USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 655 hydrogens (21 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+ 180:sc= -1 (180deg=-1) USER MOD Single : A 2 ASN : amide:sc= -0.765 K(o=-0.77,f=0.0014) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.357 (180deg=-0.815) USER MOD Single : A 14 ASN : amide:sc= -2.97! C(o=-3!,f=-2.6!) USER MOD Single : A 17 LYS NZ :NH3+ -111:sc= 0.38 (180deg=-1.29) USER MOD Single : A 21 SER OG : rot 9:sc= -2.4! USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0329) USER MOD Single : A 24 THR OG1 : rot -141:sc= -1.79! USER MOD Single : A 27 SER OG : rot -160:sc= 0.323 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -9.45! C(o=-9.5!,f=-3.2!) USER MOD Single : A 49 GLN : amide:sc= -1.02 K(o=-1,f=-0.051) USER MOD Single : A 58 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-0.84) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -2.58! K(o=-2.6!,f=-0.15) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.644 K(o=-0.64,f=-1.4!) USER MOD Single : A 76 ASN : amide:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : A 78 MET CE :methyl 153:sc= -1.39 (180deg=-2.29) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 PNS O33 : rot -150:sc=-0.00939 USER MOD Single : A 101 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.411 -9.618 10.211 1.00 0.00 N ATOM 2 CA MET A 1 -4.302 -8.523 10.677 1.00 0.00 C ATOM 3 C MET A 1 -3.502 -7.272 11.026 1.00 0.00 C ATOM 4 O MET A 1 -3.447 -6.321 10.246 1.00 0.00 O ATOM 5 CB MET A 1 -5.076 -9.012 11.903 1.00 0.00 C ATOM 6 CG MET A 1 -4.554 -10.323 12.469 1.00 0.00 C ATOM 7 SD MET A 1 -5.789 -11.200 13.445 1.00 0.00 S ATOM 8 CE MET A 1 -4.746 -12.266 14.435 1.00 0.00 C ATOM 0 H1 MET A 1 -3.982 -10.456 9.981 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.894 -9.308 9.364 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.733 -9.857 10.962 1.00 0.00 H new ATOM 0 HA MET A 1 -4.993 -8.259 9.876 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.032 -8.248 12.679 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.125 -9.134 11.635 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.224 -10.962 11.650 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.681 -10.124 13.090 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.367 -12.874 15.093 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.166 -12.917 13.781 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.069 -11.658 15.035 1.00 0.00 H new ATOM 20 N ASN A 2 -2.883 -7.280 12.202 1.00 0.00 N ATOM 21 CA ASN A 2 -2.086 -6.146 12.654 1.00 0.00 C ATOM 22 C ASN A 2 -0.919 -5.889 11.710 1.00 0.00 C ATOM 23 O ASN A 2 -0.486 -4.752 11.535 1.00 0.00 O ATOM 24 CB ASN A 2 -1.565 -6.387 14.071 1.00 0.00 C ATOM 25 CG ASN A 2 -2.683 -6.453 15.095 1.00 0.00 C ATOM 26 OD1 ASN A 2 -2.925 -5.496 15.829 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.370 -7.588 15.147 1.00 0.00 N ATOM 0 H ASN A 2 -2.918 -8.059 12.859 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.729 -5.266 12.658 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.000 -7.319 14.094 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.874 -5.588 14.342 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.134 -7.692 15.815 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.134 -8.356 14.519 1.00 0.00 H new ATOM 34 N ASP A 3 -0.411 -6.956 11.112 1.00 0.00 N ATOM 35 CA ASP A 3 0.713 -6.856 10.187 1.00 0.00 C ATOM 36 C ASP A 3 0.448 -5.810 9.110 1.00 0.00 C ATOM 37 O ASP A 3 1.376 -5.198 8.582 1.00 0.00 O ATOM 38 CB ASP A 3 0.989 -8.214 9.539 1.00 0.00 C ATOM 39 CG ASP A 3 0.028 -8.519 8.406 1.00 0.00 C ATOM 40 OD1 ASP A 3 -1.113 -8.011 8.442 1.00 0.00 O ATOM 41 OD2 ASP A 3 0.417 -9.267 7.484 1.00 0.00 O ATOM 0 H ASP A 3 -0.759 -7.905 11.250 1.00 0.00 H new ATOM 0 HA ASP A 3 1.589 -6.546 10.756 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.011 -8.232 9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.916 -8.996 10.295 1.00 0.00 H new ATOM 46 N VAL A 4 -0.822 -5.618 8.784 1.00 0.00 N ATOM 47 CA VAL A 4 -1.216 -4.656 7.763 1.00 0.00 C ATOM 48 C VAL A 4 -1.032 -3.215 8.231 1.00 0.00 C ATOM 49 O VAL A 4 -0.361 -2.422 7.575 1.00 0.00 O ATOM 50 CB VAL A 4 -2.670 -4.860 7.339 1.00 0.00 C ATOM 51 CG1 VAL A 4 -3.139 -3.715 6.456 1.00 0.00 C ATOM 52 CG2 VAL A 4 -2.840 -6.196 6.632 1.00 0.00 C ATOM 0 H VAL A 4 -1.601 -6.118 9.213 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.561 -4.832 6.910 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.290 -4.870 8.236 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.177 -3.881 6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.061 -2.777 7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.516 -3.665 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.882 -6.322 6.338 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.207 -6.221 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.553 -7.003 7.306 1.00 0.00 H new ATOM 62 N LEU A 5 -1.642 -2.877 9.362 1.00 0.00 N ATOM 63 CA LEU A 5 -1.555 -1.529 9.913 1.00 0.00 C ATOM 64 C LEU A 5 -0.143 -1.203 10.388 1.00 0.00 C ATOM 65 O LEU A 5 0.304 -0.063 10.303 1.00 0.00 O ATOM 66 CB LEU A 5 -2.542 -1.360 11.062 1.00 0.00 C ATOM 67 CG LEU A 5 -3.791 -2.237 10.984 1.00 0.00 C ATOM 68 CD1 LEU A 5 -4.110 -2.576 9.538 1.00 0.00 C ATOM 69 CD2 LEU A 5 -3.604 -3.505 11.803 1.00 0.00 C ATOM 0 H LEU A 5 -2.205 -3.521 9.917 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.809 -0.833 9.114 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.025 -1.574 11.998 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.853 -0.316 11.102 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.631 -1.681 11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.002 -3.201 9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.286 -1.657 8.979 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.271 -3.114 9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.503 -4.117 11.736 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.753 -4.066 11.416 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.421 -3.242 12.845 1.00 0.00 H new ATOM 81 N THR A 6 0.543 -2.205 10.907 1.00 0.00 N ATOM 82 CA THR A 6 1.899 -2.025 11.418 1.00 0.00 C ATOM 83 C THR A 6 2.867 -1.590 10.324 1.00 0.00 C ATOM 84 O THR A 6 3.525 -0.556 10.439 1.00 0.00 O ATOM 85 CB THR A 6 2.394 -3.320 12.058 1.00 0.00 C ATOM 86 OG1 THR A 6 3.809 -3.342 12.121 1.00 0.00 O ATOM 87 CG2 THR A 6 1.948 -4.554 11.310 1.00 0.00 C ATOM 0 H THR A 6 0.186 -3.157 10.988 1.00 0.00 H new ATOM 0 HA THR A 6 1.864 -1.233 12.166 1.00 0.00 H new ATOM 0 HB THR A 6 1.958 -3.338 13.057 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.105 -4.179 12.536 1.00 0.00 H new ATOM 0 HG21 THR A 6 2.331 -5.442 11.813 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.859 -4.591 11.286 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.332 -4.520 10.291 1.00 0.00 H new ATOM 95 N ARG A 7 2.955 -2.391 9.275 1.00 0.00 N ATOM 96 CA ARG A 7 3.848 -2.111 8.162 1.00 0.00 C ATOM 97 C ARG A 7 3.274 -1.031 7.256 1.00 0.00 C ATOM 98 O ARG A 7 3.987 -0.133 6.811 1.00 0.00 O ATOM 99 CB ARG A 7 4.105 -3.385 7.355 1.00 0.00 C ATOM 100 CG ARG A 7 3.160 -3.562 6.178 1.00 0.00 C ATOM 101 CD ARG A 7 3.654 -2.815 4.950 1.00 0.00 C ATOM 102 NE ARG A 7 4.081 -3.725 3.891 1.00 0.00 N ATOM 103 CZ ARG A 7 5.306 -4.232 3.806 1.00 0.00 C ATOM 104 NH1 ARG A 7 6.221 -3.916 4.713 1.00 0.00 N ATOM 105 NH2 ARG A 7 5.619 -5.053 2.812 1.00 0.00 N ATOM 0 H ARG A 7 2.413 -3.249 9.171 1.00 0.00 H new ATOM 0 HA ARG A 7 4.791 -1.749 8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.131 -3.371 6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.015 -4.248 8.015 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.062 -4.622 5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.168 -3.202 6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.860 -2.169 4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.486 -2.168 5.229 1.00 0.00 H new ATOM 0 HE ARG A 7 3.401 -3.986 3.177 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.984 -3.283 5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.161 -4.306 4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.919 -5.296 2.111 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.560 -5.441 2.748 1.00 0.00 H new ATOM 119 N VAL A 8 1.981 -1.135 6.980 1.00 0.00 N ATOM 120 CA VAL A 8 1.307 -0.178 6.118 1.00 0.00 C ATOM 121 C VAL A 8 1.285 1.214 6.741 1.00 0.00 C ATOM 122 O VAL A 8 1.651 2.198 6.100 1.00 0.00 O ATOM 123 CB VAL A 8 -0.139 -0.616 5.817 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.078 -0.150 6.918 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.588 -0.087 4.465 1.00 0.00 C ATOM 0 H VAL A 8 1.379 -1.874 7.342 1.00 0.00 H new ATOM 0 HA VAL A 8 1.872 -0.143 5.187 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.169 -1.705 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.095 -0.469 6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.768 -0.584 7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.046 0.937 6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.612 -0.407 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.543 1.002 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.068 -0.476 3.686 1.00 0.00 H new ATOM 135 N LEU A 9 0.855 1.286 7.996 1.00 0.00 N ATOM 136 CA LEU A 9 0.786 2.556 8.711 1.00 0.00 C ATOM 137 C LEU A 9 2.173 3.172 8.863 1.00 0.00 C ATOM 138 O LEU A 9 2.357 4.372 8.661 1.00 0.00 O ATOM 139 CB LEU A 9 0.154 2.356 10.089 1.00 0.00 C ATOM 140 CG LEU A 9 1.132 1.969 11.200 1.00 0.00 C ATOM 141 CD1 LEU A 9 1.925 3.183 11.659 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.389 1.343 12.370 1.00 0.00 C ATOM 0 H LEU A 9 0.549 0.479 8.540 1.00 0.00 H new ATOM 0 HA LEU A 9 0.166 3.237 8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.353 3.277 10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.610 1.582 10.013 1.00 0.00 H new ATOM 0 HG LEU A 9 1.830 1.232 10.803 