 79 O VAL A 5 28.427 35.707 12.439 1.00 0.00 O ATOM 80 CB VAL A 5 29.899 33.131 12.316 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.412 33.525 13.710 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.231 31.659 12.068 1.00 0.00 C ATOM 0 H VAL A 5 28.377 33.892 10.227 1.00 0.00 H new ATOM 0 HA VAL A 5 27.902 32.510 12.812 1.00 0.00 H new ATOM 0 HB VAL A 5 30.372 33.762 11.564 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.493 33.394 13.750 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.166 34.568 13.907 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.941 32.893 14.463 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.311 31.517 12.114 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.751 31.044 12.830 1.00 0.00 H new ATOM 0 HG23 VAL A 5 29.868 31.365 11.083 1.00 0.00 H new ATOM 92 N LYS A 6 27.137 34.554 13.874 1.00 0.00 N ATOM 93 CA LYS A 6 26.655 35.734 14.577 1.00 0.00 C ATOM 94 C LYS A 6 27.540 36.037 15.789 1.00 0.00 C ATOM 95 O LYS A 6 27.496 35.326 16.792 1.00 0.00 O ATOM 96 CB LYS A 6 25.217 35.471 15.020 1.00 0.00 C ATOM 97 CG LYS A 6 24.494 36.783 15.306 1.00 0.00 C ATOM 98 CD LYS A 6 23.086 36.457 15.807 1.00 0.00 C ATOM 99 CE LYS A 6 22.299 37.746 16.041 1.00 0.00 C ATOM 100 NZ LYS A 6 22.126 38.465 14.748 1.00 0.00 N ATOM 0 H LYS A 6 26.765 33.673 14.228 1.00 0.00 H new ATOM 0 HA LYS A 6 26.691 36.600 13.916 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.687 34.919 14.244 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.215 34.846 15.913 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.038 37.361 16.053 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.444 37.393 14.404 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.568 35.833 15.079 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.145 35.885 16.733 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.326 37.517 16.475 1.00 0.00 H new ATOM 0 HE3 LYS A 6 22.824 38.381 16.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.323 39.122 14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.991 38.999 14.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.943 37.777 13.990 1.00 0.00 H new ATOM 114 N THR A 7 28.346 37.092 15.683 1.00 0.00 N ATOM 115 CA THR A 7 29.240 37.474 16.777 1.00 0.00 C ATOM 116 C THR A 7 28.435 38.063 17.931 1.00 0.00 C ATOM 117 O THR A 7 27.230 38.278 17.801 1.00 0.00 O ATOM 118 CB THR A 7 30.270 38.494 16.292 1.00 0.00 C ATOM 119 OG1 THR A 7 29.601 39.680 15.890 1.00 0.00 O ATOM 120 CG2 THR A 7 31.057 37.915 15.111 1.00 0.00 C ATOM 0 H THR A 7 28.399 37.693 14.860 1.00 0.00 H new ATOM 0 HA THR A 7 29.763 36.583 17.124 1.00 0.00 H new ATOM 0 HB THR A 7 30.964 38.724 17.101 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.865 39.451 15.285 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.790 38.646 14.769 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.570 37.007 15.426 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.371 37.680 14.297 1.00 0.00 H new ATOM 128 N LEU A 8 29.088 38.320 19.064 1.00 0.00 N ATOM 129 CA LEU A 8 28.390 38.877 20.218 1.00 0.00 C ATOM 130 C LEU A 8 28.174 40.379 20.058 1.00 0.00 C ATOM 131 O LEU A 8 27.225 40.937 20.609 1.00 0.00 O ATOM 132 CB LEU A 8 29.201 38.610 21.498 1.00 0.00 C ATOM 133 CG LEU A 8 28.284 38.726 22.738 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.591 37.384 23.009 1.00 0.00 C ATOM 135 CD2 LEU A 8 29.114 39.117 23.966 1.00 0.00 C ATOM 0 H LEU A 8 30.084 38.154 19.205 1.00 0.00 H new ATOM 0 HA LEU A 8 27.416 38.393 20.290 1.00 0.00 H new ATOM 0 HB2 LEU A 8 29.646 37.616 21.456 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.022 39.323 21.574 1.00 0.00 H new ATOM 0 HG LEU A 8 27.532 39.491 22.544 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.948 37.477 23.884 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.989 37.104 22.144 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.343 36.616 23.191 1.00 0.00 H new ATOM 0 HD21 LEU A 8 28.462 39.197 24.836 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.872 38.356 24.150 1.00 0.00 H new ATOM 0 HD23 LEU A 8 29.599 40.077 23.787 1.00 0.00 H new ATOM 147 N THR A 9 29.059 41.032 19.313 1.00 0.00 N ATOM 148 CA THR A 9 28.941 42.472 19.107 1.00 0.00 C ATOM 149 C THR A 9 27.816 42.781 18.127 1.00 0.00 C ATOM 150 O THR A 9 27.558 43.942 17.810 1.00 0.00 O ATOM 151 CB THR A 9 30.258 43.043 18.577 1.00 0.00 C ATOM 152 OG1 THR A 9 30.511 42.524 17.279 1.00 0.00 O ATOM 153 CG2 THR A 9 31.400 42.656 19.518 1.00 0.00 C ATOM 0 H THR A 9 29.855 40.596 18.848 1.00 0.00 H new ATOM 0 HA THR A 9 28.711 42.936 20.066 1.00 0.00 H new ATOM 0 HB THR A 9 30.188 44.129 18.525 1.00 0.00 H new ATOM 0 HG1 THR A 9 31.422 42.760 17.004 1.00 0.00 H new ATOM 0 HG21 THR A 9 32.337 43.063 19.139 1.00 0.00 H new ATOM 0 HG22 THR A 9 31.205 43.059 20.512 1.00 0.00 H new ATOM 0 HG23 THR A 9 31.473 41.570 19.574 1.00 0.00 H new ATOM 161 N GLY A 10 27.144 41.735 17.655 1.00 0.00 N ATOM 162 CA GLY A 10 26.043 41.908 16.714 1.00 0.00 C ATOM 163 C GLY A 10 26.555 42.005 15.284 1.00 0.00 C ATOM 164 O GLY A 10 25.806 42.355 14.371 1.00 0.00 O ATOM 0 H GLY A 10 27.341 40.766 17.906 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.352 41.070 16.800 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.484 42.809 16.965 1.00 0.00 H new ATOM 168 N LYS A 11 27.828 41.666 15.082 1.00 0.00 N ATOM 169 CA LYS A 11 28.415 41.687 13.746 1.00 0.00 C ATOM 170 C LYS A 11 28.248 40.324 13.095 1.00 0.00 C ATOM 171 O LYS A 11 28.687 39.311 13.638 1.00 0.00 O ATOM 172 CB LYS A 11 29.903 42.043 13.829 1.00 0.00 C ATOM 173 CG LYS A 11 30.071 43.446 14.440 1.00 0.00 C ATOM 174 CD LYS A 11 29.905 44.517 13.354 1.00 0.00 C ATOM 175 CE LYS A 11 30.272 45.885 13.926 1.00 0.00 C ATOM 176 NZ LYS A 11 29.286 46.266 14.974 1.00 0.00 N ATOM 0 H LYS A 11 28.467 41.376 15.822 1.00 0.00 H new ATOM 0 HA LYS A 11 27.906 42.441 13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.429 41.307 14.437 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.349 42.014 12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.334 43.599 15.228 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.054 43.535 14.902 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.542 44.286 12.500 1.00 0.00 H new ATOM 0 HD3 LYS A 11 28.877 44.526 12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.276 45.856 14.349 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.282 46.632 13.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.410 47.269 15.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 28.322 46.113 14.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.437 45.682 15.821 1.00 0.00 H new ATOM 190 N THR A 12 27.609 40.297 11.934 1.00 0.00 N ATOM 191 CA THR A 12 27.386 39.042 11.220 1.00 0.00 C ATOM 192 C THR A 12 28.440 38.840 10.140 1.00 0.00 C ATOM 193 O THR A 12 28.602 39.682 9.257 1.00 0.00 O ATOM 194 CB THR A 12 26.003 39.065 10.567 1.00 0.00 C ATOM 195 OG1 THR A 12 25.014 39.282 11.563 1.00 0.00 O ATOM 196 CG2 THR A 12 25.742 37.725 9.868 1.00 0.00 C ATOM 0 H THR A 12 27.237 41.123 11.466 1.00 0.00 H new ATOM 0 HA THR A 12 27.452 38.223 11.936 1.00 0.00 H new ATOM 0 HB THR A 12 25.962 39.869 9.832 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.128 39.299 11.146 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.756 37.743 9.403 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.501 37.560 9.103 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.783 36.919 10.600 1.00 0.00 H new ATOM 204 N ILE A 13 29.155 37.718 10.209 1.00 0.00 N ATOM 205 CA ILE A 13 30.193 37.411 9.219 1.00 0.00 C ATOM 206 C ILE A 13 30.023 35.984 8.714 1.00 0.00 C ATOM 207 O ILE A 13 29.866 35.047 9.495 1.00 0.00 O ATOM 208 CB ILE A 13 31.580 37.567 9.843 1.00 0.00 C ATOM 209 CG1 ILE A 13 32.655 37.440 8.753 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.786 36.477 10.897 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.044 37.394 9.397 1.00 0.00 C ATOM 0 H ILE A 13 29.038 37.010 10.933 1.00 0.00 H new ATOM 0 HA ILE A 13 30.095 38.105 8.385 1.00 0.00 H new ATOM 0 HB ILE A 13 31.660 38.548 10.312 