USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.214 (180deg=-2.34!) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.0871 (180deg=-0.59) USER MOD Single : A 7 THR OG1 : rot 85:sc= 0.0391 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= -0.108 (180deg=-0.481) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 8:sc= 0.963! USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00202 USER MOD Single : A 25 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.3!) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= -0.704 (180deg=-0.864) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.46) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.075 (180deg=-0.701) USER MOD Single : A 40 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 48 LYS NZ :NH3+ 148:sc= -0.362 (180deg=-1.51!) USER MOD Single : A 49 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.55) USER MOD Single : A 63 LYS NZ :NH3+ 167:sc=-0.00319 (180deg=-0.267) USER MOD Single : A 68 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.380 24.066 3.689 1.00 0.00 N ATOM 2 CA MET A 1 24.734 25.358 3.324 1.00 0.00 C ATOM 3 C MET A 1 25.648 26.517 3.732 1.00 0.00 C ATOM 4 O MET A 1 26.729 26.315 4.249 1.00 0.00 O ATOM 5 CB MET A 1 23.395 25.484 4.055 1.00 0.00 C ATOM 6 CG MET A 1 22.506 24.289 3.704 1.00 0.00 C ATOM 7 SD MET A 1 21.998 24.404 1.970 1.00 0.00 S ATOM 8 CE MET A 1 20.885 22.978 1.963 1.00 0.00 C ATOM 0 H1 MET A 1 25.248 23.382 2.917 1.00 0.00 H new ATOM 0 H2 MET A 1 26.397 24.218 3.846 1.00 0.00 H new ATOM 0 H3 MET A 1 24.947 23.695 4.559 1.00 0.00 H new ATOM 0 HA MET A 1 24.565 25.389 2.248 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.559 25.525 5.132 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.901 26.414 3.773 1.00 0.00 H new ATOM 0 HG2 MET A 1 23.046 23.358 3.875 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.629 24.272 4.351 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.451 22.860 0.970 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.444 22.079 2.224 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.089 23.134 2.691 1.00 0.00 H new ATOM 20 N GLN A 2 25.221 27.732 3.498 1.00 0.00 N ATOM 21 CA GLN A 2 26.057 28.917 3.865 1.00 0.00 C ATOM 22 C GLN A 2 25.530 29.537 5.161 1.00 0.00 C ATOM 23 O GLN A 2 24.341 29.573 5.406 1.00 0.00 O ATOM 24 CB GLN A 2 25.978 29.958 2.746 1.00 0.00 C ATOM 25 CG GLN A 2 26.501 29.352 1.442 1.00 0.00 C ATOM 26 CD GLN A 2 26.396 30.389 0.322 1.00 0.00 C ATOM 27 OE1 GLN A 2 27.129 31.357 0.302 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.505 30.226 -0.619 1.00 0.00 N ATOM 0 H GLN A 2 24.324 27.956 3.066 1.00 0.00 H new ATOM 0 HA GLN A 2 27.090 28.600 4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 2 24.948 30.290 2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.565 30.837 3.011 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.537 29.036 1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 2 25.925 28.463 1.185 1.00 0.00 H new ATOM 0 HE21 GLN A 2 24.889 29.413 -0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.425 30.912 -1.370 1.00 0.00 H new ATOM 37 N ILE A 3 26.411 30.040 5.987 1.00 0.00 N ATOM 38 CA ILE A 3 25.977 30.681 7.266 1.00 0.00 C ATOM 39 C ILE A 3 26.901 31.868 7.541 1.00 0.00 C ATOM 40 O ILE A 3 27.934 32.006 6.915 1.00 0.00 O ATOM 41 CB ILE A 3 26.076 29.672 8.413 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.472 29.047 8.428 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.029 28.574 8.220 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.590 28.093 9.620 1.00 0.00 C ATOM 0 H ILE A 3 27.419 30.034 5.830 1.00 0.00 H new ATOM 0 HA ILE A 3 24.943 31.017 7.187 1.00 0.00 H new ATOM 0 HB ILE A 3 25.897 30.183 9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.651 28.508 7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.231 29.827 8.496 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.100 27.856 9.037 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.033 29.018 8.212 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.206 28.065 7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.584 27.647 9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.429 28.646 10.546 1.00 0.00 H new ATOM 0 HD13 ILE A 3 26.841 27.306 9.532 1.00 0.00 H new ATOM 56 N PHE A 4 26.544 32.732 8.463 1.00 0.00 N ATOM 57 CA PHE A 4 27.411 33.918 8.764 1.00 0.00 C ATOM 58 C PHE A 4 27.658 34.007 10.267 1.00 0.00 C ATOM 59 O PHE A 4 26.759 33.857 11.064 1.00 0.00 O ATOM 60 CB PHE A 4 26.711 35.191 8.288 1.00 0.00 C ATOM 61 CG PHE A 4 26.444 35.098 6.803 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.344 34.370 6.336 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.296 35.741 5.895 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.094 34.285 4.961 1.00 0.00 C ATOM 65 CE2 PHE A 4 27.045 35.655 4.520 1.00 0.00 C ATOM 66 CZ PHE A 4 25.944 34.927 4.053 1.00 0.00 C ATOM 0 H PHE A 4 25.691 32.668 9.019 1.00 0.00 H new ATOM 0 HA PHE A 4 28.365 33.809 8.248 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.774 35.327 8.828 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.331 36.061 8.502 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.688 33.874 7.036 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.145 36.302 6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.245 33.724 4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.701 36.150 3.820 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.751 34.861 2.993 1.00 0.00 H new ATOM 76 N VAL A 5 28.878 34.259 10.658 1.00 0.00 N ATOM 77 CA VAL A 5 29.198 34.372 12.112 1.00 0.00 C ATOM 78 C VAL A 5 29.300 35.851 12.479 1.00 0.00 C ATOM 79 O VAL A 5 30.130 36.578 11.959 1.00 0.00 O ATOM 80 CB VAL A 5 30.525 33.676 12.407 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.756 33.638 13.918 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.482 32.247 11.861 1.00 0.00 C ATOM 0 H VAL A 5 29.671 34.392 10.031 1.00 0.00 H new ATOM 0 HA VAL A 5 28.413 33.896 12.700 1.00 0.00 H new ATOM 0 HB VAL A 5 31.337 34.224 11.930 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.703 33.141 14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.785 34.656 14.307 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.944 33.090 14.396 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.428 31.749 12.071 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.670 31.699 12.339 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.317 32.274 10.784 1.00 0.00 H new ATOM 92 N LYS A 6 28.462 36.293 13.380 1.00 0.00 N ATOM 93 CA LYS A 6 28.490 37.719 13.813 1.00 0.00 C ATOM 94 C LYS A 6 29.332 37.842 15.086 1.00 0.00 C ATOM 95 O LYS A 6 29.043 37.223 16.095 1.00 0.00 O ATOM 96 CB LYS A 6 27.062 38.191 14.095 1.00 0.00 C ATOM 97 CG LYS A 6 27.079 39.675 14.459 1.00 0.00 C ATOM 98 CD LYS A 6 25.644 40.195 14.551 1.00 0.00 C ATOM 99 CE LYS A 6 25.661 41.700 14.823 1.00 0.00 C ATOM 100 NZ LYS A 6 26.257 42.408 13.654 1.00 0.00 N ATOM 0 H LYS A 6 27.753 35.720 13.838 1.00 0.00 H new ATOM 0 HA LYS A 6 28.926 38.335 13.027 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.434 38.027 13.219 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.630 37.610 14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.591 39.821 15.410 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.634 40.238 13.708 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.111 39.989 13.623 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.109 39.677 15.347 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.648 42.060 15.002 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.238 41.912 15.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.959 43.404 13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.294 42.357 13.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.934 41.958 12.774 1.00 0.00 H new ATOM 114 N THR A 7 30.376 38.629 15.046 1.00 0.00 N ATOM 115 CA THR A 7 31.248 38.794 16.249 1.00 0.00 C ATOM 116 C THR A 7 30.842 40.064 17.000 1.00 0.00 C ATOM 117 O THR A 7 30.438 41.046 16.408 1.00 0.00 O ATOM 118 CB THR A 7 32.709 38.906 15.807 1.00 0.00 C ATOM 119 OG1 THR A 7 33.008 37.852 14.902 1.00 0.00 O ATOM 120 CG2 THR A 7 33.624 38.803 17.029 1.00 0.00 C ATOM 0 H THR A 7 30.664 39.167 14.229 1.00 0.00 H new ATOM 0 HA THR A 7 31.133 37.931 16.905 1.00 0.00 H new ATOM 0 HB THR A 7 32.868 39.866 15.317 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.748 38.116 13.995 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.664 38.883 16.713 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.394 39.609 17.725 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.467 37.843 17.521 1.00 0.00 H new ATOM 128 N LEU A 8 30.939 40.049 18.300 1.00 0.00 N ATOM 129 CA LEU A 8 30.553 41.248 19.098 1.00 0.00 C ATOM 130 C LEU A 8 31.438 42.438 18.720 1.00 0.00 C ATOM 131 O LEU A 8 31.148 43.568 19.060 1.00 0.00 O ATOM 132 CB LEU A 8 30.722 40.933 20.592 1.00 0.00 C ATOM 133 CG LEU A 8 32.201 40.559 20.903 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.938 41.755 21.524 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.252 39.389 21.895 1.00 0.00 C ATOM 0 H LEU A 8 31.270 39.255 18.847 1.00 0.00 H new ATOM 0 HA LEU A 8 29.514 41.502 18.889 1.00 0.00 H new ATOM 0 HB2 LEU A 8 30.425 41.796 21.188 1.00 0.00 H new ATOM 0 HB3 LEU A 8 30.065 40.110 20.873 1.00 0.00 H new ATOM 0 HG LEU A 8 32.682 40.277 19.966 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.970 41.476 21.735 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.924 