USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.595 (180deg=-0.904!) USER MOD Single : A 2 GLN : amide:sc= -0.785 X(o=-0.79,f=-0.79) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -39:sc= -4.74! USER MOD Single : A 9 THR OG1 : rot -9:sc= 0.926 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -117:sc= 0.331 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -150:sc= -1.54 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -115:sc= -0.379 (180deg=-0.765) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.9!) USER MOD Single : A 41 GLN : amide:sc= -1.95 K(o=-1.9,f=-5.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 120:sc= -1.07 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.142 USER MOD Single : A 60 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.65) USER MOD Single : A 62 GLN : amide:sc= -0.873 K(o=-0.87,f=-7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 45:sc= 0.872 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.688 -5.554 4.940 1.00 0.00 N ATOM 2 CA MET A 1 -12.668 -4.857 6.214 1.00 0.00 C ATOM 3 C MET A 1 -11.848 -3.568 6.122 1.00 0.00 C ATOM 4 O MET A 1 -11.406 -3.186 5.040 1.00 0.00 O ATOM 5 CB MET A 1 -12.068 -5.768 7.287 1.00 0.00 C ATOM 6 CG MET A 1 -10.698 -6.296 6.853 1.00 0.00 C ATOM 7 SD MET A 1 -10.212 -7.661 7.894 1.00 0.00 S ATOM 8 CE MET A 1 -10.830 -9.026 6.924 1.00 0.00 C ATOM 0 H1 MET A 1 -13.071 -6.512 5.074 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.287 -5.033 4.269 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.721 -5.617 4.564 1.00 0.00 H new ATOM 0 HA MET A 1 -13.693 -4.596 6.479 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.970 -5.218 8.223 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.741 -6.604 7.477 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.736 -6.617 5.812 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.956 -5.500 6.914 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.609 -9.964 7.434 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.908 -8.926 6.800 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.351 -9.023 5.945 1.00 0.00 H new ATOM 18 N GLN A 2 -11.671 -2.933 7.272 1.00 0.00 N ATOM 19 CA GLN A 2 -10.912 -1.696 7.334 1.00 0.00 C ATOM 20 C GLN A 2 -9.429 -1.994 7.565 1.00 0.00 C ATOM 21 O GLN A 2 -9.084 -2.986 8.205 1.00 0.00 O ATOM 22 CB GLN A 2 -11.462 -0.770 8.421 1.00 0.00 C ATOM 23 CG GLN A 2 -10.615 0.499 8.540 1.00 0.00 C ATOM 24 CD GLN A 2 -11.394 1.615 9.238 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.462 1.693 10.454 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.977 2.471 8.404 1.00 0.00 N ATOM 0 H GLN A 2 -12.040 -3.252 8.168 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.014 -1.181 6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.493 -0.503 8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.476 -1.293 9.377 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.705 0.282 9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.309 0.830 7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.880 2.347 7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.521 3.251 8.772 1.00 0.00 H new ATOM 35 N ILE A 3 -8.592 -1.116 7.032 1.00 0.00 N ATOM 36 CA ILE A 3 -7.154 -1.272 7.172 1.00 0.00 C ATOM 37 C ILE A 3 -6.521 0.093 7.445 1.00 0.00 C ATOM 38 O ILE A 3 -7.135 1.128 7.190 1.00 0.00 O ATOM 39 CB ILE A 3 -6.572 -1.988 5.951 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.381 -1.015 4.785 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.430 -3.192 5.558 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.682 -0.271 4.475 1.00 0.00 C ATOM 0 H ILE A 3 -8.882 -0.294 6.502 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.921 -1.907 8.026 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.587 -2.370 6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.597 -0.298 5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.050 -1.561 3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.993 -3.682 4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.470 -3.897 6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.439 -2.857 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.520 0.414 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.457 -0.989 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.997 0.293 5.353 1.00 0.00 H new ATOM 54 N PHE A 4 -5.301 0.052 7.961 1.00 0.00 N ATOM 55 CA PHE A 4 -4.578 1.274 8.271 1.00 0.00 C ATOM 56 C PHE A 4 -3.285 1.365 7.461 1.00 0.00 C ATOM 57 O PHE A 4 -2.295 0.712 7.788 1.00 0.00 O ATOM 58 CB PHE A 4 -4.231 1.221 9.761 1.00 0.00 C ATOM 59 CG PHE A 4 -5.395 1.586 10.684 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.559 0.887 10.621 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.264 2.612 11.569 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.639 1.228 11.479 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.344 2.952 12.426 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.509 2.252 12.363 1.00 0.00 C ATOM 0 H PHE A 4 -4.795 -0.808 8.172 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.190 2.142 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.886 0.217 10.008 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.400 1.900 9.955 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.663 0.073 9.919 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.339 3.167 11.619 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.564 0.673 11.429 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.241 3.766 13.128 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.330 2.510 13.015 1.00 0.00 H new ATOM 74 N VAL A 5 -3.333 2.183 6.419 1.00 0.00 N ATOM 75 CA VAL A 5 -2.177 2.369 5.559 1.00 0.00 C ATOM 76 C VAL A 5 -1.327 3.521 6.099 1.00 0.00 C ATOM 77 O VAL A 5 -1.854 4.465 6.686 1.00 0.00 O ATOM 78 CB VAL A 5 -2.629 2.586 4.114 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.821 4.075 3.816 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.643 1.952 3.130 1.00 0.00 C ATOM 0 H VAL A 5 -4.155 2.724 6.151 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.553 1.475 5.559 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.593 2.093 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.142 4.201 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.579 4.485 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.879 4.601 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.988 2.121 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.659 2.403 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.579 0.880 3.319 1.00 0.00 H new ATOM 90 N LYS A 6 -0.025 3.407 5.880 1.00 0.00 N ATOM 91 CA LYS A 6 0.904 4.427 6.335 1.00 0.00 C ATOM 92 C LYS A 6 1.401 5.233 5.133 1.00 0.00 C ATOM 93 O LYS A 6 1.437 4.724 4.014 1.00 0.00 O ATOM 94 CB LYS A 6 2.027 3.798 7.161 1.00 0.00 C ATOM 95 CG LYS A 6 2.085 4.408 8.564 1.00 0.00 C ATOM 96 CD LYS A 6 1.464 3.466 9.598 1.00 0.00 C ATOM 97 CE LYS A 6 2.389 3.287 10.802 1.00 0.00 C ATOM 98 NZ LYS A 6 2.859 1.887 10.892 1.00 0.00 N ATOM 0 H LYS A 6 0.409 2.623 5.393 1.00 0.00 H new ATOM 0 HA LYS A 6 0.403 5.128 7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.870 2.722 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.982 3.947 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.121 4.615 8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.557 5.361 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.505 3.864 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.266 2.497 9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.243 3.958 10.715 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.862 3.559 11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.486 1.784 11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.042 1.253 10.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.380 1.639 10.027 1.00 0.00 H new ATOM 112 N THR A 7 1.772 6.475 5.407 1.00 0.00 N ATOM 113 CA THR A 7 2.265 7.355 4.361 1.00 0.00 C ATOM 114 C THR A 7 3.793 7.430 4.404 1.00 0.00 C ATOM 115 O THR A 7 4.412 6.989 5.371 1.00 0.00 O ATOM 116 CB THR A 7 1.585 8.715 4.528 1.00 0.00 C ATOM 117 OG1 THR A 7 0.246 8.392 4.894 1.00 0.00 O ATOM 118 CG2 THR A 7 1.438 9.464 3.203 1.00 0.00 C ATOM 0 H THR A 7 1.741 6.893 6.337 1.00 0.00 H new ATOM 0 HA THR A 7 2.017 6.971 3.371 1.00 0.00 H new ATOM 0 HB THR A 7 2.159 9.323 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.054 7.613 4.381 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.949 10.422 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.424 9.633 2.770 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.836 8.871 2.515 1.00 0.00 H new ATOM 126 N LEU A 8 4.356 7.992 3.345 1.00 0.00 N ATOM 127 CA LEU A 8 5.799 8.132 3.250 1.00 0.00 C ATOM 128 C LEU A 8 6.291 9.069 4.355 1.00 0.00 C ATOM 129 O LEU A 8 7.479 9.091 4.671 1.00 0.00 O ATOM 130 CB LEU A 8 6.203 8.574 1.843 1.00 0.00 C ATOM 131 CG LEU A 8 5.803 9.997 1.446 1.00 0.00 C ATOM 132 CD1 LEU A 8 6.595 11.032 2.248 1.00 0.00 C ATOM 133 CD2 LEU A 8 5.949 10.207 -0.062 1.00 0.00 C ATOM 0 H LEU A 8 3.839 8.356 2.545 1.00 0.00 H new ATOM 0 HA LEU A 8 6.286 7.170 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.285 8.483 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.764 7.881 1.126 1.00 0.00 H new ATOM 0 HG LEU A 8 4.750 10.137 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.292 12.035 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.397 10.897 