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.486 36.537 8.166 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.590 38.284 8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.774 36.585 11.344 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.025 36.571 11.672 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.706 35.497 10.427 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.803 37.304 8.620 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.213 38.309 9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 13 34.107 36.536 10.066 1.00 0.00 H new ATOM 223 N THR A 14 30.018 35.835 7.399 1.00 0.00 N ATOM 224 CA THR A 14 29.833 34.525 6.782 1.00 0.00 C ATOM 225 C THR A 14 31.150 33.760 6.702 1.00 0.00 C ATOM 226 O THR A 14 32.220 34.341 6.511 1.00 0.00 O ATOM 227 CB THR A 14 29.236 34.691 5.382 1.00 0.00 C ATOM 228 OG1 THR A 14 28.034 35.444 5.479 1.00 0.00 O ATOM 229 CG2 THR A 14 28.926 33.313 4.783 1.00 0.00 C ATOM 0 H THR A 14 30.139 36.601 6.737 1.00 0.00 H new ATOM 0 HA THR A 14 29.147 33.949 7.404 1.00 0.00 H new ATOM 0 HB THR A 14 29.949 35.208 4.740 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.309 34.864 5.791 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.501 33.437 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.845 32.730 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.211 32.792 5.420 1.00 0.00 H new ATOM 237 N LEU A 15 31.048 32.445 6.873 1.00 0.00 N ATOM 238 CA LEU A 15 32.207 31.552 6.848 1.00 0.00 C ATOM 239 C LEU A 15 32.064 30.510 5.734 1.00 0.00 C ATOM 240 O LEU A 15 31.050 29.817 5.644 1.00 0.00 O ATOM 241 CB LEU A 15 32.304 30.838 8.221 1.00 0.00 C ATOM 242 CG LEU A 15 33.737 30.874 8.774 1.00 0.00 C ATOM 243 CD1 LEU A 15 34.025 32.255 9.369 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.881 29.812 9.872 1.00 0.00 C ATOM 0 H LEU A 15 30.161 31.967 7.033 1.00 0.00 H new ATOM 0 HA LEU A 15 33.109 32.133 6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.627 31.316 8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.979 29.803 8.118 1.00 0.00 H new ATOM 0 HG LEU A 15 34.442 30.672 7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 15 35.042 32.278 9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 15 33.917 33.014 8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 15 33.321 32.457 10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.896 29.833 10.268 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.174 30.021 10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 15 33.675 28.827 9.454 1.00 0.00 H new ATOM 256 N GLU A 16 33.100 30.382 4.917 1.00 0.00 N ATOM 257 CA GLU A 16 33.097 29.390 3.839 1.00 0.00 C ATOM 258 C GLU A 16 33.800 28.131 4.334 1.00 0.00 C ATOM 259 O GLU A 16 34.953 28.189 4.760 1.00 0.00 O ATOM 260 CB GLU A 16 33.823 29.934 2.604 1.00 0.00 C ATOM 261 CG GLU A 16 33.049 31.124 2.033 1.00 0.00 C ATOM 262 CD GLU A 16 33.907 31.859 1.009 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.013 31.407 0.758 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.447 32.862 0.490 1.00 0.00 O ATOM 0 H GLU A 16 33.949 30.945 4.975 1.00 0.00 H new ATOM 0 HA GLU A 16 32.068 29.163 3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 16 34.835 30.240 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.915 29.152 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.126 30.779 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 16 32.765 31.803 2.837 1.00 0.00 H new ATOM 271 N VAL A 17 33.108 26.995 4.281 1.00 0.00 N ATOM 272 CA VAL A 17 33.694 25.732 4.735 1.00 0.00 C ATOM 273 C VAL A 17 33.060 24.550 4.016 1.00 0.00 C ATOM 274 O VAL A 17 32.091 24.693 3.274 1.00 0.00 O ATOM 275 CB VAL A 17 33.521 25.586 6.261 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.036 25.605 6.642 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.145 24.280 6.776 1.00 0.00 C ATOM 0 H VAL A 17 32.152 26.921 3.933 1.00 0.00 H new ATOM 0 HA VAL A 17 34.758 25.742 4.498 1.00 0.00 H new ATOM 0 HB VAL A 17 34.033 26.431 6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 17 31.936 25.501 7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.591 26.549 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 17 31.523 24.779 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 17 34.005 24.210 7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 17 33.663 23.431 6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.211 24.271 6.548 1.00 0.00 H new ATOM 287 N GLU A 18 33.624 23.391 4.276 1.00 0.00 N ATOM 288 CA GLU A 18 33.135 22.134 3.697 1.00 0.00 C ATOM 289 C GLU A 18 32.241 21.416 4.716 1.00 0.00 C ATOM 290 O GLU A 18 32.563 21.403 5.903 1.00 0.00 O ATOM 291 CB GLU A 18 34.309 21.229 3.318 1.00 0.00 C ATOM 292 CG GLU A 18 35.201 21.948 2.307 1.00 0.00 C ATOM 293 CD GLU A 18 36.436 21.105 2.009 1.00 0.00 C ATOM 294 OE1 GLU A 18 36.657 20.140 2.722 1.00 0.00 O ATOM 295 OE2 GLU A 18 37.143 21.437 1.072 1.00 0.00 O ATOM 0 H GLU A 18 34.431 23.281 4.890 1.00 0.00 H new ATOM 0 HA GLU A 18 32.561 22.359 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.884 20.970 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.940 20.295 2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.646 22.133 1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 18 35.500 22.920 2.700 1.00 0.00 H new ATOM 302 N PRO A 19 31.135 20.830 4.308 1.00 0.00 N ATOM 303 CA PRO A 19 30.220 20.132 5.263 1.00 0.00 C ATOM 304 C PRO A 19 30.881 18.909 5.900 1.00 0.00 C ATOM 305 O PRO A 19 30.341 18.321 6.839 1.00 0.00 O ATOM 306 CB PRO A 19 29.011 19.736 4.394 1.00 0.00 C ATOM 307 CG PRO A 19 29.539 19.687 2.996 1.00 0.00 C ATOM 308 CD PRO A 19 30.632 20.754 2.921 1.00 0.00 C ATOM 0 HA PRO A 19 29.942 20.765 6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.606 18.770 4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.204 20.463 4.486 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.940 18.700 2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.748 19.887 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.420 20.473 2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.235 21.712 2.585 1.00 0.00 H new ATOM 316 N SER A 20 32.049 18.533 5.388 1.00 0.00 N ATOM 317 CA SER A 20 32.777 17.381 5.918 1.00 0.00 C ATOM 318 C SER A 20 33.803 17.835 6.950 1.00 0.00 C ATOM 319 O SER A 20 34.153 17.085 7.861 1.00 0.00 O ATOM 320 CB SER A 20 33.472 16.638 4.779 1.00 0.00 C ATOM 321 OG SER A 20 34.412 15.721 5.320 1.00 0.00 O ATOM 0 H SER A 20 32.511 19.005 4.611 1.00 0.00 H new ATOM 0 HA SER A 20 32.069 16.708 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.737 16.108 4.174 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.975 17.347 4.121 1.00 0.00 H new ATOM 0 HG SER A 20 34.858 15.242 4.591 1.00 0.00 H new ATOM 327 N ASP A 21 34.297 19.061 6.796 1.00 0.00 N ATOM 328 CA ASP A 21 35.288 19.595 7.710 1.00 0.00 C ATOM 329 C ASP A 21 34.823 19.425 9.150 1.00 0.00 C ATOM 330 O ASP A 21 33.625 19.474 9.440 1.00 0.00 O ATOM 331 CB ASP A 21 35.503 21.080 7.404 1.00 0.00 C ATOM 332 CG ASP A 21 36.444 21.258 6.215 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.868 20.257 5.662 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.722 22.396 5.869 1.00 0.00 O ATOM 0 H ASP A 21 34.024 19.698 6.047 1.00 0.00 H new ATOM 0 HA ASP A 21 36.225 19.054 7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 21 34.545 21.554 7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.917 21.580 8.279 1.00 0.00 H new ATOM 339 N THR A 22 35.783 19.239 10.048 1.00 0.00 N ATOM 340 CA THR A 22 35.468 19.074 11.459 1.00 0.00 C ATOM 341 C THR A 22 35.265 20.434 12.120 1.00 0.00 C ATOM 342 O THR A 22 35.405 21.484 11.480 1.00 0.00 O ATOM 343 CB THR A 22 36.593 18.313 12.167 1.00 0.00 C ATOM 344 OG1 THR A 22 37.762 19.118 12.198 1.00 0.00 O ATOM 345 CG2 THR A 22 36.884 17.012 11.416 1.00 0.00 C ATOM 0 H THR A 22 36.778 19.199 9.826 1.00 0.00 H new ATOM 0 HA THR A 22 34.545 18.501 11.543 1.00 0.00 H new ATOM 0 HB THR A 22 36.287 18.079 13.187 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.482 18.632 12.652 1.00 0.00 H new ATOM 0 HG21 THR A 22 37.685 16.472 