USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 914 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: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= -0.451 USER MOD Set 1.3: A 123 LYS NZ :NH3+ 162:sc= -0.0187 (180deg=-0.416) USER MOD Set 2.1: A 38 THR OG1 : rot -99:sc= 0.447 USER MOD Set 2.2: A 41 SER OG : rot 83:sc= 0.867 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.09) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 28 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 40 GLN : amide:sc=-0.00661 X(o=-0.0066,f=0) USER MOD Single : A 44 ASN : amide:sc= -1.25 K(o=-1.2,f=-0.46) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.094 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ -119:sc= -0.92 (180deg=-2.63!) USER MOD Single : A 66 THR OG1 : rot 77:sc= 1.1 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -0.0866 (180deg=-0.744) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 58:sc= 1.23 USER MOD Single : A 81 TYR OH : rot 145:sc= 0.493 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 97:sc= 1.19 USER MOD Single : A 87 CYS SG : rot 85:sc= -0.363! USER MOD Single : A 89 LYS NZ :NH3+ 152:sc= -0.092 (180deg=-0.648) USER MOD Single : A 94 SER OG : rot 81:sc= 0.262 USER MOD Single : A 95 MET CE :methyl -156:sc= -0.207 (180deg=-1.28) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 81:sc= 1.08 USER MOD Single : A 112 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.42) USER MOD Single : A 117 LYS NZ :NH3+ -152:sc= 0.598 (180deg=0.218) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl 180:sc= -0.815 (180deg=-0.815) USER MOD Single : A 125 GLN : amide:sc= -1.01 K(o=-1,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 128 N PRO A 8 8.118 5.028 -7.197 1.00 0.67 N ATOM 129 CA PRO A 8 7.585 4.225 -8.316 1.00 0.58 C ATOM 130 C PRO A 8 6.099 4.544 -8.540 1.00 0.52 C ATOM 131 O PRO A 8 5.486 5.272 -7.784 1.00 0.58 O ATOM 132 CB PRO A 8 7.782 2.751 -7.881 1.00 0.62 C ATOM 133 CG PRO A 8 8.445 2.763 -6.473 1.00 0.71 C ATOM 134 CD PRO A 8 8.712 4.235 -6.096 1.00 0.75 C ATOM 0 HA PRO A 8 8.091 4.436 -9.258 1.00 0.58 H new ATOM 0 HB2 PRO A 8 6.825 2.229 -7.850 1.00 0.62 H new ATOM 0 HB3 PRO A 8 8.411 2.221 -8.596 1.00 0.62 H new ATOM 0 HG2 PRO A 8 7.792 2.292 -5.738 1.00 0.71 H new ATOM 0 HG3 PRO A 8 9.375 2.195 -6.483 1.00 0.71 H new ATOM 0 HD2 PRO A 8 8.256 4.486 -5.138 1.00 0.75 H new ATOM 0 HD3 PRO A 8 9.780 4.430 -6.001 1.00 0.75 H new ATOM 142 N THR A 9 5.518 3.983 -9.567 1.00 0.48 N ATOM 143 CA THR A 9 4.071 4.225 -9.843 1.00 0.46 C ATOM 144 C THR A 9 3.251 3.142 -9.156 1.00 0.43 C ATOM 145 O THR A 9 3.776 2.131 -8.731 1.00 0.44 O ATOM 146 CB THR A 9 3.806 4.148 -11.347 1.00 0.47 C ATOM 147 OG1 THR A 9 4.278 2.906 -11.846 1.00 0.72 O ATOM 148 CG2 THR A 9 4.521 5.290 -12.057 1.00 0.73 C ATOM 0 H THR A 9 5.985 3.365 -10.230 1.00 0.48 H new ATOM 0 HA THR A 9 3.796 5.212 -9.472 1.00 0.46 H new ATOM 0 HB THR A 9 2.734 4.230 -11.529 1.00 0.47 H new ATOM 0 HG1 THR A 9 4.107 2.854 -12.810 1.00 0.72 H new ATOM 0 HG21 THR A 9 4.328 5.230 -13.128 1.00 0.73 H new ATOM 0 HG22 THR A 9 4.154 6.243 -11.675 1.00 0.73 H new ATOM 0 HG23 THR A 9 5.593 5.216 -11.876 1.00 0.73 H new ATOM 156 N LEU A 10 1.966 3.324 -9.059 1.00 0.41 N ATOM 157 CA LEU A 10 1.136 2.278 -8.418 1.00 0.40 C ATOM 158 C LEU A 10 1.093 1.073 -9.348 1.00 0.39 C ATOM 159 O LEU A 10 0.880 -0.044 -8.920 1.00 0.39 O ATOM 160 CB LEU A 10 -0.288 2.799 -8.185 1.00 0.41 C ATOM 161 CG LEU A 10 -1.201 1.659 -7.703 1.00 0.37 C ATOM 162 CD1 LEU A 10 -0.640 1.044 -6.418 1.00 0.41 C ATOM 163 CD2 LEU A 10 -2.591 2.218 -7.422 1.00 0.41 C ATOM 0 H LEU A 10 1.461 4.145 -9.393 1.00 0.41 H new ATOM 0 HA LEU A 10 1.564 2.003 -7.454 1.00 0.40 H new ATOM 0 HB2 LEU A 10 -0.273 3.600 -7.445 1.00 0.41 H new ATOM 0 HB3 LEU A 10 -0.682 3.225 -9.108 1.00 0.41 H new ATOM 0 HG LEU A 10 -1.253 0.891 -8.475 1.00 0.37 H new ATOM 0 HD11 LEU A 10 -1.294 0.238 -6.085 1.00 0.41 H new ATOM 0 HD12 LEU A 10 0.357 0.647 -6.610 1.00 0.41 H new ATOM 0 HD13 LEU A 10 -0.583 1.809 -5.643 1.00 0.41 H new ATOM 0 HD21 LEU A 10 -3.244 1.415 -7.080 1.00 0.41 H new ATOM 0 HD22 LEU A 10 -2.525 2.986 -6.651 1.00 0.41 H new ATOM 0 HD23 LEU A 10 -2.999 2.654 -8.334 1.00 0.41 H new ATOM 175 N LYS A 11 1.293 1.282 -10.622 1.00 0.42 N ATOM 176 CA LYS A 11 1.257 0.139 -11.568 1.00 0.44 C ATOM 177 C LYS A 11 2.417 -0.803 -11.267 1.00 0.43 C ATOM 178 O LYS A 11 2.336 -1.994 -11.493 1.00 0.45 O ATOM 179 CB LYS A 11 1.392 0.666 -13.002 1.00 0.49 C ATOM 180 CG LYS A 11 1.340 -0.504 -13.988 1.00 0.83 C ATOM 181 CD LYS A 11 1.172 0.029 -15.416 1.00 0.98 C ATOM 182 CE LYS A 11 2.388 0.874 -15.809 1.00 1.64 C ATOM 183 NZ LYS A 11 2.437 1.011 -17.293 1.00 2.31 N ATOM 0 H LYS A 11 1.479 2.192 -11.043 1.00 0.42 H new ATOM 0 HA LYS A 11 0.314 -0.396 -11.460 1.00 0.44 H new ATOM 0 HB2 LYS A 11 0.590 1.372 -13.217 1.00 0.49 H new ATOM 0 HB3 LYS A 11 2.331 1.207 -13.114 1.00 0.49 H new ATOM 0 HG2 LYS A 11 2.254 -1.094 -13.915 1.00 0.83 H new ATOM 0 HG3 LYS A 11 0.512 -1.167 -13.737 1.00 0.83 H new ATOM 0 HD2 LYS A 11 1.057 -0.802 -16.112 1.00 0.98 H new ATOM 0 HD3 LYS A 11 0.265 0.629 -15.484 1.00 0.98 H new ATOM 0 HE2 LYS A 11 2.327 1.858 -15.344 1.00 1.64 H new ATOM 0 HE3 LYS A 11 3.303 0.406 -15.446 1.00 1.64 H new ATOM 0 HZ1 LYS A 11 3.262 1.584 -17.562 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 2.514 0.069 -17.726 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 1.569 1.476 -17.628 1.00 2.31 H new ATOM 197 N ASP A 12 3.513 -0.279 -10.790 1.00 0.43 N ATOM 198 CA ASP A 12 4.679 -1.160 -10.522 1.00 0.45 C ATOM 199 C ASP A 12 4.253 -2.273 -9.563 1.00 0.44 C ATOM 200 O ASP A 12 4.845 -3.333 -9.512 1.00 0.46 O ATOM 201 CB ASP A 12 5.807 -0.338 -9.893 1.00 0.48 C ATOM 202 CG ASP A 12 7.074 -1.190 -9.799 1.00 1.16 C ATOM 203 OD1 ASP A 12 7.051 -2.173 -9.077 1.00 1.94 O ATOM 204 OD2 ASP A 12 8.048 -0.843 -10.448 1.00 1.88 O ATOM 0 H ASP A 12 3.649 0.709 -10.577 1.00 0.43 H new ATOM 0 HA ASP A 12 5.034 -1.598 -11.455 1.00 0.45 H new ATOM 0 HB2 ASP A 12 5.999 0.552 -10.492 1.00 0.48 H new ATOM 0 HB3 ASP A 12 5.512 0.003 -8.901 1.00 0.48 H new ATOM 209 N ALA A 13 3.226 -2.018 -8.778 1.00 0.43 N ATOM 210 CA ALA A 13 2.759 -3.039 -7.797 1.00 0.45 C ATOM 211 C ALA A 13 2.297 -4.292 -8.538 1.00 0.49 C ATOM 212 O ALA A 13 2.293 -5.379 -7.996 1.00 0.57 O ATOM 213 CB ALA A 13 1.593 -2.466 -6.987 1.00 0.44 C ATOM 0 H ALA A 13 2.697 -1.146 -8.780 1.00 0.43 H new ATOM 0 HA ALA A 13 3.578 -3.299 -7.127 1.00 0.45 H new ATOM 0 HB1 ALA A 13 1.249 -3.210 -6.269 1.00 0.44 H new ATOM 0 HB2 ALA A 13 1.923 -1.574 -6.455 1.00 0.44 H new ATOM 0 HB3 ALA A 13 0.776 -2.206 -7.660 1.00 0.44 H new ATOM 219 N TYR A 14 1.907 -4.150 -9.775 1.00 0.54 N ATOM 220 CA TYR A 14 1.442 -5.333 -10.555 1.00 0.60 C ATOM 221 C TYR A 14 2.643 -6.004 -11.225 1.00 0.67 C ATOM 222 O TYR A 14 2.498 -6.744 -12.177 1.00 1.15 O ATOM 223 CB TYR A 14 0.452 -4.875 -11.627 1.00 0.61 C ATOM 224 CG TYR A 14 -0.820 -4.395 -10.965 1.00 0.58 C ATOM 225 CD1 TYR A 14 -0.861 -3.129 -10.366 1.00 1.32 C ATOM 226 CD2 TYR A 14 -1.956 -5.213 -10.949 1.00 1.37 C ATOM 227 CE1 TYR A 14 -2.038 -2.683 -9.753 1.00 1.33 C ATOM 228 CE2 TYR A 14 -3.133 -4.765 -10.337 1.00 1.41 C ATOM 229 CZ TYR A 14 -3.174 -3.500 -9.739 1.00 0.70 C ATOM 230 OH TYR A 14 -4.334 -3.059 -9.136 1.00 0.82 O ATOM 0 H TYR A 14 1.890 -3.264 -10.281 1.00 0.54 H new ATOM 0 HA TYR A 14 0.954 -6.043 -9.887 1.00 0.60 H new ATOM 0 HB2 TYR A 14 0.889 -4.074 -12.223 1.00 0.61 H new ATOM 0 HB3 TYR A 14 0.232 -5.696 -12.309 1.00 0.61 H new ATOM 0 HD1 TYR A 14 0.015 -2.497 -10.377 1.00 1.32 H new ATOM 0 HD2 TYR A 14 -1.925 -6.190 -11.409 1.00 1.37 H new ATOM 0 HE1 TYR A 14 -2.069 -1.708 -9.291 1.00 1.33 H new ATOM 0 HE2 TYR A 14 -4.010 -5.396 -10.326 1.00 1.41 H new ATOM 0 HH TYR A 14 -5.027 -3.748 -9.217 1.00 0.82 H new ATOM 240 N GLU A 15 3.830 -5.747 -10.730 1.00 0.57 N ATOM 241 CA GLU A 15 5.060 -6.360 -11.323 1.00 0.60 C ATOM 242 C GLU A 15 5.617 -7.415 -10.340 1.00 0.53 C ATOM 243 O GLU A 15 6.236 -7.046 -9.361 1.00 0.57 O ATOM 244 CB GLU A 15 6.108 -5.260 -11.528 1.00 0.68 C ATOM 245 CG GLU A 15 7.189 -5.756 -12.493 1.00 0.89 C ATOM 246 CD GLU A 15 8.355 -4.767 -12.509 1.00 1.59 C ATOM 247 OE1 GLU A 15 8.143 -3.627 -12.133 1.00 2.32 O ATOM 248 OE2 GLU A 15 9.440 -5.168 -12.898 1.00 2.12 O ATOM 0 H GLU A 15 4.000 -5.133 -9.933 1.00 0.57 H new ATOM 0 HA GLU A 15 4.824 -6.832 -12.277 1.00 0.60 H new ATOM 0 HB2 GLU A 15 5.635 -4.362 -11.926 1.00 0.68 H new ATOM 0 HB3 GLU A 15 6.556 -4.988 -10.572 1.00 0.68 H new ATOM 0 HG2 GLU A 15 7.539 -6.742 -12.187 1.00 0.89 H new ATOM 0 HG3 GLU A 15 6.775 -5.862 -13.496 1.00 0.89 H new ATOM 255 N PRO A 16 5.382 -8.694 -10.590 1.00 0.51 N ATOM 256 CA PRO A 16 5.866 -9.749 -9.679 1.00 0.48 C ATOM 257 C PRO A 16 7.401 -9.724 -9.555 1.00 0.51 C ATOM 258 O PRO A 16 8.071 -8.811 -9.992 1.00 0.76 O ATOM 259 CB PRO A 16 5.371 -11.080 -10.299 1.00 0.53 C ATOM 260 CG PRO A 16 4.553 -10.726 -11.573 1.00 0.64 C ATOM 261 CD PRO A 16 4.633 -9.197 -11.767 1.00 0.60 C ATOM 0 HA PRO A 16 5.488 -9.611 -8.666 1.00 0.48 H new ATOM 0 HB2 PRO A 16 6.215 -11.723 -10.551 1.00 0.53 H new ATOM 0 HB3 PRO A 16 4.754 -11.629 -9.587 1.00 0.53 H new ATOM 0 HG2 PRO A 16 4.956 -11.244 -12.443 1.00 0.64 H new ATOM 0 HG3 PRO A 16 3.516 -11.045 -11.464 1.00 0.64 H new ATOM 0 HD2 PRO A 16 5.144 -8.944 -12.696 1.00 0.60 H new ATOM 0 HD3 PRO A 16 3.638 -8.754 -11.819 1.00 0.60 H new ATOM 269 N LEU A 17 7.929 -10.734 -8.927 1.00 0.63 N ATOM 270 CA LEU A 17 9.397 -10.857 -8.690 1.00 0.74 C ATOM 271 C LEU A 17 9.790 -12.330 -8.767 1.00 0.79 C ATOM 272 O LEU A 17 8.980 -13.215 -8.572 1.00 1.03 O ATOM 273 CB LEU A 17 9.724 -10.314 -7.283 1.00 0.79 C ATOM 274 CG LEU A 17 9.893 -8.779 -7.331 1.00 1.26 C ATOM 275 CD1 LEU A 17 10.080 -8.249 -5.906 1.00 1.12 C ATOM 276 CD2 LEU A 17 11.121 -8.386 -8.194 1.00 2.28 C ATOM 0 H LEU A 17 7.383 -11.510 -8.553 1.00 0.63 H new ATOM 0 HA LEU A 17 9.947 -10.290 -9.441 1.00 0.74 H new ATOM 0 HB2 LEU A 17 8.926 -10.578 -6.589 1.00 0.79 H new ATOM 0 HB3 LEU A 17 10.638 -10.777 -6.910 1.00 0.79 H new ATOM 0 HG LEU A 17 9.001 -8.342 -7.780 1.00 1.26 H new ATOM 0 HD11 LEU A 17 10.200 -7.166 -5.933 1.00 1.12 H new ATOM 0 HD12 LEU A 17 9.206 -8.502 -5.306 1.00 1.12 H new ATOM 0 HD13 LEU A 17 10.967 -8.701 -5.463 1.00 1.12 H new ATOM 0 HD21 LEU A 17 11.220 -7.301 -8.213 1.00 2.28 H new ATOM 0 HD22 LEU A 17 12.022 -8.825 -7.766 1.00 2.28 H new ATOM 0 HD23 LEU A 17 10.985 -8.756 -9.210 1.00 2.28 H new ATOM 288 N TYR A 18 11.040 -12.596 -9.051 1.00 0.78 N ATOM 289 CA TYR A 18 11.511 -14.009 -9.150 1.00 0.88 C ATOM 290 C TYR A 18 11.972 -14.466 -7.748 1.00 0.76 C ATOM 291 O TYR A 18 12.306 -13.634 -6.927 1.00 0.63 O ATOM 292 CB TYR A 18 12.687 -14.083 -10.154 1.00 1.09 C ATOM 293 CG TYR A 18 12.583 -12.953 -11.153 1.00 0.78 C ATOM 294 CD1 TYR A 18 11.344 -12.632 -11.719 1.00 1.41 C ATOM 295 CD2 TYR A 18 13.727 -12.233 -11.516 1.00 1.46 C ATOM 296 CE1 TYR A 18 11.249 -11.590 -12.648 1.00 1.67 C ATOM 297 CE2 TYR A 18 13.632 -11.192 -12.444 1.00 1.64 C ATOM 298 CZ TYR A 18 12.393 -10.869 -13.010 1.00 1.40 C ATOM 299 OH TYR A 18 12.299 -9.842 -13.926 1.00 1.95 O ATOM 0 H TYR A 18 11.757 -11.891 -9.219 1.00 0.78 H new ATOM 0 HA TYR A 18 10.710 -14.660 -9.501 1.00 0.88 H new ATOM 0 HB2 TYR A 18 13.636 -14.023 -9.621 1.00 1.09 H new ATOM 0 HB3 TYR A 18 12.674 -15.041 -10.673 1.00 1.09 H new ATOM 0 HD1 TYR A 18 10.462 -13.188 -11.439 1.00 1.41 H new ATOM 0 HD2 TYR A 18 14.683 -12.482 -11.079 1.00 1.46 H new ATOM 0 HE1 TYR A 18 10.293 -11.342 -13.086 1.00 1.67 H new ATOM 0 HE2 TYR A 18 14.515 -10.637 -12.724 1.00 1.64 H new ATOM 0 HH TYR A 18 13.184 -9.445 -14.064 1.00 1.95 H new ATOM 309 N PRO A 19 11.986 -15.763 -7.497 1.00 0.88 N ATOM 310 CA PRO A 19 12.415 -16.279 -6.182 1.00 0.87 C ATOM 311 C PRO A 19 13.863 -15.852 -5.884 1.00 0.80 C ATOM 312 O PRO A 19 14.276 -15.791 -4.743 1.00 0.77 O ATOM 313 CB PRO A 19 12.301 -17.819 -6.300 1.00 1.11 C ATOM 314 CG PRO A 19 11.812 -18.145 -7.740 1.00 1.24 C ATOM 315 CD PRO A 19 11.583 -16.805 -8.469 1.00 1.09 C ATOM 0 HA PRO A 19 11.806 -15.891 -5.366 1.00 0.87 H new ATOM 0 HB2 PRO A 19 13.265 -18.290 -6.107 1.00 1.11 H new ATOM 0 HB3 PRO A 19 11.602 -18.209 -5.561 1.00 1.11 H new ATOM 0 HG2 PRO A 19 12.551 -18.747 -8.268 1.00 1.24 H new ATOM 0 HG3 PRO A 19 10.891 -18.727 -7.709 1.00 1.24 H new ATOM 0 HD2 PRO A 19 12.178 -16.745 -9.380 1.00 1.09 H new ATOM 0 HD3 PRO A 19 10.539 -16.689 -8.762 1.00 1.09 H new ATOM 323 N GLN A 20 14.639 -15.577 -6.898 1.00 0.80 N ATOM 324 CA GLN A 20 16.055 -15.180 -6.661 1.00 0.77 C ATOM 325 C GLN A 20 16.121 -13.715 -6.210 1.00 0.68 C ATOM 326 O GLN A 20 16.870 -13.364 -5.320 1.00 0.67 O ATOM 327 CB GLN A 20 16.855 -15.371 -7.964 1.00 0.85 C ATOM 328 CG GLN A 20 18.307 -15.723 -7.636 1.00 1.41 C ATOM 329 CD GLN A 20 19.147 -15.692 -8.914 1.00 1.86 C ATOM 330 OE1 GLN A 20 19.570 -16.721 -9.401 1.00 2.60 O ATOM 331 NE2 GLN A 20 19.409 -14.546 -9.480 1.00 2.30 N ATOM 0 H GLN A 20 14.354 -15.610 -7.877 1.00 0.80 H new ATOM 0 HA GLN A 20 16.484 -15.803 -5.876 1.00 0.77 H new ATOM 0 HB2 GLN A 20 16.406 -16.163 -8.564 1.00 0.85 H new ATOM 0 HB3 GLN A 20 16.818 -14.459 -8.561 1.00 0.85 H new ATOM 0 HG2 GLN A 20 18.707 -15.016 -6.909 1.00 1.41 H new ATOM 0 HG3 GLN A 20 18.357 -16.712 -7.180 1.00 1.41 H new ATOM 0 HE21 GLN A 20 19.054 -13.682 -9.071 1.00 2.30 H new ATOM 0 HE22 GLN A 20 19.969 -14.514 -10.332 1.00 2.30 H new ATOM 340 N GLN A 21 15.351 -12.858 -6.821 1.00 0.64 N ATOM 341 CA GLN A 21 15.380 -11.420 -6.431 1.00 0.59 C ATOM 342 C GLN A 21 14.919 -11.265 -4.980 1.00 0.50 C ATOM 343 O GLN A 21 15.488 -10.511 -4.215 1.00 0.47 O ATOM 344 CB GLN A 21 14.443 -10.626 -7.345 1.00 0.64 C ATOM 345 CG GLN A 21 15.039 -10.551 -8.752 1.00 1.02 C ATOM 346 CD GLN A 21 16.205 -9.561 -8.765 1.00 1.57 C ATOM 347 OE1 GLN A 21 16.003 -8.366 -8.850 1.00 2.34 O ATOM 348 NE2 GLN A 21 17.428 -10.011 -8.684 1.00 1.94 N ATOM 0 H GLN A 21 14.703 -13.091 -7.573 1.00 0.64 H new ATOM 0 HA GLN A 21 16.398 -11.043 -6.529 1.00 0.59 H new ATOM 0 HB2 GLN A 21 13.463 -11.102 -7.379 1.00 0.64 H new ATOM 0 HB3 GLN A 21 14.296 -9.622 -6.948 1.00 0.64 H new ATOM 0 HG2 GLN A 21 15.383 -11.537 -9.065 1.00 1.02 H new ATOM 0 HG3 GLN A 21 14.276 -10.238 -9.465 1.00 1.02 H new ATOM 0 HE21 GLN A 21 17.599 -11.014 -8.613 1.00 1.94 H new ATOM 0 HE22 GLN A 21 18.213 -9.359 -8.692 1.00 1.94 H new ATOM 357 N LEU A 22 13.892 -11.971 -4.595 1.00 0.52 N ATOM 358 CA LEU A 22 13.398 -11.858 -3.197 1.00 0.46 C ATOM 359 C LEU A 22 14.406 -12.502 -2.242 1.00 0.42 C ATOM 360 O LEU A 22 14.563 -12.074 -1.115 1.00 0.40 O ATOM 361 CB LEU A 22 12.046 -12.569 -3.082 1.00 0.52 C ATOM 362 CG LEU A 22 11.428 -12.328 -1.696 1.00 0.59 C ATOM 363 CD1 LEU A 22 10.987 -10.860 -1.544 1.00 0.52 C ATOM 364 CD2 LEU A 22 10.213 -13.246 -1.538 1.00 0.93 C ATOM 0 H LEU A 22 13.375 -12.620 -5.188 1.00 0.52 H new ATOM 0 HA LEU A 22 13.280 -10.807 -2.933 1.00 0.46 H new ATOM 0 HB2 LEU A 22 11.370 -12.206 -3.856 1.00 0.52 H new ATOM 0 HB3 LEU A 22 12.175 -13.638 -3.248 1.00 0.52 H new ATOM 0 HG LEU A 22 12.171 -12.544 -0.928 1.00 0.59 H new ATOM 0 HD11 LEU A 22 10.552 -10.711 -0.556 1.00 0.52 H new ATOM 0 HD12 LEU A 22 11.851 -10.206 -1.662 1.00 0.52 H new ATOM 0 HD13 LEU A 22 10.245 -10.622 -2.306 1.00 0.52 H new ATOM 0 HD21 LEU A 22 9.762 -13.087 -0.558 1.00 0.93 H new ATOM 0 HD22 LEU A 22 9.483 -13.020 -2.315 1.00 0.93 H new ATOM 0 HD23 LEU A 22 10.528 -14.286 -1.628 1.00 0.93 H new ATOM 376 N GLU A 23 15.090 -13.530 -2.673 1.00 0.44 N ATOM 377 CA GLU A 23 16.072 -14.184 -1.763 1.00 0.42 C ATOM 378 C GLU A 23 17.298 -13.277 -1.615 1.00 0.38 C ATOM 379 O GLU A 23 17.934 -13.241 -0.580 1.00 0.37 O ATOM 380 CB GLU A 23 16.491 -15.544 -2.340 1.00 0.47 C ATOM 381 CG GLU A 23 15.420 -16.593 -2.035 1.00 1.13 C ATOM 382 CD GLU A 23 15.775 -17.903 -2.743 1.00 1.66 C ATOM 383 OE1 GLU A 23 16.509 -18.686 -2.163 1.00 2.28 O ATOM 384 OE2 GLU A 23 15.308 -18.100 -3.852 1.00 2.30 O ATOM 0 H GLU A 23 15.012 -13.940 -3.604 1.00 0.44 H new ATOM 0 HA GLU A 23 15.617 -14.344 -0.785 1.00 0.42 H new ATOM 0 HB2 GLU A 23 16.636 -15.462 -3.417 1.00 0.47 H new ATOM 0 HB3 GLU A 23 17.445 -15.851 -1.912 1.00 0.47 H new ATOM 0 HG2 GLU A 23 15.350 -16.755 -0.959 1.00 1.13 H new ATOM 0 HG3 GLU A 23 14.444 -16.240 -2.368 1.00 1.13 H new ATOM 391 N ILE A 24 17.630 -12.539 -2.641 1.00 0.39 N ATOM 392 CA ILE A 24 18.806 -11.634 -2.557 1.00 0.39 C ATOM 393 C ILE A 24 18.562 -10.613 -1.438 1.00 0.36 C ATOM 394 O ILE A 24 19.397 -10.410 -0.579 1.00 0.37 O ATOM 395 CB ILE A 24 18.994 -10.927 -3.917 1.00 0.44 C ATOM 396 CG1 ILE A 24 19.762 -11.856 -4.869 1.00 0.52 C ATOM 397 CG2 ILE A 24 19.778 -9.620 -3.737 1.00 0.48 C ATOM 398 CD1 ILE A 24 19.744 -11.280 -6.288 1.00 0.89 C ATOM 0 H ILE A 24 17.135 -12.526 -3.533 1.00 0.39 H new ATOM 0 HA ILE A 24 19.712 -12.196 -2.330 1.00 0.39 H new ATOM 0 HB ILE A 24 18.014 -10.694 -4.334 1.00 0.44 H new ATOM 0 HG12 ILE A 24 20.791 -11.971 -4.527 1.00 0.52 H new ATOM 0 HG13 ILE A 24 19.311 -12.849 -4.864 1.00 0.52 H new ATOM 0 HG21 ILE A 24 19.902 -9.134 -4.705 1.00 0.48 H new ATOM 0 HG22 ILE A 24 19.232 -8.958 -3.065 1.00 0.48 H new ATOM 0 HG23 ILE A 24 20.758 -9.839 -3.313 1.00 0.48 H new ATOM 0 HD11 ILE A 24 20.291 -11.944 -6.957 1.00 0.89 H new ATOM 0 HD12 ILE A 24 18.713 -11.188 -6.630 1.00 0.89 H new ATOM 0 HD13 ILE A 24 20.215 -10.297 -6.288 1.00 0.89 H new ATOM 410 N LEU A 25 17.427 -9.972 -1.441 1.00 0.34 N ATOM 411 CA LEU A 25 17.140 -8.971 -0.375 1.00 0.34 C ATOM 412 C LEU A 25 17.188 -9.665 0.989 1.00 0.32 C ATOM 413 O LEU A 25 17.514 -9.063 1.993 1.00 0.34 O ATOM 414 CB LEU A 25 15.749 -8.365 -0.600 1.00 0.36 C ATOM 415 CG LEU A 25 15.732 -7.548 -1.909 1.00 0.38 C ATOM 416 CD1 LEU A 25 14.296 -7.439 -2.431 1.00 0.44 C ATOM 417 CD2 LEU A 25 16.277 -6.134 -1.660 1.00 0.41 C ATOM 0 H LEU A 25 16.688 -10.097 -2.133 1.00 0.34 H new ATOM 0 HA LEU A 25 17.884 -8.175 -0.406 1.00 0.34 H new ATOM 0 HB2 LEU A 25 15.002 -9.157 -0.647 1.00 0.36 H new ATOM 0 HB3 LEU A 25 15.482 -7.725 0.241 1.00 0.36 H new ATOM 0 HG LEU A 25 16.358 -8.055 -2.643 1.00 0.38 H new ATOM 0 HD11 LEU A 25 14.288 -6.861 -3.355 1.00 0.44 H new ATOM 0 HD12 LEU A 25 13.902 -8.437 -2.623 1.00 0.44 H new ATOM 0 HD13 LEU A 25 13.675 -6.941 -1.686 1.00 0.44 H new ATOM 0 HD21 LEU A 25 16.260 -5.568 -2.591 1.00 0.41 H new ATOM 0 HD22 LEU A 25 15.657 -5.631 -0.918 1.00 0.41 H new ATOM 0 HD23 LEU A 25 17.302 -6.198 -1.294 1.00 0.41 H new ATOM 429 N ARG A 26 16.871 -10.930 1.029 1.00 0.31 N ATOM 430 CA ARG A 26 16.903 -11.672 2.321 1.00 0.33 C ATOM 431 C ARG A 26 18.360 -11.839 2.764 1.00 0.31 C ATOM 432 O ARG A 26 18.701 -11.628 3.911 1.00 0.32 O ATOM 433 CB ARG A 26 16.245 -13.052 2.132 1.00 0.38 C ATOM 434 CG ARG A 26 15.599 -13.510 3.443 1.00 0.69 C ATOM 435 CD ARG A 26 15.055 -14.929 3.277 1.00 1.00 C ATOM 436 NE ARG A 26 14.224 -15.280 4.463 1.00 1.36 N ATOM 437 CZ ARG A 26 13.433 -16.316 4.424 1.00 1.86 C ATOM 438 NH1 ARG A 26 13.373 -17.053 3.348 1.00 2.36 N ATOM 439 NH2 ARG