USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 590 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 2 SER OG : rot -27:sc= 0.296 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -2.74 USER MOD Single : A 13 MET CE :methyl 142:sc= -0.0279 (180deg=-0.288) USER MOD Single : A 17 ASN : amide:sc= -2.02 K(o=-2,f=-0.6) USER MOD Single : A 18 SER OG : rot -153:sc= 0.905 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -5.84! C(o=-5.8!,f=-6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0646 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 172:sc= -5.16! (180deg=-5.45!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.189) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.636 USER MOD Single : A 68 LYS NZ :NH3+ -149:sc= -0.33 (180deg=-1.54!) USER MOD Single : A 73 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -4.552 14.629 -13.490 1.00 0.00 N ATOM 2 CA SER A 2 -3.788 13.456 -12.979 1.00 0.00 C ATOM 3 C SER A 2 -4.512 12.861 -11.770 1.00 0.00 C ATOM 4 O SER A 2 -5.515 13.378 -11.319 1.00 0.00 O ATOM 5 CB SER A 2 -2.388 13.906 -12.563 1.00 0.00 C ATOM 6 OG SER A 2 -2.492 15.054 -11.733 1.00 0.00 O ATOM 0 HA SER A 2 -3.712 12.702 -13.762 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.878 13.103 -12.031 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.789 14.134 -13.445 1.00 0.00 H new ATOM 0 HG SER A 2 -3.316 15.539 -11.947 1.00 0.00 H new ATOM 12 N ASP A 3 -4.013 11.777 -11.242 1.00 0.00 N ATOM 13 CA ASP A 3 -4.672 11.149 -10.062 1.00 0.00 C ATOM 14 C ASP A 3 -3.608 10.537 -9.146 1.00 0.00 C ATOM 15 O ASP A 3 -2.505 11.034 -9.041 1.00 0.00 O ATOM 16 CB ASP A 3 -5.628 10.053 -10.536 1.00 0.00 C ATOM 17 CG ASP A 3 -6.870 10.037 -9.641 1.00 0.00 C ATOM 18 OD1 ASP A 3 -6.716 10.222 -8.446 1.00 0.00 O ATOM 19 OD2 ASP A 3 -7.952 9.838 -10.168 1.00 0.00 O ATOM 0 H ASP A 3 -3.177 11.299 -11.577 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.230 11.907 -9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.916 10.230 -11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.131 9.083 -10.504 1.00 0.00 H new ATOM 24 N LYS A 4 -3.932 9.461 -8.483 1.00 0.00 N ATOM 25 CA LYS A 4 -2.947 8.815 -7.574 1.00 0.00 C ATOM 26 C LYS A 4 -2.123 7.788 -8.367 1.00 0.00 C ATOM 27 O LYS A 4 -2.631 7.156 -9.271 1.00 0.00 O ATOM 28 CB LYS A 4 -3.705 8.115 -6.447 1.00 0.00 C ATOM 29 CG LYS A 4 -2.953 8.300 -5.127 1.00 0.00 C ATOM 30 CD LYS A 4 -3.927 8.772 -4.047 1.00 0.00 C ATOM 31 CE LYS A 4 -5.114 7.809 -3.972 1.00 0.00 C ATOM 32 NZ LYS A 4 -5.886 8.066 -2.722 1.00 0.00 N ATOM 0 H LYS A 4 -4.841 9.001 -8.533 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.275 9.563 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.712 8.525 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.810 7.053 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.487 7.361 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.151 9.028 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.422 8.819 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.276 9.779 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.757 7.939 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.761 6.778 -3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.693 7.411 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.270 7.920 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.235 9.046 -2.725 1.00 0.00 H new ATOM 46 N PRO A 5 -0.871 7.662 -8.007 1.00 0.00 N ATOM 47 CA PRO A 5 0.061 6.730 -8.665 1.00 0.00 C ATOM 48 C PRO A 5 -0.172 5.288 -8.224 1.00 0.00 C ATOM 49 O PRO A 5 -0.831 5.021 -7.239 1.00 0.00 O ATOM 50 CB PRO A 5 1.432 7.211 -8.231 1.00 0.00 C ATOM 51 CG PRO A 5 1.215 8.013 -6.940 1.00 0.00 C ATOM 52 CD PRO A 5 -0.265 8.430 -6.910 1.00 0.00 C ATOM 0 HA PRO A 5 -0.065 6.725 -9.748 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.103 6.370 -8.059 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.889 7.831 -9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.463 7.411 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.863 8.889 -6.918 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.728 8.192 -5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.381 9.503 -7.062 1.00 0.00 H new ATOM 60 N LYS A 6 0.379 4.358 -8.951 1.00 0.00 N ATOM 61 CA LYS A 6 0.216 2.925 -8.589 1.00 0.00 C ATOM 62 C LYS A 6 1.016 2.634 -7.320 1.00 0.00 C ATOM 63 O LYS A 6 2.219 2.795 -7.282 1.00 0.00 O ATOM 64 CB LYS A 6 0.721 2.049 -9.725 1.00 0.00 C ATOM 65 CG LYS A 6 0.178 2.566 -11.059 1.00 0.00 C ATOM 66 CD LYS A 6 -1.351 2.565 -11.023 1.00 0.00 C ATOM 67 CE LYS A 6 -1.868 3.994 -11.194 1.00 0.00 C ATOM 68 NZ LYS A 6 -2.953 4.014 -12.216 1.00 0.00 N ATOM 0 H LYS A 6 0.939 4.531 -9.786 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.838 2.710 -8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.811 2.050 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.406 1.017 -9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.547 3.574 -11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.533 1.938 -11.876 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.743 1.928 -11.816 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.703 2.151 -10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.243 4.372 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.054 4.652 -11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.304 4.986 -12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.581 3.670 -13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.733 3.399 -11.907 1.00 0.00 H new ATOM 82 N ARG A 7 0.354 2.222 -6.274 1.00 0.00 N ATOM 83 CA ARG A 7 1.072 1.939 -5.000 1.00 0.00 C ATOM 84 C ARG A 7 1.930 0.674 -5.135 1.00 0.00 C ATOM 85 O ARG A 7 1.632 -0.199 -5.927 1.00 0.00 O ATOM 86 CB ARG A 7 0.051 1.741 -3.878 1.00 0.00 C ATOM 87 CG ARG A 7 -0.747 3.032 -3.684 1.00 0.00 C ATOM 88 CD ARG A 7 -0.259 3.752 -2.427 1.00 0.00 C ATOM 89 NE ARG A 7 -1.421 4.346 -1.711 1.00 0.00 N ATOM 90 CZ ARG A 7 -2.337 3.571 -1.198 1.00 0.00 C ATOM 91 NH1 ARG A 7 -3.368 3.214 -1.913 1.00 0.00 N ATOM 92 NH2 ARG A 7 -2.221 3.151 0.033 1.00 0.00 N ATOM 0 H ARG A 7 -0.654 2.069 -6.247 1.00 0.00 H new ATOM 0 HA ARG A 7 1.723 2.782 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.621 0.919 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.559 1.472 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.630 3.678 -4.554 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.809 2.805 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.265 3.053 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.453 4.532 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.501 5.359 -1.621 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.459 3.541 -2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.083 2.608 -1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.415 3.429 0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.937 2.545 0.435 1.00 0.00 H new ATOM 106 N PRO A 8 2.969 0.620 -4.337 1.00 0.00 N ATOM 107 CA PRO A 8 3.906 -0.518 -4.308 1.00 0.00 C ATOM 108 C PRO A 8 3.253 -1.722 -3.622 1.00 0.00 C ATOM 109 O PRO A 8 2.504 -1.579 -2.678 1.00 0.00 O ATOM 110 CB PRO A 8 5.091 0.013 -3.486 1.00 0.00 C ATOM 111 CG PRO A 8 4.537 1.183 -2.638 1.00 0.00 C ATOM 112 CD PRO A 8 3.299 1.698 -3.387 1.00 0.00 C ATOM 0 HA PRO A 8 4.205 -0.859 -5.299 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.504 -0.769 -2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.896 0.352 -4.138 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.275 0.848 -1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.282 1.971 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.473 1.891 -2.703 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.509 2.634 -3.905 1.00 0.00 H new ATOM 120 N LEU A 9 3.530 -2.908 -4.092 1.00 0.00 N ATOM 121 CA LEU A 9 2.921 -4.116 -3.464 1.00 0.00 C ATOM 122 C LEU A 9 3.993 -5.170 -3.200 1.00 0.00 C ATOM 123 O LEU A 9 5.160 -4.983 -3.482 1.00 0.00 O ATOM 124 CB LEU A 9 1.791 -4.663 -4.360 1.00 0.00 C ATOM 125 CG LEU A 9 2.253 -5.885 -5.150 1.00 0.00 C ATOM 126 CD1 LEU A 9 1.137 -6.323 -6.095 1.00 0.00 C ATOM 127 CD2 LEU A 9 3.495 -5.511 -5.948 1.00 0.00 C ATOM 0 H LEU A 9 4.149 -3.093 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 9 2.483 -3.844 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.932 -4.929 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.461 -3.885 -5.049 1.00 0.00 H new ATOM 0 HG LEU A 9 2.489 -6.706 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.462 -7.196 -6.662 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.249 -6.576 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.903 -5.510 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.836 -6.376 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.256 -4.697 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.283 -5.192 -5.266 1.00 0.00 H new ATOM 139 N SER A 10 3.591 -6.263 -2.637 1.00 0.00 N ATOM 140 CA SER A 10 4.559 -7.350 -2.309 1.00 0.00 C ATOM 141 C SER A 10 4.810 -8.240 -3.528 1.00 0.00 C ATOM 142 O SER A 10 4.002 -8.330 -4.436 1.00 0.00 O ATOM 143 CB SER A 10 3.995 -8.200 -1.172 1.00 0.00 C ATOM 144 OG SER A 10 5.064 -8.648 -0.348 1.00 0.00 O ATOM 0 H SER A 10 2.623 -6.460 -2.384 1.00 0.00 H new ATOM 0 HA SER A 10 5.504 -6.897 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.286 -7.617 -0.584 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.449 -9.053 -1.576 1.00 0.00 H new ATOM 0 HG SER A 10 4.707 -9.193 0.384 1.00 0.00 H new ATOM 150 N ALA A 11 5.934 -8.903 -3.544 1.00 0.00 N ATOM 151 CA ALA A 11 6.266 -9.798 -4.686 1.00 0.00 C ATOM 152 C ALA A 11 5.264 -10.951 -4.739 1.00 0.00 C ATOM 153 O ALA A 11 4.730 -11.274 -5.781 1.00 0.00 O ATOM 154 CB ALA A 11 7.678 -10.358 -4.502 1.00 0.00 C ATOM 0 H ALA A 11 6.641 -8.862 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 11 6.218 -9.232 -5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.921 -11.013 -5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.393 -9.536 -4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.727 -10.924 -3.572 1.00 0.00 H new ATOM 160 N TYR A 12 4.996 -11.573 -3.621 1.00 0.00 N ATOM 161 CA TYR A 12 4.026 -12.692 -3.614 1.00 0.00 C ATOM 162 C TYR A 12 2.738 -12.230 -4.290 1.00 0.00 C ATOM 163 O TYR A 12 1.968 -13.022 -4.798 1.00 0.00 O ATOM 164 CB TYR A 12 3.751 -13.083 -2.166 1.00 0.00 C ATOM 165 CG TYR A 12 2.517 -13.951 -2.095 1.00 0.00 C ATOM 166 CD1 TYR A 12 2.286 -14.917 -3.081 1.00 0.00 C ATOM 167 CD2 TYR A 12 1.609 -13.795 -1.041 1.00 0.00 C ATOM 168 CE1 TYR A 12 1.148 -15.727 -3.014 1.00 0.00 C ATOM 169 CE2 TYR A 12 0.469 -14.605 -0.975 1.00 0.00 C ATOM 170 CZ TYR A 12 0.238 -15.570 -1.962 1.00 0.00 C ATOM 171 OH TYR A 12 -0.884 -16.370 -1.896 1.00 0.00 O ATOM 0 H TYR A 12 5.410 -11.350 -2.716 1.00 0.00 H new ATOM 0 HA TYR A 12 4.422 -13.553 -4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 12 4.607 -13.618 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.613 -12.189 -1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.987 -15.037 -3.894 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.788 -13.050 -0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.971 -16.474 -3.774 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.232 -14.485 -0.162 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.409 -16.132 -1.104 1.00 0.00 H new ATOM 181 N MET A 13 2.502 -10.948 -4.304 1.00 0.00 N ATOM 182 CA MET A 13 1.276 -10.421 -4.949 1.00 0.00 C ATOM 183 C MET A 13 1.475 -10.397 -6.465 1.00 0.00 C ATOM 184 O MET A 13 0.604 -10.787 -7.217 1.00 0.00 O ATOM 185 CB MET A 13 1.022 -9.003 -4.446 1.00 0.00 C ATOM 186 CG MET A 13 1.322 -8.930 -2.948 1.00 0.00 C ATOM 187 SD MET A 13 -0.141 -8.327 -2.069 1.00 0.00 S ATOM 188 CE MET A 13 -1.176 -9.791 -2.319 1.00 0.00 C ATOM 0 H MET A 13 3.112 -10.241 -3.893 1.00 0.00 H new ATOM 0 HA MET A 13 0.424 -11.056 -4.705 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.650 -8.296 -4.988 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.013 -8.719 -4.634 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.604 -9.914 -2.574 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.167 -8.266 -2.767 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.764 -9.979 -1.421 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.846 -9.623 -3.163 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.542 -10.654 -2.525 1.00 0.00 H new ATOM 198 N LEU A 14 2.615 -9.946 -6.926 1.00 0.00 N ATOM 199 CA LEU A 14 2.842 -9.913 -8.402 1.00 0.00 C ATOM 200 C LEU A 14 2.542 -11.300 -8.970 1.00 0.00 C ATOM 201 O LEU A 14 1.752 -11.452 -9.879 1.00 0.00 O ATOM 202 CB LEU A 14 4.294 -9.533 -8.731 1.00 0.00 C ATOM 203 CG LEU A 14 4.695 -8.277 -7.944 1.00 0.00 C ATOM 204 CD1 LEU A 14 6.181 -7.964 -8.155 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.863 -7.099 -8.446 1.00 0.00 C ATOM 0 H LEU A 14 3.387 -9.604 -6.354 1.00 0.00 H new ATOM 0 HA LEU A 14 2.186 -9.163 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.961 -10.358 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.398 -9.352 -9.801 1.00 0.00 H new ATOM 0 HG LEU A 14 4.518 -8.448 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.448 -7.071 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.783 -8.805 -7.810 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.370 -7.793 -9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.137 -6.199 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.052 -6.946 -9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.805 -7.310 -8.293 1.00 0.00 H new ATOM 217 N TRP A 15 3.158 -12.313 -8.426 1.00 0.00 N ATOM 218 CA TRP A 15 2.899 -13.695 -8.918 1.00 0.00 C ATOM 219 C TRP A 15 1.410 -14.002 -8.756 1.00 0.00 C ATOM 220 O TRP A 15 0.790 -14.612 -9.604 1.00 0.00 O ATOM 221 CB TRP A 15 3.718 -14.686 -8.089 1.00 0.00 C ATOM 222 CG TRP A 15 3.327 -16.085 -8.442 1.00 0.00 C ATOM 223 CD1 TRP A 15 3.875 -16.817 -9.440 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.322 -16.935 -7.815 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.273 -18.061 -9.464 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.310 -18.183 -8.483 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.431 -16.747 -6.745 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.444 -19.207 -8.100 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.557 -17.777 -6.358 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.563 -19.005 -7.034 1.00 0.00 C ATOM 0 H TRP A 15 3.830 -12.243 -7.662 1.00 0.00 H new ATOM 0 HA TRP A 15 3.183 -13.780 -9.967 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.782 -14.538 -8.275 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.552 -14.509 -7.026 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.655 -16.484 -10.108 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.512 -18.799 -10.126 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.418 -15.805 -6.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.454 -20.151 -8.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.124 -17.621 -5.534 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.111 -19.793 -6.732 1.00 0.00 H new ATOM 241 N LEU A 16 0.836 -13.573 -7.666 1.00 0.00 N ATOM 242 CA LEU A 16 -0.613 -13.821 -7.428 1.00 0.00 C ATOM 243 C LEU A 16 -1.422 -13.309 -8.623 1.00 0.00 C ATOM 244 O LEU A 16 -2.422 -13.884 -9.001 1.00 0.00 O ATOM 245 CB LEU A 16 -1.047 -13.070 -6.167 1.00 0.00 C ATOM 246 CG LEU A 16 -1.890 -13.986 -5.282 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.195 -14.336 -6.000 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.110 -15.269 -4.987 1.00 0.00 C ATOM 0 H LEU A 16 1.312 -13.058 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.787 -14.890 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.170 -12.725 -5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.621 -12.184 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.118 -13.475 -4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.795 -14.990 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.752 -13.422 -6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.970 -14.846 -6.937 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.711 -15.923 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.881 -15.779 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.182 -15.020 -4.472 1.00 0.00 H new ATOM 260 N ASN A 17 -0.999 -12.224 -9.213 1.00 0.00 N ATOM 261 CA ASN A 17 -1.740 -11.664 -10.372 1.00 0.00 C ATOM 262 C ASN A 17 -1.338 -12.392 -11.656 1.00 0.00 C ATOM 263 O ASN A 17 -2.088 -12.446 -12.610 1.00 0.00 O ATOM 264 CB ASN A 17 -1.409 -10.189 -10.502 1.00 0.00 C ATOM 265 CG ASN A 17 -1.314 -9.556 -9.112 1.00 0.00 C ATOM 266 OD1 ASN A 17 -2.205 -9.710 -8.301 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.264 -8.844 -8.801 1.00 0.00 N ATOM 0 H ASN A 17 -0.167 -11.701 -8.938 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.811 -11.794 -10.214 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.466 -10.064 -11.034 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.176 -9.685 -11.090 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.192 -8.417 -7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.484 -8.715 -9.482 1.00 0.00 H new ATOM 274 N SER A 18 -0.158 -12.944 -11.694 1.00 0.00 N ATOM 275 CA SER A 18 0.290 -13.657 -12.922 1.00 0.00 C ATOM 276 C SER A 18 -0.161 -15.117 -12.871 1.00 0.00 C ATOM 277 O SER A 18 -0.004 -15.857 -13.823 1.00 0.00 O ATOM 278 CB SER A 18 1.810 -13.594 -13.015 1.00 0.00 C ATOM 279 OG SER A 18 2.366 -14.848 -12.640 1.00 0.00 O ATOM 0 H SER A 18 0.516 -12.932 -10.928 1.00 0.00 H new ATOM 0 HA SER A 18 -0.151 -13.180 -13.797 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.112 -13.341 -14.031 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.191 -12.807 -12.364 1.00 0.00 H new ATOM 0 HG SER A 18 3.268 -14.712 -12.281 1.00 0.00 H new ATOM 285 N ALA A 19 -0.714 -15.542 -11.770 1.00 0.00 N ATOM 286 CA ALA A 19 -1.166 -16.958 -11.667 1.00 0.00 C ATOM 287 C ALA A 19 -2.691 -17.020 -11.680 1.00 0.00 C ATOM 288 O ALA A 19 -3.270 -18.039 -11.985 1.00 0.00 O ATOM 289 CB ALA A 19 -0.655 -17.562 -10.360 1.00 