11.921 1.00 0.00 H new ATOM 0 HG22 THR A 22 35.986 16.395 11.396 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.189 17.242 10.395 1.00 0.00 H new ATOM 353 N ILE A 23 34.960 20.411 13.405 1.00 0.00 N ATOM 354 CA ILE A 23 34.766 21.658 14.135 1.00 0.00 C ATOM 355 C ILE A 23 36.112 22.336 14.360 1.00 0.00 C ATOM 356 O ILE A 23 36.219 23.559 14.297 1.00 0.00 O ATOM 357 CB ILE A 23 34.061 21.394 15.470 1.00 0.00 C ATOM 358 CG1 ILE A 23 32.876 20.441 15.252 1.00 0.00 C ATOM 359 CG2 ILE A 23 33.544 22.711 16.053 1.00 0.00 C ATOM 360 CD1 ILE A 23 32.049 20.886 14.041 1.00 0.00 C ATOM 0 H ILE A 23 34.842 19.563 13.959 1.00 0.00 H new ATOM 0 HA ILE A 23 34.133 22.321 13.545 1.00 0.00 H new ATOM 0 HB ILE A 23 34.772 20.942 16.162 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.241 19.426 15.098 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.248 20.422 16.142 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.044 22.517 17.002 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.381 23.390 16.216 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.839 23.165 15.357 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.213 20.201 13.900 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.668 21.893 14.211 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.677 20.881 13.150 1.00 0.00 H new ATOM 372 N GLU A 24 37.145 21.532 14.591 1.00 0.00 N ATOM 373 CA GLU A 24 38.484 22.074 14.790 1.00 0.00 C ATOM 374 C GLU A 24 38.842 22.988 13.626 1.00 0.00 C ATOM 375 O GLU A 24 39.606 23.941 13.777 1.00 0.00 O ATOM 376 CB GLU A 24 39.507 20.942 14.883 1.00 0.00 C ATOM 377 CG GLU A 24 39.023 19.891 15.882 1.00 0.00 C ATOM 378 CD GLU A 24 38.881 20.514 17.267 1.00 0.00 C ATOM 379 OE1 GLU A 24 37.820 21.044 17.550 1.00 0.00 O ATOM 380 OE2 GLU A 24 39.836 20.450 18.024 1.00 0.00 O ATOM 0 H GLU A 24 37.083 20.515 14.645 1.00 0.00 H new ATOM 0 HA GLU A 24 38.499 22.641 15.721 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.651 20.487 13.903 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.474 21.337 15.196 1.00 0.00 H new ATOM 0 HG2 GLU A 24 38.066 19.483 15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.728 19.060 15.918 1.00 0.00 H new ATOM 387 N ASN A 25 38.252 22.704 12.469 1.00 0.00 N ATOM 388 CA ASN A 25 38.489 23.523 11.285 1.00 0.00 C ATOM 389 C ASN A 25 37.737 24.839 11.425 1.00 0.00 C ATOM 390 O ASN A 25 38.341 25.911 11.442 1.00 0.00 O ATOM 391 CB ASN A 25 38.026 22.796 10.021 1.00 0.00 C ATOM 392 CG ASN A 25 38.441 23.592 8.787 1.00 0.00 C ATOM 393 OD1 ASN A 25 37.564 23.830 7.849 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 39.593 24.011 8.674 1.00 0.00 N flip ATOM 0 H ASN A 25 37.613 21.922 12.326 1.00 0.00 H new ATOM 0 HA ASN A 25 39.559 23.715 11.199 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.461 21.797 9.984 1.00 0.00 H new ATOM 0 HB3 ASN A 25 36.943 22.671 10.038 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.278 23.825 9.407 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.863 24.544 7.848 1.00 0.00 H new ATOM 401 N VAL A 26 36.414 24.748 11.532 1.00 0.00 N ATOM 402 CA VAL A 26 35.590 25.944 11.683 1.00 0.00 C ATOM 403 C VAL A 26 36.164 26.844 12.761 1.00 0.00 C ATOM 404 O VAL A 26 35.979 28.062 12.744 1.00 0.00 O ATOM 405 CB VAL A 26 34.165 25.544 12.052 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.306 26.796 12.233 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.595 24.692 10.933 1.00 0.00 C ATOM 0 H VAL A 26 35.895 23.870 11.517 1.00 0.00 H new ATOM 0 HA VAL A 26 35.581 26.487 10.738 1.00 0.00 H new ATOM 0 HB VAL A 26 34.168 24.981 12.985 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.289 26.505 12.496 1.00 0.00 H new ATOM 0 HG12 VAL A 26 33.724 27.412 13.029 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.291 27.365 11.303 1.00 0.00 H new ATOM 0 HG21 VAL A 26 32.576 24.398 11.183 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.591 25.265 10.006 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.209 23.800 10.806 1.00 0.00 H new ATOM 417 N LYS A 27 36.879 26.231 13.684 1.00 0.00 N ATOM 418 CA LYS A 27 37.503 26.974 14.769 1.00 0.00 C ATOM 419 C LYS A 27 38.712 27.722 14.243 1.00 0.00 C ATOM 420 O LYS A 27 38.846 28.930 14.433 1.00 0.00 O ATOM 421 CB LYS A 27 37.940 26.010 15.876 1.00 0.00 C ATOM 422 CG LYS A 27 36.711 25.501 16.649 1.00 0.00 C ATOM 423 CD LYS A 27 36.313 26.504 17.741 1.00 0.00 C ATOM 424 CE LYS A 27 35.279 25.865 18.667 1.00 0.00 C ATOM 425 NZ LYS A 27 35.962 24.909 19.585 1.00 0.00 N ATOM 0 H LYS A 27 37.044 25.225 13.707 1.00 0.00 H new ATOM 0 HA LYS A 27 36.784 27.685 15.175 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.481 25.169 15.443 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.625 26.513 16.558 1.00 0.00 H new ATOM 0 HG2 LYS A 27 35.878 25.352 15.962 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.931 24.533 17.098 1.00 0.00 H new ATOM 0 HD2 LYS A 27 37.192 26.804 18.312 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.903 27.407 17.289 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.765 26.635 19.242 1.00 0.00 H new ATOM 0 HE3 LYS A 27 34.521 25.345 18.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.434 24.013 19.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 36.929 24.733 19.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.000 25.314 20.542 1.00 0.00 H new ATOM 439 N ALA A 28 39.590 26.985 13.581 1.00 0.00 N ATOM 440 CA ALA A 28 40.798 27.565 13.023 1.00 0.00 C ATOM 441 C ALA A 28 40.458 28.773 12.150 1.00 0.00 C ATOM 442 O ALA A 28 41.212 29.744 12.106 1.00 0.00 O ATOM 443 CB ALA A 28 41.519 26.502 12.192 1.00 0.00 C ATOM 0 H ALA A 28 39.487 25.983 13.418 1.00 0.00 H new ATOM 0 HA ALA A 28 41.445 27.902 13.833 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.429 26.927 11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.777 25.656 12.829 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.866 26.165 11.387 1.00 0.00 H new ATOM 449 N LYS A 29 39.314 28.709 11.477 1.00 0.00 N ATOM 450 CA LYS A 29 38.887 29.818 10.633 1.00 0.00 C ATOM 451 C LYS A 29 38.545 31.032 11.500 1.00 0.00 C ATOM 452 O LYS A 29 39.181 32.081 11.394 1.00 0.00 O ATOM 453 CB LYS A 29 37.679 29.407 9.787 1.00 0.00 C ATOM 454 CG LYS A 29 38.161 28.620 8.556 1.00 0.00 C ATOM 455 CD LYS A 29 37.010 27.799 7.986 1.00 0.00 C ATOM 456 CE LYS A 29 37.545 26.841 6.919 1.00 0.00 C ATOM 457 NZ LYS A 29 38.100 27.624 5.778 1.00 0.00 N ATOM 0 H LYS A 29 38.675 27.914 11.498 1.00 0.00 H new ATOM 0 HA LYS A 29 39.702 30.086 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.998 28.796 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.124 30.291 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 29 38.540 29.307 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.986 27.964 8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.521 27.237 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.258 28.459 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 29 38.318 26.201 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.746 26.186 6.