USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 33 LYS NZ :NH3+ 150:sc= -0.123 (180deg=-2.01!) USER MOD Set 1.2: X 34 THR OG1 : rot 71:sc= 0.591 USER MOD Set 2.1: X 25 SER OG : rot 20:sc= 1.33 USER MOD Set 2.2: X 55 TYR OH : rot -167:sc= 1.24 USER MOD Set 3.1: X 14 LYS NZ :NH3+ -101:sc= -1.41 (180deg=-4.46!) USER MOD Set 3.2: X 73 ASN : amide:sc= -1.57! C(o=-3!,f=-19!) USER MOD Single : X 6 CYS SG : rot -37:sc= 0.0655 USER MOD Single : X 8 THR OG1 : rot 180:sc= 0 USER MOD Single : X 10 TYR OH : rot 180:sc= 0 USER MOD Single : X 12 ASN :FLIP amide:sc= -1.06 F(o=-2.4!,f=-1.1) USER MOD Single : X 15 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 THR OG1 : rot 180:sc= 0 USER MOD Single : X 20 LYS NZ :NH3+ 155:sc= 0.901 (180deg=-0.408!) USER MOD Single : X 21 SER OG : rot 180:sc= 0 USER MOD Single : X 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.21) USER MOD Single : X 26 SER OG : rot 44:sc= 0.196 USER MOD Single : X 32 LYS NZ :NH3+ 168:sc= 0.955 (180deg=0.659) USER MOD Single : X 37 LYS NZ :NH3+ 180:sc= -0.0233 (180deg=-0.0233) USER MOD Single : X 38 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : X 40 TYR OH : rot 180:sc= 0 USER MOD Single : X 42 TYR OH : rot 180:sc= -0.269 USER MOD Single : X 48 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 ASN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : X 51 LYS NZ :NH3+ -169:sc= -0.0354 (180deg=-0.227) USER MOD Single : X 54 TYR OH : rot 180:sc= 0 USER MOD Single : X 56 ASN : amide:sc= 0.13 K(o=0.13,f=-3.6!) USER MOD Single : X 65 GLN : amide:sc= -1.24! C(o=-1.2!,f=-4!) USER MOD Single : X 67 LYS NZ :NH3+ -169:sc= 0.395 (180deg=0.228) USER MOD Single : X 75 THR OG1 : rot -79:sc= 1.26 USER MOD Single : X 77 ASN :FLIP amide:sc= -1.3 F(o=-2.9!,f=-1.3) USER MOD Single : X 78 TYR OH : rot 34:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 72 N ASP X 5 -8.611 4.976 -1.400 1.00 0.00 N ATOM 73 CA ASP X 5 -8.082 5.945 -2.378 1.00 0.00 C ATOM 74 C ASP X 5 -7.543 5.185 -3.581 1.00 0.00 C ATOM 75 O ASP X 5 -7.708 3.962 -3.645 1.00 0.00 O ATOM 76 CB ASP X 5 -7.011 6.850 -1.775 1.00 0.00 C ATOM 77 CG ASP X 5 -7.039 8.224 -2.406 1.00 0.00 C ATOM 78 OD1 ASP X 5 -6.510 8.396 -3.499 1.00 0.00 O ATOM 79 OD2 ASP X 5 -7.642 9.147 -1.801 1.00 0.00 O ATOM 0 HA ASP X 5 -8.894 6.602 -2.690 1.00 0.00 H new ATOM 0 HB2 ASP X 5 -7.168 6.937 -0.700 1.00 0.00 H new ATOM 0 HB3 ASP X 5 -6.028 6.401 -1.918 1.00 0.00 H new ATOM 84 N CYS X 6 -6.917 5.868 -4.508 1.00 0.00 N ATOM 85 CA CYS X 6 -6.444 5.232 -5.732 1.00 0.00 C ATOM 86 C CYS X 6 -5.007 4.829 -5.705 1.00 0.00 C ATOM 87 O CYS X 6 -4.093 5.653 -5.764 1.00 0.00 O ATOM 88 CB CYS X 6 -6.704 6.050 -6.975 1.00 0.00 C ATOM 89 SG CYS X 6 -6.111 7.777 -6.922 1.00 0.00 S ATOM 0 H CYS X 6 -6.719 6.867 -4.446 1.00 0.00 H new ATOM 0 HA CYS X 6 -7.043 4.323 -5.776 1.00 0.00 H new ATOM 0 HB2 CYS X 6 -6.235 5.550 -7.822 1.00 0.00 H new ATOM 0 HB3 CYS X 6 -7.777 6.059 -7.164 1.00 0.00 H new ATOM 0 HG CYS X 6 -6.276 8.256 -5.725 1.00 0.00 H new ATOM 94 N TRP X 7 -4.795 3.568 -5.609 1.00 0.00 N ATOM 95 CA TRP X 7 -3.484 3.050 -5.639 1.00 0.00 C ATOM 96 C TRP X 7 -3.393 2.250 -6.902 1.00 0.00 C ATOM 97 O TRP X 7 -4.352 1.575 -7.282 1.00 0.00 O ATOM 98 CB TRP X 7 -3.189 2.176 -4.385 1.00 0.00 C ATOM 99 CG TRP X 7 -3.968 2.574 -3.166 1.00 0.00 C ATOM 100 CD1 TRP X 7 -4.376 3.818 -2.813 1.00 0.00 C ATOM 101 CD2 TRP X 7 -4.413 1.715 -2.147 1.00 0.00 C ATOM 102 NE1 TRP X 7 -5.108 3.777 -1.681 1.00 0.00 N ATOM 103 CE2 TRP X 7 -5.124 2.494 -1.228 1.00 0.00 C ATOM 104 CE3 TRP X 7 -4.290 0.359 -1.927 1.00 0.00 C ATOM 105 CZ2 TRP X 7 -5.708 1.950 -0.117 1.00 0.00 C ATOM 106 CZ3 TRP X 7 -4.856 -0.181 -0.814 1.00 0.00 C ATOM 107 CH2 TRP X 7 -5.559 0.611 0.074 1.00 0.00 C ATOM 0 H TRP X 7 -5.529 2.867 -5.507 1.00 0.00 H new ATOM 0 HA TRP X 7 -2.740 3.847 -5.621 1.00 0.00 H new ATOM 0 HB2 TRP X 7 -3.410 1.135 -4.621 1.00 0.00 H new ATOM 0 HB3 TRP X 7 -2.124 2.233 -4.158 1.00 0.00 H new ATOM 0 HD1 TRP X 7 -4.146 4.719 -3.363 1.00 0.00 H new ATOM 0 HE1 TRP X 7 -5.571 4.572 -1.240 1.00 0.00 H new ATOM 0 HE3 TRP X 7 -3.753 -0.264 -2.627 1.00 0.00 H new ATOM 0 HZ2 TRP X 7 -6.265 2.559 0.580 1.00 0.00 H new ATOM 0 HZ3 TRP X 7 -4.755 -1.239 -0.622 1.00 0.00 H new ATOM 0 HH2 TRP X 7 -6.003 0.153 0.946 1.00 0.00 H new ATOM 118 N THR X 8 -2.308 2.348 -7.574 1.00 0.00 N ATOM 119 CA THR X 8 -2.170 1.640 -8.790 1.00 0.00 C ATOM 120 C THR X 8 -1.280 0.436 -8.548 1.00 0.00 C ATOM 121 O THR X 8 -0.230 0.527 -7.850 1.00 0.00 O ATOM 122 CB THR X 8 -1.692 2.553 -9.973 1.00 0.00 C ATOM 123 OG1 THR X 8 -1.641 1.822 -11.212 1.00 0.00 O ATOM 124 CG2 THR X 8 -0.340 3.188 -9.697 1.00 0.00 C ATOM 0 H THR X 8 -1.502 2.911 -7.303 1.00 0.00 H new ATOM 0 HA THR X 8 -3.147 1.284 -9.117 1.00 0.00 H new ATOM 0 HB THR X 8 -2.429 3.351 -10.062 1.00 0.00 H new ATOM 0 HG1 THR X 8 -1.342 2.417 -11.931 1.00 0.00 H new ATOM 0 HG21 THR X 8 -0.051 3.811 -10.544 1.00 0.00 H new ATOM 0 HG22 THR X 8 -0.403 3.803 -8.799 1.00 0.00 H new ATOM 0 HG23 THR X 8 0.406 2.407 -9.550 1.00 0.00 H new ATOM 132 N PHE X 9 -1.726 -0.692 -9.042 1.00 0.00 N ATOM 133 CA PHE X 9 -1.097 -1.934 -8.749 1.00 0.00 C ATOM 134 C PHE X 9 -0.010 -2.269 -9.738 1.00 0.00 C ATOM 135 O PHE X 9 -0.182 -2.094 -10.944 1.00 0.00 O ATOM 136 CB PHE X 9 -2.123 -3.061 -8.711 1.00 0.00 C ATOM 137 CG PHE X 9 -1.620 -4.178 -7.906 1.00 0.00 C ATOM 138 CD1 PHE X 9 -1.639 -4.040 -6.573 1.00 0.00 C ATOM 139 CD2 PHE X 9 -1.072 -5.314 -8.462 1.00 0.00 C ATOM 140 CE1 PHE X 9 -1.126 -4.983 -5.752 1.00 0.00 C ATOM 141 CE2 PHE X 9 -0.560 -6.296 -7.646 1.00 0.00 C ATOM 142 CZ PHE X 9 -0.582 -6.121 -6.280 1.00 0.00 C ATOM 0 H PHE X 9 -2.536 -0.764 -9.658 1.00 0.00 H new ATOM 0 HA PHE X 9 -0.635 -1.830 -7.767 1.00 0.00 H new ATOM 0 HB2 PHE X 9 -3.060 -2.695 -8.292 1.00 0.00 H new ATOM 0 HB3 PHE X 9 -2.338 -3.401 -9.724 1.00 0.00 H new ATOM 0 HD1 PHE X 9 -2.076 -3.151 -6.143 1.00 0.00 H new ATOM 0 HD2 PHE X 9 -1.045 -5.433 -9.535 1.00 0.00 H new ATOM 0 HE1 PHE X 9 -1.146 -4.838 -4.682 1.00 0.00 H new ATOM 0 HE2 PHE X 9 -0.144 -7.197 -8.073 1.00 0.00 H new ATOM 0 HZ PHE X 9 -0.172 -6.879 -5.629 1.00 0.00 H new ATOM 152 N TYR X 10 1.107 -2.742 -9.230 1.00 0.00 N ATOM 153 CA TYR X 10 2.178 -3.170 -10.104 1.00 0.00 C ATOM 154 C TYR X 10 2.180 -4.709 -10.262 1.00 0.00 C ATOM 155 O TYR X 10 1.921 -5.225 -11.361 1.00 0.00 O ATOM 156 CB TYR X 10 3.547 -2.650 -9.611 1.00 0.00 C ATOM 157 CG TYR X 10 4.700 -2.927 -10.569 1.00 0.00 C ATOM 158 CD1 TYR X 10 4.897 -2.140 -11.698 1.00 0.00 C ATOM 159 CD2 TYR X 10 5.583 -3.974 -10.349 1.00 0.00 C ATOM 160 CE1 TYR X 10 5.931 -2.390 -12.573 1.00 0.00 C ATOM 161 CE2 TYR X 10 6.625 -4.227 -11.222 1.00 0.00 C ATOM 162 CZ TYR X 10 6.793 -3.436 -12.333 1.00 0.00 C ATOM 163 OH TYR X 10 7.834 -3.685 -13.207 1.00 0.00 O ATOM 0 H TYR X 10 1.297 -2.839 -8.233 1.00 0.00 H new ATOM 0 HA TYR X 10 2.002 -2.736 -11.088 1.00 0.00 H new ATOM 0 HB2 TYR X 10 3.477 -1.575 -9.445 1.00 0.00 H new ATOM 0 HB3 TYR X 10 3.772 -3.107 -8.647 1.00 0.00 H new ATOM 0 HD1 TYR X 10 4.226 -1.316 -11.893 1.00 0.00 H new ATOM 0 HD2 TYR X 10 5.454 -4.603 -9.480 1.00 0.00 H new ATOM 0 HE1 TYR X 10 6.065 -1.767 -13.445 1.00 0.00 H new ATOM 0 HE2 TYR X 10 7.305 -5.044 -11.031 1.00 0.00 H new ATOM 0 HH TYR X 10 8.348 -4.457 -12.892 1.00 0.00 H new ATOM 173 N ALA X 11 2.417 -5.420 -9.159 1.00 0.00 N ATOM 174 CA ALA X 11 2.554 -6.887 -9.118 1.00 0.00 C ATOM 175 C ALA X 11 2.740 -7.250 -7.664 1.00 0.00 C ATOM 176 O ALA X 11 2.864 -6.348 -6.860 1.00 0.00 O ATOM 177 CB ALA X 11 3.742 -7.362 -9.945 1.00 0.00 C ATOM 0 H ALA X 11 2.523 -4.986 -8.242 1.00 0.00 H new ATOM 0 HA ALA X 11 1.674 -7.368 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA X 11 3.812 -8.448 -9.891 1.00 0.00 H new ATOM 0 HB2 ALA X 11 3.608 -7.058 -10.983 1.00 0.00 H new ATOM 0 HB3 ALA X 11 4.658 -6.920 -9.553 1.00 0.00 H new ATOM 183 N ASN X 12 2.623 -8.507 -7.260 1.00 0.00 N ATOM 184 CA ASN X 12 2.882 -8.751 -5.846 1.00 0.00 C ATOM 185 C ASN X 12 4.382 -8.861 -5.742 1.00 0.00 C ATOM 186 O ASN X 12 4.978 -9.780 -6.282 1.00 0.00 O ATOM 187 CB ASN X 12 2.249 -10.107 -5.388 1.00 0.00 C ATOM 188 CG ASN X 12 0.708 -10.166 -5.391 1.00 0.00 C ATOM 189 OD1 ASN X 12 0.072 -9.433 -6.260 1.00 0.00 O flip ATOM 190 ND2 ASN X 12 0.098 -10.898 -4.614 1.00 0.00 N flip ATOM 0 H ASN X 12 2.373 -9.313 -7.833 1.00 0.00 H new ATOM 0 HA ASN X 12 2.460 -7.962 -5.224 1.00 0.00 H new ATOM 0 HB2 ASN X 12 2.625 -10.899 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN X 12 2.600 -10.327 -4.380 1.00 0.00 H new ATOM 0 HD21 ASN X 12 0.611 -11.466 -3.939 1.00 0.00 H new ATOM 0 HD22 ASN X 12 -0.921 -10.937 -4.644 1.00 0.00 H new ATOM 197 N ARG X 