0.00 C ATOM 0 H ALA A 19 -0.872 -14.972 -10.939 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.772 -17.519 -12.515 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.985 -18.598 -10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.434 -17.527 -10.344 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.049 -16.993 -9.518 1.00 0.00 H new ATOM 295 N ARG A 20 -3.350 -15.946 -11.342 1.00 0.00 N ATOM 296 CA ARG A 20 -4.841 -15.964 -11.326 1.00 0.00 C ATOM 297 C ARG A 20 -5.374 -16.343 -12.707 1.00 0.00 C ATOM 298 O ARG A 20 -6.455 -16.884 -12.836 1.00 0.00 O ATOM 299 CB ARG A 20 -5.368 -14.581 -10.932 1.00 0.00 C ATOM 300 CG ARG A 20 -5.638 -14.553 -9.426 1.00 0.00 C ATOM 301 CD ARG A 20 -6.012 -13.132 -8.996 1.00 0.00 C ATOM 302 NE ARG A 20 -7.366 -12.795 -9.519 1.00 0.00 N ATOM 303 CZ ARG A 20 -8.428 -13.061 -8.808 1.00 0.00 C ATOM 304 NH1 ARG A 20 -8.489 -12.688 -7.558 1.00 0.00 N ATOM 305 NH2 ARG A 20 -9.431 -13.695 -9.348 1.00 0.00 N ATOM 0 H ARG A 20 -2.922 -15.059 -11.077 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.181 -16.702 -10.599 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.641 -13.813 -11.197 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.283 -14.358 -11.481 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.445 -15.243 -9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.755 -14.887 -8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.001 -13.055 -7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.277 -12.421 -9.374 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.463 -12.356 -10.434 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.706 -12.188 -7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.319 -12.896 -7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.386 -13.983 -10.325 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.261 -13.903 -8.793 1.00 0.00 H new ATOM 319 N GLU A 21 -4.630 -16.072 -13.743 1.00 0.00 N ATOM 320 CA GLU A 21 -5.108 -16.429 -15.107 1.00 0.00 C ATOM 321 C GLU A 21 -4.874 -17.917 -15.347 1.00 0.00 C ATOM 322 O GLU A 21 -5.785 -18.657 -15.661 1.00 0.00 O ATOM 323 CB GLU A 21 -4.344 -15.611 -16.151 1.00 0.00 C ATOM 324 CG GLU A 21 -4.978 -14.226 -16.283 1.00 0.00 C ATOM 325 CD GLU A 21 -3.907 -13.154 -16.072 1.00 0.00 C ATOM 326 OE1 GLU A 21 -2.799 -13.353 -16.541 1.00 0.00 O ATOM 327 OE2 GLU A 21 -4.214 -12.152 -15.447 1.00 0.00 O ATOM 0 H GLU A 21 -3.716 -15.621 -13.705 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.172 -16.209 -15.191 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.298 -15.517 -15.859 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.362 -16.123 -17.113 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.431 -14.114 -17.268 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.776 -14.108 -15.550 1.00 0.00 H new ATOM 334 N SER A 22 -3.664 -18.367 -15.186 1.00 0.00 N ATOM 335 CA SER A 22 -3.383 -19.812 -15.390 1.00 0.00 C ATOM 336 C SER A 22 -3.976 -20.604 -14.222 1.00 0.00 C ATOM 337 O SER A 22 -3.942 -21.817 -14.200 1.00 0.00 O ATOM 338 CB SER A 22 -1.872 -20.041 -15.450 1.00 0.00 C ATOM 339 OG SER A 22 -1.303 -19.755 -14.180 1.00 0.00 O ATOM 0 H SER A 22 -2.859 -17.799 -14.923 1.00 0.00 H new ATOM 0 HA SER A 22 -3.831 -20.144 -16.327 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.660 -21.072 -15.732 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.426 -19.403 -16.213 1.00 0.00 H new ATOM 0 HG SER A 22 -0.335 -19.902 -14.215 1.00 0.00 H new ATOM 345 N ILE A 23 -4.529 -19.921 -13.254 1.00 0.00 N ATOM 346 CA ILE A 23 -5.134 -20.626 -12.096 1.00 0.00 C ATOM 347 C ILE A 23 -6.614 -20.859 -12.392 1.00 0.00 C ATOM 348 O ILE A 23 -7.132 -21.942 -12.204 1.00 0.00 O ATOM 349 CB ILE A 23 -4.978 -19.758 -10.836 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.621 -20.040 -10.190 1.00 0.00 C ATOM 351 CG2 ILE A 23 -6.086 -20.071 -9.824 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.499 -19.233 -8.897 1.00 0.00 C ATOM 0 H ILE A 23 -4.586 -18.903 -13.219 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.638 -21.582 -11.929 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.048 -18.710 -11.126 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.520 -21.105 -9.979 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.817 -19.774 -10.876 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.958 -19.447 -8.940 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.058 -19.868 -10.274 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.031 -21.121 -9.538 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.533 -19.432 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.581 -18.170 -9.123 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.296 -19.521 -8.212 1.00 0.00 H new ATOM 364 N LYS A 24 -7.301 -19.847 -12.842 1.00 0.00 N ATOM 365 CA LYS A 24 -8.740 -20.010 -13.133 1.00 0.00 C ATOM 366 C LYS A 24 -8.926 -20.856 -14.396 1.00 0.00 C ATOM 367 O LYS A 24 -10.003 -21.352 -14.666 1.00 0.00 O ATOM 368 CB LYS A 24 -9.339 -18.626 -13.348 1.00 0.00 C ATOM 369 CG LYS A 24 -9.676 -18.012 -11.993 1.00 0.00 C ATOM 370 CD LYS A 24 -11.015 -18.565 -11.499 1.00 0.00 C ATOM 371 CE LYS A 24 -12.054 -17.444 -11.477 1.00 0.00 C ATOM 372 NZ LYS A 24 -13.268 -17.873 -12.228 1.00 0.00 N ATOM 0 H LYS A 24 -6.923 -18.916 -13.019 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.236 -20.514 -12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.634 -17.990 -13.884 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.236 -18.696 -13.963 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.889 -18.239 -11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.728 -16.926 -12.077 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.350 -19.372 -12.151 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.900 -18.988 -10.501 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.318 -17.199 -10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.638 -16.540 -11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.974 -17.109 -12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.010 -18.086 -13.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.668 -18.724 -11.784 1.00 0.00 H new ATOM 386 N ARG A 25 -7.890 -21.021 -15.175 1.00 0.00 N ATOM 387 CA ARG A 25 -8.019 -21.829 -16.420 1.00 0.00 C ATOM 388 C ARG A 25 -7.781 -23.311 -16.104 1.00 0.00 C ATOM 389 O ARG A 25 -8.340 -24.185 -16.735 1.00 0.00 O ATOM 390 CB ARG A 25 -7.007 -21.324 -17.461 1.00 0.00 C ATOM 391 CG ARG A 25 -5.636 -21.978 -17.252 1.00 0.00 C ATOM 392 CD ARG A 25 -5.420 -23.076 -18.284 1.00 0.00 C ATOM 393 NE ARG A 25 -6.675 -23.858 -18.470 1.00 0.00 N ATOM 394 CZ ARG A 25 -6.621 -25.157 -18.584 1.00 0.00 C ATOM 395 NH1 ARG A 25 -5.966 -25.862 -17.702 1.00 0.00 N ATOM 396 NH2 ARG A 25 -7.220 -25.750 -19.579 1.00 0.00 N ATOM 0 H ARG A 25 -6.963 -20.632 -15.003 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.024 -21.723 -16.827 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.371 -21.545 -18.465 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.913 -20.241 -17.387 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.850 -21.228 -17.337 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.572 -22.395 -16.247 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.111 -22.638 -19.233 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.615 -23.736 -17.961 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.575 -23.379 -18.508 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.497 -25.398 -16.924 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.923 -26.877 -17.790 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.731 -25.199 -20.268 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.178 -26.765 -19.668 1.00 0.00 H new ATOM 410 N GLU A 26 -6.963 -23.602 -15.131 1.00 0.00 N ATOM 411 CA GLU A 26 -6.700 -25.024 -14.780 1.00 0.00 C ATOM 412 C GLU A 26 -7.626 -25.446 -13.636 1.00 0.00 C ATOM 413 O GLU A 26 -7.553 -26.553 -13.142 1.00 0.00 O ATOM 414 CB GLU A 26 -5.239 -25.185 -14.351 1.00 0.00 C ATOM 415 CG GLU A 26 -5.051 -24.636 -12.935 1.00 0.00 C ATOM 416 CD GLU A 26 -3.625 -24.928 -12.463 1.00 0.00 C ATOM 417 OE1 GLU A 26 -2.782 -25.177 -13.308 1.00 0.00 O ATOM 418 OE2 GLU A 26 -3.401 -24.898 -11.264 1.00 0.00 O ATOM 0 H GLU A 26 -6.465 -22.916 -14.564 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.889 -25.655 -15.649 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.955 -26.237 -14.384 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.586 -24.656 -15.046 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.238 -23.562 -12.921 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.771 -25.093 -12.257 1.00 0.00 H new ATOM 425 N ASN A 27 -8.498 -24.572 -13.215 1.00 0.00 N ATOM 426 CA ASN A 27 -9.428 -24.922 -12.107 1.00 0.00 C ATOM 427 C ASN A 27 -10.869 -24.818 -12.606 1.00 0.00 C ATOM 428 O ASN A 27 -11.162 -24.052 -13.503 1.00 0.00 O ATOM 429 CB ASN A 27 -9.222 -23.955 -10.940 1.00 0.00 C ATOM 430 CG ASN A 27 -7.773 -24.044 -10.455 1.00 0.00 C ATOM 431 OD1 ASN A 27 -7.146 -25.079 -10.566 1.00 