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.275 26.989 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 37.419 28.358 5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.993 28.072 6.066 1.00 0.00 H new ATOM 471 N ILE A 30 37.528 30.883 12.342 1.00 0.00 N ATOM 472 CA ILE A 30 37.092 31.961 13.210 1.00 0.00 C ATOM 473 C ILE A 30 38.271 32.543 13.998 1.00 0.00 C ATOM 474 O ILE A 30 38.369 33.758 14.169 1.00 0.00 O ATOM 475 CB ILE A 30 36.024 31.417 14.166 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.725 31.163 13.390 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.756 32.431 15.276 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.792 30.291 14.232 1.00 0.00 C ATOM 0 H ILE A 30 36.991 30.021 12.439 1.00 0.00 H new ATOM 0 HA ILE A 30 36.674 32.766 12.605 1.00 0.00 H new ATOM 0 HB ILE A 30 36.380 30.485 14.606 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.240 32.110 13.152 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.945 30.670 12.443 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.996 32.038 15.952 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.676 32.614 15.831 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.404 33.365 14.838 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.869 30.110 13.682 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.279 29.340 14.447 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.563 30.801 15.168 1.00 0.00 H new ATOM 490 N GLN A 31 39.158 31.676 14.474 1.00 0.00 N ATOM 491 CA GLN A 31 40.316 32.132 15.240 1.00 0.00 C ATOM 492 C GLN A 31 41.199 33.031 14.383 1.00 0.00 C ATOM 493 O GLN A 31 41.443 34.188 14.717 1.00 0.00 O ATOM 494 CB GLN A 31 41.134 30.930 15.724 1.00 0.00 C ATOM 495 CG GLN A 31 42.334 31.423 16.539 1.00 0.00 C ATOM 496 CD GLN A 31 43.017 30.247 17.231 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.009 29.130 16.713 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.610 30.432 18.380 1.00 0.00 N ATOM 0 H GLN A 31 39.101 30.666 14.346 1.00 0.00 H new ATOM 0 HA GLN A 31 39.958 32.697 16.100 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.512 30.275 16.333 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.476 30.343 14.872 1.00 0.00 H new ATOM 0 HG2 GLN A 31 43.043 31.932 15.886 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.005 32.151 17.281 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.616 31.358 18.808 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.067 29.651 18.850 1.00 0.00 H new ATOM 507 N ASP A 32 41.689 32.474 13.289 1.00 0.00 N ATOM 508 CA ASP A 32 42.565 33.216 12.391 1.00 0.00 C ATOM 509 C ASP A 32 41.987 34.589 12.030 1.00 0.00 C ATOM 510 O ASP A 32 42.734 35.555 11.876 1.00 0.00 O ATOM 511 CB ASP A 32 42.805 32.405 11.114 1.00 0.00 C ATOM 512 CG ASP A 32 43.892 33.067 10.273 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.717 33.760 10.845 1.00 0.00 O ATOM 514 OD2 ASP A 32 43.884 32.871 9.068 1.00 0.00 O ATOM 0 H ASP A 32 41.498 31.515 13.000 1.00 0.00 H new ATOM 0 HA ASP A 32 43.509 33.380 12.911 1.00 0.00 H new ATOM 0 HB2 ASP A 32 43.100 31.387 11.370 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.882 32.334 10.539 1.00 0.00 H new ATOM 519 N LYS A 33 40.666 34.671 11.865 1.00 0.00 N ATOM 520 CA LYS A 33 40.031 35.937 11.486 1.00 0.00 C ATOM 521 C LYS A 33 39.815 36.894 12.668 1.00 0.00 C ATOM 522 O LYS A 33 39.973 38.105 12.513 1.00 0.00 O ATOM 523 CB LYS A 33 38.682 35.672 10.827 1.00 0.00 C ATOM 524 CG LYS A 33 38.860 34.764 9.609 1.00 0.00 C ATOM 525 CD LYS A 33 37.482 34.354 9.084 1.00 0.00 C ATOM 526 CE LYS A 33 37.640 33.479 7.838 1.00 0.00 C ATOM 527 NZ LYS A 33 36.316 32.904 7.462 1.00 0.00 N ATOM 0 H LYS A 33 40.022 33.889 11.985 1.00 0.00 H new ATOM 0 HA LYS A 33 40.720 36.419 10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.005 35.205 11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.225 36.614 10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.419 35.284 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 33 39.437 33.880 9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.936 33.810 9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 33 36.895 35.241 8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 33 38.039 34.070 7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.354 32.679 8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 36.292 32.729 6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.170 32.008 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 35.562 33.573 7.717 1.00 0.00 H new ATOM 541 N GLU A 34 39.404 36.370 13.831 1.00 0.00 N ATOM 542 CA GLU A 34 39.119 37.230 14.998 1.00 0.00 C ATOM 543 C GLU A 34 40.120 37.044 16.140 1.00 0.00 C ATOM 544 O GLU A 34 39.968 37.654 17.198 1.00 0.00 O ATOM 545 CB GLU A 34 37.715 36.921 15.527 1.00 0.00 C ATOM 546 CG GLU A 34 36.696 37.028 14.390 1.00 0.00 C ATOM 547 CD GLU A 34 35.280 36.960 14.955 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.147 36.675 16.133 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.350 37.193 14.200 1.00 0.00 O ATOM 0 H GLU A 34 39.262 35.373 13.992 1.00 0.00 H new ATOM 0 HA GLU A 34 39.198 38.261 14.654 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.691 35.919 15.956 1.00 0.00 H new ATOM 0 HB3 GLU A 34 37.456 37.616 16.326 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.837 37.964 13.850 1.00 0.00 H new ATOM 0 HG3 GLU A 34 36.851 36.221 13.674 1.00 0.00 H new ATOM 556 N GLY A 35 41.162 36.255 15.928 1.00 0.00 N ATOM 557 CA GLY A 35 42.175 36.060 16.964 1.00 0.00 C ATOM 558 C GLY A 35 41.590 35.501 18.267 1.00 0.00 C ATOM 559 O GLY A 35 42.252 35.526 19.305 1.00 0.00 O ATOM 0 H GLY A 35 41.331 35.744 15.062 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.941 35.379 16.593 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.666 37.011 17.170 1.00 0.00 H new ATOM 563 N ILE A 36 40.359 34.996 18.215 1.00 0.00 N ATOM 564 CA ILE A 36 39.714 34.438 19.401 1.00 0.00 C ATOM 565 C ILE A 36 40.116 32.965 19.598 1.00 0.00 C ATOM 566 O ILE A 36 39.924 32.157 18.689 1.00 0.00 O ATOM 567 CB ILE A 36 38.204 34.530 19.234 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.835 35.994 19.011 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.525 34.003 20.497 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.337 36.120 18.780 1.00 0.00 C ATOM 0 H ILE A 36 39.791 34.962 17.369 1.00 0.00 H new ATOM 0 HA ILE A 36 40.033 35.005 20.276 1.00 0.00 H new ATOM 0 HB ILE A 36 37.875 33.934 18.383 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.130 36.588 19.876 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.379 36.389 18.153 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.443 34.067 20.382 1.00 0.00 H new ATOM 0 HG22 ILE A 36 37.812 32.964 20.658 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.835 34.602 21.354 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.080 37.167 18.622 1.00 0.00 H new ATOM 0 HD12 ILE A 36 36.054 35.540 17.901 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.802 35.743 19.651 1.00 0.00 H new ATOM 582 N PRO A 37 40.660 32.582 20.740 1.00 0.00 N ATOM 583 CA PRO A 37 41.064 31.166 20.979 1.00 0.00 C ATOM 584 C PRO A 37 39.851 30.258 21.285 1.00 0.00 C ATOM 585 O PRO A 37 38.952 30.654 22.036 1.00 0.00 O ATOM 586 CB PRO A 37 42.002 31.259 22.191 1.00 0.00 C ATOM 587 CG PRO A 37 41.514 32.445 22.953 1.00 0.00 C ATOM 588 CD PRO A 37 40.956 33.428 21.914 1.00 0.00 C ATOM 0 HA PRO A 37 41.535 30.719 20.103 1.00 0.00 H new ATOM 0 HB2 PRO A 37 41.959 30.354 22.796 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.039 31.386 21.881 1.00 0.00 H new ATOM 0 HG2 PRO A 37 40.744 32.157 23.668 1.00 0.00 H new ATOM 0 HG3 PRO A 37 42.324 32.901 23.523 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.060 33.929 22.280 1.00 0.00 H new ATOM 0 HD3 PRO A 37 41.680 34.206 21.672 1.00 0.00 H new ATOM 596 N PRO A 38 39.806 29.061 20.738 1.00 0.00 N ATOM 597 CA PRO A 38 38.685 28.108 20.988 1.00 0.00 C ATOM 598 C PRO A 38 38.263 28.058 22.458 1.00 0.00 C ATOM 599 O PRO A 38 37.205 27.520 22.786 1.00 0.00 O ATOM 600 CB PRO A 38 39.255 26.762 20.542 1.00 0.00 C ATOM 601 CG PRO A 38 40.218 27.106 19.458 1.00 0.00 C ATOM 602 CD PRO A 38 40.801 28.477 19.815 1.00 0.00 C ATOM 0 HA PRO A 38 37.781 28.401 20.454 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.751 26.248 21.366 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.470 26.099 20.180 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.006 26.356 19.386 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.718 27.137 18.490 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.778 28.384 20.289 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.935 29.097 18.928 1.00 0.00 H new ATOM 610 N ASP A 39 39.095 28.607 23.342 1.00 0.00 N ATOM 611 CA ASP A 39 38.789 28.598 24.769 1.00 0.00 C ATOM 612 C ASP A 39 37.776 29.680 25.127 1.00 0.00 C ATOM 613 O ASP A 39 36.892 29.463 25.956 1.00 0.00 O ATOM 614 CB ASP A 39 40.069 28.815 25.578 1.00 0.00 C ATOM 615 CG ASP A 39 40.976 27.595 25.460 1.00 0.00 C ATOM 616 OD1 ASP A 39 40.490 26.557 25.042 1.00 0.00 O ATOM 617 OD2 ASP A 39 42.145 27.716 25.791 1.00 0.00 O ATOM 0 H ASP