A 26 12.702 -16.618 5.462 1.00 2.46 N ATOM 0 H ARG A 26 16.590 -11.484 0.220 1.00 0.31 H new ATOM 0 HA ARG A 26 16.355 -11.119 3.084 1.00 0.33 H new ATOM 0 HB2 ARG A 26 15.492 -13.000 1.345 1.00 0.38 H new ATOM 0 HB3 ARG A 26 16.991 -13.779 1.812 1.00 0.38 H new ATOM 0 HG2 ARG A 26 16.331 -13.482 4.250 1.00 0.69 H new ATOM 0 HG3 ARG A 26 14.793 -12.831 3.720 1.00 0.69 H new ATOM 0 HD2 ARG A 26 14.458 -14.998 2.367 1.00 1.00 H new ATOM 0 HD3 ARG A 26 15.878 -15.636 3.173 1.00 1.00 H new ATOM 0 HE ARG A 26 14.274 -14.709 5.307 1.00 1.36 H new ATOM 0 HH11 ARG A 26 13.945 -16.819 2.537 1.00 2.36 H new ATOM 0 HH12 ARG A 26 12.754 -17.863 3.319 1.00 2.36 H new ATOM 0 HH21 ARG A 26 12.749 -16.044 6.304 1.00 2.46 H new ATOM 0 HH22 ARG A 26 12.083 -17.428 5.432 1.00 2.46 H new ATOM 453 N GLN A 27 19.228 -12.173 1.849 1.00 0.31 N ATOM 454 CA GLN A 27 20.671 -12.315 2.184 1.00 0.32 C ATOM 455 C GLN A 27 21.179 -11.010 2.795 1.00 0.31 C ATOM 456 O GLN A 27 21.892 -11.005 3.778 1.00 0.33 O ATOM 457 CB GLN A 27 21.441 -12.587 0.888 1.00 0.33 C ATOM 458 CG GLN A 27 21.105 -13.998 0.392 1.00 0.99 C ATOM 459 CD GLN A 27 21.956 -14.332 -0.834 1.00 1.48 C ATOM 460 OE1 GLN A 27 23.165 -14.210 -0.801 1.00 2.02 O ATOM 461 NE2 GLN A 27 21.373 -14.754 -1.922 1.00 2.23 N ATOM 0 H GLN A 27 18.995 -12.355 0.873 1.00 0.31 H new ATOM 0 HA GLN A 27 20.813 -13.131 2.893 1.00 0.32 H new ATOM 0 HB2 GLN A 27 21.176 -11.849 0.131 1.00 0.33 H new ATOM 0 HB3 GLN A 27 22.513 -12.495 1.061 1.00 0.33 H new ATOM 0 HG2 GLN A 27 21.289 -14.725 1.183 1.00 0.99 H new ATOM 0 HG3 GLN A 27 20.046 -14.062 0.140 1.00 0.99 H new ATOM 0 HE21 GLN A 27 20.359 -14.857 -1.950 1.00 2.23 H new ATOM 0 HE22 GLN A 27 21.932 -14.981 -2.745 1.00 2.23 H new ATOM 470 N GLN A 28 20.812 -9.899 2.212 1.00 0.30 N ATOM 471 CA GLN A 28 21.266 -8.587 2.748 1.00 0.31 C ATOM 472 C GLN A 28 20.638 -8.362 4.122 1.00 0.30 C ATOM 473 O GLN A 28 21.233 -7.763 4.996 1.00 0.34 O ATOM 474 CB GLN A 28 20.836 -7.469 1.791 1.00 0.33 C ATOM 475 CG GLN A 28 21.496 -6.150 2.203 1.00 1.10 C ATOM 476 CD GLN A 28 23.000 -6.219 1.934 1.00 1.61 C ATOM 477 OE1 GLN A 28 23.440 -6.929 1.051 1.00 2.28 O ATOM 478 NE2 GLN A 28 23.814 -5.504 2.662 1.00 2.28 N ATOM 0 H GLN A 28 20.216 -9.846 1.386 1.00 0.30 H new ATOM 0 HA GLN A 28 22.352 -8.581 2.840 1.00 0.31 H new ATOM 0 HB2 GLN A 28 21.118 -7.724 0.769 1.00 0.33 H new ATOM 0 HB3 GLN A 28 19.751 -7.363 1.805 1.00 0.33 H new ATOM 0 HG2 GLN A 28 21.055 -5.323 1.647 1.00 1.10 H new ATOM 0 HG3 GLN A 28 21.315 -5.956 3.260 1.00 1.10 H new ATOM 0 HE21 GLN A 28 23.445 -4.908 3.403 1.00 2.28 H new ATOM 0 HE22 GLN A 28 24.819 -5.541 2.490 1.00 2.28 H new ATOM 487 N VAL A 29 19.441 -8.842 4.324 1.00 0.27 N ATOM 488 CA VAL A 29 18.788 -8.655 5.649 1.00 0.28 C ATOM 489 C VAL A 29 19.398 -9.642 6.653 1.00 0.30 C ATOM 490 O VAL A 29 19.810 -9.267 7.733 1.00 0.33 O ATOM 491 CB VAL A 29 17.279 -8.907 5.507 1.00 0.27 C ATOM 492 CG1 VAL A 29 16.640 -9.092 6.888 1.00 0.30 C ATOM 493 CG2 VAL A 29 16.634 -7.709 4.801 1.00 0.27 C ATOM 0 H VAL A 29 18.891 -9.352 3.633 1.00 0.27 H new ATOM 0 HA VAL A 29 18.947 -7.638 6.007 1.00 0.28 H new ATOM 0 HB VAL A 29 17.120 -9.813 4.922 1.00 0.27 H new ATOM 0 HG11 VAL A 29 15.571 -9.270 6.773 1.00 0.30 H new ATOM 0 HG12 VAL A 29 17.098 -9.945 7.389 1.00 0.30 H new ATOM 0 HG13 VAL A 29 16.796 -8.193 7.485 1.00 0.30 H new ATOM 0 HG21 VAL A 29 15.563 -7.881 4.697 1.00 0.27 H new ATOM 0 HG22 VAL A 29 16.801 -6.807 5.390 1.00 0.27 H new ATOM 0 HG23 VAL A 29 17.079 -7.586 3.814 1.00 0.27 H new ATOM 503 N VAL A 30 19.448 -10.899 6.309 1.00 0.31 N ATOM 504 CA VAL A 30 20.018 -11.908 7.244 1.00 0.35 C ATOM 505 C VAL A 30 21.515 -11.666 7.432 1.00 0.37 C ATOM 506 O VAL A 30 22.034 -11.757 8.527 1.00 0.42 O ATOM 507 CB VAL A 30 19.806 -13.304 6.662 1.00 0.35 C ATOM 508 CG1 VAL A 30 20.337 -14.351 7.639 1.00 0.40 C ATOM 509 CG2 VAL A 30 18.314 -13.534 6.430 1.00 0.35 C ATOM 0 H VAL A 30 19.118 -11.271 5.419 1.00 0.31 H new ATOM 0 HA VAL A 30 19.519 -11.823 8.209 1.00 0.35 H new ATOM 0 HB VAL A 30 20.340 -13.389 5.716 1.00 0.35 H new ATOM 0 HG11 VAL A 30 20.185 -15.347 7.223 1.00 0.40 H new ATOM 0 HG12 VAL A 30 21.401 -14.186 7.806 1.00 0.40 H new ATOM 0 HG13 VAL A 30 19.804 -14.268 8.586 1.00 0.40 H new ATOM 0 HG21 VAL A 30 18.160 -14.530 6.015 1.00 0.35 H new ATOM 0 HG22 VAL A 30 17.781 -13.449 7.377 1.00 0.35 H new ATOM 0 HG23 VAL A 30 17.935 -12.787 5.732 1.00 0.35 H new ATOM 519 N SER A 31 22.220 -11.374 6.374 1.00 0.36 N ATOM 520 CA SER A 31 23.686 -11.149 6.509 1.00 0.39 C ATOM 521 C SER A 31 23.947 -10.034 7.525 1.00 0.42 C ATOM 522 O SER A 31 24.973 -10.005 8.175 1.00 0.47 O ATOM 523 CB SER A 31 24.276 -10.762 5.151 1.00 0.38 C ATOM 524 OG SER A 31 25.672 -10.533 5.292 1.00 1.36 O ATOM 0 H SER A 31 21.848 -11.282 5.429 1.00 0.36 H new ATOM 0 HA SER A 31 24.160 -12.067 6.857 1.00 0.39 H new ATOM 0 HB2 SER A 31 24.098 -11.555 4.425 1.00 0.38 H new ATOM 0 HB3 SER A 31 23.786 -9.866 4.771 1.00 0.38 H new ATOM 0 HG SER A 31 26.052 -10.286 4.423 1.00 1.36 H new ATOM 530 N GLU A 32 23.036 -9.107 7.662 1.00 0.42 N ATOM 531 CA GLU A 32 23.247 -7.993 8.631 1.00 0.47 C ATOM 532 C GLU A 32 22.813 -8.429 10.036 1.00 0.49 C ATOM 533 O GLU A 32 23.088 -7.756 11.010 1.00 0.54 O ATOM 534 CB GLU A 32 22.429 -6.778 8.193 1.00 0.48 C ATOM 535 CG GLU A 32 22.985 -6.235 6.874 1.00 0.79 C ATOM 536 CD GLU A 32 24.294 -5.489 7.140 1.00 1.50 C ATOM 537 OE1 GLU A 32 24.253 -4.494 7.844 1.00 2.23 O ATOM 538 OE2 GLU A 32 25.316 -5.927 6.636 1.00 2.22 O ATOM 0 H GLU A 32 22.157 -9.073 7.146 1.00 0.42 H new ATOM 0 HA GLU A 32 24.305 -7.732 8.653 1.00 0.47 H new ATOM 0 HB2 GLU A 32 21.382 -7.056 8.071 1.00 0.48 H new ATOM 0 HB3 GLU A 32 22.466 -6.005 8.961 1.00 0.48 H new ATOM 0 HG2 GLU A 32 23.156 -7.054 6.175 1.00 0.79 H new ATOM 0 HG3 GLU A 32 22.261 -5.566 6.410 1.00 0.79 H new ATOM 545 N GLY A 33 22.151 -9.558 10.148 1.00 0.47 N ATOM 546 CA GLY A 33 21.708 -10.058 11.494 1.00 0.50 C ATOM 547 C GLY A 33 20.188 -10.246 11.520 1.00 0.50 C ATOM 548 O GLY A 33 19.599 -10.420 12.568 1.00 0.66 O ATOM 0 H GLY A 33 21.897 -10.158 9.363 1.00 0.47 H new ATOM 0 HA2 GLY A 33 22.202 -11.004 11.718 1.00 0.50 H new ATOM 0 HA3 GLY A 33 22.007 -9.351 12.268 1.00 0.50 H new ATOM 552 N GLY A 34 19.549 -10.226 10.383 1.00 0.43 N ATOM 553 CA GLY A 34 18.070 -10.417 10.358 1.00 0.43 C ATOM 554 C GLY A 34 17.369 -9.192 10.997 1.00 0.43 C ATOM 555 O GLY A 34 17.495 -8.104 10.471 1.00 0.41 O ATOM 0 H GLY A 34 19.985 -10.086 9.472 1.00 0.43 H new ATOM 0 HA2 GLY A 34 17.729 -10.547 9.331 1.00 0.43 H new ATOM 0 HA3 GLY A 34 17.802 -11.324 10.900 1.00 0.43 H new ATOM 559 N PRO A 35 16.644 -9.366 12.098 1.00 0.47 N ATOM 560 CA PRO A 35 15.949 -8.227 12.739 1.00 0.51 C ATOM 561 C PRO A 35 16.939 -7.097 13.058 1.00 0.52 C ATOM 562 O PRO A 35 16.648 -5.932 12.872 1.00 0.64 O ATOM 563 CB PRO A 35 15.333 -8.809 14.036 1.00 0.57 C ATOM 564 CG PRO A 35 15.624 -10.335 14.050 1.00 0.58 C ATOM 565 CD PRO A 35 16.454 -10.664 12.791 1.00 0.52 C ATOM 0 HA PRO A 35 15.189 -7.793 12.090 1.00 0.51 H new ATOM 0 HB2 PRO A 35 15.765 -8.329 14.914 1.00 0.57 H new ATOM 0 HB3 PRO A 35 14.259 -8.624 14.067 1.00 0.57 H new ATOM 0 HG2 PRO A 35 16.170 -10.612 14.952 1.00 0.58 H new ATOM 0 HG3 PRO A 35 14.693 -10.902 14.054 1.00 0.58 H new ATOM 0 HD2 PRO A 35 17.411 -11.112 13.057 1.00 0.52 H new ATOM 0 HD3 PRO A 35 15.934 -11.378 12.153 1.00 0.52 H new ATOM 573 N THR A 36 18.100 -7.436 13.545 1.00 0.50 N ATOM 574 CA THR A 36 19.101 -6.387 13.885 1.00 0.50 C ATOM 575 C THR A 36 19.631 -5.740 12.605 1.00 0.48 C ATOM 576 O THR A 36 20.568 -4.966 12.633 1.00 0.48 O ATOM 577 CB THR A 36 20.261 -7.026 14.654 1.00 0.51 C ATOM 578 OG1 THR A 36 20.706 -8.185 13.964 1.00 0.69 O ATOM 579 CG2 THR A 36 19.789 -7.414 16.057 1.00 0.80 C ATOM 0 H THR A 36 18.399 -8.395 13.722 1.00 0.50 H new ATOM 0 HA THR A 36 18.628 -5.623 14.502 1.00 0.50 H new ATOM 0 HB THR A 36 21.083 -6.314 14.732 1.00 0.51 H new ATOM 0 HG1 THR A 36 21.449 -8.593 14.455 1.00 0.69 H new ATOM 0 HG21 THR A 36 20.614 -7.869 16.605 1.00 0.80 H new ATOM 0 HG22 THR A 36 19.449 -6.524 16.586 1.00 0.80 H new ATOM 0 HG23 THR A 36 18.967 -8.126 15.980 1.00 0.80 H new ATOM 587 N ALA A 37 19.043 -6.048 11.480 1.00 0.48 N ATOM 588 CA ALA A 37 19.522 -5.444 10.205 1.00 0.48 C ATOM 589 C ALA A 37 19.148 -3.961 10.174 1.00 0.55 C ATOM 590 O ALA A 37 18.241 -3.527 10.855 1.00 1.10 O ATOM 591 CB ALA A 37 18.872 -6.160 9.019 1.00 0.42 C ATOM 0 H ALA A 37 18.255 -6.689 11.390 1.00 0.48 H new ATOM 0 HA ALA A 37 20.605 -5.549 10.139 1.00 0.48 H new ATOM 0 HB1 ALA A 37 19.224 -5.716 8.088 1.00 0.42 H new ATOM 0 HB2 ALA A 37 19.139 -7.217 9.041 1.00 0.42 H new ATOM 0 HB3 ALA A 37 17.789 -6.058 9.082 1.00 0.42 H new ATOM 597 N THR A 38 19.838 -3.177 9.389 1.00 0.45 N ATOM 598 CA THR A 38 19.513 -1.724 9.322 1.00 0.46 C ATOM 599 C THR A 38 18.047 -1.551 8.924 1.00 0.40 C ATOM 600 O THR A 38 17.394 -2.484 8.503 1.00 0.36 O ATOM 601 CB THR A 38 20.407 -1.043 8.282 1.00 0.48 C ATOM 602 OG1 THR A 38 20.259 -1.697 7.030 1.00 0.66 O ATOM 603 CG2 THR A 38 21.866 -1.119 8.731 1.00 0.66 C ATOM 0 H THR A 38 20.609 -3.479 8.794 1.00 0.45 H new ATOM 0 HA THR A 38 19.684 -1.269 10.298 1.00 0.46 H new ATOM 0 HB THR A 38 20.115 0.002 8.182 1.00 0.48 H new ATOM 0 HG1 THR A 38 21.002 -2.322 6.897 1.00 0.66 H new ATOM 0 HG21 THR A 38 22.501 -0.634 7.989 1.00 0.66 H new ATOM 0 HG22 THR A 38 21.978 -0.614 9.691 1.00 0.66 H new ATOM 0 HG23 THR A 38 22.161 -2.163 8.834 1.00 0.66 H new ATOM 611 N ILE A 