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.660 10.902 2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.658 11.226 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.986 10.042 -0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.307 9.503 -0.591 1.00 0.00 H new ATOM 145 N THR A 9 5.352 9.819 4.911 1.00 0.00 N ATOM 146 CA THR A 9 5.675 10.756 5.973 1.00 0.00 C ATOM 147 C THR A 9 5.347 10.149 7.338 1.00 0.00 C ATOM 148 O THR A 9 5.444 10.824 8.362 1.00 0.00 O ATOM 149 CB THR A 9 4.929 12.063 5.695 1.00 0.00 C ATOM 150 OG1 THR A 9 5.226 12.880 6.824 1.00 0.00 O ATOM 151 CG2 THR A 9 3.409 11.893 5.747 1.00 0.00 C ATOM 0 H THR A 9 4.367 9.797 4.646 1.00 0.00 H new ATOM 0 HA THR A 9 6.743 10.973 5.996 1.00 0.00 H new ATOM 0 HB THR A 9 5.218 12.444 4.715 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.683 12.343 7.505 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.929 12.850 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.099 11.164 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.116 11.544 6.737 1.00 0.00 H new ATOM 159 N GLY A 10 4.965 8.881 7.309 1.00 0.00 N ATOM 160 CA GLY A 10 4.622 8.174 8.531 1.00 0.00 C ATOM 161 C GLY A 10 3.226 8.570 9.021 1.00 0.00 C ATOM 162 O GLY A 10 2.923 8.452 10.207 1.00 0.00 O ATOM 0 H GLY A 10 4.885 8.325 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.658 7.099 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.359 8.396 9.303 1.00 0.00 H new ATOM 166 N LYS A 11 2.414 9.033 8.082 1.00 0.00 N ATOM 167 CA LYS A 11 1.059 9.447 8.402 1.00 0.00 C ATOM 168 C LYS A 11 0.152 8.216 8.450 1.00 0.00 C ATOM 169 O LYS A 11 0.443 7.201 7.819 1.00 0.00 O ATOM 170 CB LYS A 11 0.584 10.524 7.424 1.00 0.00 C ATOM 171 CG LYS A 11 0.548 11.899 8.097 1.00 0.00 C ATOM 172 CD LYS A 11 -0.541 11.957 9.169 1.00 0.00 C ATOM 173 CE LYS A 11 -0.762 13.392 9.649 1.00 0.00 C ATOM 174 NZ LYS A 11 -2.198 13.637 9.908 1.00 0.00 N ATOM 0 H LYS A 11 2.669 9.130 7.099 1.00 0.00 H new ATOM 0 HA LYS A 11 1.024 9.907 9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.249 10.555 6.561 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.409 10.271 7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.518 12.113 8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.367 12.670 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.472 11.556 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.260 11.327 10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.187 13.570 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.397 14.093 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.330 14.616 10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.739 13.487 9.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.536 12.981 10.641 1.00 0.00 H new ATOM 188 N THR A 12 -0.928 8.347 9.205 1.00 0.00 N ATOM 189 CA THR A 12 -1.880 7.257 9.344 1.00 0.00 C ATOM 190 C THR A 12 -3.129 7.530 8.503 1.00 0.00 C ATOM 191 O THR A 12 -3.837 8.509 8.735 1.00 0.00 O ATOM 192 CB THR A 12 -2.179 7.077 10.834 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.967 6.552 11.369 1.00 0.00 O ATOM 194 CG2 THR A 12 -3.209 5.977 11.096 1.00 0.00 C ATOM 0 H THR A 12 -1.166 9.190 9.727 1.00 0.00 H new ATOM 0 HA THR A 12 -1.468 6.322 8.965 1.00 0.00 H new ATOM 0 HB THR A 12 -2.540 8.018 11.248 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.071 6.406 12.333 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.384 5.891 12.168 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.144 6.227 10.594 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.834 5.028 10.712 1.00 0.00 H new ATOM 202 N ILE A 13 -3.362 6.645 7.544 1.00 0.00 N ATOM 203 CA ILE A 13 -4.513 6.778 6.668 1.00 0.00 C ATOM 204 C ILE A 13 -5.333 5.487 6.710 1.00 0.00 C ATOM 205 O ILE A 13 -4.887 4.449 6.224 1.00 0.00 O ATOM 206 CB ILE A 13 -4.071 7.180 5.259 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.673 8.656 5.210 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.149 6.841 4.228 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.251 8.860 5.737 1.00 0.00 C ATOM 0 H ILE A 13 -2.773 5.834 7.355 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.164 7.581 7.014 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.186 6.600 5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.740 9.020 4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.372 9.245 5.804 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.809 7.137 3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.340 5.768 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.067 7.376 4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.994 9.918 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.193 8.517 6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.551 8.290 5.126 1.00 0.00 H new ATOM 221 N THR A 14 -6.516 5.594 7.296 1.00 0.00 N ATOM 222 CA THR A 14 -7.401 4.447 7.408 1.00 0.00 C ATOM 223 C THR A 14 -8.414 4.441 6.262 1.00 0.00 C ATOM 224 O THR A 14 -8.939 5.489 5.886 1.00 0.00 O ATOM 225 CB THR A 14 -8.051 4.486 8.793 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.002 4.910 9.658 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.417 3.092 9.307 1.00 0.00 C ATOM 0 H THR A 14 -6.882 6.457 7.698 1.00 0.00 H new ATOM 0 HA THR A 14 -6.849 3.511 7.317 1.00 0.00 H new ATOM 0 HB THR A 14 -8.946 5.106 8.756 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.807 4.202 10.307 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.875 3.176 10.293 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.121 2.624 8.619 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.517 2.482 9.376 1.00 0.00 H new ATOM 235 N LEU A 15 -8.659 3.250 5.737 1.00 0.00 N ATOM 236 CA LEU A 15 -9.601 3.094 4.640 1.00 0.00 C ATOM 237 C LEU A 15 -10.455 1.847 4.880 1.00 0.00 C ATOM 238 O LEU A 15 -9.932 0.792 5.239 1.00 0.00 O ATOM 239 CB LEU A 15 -8.864 3.086 3.300 1.00 0.00 C ATOM 240 CG LEU A 15 -9.686 3.509 2.081 1.00 0.00 C ATOM 241 CD1 LEU A 15 -9.359 4.947 1.672 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.496 2.526 0.923 1.00 0.00 C ATOM 0 H LEU A 15 -8.222 2.383 6.050 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.282 3.944 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.001 3.747 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.481 2.081 3.124 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.741 3.484 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.957 5.223 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.587 5.621 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.301 5.023 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.091 2.850 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.444 2.495 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.818 1.532 1.233 1.00 0.00 H new ATOM 254 N GLU A 16 -11.753 2.009 4.672 1.00 0.00 N ATOM 255 CA GLU A 16 -12.683 0.909 4.861 1.00 0.00 C ATOM 256 C GLU A 16 -12.969 0.219 3.525 1.00 0.00 C ATOM 257 O GLU A 16 -13.596 0.803 2.643 1.00 0.00 O ATOM 258 CB GLU A 16 -13.978 1.394 5.515 1.00 0.00 C ATOM 259 CG GLU A 16 -14.466 2.693 4.871 1.00 0.00 C ATOM 260 CD GLU A 16 -14.064 3.906 5.712 1.00 0.00 C ATOM 261 OE1 GLU A 16 -12.859 4.238 5.690 1.00 0.00 O ATOM 262 OE2 GLU A 16 -14.971 4.475 6.357 1.00 0.00 O ATOM 0 H GLU A 16 -12.183 2.885 4.375 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.225 0.182 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.746 0.627 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.814 1.552 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.048 2.786 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.550 2.664 4.762 1.00 0.00 H new ATOM 269 N VAL A 17 -12.494 -1.013 3.418 1.00 0.00 N ATOM 270 CA VAL A 17 -12.690 -1.788 2.206 1.00 0.00 C ATOM 271 C VAL A 17 -13.245 -3.167 2.570 1.00 0.00 C ATOM 272 O VAL A 17 -13.400 -3.485 3.748 1.00 0.00 O ATOM 273 CB VAL A 17 -11.383 -1.860 1.413 1.00 0.00 C ATOM 274 CG1 VAL A 17 -10.928 -0.466 0.979 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.292 -2.567 2.219 1.00 0.00 C ATOM 0 H VAL A 17 -11.973 -1.494 4.152 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.421 -1.304 1.559 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.568 -2.447 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.997 -0.546 0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.694 -0.013 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.768 0.155 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.374 -2.605 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.110 -2.019 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.614 -3.581 2.455 1.00 0.00 H new ATOM 285 N GLU A 18 -13.529 -3.947 1.538 1.00 0.00 N ATOM 286 CA GLU A 18 -14.064 -5.284 1.735 1.00 0.00 C ATOM 287 C GLU A 18 -12.999 -6.333 1.411 1.00 0.00 C ATOM 288 O GLU A 18 -12.016 -6.038 0.732 1.00 0.00 O ATOM 289 CB GLU A 18 -15.322 -5.501 0.892 1.00 0.00 C ATOM 290 CG GLU A 18 -16.582 -5.403 1.754 1.00 0.00 C ATOM 291 CD GLU A 18 -17.666 -6.359 1.249 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.379 -7.575 1.216 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.756 -5.851 0.910 1.00 0.00 O ATOM 0 H GLU A 18 -13.399 -3.679 0.562 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.346 -5.391 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.363 -4.758 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.279 -6.479 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.338 -5.638 