0.00 O ATOM 432 ND2 ASN A 27 -7.212 -22.995 -9.917 1.00 0.00 N ATOM 0 H ASN A 27 -8.606 -23.630 -13.591 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.229 -25.940 -11.772 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.450 -22.936 -11.253 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.905 -24.199 -10.126 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.247 -23.044 -9.590 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.739 -22.126 -9.824 1.00 0.00 H new ATOM 439 N PRO A 28 -11.724 -25.603 -12.007 1.00 0.00 N ATOM 440 CA PRO A 28 -13.150 -25.641 -12.357 1.00 0.00 C ATOM 441 C PRO A 28 -13.881 -24.434 -11.777 1.00 0.00 C ATOM 442 O PRO A 28 -14.622 -24.555 -10.822 1.00 0.00 O ATOM 443 CB PRO A 28 -13.648 -26.926 -11.716 1.00 0.00 C ATOM 444 CG PRO A 28 -12.654 -27.261 -10.597 1.00 0.00 C ATOM 445 CD PRO A 28 -11.348 -26.522 -10.921 1.00 0.00 C ATOM 0 HA PRO A 28 -13.320 -25.612 -13.433 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.654 -26.797 -11.317 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.696 -27.732 -12.448 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.044 -26.948 -9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.485 -28.336 -10.540 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.968 -25.982 -10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.565 -27.212 -11.234 1.00 0.00 H new ATOM 453 N GLY A 29 -13.672 -23.267 -12.331 1.00 0.00 N ATOM 454 CA GLY A 29 -14.353 -22.062 -11.780 1.00 0.00 C ATOM 455 C GLY A 29 -14.237 -22.112 -10.258 1.00 0.00 C ATOM 456 O GLY A 29 -15.102 -21.657 -9.537 1.00 0.00 O ATOM 0 H GLY A 29 -13.065 -23.099 -13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.893 -21.153 -12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.400 -22.044 -12.082 1.00 0.00 H new ATOM 460 N ILE A 30 -13.167 -22.693 -9.780 1.00 0.00 N ATOM 461 CA ILE A 30 -12.950 -22.824 -8.318 1.00 0.00 C ATOM 462 C ILE A 30 -13.472 -21.586 -7.584 1.00 0.00 C ATOM 463 O ILE A 30 -13.468 -20.491 -8.111 1.00 0.00 O ATOM 464 CB ILE A 30 -11.460 -22.991 -8.077 1.00 0.00 C ATOM 465 CG1 ILE A 30 -11.186 -23.199 -6.586 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.760 -21.739 -8.559 1.00 0.00 C ATOM 467 CD1 ILE A 30 -9.733 -23.641 -6.397 1.00 0.00 C ATOM 0 H ILE A 30 -12.424 -23.088 -10.357 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.493 -23.689 -7.936 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.091 -23.862 -8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.372 -22.275 -6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.863 -23.951 -6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.687 -21.836 -8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.954 -21.600 -9.623 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.134 -20.877 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.533 -23.790 -5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.564 -24.575 -6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.065 -22.873 -6.787 1.00 0.00 H new ATOM 479 N LYS A 31 -13.929 -21.753 -6.372 1.00 0.00 N ATOM 480 CA LYS A 31 -14.459 -20.594 -5.604 1.00 0.00 C ATOM 481 C LYS A 31 -13.364 -19.542 -5.424 1.00 0.00 C ATOM 482 O LYS A 31 -12.188 -19.847 -5.441 1.00 0.00 O ATOM 483 CB LYS A 31 -14.932 -21.076 -4.236 1.00 0.00 C ATOM 484 CG LYS A 31 -15.816 -22.314 -4.403 1.00 0.00 C ATOM 485 CD LYS A 31 -16.874 -22.046 -5.475 1.00 0.00 C ATOM 486 CE LYS A 31 -17.760 -20.879 -5.037 1.00 0.00 C ATOM 487 NZ LYS A 31 -18.710 -20.536 -6.133 1.00 0.00 N ATOM 0 H LYS A 31 -13.957 -22.646 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.292 -20.149 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.074 -21.312 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.488 -20.285 -3.733 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.207 -23.173 -4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.297 -22.561 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -16.393 -21.815 -6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.481 -22.938 -5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.310 -21.145 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -17.144 -20.014 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.312 -19.742 -5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.176 -20.265 -6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.306 -21.361 -6.347 1.00 0.00 H new ATOM 501 N VAL A 32 -13.740 -18.304 -5.248 1.00 0.00 N ATOM 502 CA VAL A 32 -12.732 -17.238 -5.064 1.00 0.00 C ATOM 503 C VAL A 32 -12.040 -17.433 -3.708 1.00 0.00 C ATOM 504 O VAL A 32 -10.911 -17.026 -3.514 1.00 0.00 O ATOM 505 CB VAL A 32 -13.420 -15.867 -5.142 1.00 0.00 C ATOM 506 CG1 VAL A 32 -14.833 -15.976 -4.603 1.00 0.00 C ATOM 507 CG2 VAL A 32 -12.658 -14.851 -4.309 1.00 0.00 C ATOM 0 H VAL A 32 -14.710 -17.990 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.979 -17.288 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.439 -15.545 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.320 -15.002 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.394 -16.697 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.802 -16.307 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.155 -13.883 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.632 -15.179 -3.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.640 -14.761 -4.687 1.00 0.00 H new ATOM 517 N THR A 33 -12.703 -18.060 -2.774 1.00 0.00 N ATOM 518 CA THR A 33 -12.077 -18.284 -1.440 1.00 0.00 C ATOM 519 C THR A 33 -11.001 -19.367 -1.563 1.00 0.00 C ATOM 520 O THR A 33 -10.046 -19.397 -0.812 1.00 0.00 O ATOM 521 CB THR A 33 -13.145 -18.740 -0.442 1.00 0.00 C ATOM 522 OG1 THR A 33 -14.097 -19.556 -1.110 1.00 0.00 O ATOM 523 CG2 THR A 33 -13.849 -17.520 0.155 1.00 0.00 C ATOM 0 H THR A 33 -13.649 -18.426 -2.877 1.00 0.00 H new ATOM 0 HA THR A 33 -11.626 -17.356 -1.089 1.00 0.00 H new ATOM 0 HB THR A 33 -12.672 -19.309 0.358 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.780 -19.850 -0.472 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.608 -17.849 0.865 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.119 -16.894 0.669 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.322 -16.946 -0.642 1.00 0.00 H new ATOM 531 N GLU A 34 -11.148 -20.256 -2.508 1.00 0.00 N ATOM 532 CA GLU A 34 -10.136 -21.336 -2.685 1.00 0.00 C ATOM 533 C GLU A 34 -9.112 -20.906 -3.737 1.00 0.00 C ATOM 534 O GLU A 34 -8.068 -21.510 -3.885 1.00 0.00 O ATOM 535 CB GLU A 34 -10.832 -22.616 -3.153 1.00 0.00 C ATOM 536 CG GLU A 34 -11.778 -23.114 -2.059 1.00 0.00 C ATOM 537 CD GLU A 34 -11.698 -24.640 -1.971 1.00 0.00 C ATOM 538 OE1 GLU A 34 -11.562 -25.266 -3.010 1.00 0.00 O ATOM 539 OE2 GLU A 34 -11.772 -25.155 -0.868 1.00 0.00 O ATOM 0 H GLU A 34 -11.927 -20.281 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.632 -21.520 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.389 -22.425 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.091 -23.382 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.509 -22.669 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.800 -22.805 -2.279 1.00 0.00 H new ATOM 546 N VAL A 35 -9.405 -19.870 -4.472 1.00 0.00 N ATOM 547 CA VAL A 35 -8.454 -19.407 -5.518 1.00 0.00 C ATOM 548 C VAL A 35 -7.289 -18.662 -4.862 1.00 0.00 C ATOM 549 O VAL A 35 -6.180 -18.668 -5.355 1.00 0.00 O ATOM 550 CB VAL A 35 -9.183 -18.473 -6.479 1.00 0.00 C ATOM 551 CG1 VAL A 35 -8.170 -17.740 -7.360 1.00 0.00 C ATOM 552 CG2 VAL A 35 -10.121 -19.294 -7.363 1.00 0.00 C ATOM 0 H VAL A 35 -10.263 -19.324 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.066 -20.266 -6.065 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.756 -17.743 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.697 -17.075 -8.044 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.497 -17.156 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.593 -18.466 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.645 -18.631 -8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.542 -20.022 -7.930 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.847 -19.815 -6.738 1.00 0.00 H new ATOM 562 N ALA A 36 -7.534 -18.018 -3.753 1.00 0.00 N ATOM 563 CA ALA A 36 -6.442 -17.272 -3.070 1.00 0.00 C ATOM 564 C ALA A 36 -5.665 -18.222 -2.155 1.00 0.00 C ATOM 565 O ALA A 36 -4.486 -18.044 -1.919 1.00 0.00 O ATOM 566 CB ALA A 36 -7.043 -16.139 -2.235 1.00 0.00 C ATOM 0 H ALA A 36 -8.443 -17.977 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.766 -16.856 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.244 -15.592 -1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.594 -15.460 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.719 -16.556 -1.489 1.00 0.00 H new ATOM 572 N LYS A 37 -6.315 -19.226 -1.634 1.00 0.00 N ATOM 573 CA LYS A 37 -5.618 -20.181 -0.735 1.00 0.00 C ATOM 574 C LYS A 37 -4.526 -20.923 -1.517 1.00 0.00 C ATOM 575 O LYS A 37 -3.422 -21.101 -1.040 1.00 0.00 O ATOM 576 CB LYS A 37 -6.658 -21.146 -0.165 1.00 0.00 C ATOM 577 CG LYS A 37 -6.069 -22.543 0.056 1.00 0.00 C ATOM 