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.615 2.889 12.449 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.488 3.589 10.818 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.241 3.942 12.039 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.100 1.074 13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.332 2.057 12.767 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.134 0.449 12.032 1.00 0.00 H new ATOM 154 N GLU A 10 3.146 2.340 9.220 1.00 0.00 N ATOM 155 CA GLU A 10 4.517 2.796 9.401 1.00 0.00 C ATOM 156 C GLU A 10 5.107 3.276 8.083 1.00 0.00 C ATOM 157 O GLU A 10 5.925 4.194 8.051 1.00 0.00 O ATOM 158 CB GLU A 10 5.381 1.676 9.983 1.00 0.00 C ATOM 159 CG GLU A 10 5.645 0.543 9.007 1.00 0.00 C ATOM 160 CD GLU A 10 7.035 -0.045 9.157 1.00 0.00 C ATOM 161 OE1 GLU A 10 8.014 0.730 9.118 1.00 0.00 O ATOM 162 OE2 GLU A 10 7.144 -1.279 9.315 1.00 0.00 O ATOM 0 H GLU A 10 3.008 1.344 9.390 1.00 0.00 H new ATOM 0 HA GLU A 10 4.504 3.632 10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.334 2.095 10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.891 1.274 10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.904 -0.242 9.159 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.517 0.909 7.988 1.00 0.00 H new ATOM 169 N VAL A 11 4.690 2.637 7.001 1.00 0.00 N ATOM 170 CA VAL A 11 5.175 2.983 5.673 1.00 0.00 C ATOM 171 C VAL A 11 4.884 4.436 5.332 1.00 0.00 C ATOM 172 O VAL A 11 5.786 5.203 4.995 1.00 0.00 O ATOM 173 CB VAL A 11 4.547 2.081 4.606 1.00 0.00 C ATOM 174 CG1 VAL A 11 4.293 2.857 3.324 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.426 0.868 4.347 1.00 0.00 C ATOM 0 H VAL A 11 4.014 1.873 7.016 1.00 0.00 H new ATOM 0 HA VAL A 11 6.255 2.834 5.683 1.00 0.00 H new ATOM 0 HB VAL A 11 3.585 1.728 4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.847 2.196 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.614 3.685 3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.236 3.248 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.963 0.239 3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.406 1.196 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.540 0.298 5.269 1.00 0.00 H new ATOM 185 N VAL A 12 3.618 4.805 5.429 1.00 0.00 N ATOM 186 CA VAL A 12 3.192 6.169 5.137 1.00 0.00 C ATOM 187 C VAL A 12 3.719 7.142 6.185 1.00 0.00 C ATOM 188 O VAL A 12 4.238 8.209 5.854 1.00 0.00 O ATOM 189 CB VAL A 12 1.657 6.277 5.077 1.00 0.00 C ATOM 190 CG1 VAL A 12 1.034 5.763 6.365 1.00 0.00 C ATOM 191 CG2 VAL A 12 1.234 7.713 4.807 1.00 0.00 C ATOM 0 H VAL A 12 2.863 4.179 5.708 1.00 0.00 H new ATOM 0 HA VAL A 12 3.604 6.429 4.162 1.00 0.00 H new ATOM 0 HB VAL A 12 1.299 5.656 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.051 5.848 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.309 4.718 6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.397 6.354 7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.146 7.771 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.603 8.357 5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.649 8.042 3.854 1.00 0.00 H new ATOM 201 N LYS A 13 3.583 6.765 7.452 1.00 0.00 N ATOM 202 CA LYS A 13 4.046 7.603 8.551 1.00 0.00 C ATOM 203 C LYS A 13 5.511 7.975 8.360 1.00 0.00 C ATOM 204 O LYS A 13 5.882 9.145 8.459 1.00 0.00 O ATOM 205 CB LYS A 13 3.864 6.876 9.884 1.00 0.00 C ATOM 206 CG LYS A 13 2.501 7.096 10.519 1.00 0.00 C ATOM 207 CD LYS A 13 1.377 6.838 9.530 1.00 0.00 C ATOM 208 CE LYS A 13 0.815 8.137 8.974 1.00 0.00 C ATOM 209 NZ LYS A 13 -0.667 8.090 8.845 1.00 0.00 N ATOM 0 H LYS A 13 3.156 5.885 7.743 1.00 0.00 H new ATOM 0 HA LYS A 13 3.451 8.516 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.014 5.808 9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.636 7.209 10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.389 6.436 11.379 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.432 8.118 10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.746 6.220 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.582 6.276 10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.097 8.963 9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.258 8.336 7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.045 9.059 8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.923 7.604 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.070 7.574 9.653 1.00 0.00 H new ATOM 223 N ASN A 14 6.339 6.973 8.081 1.00 0.00 N ATOM 224 CA ASN A 14 7.758 7.192 7.873 1.00 0.00 C ATOM 225 C ASN A 14 8.035 7.613 6.434 1.00 0.00 C ATOM 226 O ASN A 14 9.174 7.906 6.070 1.00 0.00 O ATOM 227 CB ASN A 14 8.548 5.926 8.208 1.00 0.00 C ATOM 228 CG ASN A 14 8.178 5.356 9.564 1.00 0.00 C ATOM 229 OD1 ASN A 14 8.373 6.000 10.594 1.00 0.00 O ATOM 230 ND2 ASN A 14 7.641 4.141 9.568 1.00 0.00 N ATOM 0 H ASN A 14 6.046 6.000 7.994 1.00 0.00 H new ATOM 0 HA ASN A 14 8.078 7.995 8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.368 5.174 7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.614 6.151 8.190 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.372 3.705 10.450 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.498 3.644 8.689 1.00 0.00 H new ATOM 237 N PHE A 15 6.983 7.648 5.621 1.00 0.00 N ATOM 238 CA PHE A 15 7.113 8.041 4.225 1.00 0.00 C ATOM 239 C PHE A 15 7.529 9.502 4.122 1.00 0.00 C ATOM 240 O PHE A 15 8.162 9.913 3.153 1.00 0.00 O ATOM 241 CB PHE A 15 5.796 7.816 3.481 1.00 0.00 C ATOM 242 CG PHE A 15 5.970 7.195 2.125 1.00 0.00 C ATOM 243 CD1 PHE A 15 6.613 5.974 1.985 1.00 0.00 C ATOM 244 CD2 PHE A 15 5.492 7.831 0.991 1.00 0.00 C ATOM 245 CE1 PHE A 15 6.774 5.401 0.739 1.00 0.00 C ATOM 246 CE2 PHE A 15 5.651 7.262 -0.259 1.00 0.00 C ATOM 247 CZ PHE A 15 6.293 6.045 -0.385 1.00 0.00 C ATOM 0 H PHE A 15 6.033 7.409 5.906 1.00 0.00 H new ATOM 0 HA PHE A 15 7.884 7.423 3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.152 7.176 4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.283 8.771 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.992 5.466 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.989 8.782 1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.276 4.450 0.643 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.274 7.768 -1.136 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.419 5.598 -1.360 1.00 0.00 H new ATOM 257 N GLU A 16 7.163 10.275 5.138 1.00 0.00 N ATOM 258 CA GLU A 16 7.490 11.697 5.187 1.00 0.00 C ATOM 259 C GLU A 16 6.248 12.550 4.954 1.00 0.00 C ATOM 260 O GLU A 16 6.315 13.779 4.985 1.00 0.00 O ATOM 261 CB GLU A 16 8.559 12.043 4.149 1.00 0.00 C ATOM 262 CG GLU A 16 7.995 12.374 2.784 1.00 0.00 C ATOM 263 CD GLU A 16 8.699 11.639 1.661 1.00 0.00 C ATOM 264 OE1 GLU A 16 9.928 11.438 1.762 1.00 0.00 O ATOM 265 OE2 GLU A 16 8.022 11.263 0.681 1.00 0.00 O ATOM 0 H GLU A 16 6.636 9.939 5.944 1.00 0.00 H new ATOM 0 HA GLU A 16 7.881 11.914 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.140 12.892 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.247 11.203 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.934 12.126 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.074 13.448 2.614 1.00 0.00 H new ATOM 272 N LYS A 17 5.119 11.893 4.718 1.00 0.00 N ATOM 273 CA LYS A 17 3.867 12.595 4.476 1.00 0.00 C ATOM 274 C LYS A 17 3.361 13.266 5.749 1.00 0.00 C ATOM 275 O LYS A 17 3.014 14.447 5.743 1.00 0.00 O ATOM 276 CB LYS A 17 2.810 11.627 3.940 1.00 0.00 C ATOM 277 CG LYS A 17 2.595 11.720 2.439 1.00 0.00 C ATOM 278 CD LYS A 17 3.075 13.051 1.894 1.00 0.00 C ATOM 279 CE LYS A 17 2.428 14.211 2.630 1.00 0.00 C ATOM 280 NZ LYS A 17 1.183 14.673 1.957 1.00 0.00 N ATOM 0 H LYS A 17 5.046 10.876 4.689 1.00 0.00 H new ATOM 0 HA LYS A 17 4.053 13.368 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.103 10.608 4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.864 11.821 4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.127 10.908 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.536 11.593 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.159 13.116 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.843 13.117 0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.197 13.909 3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.134 15.039 2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.339 15.616 1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.929 14.005 1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.410 14.721 2.651 1.00 0.00 H new ATOM 294 N VAL A 18 3.320 12.507 6.841 1.00 0.00 N ATOM 295 CA VAL A 18 2.856 13.036 8.118 1.00 0.00 C ATOM 296 C VAL A 18 2.801 11.945 9.183 1.00 0.00 C ATOM 297 O VAL A 18 2.737 10.757 8.867 1.00 0.00 O ATOM 298 CB VAL A 18 1.460 13.676 7.987 1.00 0.00 C ATOM 299 CG1 VAL A 18 1.541 15.179 8.198 1.00 0.00 C ATOM 300 CG2 VAL A 18 0.850 13.352 6.632 1.00 0.00 C ATOM 0 H VAL A 18 3.602 11.527 6.866 1.00 0.00 H new ATOM 0 HA VAL A 18 3.574 13.799 8.420 1.00 0.00 H new ATOM 0 HB VAL A 18 0.814 13.258 8.759 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.546 15.614 8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.933 15.386 9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.202 15.616 7.450 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.135 13.812 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.492 13.740 5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.755 12.271 6.525 1.00 0.00 H new ATOM 310 N ASP A 19 2.825 12.358 10.446 1.00 0.00 N ATOM 311 CA ASP A 19 2.774 11.419 11.557 1.00 0.00 C ATOM 312 C ASP A 19 1.403 10.755 11.643 1.00 0.00 C ATOM 313 O ASP A 19 0.386 11.369 11.323 1.00 0.00 O ATOM 314 CB ASP A 19 3.091 12.133 12.873 1.00 0.00 C ATOM 315 CG ASP A 19 2.233 13.364 13.083 1.00 0.00 C ATOM 316 OD1 ASP A 19 1.743 13.926 12.080 1.00 0.00 O ATOM 317 OD2 ASP A 19 2.050 13.768 14.251 1.00 0.00 O ATOM 0 H ASP A 19 2.880 13.338 10.724 1.00 0.00 H new ATOM 0 HA ASP A 19 3.523 10.647 11.382 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.941 11.443 13.703 