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.958 -4.380 1.740 1.00 0.00 H new ATOM 300 N PRO A 19 -13.236 -7.570 1.925 1.00 0.00 N ATOM 301 CA PRO A 19 -12.309 -8.666 1.698 1.00 0.00 C ATOM 302 C PRO A 19 -12.430 -9.198 0.269 1.00 0.00 C ATOM 303 O PRO A 19 -11.566 -9.942 -0.195 1.00 0.00 O ATOM 304 CB PRO A 19 -12.661 -9.703 2.751 1.00 0.00 C ATOM 305 CG PRO A 19 -14.064 -9.357 3.225 1.00 0.00 C ATOM 306 CD PRO A 19 -14.389 -7.957 2.733 1.00 0.00 C ATOM 0 HA PRO A 19 -11.266 -8.362 1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.627 -10.710 2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.952 -9.676 3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.786 -10.075 2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.122 -9.403 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.306 -7.947 2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.538 -7.269 3.566 1.00 0.00 H new ATOM 314 N SER A 20 -13.508 -8.799 -0.389 1.00 0.00 N ATOM 315 CA SER A 20 -13.752 -9.227 -1.755 1.00 0.00 C ATOM 316 C SER A 20 -13.108 -8.245 -2.735 1.00 0.00 C ATOM 317 O SER A 20 -12.782 -8.612 -3.863 1.00 0.00 O ATOM 318 CB SER A 20 -15.252 -9.347 -2.035 1.00 0.00 C ATOM 319 OG SER A 20 -15.879 -8.071 -2.138 1.00 0.00 O ATOM 0 H SER A 20 -14.223 -8.183 -0.001 1.00 0.00 H new ATOM 0 HA SER A 20 -13.304 -10.211 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.405 -9.902 -2.961 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.725 -9.920 -1.238 1.00 0.00 H new ATOM 0 HG SER A 20 -16.835 -8.190 -2.319 1.00 0.00 H new ATOM 325 N ASP A 21 -12.941 -7.016 -2.269 1.00 0.00 N ATOM 326 CA ASP A 21 -12.341 -5.979 -3.089 1.00 0.00 C ATOM 327 C ASP A 21 -10.873 -6.325 -3.348 1.00 0.00 C ATOM 328 O ASP A 21 -10.187 -6.834 -2.464 1.00 0.00 O ATOM 329 CB ASP A 21 -12.388 -4.621 -2.384 1.00 0.00 C ATOM 330 CG ASP A 21 -13.712 -4.300 -1.689 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.696 -5.016 -1.982 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.713 -3.348 -0.879 1.00 0.00 O ATOM 0 H ASP A 21 -13.211 -6.715 -1.333 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.902 -5.921 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.588 -4.585 -1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.181 -3.841 -3.116 1.00 0.00 H new ATOM 337 N THR A 22 -10.436 -6.036 -4.565 1.00 0.00 N ATOM 338 CA THR A 22 -9.062 -6.310 -4.951 1.00 0.00 C ATOM 339 C THR A 22 -8.153 -5.145 -4.555 1.00 0.00 C ATOM 340 O THR A 22 -8.628 -4.119 -4.072 1.00 0.00 O ATOM 341 CB THR A 22 -9.044 -6.612 -6.451 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.313 -5.353 -7.062 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.216 -7.495 -6.884 1.00 0.00 C ATOM 0 H THR A 22 -11.009 -5.615 -5.296 1.00 0.00 H new ATOM 0 HA THR A 22 -8.670 -7.180 -4.424 1.00 0.00 H new ATOM 0 HB THR A 22 -8.105 -7.101 -6.712 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.778 -5.495 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.156 -7.679 -7.957 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.173 -8.444 -6.350 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.155 -6.992 -6.654 1.00 0.00 H new ATOM 351 N ILE A 23 -6.861 -5.343 -4.774 1.00 0.00 N ATOM 352 CA ILE A 23 -5.881 -4.320 -4.446 1.00 0.00 C ATOM 353 C ILE A 23 -6.189 -3.051 -5.243 1.00 0.00 C ATOM 354 O ILE A 23 -6.217 -1.955 -4.685 1.00 0.00 O ATOM 355 CB ILE A 23 -4.463 -4.852 -4.657 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.133 -5.954 -3.648 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.440 -3.714 -4.618 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.306 -5.453 -2.213 1.00 0.00 C ATOM 0 H ILE A 23 -6.470 -6.196 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.943 -4.055 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.411 -5.300 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.782 -6.813 -3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.108 -6.294 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.440 -4.119 -4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.665 -2.995 -5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.486 -3.216 -3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.065 -6.256 -1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.638 -4.609 -2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.338 -5.137 -2.060 1.00 0.00 H new ATOM 370 N GLU A 24 -6.410 -3.241 -6.535 1.00 0.00 N ATOM 371 CA GLU A 24 -6.714 -2.125 -7.414 1.00 0.00 C ATOM 372 C GLU A 24 -7.941 -1.366 -6.904 1.00 0.00 C ATOM 373 O GLU A 24 -8.060 -0.160 -7.114 1.00 0.00 O ATOM 374 CB GLU A 24 -6.925 -2.602 -8.853 1.00 0.00 C ATOM 375 CG GLU A 24 -8.074 -3.608 -8.935 1.00 0.00 C ATOM 376 CD GLU A 24 -8.878 -3.418 -10.223 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.241 -3.087 -11.246 1.00 0.00 O ATOM 378 OE2 GLU A 24 -10.111 -3.608 -10.155 1.00 0.00 O ATOM 0 H GLU A 24 -6.385 -4.151 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.863 -1.444 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.139 -1.748 -9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.009 -3.060 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.677 -4.623 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.729 -3.488 -8.072 1.00 0.00 H new ATOM 385 N ASN A 25 -8.821 -2.104 -6.244 1.00 0.00 N ATOM 386 CA ASN A 25 -10.034 -1.515 -5.702 1.00 0.00 C ATOM 387 C ASN A 25 -9.676 -0.632 -4.505 1.00 0.00 C ATOM 388 O ASN A 25 -10.146 0.500 -4.401 1.00 0.00 O ATOM 389 CB ASN A 25 -11.003 -2.596 -5.219 1.00 0.00 C ATOM 390 CG ASN A 25 -12.455 -2.181 -5.467 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.084 -2.578 -6.434 1.00 0.00 O ATOM 392 ND2 ASN A 25 -12.949 -1.363 -4.542 1.00 0.00 N ATOM 0 H ASN A 25 -8.719 -3.104 -6.072 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.508 -0.933 -6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.795 -3.533 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.850 -2.778 -4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -13.910 -1.029 -4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.367 -1.070 -3.757 1.00 0.00 H new ATOM 399 N VAL A 26 -8.848 -1.183 -3.630 1.00 0.00 N ATOM 400 CA VAL A 26 -8.421 -0.460 -2.443 1.00 0.00 C ATOM 401 C VAL A 26 -7.609 0.767 -2.865 1.00 0.00 C ATOM 402 O VAL A 26 -7.714 1.826 -2.248 1.00 0.00 O ATOM 403 CB VAL A 26 -7.651 -1.395 -1.510 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.354 -0.712 -0.173 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.411 -2.706 -1.298 1.00 0.00 C ATOM 0 H VAL A 26 -8.461 -2.122 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.284 -0.102 -1.881 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.699 -1.632 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.806 -1.398 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.754 0.181 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.291 -0.432 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.842 -3.353 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.384 -2.495 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.549 -3.206 -2.257 1.00 0.00 H new ATOM 415 N LYS A 27 -6.818 0.582 -3.911 1.00 0.00 N ATOM 416 CA LYS A 27 -5.988 1.661 -4.421 1.00 0.00 C ATOM 417 C LYS A 27 -6.884 2.763 -4.989 1.00 0.00 C ATOM 418 O LYS A 27 -6.717 3.936 -4.658 1.00 0.00 O ATOM 419 CB LYS A 27 -4.965 1.122 -5.424 1.00 0.00 C ATOM 420 CG LYS A 27 -3.719 0.599 -4.708 1.00 0.00 C ATOM 421 CD LYS A 27 -2.580 0.350 -5.700 1.00 0.00 C ATOM 422 CE LYS A 27 -2.970 -0.717 -6.725 1.00 0.00 C ATOM 423 NZ LYS A 27 -2.994 -0.142 -8.088 1.00 0.00 N ATOM 0 H LYS A 27 -6.734 -0.298 -4.419 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.405 2.107 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.414 0.321 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.684 1.911 -6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.399 1.319 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.958 -0.326 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.330 1.279 -6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.687 0.033 -5.162 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.261 -1.544 -6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.950 -1.125 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.966 -0.163 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.657 0.841 -8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.375 -0.700 -8.711 1.00 0.00 H new ATOM 437 N ALA A 28 -7.816 2.348 -5.834 1.00 0.00 N ATOM 438 CA ALA A 28 -8.739 3.285 -6.451 1.00 0.00 C ATOM 439 C ALA A 28 -9.503 4.035 -5.358 1.00 0.00 C ATOM 440 O ALA A 28 -9.834 5.209 -5.521 1.00 0.00 O ATOM 441 CB ALA A 28 -9.671 2.533 -7.402 1.00 0.00 C ATOM 0 H ALA A 28 -7.952 1.374 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.198 4.024 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.363 3.236 -7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.082 2.042 -8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.233 1.784 -6.844 1.00 0.00 H new ATOM 447 N LYS A 29 -9.763 3.327 -4.269 1.00 0.00 N ATOM 448 CA LYS A 29 -10.482 3.911 -3.150 1.00 0.00 C ATOM 449 C LYS A 29 -9.620 5.000 -2.508 1.00 0.00 C ATOM 450 O LYS A 29 -10.109 6.089 -2.210 1.00 0.00 O ATOM 451 CB LYS A 29 -10.926 2.822 -2.171 1.00 0.00 C ATOM 452 CG LYS A 29 -12.323 2.307 -2.521 1.00 0.00 C ATOM 453 CD LYS A 29 -12.875 1.416 -1.406 1.00 0.00 C ATOM 454 CE LYS A 29 -14.348 1.727 -1.134 