578 CD LYS A 37 -7.204 -23.512 0.371 1.00 0.00 C ATOM 579 CE LYS A 37 -7.940 -23.861 -0.922 1.00 0.00 C ATOM 580 NZ LYS A 37 -8.191 -25.329 -0.973 1.00 0.00 N ATOM 0 H LYS A 37 -7.303 -19.425 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.132 -19.658 0.088 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.037 -20.757 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.506 -21.212 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.530 -22.870 -0.833 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.351 -22.524 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.808 -24.416 0.834 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.893 -23.063 1.086 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.884 -23.318 -0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.348 -23.553 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.692 -25.565 -1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.284 -25.837 -0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.772 -25.610 -0.158 1.00 0.00 H new ATOM 594 N ARG A 38 -4.826 -21.352 -2.711 1.00 0.00 N ATOM 595 CA ARG A 38 -3.806 -22.078 -3.520 1.00 0.00 C ATOM 596 C ARG A 38 -2.714 -21.101 -3.960 1.00 0.00 C ATOM 597 O ARG A 38 -1.641 -21.496 -4.369 1.00 0.00 O ATOM 598 CB ARG A 38 -4.473 -22.683 -4.757 1.00 0.00 C ATOM 599 CG ARG A 38 -4.322 -24.207 -4.728 1.00 0.00 C ATOM 600 CD ARG A 38 -2.836 -24.574 -4.713 1.00 0.00 C ATOM 601 NE ARG A 38 -2.448 -25.140 -6.038 1.00 0.00 N ATOM 602 CZ ARG A 38 -2.069 -26.387 -6.131 1.00 0.00 C ATOM 603 NH1 ARG A 38 -2.931 -27.348 -5.945 1.00 0.00 N ATOM 604 NH2 ARG A 38 -0.827 -26.673 -6.416 1.00 0.00 N ATOM 0 H ARG A 38 -5.733 -21.232 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.364 -22.872 -2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.529 -22.412 -4.783 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.018 -22.279 -5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.817 -24.615 -3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.807 -24.648 -5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.235 -23.692 -4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.638 -25.299 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.479 -24.553 -6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.902 -27.127 -5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.634 -28.321 -6.018 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.152 -25.923 -6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.532 -27.647 -6.488 1.00 0.00 H new ATOM 618 N GLY A 39 -2.981 -19.826 -3.882 1.00 0.00 N ATOM 619 CA GLY A 39 -1.961 -18.823 -4.300 1.00 0.00 C ATOM 620 C GLY A 39 -0.803 -18.809 -3.298 1.00 0.00 C ATOM 621 O GLY A 39 0.347 -18.690 -3.668 1.00 0.00 O ATOM 0 H GLY A 39 -3.862 -19.435 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.589 -19.063 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.414 -17.833 -4.359 1.00 0.00 H new ATOM 625 N GLY A 40 -1.097 -18.923 -2.030 1.00 0.00 N ATOM 626 CA GLY A 40 -0.009 -18.910 -1.009 1.00 0.00 C ATOM 627 C GLY A 40 0.735 -20.249 -1.017 1.00 0.00 C ATOM 628 O GLY A 40 1.727 -20.422 -0.336 1.00 0.00 O ATOM 0 H GLY A 40 -2.041 -19.024 -1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.687 -18.097 -1.218 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.429 -18.724 -0.021 1.00 0.00 H new ATOM 632 N GLU A 41 0.263 -21.200 -1.776 1.00 0.00 N ATOM 633 CA GLU A 41 0.936 -22.525 -1.820 1.00 0.00 C ATOM 634 C GLU A 41 1.950 -22.567 -2.965 1.00 0.00 C ATOM 635 O GLU A 41 3.135 -22.729 -2.750 1.00 0.00 O ATOM 636 CB GLU A 41 -0.110 -23.606 -2.031 1.00 0.00 C ATOM 637 CG GLU A 41 -1.337 -23.303 -1.170 1.00 0.00 C ATOM 638 CD GLU A 41 -2.096 -24.600 -0.889 1.00 0.00 C ATOM 639 OE1 GLU A 41 -2.054 -25.482 -1.730 1.00 0.00 O ATOM 640 OE2 GLU A 41 -2.705 -24.690 0.165 1.00 0.00 O ATOM 0 H GLU A 41 -0.563 -21.114 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 41 1.461 -22.692 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.393 -23.653 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.301 -24.581 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.031 -22.838 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.987 -22.592 -1.681 1.00 0.00 H new ATOM 647 N LEU A 42 1.496 -22.429 -4.180 1.00 0.00 N ATOM 648 CA LEU A 42 2.433 -22.468 -5.337 1.00 0.00 C ATOM 649 C LEU A 42 3.463 -21.343 -5.209 1.00 0.00 C ATOM 650 O LEU A 42 4.580 -21.457 -5.671 1.00 0.00 O ATOM 651 CB LEU A 42 1.639 -22.281 -6.631 1.00 0.00 C ATOM 652 CG LEU A 42 1.122 -23.635 -7.122 1.00 0.00 C ATOM 653 CD1 LEU A 42 0.360 -23.439 -8.434 1.00 0.00 C ATOM 654 CD2 LEU A 42 2.305 -24.581 -7.354 1.00 0.00 C ATOM 0 H LEU A 42 0.515 -22.291 -4.422 1.00 0.00 H new ATOM 0 HA LEU A 42 2.949 -23.428 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.803 -21.602 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.270 -21.824 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 42 0.457 -24.065 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.010 -24.402 -8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.481 -22.765 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.027 -23.010 -9.182 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.937 -25.545 -7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.971 -24.154 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.850 -24.718 -6.420 1.00 0.00 H new ATOM 666 N TRP A 43 3.093 -20.254 -4.591 1.00 0.00 N ATOM 667 CA TRP A 43 4.050 -19.120 -4.440 1.00 0.00 C ATOM 668 C TRP A 43 5.311 -19.596 -3.713 1.00 0.00 C ATOM 669 O TRP A 43 6.401 -19.556 -4.249 1.00 0.00 O ATOM 670 CB TRP A 43 3.382 -17.996 -3.635 1.00 0.00 C ATOM 671 CG TRP A 43 4.420 -17.026 -3.156 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.890 -16.961 -1.890 1.00 0.00 C ATOM 673 CD2 TRP A 43 5.118 -15.989 -3.906 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.834 -15.952 -1.814 1.00 0.00 N ATOM 675 CE2 TRP A 43 6.009 -15.323 -3.031 1.00 0.00 C ATOM 676 CE3 TRP A 43 5.066 -15.566 -5.247 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.821 -14.275 -3.470 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.881 -14.511 -5.692 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.757 -13.868 -4.805 1.00 0.00 C ATOM 0 H TRP A 43 2.170 -20.100 -4.184 1.00 0.00 H new ATOM 0 HA TRP A 43 4.328 -18.748 -5.426 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.648 -17.480 -4.254 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.844 -18.416 -2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.579 -17.593 -1.071 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.339 -15.703 -0.963 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.396 -16.055 -5.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.493 -13.783 -2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.833 -14.193 -6.723 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.382 -13.059 -5.154 1.00 0.00 H new ATOM 690 N ARG A 44 5.174 -20.032 -2.491 1.00 0.00 N ATOM 691 CA ARG A 44 6.366 -20.494 -1.725 1.00 0.00 C ATOM 692 C ARG A 44 6.782 -21.893 -2.186 1.00 0.00 C ATOM 693 O ARG A 44 7.672 -22.498 -1.623 1.00 0.00 O ATOM 694 CB ARG A 44 6.020 -20.540 -0.235 1.00 0.00 C ATOM 695 CG ARG A 44 6.488 -19.250 0.442 1.00 0.00 C ATOM 696 CD ARG A 44 6.511 -19.449 1.960 1.00 0.00 C ATOM 697 NE ARG A 44 7.780 -20.121 2.355 1.00 0.00 N ATOM 698 CZ ARG A 44 7.745 -21.283 2.951 1.00 0.00 C ATOM 699 NH1 ARG A 44 7.611 -21.347 4.249 1.00 0.00 N ATOM 700 NH2 ARG A 44 7.842 -22.379 2.251 1.00 0.00 N ATOM 0 H ARG A 44 4.288 -20.088 -1.989 1.00 0.00 H new ATOM 0 HA ARG A 44 7.190 -19.801 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.945 -20.661 -0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.497 -21.401 0.233 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.482 -18.979 0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.821 -18.428 0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.425 -18.487 2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.657 -20.050 2.271 1.00 0.00 H new ATOM 0 HE ARG A 44 8.676 -19.674 2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.534 -20.490 4.797 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.584 -22.254 4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.945 -22.329 1.237 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.815 -23.286 2.717 1.00 0.00 H new ATOM 714 N ALA A 45 6.142 -22.424 -3.194 1.00 0.00 N ATOM 715 CA ALA A 45 6.509 -23.790 -3.659 1.00 0.00 C ATOM 716 C ALA A 45 6.823 -23.781 -5.158 1.00 0.00 C ATOM 717 O ALA A 45 7.062 -24.815 -5.751 1.00 0.00 O ATOM 718 CB ALA A 45 5.337 -24.730 -3.400 1.00 0.00 C ATOM 0 H ALA A 45 5.387 -21.974 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 45 7.393 -24.125 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.595 -25.734 -3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.116 -24.751 -2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.461 -24.378 -3.945 1.00 0.00 H new ATOM 724 N MET A 46 6.820 -22.636 -5.785 1.00 0.00 N ATOM 725 CA MET A 46 7.109 -22.589 -7.235 1.00 0.00 C ATOM 726 C MET A 46 8.627 -22.579 -7.454 1.00 0.00 C ATOM 727 O MET A 46 9.308 -23.540 -7.153 1.00 0.00 O ATOM 728 CB MET A 46 6.461 -21.335 -7.812 1.00 0.00 C ATOM 729 CG MET A 46 6.816 -20.139 -6.937 1.00 0.00 C ATOM 730 SD MET A 46 7.190 -18.708 -7.983 1.00 0.00 S ATOM 731 CE MET A 46 6.333 -17.461 -6.990 1.00 0.00 C ATOM 0 H MET A 46 6.629 -21.733 -5.350 1.00 0.00 H new ATOM 0 HA MET A 46 6.703 -23.466 -7.740 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.807 -21.169 -8.832 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.379 -21.459 -7.858 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.987 -19.906 -6.268 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.675 -20.377 -6.309 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.555 -16.468 -7.381 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.258 -17.636 -7.035 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.669 -17.526 -5.955 1.00 0.00 H new ATOM 741 N LYS A 47 9.167 -21.512 -7.978 1.00 0.00 N ATOM 742 CA LYS A 47 10.630 -21.452 -8.219 1.00 0.00 C ATOM 743 C LYS A 47 11.294 -20.603 -7.130 1.00 0.00 C ATOM 744 O LYS A 47 11.683 -21.101 -6.093 1.00 0.00 O ATOM 745 CB LYS A 47 10.866 -20.807 -9.580 1.00 0.00 C ATOM 746 CG LYS A 47 11.121 -21.891 -10.628 1.00 0.00 C ATOM 747 CD LYS A 47 12.607 -21.908 -10.997 1.00 0.00 C ATOM 748 CE LYS A 47 12.830 -22.861 -12.172 1.00 0.00 C ATOM 749 NZ LYS A 47 13.143 -24.223 -11.656 1.00 0.00 N ATOM 0 H LYS A 47 8.651 -20.676 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 47 11.056 -22.455 -8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.000 -20.209 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.718 -20.129 -9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.821 -22.864 -10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.517 -21.702 -11.516 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.938 -20.904 -11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.202 -22.225 -10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.940 -22.895 -12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.648 -22.500 -12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.295 -24.871 -12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.004 -24.184 -11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.349 -24.566 -11.078 1.00 0.00 H new ATOM 763 N ASP A 48 11.420 -19.324 -7.363 1.00 0.00 N ATOM 764 CA ASP A 48 12.054 -18.435 -6.349 1.00 0.00 C ATOM 765 C ASP A 48 11.240 -17.145 -6.230 1.00 0.00 C ATOM 766 O ASP A 48 10.490 -16.788 -7.119 1.00 0.00 O ATOM 767 CB ASP A 48 13.482 -18.102 -6.783 1.00 0.00 C ATOM 768 CG ASP A 48 14.192 -19.381 -7.230 1.00 0.00 C ATOM 769 OD1 ASP A 48 13.902 -20.423 -6.666 1.00 0.00 O ATOM 770 OD2 ASP A 48 15.011 -19.297 -8.130 1.00 0.00 O ATOM 0 H ASP A 48 11.110 -18.856 -8.215 1.00 0.00 H new ATOM 0 HA ASP A 48 12.080 -18.941 -5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.466 -17.379 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.026 -17.641 -5.958 1.00 0.00 H new ATOM 775 N LYS A 49 11.378 -16.441 -5.140 1.00 0.00 N ATOM 776 CA LYS A 49 10.606 -15.177 -4.967 1.00 0.00 C ATOM 777 C LYS A 49 11.502 -13.979 -5.280 1.00 0.00 C ATOM 778 O LYS A 49 11.210 -12.860 -4.909 1.00 0.00 O ATOM 779 CB LYS A 49 10.112 -15.079 -3.524 1.00 0.00 C ATOM 780 CG LYS A 49 9.365 -16.362 -3.157 1.00 0.00 C ATOM 781 CD LYS A 49 9.538 -16.645 -1.664 1.00 0.00 C ATOM 782 CE LYS A 49 10.899 -17.296 -1.420 1.00 0.00 C ATOM 783 NZ LYS A 49 11.040 -17.617 0.028 1.00 0.00 N ATOM 0 H LYS A 49 11.991 -16.686 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 49 9.754 -15.177 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.954 -14.929 -2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.455 -14.217 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.307 -16.261 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.747 -17.198 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.460 -15.718 -1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.742 -17.301 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.993 -18.204 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.698 -16.624 -1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.966 -18.060 0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.968 -16.742 0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.285 -18.273 0.313 1.00 0.00 H new ATOM 797 N SER A 50 12.589 -14.202 -5.964 1.00 0.00 N ATOM 798 CA SER A 50 13.500 -13.074 -6.301 1.00 0.00 C ATOM 799 C SER A 50 13.042 -12.426 -7.608 1.00 0.00 C ATOM 800 O SER A 50 13.366 -11.290 -7.897 1.00 0.00 O ATOM 801 CB SER A 50 14.923 -13.605 -6.464 1.00 0.00 C ATOM 802 OG SER A 50 15.299 -14.310 -5.287 1.00 0.00 O ATOM 0 H SER A 50 12.886 -15.117 -6.304 1.00 0.00 H new ATOM 0 HA SER A 50 13.478 -12.333 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.981 -14.264 -7.330 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.613 -12.780 -6.644 1.00 0.00 H new ATOM 0 HG SER A 50 16.211 -14.654 -5.389 1.00 0.00 H new ATOM 808 N GLU A 51 12.283 -13.137 -8.397 1.00 0.00 N ATOM 809 CA GLU A 51 11.799 -12.565 -9.680 1.00 0.00 C ATOM 810 C GLU A 51 10.906 -11.367 -9.385 1.00 0.00 C ATOM 811 O GLU A 51 11.250 -10.228 -9.643 1.00 0.00 O ATOM 812 CB GLU A 51 11.009 -13.624 -10.428 1.00 0.00 C ATOM 813 CG GLU A 51 10.116 -12.977 -11.495 1.00 0.00 C ATOM 814 CD GLU A 51 10.908 -11.908 -12.252 1.00 0.00 C ATOM 815 OE1 GLU A 51 12.064 -12.157 -12.554 1.00 0.00 O ATOM 816 OE2 GLU A 51 10.346 -10.858 -12.517 1.00 0.00 O ATOM 0 H GLU A 51 11.978 -14.091 -8.205 1.00 0.00 H new ATOM 0 HA GLU A 51 12.643 -12.245 -10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.692 -14.331 -10.898 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.396 -14.191 -9.727 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.755 -13.736 -12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.239 -12.530 -11.027 1.00 0.00 H new ATOM 823 N TRP A 52 9.758 -11.627 -8.835 1.00 0.00 N ATOM 824 CA TRP A 52 8.819 -10.532 -8.501 1.00 0.00 C ATOM 825 C TRP A 52 9.490 -9.562 -7.551 1.00 0.00 C ATOM 826 O TRP A 52 9.426 -8.373 -7.730 1.00 0.00 O ATOM 827 CB TRP A 52 7.607 -11.125 -7.812 1.00 0.00 C ATOM 828 CG TRP A 52 7.128 -12.271 -8.597 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.415 -13.540 -8.323 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.289 -12.271 -9.771 1.00 0.00 C ATOM 831 NE1 TRP A 52 6.788 -14.349 -9.250 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.076 -13.605 -10.170 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.696 -11.247 -10.513 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.287 -13.914 -11.279 1.00 0.00 C ATOM 835 CZ3 TRP A 52 4.906 -11.544 -11.623 1.00 0.00 C ATOM 836 CH2 TRP A 52 4.696 -12.877 -12.008 1.00 0.00 C ATOM 0 H TRP A 52 9.428 -12.563 -8.601 1.00 0.00 H new ATOM 0 HA TRP A 52 8.524 -10.011 -9.412 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.865 -11.442 -6.801 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.821 -10.376 -7.720 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.037 -13.882 -7.509 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.844 -15.367 -9.255 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.850 -10.218 -10.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.135 -14.943 -11.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.453 -10.744 -12.190 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.079 -13.102 -12.866 1.00 0.00 H new ATOM 847 N GLU A 53 10.115 -10.072 -6.528 1.00 0.00 N ATOM 848 CA GLU A 53 10.785 -9.177 -5.537 1.00 0.00 C ATOM 849 C GLU A 53 11.429 -7.988 -6.251 1.00 0.00 C ATOM 850 O GLU A 53 11.029 -6.855 -6.065 1.00 0.00 O ATOM 851 CB GLU A 53 11.856 -9.963 -4.780 1.00 0.00 C ATOM 852 CG GLU A 53 11.242 -10.575 -3.521 1.00 0.00 C ATOM 853 CD GLU A 53 11.063 -9.488 -2.458 1.00 0.00 C ATOM 854 OE1 GLU A 53 10.396 -8.509 -2.748 1.00 0.00 O ATOM 855 OE2 GLU A 53 11.596 -9.654 -1.374 1.00 0.00 O ATOM 0 H GLU A 53 10.193 -11.070 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 53 10.040 -8.805 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.265 -10.747 -5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.683 -9.306 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.280 -11.029 -3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 53 11.884 -11.369 -3.140 1.00 0.00 H new ATOM 862 N ALA A 54 12.418 -8.223 -7.069 1.00 0.00 N ATOM 863 CA ALA A 54 13.062 -7.085 -7.782 1.00 0.00 C ATOM 864 C ALA A 54 11.996 -6.319 -8.568 1.00 0.00 C ATOM 865 O ALA A 54 12.045 -5.111 -8.692 1.00 0.00 O ATOM 866 CB ALA A 54 14.125 -7.619 -8.745 1.00 0.00 C ATOM 0 H ALA A 54 12.805 -9.145 -7.273 1.00 0.00 H new ATOM 0 HA ALA A 54 13.535 -6.419 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.596 -6.785 -9.266 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.881 -8.169 -8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.657 -8.283 -9.471 1.00 0.00 H new ATOM 872 N LYS A 55 11.035 -7.020 -9.102 1.00 0.00 N ATOM 873 CA LYS A 55 9.957 -6.354 -9.889 1.00 0.00 C ATOM 874 C LYS A 55 9.238 -5.303 -9.040 1.00 0.00 C ATOM 875 O LYS A 55 8.933 -4.222 -9.505 1.00 0.00 O ATOM 876 CB LYS A 55 8.942 -7.403 -10.341 1.00 0.00 C ATOM 877 CG LYS A 55 8.700 -7.268 -11.847 1.00 0.00 C ATOM 878 CD LYS A 55 7.709 -6.131 -12.109 1.00 0.00 C ATOM 879 CE LYS A 55 7.787 -5.719 -13.579 1.00 0.00 C ATOM 880 NZ LYS A 55 6.728 -4.712 -13.870 1.00 0.00 N ATOM 0 H LYS A 55 10.949 -8.034 -9.027 1.00 0.00 H new ATOM 0 HA LYS A 55 10.408 -5.864 -10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.310 -8.403 -10.110 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.005 -7.275 -9.799 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.641 -7.069 -12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.310 -8.203 -12.248 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.697 -6.452 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.938 -5.279 -11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.770 -5.303 -13.799 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.660 -6.592 -14.