13 4.979 -7.942 -5.015 1.00 0.00 N ATOM 198 CA ARG X 13 6.424 -7.832 -4.887 1.00 0.00 C ATOM 199 C ARG X 13 6.787 -7.179 -3.610 1.00 0.00 C ATOM 200 O ARG X 13 5.914 -6.640 -2.915 1.00 0.00 O ATOM 201 CB ARG X 13 7.064 -7.094 -6.053 1.00 0.00 C ATOM 202 CG ARG X 13 7.094 -7.864 -7.347 1.00 0.00 C ATOM 203 CD ARG X 13 7.093 -6.965 -8.552 1.00 0.00 C ATOM 204 NE ARG X 13 8.204 -6.035 -8.635 1.00 0.00 N ATOM 205 CZ ARG X 13 9.108 -6.046 -9.630 1.00 0.00 C ATOM 206 NH1 ARG X 13 9.183 -7.082 -10.463 1.00 0.00 N ATOM 207 NH2 ARG X 13 9.934 -5.037 -9.776 1.00 0.00 N ATOM 0 H ARG X 13 4.469 -7.236 -4.485 1.00 0.00 H new ATOM 0 HA ARG X 13 6.815 -8.849 -4.897 1.00 0.00 H new ATOM 0 HB2 ARG X 13 6.525 -6.161 -6.214 1.00 0.00 H new ATOM 0 HB3 ARG X 13 8.085 -6.829 -5.780 1.00 0.00 H new ATOM 0 HG2 ARG X 13 7.982 -8.496 -7.370 1.00 0.00 H new ATOM 0 HG3 ARG X 13 6.230 -8.527 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG X 13 7.093 -7.586 -9.448 1.00 0.00 H new ATOM 0 HD3 ARG X 13 6.163 -6.396 -8.559 1.00 0.00 H new ATOM 0 HE ARG X 13 8.304 -5.336 -7.899 1.00 0.00 H new ATOM 0 HH11 ARG X 13 8.552 -7.875 -10.349 1.00 0.00 H new ATOM 0 HH12 ARG X 13 9.872 -7.083 -11.215 1.00 0.00 H new ATOM 0 HH21 ARG X 13 9.890 -4.245 -9.135 1.00 0.00 H new ATOM 0 HH22 ARG X 13 10.620 -5.045 -10.531 1.00 0.00 H new ATOM 221 N LYS X 14 8.045 -7.285 -3.241 1.00 0.00 N ATOM 222 CA LYS X 14 8.524 -6.626 -2.075 1.00 0.00 C ATOM 223 C LYS X 14 10.037 -6.482 -2.029 1.00 0.00 C ATOM 224 O LYS X 14 10.772 -7.409 -2.273 1.00 0.00 O ATOM 225 CB LYS X 14 8.108 -7.418 -0.951 1.00 0.00 C ATOM 226 CG LYS X 14 8.309 -6.801 0.366 1.00 0.00 C ATOM 227 CD LYS X 14 7.612 -7.674 1.339 1.00 0.00 C ATOM 228 CE LYS X 14 6.109 -7.689 1.122 1.00 0.00 C ATOM 229 NZ LYS X 14 5.679 -8.945 0.454 1.00 0.00 N ATOM 0 H LYS X 14 8.748 -7.827 -3.744 1.00 0.00 H new ATOM 0 HA LYS X 14 8.118 -5.614 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS X 14 7.050 -7.652 -1.065 1.00 0.00 H new ATOM 0 HB3 LYS X 14 8.648 -8.364 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS X 14 9.370 -6.724 0.602 1.00 0.00 H new ATOM 0 HG3 LYS X 14 7.903 -5.790 0.389 1.00 0.00 H new ATOM 0 HD2 LYS X 14 8.000 -8.689 1.256 1.00 0.00 H new ATOM 0 HD3 LYS X 14 7.828 -7.332 2.351 1.00 0.00 H new ATOM 0 HE2 LYS X 14 5.599 -7.590 2.080 1.00 0.00 H new ATOM 0 HE3 LYS X 14 5.817 -6.832 0.515 1.00 0.00 H new ATOM 0 HZ1 LYS X 14 5.521 -8.764 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS X 14 6.418 -9.668 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS X 14 4.796 -9.284 0.887 1.00 0.00 H new ATOM 243 N TYR X 15 10.490 -5.336 -1.646 1.00 0.00 N ATOM 244 CA TYR X 15 11.877 -5.161 -1.375 1.00 0.00 C ATOM 245 C TYR X 15 12.029 -5.568 0.087 1.00 0.00 C ATOM 246 O TYR X 15 11.752 -4.780 0.998 1.00 0.00 O ATOM 247 CB TYR X 15 12.291 -3.718 -1.643 1.00 0.00 C ATOM 248 CG TYR X 15 13.776 -3.429 -1.589 1.00 0.00 C ATOM 249 CD1 TYR X 15 14.561 -3.591 -2.721 1.00 0.00 C ATOM 250 CD2 TYR X 15 14.389 -2.973 -0.431 1.00 0.00 C ATOM 251 CE1 TYR X 15 15.909 -3.311 -2.706 1.00 0.00 C ATOM 252 CE2 TYR X 15 15.744 -2.692 -0.407 1.00 0.00 C ATOM 253 CZ TYR X 15 16.496 -2.862 -1.549 1.00 0.00 C ATOM 254 OH TYR X 15 17.848 -2.577 -1.536 1.00 0.00 O ATOM 0 H TYR X 15 9.917 -4.503 -1.513 1.00 0.00 H new ATOM 0 HA TYR X 15 12.526 -5.760 -2.013 1.00 0.00 H new ATOM 0 HB2 TYR X 15 11.922 -3.433 -2.628 1.00 0.00 H new ATOM 0 HB3 TYR X 15 11.790 -3.077 -0.917 1.00 0.00 H new ATOM 0 HD1 TYR X 15 14.105 -3.944 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR X 15 13.801 -2.835 0.464 1.00 0.00 H new ATOM 0 HE1 TYR X 15 16.501 -3.444 -3.599 1.00 0.00 H new ATOM 0 HE2 TYR X 15 16.210 -2.341 0.502 1.00 0.00 H new ATOM 0 HH TYR X 15 18.109 -2.269 -0.643 1.00 0.00 H new ATOM 264 N THR X 16 12.273 -6.860 0.229 1.00 0.00 N ATOM 265 CA THR X 16 12.318 -7.665 1.431 1.00 0.00 C ATOM 266 C THR X 16 12.847 -7.034 2.706 1.00 0.00 C ATOM 267 O THR X 16 14.010 -7.189 3.064 1.00 0.00 O ATOM 268 CB THR X 16 12.986 -9.028 1.151 1.00 0.00 C ATOM 269 OG1 THR X 16 14.193 -8.823 0.377 1.00 0.00 O ATOM 270 CG2 THR X 16 12.035 -9.941 0.385 1.00 0.00 C ATOM 0 H THR X 16 12.466 -7.432 -0.593 1.00 0.00 H new ATOM 0 HA THR X 16 11.263 -7.790 1.673 1.00 0.00 H new ATOM 0 HB THR X 16 13.234 -9.501 2.101 1.00 0.00 H new ATOM 0 HG1 THR X 16 14.619 -9.688 0.200 1.00 0.00 H new ATOM 0 HG21 THR X 16 12.522 -10.898 0.196 1.00 0.00 H new ATOM 0 HG22 THR X 16 11.133 -10.103 0.975 1.00 0.00 H new ATOM 0 HG23 THR X 16 11.769 -9.476 -0.564 1.00 0.00 H new ATOM 278 N ASP X 17 11.981 -6.260 3.302 1.00 0.00 N ATOM 279 CA ASP X 17 12.108 -5.730 4.669 1.00 0.00 C ATOM 280 C ASP X 17 10.909 -4.858 4.975 1.00 0.00 C ATOM 281 O ASP X 17 10.302 -4.278 4.059 1.00 0.00 O ATOM 282 CB ASP X 17 13.405 -4.917 4.950 1.00 0.00 C ATOM 283 CG ASP X 17 13.401 -3.524 4.375 1.00 0.00 C ATOM 284 OD1 ASP X 17 12.942 -2.586 5.051 1.00 0.00 O ATOM 285 OD2 ASP X 17 13.855 -3.328 3.237 1.00 0.00 O ATOM 0 H ASP X 17 11.122 -5.957 2.843 1.00 0.00 H new ATOM 0 HA ASP X 17 12.161 -6.605 5.317 1.00 0.00 H new ATOM 0 HB2 ASP X 17 13.553 -4.852 6.028 1.00 0.00 H new ATOM 0 HB3 ASP X 17 14.257 -5.463 4.544 1.00 0.00 H new ATOM 290 N PHE X 18 10.541 -4.802 6.236 1.00 0.00 N ATOM 291 CA PHE X 18 9.482 -3.924 6.718 1.00 0.00 C ATOM 292 C PHE X 18 10.076 -2.902 7.668 1.00 0.00 C ATOM 293 O PHE X 18 9.368 -2.235 8.442 1.00 0.00 O ATOM 294 CB PHE X 18 8.374 -4.715 7.420 1.00 0.00 C ATOM 295 CG PHE X 18 7.600 -5.618 6.514 1.00 0.00 C ATOM 296 CD1 PHE X 18 6.884 -5.088 5.463 1.00 0.00 C ATOM 297 CD2 PHE X 18 7.585 -6.986 6.708 1.00 0.00 C ATOM 298 CE1 PHE X 18 6.163 -5.892 4.619 1.00 0.00 C ATOM 299 CE2 PHE X 18 6.861 -7.803 5.866 1.00 0.00 C ATOM 300 CZ PHE X 18 6.148 -7.249 4.818 1.00 0.00 C ATOM 0 H PHE X 18 10.969 -5.368 6.968 1.00 0.00 H new ATOM 0 HA PHE X 18 9.034 -3.419 5.862 1.00 0.00 H new ATOM 0 HB2 PHE X 18 8.818 -5.311 8.217 1.00 0.00 H new ATOM 0 HB3 PHE X 18 7.685 -4.014 7.892 1.00 0.00 H new ATOM 0 HD1 PHE X 18 6.891 -4.020 5.301 1.00 0.00 H new ATOM 0 HD2 PHE X 18 8.144 -7.418 7.525 1.00 0.00 H new ATOM 0 HE1 PHE X 18 5.608 -5.458 3.800 1.00 0.00 H new ATOM 0 HE2 PHE X 18 6.851 -8.871 6.024 1.00 0.00 H new ATOM 0 HZ PHE X 18 5.579 -7.885 4.156 1.00 0.00 H new ATOM 310 N ASP X 19 11.376 -2.738 7.546 1.00 0.00 N ATOM 311 CA ASP X 19 12.164 -1.844 8.387 1.00 0.00 C ATOM 312 C ASP X 19 11.891 -0.387 8.032 1.00 0.00 C ATOM 313 O ASP X 19 12.084 0.511 8.840 1.00 0.00 O ATOM 314 CB ASP X 19 13.654 -2.194 8.246 1.00 0.00 C ATOM 315 CG ASP X 19 14.591 -1.196 8.886 1.00 0.00 C ATOM 316 OD1 ASP X 19 14.797 -1.252 10.115 1.00 0.00 O ATOM 317 OD2 ASP X 19 15.152 -0.352 8.153 1.00 0.00 O ATOM 0 H ASP X 19 11.932 -3.230 6.847 1.00 0.00 H new ATOM 0 HA ASP X 19 11.875 -1.977 9.429 1.00 0.00 H new ATOM 0 HB2 ASP X 19 13.828 -3.174 8.689 1.00 0.00 H new ATOM 0 HB3 ASP X 19 13.897 -2.275 7.187 1.00 0.00 H new ATOM 322 N LYS X 20 11.376 -0.177 6.826 1.00 0.00 N ATOM 323 CA LYS X 20 11.023 1.166 6.332 1.00 0.00 C ATOM 324 C LYS X 20 9.858 1.822 7.100 1.00 0.00 C ATOM 325 O LYS X 20 9.508 2.956 6.821 1.00 0.00 O ATOM 326 CB LYS X 20 10.756 1.198 4.813 1.00 0.00 C ATOM 327 CG LYS X 20 9.749 0.175 4.289 1.00 0.00 C ATOM 328 CD LYS X 20 10.417 -1.101 3.786 1.00 0.00 C ATOM 329 CE LYS X 20 11.216 -0.830 2.518 1.00 0.00 C ATOM 330 NZ LYS X 20 11.929 -2.022 2.003 1.00 0.00 N ATOM 0 H LYS X 20 11.188 -0.925 6.158 1.00 0.00 H new ATOM 0 HA LYS X 20 11.912 1.766 6.527 1.00 0.00 H new ATOM 0 HB2 LYS X 20 10.404 2.195 4.547 1.00 0.00 H new ATOM 0 HB3 LYS X 20 11.702 1.045 4.294 1.00 0.00 H new ATOM 0 HG2 LYS X 20 9.045 -0.076 5.083 1.00 0.00 H new ATOM 0 HG3 LYS X 20 9.171 0.621 3.480 1.00 0.00 H new ATOM 0 HD2 LYS X 20 11.075 -1.501 4.557 1.00 0.00 H new ATOM 0 HD3 LYS X 20 9.660 -1.860 3.589 1.00 0.00 H new ATOM 0 HE2 LYS X 20 10.542 -0.458 1.746 1.00 0.00 H new ATOM 0 HE3 LYS X 20 11.941 -0.040 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 12.088 -1.917 0.981 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 12.844 -2.115 2.488 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 11.356 -2.872 2.179 1.00 0.00 H new ATOM 344 N SER X 21 9.290 1.089 8.055 1.00 0.00 N ATOM 345 CA SER X 21 8.233 1.554 8.959 1.00 0.00 C ATOM 346 C SER X 21 6.824 1.532 8.368 1.00 0.00 C ATOM 347 O SER X 21 6.351 2.466 7.670 1.00 0.00 O ATOM 348 CB SER X 21 8.570 2.877 9.642 1.00 0.00 C ATOM 349 OG SER X 21 9.816 2.775 10.323 1.00 0.00 O ATOM 0 H SER X 21 9.560 0.121 8.229 1.00 0.00 H new ATOM 0 HA SER X 21 8.206 0.798 9.744 1.00 0.00 H new ATOM 0 HB2 SER X 21 8.616 3.676 8.902 1.00 0.00 H new ATOM 0 HB3 SER X 21 7.782 3.142 10.347 1.00 0.00 H new ATOM 0 HG