A 39 39.976 29.059 23.098 1.00 0.00 H new ATOM 0 HA ASP A 39 38.357 27.627 25.011 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.590 29.702 25.218 1.00 0.00 H new ATOM 0 HB3 ASP A 39 39.821 28.994 26.624 1.00 0.00 H new ATOM 622 N GLN A 40 37.921 30.849 24.517 1.00 0.00 N ATOM 623 CA GLN A 40 37.025 31.963 24.797 1.00 0.00 C ATOM 624 C GLN A 40 35.733 31.854 24.000 1.00 0.00 C ATOM 625 O GLN A 40 34.702 32.372 24.428 1.00 0.00 O ATOM 626 CB GLN A 40 37.713 33.286 24.457 1.00 0.00 C ATOM 627 CG GLN A 40 38.791 33.576 25.497 1.00 0.00 C ATOM 628 CD GLN A 40 39.462 34.914 25.198 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.793 35.947 25.145 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.750 34.957 24.999 1.00 0.00 N ATOM 0 H GLN A 40 38.646 31.050 23.829 1.00 0.00 H new ATOM 0 HA GLN A 40 36.781 31.931 25.859 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.156 33.234 23.462 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.982 34.095 24.439 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.350 33.596 26.494 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.534 32.779 25.494 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.302 34.100 25.043 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.206 35.847 24.799 1.00 0.00 H new ATOM 639 N GLN A 41 35.775 31.190 22.840 1.00 0.00 N ATOM 640 CA GLN A 41 34.584 31.046 22.006 1.00 0.00 C ATOM 641 C GLN A 41 33.968 29.656 22.133 1.00 0.00 C ATOM 642 O GLN A 41 34.673 28.652 22.237 1.00 0.00 O ATOM 643 CB GLN A 41 34.954 31.296 20.545 1.00 0.00 C ATOM 644 CG GLN A 41 36.056 30.326 20.115 1.00 0.00 C ATOM 645 CD GLN A 41 36.435 30.579 18.660 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.569 30.596 17.786 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.686 30.776 18.347 1.00 0.00 N ATOM 0 H GLN A 41 36.614 30.749 22.463 1.00 0.00 H new ATOM 0 HA GLN A 41 33.849 31.776 22.346 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.077 31.168 19.911 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.292 32.324 20.417 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.930 30.450 20.754 1.00 0.00 H new ATOM 0 HG3 GLN A 41 35.715 29.298 20.237 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.402 30.761 19.073 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.948 30.945 17.376 1.00 0.00 H new ATOM 656 N ARG A 42 32.638 29.620 22.095 1.00 0.00 N ATOM 657 CA ARG A 42 31.880 28.373 22.172 1.00 0.00 C ATOM 658 C ARG A 42 30.832 28.388 21.067 1.00 0.00 C ATOM 659 O ARG A 42 30.148 29.393 20.877 1.00 0.00 O ATOM 660 CB ARG A 42 31.191 28.255 23.536 1.00 0.00 C ATOM 661 CG ARG A 42 32.193 28.573 24.675 1.00 0.00 C ATOM 662 CD ARG A 42 31.956 27.634 25.861 1.00 0.00 C ATOM 663 NE ARG A 42 30.532 27.555 26.170 1.00 0.00 N ATOM 664 CZ ARG A 42 30.046 26.581 26.933 1.00 0.00 C ATOM 665 NH1 ARG A 42 28.769 26.535 27.199 1.00 0.00 N ATOM 666 NH2 ARG A 42 30.845 25.668 27.414 1.00 0.00 N ATOM 0 H ARG A 42 32.056 30.453 22.010 1.00 0.00 H new ATOM 0 HA ARG A 42 32.550 27.522 22.051 1.00 0.00 H new ATOM 0 HB2 ARG A 42 30.345 28.941 23.584 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.792 27.249 23.664 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.215 28.463 24.312 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.078 29.609 24.993 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.340 26.641 25.629 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.504 27.992 26.732 1.00 0.00 H new ATOM 0 HE ARG A 42 29.898 28.260 25.794 1.00 0.00 H new ATOM 0 HH11 ARG A 42 28.143 27.247 26.821 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.397 25.787 27.785 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.843 25.702 27.205 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.472 24.921 27.999 1.00 0.00 H new ATOM 680 N LEU A 43 30.711 27.293 20.325 1.00 0.00 N ATOM 681 CA LEU A 43 29.739 27.236 19.232 1.00 0.00 C ATOM 682 C LEU A 43 28.417 26.645 19.695 1.00 0.00 C ATOM 683 O LEU A 43 28.340 25.474 20.082 1.00 0.00 O ATOM 684 CB LEU A 43 30.288 26.397 18.086 1.00 0.00 C ATOM 685 CG LEU A 43 31.712 26.827 17.715 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.054 26.250 16.347 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.816 28.351 17.657 1.00 0.00 C ATOM 0 H LEU A 43 31.262 26.444 20.454 1.00 0.00 H new ATOM 0 HA LEU A 43 29.563 28.257 18.893 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.286 25.344 18.369 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.638 26.495 17.217 1.00 0.00 H new ATOM 0 HG LEU A 43 32.405 26.459 18.471 1.00 0.00 H new ATOM 0 HD11 LEU A 43 33.065 26.548 16.069 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.993 25.162 16.385 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.348 26.627 15.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.834 28.636 17.392 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.125 28.735 16.907 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.563 28.770 18.631 1.00 0.00 H new ATOM 699 N ILE A 44 27.377 27.474 19.644 1.00 0.00 N ATOM 700 CA ILE A 44 26.032 27.059 20.059 1.00 0.00 C ATOM 701 C ILE A 44 25.075 26.981 18.867 1.00 0.00 C ATOM 702 O ILE A 44 24.896 27.959 18.129 1.00 0.00 O ATOM 703 CB ILE A 44 25.471 28.060 21.074 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.485 28.295 22.203 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.164 27.522 21.662 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.934 26.961 22.811 1.00 0.00 C ATOM 0 H ILE A 44 27.436 28.439 19.319 1.00 0.00 H new ATOM 0 HA ILE A 44 26.116 26.068 20.506 1.00 0.00 H new ATOM 0 HB ILE A 44 25.279 29.006 20.567 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.350 28.834 21.816 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.039 28.921 22.976 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.768 28.237 22.383 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.439 27.375 20.862 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.353 26.571 22.160 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.652 27.148 23.609 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.069 26.437 23.217 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.400 26.348 22.040 1.00 0.00 H new ATOM 718 N PHE A 45 24.450 25.811 18.697 1.00 0.00 N ATOM 719 CA PHE A 45 23.492 25.590 17.615 1.00 0.00 C ATOM 720 C PHE A 45 22.294 24.808 18.143 1.00 0.00 C ATOM 721 O PHE A 45 22.410 23.630 18.480 1.00 0.00 O ATOM 722 CB PHE A 45 24.152 24.793 16.492 1.00 0.00 C ATOM 723 CG PHE A 45 23.209 24.679 15.319 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.267 25.609 14.275 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.286 23.632 15.275 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.397 25.490 13.183 1.00 0.00 C ATOM 727 CE2 PHE A 45 21.413 23.512 14.186 1.00 0.00 C ATOM 728 CZ PHE A 45 21.470 24.440 13.139 1.00 0.00 C ATOM 0 H PHE A 45 24.593 25.001 19.300 1.00 0.00 H new ATOM 0 HA PHE A 45 23.162 26.556 17.232 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.075 25.282 16.181 1.00 0.00 H new ATOM 0 HB3 PHE A 45 24.423 23.800 16.850 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.982 26.418 14.311 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.245 22.914 16.081 1.00 0.00 H new ATOM 0 HE1 PHE A 45 22.441 26.207 12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.697 22.704 14.154 1.00 0.00 H new ATOM 0 HZ PHE A 45 20.800 24.347 12.298 1.00 0.00 H new ATOM 738 N ALA A 46 21.145 25.470 18.219 1.00 0.00 N ATOM 739 CA ALA A 46 19.934 24.824 18.712 1.00 0.00 C ATOM 740 C ALA A 46 20.114 24.351 20.154 1.00 0.00 C ATOM 741 O ALA A 46 19.648 23.275 20.525 1.00 0.00 O ATOM 742 CB ALA A 46 19.584 23.631 17.821 1.00 0.00 C ATOM 0 H ALA A 46 21.026 26.446 17.948 1.00 0.00 H new ATOM 0 HA ALA A 46 19.124 25.552 18.686 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.679 23.152 18.194 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.419 23.975 16.800 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.405 22.914 17.833 1.00 0.00 H new ATOM 748 N GLY A 47 20.777 25.171 20.965 1.00 0.00 N ATOM 749 CA GLY A 