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.781 -4.432 -14.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.794 -5.125 -13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.869 -3.876 -13.268 1.00 0.00 H new ATOM 894 N ALA A 56 8.951 -5.608 -7.805 1.00 0.00 N ATOM 895 CA ALA A 56 8.242 -4.627 -6.944 1.00 0.00 C ATOM 896 C ALA A 56 9.111 -3.379 -6.787 1.00 0.00 C ATOM 897 O ALA A 56 8.618 -2.276 -6.654 1.00 0.00 O ATOM 898 CB ALA A 56 7.982 -5.247 -5.569 1.00 0.00 C ATOM 0 H ALA A 56 9.178 -6.496 -7.356 1.00 0.00 H new ATOM 0 HA ALA A 56 7.291 -4.356 -7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.462 -4.527 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.368 -6.140 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.931 -5.516 -5.106 1.00 0.00 H new ATOM 904 N ALA A 57 10.404 -3.550 -6.805 1.00 0.00 N ATOM 905 CA ALA A 57 11.317 -2.383 -6.663 1.00 0.00 C ATOM 906 C ALA A 57 10.953 -1.329 -7.706 1.00 0.00 C ATOM 907 O ALA A 57 10.846 -0.156 -7.408 1.00 0.00 O ATOM 908 CB ALA A 57 12.760 -2.838 -6.888 1.00 0.00 C ATOM 0 H ALA A 57 10.869 -4.452 -6.912 1.00 0.00 H new ATOM 0 HA ALA A 57 11.218 -1.960 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.431 -1.985 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.021 -3.597 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.857 -3.257 -7.890 1.00 0.00 H new ATOM 914 N LYS A 58 10.768 -1.736 -8.930 1.00 0.00 N ATOM 915 CA LYS A 58 10.412 -0.756 -9.993 1.00 0.00 C ATOM 916 C LYS A 58 9.273 0.136 -9.503 1.00 0.00 C ATOM 917 O LYS A 58 9.416 1.337 -9.430 1.00 0.00 O ATOM 918 CB LYS A 58 9.978 -1.498 -11.258 1.00 0.00 C ATOM 919 CG LYS A 58 10.266 -0.627 -12.483 1.00 0.00 C ATOM 920 CD LYS A 58 8.954 -0.045 -13.014 1.00 0.00 C ATOM 921 CE LYS A 58 9.256 1.137 -13.938 1.00 0.00 C ATOM 922 NZ LYS A 58 10.114 0.679 -15.067 1.00 0.00 N ATOM 0 H LYS A 58 10.848 -2.704 -9.240 1.00 0.00 H new ATOM 0 HA LYS A 58 11.282 -0.140 -10.222 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.511 -2.445 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.915 -1.734 -11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.952 0.177 -12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.753 -1.219 -13.257 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.397 -0.810 -13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.326 0.280 -12.184 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.327 1.559 -14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.760 1.928 -13.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.125 1.405 -15.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.083 0.520 -14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.734 -0.208 -15.455 1.00 0.00 H new ATOM 936 N ALA A 59 8.144 -0.427 -9.159 1.00 0.00 N ATOM 937 CA ALA A 59 7.025 0.432 -8.674 1.00 0.00 C ATOM 938 C ALA A 59 7.533 1.302 -7.534 1.00 0.00 C ATOM 939 O ALA A 59 7.086 2.404 -7.348 1.00 0.00 O ATOM 940 CB ALA A 59 5.869 -0.431 -8.154 1.00 0.00 C ATOM 0 H ALA A 59 7.950 -1.428 -9.192 1.00 0.00 H new ATOM 0 HA ALA A 59 6.667 1.046 -9.501 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.062 0.213 -7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.501 -1.069 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.220 -1.052 -7.330 1.00 0.00 H new ATOM 946 N LYS A 60 8.460 0.806 -6.767 1.00 0.00 N ATOM 947 CA LYS A 60 8.998 1.583 -5.626 1.00 0.00 C ATOM 948 C LYS A 60 9.633 2.875 -6.112 1.00 0.00 C ATOM 949 O LYS A 60 9.415 3.929 -5.560 1.00 0.00 O ATOM 950 CB LYS A 60 10.063 0.734 -4.957 1.00 0.00 C ATOM 951 CG LYS A 60 9.776 0.618 -3.458 1.00 0.00 C ATOM 952 CD LYS A 60 10.402 -0.670 -2.917 1.00 0.00 C ATOM 953 CE LYS A 60 9.456 -1.305 -1.897 1.00 0.00 C ATOM 954 NZ LYS A 60 9.161 -2.710 -2.300 1.00 0.00 N ATOM 0 H LYS A 60 8.872 -0.119 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 60 8.193 1.832 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.086 -0.258 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.046 1.179 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.182 1.482 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.700 0.614 -3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.593 -1.365 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.363 -0.453 -2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.908 -1.287 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.531 -0.731 -1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.518 -3.142 -1.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.713 -2.715 -3.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.047 -3.254 -2.337 1.00 0.00 H new ATOM 968 N ASP A 61 10.441 2.799 -7.117 1.00 0.00 N ATOM 969 CA ASP A 61 11.112 4.030 -7.620 1.00 0.00 C ATOM 970 C ASP A 61 10.101 4.921 -8.351 1.00 0.00 C ATOM 971 O ASP A 61 10.110 6.127 -8.210 1.00 0.00 O ATOM 972 CB ASP A 61 12.240 3.633 -8.574 1.00 0.00 C ATOM 973 CG ASP A 61 12.819 4.886 -9.234 1.00 0.00 C ATOM 974 OD1 ASP A 61 12.913 5.898 -8.559 1.00 0.00 O ATOM 975 OD2 ASP A 61 13.161 4.812 -10.403 1.00 0.00 O ATOM 0 H ASP A 61 10.671 1.941 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 61 11.523 4.587 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.021 3.103 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.863 2.950 -9.335 1.00 0.00 H new ATOM 980 N ASP A 62 9.233 4.338 -9.124 1.00 0.00 N ATOM 981 CA ASP A 62 8.221 5.146 -9.861 1.00 0.00 C ATOM 982 C ASP A 62 7.085 5.529 -8.913 1.00 0.00 C ATOM 983 O ASP A 62 6.212 6.304 -9.250 1.00 0.00 O ATOM 984 CB ASP A 62 7.653 4.307 -11.006 1.00 0.00 C ATOM 985 CG ASP A 62 8.764 3.989 -12.009 1.00 0.00 C ATOM 986 OD1 ASP A 62 9.899 3.853 -11.582 1.00 0.00 O ATOM 987 OD2 ASP A 62 8.462 3.887 -13.186 1.00 0.00 O ATOM 0 H ASP A 62 9.179 3.331 -9.279 1.00 0.00 H new ATOM 0 HA ASP A 62 8.689 6.049 -10.254 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.226 3.383 -10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.846 4.847 -11.501 1.00 0.00 H new ATOM 992 N TYR A 63 7.078 4.969 -7.738 1.00 0.00 N ATOM 993 CA TYR A 63 5.995 5.265 -6.767 1.00 0.00 C ATOM 994 C TYR A 63 6.435 6.345 -5.778 1.00 0.00 C ATOM 995 O TYR A 63 5.699 7.257 -5.479 1.00 0.00 O ATOM 996 CB TYR A 63 5.684 3.981 -6.021 1.00 0.00 C ATOM 997 CG TYR A 63 4.812 4.267 -4.847 1.00 0.00 C ATOM 998 CD1 TYR A 63 3.501 4.702 -5.037 1.00 0.00 C ATOM 999 CD2 TYR A 63 5.316 4.077 -3.566 1.00 0.00 C ATOM 1000 CE1 TYR A 63 2.684 4.944 -3.934 1.00 0.00 C ATOM 1001 CE2 TYR A 63 4.505 4.318 -2.456 1.00 0.00 C ATOM 1002 CZ TYR A 63 3.183 4.751 -2.637 1.00 0.00 C ATOM 1003 OH TYR A 63 2.377 4.990 -1.542 1.00 0.00 O ATOM 0 H TYR A 63 7.785 4.312 -7.407 1.00 0.00 H new ATOM 0 HA TYR A 63 5.114 5.633 -7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.189 3.275 -6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 63 6.610 3.511 -5.690 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.120 4.851 -6.036 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.334 3.743 -3.430 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.668 5.280 -4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.895 4.171 -1.459 1.00 0.00 H new ATOM 0 HH TYR A 63 2.878 4.806 -0.720 1.00 0.00 H new ATOM 1013 N ASP A 64 7.627 6.254 -5.267 1.00 0.00 N ATOM 1014 CA ASP A 64 8.097 7.282 -4.306 1.00 0.00 C ATOM 1015 C ASP A 64 8.373 8.566 -5.068 1.00 0.00 C ATOM 1016 O ASP A 64 8.163 9.661 -4.585 1.00 0.00 O ATOM 1017 CB ASP A 64 9.376 6.804 -3.655 1.00 0.00 C ATOM 1018 CG ASP A 64 9.645 7.612 -2.383 1.00 0.00 C ATOM 1019 OD1 ASP A 64 8.935 7.406 -1.413 1.00 0.00 O ATOM 1020 OD2 ASP A 64 10.556 8.423 -2.403 1.00 0.00 O ATOM 0 H ASP A 64 8.296 5.512 -5.474 1.00 0.00 H new ATOM 0 HA ASP A 64 7.341 7.456 -3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.298 5.744 -3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.210 6.912 -4.348 1.00 0.00 H new ATOM 1025 N ARG A 65 8.864 8.423 -6.261 1.00 0.00 N ATOM 1026 CA ARG A 65 9.190 9.612 -7.086 1.00 0.00 C ATOM 1027 C ARG A 65 7.919 10.234 -7.679 1.00 0.00 C ATOM 