39 17.525 -0.363 9.055 1.00 0.47 N ATOM 612 CA ILE A 39 16.101 -0.129 8.686 1.00 0.45 C ATOM 613 C ILE A 39 15.953 -0.185 7.161 1.00 0.40 C ATOM 614 O ILE A 39 15.010 -0.746 6.640 1.00 0.38 O ATOM 615 CB ILE A 39 15.671 1.250 9.204 1.00 0.55 C ATOM 616 CG1 ILE A 39 15.557 1.199 10.731 1.00 0.73 C ATOM 617 CG2 ILE A 39 14.315 1.634 8.602 1.00 0.53 C ATOM 618 CD1 ILE A 39 15.419 2.619 11.287 1.00 0.73 C ATOM 0 H ILE A 39 18.024 0.456 9.402 1.00 0.47 H new ATOM 0 HA ILE A 39 15.470 -0.897 9.132 1.00 0.45 H new ATOM 0 HB ILE A 39 16.413 1.994 8.913 1.00 0.55 H new ATOM 0 HG12 ILE A 39 14.694 0.599 11.021 1.00 0.73 H new ATOM 0 HG13 ILE A 39 16.438 0.716 11.155 1.00 0.73 H new ATOM 0 HG21 ILE A 39 14.016 2.614 8.974 1.00 0.53 H new ATOM 0 HG22 ILE A 39 14.396 1.668 7.516 1.00 0.53 H new ATOM 0 HG23 ILE A 39 13.567 0.894 8.888 1.00 0.53 H new ATOM 0 HD11 ILE A 39 15.338 2.578 12.373 1.00 0.73 H new ATOM 0 HD12 ILE A 39 16.295 3.205 11.010 1.00 0.73 H new ATOM 0 HD13 ILE A 39 14.525 3.086 10.874 1.00 0.73 H new ATOM 630 N GLN A 40 16.874 0.397 6.446 1.00 0.42 N ATOM 631 CA GLN A 40 16.784 0.384 4.958 1.00 0.43 C ATOM 632 C GLN A 40 16.718 -1.061 4.454 1.00 0.35 C ATOM 633 O GLN A 40 16.168 -1.337 3.407 1.00 0.37 O ATOM 634 CB GLN A 40 18.016 1.074 4.367 1.00 0.53 C ATOM 635 CG GLN A 40 19.279 0.527 5.033 1.00 1.38 C ATOM 636 CD GLN A 40 20.514 1.075 4.315 1.00 1.91 C ATOM 637 OE1 GLN A 40 21.369 0.323 3.893 1.00 2.54 O ATOM 638 NE2 GLN A 40 20.643 2.364 4.156 1.00 2.43 N ATOM 0 H GLN A 40 17.686 0.882 6.827 1.00 0.42 H new ATOM 0 HA GLN A 40 15.883 0.914 4.648 1.00 0.43 H new ATOM 0 HB2 GLN A 40 18.058 0.906 3.291 1.00 0.53 H new ATOM 0 HB3 GLN A 40 17.950 2.151 4.519 1.00 0.53 H new ATOM 0 HG2 GLN A 40 19.301 0.812 6.085 1.00 1.38 H new ATOM 0 HG3 GLN A 40 19.279 -0.562 4.998 1.00 1.38 H new ATOM 0 HE21 GLN A 40 19.925 2.996 4.510 1.00 2.43 H new ATOM 0 HE22 GLN A 40 21.462 2.739 3.677 1.00 2.43 H new ATOM 647 N SER A 41 17.278 -1.984 5.187 1.00 0.31 N ATOM 648 CA SER A 41 17.251 -3.406 4.741 1.00 0.28 C ATOM 649 C SER A 41 15.827 -3.951 4.853 1.00 0.24 C ATOM 650 O SER A 41 15.316 -4.569 3.940 1.00 0.25 O ATOM 651 CB SER A 41 18.189 -4.236 5.620 1.00 0.29 C ATOM 652 OG SER A 41 19.429 -3.554 5.757 1.00 1.32 O ATOM 0 H SER A 41 17.752 -1.815 6.074 1.00 0.31 H new ATOM 0 HA SER A 41 17.580 -3.466 3.704 1.00 0.28 H new ATOM 0 HB2 SER A 41 17.740 -4.398 6.600 1.00 0.29 H new ATOM 0 HB3 SER A 41 18.348 -5.219 5.176 1.00 0.29 H new ATOM 0 HG SER A 41 19.359 -2.888 6.472 1.00 1.32 H new ATOM 658 N ARG A 42 15.178 -3.724 5.961 1.00 0.22 N ATOM 659 CA ARG A 42 13.786 -4.227 6.122 1.00 0.21 C ATOM 660 C ARG A 42 12.853 -3.413 5.225 1.00 0.20 C ATOM 661 O ARG A 42 11.904 -3.928 4.668 1.00 0.20 O ATOM 662 CB ARG A 42 13.353 -4.078 7.583 1.00 0.24 C ATOM 663 CG ARG A 42 14.344 -4.815 8.487 1.00 0.52 C ATOM 664 CD ARG A 42 13.847 -4.773 9.934 1.00 0.82 C ATOM 665 NE ARG A 42 12.653 -5.654 10.074 1.00 1.50 N ATOM 666 CZ ARG A 42 12.235 -6.006 11.259 1.00 1.92 C ATOM 667 NH1 ARG A 42 12.859 -5.583 12.325 1.00 1.83 N ATOM 668 NH2 ARG A 42 11.191 -6.780 11.379 1.00 2.91 N ATOM 0 H ARG A 42 15.551 -3.213 6.761 1.00 0.22 H new ATOM 0 HA ARG A 42 13.740 -5.279 5.840 1.00 0.21 H new ATOM 0 HB2 ARG A 42 13.311 -3.023 7.855 1.00 0.24 H new ATOM 0 HB3 ARG A 42 12.350 -4.482 7.719 1.00 0.24 H new ATOM 0 HG2 ARG A 42 14.452 -5.849 8.159 1.00 0.52 H new ATOM 0 HG3 ARG A 42 15.329 -4.354 8.416 1.00 0.52 H new ATOM 0 HD2 ARG A 42 14.636 -5.101 10.611 1.00 0.82 H new ATOM 0 HD3 ARG A 42 13.593 -3.750 10.213 1.00 0.82 H new ATOM 0 HE ARG A 42 12.162 -5.982 9.242 1.00 1.50 H new ATOM 0 HH11 ARG A 42 13.674 -4.977 12.232 1.00 1.83 H new ATOM 0 HH12 ARG A 42 12.531 -5.859 13.251 1.00 1.83 H new ATOM 0 HH21 ARG A 42 10.702 -7.110 10.547 1.00 2.91 H new ATOM 0 HH22 ARG A 42 10.864 -7.055 12.305 1.00 2.91 H new ATOM 682 N PHE A 43 13.110 -2.141 5.090 1.00 0.22 N ATOM 683 CA PHE A 43 12.236 -1.289 4.239 1.00 0.24 C ATOM 684 C PHE A 43 12.117 -1.907 2.843 1.00 0.23 C ATOM 685 O PHE A 43 11.032 -2.065 2.319 1.00 0.23 O ATOM 686 CB PHE A 43 12.840 0.124 4.141 1.00 0.28 C ATOM 687 CG PHE A 43 11.746 1.139 3.881 1.00 0.38 C ATOM 688 CD1 PHE A 43 10.835 1.454 4.896 1.00 1.18 C ATOM 689 CD2 PHE A 43 11.644 1.765 2.631 1.00 1.40 C ATOM 690 CE1 PHE A 43 9.822 2.391 4.664 1.00 1.22 C ATOM 691 CE2 PHE A 43 10.630 2.703 2.399 1.00 1.48 C ATOM 692 CZ PHE A 43 9.720 3.016 3.416 1.00 0.70 C ATOM 0 H PHE A 43 13.889 -1.655 5.534 1.00 0.22 H new ATOM 0 HA PHE A 43 11.243 -1.225 4.683 1.00 0.24 H new ATOM 0 HB2 PHE A 43 13.363 0.370 5.065 1.00 0.28 H new ATOM 0 HB3 PHE A 43 13.577 0.158 3.339 1.00 0.28 H new ATOM 0 HD1 PHE A 43 10.914 0.973 5.860 1.00 1.18 H new ATOM 0 HD2 PHE A 43 12.347 1.524 1.847 1.00 1.40 H new ATOM 0 HE1 PHE A 43 9.119 2.632 5.448 1.00 1.22 H new ATOM 0 HE2 PHE A 43 10.550 3.185 1.436 1.00 1.48 H new ATOM 0 HZ PHE A 43 8.939 3.740 3.237 1.00 0.70 H new ATOM 702 N ASN A 44 13.217 -2.253 2.228 1.00 0.24 N ATOM 703 CA ASN A 44 13.150 -2.852 0.866 1.00 0.24 C ATOM 704 C ASN A 44 12.498 -4.234 0.941 1.00 0.22 C ATOM 705 O ASN A 44 11.779 -4.639 0.049 1.00 0.23 O ATOM 706 CB ASN A 44 14.571 -2.991 0.308 1.00 0.25 C ATOM 707 CG ASN A 44 15.244 -1.617 0.271 1.00 0.95 C ATOM 708 OD1 ASN A 44 14.696 -0.673 -0.262 1.00 1.73 O ATOM 709 ND2 ASN A 44 16.421 -1.464 0.817 1.00 1.67 N ATOM 0 H ASN A 44 14.157 -2.146 2.610 1.00 0.24 H new ATOM 0 HA ASN A 44 12.557 -2.209 0.215 1.00 0.24 H new ATOM 0 HB2 ASN A 44 15.151 -3.675 0.928 1.00 0.25 H new ATOM 0 HB3 ASN A 44 14.539 -3.419 -0.694 1.00 0.25 H new ATOM 0 HD21 ASN A 44 16.879 -0.553 0.795 1.00 1.67 H new ATOM 0 HD22 ASN A 44 16.882 -2.256 1.265 1.00 1.67 H new ATOM 716 N TYR A 45 12.745 -4.964 1.994 1.00 0.21 N ATOM 717 CA TYR A 45 12.139 -6.320 2.117 1.00 0.20 C ATOM 718 C TYR A 45 10.611 -6.197 2.096 1.00 0.21 C ATOM 719 O TYR A 45 9.916 -7.056 1.591 1.00 0.22 O ATOM 720 CB TYR A 45 12.596 -6.965 3.435 1.00 0.20 C ATOM 721 CG TYR A 45 12.470 -8.471 3.342 1.00 0.21 C ATOM 722 CD1 TYR A 45 13.374 -9.198 2.558 1.00 1.33 C ATOM 723 CD2 TYR A 45 11.453 -9.139 4.037 1.00 1.12 C ATOM 724 CE1 TYR A 45 13.264 -10.590 2.469 1.00 1.43 C ATOM 725 CE2 TYR A 45 11.343 -10.532 3.947 1.00 1.05 C ATOM 726 CZ TYR A 45 12.248 -11.257 3.163 1.00 0.43 C ATOM 727 OH TYR A 45 12.140 -12.630 3.075 1.00 0.57 O ATOM 0 H TYR A 45 13.339 -4.681 2.773 1.00 0.21 H new ATOM 0 HA TYR A 45 12.460 -6.945 1.283 1.00 0.20 H new ATOM 0 HB2 TYR A 45 13.630 -6.690 3.645 1.00 0.20 H new ATOM 0 HB3 TYR A 45 11.992 -6.591 4.262 1.00 0.20 H new ATOM 0 HD1 TYR A 45 14.157 -8.684 2.021 1.00 1.33 H new ATOM 0 HD2 TYR A 45 10.754 -8.580 4.642 1.00 1.12 H new ATOM 0 HE1 TYR A 45 13.963 -11.150 1.865 1.00 1.43 H new ATOM 0 HE2 TYR A 45 10.560 -11.047 4.483 1.00 1.05 H new ATOM 0 HH TYR A 45 11.383 -12.934 3.618 1.00 0.57 H new ATOM 737 N ALA A 46 10.086 -5.132 2.641 1.00 0.22 N ATOM 738 CA ALA A 46 8.607 -4.949 2.654 1.00 0.24 C ATOM 739 C ALA A 46 8.123 -4.587 1.251 1.00 0.25 C ATOM 740 O ALA A 46 7.016 -4.905 0.863 1.00 0.28 O ATOM 741 CB ALA A 46 8.241 -3.822 3.621 1.00 0.26 C ATOM 0 H ALA A 46 10.619 -4.380 3.078 1.00 0.22 H new ATOM 0 HA ALA A 46 8.132 -5.876 2.975 1.00 0.24 H new ATOM 0 HB1 ALA A 46 7.159 -3.688 3.631 1.00 0.26 H new ATOM 0 HB2 ALA A 46 8.584 -4.077 4.624 1.00 0.26 H new ATOM 0 HB3 ALA A 46 8.718 -2.897 3.299 1.00 0.26 H new ATOM 747 N TRP A 47 8.942 -3.920 0.487 1.00 0.26 N ATOM 748 CA TRP A 47 8.524 -3.532 -0.886 1.00 0.29 C ATOM 749 C TRP A 47 8.375 -4.787 -1.750 1.00 0.29 C ATOM 750 O TRP A 47 7.387 -4.957 -2.437 1.00 0.29 O ATOM 751 CB TRP A 47 9.575 -2.588 -1.482 1.00 0.33 C ATOM 752 CG TRP A 47 9.259 -2.276 -2.913 1.00 0.34 C ATOM 753 CD1 TRP A 47 10.088 -2.527 -3.953 1.00 0.38 C ATOM 754 CD2 TRP A 47 8.067 -1.651 -3.484 1.00 0.35 C ATOM 755 NE1 TRP A 47 9.483 -2.105 -5.122 1.00 0.40 N ATOM 756 CE2 TRP A 47 8.237 -1.560 -4.887 1.00 0.38 C ATOM 757 CE3 TRP A 47 6.865 -1.160 -2.933 1.00 0.36 C ATOM 758 CZ2 TRP A 47 7.256 -1.007 -5.711 1.00 0.42 C ATOM 759 CZ3 TRP A 47 5.877 -0.604 -3.761 1.00 0.42 C ATOM 760 CH2 TRP A 47 6.072 -0.528 -5.146 1.00 0.44 C ATOM 0 H TRP A 47 9.882 -3.628 0.755 1.00 0.26 H new ATOM 0 HA TRP A 47 7.563 -3.018 -0.853 1.00 0.29 H new ATOM 0 HB2 TRP A 47 9.611 -1.665 -0.903 1.00 0.33 H new ATOM 0 HB3 TRP A 47 10.562 -3.046 -1.414 1.00 0.33 H new ATOM 0 HD1 TRP A 47 11.064 -2.983 -3.881 1.00 0.38 H new ATOM 0 HE1 TRP A 47 9.906 -2.187 -6.046 1.00 0.40 H new ATOM 0 HE3 TRP A 47 6.704 -1.212 -1.866 1.00 0.36 H new ATOM 0 HZ2 TRP A 47 7.411 -0.950 -6.778 1.00 0.42 H new ATOM 0 HZ3 TRP A 47 4.960 -0.232 -3.327 1.00 0.42 H new ATOM 0 HH2 TRP A 47 5.307 -0.099 -5.777 1.00 0.44 H new ATOM 771 N GLY A 48 9.344 -5.664 -1.742 1.00 0.29 N ATOM 772 CA GLY A 48 9.239 -6.890 -2.582 1.00 0.30 C ATOM 773 C GLY A 48 8.032 -7.718 -2.141 1.00 0.27 C ATOM 774 O GLY A 48 7.342 -8.306 -2.950 1.00 0.29 O ATOM 0 H GLY A 48 10.199 -5.584 -1.192 1.00 0.29 H new ATOM 0 HA2 GLY A 48 9.139 -6.615 -3.632 1.00 0.30 H new ATOM 0 HA3 GLY A 48 10.150 -7.482 -2.493 1.00 0.30 H new ATOM 778 N LEU A 49 7.779 -7.779 -0.864 1.00 0.25 N ATOM 779 CA LEU A 49 6.624 -8.580 -0.372 1.00 0.24 C ATOM 780 C LEU A 49 5.316 -7.973 -0.883 1.00 0.24 C ATOM 781 O LEU A 49 4.357 -8.675 -1.138 1.00 0.29 O ATOM 782 CB LEU A 49 6.623 -8.597 1.162 1.00 0.23 C ATOM 783 CG LEU A 49 7.830 -9.398 1.680 1.00 0.23 C ATOM 784 CD1 LEU A 49 8.044 -9.090 3.167 1.00 0.24 C ATOM 785 CD2 LEU A 49 7.582 -10.909 1.519 1.00 0.26 C ATOM 0 H LEU A 49 8.322 -7.309 -0.140 