47 20.997 24.835 22.371 1.00 0.00 C ATOM 750 C GLY A 47 21.920 23.625 22.537 1.00 0.00 C ATOM 751 O GLY A 47 21.945 23.003 23.599 1.00 0.00 O ATOM 0 H GLY A 47 21.169 26.067 20.677 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.430 25.693 22.885 1.00 0.00 H new ATOM 0 HA3 GLY A 47 20.039 24.628 22.848 1.00 0.00 H new ATOM 755 N LYS A 48 22.685 23.298 21.492 1.00 0.00 N ATOM 756 CA LYS A 48 23.617 22.161 21.546 1.00 0.00 C ATOM 757 C LYS A 48 25.037 22.613 21.228 1.00 0.00 C ATOM 758 O LYS A 48 25.280 23.209 20.179 1.00 0.00 O ATOM 759 CB LYS A 48 23.208 21.099 20.534 1.00 0.00 C ATOM 760 CG LYS A 48 21.766 20.658 20.790 1.00 0.00 C ATOM 761 CD LYS A 48 21.255 19.845 19.593 1.00 0.00 C ATOM 762 CE LYS A 48 21.989 18.503 19.527 1.00 0.00 C ATOM 763 NZ LYS A 48 21.268 17.592 18.596 1.00 0.00 N ATOM 0 H LYS A 48 22.680 23.798 20.603 1.00 0.00 H new ATOM 0 HA LYS A 48 23.584 21.749 22.554 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.302 21.494 19.522 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.877 20.241 20.605 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.715 20.058 21.698 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.131 21.530 20.948 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.182 19.679 19.686 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.412 20.402 18.669 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.014 18.652 19.187 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.045 18.057 20.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 21.765 16.679 18.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.298 17.441 18.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.237 18.018 17.648 1.00 0.00 H new ATOM 777 N GLN A 49 25.979 22.312 22.119 1.00 0.00 N ATOM 778 CA GLN A 49 27.367 22.679 21.889 1.00 0.00 C ATOM 779 C GLN A 49 28.010 21.702 20.916 1.00 0.00 C ATOM 780 O GLN A 49 27.890 20.487 21.074 1.00 0.00 O ATOM 781 CB GLN A 49 28.145 22.686 23.202 1.00 0.00 C ATOM 782 CG GLN A 49 29.491 23.379 22.987 1.00 0.00 C ATOM 783 CD GLN A 49 30.348 23.251 24.240 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.232 24.137 25.192 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 31.142 22.319 24.358 1.00 0.00 N flip ATOM 0 H GLN A 49 25.806 21.821 22.996 1.00 0.00 H new ATOM 0 HA GLN A 49 27.392 23.682 21.462 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.575 23.204 23.973 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.300 21.665 23.552 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.007 22.934 22.136 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.334 24.431 22.750 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.231 21.628 23.613 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.711 22.237 25.201 1.00 0.00 H new ATOM 794 N LEU A 50 28.676 22.233 19.904 1.00 0.00 N ATOM 795 CA LEU A 50 29.309 21.381 18.906 1.00 0.00 C ATOM 796 C LEU A 50 30.516 20.655 19.499 1.00 0.00 C ATOM 797 O LEU A 50 31.303 21.236 20.246 1.00 0.00 O ATOM 798 CB LEU A 50 29.732 22.221 17.701 1.00 0.00 C ATOM 799 CG LEU A 50 28.508 22.535 16.831 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.413 23.191 17.677 1.00 0.00 C ATOM 801 CD2 LEU A 50 28.911 23.488 15.706 1.00 0.00 C ATOM 0 H LEU A 50 28.793 23.235 19.751 1.00 0.00 H new ATOM 0 HA LEU A 50 28.589 20.630 18.582 1.00 0.00 H new ATOM 0 HB2 LEU A 50 30.198 23.147 18.037 1.00 0.00 H new ATOM 0 HB3 LEU A 50 30.478 21.684 17.115 1.00 0.00 H new ATOM 0 HG LEU A 50 28.127 21.604 16.410 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.549 23.409 17.049 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.117 22.513 18.478 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.792 24.118 18.107 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.041 23.710 15.088 1.00 0.00 H new ATOM 0 HD22 LEU A 50 29.298 24.413 16.134 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.682 23.021 15.092 1.00 0.00 H new ATOM 813 N GLU A 51 30.640 19.371 19.160 1.00 0.00 N ATOM 814 CA GLU A 51 31.730 18.543 19.649 1.00 0.00 C ATOM 815 C GLU A 51 33.056 18.923 18.990 1.00 0.00 C ATOM 816 O GLU A 51 33.129 19.099 17.775 1.00 0.00 O ATOM 817 CB GLU A 51 31.410 17.073 19.376 1.00 0.00 C ATOM 818 CG GLU A 51 32.212 16.189 20.324 1.00 0.00 C ATOM 819 CD GLU A 51 32.120 14.732 19.884 1.00 0.00 C ATOM 820 OE1 GLU A 51 32.927 14.329 19.064 1.00 0.00 O ATOM 821 OE2 GLU A 51 31.239 14.042 20.371 1.00 0.00 O ATOM 0 H GLU A 51 29.990 18.884 18.543 1.00 0.00 H new ATOM 0 HA GLU A 51 31.834 18.705 20.722 1.00 0.00 H new ATOM 0 HB2 GLU A 51 30.343 16.892 19.509 1.00 0.00 H new ATOM 0 HB3 GLU A 51 31.649 16.825 18.342 1.00 0.00 H new ATOM 0 HG2 GLU A 51 33.254 16.508 20.337 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.833 16.295 21.341 1.00 0.00 H new ATOM 828 N ASP A 52 34.094 19.059 19.808 1.00 0.00 N ATOM 829 CA ASP A 52 35.411 19.434 19.322 1.00 0.00 C ATOM 830 C ASP A 52 36.002 18.417 18.338 1.00 0.00 C ATOM 831 O ASP A 52 37.197 18.477 18.047 1.00 0.00 O ATOM 832 CB ASP A 52 36.367 19.583 20.508 1.00 0.00 C ATOM 833 CG ASP A 52 35.850 20.649 21.469 1.00 0.00 C ATOM 834 OD1 ASP A 52 34.820 20.418 22.080 1.00 0.00 O ATOM 835 OD2 ASP A 52 36.494 21.679 21.580 1.00 0.00 O ATOM 0 H ASP A 52 34.045 18.913 20.816 1.00 0.00 H new ATOM 0 HA ASP A 52 35.293 20.376 18.787 1.00 0.00 H new ATOM 0 HB2 ASP A 52 36.464 18.630 21.028 1.00 0.00 H new ATOM 0 HB3 ASP A 52 37.361 19.855 20.152 1.00 0.00 H new ATOM 840 N GLY A 53 35.198 17.478 17.826 1.00 0.00 N ATOM 841 CA GLY A 53 35.744 16.482 16.892 1.00 0.00 C ATOM 842 C GLY A 53 34.703 15.907 15.928 1.00 0.00 C ATOM 843 O GLY A 53 34.924 14.841 15.352 1.00 0.00 O ATOM 0 H GLY A 53 34.203 17.385 18.031 1.00 0.00 H new ATOM 0 HA2 GLY A 53 36.547 16.940 16.315 1.00 0.00 H new ATOM 0 HA3 GLY A 53 36.187 15.666 17.463 1.00 0.00 H new ATOM 847 N ARG A 54 33.580 16.603 15.730 1.00 0.00 N ATOM 848 CA ARG A 54 32.540 16.115 14.803 1.00 0.00 C ATOM 849 C ARG A 54 32.549 16.910 13.497 1.00 0.00 C ATOM 850 O ARG A 54 33.254 17.912 13.365 1.00 0.00 O ATOM 851 CB ARG A 54 31.148 16.211 15.461 1.00 0.00 C ATOM 852 CG ARG A 54 30.870 14.949 16.300 1.00 0.00 C ATOM 853 CD ARG A 54 29.445 14.994 16.876 1.00 0.00 C ATOM 854 NE ARG A 54 29.401 14.294 18.156 1.00 0.00 N ATOM 855 CZ ARG A 54 29.497 12.968 18.223 1.00 0.00 C ATOM 856 NH1 ARG A 54 29.466 12.370 19.383 1.00 0.00 N ATOM 857 NH2 ARG A 54 29.620 12.266 17.130 1.00 0.00 N ATOM 0 H ARG A 54 33.364 17.489 16.186 1.00 0.00 H new ATOM 0 HA ARG A 54 32.759 15.072 14.574 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.097 17.097 16.094 1.00 0.00 H new ATOM 0 HB3 ARG A 54 30.382 16.323 14.694 1.00 0.00 H new ATOM 0 HG2 ARG A 54 30.992 14.059 15.682 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.595 14.876 17.111 1.00 0.00 H new ATOM 0 HD2 ARG A 54 29.130 16.029 17.007 1.00 0.00 H new ATOM 0 HD3 ARG A 54 28.747 14.534 16.177 1.00 0.00 H new ATOM 0 HE ARG A 54 29.295 14.832 19.016 1.00 0.00 H new ATOM 0 HH11 ARG A 54 29.368 12.919 20.237 1.00 0.00 H new ATOM 0 HH12 ARG A 54 29.539 11.354 19.435 1.00 0.00 H new ATOM 0 HH21 ARG A 54 29.643 12.733 16.224 1.00 0.00 H new ATOM 0 HH22 ARG A 54 29.694 11.250 17.182 1.00 0.00 H new ATOM 871 N THR A 55 31.749 16.438 12.537 1.00 0.00 N ATOM 872 CA THR A 55 31.634 17.084 11.225 1.00 0.00 C ATOM 873 C THR A 55 30.296 17.805 11.110 1.00 0.00 C ATOM 874 O THR A 55 29.289 17.381 11.694 1.00 0.00 O ATOM 875 CB THR A 55 31.754 16.037 10.112 1.00 0.00 C ATOM 876 OG1 THR A 55 30.831 14.984 10.354 1.00 0.00 O ATOM 877 CG2 THR A 55 33.179 15.475 10.087 1.00 0.00 C ATOM 0 H THR A 55 31.168 15.606 12.644 1.00 0.00 H new ATOM 0 HA THR A 55 32.440 17.811 11.121 1.00 0.00 H new ATOM 0 HB THR A 55 31.533 16.501 9.151 1.00 0.00 H new ATOM 0 HG1 THR A 55 30.905 14.314 9.642 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.263 14.731 9.295 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.886 16.284 9.901 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.404 15.010 11.047 1.00 0.00 H new ATOM 885 N LEU A 56 30.268 18.880 10.329 1.00 0.00 N ATOM 886 CA LEU A 56 29.032 19.608 10.144 1.00 0.00 