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.069 0.501 -0.728 1.00 0.00 N ATOM 0 H LYS A 29 -9.488 2.353 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.398 4.390 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.214 1.997 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.924 3.218 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.995 3.150 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.284 1.745 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.767 0.368 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.294 1.565 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.428 2.480 -0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.808 2.148 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.067 0.729 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.008 -0.206 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.640 0.116 0.138 1.00 0.00 H new ATOM 469 N ILE A 30 -8.351 4.669 -2.313 1.00 0.00 N ATOM 470 CA ILE A 30 -7.417 5.605 -1.712 1.00 0.00 C ATOM 471 C ILE A 30 -7.285 6.835 -2.611 1.00 0.00 C ATOM 472 O ILE A 30 -7.110 7.950 -2.123 1.00 0.00 O ATOM 473 CB ILE A 30 -6.084 4.914 -1.415 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.276 3.747 -0.445 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.049 5.919 -0.903 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.160 2.712 -0.605 1.00 0.00 C ATOM 0 H ILE A 30 -7.949 3.765 -2.561 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.792 5.953 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.699 4.499 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.288 4.119 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.242 3.276 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.111 5.403 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.884 6.688 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.414 6.383 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.320 1.893 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.167 2.324 -1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.197 3.181 -0.401 1.00 0.00 H new ATOM 488 N GLN A 31 -7.374 6.592 -3.910 1.00 0.00 N ATOM 489 CA GLN A 31 -7.267 7.666 -4.883 1.00 0.00 C ATOM 490 C GLN A 31 -8.449 8.628 -4.745 1.00 0.00 C ATOM 491 O GLN A 31 -8.262 9.806 -4.444 1.00 0.00 O ATOM 492 CB GLN A 31 -7.175 7.111 -6.305 1.00 0.00 C ATOM 493 CG GLN A 31 -7.006 8.240 -7.325 1.00 0.00 C ATOM 494 CD GLN A 31 -7.424 7.783 -8.723 1.00 0.00 C ATOM 495 OE1 GLN A 31 -8.594 7.747 -9.069 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.407 7.436 -9.507 1.00 0.00 N ATOM 0 H GLN A 31 -7.519 5.666 -4.312 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.349 8.219 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.333 6.422 -6.377 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.074 6.540 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.606 9.099 -7.025 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.967 8.568 -7.341 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.451 7.489 -9.156 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.583 7.117 -10.460 1.00 0.00 H new ATOM 505 N ASP A 32 -9.638 8.088 -4.968 1.00 0.00 N ATOM 506 CA ASP A 32 -10.850 8.885 -4.872 1.00 0.00 C ATOM 507 C ASP A 32 -10.862 9.627 -3.535 1.00 0.00 C ATOM 508 O ASP A 32 -11.443 10.707 -3.425 1.00 0.00 O ATOM 509 CB ASP A 32 -12.096 7.999 -4.932 1.00 0.00 C ATOM 510 CG ASP A 32 -13.173 8.464 -5.915 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.065 9.623 -6.368 1.00 0.00 O ATOM 512 OD2 ASP A 32 -14.079 7.648 -6.190 1.00 0.00 O ATOM 0 H ASP A 32 -9.788 7.110 -5.215 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.863 9.583 -5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.792 6.988 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.534 7.945 -3.935 1.00 0.00 H new ATOM 517 N LYS A 33 -10.213 9.021 -2.551 1.00 0.00 N ATOM 518 CA LYS A 33 -10.143 9.612 -1.226 1.00 0.00 C ATOM 519 C LYS A 33 -9.162 10.786 -1.248 1.00 0.00 C ATOM 520 O LYS A 33 -9.576 11.945 -1.269 1.00 0.00 O ATOM 521 CB LYS A 33 -9.803 8.546 -0.182 1.00 0.00 C ATOM 522 CG LYS A 33 -10.612 8.757 1.100 1.00 0.00 C ATOM 523 CD LYS A 33 -11.817 7.814 1.150 1.00 0.00 C ATOM 524 CE LYS A 33 -12.559 7.944 2.481 1.00 0.00 C ATOM 525 NZ LYS A 33 -13.917 8.493 2.265 1.00 0.00 N ATOM 0 H LYS A 33 -9.731 8.127 -2.645 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.114 10.012 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.009 7.556 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.738 8.582 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.976 8.586 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.953 9.791 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.495 8.041 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.484 6.785 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.627 6.969 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.000 8.594 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.408 8.575 3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.846 9.432 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.453 7.858 1.640 1.00 0.00 H new ATOM 539 N GLU A 34 -7.882 10.447 -1.240 1.00 0.00 N ATOM 540 CA GLU A 34 -6.839 11.459 -1.259 1.00 0.00 C ATOM 541 C GLU A 34 -6.632 11.981 -2.682 1.00 0.00 C ATOM 542 O GLU A 34 -6.769 13.177 -2.934 1.00 0.00 O ATOM 543 CB GLU A 34 -5.533 10.910 -0.679 1.00 0.00 C ATOM 544 CG GLU A 34 -5.525 11.013 0.847 1.00 0.00 C ATOM 545 CD GLU A 34 -4.109 11.262 1.372 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.388 10.257 1.556 1.00 0.00 O ATOM 547 OE2 GLU A 34 -3.780 12.450 1.578 1.00 0.00 O ATOM 0 H GLU A 34 -7.543 9.485 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.155 12.292 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.408 9.869 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.688 11.463 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.182 11.823 1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.921 10.094 1.279 1.00 0.00 H new ATOM 554 N GLY A 35 -6.303 11.058 -3.574 1.00 0.00 N ATOM 555 CA GLY A 35 -6.075 11.411 -4.966 1.00 0.00 C ATOM 556 C GLY A 35 -4.700 10.931 -5.434 1.00 0.00 C ATOM 557 O GLY A 35 -4.067 11.572 -6.272 1.00 0.00 O ATOM 0 H GLY A 35 -6.189 10.067 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.851 10.967 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.148 12.492 -5.088 1.00 0.00 H new ATOM 561 N ILE A 36 -4.279 9.806 -4.873 1.00 0.00 N ATOM 562 CA ILE A 36 -2.990 9.233 -5.224 1.00 0.00 C ATOM 563 C ILE A 36 -3.167 8.273 -6.402 1.00 0.00 C ATOM 564 O ILE A 36 -4.172 7.569 -6.488 1.00 0.00 O ATOM 565 CB ILE A 36 -2.339 8.589 -3.998 1.00 0.00 C ATOM 566 CG1 ILE A 36 -2.056 9.633 -2.916 1.00 0.00 C ATOM 567 CG2 ILE A 36 -1.081 7.812 -4.390 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.299 10.830 -3.494 1.00 0.00 C ATOM 0 H ILE A 36 -4.807 9.277 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.302 10.013 -5.549 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.041 7.871 -3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.995 9.970 -2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.472 9.182 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.638 7.364 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.344 7.027 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.363 8.491 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.111 11.557 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.350 10.493 -3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.896 11.294 -4.279 1.00 0.00 H new ATOM 580 N PRO A 37 -2.149 8.276 -7.303 1.00 0.00 N ATOM 581 CA PRO A 37 -2.183 7.414 -8.473 1.00 0.00 C ATOM 582 C PRO A 37 -1.888 5.961 -8.092 1.00 0.00 C ATOM 583 O PRO A 37 -1.122 5.702 -7.166 1.00 0.00 O ATOM 584 CB PRO A 37 -1.151 7.999 -9.423 1.00 0.00 C ATOM 585 CG PRO A 37 -0.254 8.882 -8.571 1.00 0.00 C ATOM 586 CD PRO A 37 -0.943 9.095 -7.234 1.00 0.00 C ATOM 0 HA PRO A 37 -3.166 7.382 -8.944 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.576 7.211 -9.908 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.631 8.576 -10.213 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.719 8.412 -8.428 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.078 9.837 -9.066 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.304 8.789 -6.406 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.187 10.146 -7.077 1.00 0.00 H new ATOM 594 N PRO A 38 -2.529 5.028 -8.846 1.00 0.00 N ATOM 595 CA PRO A 38 -2.343 3.609 -8.597 1.00 0.00 C ATOM 596 C PRO A 38 -0.981 3.136 -9.108 1.00 0.00 C ATOM 597 O PRO A 38 -0.384 2.223 -8.539 1.00 0.00 O ATOM 598 CB PRO A 38 -3.509 2.931 -9.299 1.00 0.00 C ATOM 599 CG PRO A 38 -4.040 3.944 -10.299 1.00 0.00 C ATOM 600 CD PRO A 38 -3.444 5.299 -9.951 1.00 0.00 C ATOM 0 HA PRO A 38 -2.338 3.365 -7.535 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.186 2.019 -9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.282 2.645 -8.585 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.768 3.657 -11.315 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.129 3.984 -10.260 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.919 5.731 -10.803 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.218 6.009 -9.659 1.00 0.00 H new ATOM 608 N ASP A 39 -0.529 3.778 -10.175 1.00 0.00 N ATOM 609 CA ASP A 39 0.751 3.435 -10.769 1.00 0.00 C ATOM 610 C ASP A 39 1.877 3.842 -9.815 1.00 0.00 C ATOM 