SER X 21 10.023 3.629 10.756 1.00 0.00 H new ATOM 355 N PHE X 22 6.172 0.446 8.658 1.00 0.00 N ATOM 356 CA PHE X 22 4.823 0.179 8.271 1.00 0.00 C ATOM 357 C PHE X 22 4.128 -0.259 9.517 1.00 0.00 C ATOM 358 O PHE X 22 4.795 -0.701 10.458 1.00 0.00 O ATOM 359 CB PHE X 22 4.744 -0.996 7.304 1.00 0.00 C ATOM 360 CG PHE X 22 5.404 -0.831 5.990 1.00 0.00 C ATOM 361 CD1 PHE X 22 5.762 0.398 5.523 1.00 0.00 C ATOM 362 CD2 PHE X 22 5.612 -1.922 5.206 1.00 0.00 C ATOM 363 CE1 PHE X 22 6.321 0.551 4.300 1.00 0.00 C ATOM 364 CE2 PHE X 22 6.181 -1.797 3.979 1.00 0.00 C ATOM 365 CZ PHE X 22 6.539 -0.564 3.511 1.00 0.00 C ATOM 0 H PHE X 22 6.589 -0.313 9.197 1.00 0.00 H new ATOM 0 HA PHE X 22 4.394 1.062 7.797 1.00 0.00 H new ATOM 0 HB2 PHE X 22 5.178 -1.868 7.794 1.00 0.00 H new ATOM 0 HB3 PHE X 22 3.692 -1.220 7.129 1.00 0.00 H new ATOM 0 HD1 PHE X 22 5.596 1.268 6.141 1.00 0.00 H new ATOM 0 HD2 PHE X 22 5.322 -2.899 5.563 1.00 0.00 H new ATOM 0 HE1 PHE X 22 6.594 1.533 3.944 1.00 0.00 H new ATOM 0 HE2 PHE X 22 6.351 -2.674 3.372 1.00 0.00 H new ATOM 0 HZ PHE X 22 6.988 -0.461 2.534 1.00 0.00 H new ATOM 375 N LYS X 23 2.853 -0.121 9.579 1.00 0.00 N ATOM 376 CA LYS X 23 2.135 -0.640 10.716 1.00 0.00 C ATOM 377 C LYS X 23 1.121 -1.646 10.257 1.00 0.00 C ATOM 378 O LYS X 23 0.531 -1.491 9.177 1.00 0.00 O ATOM 379 CB LYS X 23 1.479 0.453 11.543 1.00 0.00 C ATOM 380 CG LYS X 23 2.456 1.424 12.180 1.00 0.00 C ATOM 381 CD LYS X 23 1.752 2.431 13.070 1.00 0.00 C ATOM 382 CE LYS X 23 1.064 1.756 14.256 1.00 0.00 C ATOM 383 NZ LYS X 23 0.423 2.732 15.149 1.00 0.00 N ATOM 0 H LYS X 23 2.279 0.339 8.872 1.00 0.00 H new ATOM 0 HA LYS X 23 2.859 -1.126 11.370 1.00 0.00 H new ATOM 0 HB2 LYS X 23 0.792 1.011 10.907 1.00 0.00 H new ATOM 0 HB3 LYS X 23 0.881 -0.010 12.328 1.00 0.00 H new ATOM 0 HG2 LYS X 23 3.188 0.870 12.767 1.00 0.00 H new ATOM 0 HG3 LYS X 23 3.006 1.951 11.400 1.00 0.00 H new ATOM 0 HD2 LYS X 23 2.475 3.161 13.436 1.00 0.00 H new ATOM 0 HD3 LYS X 23 1.014 2.979 12.485 1.00 0.00 H new ATOM 0 HE2 LYS X 23 0.315 1.054 13.889 1.00 0.00 H new ATOM 0 HE3 LYS X 23 1.796 1.176 14.818 1.00 0.00 H new ATOM 0 HZ1 LYS X 23 -0.032 2.233 15.940 1.00 0.00 H new ATOM 0 HZ2 LYS X 23 1.141 3.387 15.520 1.00 0.00 H new ATOM 0 HZ3 LYS X 23 -0.294 3.268 14.620 1.00 0.00 H new ATOM 397 N LYS X 24 0.953 -2.681 11.028 1.00 0.00 N ATOM 398 CA LYS X 24 0.040 -3.727 10.697 1.00 0.00 C ATOM 399 C LYS X 24 -1.098 -3.820 11.684 1.00 0.00 C ATOM 400 O LYS X 24 -0.895 -3.868 12.897 1.00 0.00 O ATOM 401 CB LYS X 24 0.753 -5.078 10.639 1.00 0.00 C ATOM 402 CG LYS X 24 -0.189 -6.250 10.363 1.00 0.00 C ATOM 403 CD LYS X 24 0.287 -7.564 10.962 1.00 0.00 C ATOM 404 CE LYS X 24 1.608 -8.051 10.412 1.00 0.00 C ATOM 405 NZ LYS X 24 1.933 -9.392 10.938 1.00 0.00 N ATOM 0 H LYS X 24 1.450 -2.820 11.908 1.00 0.00 H new ATOM 0 HA LYS X 24 -0.367 -3.481 9.716 1.00 0.00 H new ATOM 0 HB2 LYS X 24 1.517 -5.044 9.862 1.00 0.00 H new ATOM 0 HB3 LYS X 24 1.268 -5.250 11.584 1.00 0.00 H new ATOM 0 HG2 LYS X 24 -1.176 -6.014 10.761 1.00 0.00 H new ATOM 0 HG3 LYS X 24 -0.301 -6.370 9.285 1.00 0.00 H new ATOM 0 HD2 LYS X 24 0.376 -7.447 12.042 1.00 0.00 H new ATOM 0 HD3 LYS X 24 -0.471 -8.327 10.786 1.00 0.00 H new ATOM 0 HE2 LYS X 24 1.564 -8.083 9.323 1.00 0.00 H new ATOM 0 HE3 LYS X 24 2.399 -7.350 10.678 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 2.791 -9.750 10.471 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 2.096 -9.332 11.963 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 1.141 -10.040 10.751 1.00 0.00 H new ATOM 419 N SER X 25 -2.263 -3.777 11.147 1.00 0.00 N ATOM 420 CA SER X 25 -3.485 -4.070 11.819 1.00 0.00 C ATOM 421 C SER X 25 -4.369 -4.556 10.708 1.00 0.00 C ATOM 422 O SER X 25 -4.393 -3.893 9.656 1.00 0.00 O ATOM 423 CB SER X 25 -4.044 -2.780 12.448 1.00 0.00 C ATOM 424 OG SER X 25 -4.123 -1.733 11.470 1.00 0.00 O ATOM 0 H SER X 25 -2.401 -3.522 10.169 1.00 0.00 H new ATOM 0 HA SER X 25 -3.390 -4.794 12.628 1.00 0.00 H new ATOM 0 HB2 SER X 25 -5.033 -2.971 12.864 1.00 0.00 H new ATOM 0 HB3 SER X 25 -3.406 -2.466 13.274 1.00 0.00 H new ATOM 0 HG SER X 25 -4.122 -2.124 10.571 1.00 0.00 H new ATOM 430 N SER X 26 -5.062 -5.660 10.827 1.00 0.00 N ATOM 431 CA SER X 26 -5.831 -6.011 9.684 1.00 0.00 C ATOM 432 C SER X 26 -7.233 -5.482 9.819 1.00 0.00 C ATOM 433 O SER X 26 -8.090 -6.055 10.488 1.00 0.00 O ATOM 434 CB SER X 26 -5.811 -7.536 9.485 1.00 0.00 C ATOM 435 OG SER X 26 -6.160 -8.211 10.695 1.00 0.00 O ATOM 0 H SER X 26 -5.106 -6.280 11.636 1.00 0.00 H new ATOM 0 HA SER X 26 -5.392 -5.555 8.797 1.00 0.00 H new ATOM 0 HB2 SER X 26 -6.509 -7.813 8.695 1.00 0.00 H new ATOM 0 HB3 SER X 26 -4.820 -7.852 9.160 1.00 0.00 H new ATOM 0 HG SER X 26 -6.931 -7.768 11.106 1.00 0.00 H new ATOM 441 N ASP X 27 -7.402 -4.350 9.223 1.00 0.00 N ATOM 442 CA ASP X 27 -8.637 -3.675 9.011 1.00 0.00 C ATOM 443 C ASP X 27 -8.616 -3.243 7.621 1.00 0.00 C ATOM 444 O ASP X 27 -7.846 -2.343 7.305 1.00 0.00 O ATOM 445 CB ASP X 27 -8.755 -2.481 9.906 1.00 0.00 C ATOM 446 CG ASP X 27 -8.835 -2.813 11.374 1.00 0.00 C ATOM 447 OD1 ASP X 27 -9.939 -3.141 11.858 1.00 0.00 O ATOM 448 OD2 ASP X 27 -7.811 -2.727 12.075 1.00 0.00 O ATOM 0 H ASP X 27 -6.613 -3.830 8.840 1.00 0.00 H new ATOM 0 HA ASP X 27 -9.482 -4.328 9.230 1.00 0.00 H new ATOM 0 HB2 ASP X 27 -7.897 -1.830 9.739 1.00 0.00 H new ATOM 0 HB3 ASP X 27 -9.644 -1.916 9.624 1.00 0.00 H new ATOM 453 N LEU X 28 -9.391 -3.831 6.776 1.00 0.00 N ATOM 454 CA LEU X 28 -9.331 -3.464 5.380 1.00 0.00 C ATOM 455 C LEU X 28 -9.747 -2.008 5.234 1.00 0.00 C ATOM 456 O LEU X 28 -9.022 -1.224 4.646 1.00 0.00 O ATOM 457 CB LEU X 28 -10.232 -4.380 4.547 1.00 0.00 C ATOM 458 CG LEU X 28 -10.178 -4.199 3.028 1.00 0.00 C ATOM 459 CD1 LEU X 28 -8.826 -4.601 2.481 1.00 0.00 C ATOM 460 CD2 LEU X 28 -11.276 -4.987 2.358 1.00 0.00 C ATOM 0 H LEU X 28 -10.068 -4.558 7.009 1.00 0.00 H new ATOM 0 HA LEU X 28 -8.312 -3.582 5.012 1.00 0.00 H new ATOM 0 HB2 LEU X 28 -9.972 -5.413 4.776 1.00 0.00 H new ATOM 0 HB3 LEU X 28 -11.262 -4.231 4.871 1.00 0.00 H new ATOM 0 HG LEU X 28 -10.330 -3.142 2.810 1.00 0.00 H new ATOM 0 HD11 LEU X 28 -8.815 -4.463 1.400 1.00 0.00 H new ATOM 0 HD12 LEU X 28 -8.052 -3.982 2.934 1.00 0.00 H new ATOM 0 HD13 LEU X 28 -8.636 -5.649 2.715 1.00 0.00 H new ATOM 0 HD21 LEU X 28 -11.220 -4.844 1.279 1.00 0.00 H new ATOM 0 HD22 LEU X 28 -11.158 -6.045 2.591 1.00 0.00 H new ATOM 0 HD23 LEU X 28 -12.244 -4.641 2.720 1.00 0.00 H new ATOM 472 N ASP X 29 -10.861 -1.660 5.857 1.00 0.00 N ATOM 473 CA ASP X 29 -11.387 -0.292 5.842 1.00 0.00 C ATOM 474 C ASP X 29 -10.418 0.647 6.501 1.00 0.00 C ATOM 475 O ASP X 29 -10.021 1.686 5.936 1.00 0.00 O ATOM 476 CB ASP X 29 -12.688 -0.201 6.623 1.00 0.00 C ATOM 477 CG ASP X 29 -13.770 -1.125 6.138 1.00 0.00 C ATOM 478 OD1 ASP X 29 -14.396 -0.857 5.110 1.00 0.00 O ATOM 479 OD2 ASP X 29 -14.004 -2.171 6.792 1.00 0.00 O ATOM 0 H ASP X 29 -11.432 -2.315 6.391 1.00 0.00 H new ATOM 0 HA ASP X 29 -11.548 -0.023 4.798 1.00 0.00 H new ATOM 0 HB2 ASP X 29 -12.484 -0.419 7.671 1.00 0.00 H new ATOM 0 HB3 ASP X 29 -13.055 0.824 6.576 1.00 0.00 H new ATOM 484 N GLU X 30 -10.001 0.250 7.704 1.00 0.00 N ATOM 485 CA GLU X 30 -9.136 1.050 8.527 1.00 0.00 C ATOM 486 C GLU X 30 -7.803 1.345 7.931 1.00 0.00 C ATOM 487 O GLU X 30 -7.268 2.391 8.149 1.00 0.00 O ATOM 488 CB GLU X 30 -9.090 0.705 9.994 1.00 0.00 C ATOM 489 CG GLU X 30 -10.437 0.790 10.693 1.00 0.00 C ATOM 490 CD GLU X 30 -10.286 0.725 12.180 1.00 0.00 C ATOM 491 OE1 GLU X 30 -9.281 1.242 12.697 1.00 0.00 O ATOM 492 OE2 GLU X 30 -11.146 0.167 12.855 1.00 0.00 O ATOM 0 H GLU X 30 -10.263 -0.642 8.124 1.00 0.00 H new ATOM 0 HA GLU X 30 -9.662 2.005 8.527 1.00 0.00 H new ATOM 0 HB2 GLU X 30 -8.697 -0.305 10.107 1.00 0.00 H new ATOM 0 HB3 GLU X 30 -8.391 1.376 10.493 1.00 0.00 H new ATOM 0 HG2 GLU X 30 -10.934 1.720 10.417 1.00 0.00 H new ATOM 0 HG3 GLU X 30 -11.076 -0.026 10.355 1.00 0.00 H new ATOM 499 N CYS X 31 -7.234 0.407 7.248 1.00 0.00 N ATOM 500 CA CYS X 31 -5.922 0.628 6.634 1.00 0.00 C ATOM 501 C CYS X 31 -5.940 1.868 5.727 1.00 0.00 C ATOM 502 O CYS X 31 -5.014 2.680 5.764 1.00 0.00 O ATOM 503 CB CYS X 31 -5.427 -0.621 5.854 1.00 0.00 C ATOM 504 SG CYS X 31 -4.864 -2.027 6.870 1.00 0.00 S ATOM 0 H CYS X 31 -7.634 -0.518 7.089 1.00 0.00 H new ATOM 0 HA CYS X 31 -5.214 0.806 7.444 1.00 0.00 H new ATOM 0 HB2 CYS X 31 -6.235 -0.965 5.209 1.00 0.00 H new ATOM 0 HB3 CYS X 31 -4.607 -0.317 5.204 1.00 0.00 H new ATOM 509 N LYS X 32 -6.999 2.026 4.954 1.00 0.00 N ATOM 510 CA LYS X 32 -7.116 3.173 4.047 1.00 0.00 C ATOM 511 C LYS X 32 -7.189 4.398 4.862 1.00 0.00 C ATOM 512 O LYS X 32 -6.540 5.381 4.573 