42.593 20.827 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.444 42.046 22.451 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.291 39.136 22.106 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.753 39.675 22.821 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.748 38.524 21.464 1.00 0.00 H new ATOM 147 N THR A 9 32.517 42.200 18.024 1.00 0.00 N ATOM 148 CA THR A 9 33.415 43.328 17.638 1.00 0.00 C ATOM 149 C THR A 9 32.855 44.027 16.398 1.00 0.00 C ATOM 150 O THR A 9 33.313 45.083 16.010 1.00 0.00 O ATOM 151 CB THR A 9 34.815 42.789 17.334 1.00 0.00 C ATOM 152 OG1 THR A 9 35.292 42.059 18.456 1.00 0.00 O ATOM 153 CG2 THR A 9 35.762 43.956 17.043 1.00 0.00 C ATOM 0 H THR A 9 32.815 41.278 17.707 1.00 0.00 H new ATOM 0 HA THR A 9 33.473 44.041 18.460 1.00 0.00 H new ATOM 0 HB THR A 9 34.772 42.134 16.464 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.188 41.711 18.263 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.758 43.571 16.827 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.395 44.517 16.183 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.808 44.613 17.912 1.00 0.00 H new ATOM 161 N GLY A 10 31.860 43.446 15.775 1.00 0.00 N ATOM 162 CA GLY A 10 31.254 44.074 14.561 1.00 0.00 C ATOM 163 C GLY A 10 31.798 43.405 13.298 1.00 0.00 C ATOM 164 O GLY A 10 31.468 43.790 12.194 1.00 0.00 O ATOM 0 H GLY A 10 31.440 42.560 16.056 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.169 43.977 14.595 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.479 45.140 14.543 1.00 0.00 H new ATOM 168 N LYS A 11 32.627 42.402 13.441 1.00 0.00 N ATOM 169 CA LYS A 11 33.182 41.712 12.238 1.00 0.00 C ATOM 170 C LYS A 11 32.274 40.539 11.865 1.00 0.00 C ATOM 171 O LYS A 11 31.836 39.789 12.717 1.00 0.00 O ATOM 172 CB LYS A 11 34.581 41.177 12.554 1.00 0.00 C ATOM 173 CG LYS A 11 35.444 42.292 13.157 1.00 0.00 C ATOM 174 CD LYS A 11 35.595 43.438 12.148 1.00 0.00 C ATOM 175 CE LYS A 11 36.807 44.297 12.521 1.00 0.00 C ATOM 176 NZ LYS A 11 36.636 44.825 13.904 1.00 0.00 N ATOM 0 H LYS A 11 32.943 42.032 14.337 1.00 0.00 H new ATOM 0 HA LYS A 11 33.237 42.418 11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.511 40.342 13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 11 35.047 40.796 11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 11 34.987 42.662 14.075 1.00 0.00 H new ATOM 0 HG3 LYS A 11 36.425 41.900 13.425 1.00 0.00 H new ATOM 0 HD2 LYS A 11 35.717 43.036 11.142 1.00 0.00 H new ATOM 0 HD3 LYS A 11 34.693 44.049 12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 11 37.720 43.704 12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 11 36.912 45.122 11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 37.265 45.641 14.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 35.649 45.121 14.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 36.875 44.082 14.591 1.00 0.00 H new ATOM 190 N THR A 12 31.992 40.372 10.596 1.00 0.00 N ATOM 191 CA THR A 12 31.113 39.246 10.142 1.00 0.00 C ATOM 192 C THR A 12 31.863 38.410 9.104 1.00 0.00 C ATOM 193 O THR A 12 32.477 38.938 8.197 1.00 0.00 O ATOM 194 CB THR A 12 29.839 39.815 9.511 1.00 0.00 C ATOM 195 OG1 THR A 12 29.206 40.689 10.436 1.00 0.00 O ATOM 196 CG2 THR A 12 28.890 38.670 9.156 1.00 0.00 C ATOM 0 H THR A 12 32.336 40.973 9.847 1.00 0.00 H new ATOM 0 HA THR A 12 30.848 38.622 10.995 1.00 0.00 H new ATOM 0 HB THR A 12 30.094 40.366 8.606 1.00 0.00 H new ATOM 0 HG1 THR A 12 28.391 41.056 10.034 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.983 39.075 8.707 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.377 38.000 8.448 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.632 38.118 10.060 1.00 0.00 H new ATOM 204 N ILE A 13 31.816 37.107 9.234 1.00 0.00 N ATOM 205 CA ILE A 13 32.523 36.214 8.253 1.00 0.00 C ATOM 206 C ILE A 13 31.566 35.126 7.763 1.00 0.00 C ATOM 207 O ILE A 13 30.724 34.648 8.495 1.00 0.00 O ATOM 208 CB ILE A 13 33.738 35.569 8.926 1.00 0.00 C ATOM 209 CG1 ILE A 13 33.299 34.865 10.207 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.766 36.649 9.268 1.00 0.00 C ATOM 211 CD1 ILE A 13 34.506 34.191 10.860 1.00 0.00 C ATOM 0 H ILE A 13 31.318 36.618 9.978 1.00 0.00 H new ATOM 0 HA ILE A 13 32.857 36.808 7.402 1.00 0.00 H new ATOM 0 HB ILE A 13 34.184 34.843 8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 13 32.854 35.584 10.895 1.00 0.00 H new ATOM 0 HG13 ILE A 13 32.533 34.123 9.982 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.631 36.190 9.747 1.00 0.00 H new ATOM 0 HG22 ILE A 13 35.082 37.153 8.355 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.319 37.375 9.947 1.00 0.00 H new ATOM 0 HD11 ILE A 13 34.191 33.689 11.775 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.931 33.460 10.172 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.258 34.943 11.099 1.00 0.00 H new ATOM 223 N THR A 14 31.690 34.735 6.516 1.00 0.00 N ATOM 224 CA THR A 14 30.790 33.679 5.954 1.00 0.00 C ATOM 225 C THR A 14 31.529 32.341 5.905 1.00 0.00 C ATOM 226 O THR A 14 32.682 32.269 5.528 1.00 0.00 O ATOM 227 CB THR A 14 30.355 34.074 4.537 1.00 0.00 C ATOM 228 OG1 THR A 14 29.788 32.945 3.889 1.00 0.00 O ATOM 229 CG2 THR A 14 31.561 34.570 3.738 1.00 0.00 C ATOM 0 H THR A 14 32.379 35.104 5.861 1.00 0.00 H new ATOM 0 HA THR A 14 29.911 33.582 6.591 1.00 0.00 H new ATOM 0 HB THR A 14 29.616 34.873 4.597 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.507 33.194 2.984 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.242 34.848 2.733 1.00 0.00 H new ATOM 0 HG22 THR A 14 31.994 35.438 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.307 33.778 3.676 1.00 0.00 H new ATOM 237 N LEU A 15 30.867 31.279 6.293 1.00 0.00 N ATOM 238 CA LEU A 15 31.510 29.926 6.285 1.00 0.00 C ATOM 239 C LEU A 15 30.633 28.947 5.501 1.00 0.00 C ATOM 240 O LEU A 15 29.420 29.016 5.535 1.00 0.00 O ATOM 241 CB LEU A 15 31.645 29.415 7.723 1.00 0.00 C ATOM 242 CG LEU A 15 32.460 30.402 8.570 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.295 30.046 10.049 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.950 30.322 8.197 1.00 0.00 C ATOM 0 H LEU A 15 29.900 31.291 6.618 1.00 0.00 H new ATOM 0 HA LEU A 15 32.493 30.001 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.656 29.280 8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.130 28.439 7.724 1.00 0.00 H new ATOM 0 HG LEU A 15 32.100 31.414 8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.871 30.743 10.657 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.242 30.110 10.323 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.654 29.031 10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.516 31.027 8.806 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.317 29.311 8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.075 30.570 7.143 1.00 0.00 H new ATOM 256 N GLU A 16 31.248 28.013 4.824 1.00 0.00 N ATOM 257 CA GLU A 16 30.479 26.986 4.056 1.00 0.00 C ATOM 258 C GLU A 16 30.566 25.672 4.831 1.00 0.00 C ATOM 259 O GLU A 16 31.645 25.211 5.146 1.00 0.00 O ATOM 260 CB GLU A 16 31.104 26.808 2.669 1.00 0.00 C ATOM 261 CG GLU A 16 31.133 28.156 1.945 1.00 0.00 C ATOM 262 CD GLU A 16 31.803 27.987 0.579 1.00 0.00 C ATOM 263 OE1 GLU A 16 32.954 27.583 0.552 1.00 0.00 O ATOM 264 OE2 GLU A 16 31.153 28.264 -0.415 1.00 0.00 O ATOM 0 H GLU A 16 32.262 27.916 4.769 1.00 0.00 H new ATOM 0 HA GLU A 16 29.440 27.293 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.115 26.412 2.762 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.530 26.085 2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.119 28.536 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.677 28.889 2.541 1.00 0.00 H new ATOM 271 N VAL A 17 29.453 25.065 5.156 1.00 0.00 N ATOM 272 CA VAL A 17 29.508 23.786 5.931 1.00 0.00 C ATOM 273 C VAL A 17 28.367 22.857 5.507 1.00 0.00 C ATOM 274 O VAL A 17 27.500 23.221 4.738 1.00 0.00 O ATOM 275 CB VAL A 17 29.399 24.093 7.442 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.148 25.392 7.758 1.00 0.00 C ATOM 277 CG2 VAL A 17 27.926 24.244 7.863 1.00 0.00 C ATOM 0 H VAL A 17 28.517 25.395 4.922 1.00 0.00 H new ATOM 0 HA VAL A 17 30.457 23.289 5.728 1.00 0.00 H new ATOM 0 HB VAL A 17 29.840 23.264 7.995 1.00 0.00 H new ATOM 0 HG11 VAL A 17 30.070 25.607 8.824 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.198 25.282 7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.710 26.212 7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.873 24.460 8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.470 25.061 7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.391 23.318 7.653 1.00 0.00 H new ATOM 287 N GLU A 18 28.367 21.662 6.031 1.00 0.00 N ATOM 288 CA GLU A 18 27.295 20.675 5.710 1.00 0.00 C ATOM 289 C GLU A 18 26.407 20.516 6.950 1.00 0.00 C ATOM 290 O GLU A 18 26.851 20.725 8.060 1.00 0.00 O ATOM 291 CB GLU A 18 27.951 19.329 5.370 1.00 0.00 C ATOM 292 CG GLU A 18 28.453 19.351 3.924 1.00 0.00 C ATOM 293 CD GLU A 18 29.440 20.504 3.742 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.239 20.721 4.638 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.381 21.152 2.709 1.00 0.00 O ATOM 0 H GLU A 18 29.077 21.321 6.679 1.00 0.00 H new ATOM 0 HA GLU A 18 26.697 21.012 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.780 19.135 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.233 18.520 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.935 18.404 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 18 27.613 