1.00 0.25 H new ATOM 0 HA LEU A 49 6.713 -9.601 -0.743 1.00 0.24 H new ATOM 0 HB2 LEU A 49 6.661 -7.577 1.545 1.00 0.23 H new ATOM 0 HB3 LEU A 49 5.697 -9.041 1.528 1.00 0.23 H new ATOM 0 HG LEU A 49 8.710 -9.114 1.103 1.00 0.23 H new ATOM 0 HD11 LEU A 49 8.899 -9.656 3.537 1.00 0.24 H new ATOM 0 HD12 LEU A 49 8.233 -8.024 3.294 1.00 0.24 H new ATOM 0 HD13 LEU A 49 7.153 -9.370 3.729 1.00 0.24 H new ATOM 0 HD21 LEU A 49 8.445 -11.461 1.890 1.00 0.26 H new ATOM 0 HD22 LEU A 49 6.697 -11.195 2.087 1.00 0.26 H new ATOM 0 HD23 LEU A 49 7.428 -11.142 0.465 1.00 0.26 H new ATOM 797 N ILE A 50 5.264 -6.680 -1.040 1.00 0.24 N ATOM 798 CA ILE A 50 4.010 -6.050 -1.539 1.00 0.26 C ATOM 799 C ILE A 50 3.826 -6.388 -3.021 1.00 0.27 C ATOM 800 O ILE A 50 2.714 -6.496 -3.500 1.00 0.29 O ATOM 801 CB ILE A 50 4.084 -4.528 -1.349 1.00 0.28 C ATOM 802 CG1 ILE A 50 3.912 -4.200 0.137 1.00 0.32 C ATOM 803 CG2 ILE A 50 2.971 -3.840 -2.151 1.00 0.32 C ATOM 804 CD1 ILE A 50 4.266 -2.733 0.386 1.00 0.73 C ATOM 0 H ILE A 50 6.030 -6.035 -0.846 1.00 0.24 H new ATOM 0 HA ILE A 50 3.159 -6.434 -0.976 1.00 0.26 H new ATOM 0 HB ILE A 50 5.051 -4.169 -1.703 1.00 0.28 H new ATOM 0 HG12 ILE A 50 2.885 -4.393 0.445 1.00 0.32 H new ATOM 0 HG13 ILE A 50 4.552 -4.846 0.738 1.00 0.32 H new ATOM 0 HG21 ILE A 50 3.034 -2.761 -2.009 1.00 0.32 H new ATOM 0 HG22 ILE A 50 3.087 -4.074 -3.209 1.00 0.32 H new ATOM 0 HG23 ILE A 50 2.000 -4.196 -1.806 1.00 0.32 H new ATOM 0 HD11 ILE A 50 4.142 -2.503 1.444 1.00 0.73 H new ATOM 0 HD12 ILE A 50 5.301 -2.554 0.094 1.00 0.73 H new ATOM 0 HD13 ILE A 50 3.607 -2.095 -0.203 1.00 0.73 H new ATOM 816 N LYS A 51 4.892 -6.563 -3.760 1.00 0.28 N ATOM 817 CA LYS A 51 4.749 -6.895 -5.205 1.00 0.31 C ATOM 818 C LYS A 51 4.348 -8.363 -5.353 1.00 0.31 C ATOM 819 O LYS A 51 4.047 -8.829 -6.434 1.00 0.36 O ATOM 820 CB LYS A 51 6.092 -6.655 -5.906 1.00 0.37 C ATOM 821 CG LYS A 51 6.454 -5.168 -5.815 1.00 0.72 C ATOM 822 CD LYS A 51 7.906 -4.952 -6.262 1.00 0.79 C ATOM 823 CE LYS A 51 8.030 -5.165 -7.774 1.00 0.87 C ATOM 824 NZ LYS A 51 9.335 -4.618 -8.245 1.00 1.58 N ATOM 0 H LYS A 51 5.852 -6.490 -3.424 1.00 0.28 H new ATOM 0 HA LYS A 51 3.981 -6.266 -5.656 1.00 0.31 H new ATOM 0 HB2 LYS A 51 6.871 -7.260 -5.441 1.00 0.37 H new ATOM 0 HB3 LYS A 51 6.030 -6.963 -6.950 1.00 0.37 H new ATOM 0 HG2 LYS A 51 5.781 -4.583 -6.442 1.00 0.72 H new ATOM 0 HG3 LYS A 51 6.324 -4.816 -4.792 1.00 0.72 H new ATOM 0 HD2 LYS A 51 8.228 -3.944 -6.002 1.00 0.79 H new ATOM 0 HD3 LYS A 51 8.563 -5.643 -5.735 1.00 0.79 H new ATOM 0 HE2 LYS A 51 7.962 -6.227 -8.010 1.00 0.87 H new ATOM 0 HE3 LYS A 51 7.208 -4.670 -8.291 1.00 0.87 H new ATOM 0 HZ1 LYS A 51 9.421 -4.762 -9.271 1.00 1.58 H new ATOM 0 HZ2 LYS A 51 9.382 -3.601 -8.032 1.00 1.58 H new ATOM 0 HZ3 LYS A 51 10.113 -5.109 -7.760 1.00 1.58 H new ATOM 838 N SER A 52 4.340 -9.096 -4.274 1.00 0.32 N ATOM 839 CA SER A 52 3.958 -10.534 -4.352 1.00 0.34 C ATOM 840 C SER A 52 2.489 -10.649 -4.769 1.00 0.35 C ATOM 841 O SER A 52 1.743 -9.692 -4.717 1.00 0.36 O ATOM 842 CB SER A 52 4.150 -11.184 -2.984 1.00 0.36 C ATOM 843 OG SER A 52 3.769 -12.552 -3.056 1.00 1.14 O ATOM 0 H SER A 52 4.582 -8.761 -3.341 1.00 0.32 H new ATOM 0 HA SER A 52 4.585 -11.039 -5.087 1.00 0.34 H new ATOM 0 HB2 SER A 52 5.191 -11.101 -2.672 1.00 0.36 H new ATOM 0 HB3 SER A 52 3.550 -10.666 -2.235 1.00 0.36 H new ATOM 0 HG SER A 52 3.893 -12.973 -2.180 1.00 1.14 H new ATOM 849 N THR A 53 2.071 -11.815 -5.188 1.00 0.38 N ATOM 850 CA THR A 53 0.651 -11.999 -5.616 1.00 0.41 C ATOM 851 C THR A 53 -0.188 -12.498 -4.438 1.00 0.40 C ATOM 852 O THR A 53 -1.337 -12.134 -4.286 1.00 0.52 O ATOM 853 CB THR A 53 0.592 -13.026 -6.748 1.00 0.46 C ATOM 854 OG1 THR A 53 0.993 -14.296 -6.252 1.00 0.51 O ATOM 855 CG2 THR A 53 1.529 -12.596 -7.877 1.00 0.49 C ATOM 0 H THR A 53 2.653 -12.650 -5.253 1.00 0.38 H new ATOM 0 HA THR A 53 0.254 -11.044 -5.961 1.00 0.41 H new ATOM 0 HB THR A 53 -0.427 -13.090 -7.131 1.00 0.46 H new ATOM 0 HG1 THR A 53 0.955 -14.957 -6.975 1.00 0.51 H new ATOM 0 HG21 THR A 53 1.487 -13.328 -8.684 1.00 0.49 H new ATOM 0 HG22 THR A 53 1.220 -11.621 -8.255 1.00 0.49 H new ATOM 0 HG23 THR A 53 2.549 -12.532 -7.499 1.00 0.49 H new ATOM 863 N ASP A 54 0.372 -13.327 -3.599 1.00 0.39 N ATOM 864 CA ASP A 54 -0.407 -13.839 -2.436 1.00 0.38 C ATOM 865 C ASP A 54 -0.552 -12.730 -1.390 1.00 0.37 C ATOM 866 O ASP A 54 0.281 -11.857 -1.255 1.00 0.36 O ATOM 867 CB ASP A 54 0.293 -15.057 -1.825 1.00 0.38 C ATOM 868 CG ASP A 54 0.468 -16.142 -2.889 1.00 1.31 C ATOM 869 OD1 ASP A 54 -0.526 -16.534 -3.475 1.00 2.18 O ATOM 870 OD2 ASP A 54 1.594 -16.563 -3.097 1.00 1.86 O ATOM 0 H ASP A 54 1.330 -13.670 -3.668 1.00 0.39 H new ATOM 0 HA ASP A 54 -1.397 -14.144 -2.774 1.00 0.38 H new ATOM 0 HB2 ASP A 54 1.265 -14.767 -1.425 1.00 0.38 H new ATOM 0 HB3 ASP A 54 -0.292 -15.444 -0.991 1.00 0.38 H new ATOM 875 N VAL A 55 -1.633 -12.777 -0.656 1.00 0.37 N ATOM 876 CA VAL A 55 -1.908 -11.755 0.396 1.00 0.37 C ATOM 877 C VAL A 55 -1.089 -12.054 1.656 1.00 0.35 C ATOM 878 O VAL A 55 -0.887 -11.196 2.491 1.00 0.35 O ATOM 879 CB VAL A 55 -3.405 -11.776 0.734 1.00 0.39 C ATOM 880 CG1 VAL A 55 -3.750 -13.026 1.547 1.00 0.42 C ATOM 881 CG2 VAL A 55 -3.760 -10.530 1.546 1.00 0.40 C ATOM 0 H VAL A 55 -2.351 -13.496 -0.744 1.00 0.37 H new ATOM 0 HA VAL A 55 -1.625 -10.770 0.024 1.00 0.37 H new ATOM 0 HB VAL A 55 -3.976 -11.789 -0.194 1.00 0.39 H new ATOM 0 HG11 VAL A 55 -4.815 -13.027 1.779 1.00 0.42 H new ATOM 0 HG12 VAL A 55 -3.504 -13.916 0.968 1.00 0.42 H new ATOM 0 HG13 VAL A 55 -3.177 -13.027 2.474 1.00 0.42 H new ATOM 0 HG21 VAL A 55 -4.823 -10.543 1.787 1.00 0.40 H new ATOM 0 HG22 VAL A 55 -3.179 -10.519 2.468 1.00 0.40 H new ATOM 0 HG23 VAL A 55 -3.531 -9.638 0.963 1.00 0.40 H new ATOM 891 N ASN A 56 -0.597 -13.249 1.784 1.00 0.34 N ATOM 892 CA ASN A 56 0.224 -13.587 2.983 1.00 0.34 C ATOM 893 C ASN A 56 1.446 -12.661 3.033 1.00 0.31 C ATOM 894 O ASN A 56 1.826 -12.162 4.077 1.00 0.31 O ATOM 895 CB ASN A 56 0.685 -15.043 2.892 1.00 0.36 C ATOM 896 CG ASN A 56 1.421 -15.428 4.177 1.00 1.34 C ATOM 897 OD1 ASN A 56 0.915 -15.230 5.264 1.00 2.14 O ATOM 898 ND2 ASN A 56 2.604 -15.973 4.097 1.00 2.11 N ATOM 0 H ASN A 56 -0.725 -14.008 1.115 1.00 0.34 H new ATOM 0 HA ASN A 56 -0.372 -13.455 3.886 1.00 0.34 H new ATOM 0 HB2 ASN A 56 -0.173 -15.698 2.742 1.00 0.36 H new ATOM 0 HB3 ASN A 56 1.341 -15.175 2.032 1.00 0.36 H new ATOM 0 HD21 ASN A 56 3.104 -16.233 4.947 1.00 2.11 H new ATOM 0 HD22 ASN A 56 3.028 -16.139 3.184 1.00 2.11 H new ATOM 905 N ASP A 57 2.060 -12.420 1.909 1.00 0.30 N ATOM 906 CA ASP A 57 3.249 -11.526 1.886 1.00 0.30 C ATOM 907 C ASP A 57 2.786 -10.067 1.939 1.00 0.29 C ATOM 908 O ASP A 57 3.488 -9.197 2.414 1.00 0.28 O ATOM 909 CB ASP A 57 4.035 -11.770 0.596 1.00 0.33 C ATOM 910 CG ASP A 57 4.796 -13.093 0.701 1.00 0.42 C ATOM 911 OD1 ASP A 57 4.242 -14.031 1.251 1.00 1.23 O ATOM 912 OD2 ASP A 57 5.920 -13.147 0.229 1.00 1.09 O ATOM 0 H ASP A 57 1.789 -12.804 1.004 1.00 0.30 H new ATOM 0 HA ASP A 57 3.886 -11.734 2.746 1.00 0.30 H new ATOM 0 HB2 ASP A 57 3.356 -11.796 -0.256 1.00 0.33 H new ATOM 0 HB3 ASP A 57 4.732 -10.950 0.423 1.00 0.33 H new ATOM 917 N GLU A 58 1.605 -9.797 1.452 1.00 0.33 N ATOM 918 CA GLU A 58 1.085 -8.399 1.468 1.00 0.36 C ATOM 919 C GLU A 58 0.852 -7.949 2.912 1.00 0.34 C ATOM 920 O GLU A 58 1.289 -6.891 3.321 1.00 0.34 O ATOM 921 CB GLU A 58 -0.240 -8.348 0.705 1.00 0.42 C ATOM 922 CG GLU A 58 -0.685 -6.894 0.528 1.00 0.92 C ATOM 923 CD GLU A 58 0.241 -6.190 -0.465 1.00 1.66 C ATOM 924 OE1 GLU A 58 0.685 -6.841 -1.396 1.00 2.21 O ATOM 925 OE2 GLU A 58 0.490 -5.010 -0.278 1.00 2.45 O ATOM 0 H GLU A 58 0.975 -10.487 1.042 1.00 0.33 H new ATOM 0 HA GLU A 58 1.812 -7.737 0.997 1.00 0.36 H new ATOM 0 HB2 GLU A 58 -0.127 -8.824 -0.269 1.00 0.42 H new ATOM 0 HB3 GLU A 58 -1.003 -8.907 1.246 1.00 0.42 H new ATOM 0 HG2 GLU A 58 -1.714 -6.859 0.169 1.00 0.92 H new ATOM 0 HG3 GLU A 58 -0.665 -6.378 1.488 1.00 0.92 H new ATOM 932 N ARG A 59 0.170 -8.744 3.689 1.00 0.33 N ATOM 933 CA ARG A 59 -0.090 -8.363 5.106 1.00 0.34 C ATOM 934 C ARG A 59 1.226 -8.342 5.881 1.00 0.30 C ATOM 935 O ARG A 59 1.365 -7.641 6.864 1.00 0.31 O ATOM 936 CB ARG A 59 -1.039 -9.378 5.749 1.00 0.40 C ATOM 937 CG ARG A 59 -0.409 -10.769 5.691 1.00 0.68 C ATOM 938 CD ARG A 59 -1.442 -11.823 6.094 1.00 0.95 C ATOM 939 NE ARG A 59 -2.116 -11.403 7.355 1.00 1.62 N ATOM 940 CZ ARG A 59 -3.218 -11.991 7.735 1.00 2.13 C ATOM 941 NH1 ARG A 59 -3.731 -12.950 7.012 1.00 2.23 N ATOM 942 NH2 ARG A 59 -3.807 -11.621 8.839 1.00 3.12 N ATOM 0 H ARG A 59 -0.219 -9.643 3.404 1.00 0.33 H new ATOM 0 HA ARG A 59 -0.545 -7.373 5.132 1.00 0.34 H new ATOM 0 HB2 ARG A 59 -1.239 -9.100 6.784 1.00 0.40 H new ATOM 0 HB3 ARG A 59 -1.996 -9.378 5.228 1.00 0.40 H new ATOM 0 HG2 ARG A 59 -0.044 -10.971 4.684 1.00 0.68 H new ATOM 0 HG3 ARG A 59 0.452 -10.816 6.358 1.00 0.68 H new ATOM 0 HD2 ARG A 59 -2.178 -11.948 5.300 1.00 0.95 H new ATOM 0 HD3 ARG A 59 -0.956 -12.789 6.233 1.00 0.95 H new ATOM 0 HE ARG A 59 -1.716 -10.655 7.922 1.00 1.62 H new ATOM 0 HH11 ARG A 59 -3.271 -13.240 6.149 1.00 2.23 H new ATOM 0 HH12 ARG A 59 -4.592 -13.409 7.310 1.00 2.23 H new ATOM 0 HH21 ARG A 59 -3.406 -10.873 9.405 1.00 3.12 H new ATOM 0 HH22 ARG A 59 -4.668 -12.080 9.136 1.00 3.12 H new ATOM 956 N LEU A 60 2.206 -9.083 5.437 1.00 0.28 N ATOM 957 CA LEU A 60 3.514 -9.077 6.148 1.00 0.27 C ATOM 958 C LEU A 60 4.236 -7.757 5.856 1.00 0.25 C ATOM 959 O LEU A 60 4.792 -7.133 6.737 1.00 