1.00 0.00 O ATOM 513 CB LYS X 32 -8.336 3.143 3.103 1.00 0.00 C ATOM 514 CG LYS X 32 -8.441 2.027 2.105 1.00 0.00 C ATOM 515 CD LYS X 32 -8.044 0.696 2.621 1.00 0.00 C ATOM 516 CE LYS X 32 -8.207 -0.379 1.549 1.00 0.00 C ATOM 517 NZ LYS X 32 -7.544 -1.640 1.894 1.00 0.00 N ATOM 0 H LYS X 32 -7.791 1.383 4.930 1.00 0.00 H new ATOM 0 HA LYS X 32 -6.239 3.138 3.401 1.00 0.00 H new ATOM 0 HB2 LYS X 32 -9.233 3.120 3.721 1.00 0.00 H new ATOM 0 HB3 LYS X 32 -8.352 4.083 2.552 1.00 0.00 H new ATOM 0 HG2 LYS X 32 -9.470 1.972 1.749 1.00 0.00 H new ATOM 0 HG3 LYS X 32 -7.818 2.268 1.244 1.00 0.00 H new ATOM 0 HD2 LYS X 32 -7.007 0.726 2.955 1.00 0.00 H new ATOM 0 HD3 LYS X 32 -8.652 0.443 3.490 1.00 0.00 H new ATOM 0 HE2 LYS X 32 -9.269 -0.566 1.389 1.00 0.00 H new ATOM 0 HE3 LYS X 32 -7.803 -0.009 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS X 32 -7.854 -2.386 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS X 32 -6.513 -1.521 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS X 32 -7.794 -1.909 2.867 1.00 0.00 H new ATOM 531 N LYS X 33 -8.001 4.303 5.917 1.00 0.00 N ATOM 532 CA LYS X 33 -8.248 5.400 6.797 1.00 0.00 C ATOM 533 C LYS X 33 -6.921 5.844 7.435 1.00 0.00 C ATOM 534 O LYS X 33 -6.640 7.033 7.518 1.00 0.00 O ATOM 535 CB LYS X 33 -9.312 5.046 7.889 1.00 0.00 C ATOM 536 CG LYS X 33 -8.695 4.658 9.211 1.00 0.00 C ATOM 537 CD LYS X 33 -9.683 4.394 10.313 1.00 0.00 C ATOM 538 CE LYS X 33 -8.974 4.371 11.669 1.00 0.00 C ATOM 539 NZ LYS X 33 -7.901 3.341 11.785 1.00 0.00 N ATOM 0 H LYS X 33 -8.499 3.449 6.169 1.00 0.00 H new ATOM 0 HA LYS X 33 -8.664 6.224 6.217 1.00 0.00 H new ATOM 0 HB2 LYS X 33 -9.969 5.902 8.039 1.00 0.00 H new ATOM 0 HB3 LYS X 33 -9.934 4.226 7.530 1.00 0.00 H new ATOM 0 HG2 LYS X 33 -8.088 3.765 9.065 1.00 0.00 H new ATOM 0 HG3 LYS X 33 -8.021 5.453 9.529 1.00 0.00 H new ATOM 0 HD2 LYS X 33 -10.454 5.164 10.311 1.00 0.00 H new ATOM 0 HD3 LYS X 33 -10.184 3.441 10.141 1.00 0.00 H new ATOM 0 HE2 LYS X 33 -8.540 5.353 11.855 1.00 0.00 H new ATOM 0 HE3 LYS X 33 -9.714 4.197 12.450 1.00 0.00 H new ATOM 0 HZ1 LYS X 33 -7.167 3.676 12.442 1.00 0.00 H new ATOM 0 HZ2 LYS X 33 -8.308 2.454 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS X 33 -7.478 3.173 10.850 1.00 0.00 H new ATOM 553 N THR X 34 -6.108 4.863 7.886 1.00 0.00 N ATOM 554 CA THR X 34 -4.853 5.147 8.469 1.00 0.00 C ATOM 555 C THR X 34 -3.966 5.819 7.449 1.00 0.00 C ATOM 556 O THR X 34 -3.269 6.790 7.760 1.00 0.00 O ATOM 557 CB THR X 34 -4.216 3.917 9.111 1.00 0.00 C ATOM 558 OG1 THR X 34 -5.199 3.319 10.009 1.00 0.00 O ATOM 559 CG2 THR X 34 -3.009 4.346 9.926 1.00 0.00 C ATOM 0 H THR X 34 -6.335 3.870 7.840 1.00 0.00 H new ATOM 0 HA THR X 34 -4.997 5.842 9.296 1.00 0.00 H new ATOM 0 HB THR X 34 -3.906 3.206 8.345 1.00 0.00 H new ATOM 0 HG1 THR X 34 -5.911 2.900 9.482 1.00 0.00 H new ATOM 0 HG21 THR X 34 -2.551 3.471 10.386 1.00 0.00 H new ATOM 0 HG22 THR X 34 -2.285 4.834 9.274 1.00 0.00 H new ATOM 0 HG23 THR X 34 -3.324 5.042 10.704 1.00 0.00 H new ATOM 567 N CYS X 35 -4.006 5.309 6.219 1.00 0.00 N ATOM 568 CA CYS X 35 -3.294 5.959 5.160 1.00 0.00 C ATOM 569 C CYS X 35 -3.719 7.405 4.901 1.00 0.00 C ATOM 570 O CYS X 35 -2.868 8.284 4.728 1.00 0.00 O ATOM 571 CB CYS X 35 -3.018 5.104 3.931 1.00 0.00 C ATOM 572 SG CYS X 35 -1.434 4.206 4.031 1.00 0.00 S ATOM 0 H CYS X 35 -4.516 4.467 5.951 1.00 0.00 H new ATOM 0 HA CYS X 35 -2.288 6.078 5.562 1.00 0.00 H new ATOM 0 HB2 CYS X 35 -3.829 4.387 3.804 1.00 0.00 H new ATOM 0 HB3 CYS X 35 -3.014 5.740 3.046 1.00 0.00 H new ATOM 577 N PHE X 36 -5.012 7.676 4.960 1.00 0.00 N ATOM 578 CA PHE X 36 -5.505 9.036 4.758 1.00 0.00 C ATOM 579 C PHE X 36 -4.948 9.906 5.872 1.00 0.00 C ATOM 580 O PHE X 36 -4.678 11.096 5.671 1.00 0.00 O ATOM 581 CB PHE X 36 -7.048 9.150 4.849 1.00 0.00 C ATOM 582 CG PHE X 36 -7.863 8.239 3.979 1.00 0.00 C ATOM 583 CD1 PHE X 36 -7.441 7.865 2.720 1.00 0.00 C ATOM 584 CD2 PHE X 36 -9.072 7.745 4.450 1.00 0.00 C ATOM 585 CE1 PHE X 36 -8.209 7.018 1.954 1.00 0.00 C ATOM 586 CE2 PHE X 36 -9.838 6.899 3.684 1.00 0.00 C ATOM 587 CZ PHE X 36 -9.406 6.535 2.436 1.00 0.00 C ATOM 0 H PHE X 36 -5.737 6.982 5.144 1.00 0.00 H new ATOM 0 HA PHE X 36 -5.192 9.342 3.760 1.00 0.00 H new ATOM 0 HB2 PHE X 36 -7.338 8.974 5.885 1.00 0.00 H new ATOM 0 HB3 PHE X 36 -7.324 10.177 4.611 1.00 0.00 H new ATOM 0 HD1 PHE X 36 -6.504 8.238 2.334 1.00 0.00 H new ATOM 0 HD2 PHE X 36 -9.416 8.030 5.433 1.00 0.00 H new ATOM 0 HE1 PHE X 36 -7.871 6.730 0.969 1.00 0.00 H new ATOM 0 HE2 PHE X 36 -10.776 6.523 4.064 1.00 0.00 H new ATOM 0 HZ PHE X 36 -10.003 5.870 1.830 1.00 0.00 H new ATOM 597 N LYS X 37 -4.829 9.322 7.056 1.00 0.00 N ATOM 598 CA LYS X 37 -4.379 10.048 8.201 1.00 0.00 C ATOM 599 C LYS X 37 -2.970 10.678 8.145 1.00 0.00 C ATOM 600 O LYS X 37 -2.896 11.871 8.476 1.00 0.00 O ATOM 601 CB LYS X 37 -4.524 9.250 9.501 1.00 0.00 C ATOM 602 CG LYS X 37 -5.951 9.025 9.964 1.00 0.00 C ATOM 603 CD LYS X 37 -5.974 8.328 11.317 1.00 0.00 C ATOM 604 CE LYS X 37 -7.396 8.097 11.805 1.00 0.00 C ATOM 605 NZ LYS X 37 -7.437 7.425 13.129 1.00 0.00 N ATOM 0 H LYS X 37 -5.043 8.341 7.234 1.00 0.00 H new ATOM 0 HA LYS X 37 -5.065 10.895 8.187 1.00 0.00 H new ATOM 0 HB2 LYS X 37 -4.045 8.280 9.369 1.00 0.00 H new ATOM 0 HB3 LYS X 37 -3.980 9.769 10.290 1.00 0.00 H new ATOM 0 HG2 LYS X 37 -6.471 9.980 10.033 1.00 0.00 H new ATOM 0 HG3 LYS X 37 -6.486 8.423 9.230 1.00 0.00 H new ATOM 0 HD2 LYS X 37 -5.455 7.373 11.243 1.00 0.00 H new ATOM 0 HD3 LYS X 37 -5.432 8.930 12.046 1.00 0.00 H new ATOM 0 HE2 LYS X 37 -7.915 9.053 11.869 1.00 0.00 H new ATOM 0 HE3 LYS X 37 -7.934 7.491 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS X 37 -8.427 7.289 13.419 1.00 0.00 H new ATOM 0 HZ2 LYS X 37 -6.966 6.500 13.064 1.00 0.00 H new ATOM 0 HZ3 LYS X 37 -6.948 8.014 13.833 1.00 0.00 H new ATOM 619 N THR X 38 -1.806 9.956 7.827 1.00 0.00 N ATOM 620 CA THR X 38 -0.573 10.783 7.974 1.00 0.00 C ATOM 621 C THR X 38 -0.431 11.842 6.788 1.00 0.00 C ATOM 622 O THR X 38 -1.437 12.239 6.187 1.00 0.00 O ATOM 623 CB THR X 38 0.595 9.756 7.878 1.00 0.00 C ATOM 624 OG1 THR X 38 0.165 8.526 8.473 1.00 0.00 O ATOM 625 CG2 THR X 38 1.846 10.222 8.616 1.00 0.00 C ATOM 0 H THR X 38 -1.717 8.986 7.525 1.00 0.00 H new ATOM 0 HA THR X 38 -0.585 11.350 8.905 1.00 0.00 H new ATOM 0 HB THR X 38 0.847 9.640 6.824 1.00 0.00 H new ATOM 0 HG1 THR X 38 0.888 7.867 8.420 1.00 0.00 H new ATOM 0 HG21 THR X 38 2.628 9.469 8.517 1.00 0.00 H new ATOM 0 HG22 THR X 38 2.191 11.163 8.188 1.00 0.00 H new ATOM 0 HG23 THR X 38 1.613 10.367 9.671 1.00 0.00 H new ATOM 633 N GLU X 39 0.798 12.241 6.370 1.00 0.00 N ATOM 634 CA GLU X 39 1.116 12.706 5.016 1.00 0.00 C ATOM 635 C GLU X 39 1.357 11.592 4.051 1.00 0.00 C ATOM 636 O GLU X 39 0.747 11.406 3.013 1.00 0.00 O ATOM 637 CB GLU X 39 2.263 13.691 5.039 1.00 0.00 C ATOM 638 CG GLU X 39 1.999 14.901 5.904 1.00 0.00 C ATOM 639 CD GLU X 39 3.225 15.738 6.093 1.00 0.00 C ATOM 640 OE1 GLU X 39 3.485 16.621 5.259 1.00 0.00 O ATOM 641 OE2 GLU X 39 3.950 15.531 7.081 1.00 0.00 O ATOM 0 H GLU X 39 1.608 12.244 6.989 1.00 0.00 H new ATOM 0 HA GLU X 39 0.231 13.224 4.648 1.00 0.00 H new ATOM 0 HB2 GLU X 39 3.159 13.185 5.399 1.00 0.00 H new ATOM 0 HB3 GLU X 39 2.470 14.020 4.021 1.00 0.00 H new ATOM 0 HG2 GLU X 39 1.214 15.506 5.450 1.00 0.00 H new ATOM 0 HG3 GLU X 39 1.629 14.577 6.877 1.00 0.00 H new ATOM 648 N TYR X 40 2.344 10.873 4.528 1.00 0.00 N ATOM 649 CA TYR X 40 3.102 9.838 3.892 1.00 0.00 C ATOM 650 C TYR X 40 2.375 8.629 3.548 1.00 0.00 C ATOM 651 O TYR X 40 2.801 7.887 2.674 1.00 0.00 O ATOM 652 CB TYR X 40 4.418 9.572 4.598 1.00 0.00 C ATOM 653 CG TYR X 40 5.245 10.824 4.737 1.00 0.00 C ATOM 654 CD1 TYR X 40 5.852 11.398 3.630 1.00 0.00 C ATOM 655 CD2 TYR X 40 5.386 11.450 5.962 1.00 0.00 C ATOM 656 CE1 TYR X 40 6.584 12.558 3.744 1.00 0.00 C ATOM 657 CE2 TYR X 40 6.112 12.614 6.081 1.00 0.00 C ATOM 658 CZ TYR X 40 6.710 13.161 4.973 1.00 0.00 C ATOM 659 OH TYR X 40 7.436 14.329 5.096 1.00 0.00 O ATOM 0 H TYR X 40 2.668 11.022 5.484 1.00 0.00 H new ATOM 0 HA TYR X 40 3.339 10.253 2.912 1.00 0.00 H new ATOM 0 HB2 TYR X 40 4.222 9.155 5.586 1.00 0.00 H new ATOM 0 HB3 TYR X 40 4.983 8.824 4.042 1.00 0.00 H new ATOM 0 HD1 TYR X 40 5.749 10.927 2.663 1.00 0.00 H new ATOM 0 HD2 TYR X 40 4.921 11.020 6.837 1.00 0.00 H new ATOM 0 HE1 TYR X 40 7.056 12.991 2.874 1.00 0.00 H new ATOM 0 HE2 TYR X 40 6.211 13.095 7.043 1.00 0.00 H new ATOM 0 HH TYR X 40 7.425 14.624 6.030 1.00 0.00 H new ATOM 669 N CYS X 41 1.387 8.330 4.325 1.00 0.00 N ATOM 670 CA CYS X 41 0.729 7.048 4.186 1.00 0.00 C ATOM 671 C CYS X 41 -0.083 7.009 2.877 1.00 0.00 C ATOM 672 O