611 O ASP A 39 2.876 3.137 -9.690 1.00 0.00 O ATOM 612 CB ASP A 39 0.962 4.175 -12.091 1.00 0.00 C ATOM 613 CG ASP A 39 -0.240 4.164 -13.037 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.361 4.393 -12.533 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.012 3.927 -14.242 1.00 0.00 O ATOM 0 H ASP A 39 -1.027 4.535 -10.644 1.00 0.00 H new ATOM 0 HA ASP A 39 0.760 2.361 -10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.224 5.210 -11.873 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.815 3.732 -12.606 1.00 0.00 H new ATOM 620 N GLN A 40 1.675 4.980 -9.165 1.00 0.00 N ATOM 621 CA GLN A 40 2.660 5.490 -8.226 1.00 0.00 C ATOM 622 C GLN A 40 2.359 4.983 -6.814 1.00 0.00 C ATOM 623 O GLN A 40 2.981 5.422 -5.848 1.00 0.00 O ATOM 624 CB GLN A 40 2.711 7.018 -8.261 1.00 0.00 C ATOM 625 CG GLN A 40 4.154 7.521 -8.188 1.00 0.00 C ATOM 626 CD GLN A 40 4.844 7.409 -9.548 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.876 6.361 -10.173 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.391 8.545 -9.973 1.00 0.00 N ATOM 0 H GLN A 40 0.844 5.562 -9.270 1.00 0.00 H new ATOM 0 HA GLN A 40 3.642 5.120 -8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.242 7.380 -9.176 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.138 7.424 -7.427 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.164 8.559 -7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.707 6.943 -7.447 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.328 9.387 -9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.873 8.574 -10.871 1.00 0.00 H new ATOM 637 N GLN A 41 1.407 4.066 -6.740 1.00 0.00 N ATOM 638 CA GLN A 41 1.015 3.495 -5.462 1.00 0.00 C ATOM 639 C GLN A 41 1.793 2.204 -5.198 1.00 0.00 C ATOM 640 O GLN A 41 1.886 1.341 -6.069 1.00 0.00 O ATOM 641 CB GLN A 41 -0.494 3.246 -5.411 1.00 0.00 C ATOM 642 CG GLN A 41 -1.098 3.803 -4.120 1.00 0.00 C ATOM 643 CD GLN A 41 -2.415 4.529 -4.400 1.00 0.00 C ATOM 644 OE1 GLN A 41 -2.735 4.877 -5.525 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.159 4.737 -3.317 1.00 0.00 N ATOM 0 H GLN A 41 0.895 3.703 -7.544 1.00 0.00 H new ATOM 0 HA GLN A 41 1.258 4.211 -4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.973 3.713 -6.272 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.692 2.176 -5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.270 2.990 -3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.393 4.489 -3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.832 4.420 -2.405 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.057 5.214 -3.399 1.00 0.00 H new ATOM 654 N ARG A 42 2.332 2.112 -3.991 1.00 0.00 N ATOM 655 CA ARG A 42 3.099 0.941 -3.600 1.00 0.00 C ATOM 656 C ARG A 42 2.672 0.466 -2.210 1.00 0.00 C ATOM 657 O ARG A 42 3.109 1.017 -1.201 1.00 0.00 O ATOM 658 CB ARG A 42 4.598 1.243 -3.590 1.00 0.00 C ATOM 659 CG ARG A 42 5.401 0.053 -4.121 1.00 0.00 C ATOM 660 CD ARG A 42 6.234 -0.588 -3.009 1.00 0.00 C ATOM 661 NE ARG A 42 7.597 -0.012 -3.002 1.00 0.00 N ATOM 662 CZ ARG A 42 8.502 -0.211 -3.970 1.00 0.00 C ATOM 663 NH1 ARG A 42 8.193 -0.973 -5.028 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.714 0.351 -3.879 1.00 0.00 N ATOM 0 H ARG A 42 2.253 2.830 -3.271 1.00 0.00 H new ATOM 0 HA ARG A 42 2.903 0.157 -4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.799 2.123 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.918 1.479 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.723 -0.688 -4.545 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.057 0.383 -4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.756 -0.423 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.287 -1.666 -3.158 1.00 0.00 H new ATOM 0 HE ARG A 42 7.864 0.573 -2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.270 -1.401 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.881 -1.125 -5.765 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.948 0.930 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.403 0.200 -4.616 1.00 0.00 H new ATOM 678 N LEU A 43 1.823 -0.551 -2.202 1.00 0.00 N ATOM 679 CA LEU A 43 1.332 -1.105 -0.951 1.00 0.00 C ATOM 680 C LEU A 43 2.154 -2.345 -0.591 1.00 0.00 C ATOM 681 O LEU A 43 2.160 -3.327 -1.331 1.00 0.00 O ATOM 682 CB LEU A 43 -0.172 -1.369 -1.037 1.00 0.00 C ATOM 683 CG LEU A 43 -0.992 -0.335 -1.811 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.488 -0.640 -1.718 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.667 1.085 -1.343 1.00 0.00 C ATOM 0 H LEU A 43 1.463 -1.006 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 43 1.461 -0.389 -0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.324 -2.344 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.568 -1.433 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.715 -0.399 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.048 0.110 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.685 -1.627 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.799 -0.621 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.264 1.800 -1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.897 1.180 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.392 1.288 -1.504 1.00 0.00 H new ATOM 697 N ILE A 44 2.828 -2.258 0.546 1.00 0.00 N ATOM 698 CA ILE A 44 3.652 -3.360 1.014 1.00 0.00 C ATOM 699 C ILE A 44 2.960 -4.041 2.197 1.00 0.00 C ATOM 700 O ILE A 44 2.337 -3.378 3.023 1.00 0.00 O ATOM 701 CB ILE A 44 5.068 -2.875 1.326 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.851 -2.606 0.040 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.795 -3.861 2.244 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.988 -1.611 0.288 1.00 0.00 C ATOM 0 H ILE A 44 2.821 -1.441 1.157 1.00 0.00 H new ATOM 0 HA ILE A 44 3.763 -4.112 0.233 1.00 0.00 H new ATOM 0 HB ILE A 44 4.995 -1.929 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.259 -3.541 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.179 -2.213 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.800 -3.493 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.245 -3.960 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.858 -4.834 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.529 -1.437 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.575 -0.669 0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.671 -2.017 1.034 1.00 0.00 H new ATOM 716 N PHE A 45 3.094 -5.359 2.240 1.00 0.00 N ATOM 717 CA PHE A 45 2.489 -6.138 3.308 1.00 0.00 C ATOM 718 C PHE A 45 3.297 -7.407 3.585 1.00 0.00 C ATOM 719 O PHE A 45 3.365 -8.300 2.741 1.00 0.00 O ATOM 720 CB PHE A 45 1.088 -6.532 2.836 1.00 0.00 C ATOM 721 CG PHE A 45 0.078 -6.713 3.972 1.00 0.00 C ATOM 722 CD1 PHE A 45 -0.206 -5.674 4.801 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.537 -7.912 4.149 1.00 0.00 C ATOM 724 CE1 PHE A 45 -1.143 -5.842 5.855 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.475 -8.081 5.202 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.757 -7.042 6.033 1.00 0.00 C ATOM 0 H PHE A 45 3.612 -5.907 1.553 1.00 0.00 H new ATOM 0 HA PHE A 45 2.458 -5.551 4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.718 -5.768 2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.154 -7.461 2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.281 -4.721 4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.312 -8.737 3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.368 -5.017 6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.964 -9.034 5.343 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.469 -7.170 6.835 1.00 0.00 H new ATOM 736 N ALA A 46 3.888 -7.448 4.769 1.00 0.00 N ATOM 737 CA ALA A 46 4.688 -8.594 5.167 1.00 0.00 C ATOM 738 C ALA A 46 5.768 -8.847 4.115 1.00 0.00 C ATOM 739 O ALA A 46 6.047 -9.995 3.770 1.00 0.00 O ATOM 740 CB ALA A 46 3.777 -9.806 5.373 1.00 0.00 C ATOM 0 H ALA A 46 3.829 -6.706 5.466 1.00 0.00 H new ATOM 0 HA ALA A 46 5.191 -8.401 6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.377 -10.666 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.047 -9.585 6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.257 -10.032 4.442 1.00 0.00 H new ATOM 746 N GLY A 47 6.347 -7.758 3.632 1.00 0.00 N ATOM 747 CA GLY A 47 7.391 -7.848 2.626 1.00 0.00 C ATOM 748 C GLY A 47 6.821 -8.323 1.287 1.00 0.00 C ATOM 749 O GLY A 47 7.569 -8.569 0.342 1.00 0.00 O ATOM 0 H GLY A 47 6.113 -6.808 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.864 -6.874 2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.166 -8.538 2.961 1.00 0.00 H new ATOM 753 N LYS A 48 5.502 -8.437 1.248 1.00 0.00 N ATOM 754 CA LYS A 48 4.823 -8.878 0.042 1.00 0.00 C ATOM 755 C LYS A 48 4.167 -7.674 -0.638 1.00 0.00 C ATOM 756 O LYS A 48 3.356 -6.980 -0.029 1.00 0.00 O ATOM 757 CB LYS A 48 3.848 -10.013 0.360 1.00 0.00 C ATOM 758 CG LYS A 48 3.530 -10.830 -0.894 1.00 0.00 C ATOM 759 CD LYS A 48 3.136 -12.262 -0.530 1.00 0.00 C ATOM 760 CE LYS A 48 3.071 -13.148 -1.776 1.00 0.00 C ATOM 761 NZ LYS A 48 4.429 -13.582 -2.175 1.00 0.00 N ATOM 0 H LYS A 48 4.885 -8.231 2.033 1.00 0.00 H new ATOM 0 HA LYS A 48 5.538 -9.294 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.277 -10.663 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.927 -9.601 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.719 -10.355 -1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.398 -10.844 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.858 -12.673 0.175 