C ATOM 887 C LEU A 56 27.973 18.665 9.589 1.00 0.00 C ATOM 888 O LEU A 56 26.808 18.759 9.960 1.00 0.00 O ATOM 889 CB LEU A 56 29.247 20.795 9.204 1.00 0.00 C ATOM 890 CG LEU A 56 29.946 21.939 9.955 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.366 21.514 10.356 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.017 23.159 9.039 1.00 0.00 C ATOM 0 H LEU A 56 31.072 19.255 9.826 1.00 0.00 H new ATOM 0 HA LEU A 56 28.694 19.999 11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 56 29.850 20.488 8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.289 21.138 8.812 1.00 0.00 H new ATOM 0 HG LEU A 56 29.383 22.181 10.857 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.854 22.331 10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 56 31.315 20.639 11.004 1.00 0.00 H new ATOM 0 HD13 LEU A 56 31.939 21.270 9.461 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.511 23.978 9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 56 30.582 22.908 8.141 1.00 0.00 H new ATOM 0 HD23 LEU A 56 29.008 23.463 8.760 1.00 0.00 H new ATOM 904 N SER A 57 28.373 17.764 8.684 1.00 0.00 N ATOM 905 CA SER A 57 27.432 16.824 8.078 1.00 0.00 C ATOM 906 C SER A 57 26.519 16.203 9.128 1.00 0.00 C ATOM 907 O SER A 57 25.311 16.050 8.903 1.00 0.00 O ATOM 908 CB SER A 57 28.202 15.718 7.354 1.00 0.00 C ATOM 909 OG SER A 57 29.048 16.301 6.373 1.00 0.00 O ATOM 0 H SER A 57 29.335 17.669 8.359 1.00 0.00 H new ATOM 0 HA SER A 57 26.814 17.373 7.367 1.00 0.00 H new ATOM 0 HB2 SER A 57 28.794 15.144 8.067 1.00 0.00 H new ATOM 0 HB3 SER A 57 27.507 15.022 6.884 1.00 0.00 H new ATOM 0 HG SER A 57 29.082 17.271 6.505 1.00 0.00 H new ATOM 915 N ASP A 58 27.084 15.875 10.287 1.00 0.00 N ATOM 916 CA ASP A 58 26.287 15.303 11.359 1.00 0.00 C ATOM 917 C ASP A 58 25.238 16.320 11.772 1.00 0.00 C ATOM 918 O ASP A 58 24.089 15.983 12.071 1.00 0.00 O ATOM 919 CB ASP A 58 27.179 14.956 12.558 1.00 0.00 C ATOM 920 CG ASP A 58 26.356 14.270 13.645 1.00 0.00 C ATOM 921 OD1 ASP A 58 25.700 14.972 14.396 1.00 0.00 O ATOM 922 OD2 ASP A 58 26.396 13.051 13.710 1.00 0.00 O ATOM 0 H ASP A 58 28.074 15.994 10.503 1.00 0.00 H new ATOM 0 HA ASP A 58 25.807 14.387 11.014 1.00 0.00 H new ATOM 0 HB2 ASP A 58 27.991 14.303 12.239 1.00 0.00 H new ATOM 0 HB3 ASP A 58 27.636 15.862 12.955 1.00 0.00 H new ATOM 927 N TYR A 59 25.656 17.581 11.761 1.00 0.00 N ATOM 928 CA TYR A 59 24.773 18.684 12.119 1.00 0.00 C ATOM 929 C TYR A 59 23.951 19.162 10.914 1.00 0.00 C ATOM 930 O TYR A 59 23.083 20.023 11.055 1.00 0.00 O ATOM 931 CB TYR A 59 25.613 19.843 12.654 1.00 0.00 C ATOM 932 CG TYR A 59 26.159 19.491 14.023 1.00 0.00 C ATOM 933 CD1 TYR A 59 27.510 19.152 14.173 1.00 0.00 C ATOM 934 CD2 TYR A 59 25.314 19.505 15.141 1.00 0.00 C ATOM 935 CE1 TYR A 59 28.015 18.828 15.439 1.00 0.00 C ATOM 936 CE2 TYR A 59 25.821 19.180 16.407 1.00 0.00 C ATOM 937 CZ TYR A 59 27.171 18.842 16.555 1.00 0.00 C ATOM 938 OH TYR A 59 27.670 18.522 17.802 1.00 0.00 O ATOM 0 H TYR A 59 26.602 17.865 11.508 1.00 0.00 H new ATOM 0 HA TYR A 59 24.078 18.333 12.882 1.00 0.00 H new ATOM 0 HB2 TYR A 59 26.433 20.056 11.969 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.006 20.746 12.716 1.00 0.00 H new ATOM 0 HD1 TYR A 59 28.162 19.140 13.312 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.272 19.766 15.027 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.057 18.567 15.554 1.00 0.00 H new ATOM 0 HE2 TYR A 59 25.170 19.190 17.268 1.00 0.00 H new ATOM 0 HH TYR A 59 27.168 19.007 18.490 1.00 0.00 H new ATOM 948 N ASN A 60 24.223 18.608 9.728 1.00 0.00 N ATOM 949 CA ASN A 60 23.488 19.008 8.523 1.00 0.00 C ATOM 950 C ASN A 60 22.144 18.296 8.456 1.00 0.00 C ATOM 951 O ASN A 60 21.140 18.892 8.076 1.00 0.00 O ATOM 952 CB ASN A 60 24.296 18.690 7.264 1.00 0.00 C ATOM 953 CG ASN A 60 23.488 19.059 6.022 1.00 0.00 C ATOM 954 OD1 ASN A 60 22.410 19.784 6.146 1.00 0.00 O flip ATOM 955 ND2 ASN A 60 23.848 18.673 4.909 1.00 0.00 N flip ATOM 0 H ASN A 60 24.935 17.893 9.577 1.00 0.00 H new ATOM 0 HA ASN A 60 23.322 20.084 8.575 1.00 0.00 H new ATOM 0 HB2 ASN A 60 25.236 19.243 7.275 1.00 0.00 H new ATOM 0 HB3 ASN A 60 24.550 17.630 7.242 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.691 18.106 4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.303 18.920 4.083 1.00 0.00 H new ATOM 962 N ILE A 61 22.129 17.024 8.838 1.00 0.00 N ATOM 963 CA ILE A 61 20.880 16.266 8.824 1.00 0.00 C ATOM 964 C ILE A 61 19.880 16.934 9.763 1.00 0.00 C ATOM 965 O ILE A 61 18.737 17.201 9.394 1.00 0.00 O ATOM 966 CB ILE A 61 21.137 14.820 9.263 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.951 14.104 8.182 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.804 14.094 9.464 1.00 0.00 C ATOM 969 CD1 ILE A 61 22.445 12.759 8.717 1.00 0.00 C ATOM 0 H ILE A 61 22.947 16.504 9.155 1.00 0.00 H new ATOM 0 HA ILE A 61 20.473 16.251 7.813 1.00 0.00 H new ATOM 0 HB ILE A 61 21.690 14.818 10.203 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.339 13.950 7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.798 14.721 7.882 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.993 13.067 9.776 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.223 14.606 10.232 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.246 14.092 8.528 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.024 12.251 7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.073 12.924 9.593 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.591 12.142 8.994 1.00 0.00 H new ATOM 981 N GLN A 62 20.339 17.197 10.980 1.00 0.00 N ATOM 982 CA GLN A 62 19.506 17.838 11.987 1.00 0.00 C ATOM 983 C GLN A 62 19.259 19.298 11.604 1.00 0.00 C ATOM 984 O GLN A 62 19.417 20.197 12.430 1.00 0.00 O ATOM 985 CB GLN A 62 20.208 17.779 13.349 1.00 0.00 C ATOM 986 CG GLN A 62 20.515 16.323 13.710 1.00 0.00 C ATOM 987 CD GLN A 62 21.339 16.269 14.993 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.179 17.138 15.230 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.151 15.294 15.840 1.00 0.00 N ATOM 0 H GLN A 62 21.284 16.976 11.293 1.00 0.00 H new ATOM 0 HA GLN A 62 18.551 17.315 12.046 1.00 0.00 H new ATOM 0 HB2 GLN A 62 21.131 18.358 13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.575 18.228 14.115 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.586 15.768 13.840 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.061 15.845 12.897 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.455 14.575 15.643 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.700 15.251 16.699 1.00 0.00 H new ATOM 998 N LYS A 63 18.868 19.536 10.344 1.00 0.00 N ATOM 999 CA LYS A 63 18.603 20.898 9.871 1.00 0.00 C ATOM 1000 C LYS A 63 17.311 21.458 10.469 1.00 0.00 C ATOM 1001 O LYS A 63 16.359 21.750 9.744 1.00 0.00 O ATOM 1002 CB LYS A 63 18.514 20.917 8.335 1.00 0.00 C ATOM 1003 CG LYS A 63 18.531 22.366 7.829 1.00 0.00 C ATOM 1004 CD LYS A 63 18.202 22.403 6.331 1.00 0.00 C ATOM 1005 CE LYS A 63 19.298 21.682 5.540 1.00 0.00 C ATOM 1006 NZ LYS A 63 19.245 22.106 4.113 1.00 0.00 N ATOM 0 H LYS A 63 18.730 18.809 9.642 1.00 0.00 H new ATOM 0 HA LYS A 63 19.430 21.529 10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 63 19.349 20.363 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.601 20.419 8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.806 22.962 8.384 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.511 22.810 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.238 21.928 6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.117 23.436 5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 63 20.276 21.912 5.962 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.164 20.603 5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.990 21.616 3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.315 21.865 3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.393 23.134 4.050 1.00 0.00 H new ATOM 1020 N GLU A 64 17.289 21.622 11.787 1.00 0.00 N ATOM 1021 CA GLU A 64 16.113 22.171 12.460 1.00 0.00 C ATOM 1022 C GLU A 64 15.791 23.554 11.898 1.00 0.00 C ATOM 1023 O GLU A 64 14.642 23.859 11.581 1.00 0.00 