0.26 O ATOM 960 CB LEU A 60 4.362 -10.256 5.653 1.00 0.29 C ATOM 961 CG LEU A 60 5.745 -10.249 6.324 1.00 0.30 C ATOM 962 CD1 LEU A 60 5.597 -10.345 7.852 1.00 0.32 C ATOM 963 CD2 LEU A 60 6.550 -11.447 5.810 1.00 0.34 C ATOM 0 H LEU A 60 2.157 -9.688 4.617 1.00 0.28 H new ATOM 0 HA LEU A 60 3.357 -9.173 7.222 1.00 0.27 H new ATOM 0 HB2 LEU A 60 3.852 -11.194 5.870 1.00 0.29 H new ATOM 0 HB3 LEU A 60 4.477 -10.199 4.571 1.00 0.29 H new ATOM 0 HG LEU A 60 6.260 -9.320 6.082 1.00 0.30 H new ATOM 0 HD11 LEU A 60 6.584 -10.339 8.314 1.00 0.32 H new ATOM 0 HD12 LEU A 60 5.021 -9.494 8.216 1.00 0.32 H new ATOM 0 HD13 LEU A 60 5.081 -11.270 8.110 1.00 0.32 H new ATOM 0 HD21 LEU A 60 7.534 -11.453 6.279 1.00 0.34 H new ATOM 0 HD22 LEU A 60 6.025 -12.370 6.056 1.00 0.34 H new ATOM 0 HD23 LEU A 60 6.664 -11.372 4.729 1.00 0.34 H new ATOM 975 N GLY A 61 4.234 -7.331 4.621 1.00 0.22 N ATOM 976 CA GLY A 61 4.923 -6.056 4.267 1.00 0.21 C ATOM 977 C GLY A 61 4.266 -4.886 5.004 1.00 0.20 C ATOM 978 O GLY A 61 4.936 -4.027 5.543 1.00 0.21 O ATOM 0 H GLY A 61 3.785 -7.811 3.841 1.00 0.22 H new ATOM 0 HA2 GLY A 61 5.979 -6.117 4.532 1.00 0.21 H new ATOM 0 HA3 GLY A 61 4.874 -5.893 3.190 1.00 0.21 H new ATOM 982 N VAL A 62 2.963 -4.841 5.032 1.00 0.20 N ATOM 983 CA VAL A 62 2.271 -3.723 5.735 1.00 0.21 C ATOM 984 C VAL A 62 2.678 -3.736 7.212 1.00 0.22 C ATOM 985 O VAL A 62 2.873 -2.703 7.822 1.00 0.25 O ATOM 986 CB VAL A 62 0.738 -3.902 5.583 1.00 0.23 C ATOM 987 CG1 VAL A 62 -0.008 -3.402 6.833 1.00 0.28 C ATOM 988 CG2 VAL A 62 0.246 -3.119 4.358 1.00 0.31 C ATOM 0 H VAL A 62 2.347 -5.529 4.599 1.00 0.20 H new ATOM 0 HA VAL A 62 2.555 -2.764 5.302 1.00 0.21 H new ATOM 0 HB VAL A 62 0.533 -4.965 5.458 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -1.080 -3.541 6.696 1.00 0.28 H new ATOM 0 HG12 VAL A 62 0.323 -3.967 7.704 1.00 0.28 H new ATOM 0 HG13 VAL A 62 0.205 -2.344 6.985 1.00 0.28 H new ATOM 0 HG21 VAL A 62 -0.831 -3.246 4.253 1.00 0.31 H new ATOM 0 HG22 VAL A 62 0.476 -2.061 4.486 1.00 0.31 H new ATOM 0 HG23 VAL A 62 0.744 -3.493 3.463 1.00 0.31 H new ATOM 998 N LYS A 63 2.792 -4.894 7.791 1.00 0.24 N ATOM 999 CA LYS A 63 3.169 -4.971 9.226 1.00 0.28 C ATOM 1000 C LYS A 63 4.601 -4.459 9.409 1.00 0.26 C ATOM 1001 O LYS A 63 4.907 -3.778 10.368 1.00 0.29 O ATOM 1002 CB LYS A 63 3.060 -6.425 9.688 1.00 0.33 C ATOM 1003 CG LYS A 63 3.005 -6.480 11.216 1.00 0.47 C ATOM 1004 CD LYS A 63 3.060 -7.940 11.682 1.00 0.58 C ATOM 1005 CE LYS A 63 1.881 -8.733 11.092 1.00 1.60 C ATOM 1006 NZ LYS A 63 2.278 -9.303 9.774 1.00 2.36 N ATOM 0 H LYS A 63 2.640 -5.792 7.332 1.00 0.24 H new ATOM 0 HA LYS A 63 2.500 -4.352 9.823 1.00 0.28 H new ATOM 0 HB2 LYS A 63 2.166 -6.884 9.266 1.00 0.33 H new ATOM 0 HB3 LYS A 63 3.914 -6.997 9.325 1.00 0.33 H new ATOM 0 HG2 LYS A 63 3.839 -5.921 11.640 1.00 0.47 H new ATOM 0 HG3 LYS A 63 2.090 -6.008 11.574 1.00 0.47 H new ATOM 0 HD2 LYS A 63 4.002 -8.392 11.373 1.00 0.58 H new ATOM 0 HD3 LYS A 63 3.028 -7.983 12.771 1.00 0.58 H new ATOM 0 HE2 LYS A 63 1.589 -9.532 11.773 1.00 1.60 H new ATOM 0 HE3 LYS A 63 1.014 -8.083 10.973 1.00 1.60 H new ATOM 0 HZ1 LYS A 63 1.659 -8.922 9.030 1.00 2.36 H new ATOM 0 HZ2 LYS A 63 3.265 -9.047 9.568 1.00 2.36 H new ATOM 0 HZ3 LYS A 63 2.188 -10.339 9.802 1.00 2.36 H new ATOM 1020 N ILE A 64 5.478 -4.769 8.493 1.00 0.25 N ATOM 1021 CA ILE A 64 6.884 -4.287 8.613 1.00 0.25 C ATOM 1022 C ILE A 64 6.902 -2.763 8.452 1.00 0.22 C ATOM 1023 O ILE A 64 7.502 -2.052 9.233 1.00 0.22 O ATOM 1024 CB ILE A 64 7.740 -4.947 7.518 1.00 0.28 C ATOM 1025 CG1 ILE A 64 8.031 -6.397 7.912 1.00 0.33 C ATOM 1026 CG2 ILE A 64 9.067 -4.196 7.353 1.00 0.32 C ATOM 1027 CD1 ILE A 64 8.564 -7.163 6.699 1.00 0.35 C ATOM 0 H ILE A 64 5.282 -5.335 7.667 1.00 0.25 H new ATOM 0 HA ILE A 64 7.292 -4.550 9.589 1.00 0.25 H new ATOM 0 HB ILE A 64 7.194 -4.916 6.575 1.00 0.28 H new ATOM 0 HG12 ILE A 64 8.761 -6.425 8.721 1.00 0.33 H new ATOM 0 HG13 ILE A 64 7.123 -6.872 8.284 1.00 0.33 H new ATOM 0 HG21 ILE A 64 9.662 -4.675 6.575 1.00 0.32 H new ATOM 0 HG22 ILE A 64 8.867 -3.162 7.073 1.00 0.32 H new ATOM 0 HG23 ILE A 64 9.616 -4.217 8.294 1.00 0.32 H new ATOM 0 HD11 ILE A 64 8.770 -8.195 6.982 1.00 0.35 H new ATOM 0 HD12 ILE A 64 7.820 -7.147 5.903 1.00 0.35 H new ATOM 0 HD13 ILE A 64 9.482 -6.693 6.347 1.00 0.35 H new ATOM 1039 N LEU A 65 6.243 -2.261 7.447 1.00 0.20 N ATOM 1040 CA LEU A 65 6.212 -0.788 7.231 1.00 0.19 C ATOM 1041 C LEU A 65 5.611 -0.101 8.458 1.00 0.19 C ATOM 1042 O LEU A 65 5.948 1.022 8.776 1.00 0.20 O ATOM 1043 CB LEU A 65 5.353 -0.467 6.001 1.00 0.22 C ATOM 1044 CG LEU A 65 6.118 -0.820 4.706 1.00 0.29 C ATOM 1045 CD1 LEU A 65 5.123 -1.147 3.589 1.00 0.69 C ATOM 1046 CD2 LEU A 65 6.984 0.370 4.265 1.00 0.42 C ATOM 0 H LEU A 65 5.722 -2.809 6.763 1.00 0.20 H new ATOM 0 HA LEU A 65 7.228 -0.427 7.072 1.00 0.19 H new ATOM 0 HB2 LEU A 65 4.419 -1.028 6.044 1.00 0.22 H new ATOM 0 HB3 LEU A 65 5.089 0.591 5.999 1.00 0.22 H new ATOM 0 HG LEU A 65 6.754 -1.684 4.901 1.00 0.29 H new ATOM 0 HD11 LEU A 65 5.667 -1.395 2.678 1.00 0.69 H new ATOM 0 HD12 LEU A 65 4.508 -1.996 3.887 1.00 0.69 H new ATOM 0 HD13 LEU A 65 4.484 -0.283 3.406 1.00 0.69 H new ATOM 0 HD21 LEU A 65 7.519 0.112 3.351 1.00 0.42 H new ATOM 0 HD22 LEU A 65 6.347 1.235 4.080 1.00 0.42 H new ATOM 0 HD23 LEU A 65 7.701 0.609 5.050 1.00 0.42 H new ATOM 1058 N THR A 66 4.739 -0.770 9.164 1.00 0.21 N ATOM 1059 CA THR A 66 4.130 -0.160 10.374 1.00 0.25 C ATOM 1060 C THR A 66 5.103 -0.272 11.550 1.00 0.28 C ATOM 1061 O THR A 66 5.154 0.585 12.409 1.00 0.31 O ATOM 1062 CB THR A 66 2.845 -0.918 10.709 1.00 0.29 C ATOM 1063 OG1 THR A 66 2.036 -1.020 9.545 1.00 0.43 O ATOM 1064 CG2 THR A 66 2.084 -0.172 11.798 1.00 0.36 C ATOM 0 H THR A 66 4.423 -1.716 8.951 1.00 0.21 H new ATOM 0 HA THR A 66 3.910 0.891 10.188 1.00 0.25 H new ATOM 0 HB THR A 66 3.095 -1.918 11.063 1.00 0.29 H new ATOM 0 HG1 THR A 66 2.396 -1.716 8.956 1.00 0.43 H new ATOM 0 HG21 THR A 66 1.168 -0.712 12.037 1.00 0.36 H new ATOM 0 HG22 THR A 66 2.705 -0.098 12.691 1.00 0.36 H new ATOM 0 HG23 THR A 66 1.834 0.829 11.447 1.00 0.36 H new ATOM 1072 N ASP A 67 5.898 -1.307 11.576 1.00 0.29 N ATOM 1073 CA ASP A 67 6.886 -1.453 12.680 1.00 0.34 C ATOM 1074 C ASP A 67 7.992 -0.420 12.470 1.00 0.32 C ATOM 1075 O ASP A 67 8.430 0.240 13.392 1.00 0.35 O ATOM 1076 CB ASP A 67 7.482 -2.863 12.662 1.00 0.40 C ATOM 1077 CG ASP A 67 8.544 -2.984 13.757 1.00 1.30 C ATOM 1078 OD1 ASP A 67 8.169 -3.197 14.899 1.00 2.12 O ATOM 1079 OD2 ASP A 67 9.715 -2.862 13.436 1.00 1.94 O ATOM 0 H ASP A 67 5.906 -2.055 10.883 1.00 0.29 H new ATOM 0 HA ASP A 67 6.400 -1.294 13.643 1.00 0.34 H new ATOM 0 HB2 ASP A 67 6.697 -3.603 12.819 1.00 0.40 H new ATOM 0 HB3 ASP A 67 7.924 -3.070 11.687 1.00 0.40 H new ATOM 1084 N ILE A 68 8.435 -0.269 11.252 1.00 0.30 N ATOM 1085 CA ILE A 68 9.502 0.725 10.946 1.00 0.29 C ATOM 1086 C ILE A 68 8.937 2.138 11.127 1.00 0.27 C ATOM 1087 O ILE A 68 9.642 3.068 11.464 1.00 0.31 O ATOM 1088 CB ILE A 68 9.958 0.526 9.497 1.00 0.30 C ATOM 1089 CG1 ILE A 68 10.527 -0.890 9.348 1.00 0.34 C ATOM 1090 CG2 ILE A 68 11.034 1.558 9.140 1.00 0.33 C ATOM 1091 CD1 ILE A 68 10.770 -1.205 7.870 1.00 0.35 C ATOM 0 H ILE A 68 8.099 -0.798 10.447 1.00 0.30 H new ATOM 0 HA ILE A 68 10.350 0.590 11.617 1.00 0.29 H new ATOM 0 HB ILE A 68 9.111 0.658 8.824 1.00 0.30 H new ATOM 0 HG12 ILE A 68 11.460 -0.976 9.905 1.00 0.34 H new ATOM 0 HG13 ILE A 68 9.834 -1.616 9.774 1.00 0.34 H new ATOM 0 HG21 ILE A 68 11.353 1.409 8.108 1.00 0.33 H new ATOM 0 HG22 ILE A 68 10.626 2.563 9.253 1.00 0.33 H new ATOM 0 HG23 ILE A 68 11.889 1.437 9.805 1.00 0.33 H new ATOM 0 HD11 ILE A 68 11.174 -2.213 7.774 1.00 0.35 H new ATOM 0 HD12 ILE A 68 9.829 -1.138 7.324 1.00 0.35 H new ATOM 0 HD13 ILE A 68 11.480 -0.489 7.457 1.00 0.35 H new ATOM 1103 N TYR A 69 7.658 2.290 10.916 1.00 0.26 N ATOM 1104 CA TYR A 69 7.022 3.628 11.082 1.00 0.26 C ATOM 1105 C TYR A 69 7.094 4.045 12.557 1.00 0.28 C ATOM 1106 O TYR A 69 7.424 5.170 12.880 1.00 0.34 O ATOM 1107 CB TYR A 69 5.557 3.556 10.635 1.00 0.29 C ATOM 1108 CG TYR A 69 4.829 4.823 11.031 1.00 0.27 C ATOM 1109 CD1 TYR A 69 4.306 4.952 12.324 1.00 1.25 C ATOM 1110 CD2 TYR A 69 4.677 5.865 10.109 1.00 1.22 C ATOM 1111 CE1 TYR A 69 3.632 6.122 12.694 1.00 1.28 C ATOM 1112 CE2 TYR A 69 4.002 7.036 10.480 1.00 1.23 C ATOM 1113 CZ TYR A 69 3.480 7.164 11.772 1.00 0.38 C ATOM 1114 OH TYR A 69 2.818 8.318 12.138 1.00 0.47 O ATOM 0 H TYR A 69 7.024 1.542 10.635 1.00 0.26 H new ATOM 0 HA TYR A 69 7.548 4.363 10.472 1.00 0.26 H new ATOM 0 HB2 TYR A 69 5.505 3.420 9.555 1.00 0.29 H new ATOM 0 HB3 TYR A 69 5.072 2.692 11.089 1.00 0.29 H new ATOM 0 HD1 TYR A 69 4.423 4.148 13.036 1.00 1.25 H new ATOM 0 HD2 TYR A 69 5.080 5.767 9.112 1.00 1.22 H new ATOM 0 HE1 TYR A 69 3.229 6.221 13.691 1.00 1.28 H new ATOM 0 HE2 TYR A 69 3.885 7.840 9.768 1.00 1.23 H new ATOM 0 HH TYR A 69 2.802 8.940 11.381 1.00 0.47 H new ATOM 1124 N LYS A 70 6.774 3.150 13.451 1.00 0.31 N ATOM 1125 CA LYS A 70 6.804 3.491 14.903 1.00 0.38 C ATOM 1126 C LYS A 70 8.245 3.575 15.416 1.00 0.38 C ATOM 1127 O LYS A 70 8.522 4.254 16.386 1.00 0.45 O ATOM 1128 CB LYS A 70 6.063 2.410 15.693 1.00 0.50 C ATOM 1129 CG LYS A 70 4.589 2.389 15.287 1.00 0.79 C ATOM 1130 CD LYS A 70 3.827 1.418 16.191 1.00 0.88 C ATOM 1131 CE LYS A 70 2.358 1.370 15.770 1.00 1.50 C ATOM 1132 NZ LYS A 70 1.779 2.742 15.830 1.00 2.26 N ATOM 0 H LYS A 70 6.492 2.193 13.238 1.00 0.31 H new ATOM 0 HA LYS A 70 6.324 4.460 15.038 