CYS X 41 -1.221 7.410 2.810 1.00 0.00 O ATOM 673 CB CYS X 41 -0.109 6.728 5.430 1.00 0.00 C ATOM 674 SG CYS X 41 -0.547 4.938 5.729 1.00 0.00 S ATOM 0 H CYS X 41 1.013 8.936 5.055 1.00 0.00 H new ATOM 0 HA CYS X 41 1.478 6.259 4.116 1.00 0.00 H new ATOM 0 HB2 CYS X 41 0.431 7.094 6.304 1.00 0.00 H new ATOM 0 HB3 CYS X 41 -1.037 7.297 5.367 1.00 0.00 H new ATOM 679 N TYR X 42 0.588 6.642 1.828 1.00 0.00 N ATOM 680 CA TYR X 42 0.005 6.529 0.521 1.00 0.00 C ATOM 681 C TYR X 42 0.468 5.242 -0.161 1.00 0.00 C ATOM 682 O TYR X 42 0.134 4.974 -1.308 1.00 0.00 O ATOM 683 CB TYR X 42 0.307 7.807 -0.335 1.00 0.00 C ATOM 684 CG TYR X 42 1.746 8.307 -0.268 1.00 0.00 C ATOM 685 CD1 TYR X 42 2.793 7.439 -0.412 1.00 0.00 C ATOM 686 CD2 TYR X 42 2.043 9.645 -0.015 1.00 0.00 C ATOM 687 CE1 TYR X 42 4.085 7.845 -0.320 1.00 0.00 C ATOM 688 CE2 TYR X 42 3.363 10.069 0.086 1.00 0.00 C ATOM 689 CZ TYR X 42 4.377 9.147 -0.073 1.00 0.00 C ATOM 690 OH TYR X 42 5.697 9.520 0.045 1.00 0.00 O ATOM 0 H TYR X 42 1.580 6.407 1.855 1.00 0.00 H new ATOM 0 HA TYR X 42 -1.079 6.467 0.619 1.00 0.00 H new ATOM 0 HB2 TYR X 42 0.061 7.595 -1.375 1.00 0.00 H new ATOM 0 HB3 TYR X 42 -0.355 8.609 -0.008 1.00 0.00 H new ATOM 0 HD1 TYR X 42 2.585 6.397 -0.605 1.00 0.00 H new ATOM 0 HD2 TYR X 42 1.241 10.358 0.104 1.00 0.00 H new ATOM 0 HE1 TYR X 42 4.884 7.129 -0.444 1.00 0.00 H new ATOM 0 HE2 TYR X 42 3.592 11.105 0.286 1.00 0.00 H new ATOM 0 HH TYR X 42 5.750 10.483 0.220 1.00 0.00 H new ATOM 700 N ILE X 43 1.230 4.425 0.558 1.00 0.00 N ATOM 701 CA ILE X 43 1.683 3.161 -0.003 1.00 0.00 C ATOM 702 C ILE X 43 1.212 2.119 0.939 1.00 0.00 C ATOM 703 O ILE X 43 1.278 2.316 2.138 1.00 0.00 O ATOM 704 CB ILE X 43 3.242 3.028 -0.158 1.00 0.00 C ATOM 705 CG1 ILE X 43 3.855 4.190 -0.935 1.00 0.00 C ATOM 706 CG2 ILE X 43 3.628 1.701 -0.809 1.00 0.00 C ATOM 707 CD1 ILE X 43 3.210 4.496 -2.263 1.00 0.00 C ATOM 0 H ILE X 43 1.541 4.611 1.511 1.00 0.00 H new ATOM 0 HA ILE X 43 1.286 3.073 -1.014 1.00 0.00 H new ATOM 0 HB ILE X 43 3.649 3.056 0.853 1.00 0.00 H new ATOM 0 HG12 ILE X 43 3.808 5.084 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE X 43 4.910 3.974 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE X 43 4.713 1.643 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE X 43 3.271 0.876 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE X 43 3.176 1.636 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE X 43 3.722 5.337 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE X 43 3.280 3.623 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE X 43 2.161 4.750 -2.108 1.00 0.00 H new ATOM 719 N VAL X 44 0.681 1.067 0.448 1.00 0.00 N ATOM 720 CA VAL X 44 0.184 0.060 1.314 1.00 0.00 C ATOM 721 C VAL X 44 0.611 -1.274 0.743 1.00 0.00 C ATOM 722 O VAL X 44 0.790 -1.390 -0.494 1.00 0.00 O ATOM 723 CB VAL X 44 -1.361 0.077 1.381 1.00 0.00 C ATOM 724 CG1 VAL X 44 -1.909 -0.618 2.615 1.00 0.00 C ATOM 725 CG2 VAL X 44 -2.004 1.449 1.130 1.00 0.00 C ATOM 0 H VAL X 44 0.577 0.876 -0.548 1.00 0.00 H new ATOM 0 HA VAL X 44 0.573 0.231 2.318 1.00 0.00 H new ATOM 0 HB VAL X 44 -1.671 -0.523 0.525 1.00 0.00 H new ATOM 0 HG11 VAL X 44 -2.998 -0.573 2.605 1.00 0.00 H new ATOM 0 HG12 VAL X 44 -1.589 -1.660 2.618 1.00 0.00 H new ATOM 0 HG13 VAL X 44 -1.534 -0.121 3.509 1.00 0.00 H new ATOM 0 HG21 VAL X 44 -3.088 1.360 1.198 1.00 0.00 H new ATOM 0 HG22 VAL X 44 -1.651 2.159 1.878 1.00 0.00 H new ATOM 0 HG23 VAL X 44 -1.730 1.803 0.136 1.00 0.00 H new ATOM 735 N PHE X 45 0.862 -2.233 1.590 1.00 0.00 N ATOM 736 CA PHE X 45 1.062 -3.580 1.135 1.00 0.00 C ATOM 737 C PHE X 45 0.037 -4.418 1.835 1.00 0.00 C ATOM 738 O PHE X 45 -0.072 -4.380 3.065 1.00 0.00 O ATOM 739 CB PHE X 45 2.477 -4.114 1.460 1.00 0.00 C ATOM 740 CG PHE X 45 3.616 -3.385 0.797 1.00 0.00 C ATOM 741 CD1 PHE X 45 3.446 -2.755 -0.421 1.00 0.00 C ATOM 742 CD2 PHE X 45 4.856 -3.330 1.394 1.00 0.00 C ATOM 743 CE1 PHE X 45 4.478 -2.089 -1.020 1.00 0.00 C ATOM 744 CE2 PHE X 45 5.893 -2.665 0.791 1.00 0.00 C ATOM 745 CZ PHE X 45 5.698 -2.045 -0.410 1.00 0.00 C ATOM 0 H PHE X 45 0.933 -2.107 2.600 1.00 0.00 H new ATOM 0 HA PHE X 45 0.963 -3.616 0.050 1.00 0.00 H new ATOM 0 HB2 PHE X 45 2.622 -4.073 2.539 1.00 0.00 H new ATOM 0 HB3 PHE X 45 2.525 -5.164 1.172 1.00 0.00 H new ATOM 0 HD1 PHE X 45 2.482 -2.789 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE X 45 5.013 -3.815 2.346 1.00 0.00 H new ATOM 0 HE1 PHE X 45 4.329 -1.600 -1.971 1.00 0.00 H new ATOM 0 HE2 PHE X 45 6.863 -2.632 1.265 1.00 0.00 H new ATOM 0 HZ PHE X 45 6.514 -1.517 -0.880 1.00 0.00 H new ATOM 755 N GLU X 46 -0.677 -5.206 1.104 1.00 0.00 N ATOM 756 CA GLU X 46 -1.730 -5.981 1.723 1.00 0.00 C ATOM 757 C GLU X 46 -1.530 -7.460 1.444 1.00 0.00 C ATOM 758 O GLU X 46 -1.237 -7.841 0.322 1.00 0.00 O ATOM 759 CB GLU X 46 -3.111 -5.455 1.307 1.00 0.00 C ATOM 760 CG GLU X 46 -3.317 -3.954 1.662 1.00 0.00 C ATOM 761 CD GLU X 46 -4.764 -3.484 1.637 1.00 0.00 C ATOM 762 OE1 GLU X 46 -5.674 -4.330 1.541 1.00 0.00 O ATOM 763 OE2 GLU X 46 -5.020 -2.258 1.751 1.00 0.00 O ATOM 0 H GLU X 46 -0.565 -5.338 0.099 1.00 0.00 H new ATOM 0 HA GLU X 46 -1.681 -5.864 2.806 1.00 0.00 H new ATOM 0 HB2 GLU X 46 -3.238 -5.590 0.233 1.00 0.00 H new ATOM 0 HB3 GLU X 46 -3.883 -6.049 1.796 1.00 0.00 H new ATOM 0 HG2 GLU X 46 -2.908 -3.771 2.655 1.00 0.00 H new ATOM 0 HG3 GLU X 46 -2.741 -3.348 0.963 1.00 0.00 H new ATOM 770 N ASP X 47 -1.654 -8.278 2.469 1.00 0.00 N ATOM 771 CA ASP X 47 -1.303 -9.701 2.370 1.00 0.00 C ATOM 772 C ASP X 47 -2.513 -10.539 2.015 1.00 0.00 C ATOM 773 O ASP X 47 -3.572 -10.430 2.669 1.00 0.00 O ATOM 774 CB ASP X 47 -0.683 -10.192 3.685 1.00 0.00 C ATOM 775 CG ASP X 47 -0.008 -11.545 3.574 1.00 0.00 C ATOM 776 OD1 ASP X 47 -0.653 -12.519 3.185 1.00 0.00 O ATOM 777 OD2 ASP X 47 1.166 -11.657 3.931 1.00 0.00 O ATOM 0 H ASP X 47 -1.995 -7.992 3.387 1.00 0.00 H new ATOM 0 HA ASP X 47 -0.569 -9.811 1.572 1.00 0.00 H new ATOM 0 HB2 ASP X 47 0.047 -9.459 4.028 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -1.462 -10.246 4.446 1.00 0.00 H new ATOM 782 N THR X 48 -2.350 -11.368 1.009 1.00 0.00 N ATOM 783 CA THR X 48 -3.394 -12.226 0.503 1.00 0.00 C ATOM 784 C THR X 48 -3.333 -13.638 1.156 1.00 0.00 C ATOM 785 O THR X 48 -4.362 -14.301 1.332 1.00 0.00 O ATOM 786 CB THR X 48 -3.253 -12.355 -1.046 1.00 0.00 C ATOM 787 OG1 THR X 48 -3.255 -11.040 -1.644 1.00 0.00 O ATOM 788 CG2 THR X 48 -4.392 -13.173 -1.649 1.00 0.00 C ATOM 0 H THR X 48 -1.466 -11.466 0.509 1.00 0.00 H new ATOM 0 HA THR X 48 -4.357 -11.780 0.754 1.00 0.00 H new ATOM 0 HB THR X 48 -2.313 -12.868 -1.252 1.00 0.00 H new ATOM 0 HG1 THR X 48 -3.165 -11.123 -2.616 1.00 0.00 H new ATOM 0 HG21 THR X 48 -4.259 -13.241 -2.729 1.00 0.00 H new ATOM 0 HG22 THR X 48 -4.388 -14.175 -1.219 1.00 0.00 H new ATOM 0 HG23 THR X 48 -5.344 -12.688 -1.430 1.00 0.00 H new ATOM 796 N VAL X 49 -2.147 -14.072 1.537 1.00 0.00 N ATOM 797 CA VAL X 49 -1.946 -15.427 2.061 1.00 0.00 C ATOM 798 C VAL X 49 -2.343 -15.501 3.530 1.00 0.00 C ATOM 799 O VAL X 49 -3.093 -16.384 3.960 1.00 0.00 O ATOM 800 CB VAL X 49 -0.459 -15.871 1.903 1.00 0.00 C ATOM 801 CG1 VAL X 49 -0.241 -17.294 2.413 1.00 0.00 C ATOM 802 CG2 VAL X 49 -0.008 -15.756 0.456 1.00 0.00 C ATOM 0 H VAL X 49 -1.298 -13.509 1.496 1.00 0.00 H new ATOM 0 HA VAL X 49 -2.580 -16.101 1.484 1.00 0.00 H new ATOM 0 HB VAL X 49 0.146 -15.198 2.511 1.00 0.00 H new ATOM 0 HG11 VAL X 49 0.806 -17.569 2.287 1.00 0.00 H new ATOM 0 HG12 VAL X 49 -0.505 -17.347 3.469 1.00 0.00 H new ATOM 0 HG13 VAL X 49 -0.868 -17.983 1.847 1.00 0.00 H new ATOM 0 HG21 VAL X 49 1.032 -16.071 0.373 1.00 0.00 H new ATOM 0 HG22 VAL X 49 -0.632 -16.393 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL X 49 -0.101 -14.721 0.127 1.00 0.00 H new ATOM 812 N ASN X 50 -1.879 -14.529 4.246 1.00 0.00 N ATOM 813 CA ASN X 50 -2.021 -14.400 5.690 1.00 0.00 C ATOM 814 C ASN X 50 -3.186 -13.518 6.020 1.00 0.00 C ATOM 815 O ASN X 50 -3.589 -13.430 7.176 1.00 0.00 O ATOM 816 CB ASN X 50 -0.747 -13.737 6.256 1.00 0.00 C ATOM 817 CG ASN X 50 0.506 -14.560 6.029 1.00 0.00 C ATOM 818 OD1 ASN X 50 0.880 -15.400 6.848 1.00 0.00 O ATOM 819 ND2 ASN X 50 1.197 -14.298 4.939 1.00 0.00 N ATOM 0 H ASN X 50 -1.360 -13.754 3.833 1.00 0.00 H new ATOM 0 HA ASN X 50 -2.175 -15.389 6.120 1.00 0.00 H new ATOM 0 HB2 ASN X 50 -0.619 -12.758 5.795 1.00 0.00 H new ATOM 0 HB3 ASN X 50 -0.876 -13.571 7.326 1.00 0.00 H new ATOM 0 HD21 ASN X 50 2.068 -14.797 4.755 1.00 0.00 H new ATOM 0 HD22 ASN X 50 0.862 -13.597 4.279 1.00 0.00 H new ATOM 826 N LYS X 51 -3.741 -12.891 4.983 1.00 0.00 N ATOM 827 CA LYS X 51 -4.790 -11.865 5.097 1.00 0.00 C ATOM 828 C LYS X 51 -4.458 -10.823 