O ATOM 1024 CB GLU A 64 16.379 22.286 13.965 1.00 0.00 C ATOM 1025 CG GLU A 64 16.567 20.893 14.567 1.00 0.00 C ATOM 1026 CD GLU A 64 16.772 21.000 16.076 1.00 0.00 C ATOM 1027 OE1 GLU A 64 16.682 22.102 16.590 1.00 0.00 O ATOM 1028 OE2 GLU A 64 17.017 19.977 16.696 1.00 0.00 O ATOM 0 H GLU A 64 18.063 21.386 12.408 1.00 0.00 H new ATOM 0 HA GLU A 64 15.268 21.504 12.291 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.268 22.891 14.141 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.547 22.793 14.453 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.695 20.275 14.353 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.426 20.403 14.109 1.00 0.00 H new ATOM 1049 N THR A 66 18.204 27.187 9.996 1.00 0.00 N ATOM 1050 CA THR A 66 19.208 27.494 8.980 1.00 0.00 C ATOM 1051 C THR A 66 20.595 27.327 9.585 1.00 0.00 C ATOM 1052 O THR A 66 20.724 27.011 10.771 1.00 0.00 O ATOM 1053 CB THR A 66 19.013 28.938 8.475 1.00 0.00 C ATOM 1054 OG1 THR A 66 18.288 29.677 9.449 1.00 0.00 O ATOM 1055 CG2 THR A 66 18.231 28.923 7.162 1.00 0.00 C ATOM 0 HA THR A 66 19.100 26.814 8.135 1.00 0.00 H new ATOM 0 HB THR A 66 19.986 29.401 8.308 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.915 30.172 10.017 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.095 29.945 6.808 1.00 0.00 H new ATOM 0 HG22 THR A 66 18.783 28.351 6.416 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.256 28.462 7.324 1.00 0.00 H new ATOM 1063 N LEU A 67 21.649 27.520 8.783 1.00 0.00 N ATOM 1064 CA LEU A 67 23.008 27.357 9.274 1.00 0.00 C ATOM 1065 C LEU A 67 23.455 28.590 10.051 1.00 0.00 C ATOM 1066 O LEU A 67 24.600 29.041 9.932 1.00 0.00 O ATOM 1067 CB LEU A 67 23.946 27.128 8.075 1.00 0.00 C ATOM 1068 CG LEU A 67 23.261 26.225 7.032 1.00 0.00 C ATOM 1069 CD1 LEU A 67 24.222 25.948 5.871 1.00 0.00 C ATOM 1070 CD2 LEU A 67 22.860 24.898 7.681 1.00 0.00 C ATOM 0 H LEU A 67 21.581 27.787 7.801 1.00 0.00 H new ATOM 0 HA LEU A 67 23.044 26.500 9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.210 28.084 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.874 26.667 8.412 1.00 0.00 H new ATOM 0 HG LEU A 67 22.372 26.731 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.731 25.309 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.505 26.890 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.114 25.448 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.376 24.262 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.749 24.397 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.169 25.089 8.502 1.00 0.00 H new ATOM 1082 N HIS A 68 22.544 29.110 10.858 1.00 0.00 N ATOM 1083 CA HIS A 68 22.840 30.271 11.681 1.00 0.00 C ATOM 1084 C HIS A 68 23.578 29.810 12.923 1.00 0.00 C ATOM 1085 O HIS A 68 23.066 29.002 13.699 1.00 0.00 O ATOM 1086 CB HIS A 68 21.542 30.971 12.087 1.00 0.00 C ATOM 1087 CG HIS A 68 20.989 31.725 10.912 1.00 0.00 C ATOM 1088 ND1 HIS A 68 20.122 31.142 10.004 1.00 0.00 N ATOM 1089 CD2 HIS A 68 21.176 33.013 10.479 1.00 0.00 C ATOM 1090 CE1 HIS A 68 19.821 32.069 9.078 1.00 0.00 C ATOM 1091 NE2 HIS A 68 20.437 33.229 9.321 1.00 0.00 N ATOM 0 H HIS A 68 21.596 28.748 10.960 1.00 0.00 H new ATOM 0 HA HIS A 68 23.455 30.973 11.117 1.00 0.00 H new ATOM 0 HB2 HIS A 68 20.815 30.238 12.436 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.729 31.654 12.915 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.802 33.748 10.964 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.162 31.897 8.240 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.378 34.088 8.775 1.00 0.00 H new ATOM 1100 N LEU A 69 24.793 30.316 13.099 1.00 0.00 N ATOM 1101 CA LEU A 69 25.622 29.945 14.236 1.00 0.00 C ATOM 1102 C LEU A 69 25.718 31.098 15.226 1.00 0.00 C ATOM 1103 O LEU A 69 25.988 32.235 14.838 1.00 0.00 O ATOM 1104 CB LEU A 69 27.024 29.565 13.715 1.00 0.00 C ATOM 1105 CG LEU A 69 27.662 28.477 14.596 1.00 0.00 C ATOM 1106 CD1 LEU A 69 27.673 28.932 16.064 1.00 0.00 C ATOM 1107 CD2 LEU A 69 26.873 27.154 14.460 1.00 0.00 C ATOM 0 H LEU A 69 25.226 30.987 12.465 1.00 0.00 H new ATOM 0 HA LEU A 69 25.177 29.096 14.755 1.00 0.00 H new ATOM 0 HB2 LEU A 69 26.950 29.209 12.687 1.00 0.00 H new ATOM 0 HB3 LEU A 69 27.663 30.448 13.701 1.00 0.00 H new ATOM 0 HG LEU A 69 28.688 28.312 14.267 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.126 28.157 16.682 1.00 0.00 H new ATOM 0 HD12 LEU A 69 28.250 29.852 16.155 1.00 0.00 H new ATOM 0 HD13 LEU A 69 26.651 29.110 16.397 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.332 26.390 15.087 1.00 0.00 H new ATOM 0 HD22 LEU A 69 25.842 27.311 14.776 1.00 0.00 H new ATOM 0 HD23 LEU A 69 26.888 26.827 13.420 1.00 0.00 H new ATOM 1119 N VAL A 70 25.526 30.793 16.508 1.00 0.00 N ATOM 1120 CA VAL A 70 25.626 31.810 17.550 1.00 0.00 C ATOM 1121 C VAL A 70 26.939 31.644 18.300 1.00 0.00 C ATOM 1122 O VAL A 70 27.217 30.584 18.865 1.00 0.00 O ATOM 1123 CB VAL A 70 24.446 31.685 18.513 1.00 0.00 C ATOM 1124 CG1 VAL A 70 24.665 32.591 19.726 1.00 0.00 C ATOM 1125 CG2 VAL A 70 23.170 32.110 17.788 1.00 0.00 C ATOM 0 H VAL A 70 25.302 29.857 16.847 1.00 0.00 H new ATOM 0 HA VAL A 70 25.601 32.800 17.094 1.00 0.00 H new ATOM 0 HB VAL A 70 24.359 30.652 18.851 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.820 32.497 20.408 1.00 0.00 H new ATOM 0 HG12 VAL A 70 25.580 32.297 20.239 1.00 0.00 H new ATOM 0 HG13 VAL A 70 24.751 33.626 19.396 1.00 0.00 H new ATOM 0 HG21 VAL A 70 22.321 32.025 18.466 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.267 33.144 17.456 1.00 0.00 H new ATOM 0 HG23 VAL A 70 23.011 31.465 16.924 1.00 0.00 H new ATOM 1135 N LEU A 71 27.744 32.699 18.301 1.00 0.00 N ATOM 1136 CA LEU A 71 29.035 32.666 18.984 1.00 0.00 C ATOM 1137 C LEU A 71 28.903 33.161 20.419 1.00 0.00 C ATOM 1138 O LEU A 71 28.512 34.302 20.664 1.00 0.00 O ATOM 1139 CB LEU A 71 30.057 33.530 18.227 1.00 0.00 C ATOM 1140 CG LEU A 71 31.494 33.073 18.569 1.00 0.00 C ATOM 1141 CD1 LEU A 71 31.922 31.934 17.633 1.00 0.00 C ATOM 1142 CD2 LEU A 71 32.461 34.249 18.405 1.00 0.00 C ATOM 0 H LEU A 71 27.530 33.583 17.840 1.00 0.00 H new ATOM 0 HA LEU A 71 29.382 31.633 19.005 1.00 0.00 H new ATOM 0 HB2 LEU A 71 29.888 33.451 17.153 1.00 0.00 H new ATOM 0 HB3 LEU A 71 29.927 34.579 18.494 1.00 0.00 H new ATOM 0 HG LEU A 71 31.515 32.720 19.600 1.00 0.00 H new ATOM 0 HD11 LEU A 71 32.935 31.620 17.882 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.241 31.091 17.751 1.00 0.00 H new ATOM 0 HD13 LEU A 71 31.894 32.282 16.600 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.473 33.924 18.647 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.430 34.605 17.375 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.169 35.056 19.076 1.00 0.00 H new ATOM 1154 N ARG A 72 29.254 32.291 21.361 1.00 0.00 N ATOM 1155 CA ARG A 72 29.197 32.626 22.785 1.00 0.00 C ATOM 1156 C ARG A 72 30.604 32.954 23.286 1.00 0.00 C ATOM 1157 O ARG A 72 31.575 32.321 22.874 1.00 0.00 O ATOM 1158 CB ARG A 72 28.618 31.422 23.570 1.00 0.00 C ATOM 1159 CG ARG A 72 27.452 31.856 24.470 1.00 0.00 C ATOM 1160 CD ARG A 72 27.977 32.709 25.628 1.00 0.00 C ATOM 1161 NE ARG A 72 26.955 32.835 26.659 1.00 0.00 N ATOM 1162 CZ ARG A 72 27.170 33.554 27.755 1.00 0.00 C ATOM 1163 NH1 ARG A 72 26.238 33.654 28.663 1.00 0.00 N ATOM 1164 NH2 ARG A 72 28.314 34.159 27.924 1.00 0.00 N ATOM 0 H ARG A 72 29.582 31.345 21.166 1.00 0.00 H new ATOM 0 HA ARG A 72 28.555 33.494 22.937 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.277 30.659 22.871 1.00 0.00 H new ATOM 0 HB3 ARG A 72 29.402 30.970 24.178 1.00 0.00 H new ATOM 0 HG2 ARG A 72 26.725 32.424 23.889 1.00 0.00 H new ATOM 0 HG3 ARG A 72 26.935 30.979 24.858 1.00 0.00 H new ATOM 0 HD2 ARG A 72 28.874 32.254 26.048 1.00 0.00 H new ATOM 0 HD3 ARG A 72 28.261 33.696 25.263 1.00 0.00 H new ATOM 0 HE ARG A 72 26.059 32.363 26.537 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.344 33.180 28.531 1.00 0.00 H new ATOM 0 HH12 ARG A 72 26.403 34.206 29.505 1.00 0.00 H new ATOM 0 HH21 ARG A 72 29.043 34.080 27.215 1.00 0.00 H new ATOM 0 HH22 ARG A 72 28.479 34.711 28.765 1.00 0.00 H new