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.142 12.420 12.883 1.00 0.00 H new ATOM 322 N ALA A 20 1.382 9.499 12.069 1.00 0.00 N ATOM 323 CA ALA A 20 0.134 8.757 12.191 1.00 0.00 C ATOM 324 C ALA A 20 -0.763 9.348 13.273 1.00 0.00 C ATOM 325 O ALA A 20 -1.963 9.080 13.312 1.00 0.00 O ATOM 326 CB ALA A 20 0.419 7.295 12.490 1.00 0.00 C ATOM 0 H ALA A 20 2.214 8.973 12.336 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.393 8.833 11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.522 6.752 12.579 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.010 6.867 11.681 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.973 7.216 13.425 1.00 0.00 H new ATOM 332 N SER A 21 -0.171 10.143 14.158 1.00 0.00 N ATOM 333 CA SER A 21 -0.916 10.759 15.248 1.00 0.00 C ATOM 334 C SER A 21 -1.920 11.782 14.730 1.00 0.00 C ATOM 335 O SER A 21 -2.884 12.122 15.417 1.00 0.00 O ATOM 336 CB SER A 21 0.043 11.424 16.238 1.00 0.00 C ATOM 337 OG SER A 21 0.856 12.387 15.592 1.00 0.00 O ATOM 0 H SER A 21 0.822 10.375 14.141 1.00 0.00 H new ATOM 0 HA SER A 21 -1.470 9.970 15.757 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.526 11.901 17.036 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.672 10.666 16.704 1.00 0.00 H new ATOM 0 HG SER A 21 0.532 12.529 14.678 1.00 0.00 H new ATOM 343 N LYS A 22 -1.697 12.266 13.514 1.00 0.00 N ATOM 344 CA LYS A 22 -2.591 13.242 12.910 1.00 0.00 C ATOM 345 C LYS A 22 -3.623 12.542 12.040 1.00 0.00 C ATOM 346 O LYS A 22 -4.376 13.183 11.306 1.00 0.00 O ATOM 347 CB LYS A 22 -1.807 14.258 12.079 1.00 0.00 C ATOM 348 CG LYS A 22 -0.673 13.646 11.275 1.00 0.00 C ATOM 349 CD LYS A 22 -1.197 12.709 10.198 1.00 0.00 C ATOM 350 CE LYS A 22 -2.150 13.423 9.254 1.00 0.00 C ATOM 351 NZ LYS A 22 -2.412 12.627 8.023 1.00 0.00 N ATOM 0 H LYS A 22 -0.906 11.998 12.929 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.104 13.775 13.711 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.492 14.763 11.398 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.399 15.020 12.743 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.083 14.438 10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.006 13.099 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.360 12.300 9.631 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.708 11.867 10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.091 13.618 9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.731 14.391 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.955 13.202 7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.508 12.347 7.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.957 11.776 8.269 1.00 0.00 H new ATOM 365 N VAL A 23 -3.643 11.218 12.124 1.00 0.00 N ATOM 366 CA VAL A 23 -4.565 10.414 11.347 1.00 0.00 C ATOM 367 C VAL A 23 -5.854 10.144 12.117 1.00 0.00 C ATOM 368 O VAL A 23 -5.825 9.623 13.233 1.00 0.00 O ATOM 369 CB VAL A 23 -3.920 9.074 10.949 1.00 0.00 C ATOM 370 CG1 VAL A 23 -4.706 7.905 11.520 1.00 0.00 C ATOM 371 CG2 VAL A 23 -3.802 8.971 9.438 1.00 0.00 C ATOM 0 H VAL A 23 -3.024 10.679 12.729 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.807 10.980 10.448 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.916 9.035 11.371 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.231 6.969 11.226 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.725 7.976 12.608 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.726 7.931 11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.344 8.018 9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.794 9.034 8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.183 9.787 9.065 1.00 0.00 H new ATOM 381 N THR A 24 -6.982 10.497 11.511 1.00 0.00 N ATOM 382 CA THR A 24 -8.278 10.291 12.128 1.00 0.00 C ATOM 383 C THR A 24 -9.095 9.272 11.342 1.00 0.00 C ATOM 384 O THR A 24 -8.730 8.895 10.229 1.00 0.00 O ATOM 385 CB THR A 24 -9.039 11.614 12.227 1.00 0.00 C ATOM 386 OG1 THR A 24 -9.398 11.886 13.570 1.00 0.00 O ATOM 387 CG2 THR A 24 -10.305 11.643 11.398 1.00 0.00 C ATOM 0 H THR A 24 -7.020 10.929 10.588 1.00 0.00 H new ATOM 0 HA THR A 24 -8.118 9.902 13.134 1.00 0.00 H new ATOM 0 HB THR A 24 -8.355 12.369 11.839 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.295 12.279 13.596 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.794 12.610 11.515 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.056 11.487 10.348 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.977 10.853 11.733 1.00 0.00 H new ATOM 395 N PRO A 25 -10.218 8.814 11.914 1.00 0.00 N ATOM 396 CA PRO A 25 -11.093 7.834 11.262 1.00 0.00 C ATOM 397 C PRO A 25 -11.758 8.399 10.012 1.00 0.00 C ATOM 398 O PRO A 25 -11.966 7.687 9.030 1.00 0.00 O ATOM 399 CB PRO A 25 -12.142 7.520 12.332 1.00 0.00 C ATOM 400 CG PRO A 25 -12.136 8.706 13.234 1.00 0.00 C ATOM 401 CD PRO A 25 -10.723 9.216 13.236 1.00 0.00 C ATOM 0 HA PRO A 25 -10.541 6.958 10.922 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.126 7.366 11.888 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.892 6.609 12.875 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.827 9.471 12.878 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.454 8.433 14.240 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.685 10.297 13.370 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.137 8.775 14.042 1.00 0.00 H new ATOM 409 N GLU A 26 -12.087 9.686 10.054 1.00 0.00 N ATOM 410 CA GLU A 26 -12.724 10.351 8.930 1.00 0.00 C ATOM 411 C GLU A 26 -11.729 11.235 8.184 1.00 0.00 C ATOM 412 O GLU A 26 -12.120 12.136 7.441 1.00 0.00 O ATOM 413 CB GLU A 26 -13.911 11.189 9.410 1.00 0.00 C ATOM 414 CG GLU A 26 -13.590 12.067 10.608 1.00 0.00 C ATOM 415 CD GLU A 26 -13.940 11.403 11.926 1.00 0.00 C ATOM 416 OE1 GLU A 26 -14.603 10.346 11.901 1.00 0.00 O ATOM 417 OE2 GLU A 26 -13.548 11.941 12.984 1.00 0.00 O ATOM 0 H GLU A 26 -11.921 10.289 10.860 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.085 9.584 8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.256 11.819 8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.735 10.523 9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.528 12.313 10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.136 13.007 10.522 1.00 0.00 H new ATOM 424 N SER A 27 -10.442 10.974 8.390 1.00 0.00 N ATOM 425 CA SER A 27 -9.392 11.750 7.741 1.00 0.00 C ATOM 426 C SER A 27 -9.458 11.604 6.225 1.00 0.00 C ATOM 427 O SER A 27 -9.559 10.494 5.700 1.00 0.00 O ATOM 428 CB SER A 27 -8.018 11.308 8.247 1.00 0.00 C ATOM 429 OG SER A 27 -7.439 12.296 9.082 1.00 0.00 O ATOM 0 H SER A 27 -10.102 10.231 9.001 1.00 0.00 H new ATOM 0 HA SER A 27 -9.546 12.800 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.114 10.372 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.361 11.113 7.400 1.00 0.00 H new ATOM 0 HG SER A 27 -6.471 12.154 9.134 1.00 0.00 H new ATOM 435 N HIS A 28 -9.400 12.733 5.525 1.00 0.00 N ATOM 436 CA HIS A 28 -9.451 12.737 4.073 1.00 0.00 C ATOM 437 C HIS A 28 -8.077 12.450 3.479 1.00 0.00 C ATOM 438 O HIS A 28 -7.051 12.794 4.067 1.00 0.00 O ATOM 439 CB HIS A 28 -9.971 14.083 3.564 1.00 0.00 C ATOM 440 CG HIS A 28 -11.446 14.097 3.306 1.00 0.00 C ATOM 441 ND1 HIS A 28 -12.039 13.380 2.289 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.449 14.748 3.942 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.343 13.589 2.308 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.618 14.414 3.301 1.00 0.00 N ATOM 0 H HIS A 28 -9.317 13.659 5.945 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.134 11.949 3.756 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.731 14.856 4.295 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.447 14.341 2.644 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.349 15.406 4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.062 13.158 1.627 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -14.548 14.749 3.552 1.00 0.00 H new ATOM 453 N PHE A 29 -8.061 11.818 2.310 1.00 0.00 N ATOM 454 CA PHE A 29 -6.812 11.485 1.639 1.00 0.00 C ATOM 455 C PHE A 29 -6.099 12.747 1.165 1.00 0.00 C ATOM 456 O PHE A 29 -6.079 13.761 1.863 1.00 0.00 O ATOM 457 CB PHE A 29 -7.076 10.556 0.453 1.00 0.00 C ATOM 458 CG PHE A 29 -5.997 9.534 0.239 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.666 9.857 0.456 1.00 0.00 C ATOM 460 CD2 PHE A 29 -6.312 8.251 -0.179 1.00 0.00 C ATOM 461 CE1 PHE A 29 -3.671 8.918 0.260 1.00 0.00 C ATOM 462 CE2 PHE A 29 -5.320 7.309 -0.376 1.00 0.00 C ATOM 463 CZ PHE A 29 -3.998 7.643 -0.156 1.00 0.00 C ATOM 0 H PHE A 29 -8.900 11.526 1.808 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.169 10.972 2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.025 10.043 0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.182 11.156 -0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.404 10.853 0.782 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.344 7.984 -0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.638 9.182 0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.578 6.312 -0.702 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.222 6.908 -0.309 1.00 0.00 H new ATOM 473 N VAL A 30 -5.513 12.679 -0.027 1.00 0.00 N ATOM 474 CA VAL A 30 -4.800 13.817 -0.592 1.00 0.00 C ATOM 475 C VAL A 30 -5.444 15.131 -0.172 1.00 0.00 C ATOM 476 O VAL A 30 -4.769 16.148 -0.017 1.00 0.00 O ATOM 477 CB VAL A 30 -4.753 13.747 -2.131 1.00 0.00 C ATOM 478 CG1 VAL A 30 -3.518 14.459 -2.660 1.00 0.00 C ATOM 479 CG2 VAL A 30 -4.788 12.301 -2.600 1.00 0.00 C ATOM 0 H VAL A 30 -5.519 11.848 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.782 13.775 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.633 14.254 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.502 14.399 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.542 15.505 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.624 13.984 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.754 12.271 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.929 