19.466 3.238 1.00 0.00 H new ATOM 302 N PRO A 19 25.168 20.142 6.784 1.00 0.00 N ATOM 303 CA PRO A 19 24.239 19.952 7.938 1.00 0.00 C ATOM 304 C PRO A 19 24.693 18.777 8.807 1.00 0.00 C ATOM 305 O PRO A 19 24.555 18.786 10.015 1.00 0.00 O ATOM 306 CB PRO A 19 22.892 19.653 7.267 1.00 0.00 C ATOM 307 CG PRO A 19 23.268 19.074 5.946 1.00 0.00 C ATOM 308 CD PRO A 19 24.502 19.850 5.504 1.00 0.00 C ATOM 0 HA PRO A 19 24.197 20.816 8.602 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.300 18.953 7.856 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.294 20.557 7.151 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.483 18.009 6.030 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.457 19.180 5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.136 19.261 4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.238 20.761 4.966 1.00 0.00 H new ATOM 316 N SER A 20 25.235 17.763 8.190 1.00 0.00 N ATOM 317 CA SER A 20 25.704 16.580 8.957 1.00 0.00 C ATOM 318 C SER A 20 27.115 16.842 9.484 1.00 0.00 C ATOM 319 O SER A 20 27.733 15.977 10.073 1.00 0.00 O ATOM 320 CB SER A 20 25.725 15.359 8.036 1.00 0.00 C ATOM 321 OG SER A 20 26.546 14.351 8.611 1.00 0.00 O ATOM 0 H SER A 20 25.373 17.705 7.181 1.00 0.00 H new ATOM 0 HA SER A 20 25.031 16.397 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.713 14.981 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.105 15.637 7.053 1.00 0.00 H new ATOM 0 HG SER A 20 26.806 14.618 9.517 1.00 0.00 H new ATOM 327 N ASP A 21 27.636 18.027 9.288 1.00 0.00 N ATOM 328 CA ASP A 21 29.012 18.308 9.797 1.00 0.00 C ATOM 329 C ASP A 21 28.979 18.283 11.330 1.00 0.00 C ATOM 330 O ASP A 21 27.985 18.617 11.945 1.00 0.00 O ATOM 331 CB ASP A 21 29.498 19.684 9.289 1.00 0.00 C ATOM 332 CG ASP A 21 31.021 19.659 9.089 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.474 18.898 8.251 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.702 20.398 9.778 1.00 0.00 O ATOM 0 H ASP A 21 27.177 18.800 8.806 1.00 0.00 H new ATOM 0 HA ASP A 21 29.706 17.550 9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.003 19.930 8.350 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.229 20.461 10.004 1.00 0.00 H new ATOM 339 N THR A 22 30.057 17.888 11.954 1.00 0.00 N ATOM 340 CA THR A 22 30.084 17.841 13.446 1.00 0.00 C ATOM 341 C THR A 22 30.520 19.204 13.986 1.00 0.00 C ATOM 342 O THR A 22 31.237 19.936 13.335 1.00 0.00 O ATOM 343 CB THR A 22 31.078 16.768 13.900 1.00 0.00 C ATOM 344 OG1 THR A 22 32.370 17.078 13.397 1.00 0.00 O ATOM 345 CG2 THR A 22 30.637 15.402 13.370 1.00 0.00 C ATOM 0 H THR A 22 30.920 17.596 11.495 1.00 0.00 H new ATOM 0 HA THR A 22 29.091 17.600 13.825 1.00 0.00 H new ATOM 0 HB THR A 22 31.108 16.739 14.989 1.00 0.00 H new ATOM 0 HG1 THR A 22 33.007 16.393 13.688 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.346 14.640 13.694 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.646 15.164 13.757 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.605 15.427 12.281 1.00 0.00 H new ATOM 353 N ILE A 23 30.101 19.554 15.172 1.00 0.00 N ATOM 354 CA ILE A 23 30.508 20.874 15.732 1.00 0.00 C ATOM 355 C ILE A 23 32.044 20.940 15.733 1.00 0.00 C ATOM 356 O ILE A 23 32.631 21.961 15.439 1.00 0.00 O ATOM 357 CB ILE A 23 29.973 21.028 17.170 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.460 21.321 17.161 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.691 22.188 17.872 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.677 20.068 16.781 1.00 0.00 C ATOM 0 H ILE A 23 29.500 18.989 15.772 1.00 0.00 H new ATOM 0 HA ILE A 23 30.096 21.681 15.126 1.00 0.00 H new ATOM 0 HB ILE A 23 30.157 20.094 17.701 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.145 21.670 18.144 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.243 22.122 16.454 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.308 22.292 18.887 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.762 21.986 17.906 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.514 23.112 17.322 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.610 20.292 16.779 1.00 0.00 H new ATOM 0 HD12 ILE A 23 27.980 19.737 15.788 1.00 0.00 H new ATOM 0 HD13 ILE A 23 27.881 19.278 17.504 1.00 0.00 H new ATOM 372 N GLU A 24 32.695 19.856 16.064 1.00 0.00 N ATOM 373 CA GLU A 24 34.188 19.856 16.091 1.00 0.00 C ATOM 374 C GLU A 24 34.740 20.093 14.681 1.00 0.00 C ATOM 375 O GLU A 24 35.685 20.832 14.493 1.00 0.00 O ATOM 376 CB GLU A 24 34.687 18.501 16.600 1.00 0.00 C ATOM 377 CG GLU A 24 34.257 18.309 18.054 1.00 0.00 C ATOM 378 CD GLU A 24 34.662 16.911 18.524 1.00 0.00 C ATOM 379 OE1 GLU A 24 34.434 15.970 17.781 1.00 0.00 O ATOM 380 OE2 GLU A 24 35.196 16.805 19.615 1.00 0.00 O ATOM 0 H GLU A 24 32.257 18.970 16.317 1.00 0.00 H new ATOM 0 HA GLU A 24 34.530 20.653 16.752 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.284 17.698 15.982 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.773 18.449 16.522 1.00 0.00 H new ATOM 0 HG2 GLU A 24 34.723 19.066 18.685 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.178 18.437 18.146 1.00 0.00 H new ATOM 387 N ASN A 25 34.160 19.472 13.691 1.00 0.00 N ATOM 388 CA ASN A 25 34.656 19.660 12.294 1.00 0.00 C ATOM 389 C ASN A 25 34.438 21.110 11.854 1.00 0.00 C ATOM 390 O ASN A 25 35.261 21.700 11.173 1.00 0.00 O ATOM 391 CB ASN A 25 33.889 18.726 11.351 1.00 0.00 C ATOM 392 CG ASN A 25 34.489 18.806 9.947 1.00 0.00 C ATOM 393 OD1 ASN A 25 34.784 19.879 9.461 1.00 0.00 O ATOM 394 ND2 ASN A 25 34.678 17.707 9.269 1.00 0.00 N ATOM 0 H ASN A 25 33.364 18.842 13.787 1.00 0.00 H new ATOM 0 HA ASN A 25 35.721 19.428 12.259 1.00 0.00 H new ATOM 0 HB2 ASN A 25 33.937 17.701 11.720 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.836 19.006 11.323 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.074 17.749 8.330 1.00 0.00 H new ATOM 0 HD22 ASN A 25 34.430 16.806 9.678 1.00 0.00 H new ATOM 401 N VAL A 26 33.336 21.688 12.242 1.00 0.00 N ATOM 402 CA VAL A 26 33.057 23.096 11.851 1.00 0.00 C ATOM 403 C VAL A 26 33.969 24.035 12.644 1.00 0.00 C ATOM 404 O VAL A 26 34.335 25.096 12.176 1.00 0.00 O ATOM 405 CB VAL A 26 31.591 23.427 12.135 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.307 24.871 11.734 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.689 22.503 11.316 1.00 0.00 C ATOM 0 H VAL A 26 32.616 21.245 12.813 1.00 0.00 H new ATOM 0 HA VAL A 26 33.250 23.224 10.786 1.00 0.00 H new ATOM 0 HB VAL A 26 31.394 23.291 13.198 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.262 25.106 11.937 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.948 25.541 12.308 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.508 25.000 10.670 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.645 22.740 11.519 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.893 22.643 10.254 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.886 21.466 11.590 1.00 0.00 H new ATOM 417 N LYS A 27 34.355 23.650 13.832 1.00 0.00 N ATOM 418 CA LYS A 27 35.258 24.521 14.635 1.00 0.00 C ATOM 419 C LYS A 27 36.622 24.515 13.961 1.00 0.00 C ATOM 420 O LYS A 27 37.331 25.501 13.935 1.00 0.00 O ATOM 421 CB LYS A 27 35.382 23.969 16.061 1.00 0.00 C ATOM 422 CG LYS A 27 34.154 24.369 16.883 1.00 0.00 C ATOM 423 CD LYS A 27 34.255 23.751 18.280 1.00 0.00 C ATOM 424 CE LYS A 27 33.170 24.344 19.182 1.00 0.00 C ATOM 425 NZ LYS A 27 33.423 25.801 19.369 1.00 0.00 N ATOM 0 H LYS A 27 34.085 22.774 14.278 1.00 0.00 H new ATOM 0 HA LYS A 27 34.861 25.535 14.691 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.474 22.883 16.033 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.287 24.354 16.532 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.090 25.455 16.957 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.244 24.029 16.388 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.141 22.669 18.219 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.240 23.944 18.704 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.187 24.189 18.737 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.167 23.837 20.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.771 26.177 20.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.404 25.946 19.