1.00 0.38 H new ATOM 0 HB2 LYS A 70 6.515 1.436 15.506 1.00 0.50 H new ATOM 0 HB3 LYS A 70 6.152 2.603 16.762 1.00 0.50 H new ATOM 0 HG2 LYS A 70 4.164 3.389 15.369 1.00 0.79 H new ATOM 0 HG3 LYS A 70 4.492 2.085 14.245 1.00 0.79 H new ATOM 0 HD2 LYS A 70 4.267 0.423 16.126 1.00 0.88 H new ATOM 0 HD3 LYS A 70 3.907 1.734 17.231 1.00 0.88 H new ATOM 0 HE2 LYS A 70 2.271 0.971 14.759 1.00 1.50 H new ATOM 0 HE3 LYS A 70 1.802 0.700 16.426 1.00 1.50 H new ATOM 0 HZ1 LYS A 70 0.742 2.679 15.881 1.00 2.26 H new ATOM 0 HZ2 LYS A 70 2.138 3.234 16.673 1.00 2.26 H new ATOM 0 HZ3 LYS A 70 2.052 3.272 14.978 1.00 2.26 H new ATOM 1146 N GLU A 71 9.167 2.886 14.791 1.00 0.40 N ATOM 1147 CA GLU A 71 10.590 2.919 15.266 1.00 0.52 C ATOM 1148 C GLU A 71 11.398 3.936 14.450 1.00 0.55 C ATOM 1149 O GLU A 71 12.320 4.547 14.952 1.00 1.13 O ATOM 1150 CB GLU A 71 11.205 1.504 15.103 1.00 0.63 C ATOM 1151 CG GLU A 71 11.513 0.890 16.474 1.00 0.99 C ATOM 1152 CD GLU A 71 10.208 0.680 17.241 1.00 1.55 C ATOM 1153 OE1 GLU A 71 9.553 -0.320 16.994 1.00 2.27 O ATOM 1154 OE2 GLU A 71 9.883 1.522 18.062 1.00 2.13 O ATOM 0 H GLU A 71 8.999 2.301 13.972 1.00 0.40 H new ATOM 0 HA GLU A 71 10.618 3.217 16.314 1.00 0.52 H new ATOM 0 HB2 GLU A 71 10.514 0.862 14.557 1.00 0.63 H new ATOM 0 HB3 GLU A 71 12.119 1.564 14.512 1.00 0.63 H new ATOM 0 HG2 GLU A 71 12.032 -0.060 16.351 1.00 0.99 H new ATOM 0 HG3 GLU A 71 12.177 1.545 17.037 1.00 0.99 H new ATOM 1161 N ALA A 72 11.074 4.123 13.202 1.00 0.59 N ATOM 1162 CA ALA A 72 11.846 5.098 12.380 1.00 0.57 C ATOM 1163 C ALA A 72 11.297 6.506 12.604 1.00 0.65 C ATOM 1164 O ALA A 72 10.442 6.724 13.440 1.00 1.23 O ATOM 1165 CB ALA A 72 11.729 4.728 10.902 1.00 0.60 C ATOM 0 H ALA A 72 10.313 3.647 12.717 1.00 0.59 H new ATOM 0 HA ALA A 72 12.895 5.070 12.676 1.00 0.57 H new ATOM 0 HB1 ALA A 72 12.294 5.442 10.302 1.00 0.60 H new ATOM 0 HB2 ALA A 72 12.128 3.726 10.745 1.00 0.60 H new ATOM 0 HB3 ALA A 72 10.681 4.752 10.603 1.00 0.60 H new ATOM 1171 N GLU A 73 11.790 7.465 11.863 1.00 0.71 N ATOM 1172 CA GLU A 73 11.314 8.878 12.018 1.00 0.77 C ATOM 1173 C GLU A 73 11.071 9.485 10.630 1.00 0.65 C ATOM 1174 O GLU A 73 10.155 9.094 9.942 1.00 1.06 O ATOM 1175 CB GLU A 73 12.375 9.686 12.773 1.00 1.08 C ATOM 1176 CG GLU A 73 11.782 11.030 13.206 1.00 1.79 C ATOM 1177 CD GLU A 73 10.837 10.815 14.390 1.00 2.15 C ATOM 1178 OE1 GLU A 73 11.319 10.449 15.450 1.00 2.62 O ATOM 1179 OE2 GLU A 73 9.647 11.021 14.218 1.00 2.60 O ATOM 0 H GLU A 73 12.508 7.331 11.151 1.00 0.71 H new ATOM 0 HA GLU A 73 10.382 8.900 12.582 1.00 0.77 H new ATOM 0 HB2 GLU A 73 12.718 9.130 13.645 1.00 1.08 H new ATOM 0 HB3 GLU A 73 13.245 9.848 12.136 1.00 1.08 H new ATOM 0 HG2 GLU A 73 12.580 11.718 13.485 1.00 1.79 H new ATOM 0 HG3 GLU A 73 11.243 11.486 12.375 1.00 1.79 H new ATOM 1186 N SER A 74 11.870 10.441 10.218 1.00 0.75 N ATOM 1187 CA SER A 74 11.673 11.077 8.875 1.00 0.62 C ATOM 1188 C SER A 74 11.218 10.045 7.828 1.00 0.55 C ATOM 1189 O SER A 74 10.564 10.385 6.862 1.00 0.63 O ATOM 1190 CB SER A 74 12.990 11.705 8.420 1.00 0.82 C ATOM 1191 OG SER A 74 13.962 10.682 8.250 1.00 1.55 O ATOM 0 H SER A 74 12.654 10.810 10.757 1.00 0.75 H new ATOM 0 HA SER A 74 10.898 11.838 8.966 1.00 0.62 H new ATOM 0 HB2 SER A 74 12.845 12.245 7.484 1.00 0.82 H new ATOM 0 HB3 SER A 74 13.334 12.431 9.157 1.00 0.82 H new ATOM 0 HG SER A 74 14.808 11.080 7.956 1.00 1.55 H new ATOM 1197 N ARG A 75 11.547 8.791 8.007 1.00 0.48 N ATOM 1198 CA ARG A 75 11.118 7.765 7.016 1.00 0.45 C ATOM 1199 C ARG A 75 9.586 7.760 6.937 1.00 0.42 C ATOM 1200 O ARG A 75 9.003 7.082 6.114 1.00 0.50 O ATOM 1201 CB ARG A 75 11.646 6.377 7.462 1.00 0.52 C ATOM 1202 CG ARG A 75 12.555 5.763 6.385 1.00 0.81 C ATOM 1203 CD ARG A 75 13.909 6.478 6.382 1.00 1.10 C ATOM 1204 NE ARG A 75 14.640 6.142 5.128 1.00 1.49 N ATOM 1205 CZ ARG A 75 15.677 6.846 4.766 1.00 2.08 C ATOM 1206 NH1 ARG A 75 16.078 7.847 5.502 1.00 2.63 N ATOM 1207 NH2 ARG A 75 16.313 6.549 3.666 1.00 2.72 N ATOM 0 H ARG A 75 12.092 8.437 8.793 1.00 0.48 H new ATOM 0 HA ARG A 75 11.523 7.994 6.030 1.00 0.45 H new ATOM 0 HB2 ARG A 75 12.199 6.477 8.396 1.00 0.52 H new ATOM 0 HB3 ARG A 75 10.806 5.710 7.658 1.00 0.52 H new ATOM 0 HG2 ARG A 75 12.695 4.699 6.577 1.00 0.81 H new ATOM 0 HG3 ARG A 75 12.085 5.851 5.406 1.00 0.81 H new ATOM 0 HD2 ARG A 75 13.764 7.556 6.455 1.00 1.10 H new ATOM 0 HD3 ARG A 75 14.495 6.176 7.250 1.00 1.10 H new ATOM 0 HE ARG A 75 14.329 5.360 4.551 1.00 1.49 H new ATOM 0 HH11 ARG A 75 15.580 8.080 6.361 1.00 2.63 H new ATOM 0 HH12 ARG A 75 16.889 8.396 5.218 1.00 2.63 H new ATOM 0 HH21 ARG A 75 15.999 5.767 3.091 1.00 2.72 H new ATOM 0 HH22 ARG A 75 17.124 7.098 3.382 1.00 2.72 H new ATOM 1221 N ARG A 76 8.930 8.496 7.791 1.00 0.41 N ATOM 1222 CA ARG A 76 7.442 8.516 7.765 1.00 0.47 C ATOM 1223 C ARG A 76 6.951 8.938 6.377 1.00 0.43 C ATOM 1224 O ARG A 76 6.001 8.389 5.856 1.00 0.45 O ATOM 1225 CB ARG A 76 6.934 9.508 8.822 1.00 0.57 C ATOM 1226 CG ARG A 76 6.976 8.852 10.208 1.00 1.08 C ATOM 1227 CD ARG A 76 6.421 9.819 11.264 1.00 1.14 C ATOM 1228 NE ARG A 76 6.994 9.487 12.610 1.00 1.76 N ATOM 1229 CZ ARG A 76 6.954 8.270 13.088 1.00 2.01 C ATOM 1230 NH1 ARG A 76 6.263 7.343 12.485 1.00 1.55 N ATOM 1231 NH2 ARG A 76 7.562 7.994 14.209 1.00 3.05 N ATOM 0 H ARG A 76 9.360 9.084 8.505 1.00 0.41 H new ATOM 0 HA ARG A 76 7.060 7.519 7.985 1.00 0.47 H new ATOM 0 HB2 ARG A 76 7.549 10.408 8.816 1.00 0.57 H new ATOM 0 HB3 ARG A 76 5.916 9.817 8.586 1.00 0.57 H new ATOM 0 HG2 ARG A 76 6.391 7.932 10.202 1.00 1.08 H new ATOM 0 HG3 ARG A 76 8.001 8.576 10.458 1.00 1.08 H new ATOM 0 HD2 ARG A 76 6.670 10.846 10.996 1.00 1.14 H new ATOM 0 HD3 ARG A 76 5.333 9.752 11.295 1.00 1.14 H new ATOM 0 HE ARG A 76 7.424 10.227 13.165 1.00 1.76 H new ATOM 0 HH11 ARG A 76 5.748 7.564 11.633 1.00 1.55 H new ATOM 0 HH12 ARG A 76 6.238 6.397 12.865 1.00 1.55 H new ATOM 0 HH21 ARG A 76 8.066 8.726 14.709 1.00 3.05 H new ATOM 0 HH22 ARG A 76 7.533 7.046 14.585 1.00 3.05 H new ATOM 1245 N ARG A 77 7.577 9.911 5.775 1.00 0.40 N ATOM 1246 CA ARG A 77 7.118 10.356 4.429 1.00 0.43 C ATOM 1247 C ARG A 77 7.036 9.146 3.496 1.00 0.39 C ATOM 1248 O ARG A 77 6.043 8.934 2.829 1.00 0.39 O ATOM 1249 CB ARG A 77 8.105 11.379 3.861 1.00 0.48 C ATOM 1250 CG ARG A 77 8.099 12.631 4.741 1.00 1.10 C ATOM 1251 CD ARG A 77 9.029 13.688 4.141 1.00 1.24 C ATOM 1252 NE ARG A 77 9.003 14.909 4.996 1.00 1.80 N ATOM 1253 CZ ARG A 77 9.921 15.827 4.857 1.00 2.30 C ATOM 1254 NH1 ARG A 77 10.863 15.681 3.965 1.00 2.43 N ATOM 1255 NH2 ARG A 77 9.895 16.892 5.610 1.00 3.22 N ATOM 0 H ARG A 77 8.380 10.414 6.153 1.00 0.40 H new ATOM 0 HA ARG A 77 6.134 10.817 4.514 1.00 0.43 H new ATOM 0 HB2 ARG A 77 9.107 10.952 3.823 1.00 0.48 H new ATOM 0 HB3 ARG A 77 7.830 11.638 2.839 1.00 0.48 H new ATOM 0 HG2 ARG A 77 7.086 13.027 4.820 1.00 1.10 H new ATOM 0 HG3 ARG A 77 8.423 12.379 5.751 1.00 1.10 H new ATOM 0 HD2 ARG A 77 10.045 13.299 4.073 1.00 1.24 H new ATOM 0 HD3 ARG A 77 8.713 13.933 3.127 1.00 1.24 H new ATOM 0 HE ARG A 77 8.266 15.028 5.691 1.00 1.80 H new ATOM 0 HH11 ARG A 77 10.883 14.849 3.375 1.00 2.43 H new ATOM 0 HH12 ARG A 77 11.579 16.399 3.858 1.00 2.43 H new ATOM 0 HH21 ARG A 77 9.158 17.007 6.306 1.00 3.22 H new ATOM 0 HH22 ARG A 77 10.611 17.610 5.503 1.00 3.22 H new ATOM 1269 N GLU A 78 8.071 8.355 3.435 1.00 0.36 N ATOM 1270 CA GLU A 78 8.049 7.166 2.538 1.00 0.36 C ATOM 1271 C GLU A 78 7.014 6.151 3.027 1.00 0.30 C ATOM 1272 O GLU A 78 6.293 5.564 2.246 1.00 0.32 O ATOM 1273 CB GLU A 78 9.428 6.504 2.541 1.00 0.40 C ATOM 1274 CG GLU A 78 10.488 7.518 2.106 1.00 0.91 C ATOM 1275 CD GLU A 78 11.871 6.866 2.172 1.00 1.56 C ATOM 1276 OE1 GLU A 78 11.944 5.660 2.006 1.00 2.33 O ATOM 1277 OE2 GLU A 78 12.832 7.585 2.388 1.00 2.13 O ATOM 0 H GLU A 78 8.932 8.481 3.968 1.00 0.36 H new ATOM 0 HA GLU A 78 7.788 7.491 1.531 1.00 0.36 H new ATOM 0 HB2 GLU A 78 9.659 6.127 3.537 1.00 0.40 H new ATOM 0 HB3 GLU A 78 9.432 5.647 1.867 1.00 0.40 H new ATOM 0 HG2 GLU A 78 10.284 7.862 1.092 1.00 0.91 H new ATOM 0 HG3 GLU A 78 10.456 8.395 2.753 1.00 0.91 H new ATOM 1284 N CYS A 79 6.926 5.939 4.312 1.00 0.27 N ATOM 1285 CA CYS A 79 5.936 4.956 4.839 1.00 0.25 C ATOM 1286 C CYS A 79 4.522 5.364 4.423 1.00 0.23 C ATOM 1287 O CYS A 79 3.761 4.565 3.915 1.00 0.24 O ATOM 1288 CB CYS A 79 6.026 4.920 6.366 1.00 0.29 C ATOM 1289 SG CYS A 79 7.730 4.562 6.862 1.00 1.19 S ATOM 0 H CYS A 79 7.496 6.403 5.019 1.00 0.27 H new ATOM 0 HA CYS A 79 6.157 3.969 4.432 1.00 0.25 H new ATOM 0 HB2 CYS A 79 5.708 5.876 6.782 1.00 0.29 H new ATOM 0 HB3 CYS A 79 5.353 4.160 6.763 1.00 0.29 H new ATOM 0 HG CYS A 79 8.525 5.460 6.361 1.00 1.19 H new ATOM 1295 N LEU A 80 4.161 6.598 4.639 1.00 0.23 N ATOM 1296 CA LEU A 80 2.792 7.046 4.259 1.00 0.23 C ATOM 1297 C LEU A 80 2.543 6.720 2.783 1.00 0.21 C ATOM 1298 O LEU A 80 1.448 6.368 2.392 1.00 0.21 O ATOM 1299 CB LEU A 80 2.668 8.557 4.493 1.00 0.26 C ATOM 1300 CG LEU A 80 2.865 8.875 5.986 1.00 0.27 C ATOM 1301 CD1 LEU A 80 3.149 10.370 6.158 1.00 0.34 C ATOM 1302 CD2 LEU A 80 1.604 8.512 6.783 1.00 0.42 C ATOM 0 H LEU A 80 4.752 7.314 5.061 1.00 0.23 H new ATOM 0 HA LEU A 80 2.051 6.529 4.869 1.00 0.23 H new ATOM 0 HB2 LEU A 80 3.411 9.088 3.898 1.00 0.26 H new ATOM 0 HB3 LEU A 80 1.689 8.905 4.164 1.00 0.26 H new ATOM 0 HG LEU A 80 3.705 8.289 6.358 1.00 0.27 H new ATOM 0 HD11 LEU A 80 3.288 10.595 7.215 1.00 0.34 H new ATOM 0 HD12 LEU A 80 4.053 10.634 5.609 1.00 0.34 H new ATOM 0 HD13 LEU A 80 2.308 