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.167 -12.260 -0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.448 -14.020 -1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.602 -12.601 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.367 -14.182 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.013 -12.747 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.863 -14.122 -1.399 1.00 0.00 H new ATOM 775 N GLN A 49 4.543 -7.465 -1.890 1.00 0.00 N ATOM 776 CA GLN A 49 4.001 -6.358 -2.659 1.00 0.00 C ATOM 777 C GLN A 49 2.605 -6.706 -3.179 1.00 0.00 C ATOM 778 O GLN A 49 2.419 -7.732 -3.831 1.00 0.00 O ATOM 779 CB GLN A 49 4.936 -5.979 -3.811 1.00 0.00 C ATOM 780 CG GLN A 49 6.352 -5.709 -3.299 1.00 0.00 C ATOM 781 CD GLN A 49 7.390 -6.458 -4.139 1.00 0.00 C ATOM 782 OE1 GLN A 49 7.711 -7.608 -3.892 1.00 0.00 O ATOM 783 NE2 GLN A 49 7.894 -5.742 -5.140 1.00 0.00 N ATOM 0 H GLN A 49 5.217 -8.043 -2.392 1.00 0.00 H new ATOM 0 HA GLN A 49 3.918 -5.492 -2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.958 -6.783 -4.546 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.554 -5.093 -4.319 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.556 -4.639 -3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.431 -6.018 -2.257 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.580 -4.783 -5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.595 -6.152 -5.758 1.00 0.00 H new ATOM 792 N LEU A 50 1.658 -5.830 -2.871 1.00 0.00 N ATOM 793 CA LEU A 50 0.284 -6.033 -3.298 1.00 0.00 C ATOM 794 C LEU A 50 0.179 -5.768 -4.802 1.00 0.00 C ATOM 795 O LEU A 50 0.339 -4.633 -5.248 1.00 0.00 O ATOM 796 CB LEU A 50 -0.669 -5.183 -2.456 1.00 0.00 C ATOM 797 CG LEU A 50 -0.401 -5.168 -0.950 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.315 -4.167 -0.240 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.520 -6.574 -0.357 1.00 0.00 C ATOM 0 H LEU A 50 1.816 -4.979 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.018 -7.067 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.629 -4.157 -2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.685 -5.541 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 50 0.625 -4.837 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.104 -4.176 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.137 -3.167 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.356 -4.443 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.325 -6.535 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.526 -6.957 -0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.206 -7.233 -0.834 1.00 0.00 H new ATOM 811 N GLU A 51 -0.090 -6.835 -5.541 1.00 0.00 N ATOM 812 CA GLU A 51 -0.219 -6.731 -6.984 1.00 0.00 C ATOM 813 C GLU A 51 -1.666 -6.416 -7.367 1.00 0.00 C ATOM 814 O GLU A 51 -2.566 -7.217 -7.120 1.00 0.00 O ATOM 815 CB GLU A 51 0.263 -8.011 -7.671 1.00 0.00 C ATOM 816 CG GLU A 51 1.664 -8.395 -7.192 1.00 0.00 C ATOM 817 CD GLU A 51 2.289 -9.446 -8.112 1.00 0.00 C ATOM 818 OE1 GLU A 51 2.757 -9.043 -9.199 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.284 -10.629 -7.708 1.00 0.00 O ATOM 0 H GLU A 51 -0.222 -7.775 -5.167 1.00 0.00 H new ATOM 0 HA GLU A 51 0.413 -5.912 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.432 -8.824 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.271 -7.868 -8.751 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.298 -7.509 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.611 -8.782 -6.175 1.00 0.00 H new ATOM 826 N ASP A 52 -1.847 -5.246 -7.963 1.00 0.00 N ATOM 827 CA ASP A 52 -3.169 -4.815 -8.381 1.00 0.00 C ATOM 828 C ASP A 52 -3.862 -5.959 -9.125 1.00 0.00 C ATOM 829 O ASP A 52 -3.511 -6.266 -10.263 1.00 0.00 O ATOM 830 CB ASP A 52 -3.083 -3.617 -9.330 1.00 0.00 C ATOM 831 CG ASP A 52 -2.025 -3.736 -10.427 1.00 0.00 C ATOM 832 OD1 ASP A 52 -0.828 -3.739 -10.064 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.435 -3.823 -11.606 1.00 0.00 O ATOM 0 H ASP A 52 -1.099 -4.583 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.729 -4.530 -7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.056 -3.474 -9.799 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.877 -2.722 -8.743 1.00 0.00 H new ATOM 838 N GLY A 53 -4.833 -6.557 -8.452 1.00 0.00 N ATOM 839 CA GLY A 53 -5.578 -7.660 -9.034 1.00 0.00 C ATOM 840 C GLY A 53 -5.827 -8.760 -8.001 1.00 0.00 C ATOM 841 O GLY A 53 -6.607 -9.681 -8.244 1.00 0.00 O ATOM 0 H GLY A 53 -5.121 -6.299 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.530 -7.296 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.026 -8.069 -9.880 1.00 0.00 H new ATOM 845 N ARG A 54 -5.150 -8.630 -6.870 1.00 0.00 N ATOM 846 CA ARG A 54 -5.287 -9.601 -5.799 1.00 0.00 C ATOM 847 C ARG A 54 -6.303 -9.112 -4.765 1.00 0.00 C ATOM 848 O ARG A 54 -6.514 -7.909 -4.618 1.00 0.00 O ATOM 849 CB ARG A 54 -3.946 -9.852 -5.107 1.00 0.00 C ATOM 850 CG ARG A 54 -3.053 -10.760 -5.955 1.00 0.00 C ATOM 851 CD ARG A 54 -3.309 -12.234 -5.634 1.00 0.00 C ATOM 852 NE ARG A 54 -2.887 -13.081 -6.773 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.728 -14.409 -6.704 1.00 0.00 C ATOM 854 NH1 ARG A 54 -2.955 -15.051 -5.550 1.00 0.00 N ATOM 855 NH2 ARG A 54 -2.342 -15.095 -7.788 1.00 0.00 N ATOM 0 H ARG A 54 -4.504 -7.866 -6.672 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.635 -10.535 -6.242 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.441 -8.902 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.116 -10.310 -4.133 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.241 -10.576 -7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.006 -10.521 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.762 -12.519 -4.736 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.367 -12.391 -5.426 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.706 -12.624 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.249 -14.528 -4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.834 -16.062 -5.497 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.169 -14.606 -8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.221 -16.106 -7.735 1.00 0.00 H new ATOM 869 N THR A 55 -6.906 -10.069 -4.075 1.00 0.00 N ATOM 870 CA THR A 55 -7.894 -9.750 -3.059 1.00 0.00 C ATOM 871 C THR A 55 -7.259 -9.784 -1.668 1.00 0.00 C ATOM 872 O THR A 55 -6.415 -10.634 -1.386 1.00 0.00 O ATOM 873 CB THR A 55 -9.064 -10.722 -3.216 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.440 -11.987 -3.427 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.859 -10.481 -4.502 1.00 0.00 C ATOM 0 H THR A 55 -6.729 -11.066 -4.200 1.00 0.00 H new ATOM 0 HA THR A 55 -8.275 -8.736 -3.183 1.00 0.00 H new ATOM 0 HB THR A 55 -9.728 -10.631 -2.356 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.709 -12.607 -2.717 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.678 -11.198 -4.563 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.263 -9.469 -4.496 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.203 -10.604 -5.364 1.00 0.00 H new ATOM 883 N LEU A 56 -7.689 -8.849 -0.833 1.00 0.00 N ATOM 884 CA LEU A 56 -7.173 -8.762 0.523 1.00 0.00 C ATOM 885 C LEU A 56 -7.390 -10.099 1.234 1.00 0.00 C ATOM 886 O LEU A 56 -6.568 -10.512 2.051 1.00 0.00 O ATOM 887 CB LEU A 56 -7.791 -7.568 1.254 1.00 0.00 C ATOM 888 CG LEU A 56 -7.702 -6.221 0.536 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.975 -5.401 0.749 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.449 -5.454 0.960 1.00 0.00 C ATOM 0 H LEU A 56 -8.389 -8.145 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.099 -8.579 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.842 -7.788 1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.306 -7.472 2.225 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.616 -6.410 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.885 -4.448 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.831 -5.950 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.117 -5.220 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.411 -4.500 0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.478 -5.275 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.563 -6.040 0.714 1.00 0.00 H new ATOM 902 N SER A 57 -8.501 -10.738 0.899 1.00 0.00 N ATOM 903 CA SER A 57 -8.836 -12.020 1.494 1.00 0.00 C ATOM 904 C SER A 57 -7.777 -13.061 1.126 1.00 0.00 C ATOM 905 O SER A 57 -7.373 -13.864 1.965 1.00 0.00 O ATOM 906 CB SER A 57 -10.221 -12.490 1.047 1.00 0.00 C ATOM 907 OG SER A 57 -10.498 -13.821 1.476 1.00 0.00 O ATOM 0 H SER A 57 -9.181 -10.391 0.222 1.00 0.00 H new ATOM 0 HA SER A 57 -8.856 -11.899 2.577 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.979 -11.816 1.446 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.288 -12.438 -0.040 1.00 0.00 H new ATOM 0 HG SER A 57 -11.392 -14.083 1.172 1.00 0.00 H new ATOM 913 N ASP A 58 -7.360 -13.015 -0.131 1.00 0.00 N ATOM 914 CA ASP A 58 -6.357 -13.945 -0.621 1.00 0.00 C ATOM 915 C ASP A 58 -5.040 -13.706 0.121 1.00 0.00 C ATOM 916 O ASP A 58 -4.157 -14.561 0.118 1.00 0.00 O ATOM 917 CB ASP A 58 -6.100 -13.741 -2.115 1.00 0.00 C ATOM 918 CG ASP A 58 -6.465 -14.933 -3.002 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.201 -16.071 -2.560 1.00 0.00 O ATOM 920 OD2 ASP A 58 -7.000 -14.678 -4.104 1.00 0.00 O ATOM 0 H ASP A 58 -7.699 -12.348 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.725 -14.957 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.665 -12.871 