6.158 1.00 0.00 C ATOM 829 O LYS X 51 -5.071 -10.740 7.230 1.00 0.00 O ATOM 830 CB LYS X 51 -6.284 -12.351 5.141 1.00 0.00 C ATOM 831 CG LYS X 51 -6.759 -13.200 6.327 1.00 0.00 C ATOM 832 CD LYS X 51 -6.313 -14.645 6.250 1.00 0.00 C ATOM 833 CE LYS X 51 -6.830 -15.435 7.438 1.00 0.00 C ATOM 834 NZ LYS X 51 -6.305 -14.942 8.727 1.00 0.00 N ATOM 0 H LYS X 51 -3.472 -13.083 4.018 1.00 0.00 H new ATOM 0 HA LYS X 51 -4.760 -11.379 4.122 1.00 0.00 H new ATOM 0 HB2 LYS X 51 -6.919 -11.466 5.096 1.00 0.00 H new ATOM 0 HB3 LYS X 51 -6.470 -12.923 4.232 1.00 0.00 H new ATOM 0 HG2 LYS X 51 -6.384 -12.761 7.252 1.00 0.00 H new ATOM 0 HG3 LYS X 51 -7.847 -13.166 6.376 1.00 0.00 H new ATOM 0 HD2 LYS X 51 -6.675 -15.093 5.325 1.00 0.00 H new ATOM 0 HD3 LYS X 51 -5.224 -14.693 6.222 1.00 0.00 H new ATOM 0 HE2 LYS X 51 -7.919 -15.388 7.453 1.00 0.00 H new ATOM 0 HE3 LYS X 51 -6.557 -16.483 7.317 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 -6.536 -15.622 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 -5.273 -14.834 8.663 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 -6.736 -14.022 8.948 1.00 0.00 H new ATOM 848 N GLU X 52 -3.442 -10.071 5.858 1.00 0.00 N ATOM 849 CA GLU X 52 -2.910 -9.084 6.760 1.00 0.00 C ATOM 850 C GLU X 52 -2.724 -7.772 6.015 1.00 0.00 C ATOM 851 O GLU X 52 -2.998 -7.702 4.813 1.00 0.00 O ATOM 852 CB GLU X 52 -1.597 -9.578 7.422 1.00 0.00 C ATOM 853 CG GLU X 52 -1.786 -10.752 8.377 1.00 0.00 C ATOM 854 CD GLU X 52 -0.539 -11.079 9.160 1.00 0.00 C ATOM 855 OE1 GLU X 52 0.331 -11.779 8.658 1.00 0.00 O ATOM 856 OE2 GLU X 52 -0.404 -10.610 10.313 1.00 0.00 O ATOM 0 H GLU X 52 -2.949 -10.124 4.967 1.00 0.00 H new ATOM 0 HA GLU X 52 -3.616 -8.917 7.573 1.00 0.00 H new ATOM 0 HB2 GLU X 52 -0.895 -9.869 6.640 1.00 0.00 H new ATOM 0 HB3 GLU X 52 -1.143 -8.750 7.966 1.00 0.00 H new ATOM 0 HG2 GLU X 52 -2.595 -10.523 9.071 1.00 0.00 H new ATOM 0 HG3 GLU X 52 -2.093 -11.630 7.809 1.00 0.00 H new ATOM 863 N CYS X 53 -2.266 -6.746 6.686 1.00 0.00 N ATOM 864 CA CYS X 53 -2.173 -5.445 6.068 1.00 0.00 C ATOM 865 C CYS X 53 -1.049 -4.651 6.682 1.00 0.00 C ATOM 866 O CYS X 53 -0.967 -4.550 7.896 1.00 0.00 O ATOM 867 CB CYS X 53 -3.512 -4.694 6.264 1.00 0.00 C ATOM 868 SG CYS X 53 -3.550 -2.983 5.638 1.00 0.00 S ATOM 0 H CYS X 53 -1.953 -6.784 7.656 1.00 0.00 H new ATOM 0 HA CYS X 53 -1.970 -5.567 5.004 1.00 0.00 H new ATOM 0 HB2 CYS X 53 -4.302 -5.261 5.771 1.00 0.00 H new ATOM 0 HB3 CYS X 53 -3.748 -4.678 7.328 1.00 0.00 H new ATOM 873 N TYR X 54 -0.176 -4.129 5.861 1.00 0.00 N ATOM 874 CA TYR X 54 0.840 -3.223 6.316 1.00 0.00 C ATOM 875 C TYR X 54 0.674 -1.944 5.566 1.00 0.00 C ATOM 876 O TYR X 54 0.662 -1.932 4.340 1.00 0.00 O ATOM 877 CB TYR X 54 2.263 -3.745 6.061 1.00 0.00 C ATOM 878 CG TYR X 54 2.918 -4.509 7.195 1.00 0.00 C ATOM 879 CD1 TYR X 54 3.379 -3.838 8.313 1.00 0.00 C ATOM 880 CD2 TYR X 54 3.116 -5.874 7.134 1.00 0.00 C ATOM 881 CE1 TYR X 54 4.010 -4.494 9.338 1.00 0.00 C ATOM 882 CE2 TYR X 54 3.756 -6.548 8.159 1.00 0.00 C ATOM 883 CZ TYR X 54 4.200 -5.848 9.260 1.00 0.00 C ATOM 884 OH TYR X 54 4.837 -6.506 10.291 1.00 0.00 O ATOM 0 H TYR X 54 -0.151 -4.321 4.860 1.00 0.00 H new ATOM 0 HA TYR X 54 0.723 -3.099 7.393 1.00 0.00 H new ATOM 0 HB2 TYR X 54 2.237 -4.392 5.184 1.00 0.00 H new ATOM 0 HB3 TYR X 54 2.898 -2.895 5.811 1.00 0.00 H new ATOM 0 HD1 TYR X 54 3.238 -2.769 8.380 1.00 0.00 H new ATOM 0 HD2 TYR X 54 2.766 -6.424 6.273 1.00 0.00 H new ATOM 0 HE1 TYR X 54 4.355 -3.946 10.202 1.00 0.00 H new ATOM 0 HE2 TYR X 54 3.907 -7.616 8.097 1.00 0.00 H new ATOM 0 HH TYR X 54 4.892 -7.462 10.084 1.00 0.00 H new ATOM 894 N TYR X 55 0.594 -0.887 6.266 1.00 0.00 N ATOM 895 CA TYR X 55 0.460 0.398 5.627 1.00 0.00 C ATOM 896 C TYR X 55 1.693 1.236 5.819 1.00 0.00 C ATOM 897 O TYR X 55 2.214 1.357 6.944 1.00 0.00 O ATOM 898 CB TYR X 55 -0.868 1.119 5.989 1.00 0.00 C ATOM 899 CG TYR X 55 -1.300 0.984 7.433 1.00 0.00 C ATOM 900 CD1 TYR X 55 -0.740 1.744 8.444 1.00 0.00 C ATOM 901 CD2 TYR X 55 -2.286 0.072 7.774 1.00 0.00 C ATOM 902 CE1 TYR X 55 -1.159 1.594 9.753 1.00 0.00 C ATOM 903 CE2 TYR X 55 -2.708 -0.081 9.069 1.00 0.00 C ATOM 904 CZ TYR X 55 -2.147 0.679 10.057 1.00 0.00 C ATOM 905 OH TYR X 55 -2.573 0.524 11.361 1.00 0.00 O ATOM 0 H TYR X 55 0.617 -0.863 7.285 1.00 0.00 H new ATOM 0 HA TYR X 55 0.382 0.224 4.554 1.00 0.00 H new ATOM 0 HB2 TYR X 55 -0.763 2.178 5.755 1.00 0.00 H new ATOM 0 HB3 TYR X 55 -1.661 0.728 5.351 1.00 0.00 H new ATOM 0 HD1 TYR X 55 0.032 2.462 8.209 1.00 0.00 H new ATOM 0 HD2 TYR X 55 -2.733 -0.534 7.000 1.00 0.00 H new ATOM 0 HE1 TYR X 55 -0.715 2.191 10.536 1.00 0.00 H new ATOM 0 HE2 TYR X 55 -3.480 -0.798 9.308 1.00 0.00 H new ATOM 0 HH TYR X 55 -3.112 -0.291 11.434 1.00 0.00 H new ATOM 915 N ASN X 56 2.199 1.738 4.705 1.00 0.00 N ATOM 916 CA ASN X 56 3.436 2.549 4.679 1.00 0.00 C ATOM 917 C ASN X 56 3.208 3.903 5.224 1.00 0.00 C ATOM 918 O ASN X 56 2.428 4.676 4.660 1.00 0.00 O ATOM 919 CB ASN X 56 4.012 2.624 3.261 1.00 0.00 C ATOM 920 CG ASN X 56 5.013 3.757 3.052 1.00 0.00 C ATOM 921 OD1 ASN X 56 6.199 3.614 3.292 1.00 0.00 O ATOM 922 ND2 ASN X 56 4.524 4.877 2.580 1.00 0.00 N ATOM 0 H ASN X 56 1.775 1.603 3.787 1.00 0.00 H new ATOM 0 HA ASN X 56 4.166 2.053 5.319 1.00 0.00 H new ATOM 0 HB2 ASN X 56 4.498 1.677 3.028 1.00 0.00 H new ATOM 0 HB3 ASN X 56 3.192 2.744 2.553 1.00 0.00 H new ATOM 0 HD21 ASN X 56 5.142 5.668 2.401 1.00 0.00 H new ATOM 0 HD22 ASN X 56 3.525 4.958 2.392 1.00 0.00 H new ATOM 929 N VAL X 57 3.953 4.226 6.268 1.00 0.00 N ATOM 930 CA VAL X 57 3.731 5.494 6.965 1.00 0.00 C ATOM 931 C VAL X 57 4.858 6.491 6.734 1.00 0.00 C ATOM 932 O VAL X 57 4.833 7.615 7.258 1.00 0.00 O ATOM 933 CB VAL X 57 3.471 5.314 8.498 1.00 0.00 C ATOM 934 CG1 VAL X 57 2.228 4.470 8.744 1.00 0.00 C ATOM 935 CG2 VAL X 57 4.677 4.711 9.209 1.00 0.00 C ATOM 0 H VAL X 57 4.701 3.647 6.649 1.00 0.00 H new ATOM 0 HA VAL X 57 2.822 5.903 6.525 1.00 0.00 H new ATOM 0 HB VAL X 57 3.304 6.307 8.916 1.00 0.00 H new ATOM 0 HG11 VAL X 57 2.069 4.360 9.817 1.00 0.00 H new ATOM 0 HG12 VAL X 57 1.362 4.959 8.297 1.00 0.00 H new ATOM 0 HG13 VAL X 57 2.361 3.486 8.294 1.00 0.00 H new ATOM 0 HG21 VAL X 57 4.456 4.602 10.271 1.00 0.00 H new ATOM 0 HG22 VAL X 57 4.899 3.733 8.782 1.00 0.00 H new ATOM 0 HG23 VAL X 57 5.539 5.366 9.083 1.00 0.00 H new ATOM 945 N VAL X 58 5.832 6.102 5.953 1.00 0.00 N ATOM 946 CA VAL X 58 6.970 6.985 5.669 1.00 0.00 C ATOM 947 C VAL X 58 6.976 7.269 4.163 1.00 0.00 C ATOM 948 O VAL X 58 5.993 6.972 3.483 1.00 0.00 O ATOM 949 CB VAL X 58 8.330 6.343 6.170 1.00 0.00 C ATOM 950 CG1 VAL X 58 9.494 7.348 6.240 1.00 0.00 C ATOM 951 CG2 VAL X 58 8.146 5.698 7.521 1.00 0.00 C ATOM 0 H VAL X 58 5.875 5.190 5.498 1.00 0.00 H new ATOM 0 HA VAL X 58 6.871 7.925 6.211 1.00 0.00 H new ATOM 0 HB VAL X 58 8.596 5.593 5.426 1.00 0.00 H new ATOM 0 HG11 VAL X 58 10.393 6.840 6.590 1.00 0.00 H new ATOM 0 HG12 VAL X 58 9.675 7.764 5.249 1.00 0.00 H new ATOM 0 HG13 VAL X 58 9.239 8.152 6.930 1.00 0.00 H new ATOM 0 HG21 VAL X 58 9.090 5.263 7.848 1.00 0.00 H new ATOM 0 HG22 VAL X 58 7.824 6.449 8.242 1.00 0.00 H new ATOM 0 HG23 VAL X 58 7.391 4.915 7.451 1.00 0.00 H new ATOM 961 N ASP X 59 8.001 7.903 3.672 1.00 0.00 N ATOM 962 CA ASP X 59 8.139 8.223 2.261 1.00 0.00 C ATOM 963 C ASP X 59 8.131 6.971 1.426 1.00 0.00 C ATOM 964 O ASP X 59 9.134 6.264 1.304 1.00 0.00 O ATOM 965 CB ASP X 59 9.408 9.038 1.958 1.00 0.00 C ATOM 966 CG ASP X 59 9.360 10.459 2.452 1.00 0.00 C ATOM 967 OD1 ASP X 59 9.469 10.682 3.672 1.00 0.00 O ATOM 968 OD2 ASP X 59 9.223 11.378 1.628 1.00 0.00 O ATOM 0 H ASP X 59 8.784 8.222 4.242 1.00 0.00 H new ATOM 0 HA ASP X 59 7.280 8.842 2.001 1.00 0.00 H new ATOM 0 HB2 ASP X 59 10.265 8.537 2.409 1.00 0.00 H new ATOM 0 HB3 ASP X 59 9.574 9.045 0.881 1.00 0.00 H new ATOM 973 N GLY X 60 7.005 6.706 0.867 1.00 0.00 N ATOM 974 CA GLY X 60 6.812 5.562 0.068 1.00 0.00 C ATOM 975 C GLY X 60 6.901 5.936 -1.366 1.00 0.00 C ATOM 976 O GLY X 60 6.899 5.087 -2.226 1.00 0.00 O ATOM 0 H GLY X 60 6.177 7.295 0.958 1.00 0.00 H new ATOM 0 HA2 GLY X 60 7.564 4.809 0.305 1.00 0.00 H new ATOM 0 HA3 GLY X 60 5.839 5.118 0.279 1.00 0.00 H new ATOM 980 N GLU X 61 6.995 7.248 -1.621 1.00 0.00 N ATOM 981 CA GLU X 61 7.262 7.757 -2.955 1.00 0.00 C ATOM 982 C GLU X 61 8.646 7.283 -3.359 1.00 0.00 C ATOM 983 O GLU X 61 8.952 7.110 -4.533 1.00 0.00 O ATOM 984 CB GLU X 61 7.180 9.294 -2.980 1.00 0.00 C ATOM 985 CG GLU X 61 8.079 9.987 -1.959 1.00 0.00 C ATOM 986 CD GLU X 61 7.979 11.490 -2.003 1.00 0.00 C ATOM 987 OE1 GLU X 61 6.939 12.047 -1.616 1.00 0.00 O ATOM 988 OE2 GLU X 61 8.955 12.144 -2.391 1.00 0.00 O ATOM 0 H GLU X 61 6.888 