11.766 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.706 11.828 -2.252 1.00 0.00 H new ATOM 489 N LYS A 31 -6.754 15.094 0.009 1.00 0.00 N ATOM 490 CA LYS A 31 -7.508 16.274 0.411 1.00 0.00 C ATOM 491 C LYS A 31 -7.119 16.716 1.818 1.00 0.00 C ATOM 492 O LYS A 31 -6.912 17.903 2.071 1.00 0.00 O ATOM 493 CB LYS A 31 -9.009 15.989 0.349 1.00 0.00 C ATOM 494 CG LYS A 31 -9.416 15.116 -0.826 1.00 0.00 C ATOM 495 CD LYS A 31 -8.569 15.408 -2.055 1.00 0.00 C ATOM 496 CE LYS A 31 -8.375 14.163 -2.905 1.00 0.00 C ATOM 497 NZ LYS A 31 -8.680 14.418 -4.341 1.00 0.00 N ATOM 0 H LYS A 31 -7.321 14.256 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.269 17.081 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.316 15.503 1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.548 16.935 0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.314 14.066 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.468 15.284 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.046 16.186 -2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.598 15.794 -1.746 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.347 13.814 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.018 13.366 -2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.536 13.545 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.669 14.727 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.049 15.161 -4.703 1.00 0.00 H new ATOM 511 N ASP A 32 -7.027 15.755 2.732 1.00 0.00 N ATOM 512 CA ASP A 32 -6.669 16.041 4.109 1.00 0.00 C ATOM 513 C ASP A 32 -5.155 16.054 4.291 1.00 0.00 C ATOM 514 O ASP A 32 -4.656 16.086 5.415 1.00 0.00 O ATOM 515 CB ASP A 32 -7.298 15.010 5.048 1.00 0.00 C ATOM 516 CG ASP A 32 -7.981 15.653 6.239 1.00 0.00 C ATOM 517 OD1 ASP A 32 -8.218 16.878 6.198 1.00 0.00 O ATOM 518 OD2 ASP A 32 -8.279 14.931 7.213 1.00 0.00 O ATOM 0 H ASP A 32 -7.197 14.768 2.538 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.053 17.031 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.024 14.414 4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.526 14.326 5.401 1.00 0.00 H new ATOM 523 N LEU A 33 -4.431 16.029 3.175 1.00 0.00 N ATOM 524 CA LEU A 33 -2.972 16.038 3.205 1.00 0.00 C ATOM 525 C LEU A 33 -2.413 14.675 2.809 1.00 0.00 C ATOM 526 O LEU A 33 -1.426 14.209 3.379 1.00 0.00 O ATOM 527 CB LEU A 33 -2.466 16.425 4.596 1.00 0.00 C ATOM 528 CG LEU A 33 -2.977 17.768 5.120 1.00 0.00 C ATOM 529 CD1 LEU A 33 -3.089 17.741 6.637 1.00 0.00 C ATOM 530 CD2 LEU A 33 -2.061 18.897 4.671 1.00 0.00 C ATOM 0 H LEU A 33 -4.832 16.002 2.238 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.625 16.779 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.753 15.644 5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.377 16.451 4.575 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.970 17.945 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.454 18.705 6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.784 16.957 6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.109 17.542 7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.439 19.846 5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.056 18.725 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.031 18.930 3.582 1.00 0.00 H new ATOM 542 N GLY A 34 -3.048 14.042 1.829 1.00 0.00 N ATOM 543 CA GLY A 34 -2.598 12.740 1.373 1.00 0.00 C ATOM 544 C GLY A 34 -1.210 12.786 0.765 1.00 0.00 C ATOM 545 O GLY A 34 -0.702 13.860 0.442 1.00 0.00 O ATOM 0 H GLY A 34 -3.866 14.407 1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.601 12.044 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.302 12.354 0.636 1.00 0.00 H new ATOM 549 N LEU A 35 -0.595 11.618 0.611 1.00 0.00 N ATOM 550 CA LEU A 35 0.743 11.529 0.040 1.00 0.00 C ATOM 551 C LEU A 35 0.743 11.957 -1.424 1.00 0.00 C ATOM 552 O LEU A 35 -0.185 11.648 -2.172 1.00 0.00 O ATOM 553 CB LEU A 35 1.278 10.102 0.166 1.00 0.00 C ATOM 554 CG LEU A 35 0.469 9.184 1.084 1.00 0.00 C ATOM 555 CD1 LEU A 35 1.094 7.800 1.143 1.00 0.00 C ATOM 556 CD2 LEU A 35 0.365 9.785 2.479 1.00 0.00 C ATOM 0 H LEU A 35 -1.002 10.720 0.874 1.00 0.00 H new ATOM 0 HA LEU A 35 1.393 12.205 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.315 9.655 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.303 10.146 0.534 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.537 9.087 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.504 7.162 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.116 7.368 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.111 7.876 1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.214 9.120 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.364 9.912 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.130 10.754 2.422 1.00 0.00 H new ATOM 568 N ASN A 36 1.792 12.666 -1.827 1.00 0.00 N ATOM 569 CA ASN A 36 1.917 13.135 -3.203 1.00 0.00 C ATOM 570 C ASN A 36 1.553 12.027 -4.186 1.00 0.00 C ATOM 571 O ASN A 36 1.215 10.914 -3.783 1.00 0.00 O ATOM 572 CB ASN A 36 3.342 13.622 -3.467 1.00 0.00 C ATOM 573 CG ASN A 36 3.468 14.360 -4.784 1.00 0.00 C ATOM 574 OD1 ASN A 36 3.176 15.552 -4.873 1.00 0.00 O ATOM 575 ND2 ASN A 36 3.905 13.650 -5.815 1.00 0.00 N ATOM 0 H ASN A 36 2.569 12.929 -1.220 1.00 0.00 H new ATOM 0 HA ASN A 36 1.225 13.965 -3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.654 14.279 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.020 12.769 -3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.011 14.090 -6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.135 12.664 -5.694 1.00 0.00 H new ATOM 582 N SER A 37 1.630 12.334 -5.477 1.00 0.00 N ATOM 583 CA SER A 37 1.313 11.358 -6.511 1.00 0.00 C ATOM 584 C SER A 37 2.296 10.200 -6.469 1.00 0.00 C ATOM 585 O SER A 37 1.917 9.049 -6.245 1.00 0.00 O ATOM 586 CB SER A 37 1.337 12.016 -7.892 1.00 0.00 C ATOM 587 OG SER A 37 0.864 13.350 -7.829 1.00 0.00 O ATOM 0 H SER A 37 1.909 13.249 -5.831 1.00 0.00 H new ATOM 0 HA SER A 37 0.311 10.973 -6.323 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.353 12.005 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.721 11.441 -8.583 1.00 0.00 H new ATOM 592 N LEU A 38 3.560 10.520 -6.679 1.00 0.00 N ATOM 593 CA LEU A 38 4.618 9.520 -6.663 1.00 0.00 C ATOM 594 C LEU A 38 4.674 8.822 -5.308 1.00 0.00 C ATOM 595 O LEU A 38 5.311 7.778 -5.158 1.00 0.00 O ATOM 596 CB LEU A 38 5.967 10.166 -6.993 1.00 0.00 C ATOM 597 CG LEU A 38 6.634 10.934 -5.854 1.00 0.00 C ATOM 598 CD1 LEU A 38 7.167 12.267 -6.355 1.00 0.00 C ATOM 599 CD2 LEU A 38 5.668 11.146 -4.701 1.00 0.00 C ATOM 0 H LEU A 38 3.882 11.470 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 38 4.399 8.771 -7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.650 9.385 -7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.826 10.848 -7.832 1.00 0.00 H new ATOM 0 HG LEU A 38 7.471 10.339 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.639 12.803 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.900 12.093 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.344 12.862 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.168 11.695 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.806 11.716 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.335 10.179 -4.323 1.00 0.00 H new ATOM 611 N ASP A 39 3.991 9.401 -4.326 1.00 0.00 N ATOM 612 CA ASP A 39 3.950 8.836 -2.986 1.00 0.00 C ATOM 613 C ASP A 39 3.003 7.649 -2.944 1.00 0.00 C ATOM 614 O ASP A 39 3.418 6.502 -3.095 1.00 0.00 O ATOM 615 CB ASP A 39 3.507 9.895 -1.974 1.00 0.00 C ATOM 616 CG ASP A 39 4.647 10.800 -1.550 1.00 0.00 C ATOM 617 OD1 ASP A 39 5.132 11.581 -2.397 1.00 0.00 O ATOM 618 OD2 ASP A 39 5.054 10.732 -0.372 1.00 0.00 O ATOM 0 H ASP A 39 3.458 10.263 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 39 4.952 8.497 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.710 10.498 -2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.091 9.403 -1.095 1.00 0.00 H new ATOM 623 N VAL A 40 1.727 7.938 -2.748 1.00 0.00 N ATOM 624 CA VAL A 40 0.710 6.897 -2.696 1.00 0.00 C ATOM 625 C VAL A 40 1.015 5.796 -3.705 1.00 0.00 C ATOM 626 O VAL A 40 0.709 4.627 -3.474 1.00 0.00 O ATOM 627 CB VAL A 40 -0.693 7.465 -2.979 1.00 0.00 C ATOM 628 CG1 VAL A 40 -1.135 7.124 -4.394 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.695 6.944 -1.959 1.00 0.00 C ATOM 0 H VAL A 40 1.369 8.885 -2.622 1.00 0.00 H new ATOM 0 HA VAL A 40 0.724 6.484 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.649 8.551 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.129 7.534 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.431 7.552 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.162 6.041 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.681 7.356 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.736 5.856 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.386 7.246 -0.958 1.00 0.00 H new ATOM 639 N VAL A 41 1.623 6.181 -4.824 1.00 0.00 N ATOM 640 CA VAL A 41 1.972 5.230 -5.871 1.00 0.00 C ATOM 641 C VAL A 41 3.038 4.249 -5.394 1.00 0.00 C ATOM 642 O VAL A 41 2.931 3.044 -5.618 1.00 0.00 O ATOM 643 CB VAL A 41 2.480 5.945 -7.135 1.00 0.00 C ATOM 644 CG1 VAL A 41 2.654 4.954 -8.277 1.00 0.00 C ATOM 645 CG2 VAL A 41 1.532 7.066 -7.532 1.00 0.00 C ATOM 0 H VAL A 41 1.884 7.146 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 41 1.061 4.683 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 41 3.453 6.384 -6.915 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.014 5.478 -9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.376 4.190 -7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.697 4.483 -8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.908 7.560 -8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.544 6.653 -7.733 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.464 7.790 -6.720 1.00 0.00 H new ATOM 655 N GLU A 42 4.069 4.771 -4.736 1.00 0.00 N ATOM 656 CA GLU A 42 5.150 3.935 -4.233 1.00 0.00 C ATOM 657 C GLU A 42 4.679 