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.271 26.298 18.468 1.00 0.00 H new ATOM 439 N ALA A 28 36.977 23.401 13.393 1.00 0.00 N ATOM 440 CA ALA A 28 38.275 23.303 12.688 1.00 0.00 C ATOM 441 C ALA A 28 38.277 24.327 11.552 1.00 0.00 C ATOM 442 O ALA A 28 39.162 25.154 11.444 1.00 0.00 O ATOM 443 CB ALA A 28 38.409 21.888 12.127 1.00 0.00 C ATOM 0 H ALA A 28 36.417 22.548 13.388 1.00 0.00 H new ATOM 0 HA ALA A 28 39.110 23.505 13.359 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.360 21.793 11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.372 21.168 12.944 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.591 21.693 11.434 1.00 0.00 H new ATOM 449 N LYS A 29 37.284 24.269 10.707 1.00 0.00 N ATOM 450 CA LYS A 29 37.208 25.231 9.573 1.00 0.00 C ATOM 451 C LYS A 29 37.405 26.656 10.102 1.00 0.00 C ATOM 452 O LYS A 29 38.136 27.448 9.536 1.00 0.00 O ATOM 453 CB LYS A 29 35.827 25.125 8.914 1.00 0.00 C ATOM 454 CG LYS A 29 35.571 23.685 8.425 1.00 0.00 C ATOM 455 CD LYS A 29 36.171 23.476 7.021 1.00 0.00 C ATOM 456 CE LYS A 29 35.172 23.928 5.945 1.00 0.00 C ATOM 457 NZ LYS A 29 35.839 23.914 4.612 1.00 0.00 N ATOM 0 H LYS A 29 36.520 23.595 10.754 1.00 0.00 H new ATOM 0 HA LYS A 29 37.984 25.000 8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.055 25.416 9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.764 25.817 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.011 22.974 9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.499 23.488 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.099 24.040 6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.421 22.425 6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.305 23.267 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.807 24.930 6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.164 24.220 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.653 24.562 4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.167 22.951 4.398 1.00 0.00 H new ATOM 471 N ILE A 30 36.763 26.987 11.187 1.00 0.00 N ATOM 472 CA ILE A 30 36.912 28.358 11.754 1.00 0.00 C ATOM 473 C ILE A 30 38.353 28.563 12.227 1.00 0.00 C ATOM 474 O ILE A 30 38.915 29.630 12.083 1.00 0.00 O ATOM 475 CB ILE A 30 35.953 28.533 12.935 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.514 28.533 12.415 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.239 29.868 13.639 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.544 28.408 13.591 1.00 0.00 C ATOM 0 H ILE A 30 36.141 26.368 11.707 1.00 0.00 H new ATOM 0 HA ILE A 30 36.676 29.094 10.986 1.00 0.00 H new ATOM 0 HB ILE A 30 36.092 27.715 13.642 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.316 29.452 11.863 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.368 27.706 11.720 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.555 29.990 14.479 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.266 29.874 14.003 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.099 30.688 12.935 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.519 28.408 13.219 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.736 27.477 14.124 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.684 29.250 14.269 1.00 0.00 H new ATOM 490 N GLN A 31 38.948 27.551 12.792 1.00 0.00 N ATOM 491 CA GLN A 31 40.350 27.679 13.281 1.00 0.00 C ATOM 492 C GLN A 31 41.289 27.955 12.105 1.00 0.00 C ATOM 493 O GLN A 31 42.129 28.828 12.162 1.00 0.00 O ATOM 494 CB GLN A 31 40.761 26.369 13.961 1.00 0.00 C ATOM 495 CG GLN A 31 42.179 26.496 14.526 1.00 0.00 C ATOM 496 CD GLN A 31 42.559 25.200 15.245 1.00 0.00 C ATOM 497 OE1 GLN A 31 42.699 25.179 16.452 1.00 0.00 O ATOM 498 NE2 GLN A 31 42.733 24.109 14.549 1.00 0.00 N ATOM 0 H GLN A 31 38.522 26.636 12.937 1.00 0.00 H new ATOM 0 HA GLN A 31 40.414 28.505 13.990 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.061 26.130 14.762 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.718 25.548 13.245 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.886 26.699 13.721 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.233 27.337 15.217 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.616 24.126 13.536 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.986 23.240 15.018 1.00 0.00 H new ATOM 507 N ASP A 32 41.171 27.200 11.050 1.00 0.00 N ATOM 508 CA ASP A 32 42.079 27.396 9.881 1.00 0.00 C ATOM 509 C ASP A 32 41.765 28.705 9.146 1.00 0.00 C ATOM 510 O ASP A 32 42.585 29.211 8.406 1.00 0.00 O ATOM 511 CB ASP A 32 41.907 26.227 8.910 1.00 0.00 C ATOM 512 CG ASP A 32 42.400 24.937 9.569 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.477 24.964 10.142 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.693 23.947 9.490 1.00 0.00 O ATOM 0 H ASP A 32 40.484 26.453 10.944 1.00 0.00 H new ATOM 0 HA ASP A 32 43.104 27.443 10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.859 26.126 8.628 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.466 26.416 7.994 1.00 0.00 H new ATOM 519 N LYS A 33 40.591 29.254 9.321 1.00 0.00 N ATOM 520 CA LYS A 33 40.247 30.524 8.599 1.00 0.00 C ATOM 521 C LYS A 33 40.559 31.748 9.469 1.00 0.00 C ATOM 522 O LYS A 33 41.211 32.675 9.029 1.00 0.00 O ATOM 523 CB LYS A 33 38.754 30.516 8.249 1.00 0.00 C ATOM 524 CG LYS A 33 38.451 29.389 7.244 1.00 0.00 C ATOM 525 CD LYS A 33 38.723 29.865 5.810 1.00 0.00 C ATOM 526 CE LYS A 33 38.354 28.752 4.827 1.00 0.00 C ATOM 527 NZ LYS A 33 39.110 27.514 5.170 1.00 0.00 N ATOM 0 H LYS A 33 39.858 28.885 9.927 1.00 0.00 H new ATOM 0 HA LYS A 33 40.846 30.583 7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.162 30.376 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.467 31.478 7.825 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.067 28.518 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.411 29.077 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.141 30.762 5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 33 39.774 30.132 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.282 28.559 4.866 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.585 29.061 3.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.134 26.882 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.082 27.765 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.642 27.030 5.963 1.00 0.00 H new ATOM 541 N GLU A 34 40.094 31.775 10.690 1.00 0.00 N ATOM 542 CA GLU A 34 40.363 32.960 11.565 1.00 0.00 C ATOM 543 C GLU A 34 41.693 32.772 12.298 1.00 0.00 C ATOM 544 O GLU A 34 42.341 33.726 12.680 1.00 0.00 O ATOM 545 CB GLU A 34 39.226 33.113 12.575 1.00 0.00 C ATOM 546 CG GLU A 34 37.899 33.252 11.824 1.00 0.00 C ATOM 547 CD GLU A 34 37.905 34.545 11.004 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.586 35.581 11.563 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.228 34.476 9.829 1.00 0.00 O ATOM 0 H GLU A 34 39.542 31.033 11.120 1.00 0.00 H new ATOM 0 HA GLU A 34 40.423 33.859 10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.194 32.248 13.237 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.396 33.988 13.202 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.749 32.394 11.168 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.069 33.262 12.531 1.00 0.00 H new ATOM 556 N GLY A 35 42.117 31.552 12.476 1.00 0.00 N ATOM 557 CA GLY A 35 43.419 31.305 13.159 1.00 0.00 C ATOM 558 C GLY A 35 43.273 31.409 14.682 1.00 0.00 C ATOM 559 O GLY A 35 44.242 31.309 15.407 1.00 0.00 O ATOM 0 H GLY A 35 41.618 30.714 12.178 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.790 30.315 12.893 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.158 32.027 12.811 1.00 0.00 H new ATOM 563 N ILE A 36 42.080 31.609 15.184 1.00 0.00 N ATOM 564 CA ILE A 36 41.908 31.715 16.667 1.00 0.00 C ATOM 565 C ILE A 36 41.663 30.307 17.247 1.00 0.00 C ATOM 566 O ILE A 36 40.884 29.552 16.699 1.00 0.00 O ATOM 567 CB ILE A 36 40.699 32.606 16.967 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.851 33.932 16.219 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.616 32.881 18.470 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.614 34.801 16.462 1.00 0.00 C ATOM 0 H ILE A 36 41.224 31.703 14.637 1.00 0.00 H new ATOM 0 HA ILE A 36 42.802 32.146 17.117 1.00 0.00 H new ATOM 0 HB ILE A 36 39.790 32.100 16.643 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.746 34.453 16.559 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.975 33.748 15.152 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.754 33.515 18.677 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.510 31.938 19.007 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.525 33.386 18.798 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.723 35.746 15.929 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.727 34.280 16.101 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.511 34.996 17.529 1.00 0.00 H new ATOM 582 N PRO A 37 42.311 29.932 18.337 1.00 0.00 N ATOM 583 CA PRO A 37 42.115 28.577 18.937 1.00 0.00 C ATOM 584 C PRO A 37 40.711 28.416 19.549 1.00 0.00 C ATOM 585 O PRO A 37 40.065 29.383 19.906 1.00 0.00 O ATOM 586 CB PRO A 37 43.210 28.486 20.014 1.00 0.00 C ATOM 587 CG PRO A 37 43.500 29.905 20.385 1.00 0.00 C ATOM 588 CD PRO A 37 43.286 30.730 19.113 1.00 0.00 C ATOM 0 HA PRO A 37 42.189 27.783 18.193 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.870 27.913 20.877 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.101 27.987 19.632 1.00 0.00 H new ATOM 0 HG2 PRO A 37 42.839 30.242 21.183 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.521 30.011 20.751 1.00 0.00 H new ATOM 0 HD2 PRO A 37 42.900 31.723 19.340 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.217 30.868 18.564 1.00 0.00 H new ATOM 596 N PRO A 38 40.238 27.201 19.665 1.00 0.00 N ATOM 597 CA PRO A 38 38.886 26.906 20.226 1.00 0.00 C ATOM 598 C PRO A 38 38.798 27.190 21.729 1.00 0.00 C ATOM 599 O PRO A 38 37.723 27.318 22.280 1.00 0.00 O ATOM 600 CB PRO A 38 38.697 25.414 19.935 1.00 0.00 C ATOM 601 CG PRO A 38 40.081 24.882 19.944 1.00 0.00 C ATOM 602 CD PRO A 38 40.936 25.960 19.288 1.00 0.00 C ATOM 0 HA PRO A 38 38.114 27.536 19.784 1.00 0.00 H new ATOM 0 HB2 PRO A 38 38.077 24.933 20.691 1.00 0.00 H new ATOM 0 HB3 PRO A 38 38.210 25.251 18.973 1.00 0.00 H new ATOM 0 HG2 PRO A 38 40.417 24.680 20.961 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.144 23.943 19.395 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.961 25.944 19.657 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.985 25.836 18.206 1.00 0.00 H new ATOM 610 N ASP A 39 39.912 27.281 22.399 1.00 0.00 N ATOM 611 CA ASP A 39 39.879 27.546 23.863 1.00 0.00 C ATOM 612 C ASP A 39 39.674 29.041 24.121 1.00 0.00 C ATOM 613 O ASP A 39 39.594 29.465 25.258 1.00 0.00 O ATOM 614 CB ASP A 39 41.208 27.108 24.483 1.00 0.00 C ATOM 615 CG ASP A 39 41.178 27.355 25.992 