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.044 -13.510 -2.259 1.00 0.00 H new ATOM 925 N TYR A 59 -4.951 -12.537 0.740 1.00 0.00 N ATOM 926 CA TYR A 59 -3.757 -12.175 1.485 1.00 0.00 C ATOM 927 C TYR A 59 -3.947 -12.428 2.982 1.00 0.00 C ATOM 928 O TYR A 59 -2.981 -12.423 3.743 1.00 0.00 O ATOM 929 CB TYR A 59 -3.555 -10.675 1.254 1.00 0.00 C ATOM 930 CG TYR A 59 -2.921 -10.334 -0.095 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.746 -10.945 -0.480 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.525 -9.414 -0.928 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.148 -10.623 -1.750 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.928 -9.091 -2.198 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.769 -9.713 -2.546 1.00 0.00 C ATOM 936 OH TYR A 59 -1.205 -9.408 -3.746 1.00 0.00 O ATOM 0 H TYR A 59 -5.686 -11.829 0.741 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.904 -12.768 1.155 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.520 -10.173 1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.927 -10.276 2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.274 -11.666 0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.446 -8.936 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.228 -11.094 -2.063 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.389 -8.372 -2.859 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.714 -10.186 -4.084 1.00 0.00 H new ATOM 946 N ASN A 60 -5.199 -12.641 3.359 1.00 0.00 N ATOM 947 CA ASN A 60 -5.528 -12.895 4.752 1.00 0.00 C ATOM 948 C ASN A 60 -5.148 -11.674 5.592 1.00 0.00 C ATOM 949 O ASN A 60 -4.264 -11.755 6.444 1.00 0.00 O ATOM 950 CB ASN A 60 -4.755 -14.100 5.290 1.00 0.00 C ATOM 951 CG ASN A 60 -5.182 -14.431 6.720 1.00 0.00 C ATOM 952 OD1 ASN A 60 -4.497 -14.134 7.685 1.00 0.00 O ATOM 953 ND2 ASN A 60 -6.351 -15.062 6.805 1.00 0.00 N ATOM 0 H ASN A 60 -5.998 -12.643 2.725 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.597 -13.097 4.815 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.926 -14.963 4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.686 -13.891 5.265 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.723 -15.326 7.717 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.875 -15.281 5.958 1.00 0.00 H new ATOM 960 N ILE A 61 -5.832 -10.572 5.323 1.00 0.00 N ATOM 961 CA ILE A 61 -5.576 -9.338 6.044 1.00 0.00 C ATOM 962 C ILE A 61 -6.447 -9.295 7.300 1.00 0.00 C ATOM 963 O ILE A 61 -7.608 -9.703 7.269 1.00 0.00 O ATOM 964 CB ILE A 61 -5.766 -8.130 5.123 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.508 -7.872 4.290 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.191 -6.895 5.918 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.813 -7.962 2.793 1.00 0.00 C ATOM 0 H ILE A 61 -6.564 -10.508 4.615 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.538 -9.299 6.374 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.573 -8.356 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.108 -6.885 4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.739 -8.598 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.319 -6.052 5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.133 -7.097 6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.424 -6.655 6.655 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.902 -7.775 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.190 -8.957 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.565 -7.218 2.529 1.00 0.00 H new ATOM 979 N GLN A 62 -5.854 -8.798 8.376 1.00 0.00 N ATOM 980 CA GLN A 62 -6.562 -8.698 9.642 1.00 0.00 C ATOM 981 C GLN A 62 -7.178 -7.305 9.795 1.00 0.00 C ATOM 982 O GLN A 62 -6.670 -6.333 9.239 1.00 0.00 O ATOM 983 CB GLN A 62 -5.636 -9.021 10.815 1.00 0.00 C ATOM 984 CG GLN A 62 -4.619 -10.097 10.431 1.00 0.00 C ATOM 985 CD GLN A 62 -5.314 -11.426 10.130 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.244 -11.506 9.344 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.813 -12.462 10.797 1.00 0.00 N ATOM 0 H GLN A 62 -4.892 -8.460 8.397 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.367 -9.433 9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.114 -8.118 11.130 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.226 -9.361 11.666 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.053 -9.772 9.558 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.904 -10.232 11.242 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.033 -12.326 11.440 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.208 -13.393 10.665 1.00 0.00 H new ATOM 996 N LYS A 63 -8.263 -7.254 10.553 1.00 0.00 N ATOM 997 CA LYS A 63 -8.954 -5.997 10.788 1.00 0.00 C ATOM 998 C LYS A 63 -7.943 -4.942 11.240 1.00 0.00 C ATOM 999 O LYS A 63 -7.141 -5.189 12.138 1.00 0.00 O ATOM 1000 CB LYS A 63 -10.112 -6.197 11.767 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.658 -6.975 13.003 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.244 -8.388 13.007 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.157 -9.432 13.275 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.765 -10.742 13.600 1.00 0.00 N ATOM 0 H LYS A 63 -8.681 -8.063 11.013 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.406 -5.633 9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.509 -5.228 12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.922 -6.733 11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.570 -7.029 13.024 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.968 -6.446 13.904 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.020 -8.462 13.769 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.720 -8.591 12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.515 -9.530 12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.524 -9.103 14.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.014 -11.439 13.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.359 -10.648 14.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.350 -11.061 12.801 1.00 0.00 H new ATOM 1018 N GLU A 64 -8.014 -3.786 10.595 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.114 -2.693 10.918 1.00 0.00 C ATOM 1020 C GLU A 64 -5.659 -3.155 10.821 1.00 0.00 C ATOM 1021 O GLU A 64 -4.897 -3.024 11.778 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.417 -2.125 12.307 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.918 -1.887 12.486 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.462 -2.680 13.677 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.966 -2.431 14.797 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.360 -3.516 13.439 1.00 0.00 O ATOM 0 H GLU A 64 -8.681 -3.583 9.850 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.270 -1.895 10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.061 -2.815 13.072 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.877 -1.188 12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.106 -0.824 12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.447 -2.179 11.579 1.00 0.00 H new ATOM 1033 N SER A 65 -5.317 -3.684 9.656 1.00 0.00 N ATOM 1034 CA SER A 65 -3.966 -4.167 9.421 1.00 0.00 C ATOM 1035 C SER A 65 -3.018 -2.986 9.207 1.00 0.00 C ATOM 1036 O SER A 65 -3.461 -1.845 9.083 1.00 0.00 O ATOM 1037 CB SER A 65 -3.920 -5.110 8.218 1.00 0.00 C ATOM 1038 OG SER A 65 -4.181 -6.461 8.588 1.00 0.00 O ATOM 0 H SER A 65 -5.951 -3.789 8.864 1.00 0.00 H new ATOM 0 HA SER A 65 -3.645 -4.727 10.299 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.653 -4.789 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.940 -5.047 7.745 1.00 0.00 H new ATOM 0 HG SER A 65 -4.944 -6.490 9.202 1.00 0.00 H new ATOM 1044 N THR A 66 -1.731 -3.300 9.169 1.00 0.00 N ATOM 1045 CA THR A 66 -0.717 -2.277 8.972 1.00 0.00 C ATOM 1046 C THR A 66 -0.126 -2.378 7.564 1.00 0.00 C ATOM 1047 O THR A 66 0.725 -3.226 7.303 1.00 0.00 O ATOM 1048 CB THR A 66 0.326 -2.427 10.081 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.284 -1.818 11.216 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.574 -1.578 9.828 1.00 0.00 C ATOM 0 H THR A 66 -1.367 -4.247 9.271 1.00 0.00 H new ATOM 0 HA THR A 66 -1.144 -1.277 9.041 1.00 0.00 H new ATOM 0 HB THR A 66 0.612 -3.475 10.172 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.324 -1.872 11.983 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.283 -1.721 10.644 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.036 -1.882 8.889 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.293 -0.526 9.771 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.602 -1.499 6.694 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.131 -1.478 5.319 1.00 0.00 C ATOM 1060 C LEU A 67 0.745 -0.242 5.104 1.00 0.00 C ATOM 1061 O LEU A 67 0.509 0.804 5.708 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.309 -1.573 4.348 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.105 -2.880 4.385 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.211 -2.818 5.439 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.652 -3.228 2.999 1.00 0.00 C ATOM 0 H LEU A 67 -1.308 -0.797 6.914 1.00 0.00 H new ATOM 0 HA LEU A 67 0.491 -2.350 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.992 -0.749 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.932 -1.429 3.335 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.429 -3.684 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.761 -3.759 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.769 -2.650 