1028 O ARG A 65 7.804 11.438 -7.786 1.00 0.00 O ATOM 1029 CB ARG A 65 10.117 9.184 -8.220 1.00 0.00 C ATOM 1030 CG ARG A 65 10.717 10.420 -8.891 1.00 0.00 C ATOM 1031 CD ARG A 65 11.707 9.974 -9.966 1.00 0.00 C ATOM 1032 NE ARG A 65 13.061 9.827 -9.362 1.00 0.00 N ATOM 1033 CZ ARG A 65 14.125 10.028 -10.089 1.00 0.00 C ATOM 1034 NH1 ARG A 65 14.568 9.084 -10.873 1.00 0.00 N ATOM 1035 NH2 ARG A 65 14.749 11.172 -10.028 1.00 0.00 N ATOM 0 H ARG A 65 9.055 7.525 -6.705 1.00 0.00 H new ATOM 0 HA ARG A 65 9.675 10.357 -6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.912 8.547 -7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.564 8.594 -8.951 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.928 11.027 -9.335 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.220 11.043 -8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.386 9.028 -10.401 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.735 10.704 -10.775 1.00 0.00 H new ATOM 0 HE ARG A 65 13.156 9.569 -8.380 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.082 8.188 -10.918 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.400 9.242 -11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.405 11.909 -9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.581 11.330 -10.596 1.00 0.00 H new ATOM 1049 N ALA A 66 6.977 9.429 -8.085 1.00 0.00 N ATOM 1050 CA ALA A 66 5.731 9.988 -8.693 1.00 0.00 C ATOM 1051 C ALA A 66 4.791 10.511 -7.614 1.00 0.00 C ATOM 1052 O ALA A 66 4.210 11.563 -7.760 1.00 0.00 O ATOM 1053 CB ALA A 66 5.023 8.900 -9.504 1.00 0.00 C ATOM 0 H ALA A 66 7.013 8.411 -8.024 1.00 0.00 H new ATOM 0 HA ALA A 66 6.006 10.816 -9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.115 9.309 -9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.685 8.547 -10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.764 8.068 -8.849 1.00 0.00 H new ATOM 1059 N VAL A 67 4.624 9.802 -6.535 1.00 0.00 N ATOM 1060 CA VAL A 67 3.710 10.305 -5.482 1.00 0.00 C ATOM 1061 C VAL A 67 4.135 11.712 -5.098 1.00 0.00 C ATOM 1062 O VAL A 67 3.327 12.592 -4.999 1.00 0.00 O ATOM 1063 CB VAL A 67 3.747 9.418 -4.263 1.00 0.00 C ATOM 1064 CG1 VAL A 67 3.391 7.991 -4.655 1.00 0.00 C ATOM 1065 CG2 VAL A 67 5.131 9.479 -3.673 1.00 0.00 C ATOM 0 H VAL A 67 5.075 8.908 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 67 2.691 10.306 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 67 3.022 9.757 -3.523 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.419 7.353 -3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.390 7.971 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.109 7.625 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.178 8.843 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.856 9.131 -4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.362 10.507 -3.393 1.00 0.00 H new ATOM 1075 N LYS A 68 5.402 11.928 -4.893 1.00 0.00 N ATOM 1076 CA LYS A 68 5.875 13.299 -4.529 1.00 0.00 C ATOM 1077 C LYS A 68 5.154 14.318 -5.415 1.00 0.00 C ATOM 1078 O LYS A 68 4.717 15.357 -4.963 1.00 0.00 O ATOM 1079 CB LYS A 68 7.385 13.398 -4.762 1.00 0.00 C ATOM 1080 CG LYS A 68 8.128 12.680 -3.632 1.00 0.00 C ATOM 1081 CD LYS A 68 9.153 13.630 -3.010 1.00 0.00 C ATOM 1082 CE LYS A 68 9.554 13.114 -1.626 1.00 0.00 C ATOM 1083 NZ LYS A 68 8.340 12.993 -0.768 1.00 0.00 N ATOM 0 H LYS A 68 6.133 11.219 -4.960 1.00 0.00 H new ATOM 0 HA LYS A 68 5.661 13.500 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.645 12.952 -5.722 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.689 14.444 -4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.421 12.344 -2.874 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.627 11.791 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.032 13.704 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.733 14.632 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.046 12.146 -1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.271 13.795 -1.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.598 13.164 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.632 13.694 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.942 12.037 -0.863 1.00 0.00 H new ATOM 1097 N GLU A 69 5.000 14.000 -6.671 1.00 0.00 N ATOM 1098 CA GLU A 69 4.284 14.903 -7.607 1.00 0.00 C ATOM 1099 C GLU A 69 2.819 14.934 -7.160 1.00 0.00 C ATOM 1100 O GLU A 69 2.220 15.965 -6.931 1.00 0.00 O ATOM 1101 CB GLU A 69 4.436 14.291 -9.016 1.00 0.00 C ATOM 1102 CG GLU A 69 3.078 13.944 -9.623 1.00 0.00 C ATOM 1103 CD GLU A 69 3.238 13.704 -11.126 1.00 0.00 C ATOM 1104 OE1 GLU A 69 4.264 14.093 -11.660 1.00 0.00 O ATOM 1105 OE2 GLU A 69 2.334 13.135 -11.716 1.00 0.00 O ATOM 0 H GLU A 69 5.347 13.138 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 69 4.672 15.921 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.957 14.994 -9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.051 13.393 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.670 13.055 -9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.371 14.754 -9.446 1.00 0.00 H new ATOM 1112 N PHE A 70 2.282 13.767 -7.024 1.00 0.00 N ATOM 1113 CA PHE A 70 0.880 13.561 -6.568 1.00 0.00 C ATOM 1114 C PHE A 70 0.615 14.279 -5.241 1.00 0.00 C ATOM 1115 O PHE A 70 -0.509 14.602 -4.910 1.00 0.00 O ATOM 1116 CB PHE A 70 0.757 12.087 -6.322 1.00 0.00 C ATOM 1117 CG PHE A 70 -0.400 11.831 -5.440 1.00 0.00 C ATOM 1118 CD1 PHE A 70 -1.660 11.756 -5.989 1.00 0.00 C ATOM 1119 CD2 PHE A 70 -0.194 11.689 -4.077 1.00 0.00 C ATOM 1120 CE1 PHE A 70 -2.761 11.533 -5.169 1.00 0.00 C ATOM 1121 CE2 PHE A 70 -1.288 11.463 -3.236 1.00 0.00 C ATOM 1122 CZ PHE A 70 -2.579 11.382 -3.784 1.00 0.00 C ATOM 0 H PHE A 70 2.780 12.899 -7.219 1.00 0.00 H new ATOM 0 HA PHE A 70 0.178 13.945 -7.308 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.632 11.559 -7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.669 11.706 -5.863 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.793 11.870 -7.055 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.803 11.752 -3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.752 11.476 -5.595 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.141 11.351 -2.172 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.429 11.204 -3.142 1.00 0.00 H new ATOM 1132 N GLU A 71 1.629 14.481 -4.466 1.00 0.00 N ATOM 1133 CA GLU A 71 1.436 15.120 -3.144 1.00 0.00 C ATOM 1134 C GLU A 71 1.746 16.604 -3.278 1.00 0.00 C ATOM 1135 O GLU A 71 1.372 17.418 -2.457 1.00 0.00 O ATOM 1136 CB GLU A 71 2.390 14.484 -2.129 1.00 0.00 C ATOM 1137 CG GLU A 71 2.116 12.979 -2.038 1.00 0.00 C ATOM 1138 CD GLU A 71 2.637 12.448 -0.701 1.00 0.00 C ATOM 1139 OE1 GLU A 71 2.007 12.720 0.308 1.00 0.00 O ATOM 1140 OE2 GLU A 71 3.656 11.779 -0.709 1.00 0.00 O ATOM 0 H GLU A 71 2.592 14.230 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 71 0.410 14.982 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.424 14.658 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.258 14.947 -1.151 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.047 12.787 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.603 12.459 -2.863 1.00 0.00 H new ATOM 1147 N ALA A 72 2.447 16.939 -4.317 1.00 0.00 N ATOM 1148 CA ALA A 72 2.833 18.344 -4.567 1.00 0.00 C ATOM 1149 C ALA A 72 1.689 19.077 -5.277 1.00 0.00 C ATOM 1150 O ALA A 72 1.894 19.765 -6.257 1.00 0.00 O ATOM 1151 CB ALA A 72 4.065 18.318 -5.461 1.00 0.00 C ATOM 0 H ALA A 72 2.776 16.278 -5.021 1.00 0.00 H new ATOM 0 HA ALA A 72 3.043 18.863 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.384 19.339 -5.671 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.869 17.783 -4.956 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.825 17.814 -6.397 1.00 0.00 H new ATOM 1157 N ASN A 73 0.484 18.932 -4.794 1.00 0.00 N ATOM 1158 CA ASN A 73 -0.670 19.616 -5.446 1.00 0.00 C ATOM 1159 C ASN A 73 -1.717 19.972 -4.389 1.00 0.00 C ATOM 1160 O ASN A 73 -2.055 21.123 -4.197 1.00 0.00 O ATOM 1161 CB ASN A 73 -1.292 18.680 -6.482 1.00 0.00 C ATOM 1162 CG ASN A 73 -1.835 19.492 -7.650 1.00 0.00 C ATOM 1163 OD1 ASN A 73 -1.974 20.695 -7.561 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -2.148 18.876 -8.752 1.00 0.00 N ATOM 0 H ASN A 73 0.249 18.369 -3.976 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.325 20.527 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.546 17.969 -6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.094 18.100 -6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.512 19.404 -9.546 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.030 17.865 -8.823 1.00 0.00 H new ATOM 1171 N GLY A 74 -2.237 18.989 -3.704 1.00 0.00 N ATOM 1172 CA GLY A 74 -3.266 19.270 -2.662 1.00 0.00 C ATOM 1173 C GLY A 74 -2.835 18.643 -1.335 1.00 0.00 C ATOM 1174 O GLY A 74 -2.400 19.383 -0.467 1.00 0.00 O ATOM 1175 OXT GLY A 74 -2.946 17.435 -1.209 1.00 0.00 O ATOM 0 H GLY A 74 -1.994 18.005 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.394 20.346 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.230 18.867 -2.970 1.00 0.00 H new TER 1179 GLY A 74