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.498 28.459 26.400 1.00 0.00 O ATOM 617 OD2 ASP A 39 40.838 26.433 26.715 1.00 0.00 O ATOM 0 H ASP A 39 40.844 27.183 21.996 1.00 0.00 H new ATOM 0 HA ASP A 39 39.056 26.988 24.309 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.384 26.051 24.281 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.031 27.661 24.030 1.00 0.00 H new ATOM 622 N GLN A 40 39.593 29.849 23.086 1.00 0.00 N ATOM 623 CA GLN A 40 39.397 31.324 23.286 1.00 0.00 C ATOM 624 C GLN A 40 38.016 31.746 22.777 1.00 0.00 C ATOM 625 O GLN A 40 37.483 32.762 23.181 1.00 0.00 O ATOM 626 CB GLN A 40 40.463 32.080 22.493 1.00 0.00 C ATOM 627 CG GLN A 40 41.832 31.837 23.125 1.00 0.00 C ATOM 628 CD GLN A 40 41.922 32.596 24.449 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.846 33.809 24.475 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.081 31.929 25.559 1.00 0.00 N ATOM 0 H GLN A 40 39.654 29.551 22.113 1.00 0.00 H new ATOM 0 HA GLN A 40 39.477 31.553 24.349 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.465 31.747 21.455 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.238 33.146 22.485 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.983 30.771 23.293 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.621 32.168 22.449 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.145 30.911 25.538 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.141 32.425 26.448 1.00 0.00 H new ATOM 639 N GLN A 41 37.442 30.979 21.881 1.00 0.00 N ATOM 640 CA GLN A 41 36.100 31.338 21.314 1.00 0.00 C ATOM 641 C GLN A 41 35.048 30.300 21.691 1.00 0.00 C ATOM 642 O GLN A 41 35.314 29.116 21.748 1.00 0.00 O ATOM 643 CB GLN A 41 36.198 31.396 19.787 1.00 0.00 C ATOM 644 CG GLN A 41 36.796 30.089 19.258 1.00 0.00 C ATOM 645 CD GLN A 41 36.794 30.111 17.729 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.539 31.135 17.127 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.068 29.017 17.071 1.00 0.00 N ATOM 0 H GLN A 41 37.846 30.116 21.516 1.00 0.00 H new ATOM 0 HA GLN A 41 35.805 32.305 21.722 1.00 0.00 H new ATOM 0 HB2 GLN A 41 35.210 31.556 19.355 1.00 0.00 H new ATOM 0 HB3 GLN A 41 36.818 32.240 19.485 1.00 0.00 H new ATOM 0 HG2 GLN A 41 37.813 29.965 19.629 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.218 29.239 19.621 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.282 28.158 17.577 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.068 29.022 16.051 1.00 0.00 H new ATOM 656 N ARG A 42 33.834 30.747 21.918 1.00 0.00 N ATOM 657 CA ARG A 42 32.724 29.826 22.248 1.00 0.00 C ATOM 658 C ARG A 42 31.561 30.151 21.297 1.00 0.00 C ATOM 659 O ARG A 42 31.060 31.260 21.261 1.00 0.00 O ATOM 660 CB ARG A 42 32.300 29.983 23.722 1.00 0.00 C ATOM 661 CG ARG A 42 31.552 28.701 24.088 1.00 0.00 C ATOM 662 CD ARG A 42 31.009 28.659 25.539 1.00 0.00 C ATOM 663 NE ARG A 42 31.281 29.900 26.323 1.00 0.00 N ATOM 664 CZ ARG A 42 31.353 29.837 27.650 1.00 0.00 C ATOM 665 NH1 ARG A 42 31.282 30.931 28.359 1.00 0.00 N ATOM 666 NH2 ARG A 42 31.527 28.690 28.277 1.00 0.00 N ATOM 0 H ARG A 42 33.572 31.732 21.885 1.00 0.00 H new ATOM 0 HA ARG A 42 33.036 28.789 22.121 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.169 30.124 24.364 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.662 30.857 23.853 1.00 0.00 H new ATOM 0 HG2 ARG A 42 30.717 28.574 23.399 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.220 27.852 23.940 1.00 0.00 H new ATOM 0 HD2 ARG A 42 29.933 28.489 25.509 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.452 27.809 26.058 1.00 0.00 H new ATOM 0 HE ARG A 42 31.411 30.791 25.844 1.00 0.00 H new ATOM 0 HH11 ARG A 42 31.171 31.833 27.895 1.00 0.00 H new ATOM 0 HH12 ARG A 42 31.337 30.884 29.376 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.610 27.825 27.744 1.00 0.00 H new ATOM 0 HH22 ARG A 42 31.579 28.668 29.295 1.00 0.00 H new ATOM 680 N LEU A 43 31.172 29.197 20.488 1.00 0.00 N ATOM 681 CA LEU A 43 30.089 29.439 19.482 1.00 0.00 C ATOM 682 C LEU A 43 28.697 29.217 20.086 1.00 0.00 C ATOM 683 O LEU A 43 28.369 28.142 20.562 1.00 0.00 O ATOM 684 CB LEU A 43 30.285 28.481 18.303 1.00 0.00 C ATOM 685 CG LEU A 43 31.756 28.486 17.872 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.940 27.558 16.669 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.179 29.911 17.488 1.00 0.00 C ATOM 0 H LEU A 43 31.560 28.254 20.481 1.00 0.00 H new ATOM 0 HA LEU A 43 30.152 30.476 19.153 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.983 27.473 18.587 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.651 28.781 17.469 1.00 0.00 H new ATOM 0 HG LEU A 43 32.374 28.137 18.699 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.986 27.562 16.363 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.646 26.545 16.943 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.319 27.905 15.843 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.225 29.910 17.182 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.560 30.264 16.663 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.052 30.572 18.346 1.00 0.00 H new ATOM 699 N ILE A 44 27.872 30.238 20.054 1.00 0.00 N ATOM 700 CA ILE A 44 26.489 30.129 20.604 1.00 0.00 C ATOM 701 C ILE A 44 25.497 30.097 19.440 1.00 0.00 C ATOM 702 O ILE A 44 25.715 30.686 18.399 1.00 0.00 O ATOM 703 CB ILE A 44 26.193 31.358 21.488 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.874 31.180 22.854 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.671 31.529 21.694 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.402 31.146 22.692 1.00 0.00 C ATOM 0 H ILE A 44 28.105 31.152 19.665 1.00 0.00 H new ATOM 0 HA ILE A 44 26.397 29.221 21.199 1.00 0.00 H new ATOM 0 HB ILE A 44 26.581 32.247 20.990 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.591 31.997 23.518 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.531 30.257 23.321 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.484 32.401 22.320 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.186 31.666 20.727 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.268 30.641 22.180 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.869 31.019 23.669 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.681 30.314 22.046 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.742 32.081 22.246 1.00 0.00 H new ATOM 718 N PHE A 45 24.393 29.436 19.628 1.00 0.00 N ATOM 719 CA PHE A 45 23.350 29.376 18.570 1.00 0.00 C ATOM 720 C PHE A 45 21.999 29.506 19.259 1.00 0.00 C ATOM 721 O PHE A 45 21.726 28.826 20.228 1.00 0.00 O ATOM 722 CB PHE A 45 23.433 28.040 17.827 1.00 0.00 C ATOM 723 CG PHE A 45 22.251 27.911 16.897 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.246 28.594 15.677 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.159 27.111 17.258 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.150 28.479 14.815 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.062 26.995 16.395 1.00 0.00 C ATOM 728 CZ PHE A 45 20.058 27.680 15.173 1.00 0.00 C ATOM 0 H PHE A 45 24.165 28.927 20.482 1.00 0.00 H new ATOM 0 HA PHE A 45 23.491 30.176 17.843 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.363 27.983 17.261 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.442 27.215 18.539 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.088 29.210 15.400 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.163 26.584 18.201 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.147 29.007 13.873 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.220 26.378 16.671 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.212 27.592 14.507 1.00 0.00 H new ATOM 738 N ALA A 46 21.160 30.384 18.788 1.00 0.00 N ATOM 739 CA ALA A 46 19.841 30.564 19.447 1.00 0.00 C ATOM 740 C ALA A 46 20.077 30.823 20.940 1.00 0.00 C ATOM 741 O ALA A 46 20.706 31.795 21.309 1.00 0.00 O ATOM 742 CB ALA A 46 18.989 29.305 19.253 1.00 0.00 C ATOM 0 H ALA A 46 21.330 30.982 17.979 1.00 0.00 H new ATOM 0 HA ALA A 46 19.311 31.408 19.007 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.022 29.441 19.738 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.839 29.128 18.188 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.499 28.449 19.695 1.00 0.00 H new ATOM 748 N GLY A 47 19.564 29.978 21.802 1.00 0.00 N ATOM 749 CA GLY A 47 19.737 30.179 23.275 1.00 0.00 C ATOM 750 C GLY A 47 20.542 29.027 23.885 1.00 0.00 C ATOM 751 O GLY A 47 20.410 28.733 25.056 1.00 0.00 O ATOM 0 H GLY A 47 19.028 29.150 21.545 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.246 31.124 23.461 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.761 30.243 23.756 1.00 0.00 H new ATOM 755 N LYS A 48 21.401 28.389 23.121 1.00 0.00 N ATOM 756 CA LYS A 48 22.240 27.279 23.687 1.00 0.00 C ATOM 757 C LYS A 48 23.660 27.436 23.210 1.00 0.00 C ATOM 758 O LYS A 48 24.018 28.390 22.557 1.00 0.00 O ATOM 759 CB LYS A 48 21.795 25.896 23.210 1.00 0.00 C ATOM 760 CG LYS A 48 20.400 25.556 23.698 1.00 0.00 C ATOM 761 CD LYS A 48 20.362 25.471 25.233 1.00 0.00 C ATOM 762 CE LYS A 48 19.119 24.690 25.680 1.00 0.00 C ATOM 763 NZ LYS A 48 19.090 23.355 25.015 1.00 0.00 N ATOM 0 H LYS A 48 21.557 28.588 22.133 1.00 0.00 H new ATOM 0 HA LYS A 48 22.140 27.345 24.770 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.818 25.862 22.121 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.499 25.144 23.567 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.695 26.313 23.354 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.082 24.606 23.269 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.263 24.980 25.602 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.347 26.473 25.662 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.127 24.566 26.763 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.218 25.250 25.