7.972 -0.911 1.00 0.00 H new ATOM 0 HA GLU X 61 6.516 7.386 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU X 61 7.445 9.644 -3.977 1.00 0.00 H new ATOM 0 HB3 GLU X 61 6.148 9.594 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU X 61 7.816 9.641 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU X 61 9.113 9.693 -2.137 1.00 0.00 H new ATOM 995 N GLU X 62 9.456 7.027 -2.337 1.00 0.00 N ATOM 996 CA GLU X 62 10.771 6.500 -2.481 1.00 0.00 C ATOM 997 C GLU X 62 10.709 5.020 -2.837 1.00 0.00 C ATOM 998 O GLU X 62 11.639 4.484 -3.449 1.00 0.00 O ATOM 999 CB GLU X 62 11.574 6.700 -1.187 1.00 0.00 C ATOM 1000 CG GLU X 62 12.969 6.097 -1.230 1.00 0.00 C ATOM 1001 CD GLU X 62 13.700 6.184 0.073 1.00 0.00 C ATOM 1002 OE1 GLU X 62 13.337 5.460 1.014 1.00 0.00 O ATOM 1003 OE2 GLU X 62 14.677 6.964 0.178 1.00 0.00 O ATOM 0 H GLU X 62 9.190 7.192 -1.366 1.00 0.00 H new ATOM 0 HA GLU X 62 11.272 7.035 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU X 62 11.656 7.768 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU X 62 11.023 6.258 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU X 62 12.894 5.051 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU X 62 13.552 6.605 -1.999 1.00 0.00 H new ATOM 1010 N LEU X 63 9.605 4.363 -2.508 1.00 0.00 N ATOM 1011 CA LEU X 63 9.537 2.944 -2.759 1.00 0.00 C ATOM 1012 C LEU X 63 9.192 2.727 -4.200 1.00 0.00 C ATOM 1013 O LEU X 63 8.086 3.022 -4.643 1.00 0.00 O ATOM 1014 CB LEU X 63 8.567 2.216 -1.810 1.00 0.00 C ATOM 1015 CG LEU X 63 8.899 2.304 -0.316 1.00 0.00 C ATOM 1016 CD1 LEU X 63 7.836 1.598 0.510 1.00 0.00 C ATOM 1017 CD2 LEU X 63 10.274 1.711 -0.030 1.00 0.00 C ATOM 0 H LEU X 63 8.776 4.778 -2.082 1.00 0.00 H new ATOM 0 HA LEU X 63 10.513 2.505 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU X 63 7.567 2.620 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU X 63 8.533 1.164 -2.093 1.00 0.00 H new ATOM 0 HG LEU X 63 8.915 3.357 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU X 63 8.089 1.671 1.568 1.00 0.00 H new ATOM 0 HD12 LEU X 63 6.868 2.068 0.335 1.00 0.00 H new ATOM 0 HD13 LEU X 63 7.788 0.548 0.220 1.00 0.00 H new ATOM 0 HD21 LEU X 63 10.487 1.785 1.036 1.00 0.00 H new ATOM 0 HD22 LEU X 63 10.288 0.664 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU X 63 11.031 2.260 -0.590 1.00 0.00 H new ATOM 1029 N ASP X 64 10.175 2.335 -4.946 1.00 0.00 N ATOM 1030 CA ASP X 64 10.006 2.119 -6.346 1.00 0.00 C ATOM 1031 C ASP X 64 9.738 0.662 -6.596 1.00 0.00 C ATOM 1032 O ASP X 64 10.566 -0.205 -6.255 1.00 0.00 O ATOM 1033 CB ASP X 64 11.227 2.565 -7.114 1.00 0.00 C ATOM 1034 CG ASP X 64 10.989 2.611 -8.600 1.00 0.00 C ATOM 1035 OD1 ASP X 64 11.057 1.571 -9.274 1.00 0.00 O ATOM 1036 OD2 ASP X 64 10.784 3.710 -9.127 1.00 0.00 O ATOM 0 H ASP X 64 11.118 2.156 -4.601 1.00 0.00 H new ATOM 0 HA ASP X 64 9.159 2.711 -6.693 1.00 0.00 H new ATOM 0 HB2 ASP X 64 11.529 3.553 -6.767 1.00 0.00 H new ATOM 0 HB3 ASP X 64 12.053 1.886 -6.903 1.00 0.00 H new ATOM 1041 N GLN X 65 8.636 0.421 -7.229 1.00 0.00 N ATOM 1042 CA GLN X 65 8.106 -0.902 -7.513 1.00 0.00 C ATOM 1043 C GLN X 65 9.022 -1.709 -8.390 1.00 0.00 C ATOM 1044 O GLN X 65 9.206 -2.908 -8.212 1.00 0.00 O ATOM 1045 CB GLN X 65 6.718 -0.828 -8.167 1.00 0.00 C ATOM 1046 CG GLN X 65 6.500 0.168 -9.325 1.00 0.00 C ATOM 1047 CD GLN X 65 6.483 1.626 -8.904 1.00 0.00 C ATOM 1048 OE1 GLN X 65 7.512 2.294 -8.896 1.00 0.00 O ATOM 1049 NE2 GLN X 65 5.343 2.114 -8.536 1.00 0.00 N ATOM 0 H GLN X 65 8.041 1.169 -7.586 1.00 0.00 H new ATOM 0 HA GLN X 65 8.022 -1.402 -6.548 1.00 0.00 H new ATOM 0 HB2 GLN X 65 6.472 -1.824 -8.536 1.00 0.00 H new ATOM 0 HB3 GLN X 65 5.996 -0.591 -7.386 1.00 0.00 H new ATOM 0 HG2 GLN X 65 7.288 0.025 -10.064 1.00 0.00 H new ATOM 0 HG3 GLN X 65 5.556 -0.066 -9.817 1.00 0.00 H new ATOM 0 HE21 GLN X 65 4.508 1.529 -8.556 1.00 0.00 H new ATOM 0 HE22 GLN X 65 5.279 3.084 -8.226 1.00 0.00 H new ATOM 1058 N GLU X 66 9.596 -1.055 -9.326 1.00 0.00 N ATOM 1059 CA GLU X 66 10.501 -1.688 -10.258 1.00 0.00 C ATOM 1060 C GLU X 66 11.771 -2.240 -9.574 1.00 0.00 C ATOM 1061 O GLU X 66 12.405 -3.142 -10.098 1.00 0.00 O ATOM 1062 CB GLU X 66 10.841 -0.761 -11.411 1.00 0.00 C ATOM 1063 CG GLU X 66 9.631 -0.314 -12.223 1.00 0.00 C ATOM 1064 CD GLU X 66 10.021 0.575 -13.375 1.00 0.00 C ATOM 1065 OE1 GLU X 66 10.534 1.680 -13.147 1.00 0.00 O ATOM 1066 OE2 GLU X 66 9.833 0.172 -14.541 1.00 0.00 O ATOM 0 H GLU X 66 9.462 -0.056 -9.484 1.00 0.00 H new ATOM 0 HA GLU X 66 9.977 -2.551 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU X 66 11.348 0.120 -11.018 1.00 0.00 H new ATOM 0 HB3 GLU X 66 11.545 -1.265 -12.074 1.00 0.00 H new ATOM 0 HG2 GLU X 66 9.106 -1.190 -12.603 1.00 0.00 H new ATOM 0 HG3 GLU X 66 8.935 0.218 -11.574 1.00 0.00 H new ATOM 1073 N LYS X 67 12.119 -1.731 -8.397 1.00 0.00 N ATOM 1074 CA LYS X 67 13.293 -2.254 -7.675 1.00 0.00 C ATOM 1075 C LYS X 67 12.883 -3.262 -6.610 1.00 0.00 C ATOM 1076 O LYS X 67 13.711 -3.770 -5.847 1.00 0.00 O ATOM 1077 CB LYS X 67 14.194 -1.145 -7.085 1.00 0.00 C ATOM 1078 CG LYS X 67 14.861 -0.263 -8.137 1.00 0.00 C ATOM 1079 CD LYS X 67 13.911 0.769 -8.695 1.00 0.00 C ATOM 1080 CE LYS X 67 14.402 1.329 -10.011 1.00 0.00 C ATOM 1081 NZ LYS X 67 13.502 2.385 -10.523 1.00 0.00 N ATOM 0 H LYS X 67 11.624 -0.975 -7.924 1.00 0.00 H new ATOM 0 HA LYS X 67 13.900 -2.770 -8.419 1.00 0.00 H new ATOM 0 HB2 LYS X 67 13.595 -0.517 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS X 67 14.966 -1.607 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS X 67 15.723 0.238 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS X 67 15.236 -0.887 -8.948 1.00 0.00 H new ATOM 0 HD2 LYS X 67 12.928 0.320 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS X 67 13.792 1.580 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS X 67 15.405 1.736 -9.882 1.00 0.00 H new ATOM 0 HE3 LYS X 67 14.475 0.526 -10.744 1.00 0.00 H new ATOM 0 HZ1 LYS X 67 13.759 2.615 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS X 67 12.519 2.048 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS X 67 13.594 3.236 -9.932 1.00 0.00 H new ATOM 1095 N PHE X 68 11.615 -3.559 -6.602 1.00 0.00 N ATOM 1096 CA PHE X 68 11.023 -4.542 -5.727 1.00 0.00 C ATOM 1097 C PHE X 68 11.265 -5.938 -6.258 1.00 0.00 C ATOM 1098 O PHE X 68 11.381 -6.136 -7.462 1.00 0.00 O ATOM 1099 CB PHE X 68 9.520 -4.255 -5.531 1.00 0.00 C ATOM 1100 CG PHE X 68 9.231 -3.453 -4.287 1.00 0.00 C ATOM 1101 CD1 PHE X 68 9.962 -2.313 -3.987 1.00 0.00 C ATOM 1102 CD2 PHE X 68 8.255 -3.855 -3.398 1.00 0.00 C ATOM 1103 CE1 PHE X 68 9.727 -1.606 -2.821 1.00 0.00 C ATOM 1104 CE2 PHE X 68 8.019 -3.157 -2.248 1.00 0.00 C ATOM 1105 CZ PHE X 68 8.751 -2.036 -1.950 1.00 0.00 C ATOM 0 H PHE X 68 10.940 -3.112 -7.222 1.00 0.00 H new ATOM 0 HA PHE X 68 11.499 -4.477 -4.749 1.00 0.00 H new ATOM 0 HB2 PHE X 68 9.142 -3.716 -6.400 1.00 0.00 H new ATOM 0 HB3 PHE X 68 8.979 -5.200 -5.482 1.00 0.00 H new ATOM 0 HD1 PHE X 68 10.724 -1.973 -4.672 1.00 0.00 H new ATOM 0 HD2 PHE X 68 7.669 -4.736 -3.615 1.00 0.00 H new ATOM 0 HE1 PHE X 68 10.306 -0.722 -2.595 1.00 0.00 H new ATOM 0 HE2 PHE X 68 7.250 -3.491 -1.568 1.00 0.00 H new ATOM 0 HZ PHE X 68 8.563 -1.493 -1.036 1.00 0.00 H new ATOM 1115 N VAL X 69 11.384 -6.890 -5.378 1.00 0.00 N ATOM 1116 CA VAL X 69 11.616 -8.275 -5.782 1.00 0.00 C ATOM 1117 C VAL X 69 10.439 -9.073 -5.279 1.00 0.00 C ATOM 1118 O VAL X 69 9.888 -8.749 -4.287 1.00 0.00 O ATOM 1119 CB VAL X 69 12.938 -8.832 -5.174 1.00 0.00 C ATOM 1120 CG1 VAL X 69 13.167 -10.279 -5.580 1.00 0.00 C ATOM 1121 CG2 VAL X 69 14.124 -7.977 -5.595 1.00 0.00 C ATOM 0 H VAL X 69 11.326 -6.747 -4.370 1.00 0.00 H new ATOM 0 HA VAL X 69 11.714 -8.341 -6.866 1.00 0.00 H new ATOM 0 HB VAL X 69 12.843 -8.794 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL X 69 14.097 -10.638 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL X 69 12.338 -10.892 -5.226 1.00 0.00 H new ATOM 0 HG13 VAL X 69 13.230 -10.347 -6.666 1.00 0.00 H new ATOM 0 HG21 VAL X 69 15.038 -8.383 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL X 69 14.207 -7.980 -6.682 1.00 0.00 H new ATOM 0 HG23 VAL X 69 13.978 -6.955 -5.245 1.00 0.00 H new ATOM 1131 N VAL X 70 10.021 -10.063 -5.978 1.00 0.00 N ATOM 1132 CA VAL X 70 8.782 -10.713 -5.623 1.00 0.00 C ATOM 1133 C VAL X 70 8.764 -11.457 -4.265 1.00 0.00 C ATOM 1134 O VAL X 70 9.476 -12.436 -4.051 1.00 0.00 O ATOM 1135 CB VAL X 70 8.249 -11.599 -6.781 1.00 0.00 C ATOM 1136 CG1 VAL X 70 9.280 -12.637 -7.232 1.00 0.00 C ATOM 1137 CG2 VAL X 70 6.931 -12.274 -6.421 1.00 0.00 C ATOM 0 H VAL X 70 10.500 -10.449 -6.792 1.00 0.00 H new ATOM 0 HA VAL X 70 8.089 -9.886 -5.465 1.00 0.00 H new ATOM 0 HB VAL X 70 8.064 -10.928 -7.620 1.00 0.00 H new ATOM 0 HG11 VAL X 70 8.864 -13.234 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL X 70 10.180 -12.129 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL X 70 9.531 -13.288 -6.395 1.00 0.00 H new ATOM 0 HG21 VAL X 70 6.594 -12.884 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL X 70 7.074 -12.907 -5.545 1.00 0.00 H new ATOM 0 HG23 VAL X 70 6.181 -11.514 -6.201 1.00 0.00 H new ATOM 1147 N ASP X 71 7.941 -10.934 -3.347 1.00 0.00 N ATOM 1148 CA ASP X 71 7.559 -11.616 -2.144 1.00 0.00 C ATOM 1149 C ASP X 71 6.037 -11.639 -2.170 1.00 0.00 C ATOM 1150 O ASP X 71 5.364 -10.651 -1.819 1.00 0.00 O ATOM 1151 CB ASP X 71 8.126 -10.900 -0.929 1.00 0.00 C ATOM 1152 CG ASP X 71 7.847 -11.588 0.366 1.00 0.00 C ATOM 1153 OD1 ASP X 71 8.196 -12.782 0.526 1.00 0.00 O ATOM 1154 OD2 ASP X 71 7.270 -10.949 1.243 1.00 0.00 O ATOM 0 H ASP X 71 7.525 -10.007 -3.439 1.00 0.00 H new ATOM 0 HA ASP X 71 7.952 -12.631 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP X 71 9.205 -10.799 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP X 71 7.714 -9.892 -0.889 1.00 0.00 H new ATOM 1159 N GLU X 72 5.554 -12.757 -2.673 1.00 0.00 N ATOM 1160 CA GLU X 72 4.170 -13.027 -3.127 1.00 0.00 C ATOM 1161 C GLU X 72 3.082 -12.821 -2.085 1.00 0.00 C ATOM 1162 O GLU X 72 1.926 -12.640 -2.445 1.00 0.00 O ATOM 1163 CB GLU X 72 4.031 -14.477 -3.647 1.00 0.00 C ATOM 1164 CG GLU X 72 5.294 -15.129 -4.213 1.00 0.00 C ATOM 1165 CD GLU X 72 6.211 -15.662 -3.127 1.00 0.00 C ATOM 1166 OE1 GLU X 72 6.042 -16.809 -2.708 1.00 0.00 O ATOM 1167 OE2 GLU X 72 7.102 -14.923 -2.657 1.00 0.00 O ATOM 0 H GLU X 72 6.151 -13.575 -2.792 1.00 0.00 H new ATOM 0 HA GLU X 72 4.016 -12.286 -3.911 1.00 0.00 H new ATOM 0 HB2 GLU X 72 3.665 -15.098 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU X 72 3.266 -14.488 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU X 72 5.011 -15.945 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU X 72 5.836 -14.400 -4.816 1.00 0.00 H new ATOM 1174 N ASN X 73 3.426 -12.905 -0.825 1.00 0.00 N ATOM 1175 CA ASN X 73 2.420 -12.795 0.254 1.00 0.00 C ATOM 1176 C ASN X 73 1.627 -11.479 0.220 1.00 0.00 C ATOM 1177 O ASN X 73 0.403 -11.477 0.372 1.00 0.00 O ATOM 1178 CB ASN X 73 3.025 -13.047 1.648 1.00 0.00 C ATOM 1179 CG ASN X 73 4.287 -12.252 1.923 1.00 0.00 C ATOM 1180 OD1 ASN X 73 4.520 -11.195 1.350 1.00 0.00 O ATOM 1181 ND2 ASN X 73 5.101 -12.738 2.806 1.00 0.00 N ATOM 0 H ASN X 73 4.382 -13.048 -0.501 1.00 0.00 H new ATOM 0 HA ASN X 73 1.703 -13.592 0.056 1.00 0.00 H new ATOM 0 HB2 ASN X 73 2.281 -12.802 2.406 1.00 0.00 H new ATOM 0 HB3 ASN X 73 3.247 -14.109 1.750 1.00 0.00 H new ATOM 0 HD21 ASN X 73 5.959 -12.238 3.038 1.00 0.00 H new ATOM 0 HD22 ASN X 73 4.884 -13.620 3.269 1.00 0.00 H new ATOM 1188 N PHE X 74 2.308 -10.391 -0.028 1.00 0.00 N ATOM 1189 CA PHE X 74 1.675 -9.094 -0.074 1.00 0.00 C ATOM 1190 C PHE X 74 1.511 -8.633 -1.491 1.00 0.00 C ATOM 1191 O PHE X 74 2.159 -9.133 -2.402 1.00 0.00 O ATOM 1192 CB PHE X 74 2.443 -8.011 0.726 1.00 0.00 C ATOM 1193 CG PHE X 74 2.416 -8.149 2.234 1.00 0.00 C ATOM 1194 CD1 PHE X 74 3.289 -8.982 2.893 1.00 0.00 C ATOM 1195 CD2 PHE X 74 1.516 -7.420 2.984 1.00 0.00 C ATOM 1196 CE1 PHE X 74 3.266 -9.094 4.263 1.00 0.00 C ATOM 1197 CE2 PHE X 74 1.483 -7.526 4.356 1.00 0.00 C ATOM 1198 CZ PHE X 74 2.361 -8.367 4.997 1.00 0.00 C ATOM 0 H PHE X 74 3.313 -10.376 -0.203 1.00 0.00 H new ATOM 0 HA PHE X 74 0.700 -9.222 0.396 1.00 0.00 H new ATOM 0 HB2 PHE X 74 3.483 -8.017 0.400 1.00 0.00 H new ATOM 0 HB3 PHE X 74 2.033 -7.036 0.464 1.00 0.00 H new ATOM 0 HD1 PHE X 74 4.005 -9.558 2.325 1.00 0.00 H new ATOM 0 HD2 PHE X 74 0.826 -6.755 2.486 1.00 0.00 H new ATOM 0 HE1 PHE X 74 3.960 -9.754 4.762 1.00 0.00 H new ATOM 0 HE2 PHE X 74 0.770 -6.950 4.927 1.00 0.00 H new ATOM 0 HZ PHE X 74 2.339 -8.456 6.073 1.00 0.00 H new ATOM 1208 N THR X 75 0.738 -7.620 -1.640 1.00 0.00 N ATOM 1209 CA THR X 75 0.443 -7.037 -2.884 1.00 0.00 C ATOM 1210 C THR X 75 0.980 -5.628 -2.804 1.00 0.00 C ATOM 1211 O THR X 75 0.790 -4.964 -1.759 1.00 0.00 O ATOM 1212 CB THR X 75 -1.108 -7.036 -3.022 1.00 0.00 C ATOM 1213 OG1 THR X 75 -1.712 -6.428 -1.882 1.00 0.00 O ATOM 1214 CG2 THR X 75 -1.631 -8.455 -3.132 1.00 0.00 C ATOM 0 H THR X 75 0.275 -7.158 -0.857 1.00 0.00 H new ATOM 0 HA THR X 75 0.876 -7.558 -3.738 1.00 0.00 H new ATOM 0 HB THR X 75 -1.359 -6.473 -3.921 1.00 0.00 H new ATOM 0 HG1 THR X 75 -1.734 -7.070 -1.142 1.00 0.00 H new ATOM 0 HG21 THR X 75 -2.717 -8.436 -3.228 1.00 0.00 H new ATOM 0 HG22 THR X 75 -1.198 -8.936 -4.009 1.00 0.00 H new ATOM 0 HG23 THR X 75 -1.355 -9.015 -2.238 1.00 0.00 H new ATOM 1222 N GLU X 76 1.709 -5.163 -3.831 1.00 0.00 N ATOM 1223 CA GLU X 76 2.272 -3.852 -3.708 1.00 0.00 C ATOM 1224 C GLU X 76 1.385 -2.872 -4.431 1.00 0.00 C ATOM 1225 O GLU X 76 1.135 -3.002 -5.643 1.00 0.00 O ATOM 1226 CB GLU X 76 3.761 -3.780 -4.197 1.00 0.00 C ATOM 1227 CG GLU X 76 3.970 -3.871 -5.718 1.00 0.00 C ATOM 1228 CD GLU X 76 5.419 -3.779 -6.178 1.00 0.00 C ATOM 1229 OE1 GLU X 76 6.166 -2.932 -5.676 1.00 0.00 O ATOM 1230 OE2 GLU X 76 5.796 -4.519 -7.097 1.00 0.00 O ATOM 0 H GLU X 76 1.903 -5.659 -4.701 1.00 0.00 H new ATOM 0 HA GLU X 76 2.312 -3.588 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU X 76 4.195 -2.844 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU X 76 4.319 -4.588 -3.723 1.00 0.00 H new ATOM 0 HG2 GLU X 76 3.552 -4.814 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU X 76 3.402 -3.073 -6.196 1.00 0.00 H new ATOM 1237 N ASN X 77 0.898 -1.896 -3.726 1.00 0.00 N ATOM 1238 CA ASN X 77 0.029 -0.960 -4.351 1.00 0.00 C ATOM 1239 C ASN X 77 0.337 0.436 -3.883 1.00 0.00 C ATOM 1240 O ASN X 77 0.333 0.729 -2.674 1.00 0.00 O ATOM 1241 CB ASN X 77 -1.461 -1.420 -4.247 1.00 0.00 C ATOM 1242 CG ASN X 77 -1.998 -1.804 -2.868 1.00 0.00 C ATOM 1243 OD1 ASN X 77 -1.556 -1.187 -1.831 1.00 0.00 O flip ATOM 1244 ND2 ASN X 77 -2.853 -2.673 -2.772 1.00 0.00 N flip ATOM 0 H ASN X 77 1.086 -1.732 -2.737 1.00 0.00 H new ATOM 0 HA ASN X 77 0.210 -0.928 -5.425 1.00 0.00 H new ATOM 0 HB2 ASN X 77 -2.087 -0.617 -4.637 1.00 0.00 H new ATOM 0 HB3 ASN X 77 -1.593 -2.277 -4.907 1.00 0.00 H new ATOM 0 HD21 ASN X 77 -3.191 -3.151 -3.608 1.00 0.00 H new ATOM 0 HD22 ASN X 77 -3.229 -2.920 -1.856 1.00 0.00 H new ATOM 1251 N TYR X 78 0.644 1.287 -4.837 1.00 0.00 N ATOM 1252 CA TYR X 78 1.188 2.611 -4.542 1.00 0.00 C ATOM 1253 C TYR X 78 0.238 3.670 -5.017 1.00 0.00 C ATOM 1254 O TYR X 78 -0.246 3.604 -6.152 1.00 0.00 O ATOM 1255 CB TYR X 78 2.580 2.831 -5.251 1.00 0.00 C ATOM 1256 CG TYR X 78 3.648 1.804 -4.938 1.00 0.00 C ATOM 1257 CD1 TYR X 78 3.533 0.494 -5.357 1.00 0.00 C ATOM 1258 CD2 TYR X 78 4.771 2.154 -4.214 1.00 0.00 C ATOM 1259 CE1 TYR X 78 4.498 -0.423 -5.061 1.00 0.00 C ATOM 1260 CE2 TYR X 78 5.735 1.233 -3.915 1.00 0.00 C ATOM 1261 CZ TYR X 78 5.598 -0.048 -4.341 1.00 0.00 C ATOM 1262 OH TYR X 78 6.548 -0.964 -4.021 1.00 0.00 O ATOM 0 H TYR X 78 0.528 1.092 -5.832 1.00 0.00 H new ATOM 0 HA TYR X 78 1.325 2.678 -3.463 1.00 0.00 H new ATOM 0 HB2 TYR X 78 2.419 2.844 -6.329 1.00 0.00 H new ATOM 0 HB3 TYR X 78 2.957 3.815 -4.973 1.00 0.00 H new ATOM 0 HD1 TYR X 78 2.667 0.191 -5.927 1.00 0.00 H new ATOM 0 HD2 TYR X 78 4.889 3.174 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR X 78 4.393 -1.445 -5.395 1.00 0.00 H new ATOM 0 HE2 TYR X 78 6.603 1.524 -3.342 1.00 0.00 H new ATOM 0 HH TYR X 78 6.624 -1.622 -4.743 1.00 0.00 H new ATOM 1272 N LEU X 79 -0.071 4.618 -4.167 1.00 0.00 N ATOM 1273 CA LEU X 79 -0.868 5.732 -4.586 1.00 0.00 C ATOM 1274 C LEU X 79 0.056 6.713 -5.216 1.00 0.00 C ATOM 1275 O LEU X 79 0.947 7.266 -4.571 1.00 0.00 O ATOM 1276 CB LEU X 79 -1.631 6.353 -3.427 1.00 0.00 C ATOM 1277 CG LEU X 79 -2.664 7.448 -3.757 1.00 0.00 C ATOM 1278 CD1 LEU X 79 -3.502 7.666 -2.567 1.00 0.00 C ATOM 1279 CD2 LEU X 79 -2.027 8.777 -4.148 1.00 0.00 C ATOM 0 H LEU X 79 0.217 4.637 -3.189 1.00 0.00 H new ATOM 0 HA LEU X 79 -1.628 5.406 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU X 79 -2.148 5.552 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU X 79 -0.903 6.776 -2.734 1.00 0.00 H new ATOM 0 HG LEU X 79 -3.243 7.103 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU X 79 -4.241 8.439 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU X 79 -4.011 6.738 -2.306 1.00 0.00 H new ATOM 0 HD13 LEU X 79 -2.875 7.983 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU X 79 -2.809 9.504 -4.368 1.00 0.00 H new ATOM 0 HD22 LEU X 79 -1.413 9.142 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU X 79 -1.404 8.636 -5.031 1.00 0.00 H new