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.892 -2.000 5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.213 -4.161 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.309 -2.429 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.824 -3.343 2.299 1.00 0.00 H new ATOM 1077 N HIS A 68 1.738 -0.402 4.241 1.00 0.00 N ATOM 1078 CA HIS A 68 2.649 0.688 3.938 1.00 0.00 C ATOM 1079 C HIS A 68 2.362 1.222 2.534 1.00 0.00 C ATOM 1080 O HIS A 68 2.529 0.507 1.546 1.00 0.00 O ATOM 1081 CB HIS A 68 4.102 0.246 4.118 1.00 0.00 C ATOM 1082 CG HIS A 68 5.024 1.342 4.596 1.00 0.00 C ATOM 1083 ND1 HIS A 68 5.360 2.433 3.814 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.674 1.505 5.784 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.177 3.210 4.508 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.371 2.634 5.729 1.00 0.00 N ATOM 0 H HIS A 68 1.931 -1.270 3.742 1.00 0.00 H new ATOM 0 HA HIS A 68 2.489 1.507 4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.134 -0.578 4.831 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.474 -0.139 3.168 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.629 0.830 6.626 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.613 4.137 4.167 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.955 3.009 6.477 1.00 0.00 H new ATOM 1094 N LEU A 69 1.934 2.475 2.488 1.00 0.00 N ATOM 1095 CA LEU A 69 1.621 3.114 1.221 1.00 0.00 C ATOM 1096 C LEU A 69 2.779 4.030 0.818 1.00 0.00 C ATOM 1097 O LEU A 69 2.836 5.186 1.235 1.00 0.00 O ATOM 1098 CB LEU A 69 0.271 3.829 1.301 1.00 0.00 C ATOM 1099 CG LEU A 69 0.059 4.974 0.308 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.268 4.499 -1.131 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.313 5.622 0.504 1.00 0.00 C ATOM 0 H LEU A 69 1.797 3.065 3.308 1.00 0.00 H new ATOM 0 HA LEU A 69 1.514 2.368 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.518 3.092 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.150 4.222 2.310 1.00 0.00 H new ATOM 0 HG LEU A 69 0.809 5.740 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.111 5.332 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.284 4.122 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.442 3.704 -1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.438 6.433 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.093 4.876 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.386 6.019 1.516 1.00 0.00 H new ATOM 1113 N VAL A 70 3.674 3.479 0.011 1.00 0.00 N ATOM 1114 CA VAL A 70 4.826 4.231 -0.453 1.00 0.00 C ATOM 1115 C VAL A 70 4.721 4.435 -1.966 1.00 0.00 C ATOM 1116 O VAL A 70 3.884 3.819 -2.622 1.00 0.00 O ATOM 1117 CB VAL A 70 6.117 3.524 -0.033 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.993 3.213 -1.249 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.886 4.352 0.998 1.00 0.00 C ATOM 0 H VAL A 70 3.624 2.520 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 70 4.848 5.219 0.008 1.00 0.00 H new ATOM 0 HB VAL A 70 5.843 2.578 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.904 2.711 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.447 2.565 -1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.253 4.142 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.799 3.827 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.142 5.321 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.266 4.500 1.882 1.00 0.00 H new ATOM 1129 N LEU A 71 5.584 5.302 -2.476 1.00 0.00 N ATOM 1130 CA LEU A 71 5.599 5.595 -3.899 1.00 0.00 C ATOM 1131 C LEU A 71 6.314 4.463 -4.640 1.00 0.00 C ATOM 1132 O LEU A 71 7.186 3.801 -4.078 1.00 0.00 O ATOM 1133 CB LEU A 71 6.203 6.977 -4.156 1.00 0.00 C ATOM 1134 CG LEU A 71 7.690 7.131 -3.828 1.00 0.00 C ATOM 1135 CD1 LEU A 71 8.441 7.793 -4.985 1.00 0.00 C ATOM 1136 CD2 LEU A 71 7.887 7.883 -2.511 1.00 0.00 C ATOM 0 H LEU A 71 6.278 5.811 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 71 4.582 5.640 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.055 7.226 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.645 7.710 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 71 8.115 6.136 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.495 7.891 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.343 7.180 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.021 8.781 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.953 7.978 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.442 8.875 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.407 7.332 -1.702 1.00 0.00 H new ATOM 1148 N ARG A 72 5.920 4.277 -5.891 1.00 0.00 N ATOM 1149 CA ARG A 72 6.512 3.238 -6.715 1.00 0.00 C ATOM 1150 C ARG A 72 7.818 3.734 -7.338 1.00 0.00 C ATOM 1151 O ARG A 72 8.106 4.930 -7.315 1.00 0.00 O ATOM 1152 CB ARG A 72 5.556 2.805 -7.829 1.00 0.00 C ATOM 1153 CG ARG A 72 4.859 1.490 -7.474 1.00 0.00 C ATOM 1154 CD ARG A 72 5.485 0.317 -8.232 1.00 0.00 C ATOM 1155 NE ARG A 72 4.562 -0.841 -8.222 1.00 0.00 N ATOM 1156 CZ ARG A 72 4.852 -2.036 -8.753 1.00 0.00 C ATOM 1157 NH1 ARG A 72 6.041 -2.239 -9.338 1.00 0.00 N ATOM 1158 NH2 ARG A 72 3.954 -3.029 -8.698 1.00 0.00 N ATOM 0 H ARG A 72 5.198 4.829 -6.354 1.00 0.00 H new ATOM 0 HA ARG A 72 6.714 2.381 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.810 3.582 -7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.108 2.688 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.931 1.314 -6.401 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.798 1.559 -7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.702 0.611 -9.259 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.434 0.041 -7.772 1.00 0.00 H new ATOM 0 HE ARG A 72 3.649 -0.721 -7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.725 -1.483 -9.379 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.262 -3.149 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.050 -2.875 -8.252 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.175 -3.939 -9.102 1.00 0.00 H new ATOM 1172 N LEU A 73 8.573 2.790 -7.882 1.00 0.00 N ATOM 1173 CA LEU A 73 9.842 3.118 -8.510 1.00 0.00 C ATOM 1174 C LEU A 73 9.585 3.664 -9.915 1.00 0.00 C ATOM 1175 O LEU A 73 9.834 4.838 -10.184 1.00 0.00 O ATOM 1176 CB LEU A 73 10.780 1.909 -8.483 1.00 0.00 C ATOM 1177 CG LEU A 73 12.164 2.148 -7.874 1.00 0.00 C ATOM 1178 CD1 LEU A 73 12.759 0.844 -7.337 1.00 0.00 C ATOM 1179 CD2 LEU A 73 13.095 2.832 -8.877 1.00 0.00 C ATOM 0 H LEU A 73 8.331 1.799 -7.901 1.00 0.00 H new ATOM 0 HA LEU A 73 10.352 3.903 -7.951 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.293 1.108 -7.926 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.911 1.553 -9.505 1.00 0.00 H new ATOM 0 HG LEU A 73 12.052 2.824 -7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.742 1.041 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.104 0.435 -6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.855 0.125 -8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.071 2.990 -8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.206 2.201 -9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.672 3.793 -9.169 1.00 0.00 H new ATOM 1191 N ARG A 74 9.088 2.787 -10.775 1.00 0.00 N ATOM 1192 CA ARG A 74 8.794 3.168 -12.147 1.00 0.00 C ATOM 1193 C ARG A 74 7.355 3.674 -12.260 1.00 0.00 C ATOM 1194 O ARG A 74 6.812 4.230 -11.306 1.00 0.00 O ATOM 1195 CB ARG A 74 8.987 1.987 -13.100 1.00 0.00 C ATOM 1196 CG ARG A 74 9.534 2.455 -14.450 1.00 0.00 C ATOM 1197 CD ARG A 74 10.872 1.783 -14.762 1.00 0.00 C ATOM 1198 NE ARG A 74 11.668 2.638 -15.670 1.00 0.00 N ATOM 1199 CZ ARG A 74 12.231 3.800 -15.308 1.00 0.00 C ATOM 1200 NH1 ARG A 74 12.088 4.251 -14.055 1.00 0.00 N ATOM 1201 NH2 ARG A 74 12.936 4.510 -16.200 1.00 0.00 N ATOM 0 H ARG A 74 8.881 1.814 -10.549 1.00 0.00 H new ATOM 0 HA ARG A 74 9.486 3.963 -12.426 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.673 1.265 -12.656 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.036 1.475 -13.247 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.815 2.225 -15.237 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.660 3.538 -14.440 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.424 1.606 -13.839 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.701 0.810 -15.222 1.00 0.00 H new ATOM 0 HE ARG A 74 11.797 2.324 -16.632 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.551 3.711 -13.377 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.516 5.135 -13.779 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.044 4.166 -17.154 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.364 5.394 -15.924 1.00 0.00 H new ATOM 1215 N GLY A 75 6.778 3.465 -13.434 1.00 0.00 N ATOM 1216 CA GLY A 75 5.412 3.894 -13.684 1.00 0.00 C ATOM 1217 C GLY A 75 4.582 2.758 -14.284 1.00 0.00 C ATOM 1218 O GLY A 75 4.243 1.799 -13.591 1.00 0.00 O ATOM 0 H GLY A 75 7.231 3.004 -14.223 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.956 4.230 -12.752 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.413 4.746 -14.363 1.00 0.00 H new ATOM 1222 N GLY A 76 4.278 2.903 -15.565 1.00 0.00 N ATOM 1223 CA GLY A 76 3.494 1.900 -16.267 1.00 0.00 C ATOM 1224 C GLY A 76 2.086 2.419 -16.570 1.00 0.00 C ATOM 1225 O GLY A 76 1.710 3.500 -16.121 1.00 0.00 O ATOM 0 H GLY A 76 4.560 3.700 -16.136 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.993 1.628 -17.197 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.430 0.995 -15.663 1.00 0.00 H new TER 1229 GLY A 76