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.642 22.662 25.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.546 23.419 24.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.062 23.052 24.802 1.00 0.00 H new ATOM 777 N GLN A 49 24.467 26.479 23.545 1.00 0.00 N ATOM 778 CA GLN A 49 25.899 26.501 23.144 1.00 0.00 C ATOM 779 C GLN A 49 26.209 25.254 22.331 1.00 0.00 C ATOM 780 O GLN A 49 25.947 24.144 22.750 1.00 0.00 O ATOM 781 CB GLN A 49 26.772 26.530 24.390 1.00 0.00 C ATOM 782 CG GLN A 49 26.241 27.597 25.347 1.00 0.00 C ATOM 783 CD GLN A 49 27.237 27.805 26.488 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.590 26.871 27.179 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.708 29.001 26.717 1.00 0.00 N ATOM 0 H GLN A 49 24.192 25.663 24.092 1.00 0.00 H new ATOM 0 HA GLN A 49 26.100 27.387 22.542 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.768 25.554 24.875 1.00 0.00 H new ATOM 0 HB3 GLN A 49 27.805 26.747 24.120 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.085 28.534 24.812 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.274 27.293 25.746 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.412 29.786 26.137 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.372 29.151 27.476 1.00 0.00 H new ATOM 794 N LEU A 50 26.749 25.424 21.161 1.00 0.00 N ATOM 795 CA LEU A 50 27.058 24.242 20.313 1.00 0.00 C ATOM 796 C LEU A 50 28.027 23.318 21.055 1.00 0.00 C ATOM 797 O LEU A 50 29.133 23.698 21.386 1.00 0.00 O ATOM 798 CB LEU A 50 27.680 24.723 19.000 1.00 0.00 C ATOM 799 CG LEU A 50 26.768 25.775 18.356 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.392 26.253 17.042 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.382 25.166 18.077 1.00 0.00 C ATOM 0 H LEU A 50 26.990 26.328 20.754 1.00 0.00 H new ATOM 0 HA LEU A 50 26.145 23.687 20.097 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.667 25.147 19.187 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.818 23.882 18.321 1.00 0.00 H new ATOM 0 HG LEU A 50 26.656 26.619 19.036 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.745 27.001 16.583 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.369 26.692 17.242 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.506 25.407 16.364 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.739 25.918 17.620 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.487 24.318 17.400 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.937 24.830 19.014 1.00 0.00 H new ATOM 813 N GLU A 51 27.615 22.101 21.327 1.00 0.00 N ATOM 814 CA GLU A 51 28.501 21.142 22.055 1.00 0.00 C ATOM 815 C GLU A 51 29.284 20.294 21.044 1.00 0.00 C ATOM 816 O GLU A 51 29.004 20.300 19.864 1.00 0.00 O ATOM 817 CB GLU A 51 27.645 20.225 22.937 1.00 0.00 C ATOM 818 CG GLU A 51 26.673 21.065 23.771 1.00 0.00 C ATOM 819 CD GLU A 51 27.459 21.957 24.733 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.865 23.030 24.318 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.639 21.553 25.870 1.00 0.00 O ATOM 0 H GLU A 51 26.699 21.732 21.074 1.00 0.00 H new ATOM 0 HA GLU A 51 29.201 21.698 22.679 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.091 19.521 22.316 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.285 19.635 23.593 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.052 21.677 23.117 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.001 20.414 24.330 1.00 0.00 H new ATOM 828 N ASP A 52 30.275 19.577 21.503 1.00 0.00 N ATOM 829 CA ASP A 52 31.103 18.738 20.581 1.00 0.00 C ATOM 830 C ASP A 52 30.553 17.308 20.495 1.00 0.00 C ATOM 831 O ASP A 52 30.053 16.763 21.459 1.00 0.00 O ATOM 832 CB ASP A 52 32.533 18.679 21.118 1.00 0.00 C ATOM 833 CG ASP A 52 33.106 20.093 21.222 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.621 20.849 22.049 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.022 20.396 20.477 1.00 0.00 O ATOM 0 H ASP A 52 30.550 19.535 22.484 1.00 0.00 H new ATOM 0 HA ASP A 52 31.077 19.185 19.587 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.544 18.199 22.097 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.154 18.073 20.459 1.00 0.00 H new ATOM 840 N GLY A 53 30.680 16.683 19.346 1.00 0.00 N ATOM 841 CA GLY A 53 30.208 15.268 19.186 1.00 0.00 C ATOM 842 C GLY A 53 28.778 15.207 18.627 1.00 0.00 C ATOM 843 O GLY A 53 28.179 14.151 18.582 1.00 0.00 O ATOM 0 H GLY A 53 31.092 17.094 18.509 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.883 14.732 18.519 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.244 14.761 20.150 1.00 0.00 H new ATOM 847 N ARG A 54 28.214 16.327 18.225 1.00 0.00 N ATOM 848 CA ARG A 54 26.802 16.327 17.694 1.00 0.00 C ATOM 849 C ARG A 54 26.767 16.929 16.279 1.00 0.00 C ATOM 850 O ARG A 54 27.714 17.540 15.830 1.00 0.00 O ATOM 851 CB ARG A 54 25.921 17.133 18.661 1.00 0.00 C ATOM 852 CG ARG A 54 26.141 16.568 20.081 1.00 0.00 C ATOM 853 CD ARG A 54 25.369 17.367 21.151 1.00 0.00 C ATOM 854 NE ARG A 54 24.129 16.636 21.524 1.00 0.00 N ATOM 855 CZ ARG A 54 23.556 16.831 22.697 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.378 16.312 22.923 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.160 17.507 23.659 1.00 0.00 N ATOM 0 H ARG A 54 28.667 17.241 18.241 1.00 0.00 H new ATOM 0 HA ARG A 54 26.424 15.307 17.626 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.183 18.190 18.626 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.872 17.055 18.377 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.824 15.526 20.109 1.00 0.00 H new ATOM 0 HG3 ARG A 54 27.205 16.584 20.316 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.995 17.514 22.031 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.118 18.357 20.769 1.00 0.00 H new ATOM 0 HE ARG A 54 23.716 15.976 20.865 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.914 15.765 22.198 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.923 16.454 23.825 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.092 17.893 23.504 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.695 17.643 24.556 1.00 0.00 H new ATOM 871 N THR A 55 25.694 16.718 15.552 1.00 0.00 N ATOM 872 CA THR A 55 25.608 17.244 14.148 1.00 0.00 C ATOM 873 C THR A 55 24.853 18.578 14.113 1.00 0.00 C ATOM 874 O THR A 55 23.957 18.818 14.894 1.00 0.00 O ATOM 875 CB THR A 55 24.860 16.228 13.281 1.00 0.00 C ATOM 876 OG1 THR A 55 23.669 15.829 13.947 1.00 0.00 O ATOM 877 CG2 THR A 55 25.747 15.007 13.040 1.00 0.00 C ATOM 0 H THR A 55 24.872 16.204 15.870 1.00 0.00 H new ATOM 0 HA THR A 55 26.618 17.401 13.770 1.00 0.00 H new ATOM 0 HB THR A 55 24.607 16.682 12.323 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.187 15.180 13.394 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.212 14.285 12.423 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.660 15.315 12.530 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.002 14.549 13.995 1.00 0.00 H new ATOM 885 N LEU A 56 25.215 19.449 13.203 1.00 0.00 N ATOM 886 CA LEU A 56 24.523 20.770 13.106 1.00 0.00 C ATOM 887 C LEU A 56 23.013 20.543 12.931 1.00 0.00 C ATOM 888 O LEU A 56 22.203 21.327 13.383 1.00 0.00 O ATOM 889 CB LEU A 56 25.088 21.548 11.893 1.00 0.00 C ATOM 890 CG LEU A 56 26.212 22.495 12.339 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.389 21.681 12.877 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.676 23.331 11.143 1.00 0.00 C ATOM 0 H LEU A 56 25.961 19.301 12.523 1.00 0.00 H new ATOM 0 HA LEU A 56 24.692 21.348 14.015 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.468 20.848 11.149 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.291 22.119 11.416 1.00 0.00 H new ATOM 0 HG LEU A 56 25.840 23.153 13.124 1.00 0.00 H new ATOM 0 HD11 LEU A 56 28.184 22.356 13.192 1.00 0.00 H new ATOM 0 HD12 LEU A 56 27.060 21.085 13.728 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.763 21.021 12.094 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.474 24.004 11.457 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.046 22.670 10.359 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.839 23.915 10.760 1.00 0.00 H new ATOM 904 N SER A 57 22.631 19.476 12.288 1.00 0.00 N ATOM 905 CA SER A 57 21.177 19.208 12.099 1.00 0.00 C ATOM 906 C SER A 57 20.520 19.029 13.470 1.00 0.00 C ATOM 907 O SER A 57 19.329 19.206 13.629 1.00 0.00 O ATOM 908 CB SER A 57 20.992 17.932 11.276 1.00 0.00 C ATOM 909 OG SER A 57 19.611 17.758 10.989 1.00 0.00 O ATOM 0 H SER A 57 23.259 18.780 11.886 1.00 0.00 H new ATOM 0 HA SER A 57 20.716 20.044 11.574 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.563 17.996 10.350 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.373 17.072 11.826 1.00 0.00 H new ATOM 0 HG SER A 57 19.487 16.942 10.460 1.00 0.00 H new ATOM 915 N ASP A 58 21.294 18.663 14.454 1.00 0.00 N ATOM 916 CA ASP A 58 20.726 18.455 15.814 1.00 0.00 C ATOM 917 C ASP A 58 20.133 19.766 16.323 1.00 0.00 C ATOM 918 O ASP A 58 19.370 19.784 17.270 1.00 0.00 O ATOM 919 CB ASP A 58 21.826 17.987 16.769 1.00 0.00 C ATOM 920 CG ASP A 58 21.227 17.748 18.156 1.00 0.00 C ATOM 921 OD1 ASP A 58 21.139 18.700 18.913 1.00 0.00 O ATOM 922 OD2 ASP A 58 20.865 16.617 18.438 1.00 0.00 O ATOM 0 H ASP A 58 22.298 18.499 14.374 1.00 0.00 H new ATOM 0 HA ASP A 58 19.946 17.696 15.766 