3.088 -3.060 1.00 0.00 C ATOM 658 O GLU A 42 5.013 1.909 -2.952 1.00 0.00 O ATOM 659 CB GLU A 42 6.341 4.799 -3.814 1.00 0.00 C ATOM 660 CG GLU A 42 7.293 5.111 -4.955 1.00 0.00 C ATOM 661 CD GLU A 42 8.728 5.264 -4.492 1.00 0.00 C ATOM 662 OE1 GLU A 42 9.073 6.349 -3.978 1.00 0.00 O ATOM 663 OE2 GLU A 42 9.507 4.300 -4.644 1.00 0.00 O ATOM 0 H GLU A 42 4.177 5.766 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 42 5.464 3.267 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.971 5.734 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.890 4.288 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.238 4.315 -5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.974 6.029 -5.448 1.00 0.00 H new ATOM 670 N VAL A 43 3.899 3.704 -2.187 1.00 0.00 N ATOM 671 CA VAL A 43 3.368 3.024 -1.016 1.00 0.00 C ATOM 672 C VAL A 43 2.402 1.922 -1.419 1.00 0.00 C ATOM 673 O VAL A 43 2.373 0.850 -0.815 1.00 0.00 O ATOM 674 CB VAL A 43 2.649 4.009 -0.076 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.296 5.290 -0.815 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.413 3.372 0.523 1.00 0.00 C ATOM 0 H VAL A 43 3.618 4.681 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 43 4.215 2.585 -0.488 1.00 0.00 H new ATOM 0 HB VAL A 43 3.326 4.263 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.788 5.974 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.207 5.758 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.639 5.057 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.920 4.085 1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.729 3.084 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.699 2.488 1.092 1.00 0.00 H new ATOM 686 N VAL A 44 1.618 2.191 -2.452 1.00 0.00 N ATOM 687 CA VAL A 44 0.654 1.221 -2.951 1.00 0.00 C ATOM 688 C VAL A 44 1.365 -0.036 -3.432 1.00 0.00 C ATOM 689 O VAL A 44 0.915 -1.153 -3.177 1.00 0.00 O ATOM 690 CB VAL A 44 -0.193 1.798 -4.100 1.00 0.00 C ATOM 691 CG1 VAL A 44 -1.156 2.852 -3.579 1.00 0.00 C ATOM 692 CG2 VAL A 44 0.700 2.375 -5.188 1.00 0.00 C ATOM 0 H VAL A 44 1.630 3.074 -2.962 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.012 0.974 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.778 0.987 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.745 3.247 -4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.821 2.404 -2.841 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.593 3.662 -3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.082 2.778 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.315 3.172 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.344 1.590 -5.585 1.00 0.00 H new ATOM 702 N PHE A 45 2.487 0.154 -4.121 1.00 0.00 N ATOM 703 CA PHE A 45 3.267 -0.965 -4.625 1.00 0.00 C ATOM 704 C PHE A 45 3.877 -1.744 -3.467 1.00 0.00 C ATOM 705 O PHE A 45 4.151 -2.939 -3.579 1.00 0.00 O ATOM 706 CB PHE A 45 4.368 -0.470 -5.565 1.00 0.00 C ATOM 707 CG PHE A 45 3.877 -0.148 -6.947 1.00 0.00 C ATOM 708 CD1 PHE A 45 3.474 -1.158 -7.805 1.00 0.00 C ATOM 709 CD2 PHE A 45 3.816 1.165 -7.388 1.00 0.00 C ATOM 710 CE1 PHE A 45 3.021 -0.866 -9.078 1.00 0.00 C ATOM 711 CE2 PHE A 45 3.364 1.463 -8.659 1.00 0.00 C ATOM 712 CZ PHE A 45 2.967 0.446 -9.506 1.00 0.00 C ATOM 0 H PHE A 45 2.873 1.072 -4.341 1.00 0.00 H new ATOM 0 HA PHE A 45 2.604 -1.625 -5.184 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.828 0.420 -5.135 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.146 -1.231 -5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.514 -2.186 -7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.125 1.964 -6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.710 -1.663 -9.737 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.321 2.490 -8.990 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.615 0.677 -10.501 1.00 0.00 H new ATOM 722 N ALA A 46 4.081 -1.052 -2.352 1.00 0.00 N ATOM 723 CA ALA A 46 4.650 -1.662 -1.161 1.00 0.00 C ATOM 724 C ALA A 46 3.692 -2.681 -0.559 1.00 0.00 C ATOM 725 O ALA A 46 3.806 -3.883 -0.800 1.00 0.00 O ATOM 726 CB ALA A 46 4.997 -0.592 -0.136 1.00 0.00 C ATOM 0 H ALA A 46 3.858 -0.062 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 46 5.563 -2.184 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.422 -1.062 0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.723 0.100 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.095 -0.046 0.140 1.00 0.00 H new ATOM 732 N ILE A 47 2.745 -2.184 0.221 1.00 0.00 N ATOM 733 CA ILE A 47 1.754 -3.039 0.861 1.00 0.00 C ATOM 734 C ILE A 47 1.168 -4.034 -0.133 1.00 0.00 C ATOM 735 O ILE A 47 0.910 -5.191 0.205 1.00 0.00 O ATOM 736 CB ILE A 47 0.611 -2.210 1.477 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.554 -0.824 0.832 1.00 0.00 C ATOM 738 CG2 ILE A 47 0.791 -2.098 2.983 1.00 0.00 C ATOM 739 CD1 ILE A 47 1.190 0.264 1.671 1.00 0.00 C ATOM 0 H ILE A 47 2.641 -1.191 0.427 1.00 0.00 H new ATOM 0 HA ILE A 47 2.267 -3.581 1.656 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.334 -2.717 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.053 -0.863 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.487 -0.563 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.024 -1.510 3.404 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.785 -3.094 3.425 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.741 -1.610 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.112 1.218 1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.676 0.331 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.241 0.027 1.838 1.00 0.00 H new ATOM 751 N GLU A 48 0.969 -3.584 -1.367 1.00 0.00 N ATOM 752 CA GLU A 48 0.422 -4.450 -2.401 1.00 0.00 C ATOM 753 C GLU A 48 1.276 -5.700 -2.525 1.00 0.00 C ATOM 754 O GLU A 48 0.770 -6.800 -2.751 1.00 0.00 O ATOM 755 CB GLU A 48 0.358 -3.715 -3.740 1.00 0.00 C ATOM 756 CG GLU A 48 -0.781 -2.712 -3.827 1.00 0.00 C ATOM 757 CD GLU A 48 -1.149 -2.130 -2.477 1.00 0.00 C ATOM 758 OE1 GLU A 48 -1.516 -2.911 -1.574 1.00 0.00 O ATOM 759 OE2 GLU A 48 -1.072 -0.893 -2.323 1.00 0.00 O ATOM 0 H GLU A 48 1.177 -2.633 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.592 -4.736 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.302 -3.196 -3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.250 -4.446 -4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.498 -1.904 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.656 -3.198 -4.260 1.00 0.00 H new ATOM 766 N GLN A 49 2.576 -5.520 -2.346 1.00 0.00 N ATOM 767 CA GLN A 49 3.517 -6.626 -2.407 1.00 0.00 C ATOM 768 C GLN A 49 3.282 -7.566 -1.233 1.00 0.00 C ATOM 769 O GLN A 49 3.351 -8.787 -1.377 1.00 0.00 O ATOM 770 CB GLN A 49 4.956 -6.109 -2.389 1.00 0.00 C ATOM 771 CG GLN A 49 5.725 -6.405 -3.667 1.00 0.00 C ATOM 772 CD GLN A 49 7.059 -5.687 -3.725 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.061 -6.249 -4.167 1.00 0.00 O ATOM 774 NE2 GLN A 49 7.077 -4.436 -3.278 1.00 0.00 N ATOM 0 H GLN A 49 3.004 -4.614 -2.157 1.00 0.00 H new ATOM 0 HA GLN A 49 3.360 -7.170 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.944 -5.032 -2.223 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.483 -6.556 -1.546 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.891 -7.479 -3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.121 -6.112 -4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.222 -4.010 -2.920 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.946 -3.902 -3.293 1.00 0.00 H new ATOM 783 N GLU A 50 2.992 -6.985 -0.070 1.00 0.00 N ATOM 784 CA GLU A 50 2.734 -7.765 1.124 1.00 0.00 C ATOM 785 C GLU A 50 1.236 -7.829 1.414 1.00 0.00 C ATOM 786 O GLU A 50 0.814 -7.848 2.570 1.00 0.00 O ATOM 787 CB GLU A 50 3.476 -7.163 2.320 1.00 0.00 C ATOM 788 CG GLU A 50 3.249 -7.912 3.625 1.00 0.00 C ATOM 789 CD GLU A 50 4.277 -9.002 3.857 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.713 -9.627 2.868 1.00 0.00 O ATOM 791 OE2 GLU A 50 4.645 -9.231 5.028 1.00 0.00 O ATOM 0 H GLU A 50 2.931 -5.976 0.064 1.00 0.00 H new ATOM 0 HA GLU A 50 3.097 -8.779 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.544 -7.147 2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.161 -6.127 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.279 -7.206 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.252 -8.353 3.618 1.00 0.00 H new ATOM 798 N PHE A 51 0.441 -7.862 0.351 1.00 0.00 N ATOM 799 CA PHE A 51 -1.007 -7.926 0.477 1.00 0.00 C ATOM 800 C PHE A 51 -1.638 -8.832 -0.587 1.00 0.00 C ATOM 801 O PHE A 51 -2.803 -9.213 -0.466 1.00 0.00 O ATOM 802 CB PHE A 51 -1.612 -6.524 0.396 1.00 0.00 C ATOM 803 CG PHE A 51 -1.481 -5.742 1.672 1.00 0.00 C ATOM 804 CD1 PHE A 51 -1.190 -6.381 2.867 1.00 0.00 C ATOM 805 CD2 PHE A 51 -1.647 -4.367 1.674 1.00 0.00 C ATOM 806 CE1 PHE A 51 -1.067 -5.662 4.040 1.00 0.00 C ATOM 807 CE2 PHE A 51 -1.525 -3.643 2.845 1.00 0.00 C ATOM 808 CZ PHE A 51 -1.234 -4.291 4.030 1.00 0.00 C ATOM 0 H PHE A 51 0.778 -7.845 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.227 -8.359 1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.127 -5.973 -0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.667 -6.606 0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.058 -7.453 2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.874 -3.855 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.840 -6.172 4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.657 -2.571 2.834 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.137 -3.727 4.946 1.00 0.00 H new ATOM 818 N ILE A 52 -0.875 -9.180 -1.622 1.00 0.00 N ATOM 819 CA ILE A 52 -1.380 -10.040 -2.686 1.00 0.00 C ATOM 820 C ILE A 52 -2.506 -9.366 -3.460 1.00 0.00 C ATOM 821 O ILE A 52 -3.442 -10.024 -3.915 1.00 0.00 O ATOM 822 CB ILE A 52 -1.892 -11.382 -2.128 1.00 0.00 C ATOM 823 CG1 ILE A 52 -1.335 -11.625 -0.727 1.00 0.00 C ATOM 824 CG2 ILE A 52 -1.516 -12.524 -3.061 1.00 0.00 C ATOM 825 CD1 ILE A 52 -2.403 -11.689 0.342 1.00 0.00 C ATOM 0 H ILE A 52 0.092 -8.880 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.543 -10.226 -3.360 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.979 -11.338 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.773 -12.559 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.632 -10.829 -0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.885 -13.465 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.962 -12.355 -4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.431 -12.572 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.937 -11.864 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.950 -10.746 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.093 -12.503 0.119 1.00 0.00 H new ATOM 837 N LEU A 53 -2.406 -8.050 -3.613 1.00 0.00 N ATOM 838 CA LEU A 53 -3.411 -7.287 -4.339 1.00 0.00 C ATOM 839 C LEU A 53 -2.917 -5.875 -4.630 1.00 0.00 C ATOM 840 O LEU A 53 -2.358 -5.209 -3.759 1.00 0.00 O ATOM 841 CB LEU A 53 -4.716 -7.233 -3.542 1.00 0.00 C ATOM 842 CG LEU A 53 -5.981 -7.057 -4.384 1.00 0.00 C ATOM 843 CD1 LEU A 53 -5.791 -7.663 -5.766 1.00 0.00 C ATOM 844 CD2 LEU A 53 -7.176 -7.686 -3.684 1.00 0.00 C ATOM 0 H LEU A 53 -1.638 -7.490 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.596 -7.789 -5.289 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.808 -8.151 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.655 -6.411 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.172 -5.990 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.701 -7.528 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.960 -7.168 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.576 -8.727 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.068 -7.552 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.993 -8.750 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.325 -7.207 -2.716 1.00 0.00 H new ATOM 856 N ASP A 54 -3.126 -5.423 -5.864 1.00 0.00 N ATOM 857 CA ASP A 54 -2.702 -4.095 -6.274 1.00 0.00 C ATOM 858 C ASP A 54 -3.701 -3.037 -5.819 1.00 0.00 C ATOM 859 O ASP A 54 -4.911 -3.265 -5.828 1.00 0.00 O ATOM 860 CB ASP A 54 -2.534 -4.036 -7.793 1.00 0.00 C ATOM 861 CG ASP A 54 -1.596 -5.108 -8.313 1.00 0.00 C ATOM 862 OD1 ASP A 54 -0.420 -5.124 -7.891 1.00 0.00 O ATOM 863 OD2 ASP A 54 -2.037 -5.931 -9.142 1.00 0.00 O ATOM 0 H ASP A 54 -3.588 -5.962 -6.596 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.742 -3.887 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.509 -4.148 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.152 -3.055 -8.076 1.00 0.00 H new ATOM 868 N ILE A 55 -3.188 -1.877 -5.421 1.00 0.00 N ATOM 869 CA ILE A 55 -4.032 -0.785 -4.965 1.00 0.00 C ATOM 870 C ILE A 55 -4.229 0.259 -6.060 1.00 0.00 C ATOM 871 O ILE A 55 -5.310 0.832 -6.197 1.00 0.00 O ATOM 872 CB ILE A 55 -3.441 -0.100 -3.718 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.784 -0.898 -2.460 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.959 1.327 -3.604 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.328 -0.233 -1.178 1.00 0.00 C ATOM 0 H ILE A 55 -2.189 -1.672 -5.406 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.997 -1.221 -4.708 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.356 -0.067 -3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.863 -1.048 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.327 -1.885 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.533 1.799 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.669 1.891 -4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.046 1.314 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.605 -0.855 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.245 -0.107 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.805 0.743 -1.085 1.00 0.00 H new ATOM 887 N PRO A 56 -3.181 0.518 -6.857 1.00 0.00 N ATOM 888 CA PRO A 56 -3.236 1.497 -7.945 1.00 0.00 C ATOM 889 C PRO A 56 -4.462 1.309 -8.833 1.00 0.00 C ATOM 890 O PRO A 56 -5.405 0.609 -8.466 1.00 0.00 O ATOM 891 CB PRO A 56 -1.957 1.217 -8.734 1.00 0.00 C ATOM 892 CG PRO A 56 -1.013 0.648 -7.732 1.00 0.00 C ATOM 893 CD PRO A 56 -1.858 -0.126 -6.756 1.00 0.00 C ATOM 0 HA PRO A 56 -3.310 2.519 -7.572 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.140 0.516 -9.549 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.559 2.128 -9.180 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.279 0.000 -8.212 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.458 1.438 -7.226 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.906 -1.183 -7.017 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.459 -0.065 -5.744 1.00 0.00 H new ATOM 901 N ASP A 57 -4.442 1.942 -10.002 1.00 0.00 N ATOM 902 CA ASP A 57 -5.552 1.847 -10.941 1.00 0.00 C ATOM 903 C ASP A 57 -6.831 2.407 -10.329 1.00 0.00 C ATOM 904 O ASP A 57 -6.850 2.809 -9.166 1.00 0.00 O ATOM 905 CB ASP A 57 -5.768 0.391 -11.360 1.00 0.00 C ATOM 906 CG ASP A 57 -4.542 -0.211 -12.014 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.481 -0.261 -11.355 1.00 0.00 O ATOM 908 OD2 ASP A 57 -4.639 -0.634 -13.185 1.00 0.00 O ATOM 0 H ASP A 57 -3.669 2.526 -10.321 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.303 2.439 -11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.036 -0.200 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.609 0.336 -12.051 1.00 0.00 H new ATOM 913 N HIS A 58 -7.898 2.433 -11.121 1.00 0.00 N ATOM 914 CA HIS A 58 -9.182 2.944 -10.656 1.00 0.00 C ATOM 915 C HIS A 58 -9.435 2.538 -9.208 1.00 0.00 C ATOM 916 O HIS A 58 -10.179 3.204 -8.487 1.00 0.00 O ATOM 917 CB HIS A 58 -10.313 2.430 -11.548 1.00 0.00 C ATOM 918 CG HIS A 58 -9.875 1.387 -12.528 1.00 0.00 C ATOM 919 ND1 HIS A 58 -10.113 1.478 -13.883 1.00 0.00 N ATOM 920 CD2 HIS A 58 -9.206 0.223 -12.343 1.00 0.00 C ATOM 921 CE1 HIS A 58 -9.613 0.417 -14.489 1.00 0.00 C ATOM 922 NE2 HIS A 58 -9.056 -0.359 -13.577 1.00 0.00 N ATOM 0 H HIS A 58 -7.899 2.106 -12.087 1.00 0.00 H new ATOM 0 HA HIS A 58 -9.154 4.032 -10.710 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.102 2.017 -10.919 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.746 3.269 -12.092 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.856 -0.173 -11.401 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -9.653 0.218 -15.550 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -8.590 -1.247 -13.760 1.00 0.00 H new ATOM 931 N ASP A 59 -8.811 1.442 -8.788 1.00 0.00 N ATOM 932 CA ASP A 59 -8.969 0.946 -7.427 1.00 0.00 C ATOM 933 C ASP A 59 -8.453 1.963 -6.414 1.00 0.00 C ATOM 934 O ASP A 59 -9.103 2.232 -5.403 1.00 0.00 O ATOM 935 CB ASP A 59 -8.231 -0.382 -7.255 1.00 0.00 C ATOM 936 CG ASP A 59 -9.111 -1.577 -7.561 1.00 0.00 C ATOM 937 OD1 ASP A 59 -10.072 -1.816 -6.800 1.00 0.00 O ATOM 938 OD2 ASP A 59 -8.840 -2.276 -8.560 1.00 0.00 O ATOM 0 H ASP A 59 -8.191 0.881 -9.372 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.032 0.787 -7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.361 -0.398 -7.911 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.861 -0.459 -6.233 1.00 0.00 H new ATOM 943 N ALA A 60 -7.280 2.524 -6.690 1.00 0.00 N ATOM 944 CA ALA A 60 -6.679 3.510 -5.803 1.00 0.00 C ATOM 945 C ALA A 60 -7.386 4.853 -5.916 1.00 0.00 C ATOM 946 O ALA A 60 -7.377 5.654 -4.980 1.00 0.00 O ATOM 947 CB ALA A 60 -5.196 3.662 -6.110 1.00 0.00 C ATOM 0 H ALA A 60 -6.728 2.312 -7.521 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.791 3.157 -4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.760 4.402 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.695 2.704 -5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.070 3.989 -7.142 1.00 0.00 H new ATOM 953 N GLU A 61 -7.998 5.093 -7.069 1.00 0.00 N ATOM 954 CA GLU A 61 -8.712 6.337 -7.313 1.00 0.00 C ATOM 955 C GLU A 61 -10.088 6.313 -6.655 1.00 0.00 C ATOM 956 O GLU A 61 -10.644 7.359 -6.317 1.00 0.00 O ATOM 957 CB GLU A 61 -8.855 6.582 -8.815 1.00 0.00 C ATOM 958 CG GLU A 61 -7.536 6.868 -9.514 1.00 0.00 C ATOM 959 CD GLU A 61 -6.807 8.056 -8.919 1.00 0.00 C ATOM 960 OE1 GLU A 61 -7.474 9.063 -8.602 1.00 0.00 O ATOM 961 OE2 GLU A 61 -5.569 7.979 -8.769 1.00 0.00 O ATOM 0 H GLU A 61 -8.013 4.439 -7.852 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.134 7.150 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.318 5.709 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.531 7.422 -8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.898 5.987 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.722 7.053 -10.572 1.00 0.00 H new ATOM 968 N LYS A 62 -10.634 5.114 -6.481 1.00 0.00 N ATOM 969 CA LYS A 62 -11.944 4.952 -5.867 1.00 0.00 C ATOM 970 C LYS A 62 -11.882 5.220 -4.367 1.00 0.00 C ATOM 971 O LYS A 62 -12.907 5.227 -3.685 1.00 0.00 O ATOM 972 CB LYS A 62 -12.480 3.544 -6.124 1.00 0.00 C ATOM 973 CG LYS A 62 -13.331 3.435 -7.379 1.00 0.00 C ATOM 974 CD LYS A 62 -14.120 2.137 -7.407 1.00 0.00 C ATOM 975 CE LYS A 62 -13.366 1.042 -8.144 1.00 0.00 C ATOM 976 NZ LYS A 62 -13.228 -0.191 -7.320 1.00 0.00 N ATOM 0 H LYS A 62 -10.187 4.240 -6.758 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.620 5.679 -6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.640 2.854 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.072 3.228 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.018 4.280 -7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.691 3.492 -8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.327 1.814 -6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.083 2.306 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.888 0.803 -9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.377 1.406 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.708 -0.913 -7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.707 0.031 -6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.172 -0.554 -7.077 1.00 0.00 H new ATOM 990 N ILE A 63 -10.673 5.439 -3.858 1.00 0.00 N ATOM 991 CA ILE A 63 -10.480 5.705 -2.443 1.00 0.00 C ATOM 992 C ILE A 63 -10.142 7.171 -2.199 1.00 0.00 C ATOM 993 O ILE A 63 -9.160 