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.282 17.070 16.395 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.616 18.736 16.826 1.00 0.00 H new ATOM 927 N TYR A 59 20.484 20.868 15.710 1.00 0.00 N ATOM 928 CA TYR A 59 19.957 22.194 16.156 1.00 0.00 C ATOM 929 C TYR A 59 18.882 22.694 15.182 1.00 0.00 C ATOM 930 O TYR A 59 18.344 23.768 15.358 1.00 0.00 O ATOM 931 CB TYR A 59 21.122 23.200 16.191 1.00 0.00 C ATOM 932 CG TYR A 59 21.799 23.164 17.542 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.086 22.631 17.675 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.136 23.683 18.659 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.708 22.621 18.932 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.756 23.667 19.911 1.00 0.00 C ATOM 937 CZ TYR A 59 23.042 23.137 20.048 1.00 0.00 C ATOM 938 OH TYR A 59 23.656 23.126 21.284 1.00 0.00 O ATOM 0 H TYR A 59 21.119 20.906 14.913 1.00 0.00 H new ATOM 0 HA TYR A 59 19.513 22.094 17.146 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.842 22.962 15.408 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.751 24.205 15.988 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.598 22.229 16.813 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.144 24.096 18.554 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.703 22.214 19.038 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.241 24.064 20.773 1.00 0.00 H new ATOM 0 HH TYR A 59 23.057 23.522 21.950 1.00 0.00 H new ATOM 948 N ASN A 60 18.564 21.949 14.159 1.00 0.00 N ATOM 949 CA ASN A 60 17.526 22.425 13.200 1.00 0.00 C ATOM 950 C ASN A 60 17.889 23.830 12.709 1.00 0.00 C ATOM 951 O ASN A 60 17.051 24.706 12.625 1.00 0.00 O ATOM 952 CB ASN A 60 16.162 22.450 13.893 1.00 0.00 C ATOM 953 CG ASN A 60 15.845 21.056 14.439 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.587 20.140 13.684 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.856 20.855 15.729 1.00 0.00 N ATOM 0 H ASN A 60 18.973 21.039 13.946 1.00 0.00 H new ATOM 0 HA ASN A 60 17.480 21.749 12.346 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.167 23.178 14.704 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.390 22.762 13.190 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.648 19.929 16.103 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.073 21.624 16.363 1.00 0.00 H new ATOM 962 N ILE A 61 19.134 24.046 12.380 1.00 0.00 N ATOM 963 CA ILE A 61 19.565 25.387 11.889 1.00 0.00 C ATOM 964 C ILE A 61 18.912 25.660 10.528 1.00 0.00 C ATOM 965 O ILE A 61 18.240 24.811 9.976 1.00 0.00 O ATOM 966 CB ILE A 61 21.094 25.399 11.762 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.706 25.157 13.147 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.573 26.752 11.216 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.204 24.872 13.009 1.00 0.00 C ATOM 0 H ILE A 61 19.875 23.347 12.431 1.00 0.00 H new ATOM 0 HA ILE A 61 19.258 26.165 12.588 1.00 0.00 H new ATOM 0 HB ILE A 61 21.407 24.616 11.072 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.549 26.029 13.781 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.210 24.317 13.632 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.660 26.746 11.131 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.133 26.924 10.234 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.266 27.548 11.895 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.634 24.701 13.996 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.350 23.986 12.391 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.695 25.726 12.542 1.00 0.00 H new ATOM 981 N GLN A 62 19.093 26.843 9.986 1.00 0.00 N ATOM 982 CA GLN A 62 18.475 27.179 8.661 1.00 0.00 C ATOM 983 C GLN A 62 19.497 27.901 7.773 1.00 0.00 C ATOM 984 O GLN A 62 20.278 28.716 8.229 1.00 0.00 O ATOM 985 CB GLN A 62 17.262 28.086 8.884 1.00 0.00 C ATOM 986 CG GLN A 62 16.468 28.210 7.581 1.00 0.00 C ATOM 987 CD GLN A 62 15.744 26.891 7.296 1.00 0.00 C ATOM 988 OE1 GLN A 62 16.231 26.066 6.550 1.00 0.00 O ATOM 989 NE2 GLN A 62 14.590 26.660 7.861 1.00 0.00 N ATOM 0 H GLN A 62 19.644 27.592 10.405 1.00 0.00 H new ATOM 0 HA GLN A 62 18.162 26.259 8.167 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.628 27.676 9.670 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.588 29.071 9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.747 29.024 7.658 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.138 28.455 6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.181 27.353 8.488 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.097 25.786 7.676 1.00 0.00 H new ATOM 998 N LYS A 63 19.506 27.587 6.506 1.00 0.00 N ATOM 999 CA LYS A 63 20.479 28.227 5.578 1.00 0.00 C ATOM 1000 C LYS A 63 20.424 29.752 5.707 1.00 0.00 C ATOM 1001 O LYS A 63 19.378 30.340 5.896 1.00 0.00 O ATOM 1002 CB LYS A 63 20.154 27.820 4.137 1.00 0.00 C ATOM 1003 CG LYS A 63 18.727 28.247 3.781 1.00 0.00 C ATOM 1004 CD LYS A 63 18.386 27.743 2.374 1.00 0.00 C ATOM 1005 CE LYS A 63 16.903 27.986 2.083 1.00 0.00 C ATOM 1006 NZ LYS A 63 16.619 29.447 2.124 1.00 0.00 N ATOM 0 H LYS A 63 18.877 26.911 6.072 1.00 0.00 H new ATOM 0 HA LYS A 63 21.483 27.892 5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.863 28.283 3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.259 26.741 4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.022 27.841 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.638 29.333 3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.000 28.257 1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.613 26.680 2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.643 27.582 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.288 27.465 2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.680 29.630 1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.638 29.777 3.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.340 29.956 1.575 1.00 0.00 H new ATOM 1020 N GLU A 64 21.558 30.390 5.594 1.00 0.00 N ATOM 1021 CA GLU A 64 21.623 31.876 5.689 1.00 0.00 C ATOM 1022 C GLU A 64 21.325 32.338 7.121 1.00 0.00 C ATOM 1023 O GLU A 64 21.051 33.498 7.357 1.00 0.00 O ATOM 1024 CB GLU A 64 20.618 32.512 4.713 1.00 0.00 C ATOM 1025 CG GLU A 64 21.079 33.930 4.346 1.00 0.00 C ATOM 1026 CD GLU A 64 19.999 34.628 3.518 1.00 0.00 C ATOM 1027 OE1 GLU A 64 19.377 33.961 2.708 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.814 35.819 3.706 1.00 0.00 O ATOM 0 H GLU A 64 22.457 29.935 5.437 1.00 0.00 H new ATOM 0 HA GLU A 64 22.631 32.195 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.534 31.902 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.628 32.547 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.282 34.502 5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.010 33.885 3.782 1.00 0.00 H new HETATM 1035 N SEP A 65 21.404 31.462 8.089 1.00 0.00 N HETATM 1036 CA SEP A 65 21.156 31.897 9.494 1.00 0.00 C HETATM 1037 CB SEP A 65 20.729 30.696 10.337 1.00 0.00 C HETATM 1038 OG SEP A 65 20.883 31.010 11.717 1.00 0.00 O HETATM 1039 C SEP A 65 22.459 32.479 10.050 1.00 0.00 C HETATM 1040 O SEP A 65 23.533 32.157 9.577 1.00 0.00 O HETATM 1041 P SEP A 65 19.786 31.791 12.463 1.00 0.00 P HETATM 1042 O1P SEP A 65 19.718 33.188 11.755 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.481 30.942 12.284 1.00 0.00 O HETATM 1044 O3P SEP A 65 20.273 31.872 13.950 1.00 0.00 O HETATM 0 HB3 SEP A 65 19.691 30.439 10.125 1.00 0.00 H new HETATM 0 HB2 SEP A 65 21.332 29.825 10.081 1.00 0.00 H new HETATM 0 HA SEP A 65 20.364 32.646 9.523 1.00 0.00 H new HETATM 0 H SEP A 65 21.279 30.484 7.828 1.00 0.00 H new HETATM 1049 N TPO A 66 22.380 33.345 11.034 1.00 0.00 N HETATM 1050 CA TPO A 66 23.627 33.956 11.603 1.00 0.00 C HETATM 1051 CB TPO A 66 23.457 35.469 11.740 1.00 0.00 C HETATM 1052 CG2 TPO A 66 23.033 36.068 10.402 1.00 0.00 C HETATM 1053 OG1 TPO A 66 22.474 35.752 12.725 1.00 0.00 O HETATM 1054 P TPO A 66 22.202 37.206 13.144 1.00 0.00 P HETATM 1055 O1P TPO A 66 23.556 37.962 12.920 1.00 0.00 O HETATM 1056 O2P TPO A 66 21.053 37.699 12.199 1.00 0.00 O HETATM 1057 O3P TPO A 66 21.777 37.130 14.650 1.00 0.00 O HETATM 1058 C TPO A 66 23.926 33.376 12.984 1.00 0.00 C HETATM 1059 O TPO A 66 23.076 33.324 13.850 1.00 0.00 O HETATM 0 HG23 TPO A 66 23.796 35.859 9.652 1.00 0.00 H new HETATM 0 HG22 TPO A 66 22.086 35.627 10.090 1.00 0.00 H new HETATM 0 HG21 TPO A 66 22.914 37.146 10.508 1.00 0.00 H new HETATM 0 HB TPO A 66 24.407 35.909 12.042 1.00 0.00 H new HETATM 0 HA TPO A 66 24.451 33.732 10.925 1.00 0.00 H new HETATM 0 H TPO A 66 21.582 33.937 10.802 1.00 0.00 H new ATOM 1066 N LEU A 67 25.141 32.941 13.192 1.00 0.00 N ATOM 1067 CA LEU A 67 25.525 32.362 14.511 1.00 0.00 C ATOM 1068 C LEU A 67 26.142 33.467 15.374 1.00 0.00 C ATOM 1069 O LEU A 67 26.691 34.426 14.866 1.00 0.00 O ATOM 1070 CB LEU A 67 26.565 31.254 14.297 1.00 0.00 C ATOM 1071 CG LEU A 67 25.882 29.988 13.769 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.073 30.316 12.509 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.952 28.944 13.430 1.00 0.00 C ATOM 0 H LEU A 67 25.889 32.963 12.499 1.00 0.00 H new ATOM 0 HA LEU A 67 24.645 31.948 15.004 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.325 31.589 13.591 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.076 31.037 15.235 1.00 0.00 H new ATOM 0 HG LEU A 67 25.209 29.596 14.532 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.591 29.411 12.140 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.313 31.060 12.748 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.739 