7.689 -2.732 1.00 0.00 O ATOM 994 CB ILE A 63 -9.360 4.825 -1.854 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.818 4.189 -0.541 1.00 0.00 C ATOM 996 CG2 ILE A 63 -8.097 5.645 -1.640 1.00 0.00 C ATOM 997 CD1 ILE A 63 -9.644 2.687 -0.504 1.00 0.00 C ATOM 0 H ILE A 63 -9.814 5.437 -4.408 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.420 5.466 -1.945 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.135 4.028 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.258 4.632 0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.869 4.429 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.316 5.009 -1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.762 6.053 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.306 6.462 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.989 2.304 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.226 2.233 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.591 2.439 -0.636 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.961 7.835 -1.391 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.754 9.235 -1.075 1.00 0.00 C ATOM 1011 C GLN A 64 -10.515 9.431 0.419 1.00 0.00 C ATOM 1012 O GLN A 64 -10.091 10.501 0.853 1.00 0.00 O ATOM 1013 CB GLN A 64 -11.954 10.068 -1.529 1.00 0.00 C ATOM 1014 CG GLN A 64 -12.413 9.754 -2.943 1.00 0.00 C ATOM 1015 CD GLN A 64 -13.688 8.934 -2.973 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -14.773 9.461 -3.222 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -13.565 7.637 -2.718 1.00 0.00 N ATOM 0 H GLN A 64 -11.778 7.419 -0.943 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.866 9.572 -1.610 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.783 9.900 -0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.696 11.125 -1.466 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.572 10.686 -3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.624 9.212 -3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.647 7.242 -2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.389 7.036 -2.724 1.00 0.00 H new ATOM 1026 N SER A 65 -10.796 8.392 1.200 1.00 0.00 N ATOM 1027 CA SER A 65 -10.614 8.454 2.645 1.00 0.00 C ATOM 1028 C SER A 65 -9.521 7.494 3.103 1.00 0.00 C ATOM 1029 O SER A 65 -9.311 6.441 2.500 1.00 0.00 O ATOM 1030 CB SER A 65 -11.927 8.125 3.359 1.00 0.00 C ATOM 1031 OG SER A 65 -13.040 8.376 2.520 1.00 0.00 O ATOM 0 H SER A 65 -11.150 7.499 0.857 1.00 0.00 H new ATOM 0 HA SER A 65 -10.310 9.469 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.926 7.079 3.664 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.010 8.722 4.267 1.00 0.00 H new ATOM 0 HG SER A 65 -13.867 8.156 2.999 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.829 7.865 4.175 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.757 7.041 4.719 1.00 0.00 C ATOM 1039 C ILE A 66 -8.281 5.687 5.187 1.00 0.00 C ATOM 1040 O ILE A 66 -7.681 4.648 4.906 1.00 0.00 O ATOM 1041 CB ILE A 66 -7.055 7.740 5.899 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -6.732 9.192 5.541 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.789 6.989 6.283 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -5.351 9.376 4.952 1.00 0.00 C ATOM 0 H ILE A 66 -8.992 8.733 4.685 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.039 6.890 3.913 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.729 7.738 6.756 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.473 9.556 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.821 9.807 6.436 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.305 7.495 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.045 5.970 6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.109 6.962 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.191 10.429 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.602 9.043 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.264 8.788 4.038 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.413 5.680 5.910 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.020 4.447 6.420 1.00 0.00 C ATOM 1058 C PRO A 67 -10.241 3.415 5.319 1.00 0.00 C ATOM 1059 O PRO A 67 -9.472 2.465 5.184 1.00 0.00 O ATOM 1060 CB PRO A 67 -11.364 4.906 7.004 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.563 6.299 6.507 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.191 6.864 6.289 1.00 0.00 C ATOM 0 HA PRO A 67 -9.378 3.956 7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.175 4.254 6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.348 4.877 8.094 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.138 6.304 5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.119 6.895 7.231 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.184 7.621 5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.799 7.335 7.190 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.294 3.608 4.532 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.610 2.691 3.443 1.00 0.00 C ATOM 1072 C ASP A 68 -10.342 2.265 2.710 1.00 0.00 C ATOM 1073 O ASP A 68 -10.316 1.231 2.043 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.586 3.344 2.463 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.874 2.558 2.320 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -14.427 2.132 3.356 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.330 2.369 1.173 1.00 0.00 O ATOM 0 H ASP A 68 -11.942 4.390 4.628 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.078 1.804 3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.816 4.354 2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.109 3.436 1.487 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.296 3.071 2.839 1.00 0.00 N ATOM 1083 CA ALA A 69 -8.022 2.787 2.192 1.00 0.00 C ATOM 1084 C ALA A 69 -7.388 1.520 2.752 1.00 0.00 C ATOM 1085 O ALA A 69 -7.507 0.441 2.172 1.00 0.00 O ATOM 1086 CB ALA A 69 -7.076 3.966 2.351 1.00 0.00 C ATOM 0 H ALA A 69 -9.306 3.930 3.388 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.212 2.626 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.128 3.740 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.518 4.851 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.903 4.153 3.411 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.713 1.667 3.882 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.049 0.544 4.530 1.00 0.00 C ATOM 1094 C VAL A 70 -7.060 -0.482 5.025 1.00 0.00 C ATOM 1095 O VAL A 70 -6.706 -1.624 5.322 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.186 1.011 5.717 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -5.906 2.091 6.510 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.825 -0.166 6.611 1.00 0.00 C ATOM 0 H VAL A 70 -6.610 2.556 4.371 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.405 0.083 3.781 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.262 1.436 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.280 2.408 7.344 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.107 2.945 5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.847 1.696 6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.215 0.183 7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.736 -0.624 6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.264 -0.902 6.035 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.320 -0.072 5.109 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.383 -0.956 5.565 1.00 0.00 C ATOM 1110 C GLU A 71 -9.624 -2.076 4.559 1.00 0.00 C ATOM 1111 O GLU A 71 -9.631 -3.254 4.916 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.674 -0.166 5.785 1.00 0.00 C ATOM 1113 CG GLU A 71 -10.738 0.532 7.134 1.00 0.00 C ATOM 1114 CD GLU A 71 -10.665 -0.439 8.296 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -9.592 -1.046 8.497 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -11.682 -0.593 9.005 1.00 0.00 O ATOM 0 H GLU A 71 -8.630 0.869 4.867 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.073 -1.400 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.774 0.578 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.524 -0.842 5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.917 1.245 7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.664 1.103 7.200 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.819 -1.699 3.299 1.00 0.00 N ATOM 1124 CA TYR A 72 -10.059 -2.670 2.240 1.00 0.00 C ATOM 1125 C TYR A 72 -8.832 -3.541 2.012 1.00 0.00 C ATOM 1126 O TYR A 72 -8.943 -4.744 1.774 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.443 -1.957 0.941 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.457 -2.176 -0.183 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -8.363 -1.334 -0.348 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -9.619 -3.223 -1.081 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.460 -1.531 -1.376 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -8.720 -3.426 -2.111 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.643 -2.577 -2.254 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.746 -2.776 -3.277 1.00 0.00 O ATOM 0 H TYR A 72 -9.815 -0.728 2.988 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.884 -3.311 2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.426 -2.303 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.529 -0.888 1.135 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.216 -0.513 0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.462 -3.890 -0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.615 -0.868 -1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.860 -4.245 -2.800 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.019 -3.556 -3.804 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.662 -2.923 2.088 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.407 -3.634 1.893 1.00 0.00 C ATOM 1146 C ILE A 73 -6.168 -4.647 3.002 1.00 0.00 C ATOM 1147 O ILE A 73 -5.869 -5.811 2.743 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.214 -2.672 1.828 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -5.577 -1.417 1.031 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -4.006 -3.364 1.215 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.890 -0.164 1.530 1.00 0.00 C ATOM 0 H ILE A 73 -7.556 -1.928 2.284 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.491 -4.156 0.940 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.959 -2.370 2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.315 -1.573 -0.016 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.656 -1.270 1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.168 -2.667 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.733 -4.226 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.250 -3.695 0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.194 0.686 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.171 0.016 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.809 -0.291 1.464 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.308 -4.194 4.235 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.114 -5.056 5.395 1.00 0.00 C ATOM 1165 C ALA A 74 -6.997 -6.290 5.301 1.00 0.00 C ATOM 1166 O ALA A 74 -6.587 -7.396 5.657 1.00 0.00 O ATOM 1167 CB ALA A 74 -6.398 -4.291 6.679 1.00 0.00 C ATOM 0 H ALA A 74 -6.556 -3.231 4.463 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.074 -5.382 5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.249 -4.949 7.535 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.721 -3.440 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.428 -3.935 6.670 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.212 -6.088 4.816 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.166 -7.170 4.667 1.00 0.00 C ATOM 1175 C GLN A 75 -8.863 -7.982 3.414 1.00 0.00 C ATOM 1176 O GLN A 75 -9.332 -9.110 3.264 1.00 0.00 O ATOM 1177 CB GLN A 75 -10.592 -6.620 4.603 1.00 0.00 C ATOM 1178 CG GLN A 75 -10.975 -5.779 5.810 1.00 0.00 C ATOM 1179 CD GLN A 75 -10.311 -6.257 7.087 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -10.342 -7.445 7.409 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -9.708 -5.331 7.823 1.00 0.00 N ATOM 0 H GLN A 75 -8.560 -5.177 4.518 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.080 -7.823 5.535 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.700 -6.017 3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.290 -7.453 4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.698 -4.741 5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.057 -5.803 5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -9.707 -4.358 7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -9.246 -5.593 8.694 1.00 0.00 H new ATOM 1190 N ASN A 76 -8.068 -7.403 2.517 1.00 0.00 N ATOM 1191 CA ASN A 76 -7.698 -8.081 1.284 1.00 0.00 C ATOM 1192 C ASN A 76 -6.905 -9.348 1.594 1.00 0.00 C ATOM 1193 O ASN A 76 -7.394 -10.459 1.387 1.00 0.00 O ATOM 1194 CB ASN A 76 -6.888 -7.151 0.378 1.00 0.00 C ATOM 1195 CG ASN A 76 -7.746 -6.473 -0.668 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -7.303 -6.218 -1.787 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -8.980 -6.178 -0.300 1.00 0.00 N ATOM 0 H ASN A 76 -7.671 -6.470 2.623 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.610 -8.361 0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -6.396 -6.393 0.987 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.102 -7.723 -0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.612 -5.718 -0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.301 -6.410 0.640 1.00 0.00 H new ATOM 1204 N PRO A 77 -5.670 -9.201 2.106 1.00 0.00 N ATOM 1205 CA PRO A 77 -4.822 -10.345 2.453 1.00 0.00 C ATOM 1206 C PRO A 77 -5.402 -11.149 3.611 1.00 0.00 C ATOM 1207 O PRO A 77 -5.280 -12.373 3.652 1.00 0.00 O ATOM 1208 CB PRO A 77 -3.487 -9.709 2.867 1.00 0.00 C ATOM 1209 CG PRO A 77 -3.553 -8.297 2.394 1.00 0.00 C ATOM 1210 CD PRO A 77 -5.007 -7.925 2.394 1.00 0.00 C ATOM 0 HA PRO A 77 -4.728 -11.044 1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.349 -9.755 3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.646 -10.235 2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.983 -7.639 3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.126 -8.200 1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.319 -7.515 3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.232 -7.173 1.638 1.00 0.00 H new ATOM 1218 N MET A 78 -6.036 -10.452 4.552 1.00 0.00 N ATOM 1219 CA MET A 78 -6.635 -11.105 5.708 1.00 0.00 C ATOM 1220 C MET A 78 -7.785 -12.011 5.283 1.00 0.00 C ATOM 1221 O MET A 78 -8.193 -12.905 6.025 1.00 0.00 O ATOM 1222 CB MET A 78 -7.134 -10.063 6.710 1.00 0.00 C ATOM 1223 CG MET A 78 -7.921 -10.657 7.866 1.00 0.00 C ATOM 1224 SD MET A 78 -6.903 -10.938 9.328 1.00 0.00 S ATOM 1225 CE MET A 78 -8.054 -10.509 10.630 1.00 0.00 C ATOM 0 H MET A 78 -6.147 -9.438 4.535 1.00 0.00 H new ATOM 0 HA MET A 78 -5.870 -11.717 6.185 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.280 -9.515 7.107 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.761 -9.341 6.188 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.742 -9.988 8.123 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.366 -11.601 7.551 1.00 0.00 H new ATOM 0 HE1 MET A 78 -7.794 -11.052 11.539 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.004 -9.437 10.821 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.065 -10.776 10.324 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.304 -11.772 4.084 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.403 -12.560 3.557 1.00 0.00 C ATOM 1237 C ALA A 79 -8.892 -13.786 2.813 1.00 0.00 C ATOM 1238 O ALA A 79 -9.503 -14.854 2.857 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.276 -11.710 2.646 1.00 0.00 C ATOM 0 H ALA A 79 -7.977 -11.035 3.459 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.005 -12.904 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.096 -12.315 2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.681 -10.870 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.678 -11.335 1.815 1.00 0.00 H new ATOM 1245 N LYS A 80 -7.770 -13.620 2.128 1.00 0.00 N ATOM 1246 CA LYS A 80 -7.168 -14.705 1.368 1.00 0.00 C ATOM 1247 C LYS A 80 -6.575 -15.760 2.297 1.00 0.00 C ATOM 1248 O LYS A 80 -6.350 -15.442 3.484 1.00 0.00 O ATOM 1249 CB LYS A 80 -6.086 -14.164 0.431 1.00 0.00 C ATOM 1250 CG LYS A 80 -5.133 -13.189 1.100 1.00 0.00 C ATOM 1251 CD LYS A 80 -4.204 -13.897 2.072 1.00 0.00 C ATOM 1252 CE LYS A 80 -3.097 -14.641 1.343 1.00 0.00 C ATOM 1253 NZ LYS A 80 -2.933 -16.031 1.852 1.00 0.00 N ATOM 1254 OXT LYS A 80 -6.341 -16.894 1.830 1.00 0.00 O ATOM 0 H LYS A 80 -7.256 -12.740 2.083 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.951 -15.173 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.514 -15.000 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.564 -13.669 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.544 -12.675 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.704 -12.427 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.766 -13.169 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.777 -14.598 2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.320 -14.669 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.158 -14.099 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.169 -16.504 1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.695 -16.004 2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.821 -16.556 1.719 1.00 0.00 H new TER 1268 LYS A 80 HETATM 1269 P24 PNS A 101 0.325 13.797 -9.279 1.00 0.00 P HETATM 1270 O25 PNS A 101 -0.772 12.737 -9.794 1.00 0.00 O HETATM 1271 O26 PNS A 101 -0.348 15.257 -9.175 1.00 0.00 O HETATM 1272 O27 PNS A 101 1.553 13.846 -10.318 1.00 0.00 O HETATM 1273 C28 PNS A 101 1.923 15.207 -10.554 1.00 0.00 C HETATM 1274 C29 PNS A 101 3.415 15.294 -10.814 1.00 0.00 C HETATM 1275 C30 PNS A 101 3.984 16.475 -10.071 1.00 0.00 C HETATM 1276 C31 PNS A 101 4.083 14.031 -10.336 1.00 0.00 C HETATM 1277 C32 PNS A 101 3.661 15.467 -12.305 1.00 0.00 C HETATM 1278 O33 PNS A 101 4.560 16.522 -12.634 1.00 0.00 O HETATM 1279 C34 PNS A 101 3.541 14.280 -13.219 1.00 0.00 C HETATM 1280 O35 PNS A 101 2.438 13.847 -13.553 1.00 0.00 O HETATM 1281 N36 PNS A 101 4.611 13.504 -13.081 1.00 0.00 N HETATM 1282 C37 PNS A 101 5.013 12.498 -14.058 1.00 0.00 C HETATM 1283 C38 PNS A 101 6.401 12.769 -14.618 1.00 0.00 C HETATM 1284 C39 PNS A 101 6.477 14.079 -15.376 1.00 0.00 C HETATM 1285 O40 PNS A 101 7.062 14.152 -16.457 1.00 0.00 O HETATM 1286 N41 PNS A 101 6.416 15.092 -14.517 1.00 0.00 N HETATM 1287 C42 PNS A 101 6.761 16.468 -14.864 1.00 0.00 C HETATM 1288 C43 PNS A 101 7.473 17.181 -13.726 1.00 0.00 C HETATM 1289 S44 PNS A 101 9.255 16.884 -13.786 1.00 0.00 S HETATM 0 H432 PNS A 101 7.277 18.252 -13.785 1.00 0.00 H new HETATM 0 H431 PNS A 101 7.076 16.836 -12.771 1.00 0.00 H new HETATM 0 H422 PNS A 101 5.854 17.015 -15.123 1.00 0.00 H new HETATM 0 H421 PNS A 101 7.398 16.470 -15.748 1.00 0.00 H new HETATM 0 H382 PNS A 101 6.687 11.953 -15.281 1.00 0.00 H new HETATM 0 H381 PNS A 101 7.122 12.784 -13.801 1.00 0.00 H new HETATM 0 H372 PNS A 101 4.291 12.476 -14.874 1.00 0.00 H new HETATM 0 H371 PNS A 101 4.996 11.513 -13.592 1.00 0.00 H new HETATM 0 H313 PNS A 101 5.155 14.093 -10.523 1.00 0.00 H new HETATM 0 H312 PNS A 101 3.671 13.176 -10.872 1.00 0.00 H new HETATM 0 H311 PNS A 101 3.907 13.909 -9.267 1.00 0.00 H new HETATM 0 H303 PNS A 101 5.056 16.539 -10.256 1.00 0.00 H new HETATM 0 H302 PNS A 101 3.807 16.352 -9.002 1.00 0.00 H new HETATM 0 H301 PNS A 101 3.501 17.389 -10.416 1.00 0.00 H new HETATM 0 H282 PNS A 101 1.658 15.821 -9.693 1.00 0.00 H new HETATM 0 H281 PNS A 101 1.372 15.601 -11.408 1.00 0.00 H new HETATM 0 H44 PNS A 101 9.832 17.508 -12.803 1.00 0.00 H new HETATM 0 H41 PNS A 101 6.111 14.897 -13.563 1.00 0.00 H new HETATM 0 H36 PNS A 101 5.184 13.618 -12.245 1.00 0.00 H new HETATM 0 H33 PNS A 101 4.326 16.889 -13.512 1.00 0.00 H new HETATM 0 H32 PNS A 101 2.707 15.866 -12.651 1.00 0.00 H new