30.711 11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.472 28.040 13.054 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.622 29.343 12.668 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.524 28.705 14.327 1.00 0.00 H new ATOM 1085 N HIS A 68 26.061 33.334 16.672 1.00 0.00 N ATOM 1086 CA HIS A 68 26.646 34.371 17.578 1.00 0.00 C ATOM 1087 C HIS A 68 27.975 33.860 18.115 1.00 0.00 C ATOM 1088 O HIS A 68 28.068 32.740 18.580 1.00 0.00 O ATOM 1089 CB HIS A 68 25.708 34.615 18.758 1.00 0.00 C ATOM 1090 CG HIS A 68 24.295 34.754 18.259 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.199 34.370 19.020 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.782 35.238 17.080 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.094 34.628 18.298 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.395 35.158 17.110 1.00 0.00 N ATOM 0 H HIS A 68 25.614 32.550 17.147 1.00 0.00 H new ATOM 0 HA HIS A 68 26.787 35.298 17.023 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.775 33.789 19.466 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.006 35.517 19.292 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.367 35.622 16.257 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.088 34.431 18.637 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.744 35.444 16.379 1.00 0.00 H new ATOM 1103 N LEU A 69 29.003 34.665 18.061 1.00 0.00 N ATOM 1104 CA LEU A 69 30.334 34.219 18.576 1.00 0.00 C ATOM 1105 C LEU A 69 30.721 35.064 19.786 1.00 0.00 C ATOM 1106 O LEU A 69 30.739 36.278 19.729 1.00 0.00 O ATOM 1107 CB LEU A 69 31.388 34.378 17.469 1.00 0.00 C ATOM 1108 CG LEU A 69 32.742 33.744 17.901 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.400 33.050 16.704 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.700 34.828 18.421 1.00 0.00 C ATOM 0 H LEU A 69 28.980 35.612 17.683 1.00 0.00 H new ATOM 0 HA LEU A 69 30.280 33.172 18.874 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.035 33.904 16.553 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.531 35.435 17.246 1.00 0.00 H new ATOM 0 HG LEU A 69 32.542 33.021 18.691 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.347 32.609 17.015 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.740 32.267 16.330 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.581 33.780 15.915 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.642 34.368 18.719 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.886 35.558 17.633 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.252 35.328 19.280 1.00 0.00 H new ATOM 1122 N VAL A 70 31.041 34.422 20.881 1.00 0.00 N ATOM 1123 CA VAL A 70 31.443 35.159 22.119 1.00 0.00 C ATOM 1124 C VAL A 70 32.780 34.602 22.600 1.00 0.00 C ATOM 1125 O VAL A 70 33.058 33.430 22.447 1.00 0.00 O ATOM 1126 CB VAL A 70 30.387 34.943 23.203 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.760 35.746 24.450 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.028 35.410 22.684 1.00 0.00 C ATOM 0 H VAL A 70 31.041 33.406 20.971 1.00 0.00 H new ATOM 0 HA VAL A 70 31.532 36.225 21.909 1.00 0.00 H new ATOM 0 HB VAL A 70 30.338 33.884 23.457 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.006 35.591 25.222 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.731 35.415 24.819 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.810 36.806 24.199 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.272 35.257 23.455 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.080 36.469 22.431 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.761 34.837 21.796 1.00 0.00 H new ATOM 1138 N LEU A 71 33.611 35.417 23.193 1.00 0.00 N ATOM 1139 CA LEU A 71 34.926 34.911 23.689 1.00 0.00 C ATOM 1140 C LEU A 71 34.781 34.518 25.160 1.00 0.00 C ATOM 1141 O LEU A 71 33.929 35.018 25.867 1.00 0.00 O ATOM 1142 CB LEU A 71 35.982 36.016 23.545 1.00 0.00 C ATOM 1143 CG LEU A 71 36.490 36.062 22.099 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.301 36.170 21.141 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.407 37.275 21.918 1.00 0.00 C ATOM 0 H LEU A 71 33.438 36.409 23.356 1.00 0.00 H new ATOM 0 HA LEU A 71 35.237 34.043 23.108 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.554 36.980 23.821 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.812 35.830 24.226 1.00 0.00 H new ATOM 0 HG LEU A 71 37.047 35.151 21.881 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.663 36.203 20.114 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.651 35.305 21.269 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.741 37.080 21.357 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.768 37.308 20.890 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.851 38.187 22.137 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.255 37.195 22.598 1.00 0.00 H new ATOM 1157 N ARG A 72 35.595 33.618 25.633 1.00 0.00 N ATOM 1158 CA ARG A 72 35.470 33.207 27.055 1.00 0.00 C ATOM 1159 C ARG A 72 35.570 34.427 27.961 1.00 0.00 C ATOM 1160 O ARG A 72 35.267 34.364 29.136 1.00 0.00 O ATOM 1161 CB ARG A 72 36.570 32.219 27.418 1.00 0.00 C ATOM 1162 CG ARG A 72 37.966 32.818 27.195 1.00 0.00 C ATOM 1163 CD ARG A 72 39.027 31.760 27.593 1.00 0.00 C ATOM 1164 NE ARG A 72 40.072 32.359 28.469 1.00 0.00 N ATOM 1165 CZ ARG A 72 40.760 31.601 29.313 1.00 0.00 C ATOM 1166 NH1 ARG A 72 41.813 32.098 29.909 1.00 0.00 N ATOM 1167 NH2 ARG A 72 40.390 30.365 29.599 1.00 0.00 N ATOM 0 H ARG A 72 36.333 33.154 25.103 1.00 0.00 H new ATOM 0 HA ARG A 72 34.500 32.730 27.193 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.463 31.923 28.462 1.00 0.00 H new ATOM 0 HB3 ARG A 72 36.461 31.316 26.817 1.00 0.00 H new ATOM 0 HG2 ARG A 72 38.092 33.106 26.151 1.00 0.00 H new ATOM 0 HG3 ARG A 72 38.090 33.721 27.792 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.544 30.931 28.111 1.00 0.00 H new ATOM 0 HD3 ARG A 72 39.490 31.349 26.696 1.00 0.00 H new ATOM 0 HE ARG A 72 40.260 33.360 28.420 1.00 0.00 H new ATOM 0 HH11 ARG A 72 42.098 33.060 29.723 1.00 0.00 H new ATOM 0 HH12 ARG A 72 42.349 31.524 30.560 1.00 0.00 H new ATOM 0 HH21 ARG A 72 39.555 29.970 29.167 1.00 0.00 H new ATOM 0 HH22 ARG A 72 40.939 29.806 30.252 1.00 0.00 H new ATOM 1181 N LEU A 73 35.969 35.542 27.428 1.00 0.00 N ATOM 1182 CA LEU A 73 36.067 36.762 28.268 1.00 0.00 C ATOM 1183 C LEU A 73 34.683 37.102 28.813 1.00 0.00 C ATOM 1184 O LEU A 73 34.532 37.957 29.662 1.00 0.00 O ATOM 1185 CB LEU A 73 36.566 37.927 27.414 1.00 0.00 C ATOM 1186 CG LEU A 73 37.893 37.557 26.748 1.00 0.00 C ATOM 1187 CD1 LEU A 73 38.289 38.676 25.784 1.00 0.00 C ATOM 1188 CD2 LEU A 73 38.984 37.375 27.817 1.00 0.00 C ATOM 0 H LEU A 73 36.231 35.662 26.450 1.00 0.00 H new ATOM 0 HA LEU A 73 36.760 36.587 29.091 1.00 0.00 H new ATOM 0 HB2 LEU A 73 35.825 38.175 26.654 1.00 0.00 H new ATOM 0 HB3 LEU A 73 36.696 38.814 28.034 1.00 0.00 H new ATOM 0 HG LEU A 73 37.782 36.621 26.201 1.00 0.00 H new ATOM 0 HD11 LEU A 73 39.234 38.424 25.303 1.00 0.00 H new ATOM 0 HD12 LEU A 73 37.515 38.793 25.025 1.00 0.00 H new ATOM 0 HD13 LEU A 73 38.401 39.609 26.336 1.00 0.00 H new ATOM 0 HD21 LEU A 73 39.925 37.112 27.335 1.00 0.00 H new ATOM 0 HD22 LEU A 73 39.108 38.305 28.372 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.693 36.579 28.503 1.00 0.00 H new ATOM 1200 N ARG A 74 33.665 36.450 28.321 1.00 0.00 N ATOM 1201 CA ARG A 74 32.291 36.756 28.805 1.00 0.00 C ATOM 1202 C ARG A 74 31.357 35.574 28.504 1.00 0.00 C ATOM 1203 O ARG A 74 31.484 34.911 27.494 1.00 0.00 O ATOM 1204 CB ARG A 74 31.795 38.023 28.086 1.00 0.00 C ATOM 1205 CG ARG A 74 30.640 38.658 28.876 1.00 0.00 C ATOM 1206 CD ARG A 74 30.373 40.089 28.394 1.00 0.00 C ATOM 1207 NE ARG A 74 30.646 40.230 26.950 1.00 0.00 N ATOM 1208 CZ ARG A 74 30.689 41.430 26.431 1.00 0.00 C ATOM 1209 NH1 ARG A 74 30.815 41.575 25.142 1.00 0.00 N ATOM 1210 NH2 ARG A 74 30.597 42.487 27.209 1.00 0.00 N ATOM 0 H ARG A 74 33.725 35.723 27.609 1.00 0.00 H new ATOM 0 HA ARG A 74 32.299 36.921 29.882 1.00 0.00 H new ATOM 0 HB2 ARG A 74 32.612 38.737 27.984 1.00 0.00 H new ATOM 0 HB3 ARG A 74 31.463 37.773 27.078 1.00 0.00 H new ATOM 0 HG2 ARG A 74 29.739 38.056 28.759 1.00 0.00 H new ATOM 0 HG3 ARG A 74 30.882 38.667 29.939 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.336 40.356 28.598 1.00 0.00 H new ATOM 0 HD3 ARG A 74 30.997 40.786 28.954 1.00 0.00 H new ATOM 0 HE ARG A 74 30.798 39.407 26.368 1.00 0.00 H new ATOM 0 HH11 ARG A 74 30.880 40.754 24.540 1.00 0.00 H new ATOM 0 HH12 ARG A 74 30.849 42.510 24.735 1.00 0.00 H new ATOM 0 HH21 ARG A 74 30.492 42.371 28.217 1.00 0.00 H new ATOM 0 HH22 ARG A 74 30.631 43.423 26.804 1.00 0.00 H new ATOM 1224 N GLY A 75 30.422 35.309 29.379 1.00 0.00 N ATOM 1225 CA GLY A 75 29.479 34.172 29.155 1.00 0.00 C ATOM 1226 C GLY A 75 28.370 34.209 30.216 1.00 0.00 C ATOM 1227 O GLY A 75 27.593 35.142 30.279 1.00 0.00 O ATOM 0 H GLY A 75 30.270 35.832 30.241 1.00 0.00 H new ATOM 0 HA2 GLY A 75 29.045 34.237 28.157 1.00 0.00 H new ATOM 0 HA3 GLY A 75 30.016 33.225 29.208 1.00 0.00 H new ATOM 1231 N GLY A 76 28.285 33.204 31.050 1.00 0.00 N ATOM 1232 CA GLY A 76 27.224 33.191 32.102 1.00 0.00 C ATOM 1233 C GLY A 76 25.850 33.069 31.443 1.00 0.00 C ATOM 1234 O GLY A 76 25.260 32.004 31.537 1.00 0.00 O ATOM 1235 OXT GLY A 76 25.406 34.042 30.856 1.00 0.00 O ATOM 0 H GLY A 76 28.904 32.393 31.048 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.386 32.358 32.786 1.00 0.00 H new ATOM 0 HA3 GLY A 76 27.274 34.104 32.695 1.00 0.00 H new TER 1239 GLY A 76