10.947 5.772 1.00 0.34 H new ATOM 0 HD21 LEU A 80 1.760 8.743 7.837 1.00 0.42 H new ATOM 0 HD22 LEU A 80 0.758 9.087 6.407 1.00 0.42 H new ATOM 0 HD23 LEU A 80 1.397 7.448 6.672 1.00 0.42 H new ATOM 1314 N TYR A 81 3.545 6.852 1.959 1.00 0.22 N ATOM 1315 CA TYR A 81 3.357 6.561 0.507 1.00 0.23 C ATOM 1316 C TYR A 81 3.237 5.049 0.285 1.00 0.22 C ATOM 1317 O TYR A 81 2.307 4.577 -0.338 1.00 0.22 O ATOM 1318 CB TYR A 81 4.553 7.096 -0.281 1.00 0.26 C ATOM 1319 CG TYR A 81 4.301 6.917 -1.760 1.00 0.30 C ATOM 1320 CD1 TYR A 81 3.549 7.867 -2.461 1.00 1.05 C ATOM 1321 CD2 TYR A 81 4.819 5.801 -2.429 1.00 1.26 C ATOM 1322 CE1 TYR A 81 3.315 7.701 -3.832 1.00 1.04 C ATOM 1323 CE2 TYR A 81 4.584 5.635 -3.799 1.00 1.31 C ATOM 1324 CZ TYR A 81 3.832 6.585 -4.501 1.00 0.46 C ATOM 1325 OH TYR A 81 3.600 6.422 -5.851 1.00 0.55 O ATOM 0 H TYR A 81 4.484 7.148 2.226 1.00 0.22 H new ATOM 0 HA TYR A 81 2.444 7.047 0.163 1.00 0.23 H new ATOM 0 HB2 TYR A 81 4.711 8.150 -0.053 1.00 0.26 H new ATOM 0 HB3 TYR A 81 5.461 6.568 0.011 1.00 0.26 H new ATOM 0 HD1 TYR A 81 3.149 8.728 -1.945 1.00 1.05 H new ATOM 0 HD2 TYR A 81 5.400 5.069 -1.888 1.00 1.26 H new ATOM 0 HE1 TYR A 81 2.736 8.434 -4.373 1.00 1.04 H new ATOM 0 HE2 TYR A 81 4.983 4.774 -4.315 1.00 1.31 H new ATOM 0 HH TYR A 81 4.381 6.003 -6.269 1.00 0.55 H new ATOM 1335 N TYR A 82 4.176 4.287 0.779 1.00 0.23 N ATOM 1336 CA TYR A 82 4.118 2.806 0.583 1.00 0.23 C ATOM 1337 C TYR A 82 2.939 2.202 1.358 1.00 0.22 C ATOM 1338 O TYR A 82 2.332 1.246 0.918 1.00 0.24 O ATOM 1339 CB TYR A 82 5.424 2.171 1.076 1.00 0.25 C ATOM 1340 CG TYR A 82 6.529 2.423 0.072 1.00 0.25 C ATOM 1341 CD1 TYR A 82 6.528 1.743 -1.152 1.00 1.30 C ATOM 1342 CD2 TYR A 82 7.553 3.332 0.365 1.00 1.13 C ATOM 1343 CE1 TYR A 82 7.550 1.973 -2.081 1.00 1.33 C ATOM 1344 CE2 TYR A 82 8.574 3.562 -0.564 1.00 1.12 C ATOM 1345 CZ TYR A 82 8.572 2.883 -1.787 1.00 0.31 C ATOM 1346 OH TYR A 82 9.579 3.109 -2.703 1.00 0.36 O ATOM 0 H TYR A 82 4.980 4.624 1.309 1.00 0.23 H new ATOM 0 HA TYR A 82 3.982 2.603 -0.479 1.00 0.23 H new ATOM 0 HB2 TYR A 82 5.699 2.588 2.045 1.00 0.25 H new ATOM 0 HB3 TYR A 82 5.287 1.099 1.218 1.00 0.25 H new ATOM 0 HD1 TYR A 82 5.739 1.041 -1.379 1.00 1.30 H new ATOM 0 HD2 TYR A 82 7.555 3.856 1.309 1.00 1.13 H new ATOM 0 HE1 TYR A 82 7.550 1.448 -3.025 1.00 1.33 H new ATOM 0 HE2 TYR A 82 9.363 4.263 -0.337 1.00 1.12 H new ATOM 0 HH TYR A 82 10.207 3.770 -2.343 1.00 0.36 H new ATOM 1356 N LEU A 83 2.589 2.749 2.494 1.00 0.21 N ATOM 1357 CA LEU A 83 1.439 2.185 3.250 1.00 0.20 C ATOM 1358 C LEU A 83 0.169 2.399 2.438 1.00 0.20 C ATOM 1359 O LEU A 83 -0.673 1.526 2.356 1.00 0.25 O ATOM 1360 CB LEU A 83 1.311 2.881 4.610 1.00 0.20 C ATOM 1361 CG LEU A 83 2.442 2.424 5.550 1.00 0.22 C ATOM 1362 CD1 LEU A 83 2.564 3.410 6.716 1.00 0.24 C ATOM 1363 CD2 LEU A 83 2.149 1.020 6.110 1.00 0.25 C ATOM 0 H LEU A 83 3.046 3.553 2.924 1.00 0.21 H new ATOM 0 HA LEU A 83 1.597 1.120 3.419 1.00 0.20 H new ATOM 0 HB2 LEU A 83 1.352 3.962 4.479 1.00 0.20 H new ATOM 0 HB3 LEU A 83 0.343 2.651 5.055 1.00 0.20 H new ATOM 0 HG LEU A 83 3.373 2.393 4.983 1.00 0.22 H new ATOM 0 HD11 LEU A 83 3.364 3.088 7.383 1.00 0.24 H new ATOM 0 HD12 LEU A 83 2.791 4.404 6.330 1.00 0.24 H new ATOM 0 HD13 LEU A 83 1.624 3.441 7.266 1.00 0.24 H new ATOM 0 HD21 LEU A 83 2.960 0.716 6.772 1.00 0.25 H new ATOM 0 HD22 LEU A 83 1.213 1.039 6.668 1.00 0.25 H new ATOM 0 HD23 LEU A 83 2.066 0.310 5.287 1.00 0.25 H new ATOM 1375 N THR A 84 0.015 3.538 1.816 1.00 0.19 N ATOM 1376 CA THR A 84 -1.201 3.777 0.998 1.00 0.19 C ATOM 1377 C THR A 84 -1.288 2.703 -0.086 1.00 0.22 C ATOM 1378 O THR A 84 -2.343 2.173 -0.370 1.00 0.24 O ATOM 1379 CB THR A 84 -1.077 5.161 0.346 1.00 0.20 C ATOM 1380 OG1 THR A 84 -0.868 6.139 1.355 1.00 0.22 O ATOM 1381 CG2 THR A 84 -2.349 5.494 -0.432 1.00 0.18 C ATOM 0 H THR A 84 0.681 4.310 1.841 1.00 0.19 H new ATOM 0 HA THR A 84 -2.097 3.737 1.618 1.00 0.19 H new ATOM 0 HB THR A 84 -0.233 5.156 -0.343 1.00 0.20 H new ATOM 0 HG1 THR A 84 0.090 6.333 1.430 1.00 0.22 H new ATOM 0 HG21 THR A 84 -2.248 6.478 -0.890 1.00 0.18 H new ATOM 0 HG22 THR A 84 -2.506 4.747 -1.210 1.00 0.18 H new ATOM 0 HG23 THR A 84 -3.201 5.495 0.247 1.00 0.18 H new ATOM 1389 N ILE A 85 -0.179 2.390 -0.699 1.00 0.23 N ATOM 1390 CA ILE A 85 -0.182 1.359 -1.773 1.00 0.27 C ATOM 1391 C ILE A 85 -0.362 -0.033 -1.163 1.00 0.29 C ATOM 1392 O ILE A 85 -1.225 -0.792 -1.560 1.00 0.31 O ATOM 1393 CB ILE A 85 1.145 1.414 -2.534 1.00 0.29 C ATOM 1394 CG1 ILE A 85 1.267 2.790 -3.210 1.00 0.31 C ATOM 1395 CG2 ILE A 85 1.170 0.286 -3.578 1.00 0.32 C ATOM 1396 CD1 ILE A 85 2.571 2.881 -4.008 1.00 0.61 C ATOM 0 H ILE A 85 0.731 2.806 -0.501 1.00 0.23 H new ATOM 0 HA ILE A 85 -1.007 1.558 -2.457 1.00 0.27 H new ATOM 0 HB ILE A 85 1.987 1.278 -1.855 1.00 0.29 H new ATOM 0 HG12 ILE A 85 0.416 2.953 -3.872 1.00 0.31 H new ATOM 0 HG13 ILE A 85 1.240 3.576 -2.456 1.00 0.31 H new ATOM 0 HG21 ILE A 85 2.112 0.318 -4.125 1.00 0.32 H new ATOM 0 HG22 ILE A 85 1.074 -0.677 -3.076 1.00 0.32 H new ATOM 0 HG23 ILE A 85 0.342 0.416 -4.274 1.00 0.32 H new ATOM 0 HD11 ILE A 85 2.641 3.861 -4.480 1.00 0.61 H new ATOM 0 HD12 ILE A 85 3.419 2.740 -3.337 1.00 0.61 H new ATOM 0 HD13 ILE A 85 2.583 2.107 -4.776 1.00 0.61 H new ATOM 1408 N GLY A 86 0.443 -0.370 -0.196 1.00 0.30 N ATOM 1409 CA GLY A 86 0.318 -1.709 0.442 1.00 0.33 C ATOM 1410 C GLY A 86 -1.078 -1.857 1.048 1.00 0.33 C ATOM 1411 O GLY A 86 -1.628 -2.939 1.108 1.00 0.39 O ATOM 0 H GLY A 86 1.182 0.224 0.180 1.00 0.30 H new ATOM 0 HA2 GLY A 86 0.491 -2.493 -0.296 1.00 0.33 H new ATOM 0 HA3 GLY A 86 1.076 -1.827 1.216 1.00 0.33 H new ATOM 1415 N CYS A 87 -1.656 -0.778 1.502 1.00 0.29 N ATOM 1416 CA CYS A 87 -3.012 -0.862 2.108 1.00 0.30 C ATOM 1417 C CYS A 87 -4.069 -0.987 1.006 1.00 0.35 C ATOM 1418 O CYS A 87 -5.060 -1.672 1.162 1.00 0.42 O ATOM 1419 CB CYS A 87 -3.277 0.400 2.931 1.00 0.29 C ATOM 1420 SG CYS A 87 -2.209 0.402 4.392 1.00 1.29 S ATOM 0 H CYS A 87 -1.247 0.156 1.479 1.00 0.29 H new ATOM 0 HA CYS A 87 -3.065 -1.739 2.753 1.00 0.30 H new ATOM 0 HB2 CYS A 87 -3.087 1.287 2.327 1.00 0.29 H new ATOM 0 HB3 CYS A 87 -4.324 0.437 3.232 1.00 0.29 H new ATOM 0 HG CYS A 87 -1.047 0.894 4.079 1.00 1.29 H new ATOM 1426 N TYR A 88 -3.877 -0.320 -0.102 1.00 0.33 N ATOM 1427 CA TYR A 88 -4.881 -0.392 -1.203 1.00 0.40 C ATOM 1428 C TYR A 88 -5.053 -1.840 -1.671 1.00 0.43 C ATOM 1429 O TYR A 88 -6.097 -2.219 -2.164 1.00 0.52 O ATOM 1430 CB TYR A 88 -4.399 0.466 -2.375 1.00 0.46 C ATOM 1431 CG TYR A 88 -5.394 0.387 -3.507 1.00 0.48 C ATOM 1432 CD1 TYR A 88 -5.289 -0.631 -4.461 1.00 1.24 C ATOM 1433 CD2 TYR A 88 -6.421 1.334 -3.604 1.00 1.37 C ATOM 1434 CE1 TYR A 88 -6.211 -0.703 -5.513 1.00 1.28 C ATOM 1435 CE2 TYR A 88 -7.342 1.262 -4.656 1.00 1.37 C ATOM 1436 CZ TYR A 88 -7.237 0.244 -5.610 1.00 0.59 C ATOM 1437 OH TYR A 88 -8.145 0.173 -6.647 1.00 0.66 O ATOM 0 H TYR A 88 -3.068 0.271 -0.291 1.00 0.33 H new ATOM 0 HA TYR A 88 -5.840 -0.023 -0.838 1.00 0.40 H new ATOM 0 HB2 TYR A 88 -4.279 1.501 -2.055 1.00 0.46 H new ATOM 0 HB3 TYR A 88 -3.422 0.121 -2.713 1.00 0.46 H new ATOM 0 HD1 TYR A 88 -4.497 -1.361 -4.386 1.00 1.24 H new ATOM 0 HD2 TYR A 88 -6.503 2.120 -2.867 1.00 1.37 H new ATOM 0 HE1 TYR A 88 -6.130 -1.489 -6.249 1.00 1.28 H new ATOM 0 HE2 TYR A 88 -8.134 1.993 -4.731 1.00 1.37 H new ATOM 0 HH TYR A 88 -8.792 0.904 -6.566 1.00 0.66 H new ATOM 1447 N LYS A 89 -4.039 -2.651 -1.531 1.00 0.43 N ATOM 1448 CA LYS A 89 -4.157 -4.071 -1.984 1.00 0.51 C ATOM 1449 C LYS A 89 -4.939 -4.886 -0.943 1.00 0.36 C ATOM 1450 O LYS A 89 -5.577 -5.869 -1.265 1.00 0.37 O ATOM 1451 CB LYS A 89 -2.747 -4.663 -2.186 1.00 0.70 C ATOM 1452 CG LYS A 89 -2.743 -5.608 -3.395 1.00 1.00 C ATOM 1453 CD LYS A 89 -1.396 -6.328 -3.485 1.00 1.24 C ATOM 1454 CE LYS A 89 -1.243 -6.954 -4.874 1.00 1.56 C ATOM 1455 NZ LYS A 89 -1.081 -5.875 -5.889 1.00 2.05 N ATOM 0 H LYS A 89 -3.139 -2.396 -1.125 1.00 0.43 H new ATOM 0 HA LYS A 89 -4.696 -4.110 -2.931 1.00 0.51 H new ATOM 0 HB2 LYS A 89 -2.025 -3.861 -2.339 1.00 0.70 H new ATOM 0 HB3 LYS A 89 -2.439 -5.203 -1.291 1.00 0.70 H new ATOM 0 HG2 LYS A 89 -3.549 -6.336 -3.302 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -2.926 -5.044 -4.310 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -0.583 -5.626 -3.299 1.00 1.24 H new ATOM 0 HD3 LYS A 89 -1.332 -7.100 -2.718 1.00 1.24 H new ATOM 0 HE2 LYS A 89 -0.379 -7.618 -4.892 1.00 1.56 H new ATOM 0 HE3 LYS A 89 -2.117 -7.561 -5.109 1.00 1.56 H new ATOM 0 HZ1 LYS A 89 -0.528 -6.235 -6.693 1.00 2.05 H new ATOM 0 HZ2 LYS A 89 -2.017 -5.568 -6.222 1.00 2.05 H new ATOM 0 HZ3 LYS A 89 -0.584 -5.068 -5.461 1.00 2.05 H new ATOM 1469 N LEU A 90 -4.919 -4.470 0.294 1.00 0.32 N ATOM 1470 CA LEU A 90 -5.687 -5.202 1.347 1.00 0.47 C ATOM 1471 C LEU A 90 -7.035 -4.509 1.509 1.00 0.56 C ATOM 1472 O LEU A 90 -7.730 -4.695 2.486 1.00 0.89 O ATOM 1473 CB LEU A 90 -4.941 -5.125 2.687 1.00 0.55 C ATOM 1474 CG LEU A 90 -3.529 -5.707 2.555 1.00 0.57 C ATOM 1475 CD1 LEU A 90 -2.766 -5.474 3.863 1.00 0.71 C ATOM 1476 CD2 LEU A 90 -3.606 -7.212 2.267 1.00 0.56 C ATOM 0 H LEU A 90 -4.404 -3.654 0.623 1.00 0.32 H new ATOM 0 HA LEU A 90 -5.808 -6.246 1.059 1.00 0.47 H new ATOM 0 HB2 LEU A 90 -4.883 -4.088 3.018 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -5.495 -5.672 3.450 1.00 0.55 H new ATOM 0 HG LEU A 90 -3.011 -5.215 1.732 1.00 0.57 H new ATOM 0 HD11 LEU A 90 -1.761 -5.886 3.776 1.00 0.71 H new ATOM 0 HD12 LEU A 90 -2.704 -4.404 4.062 1.00 0.71 H new ATOM 0 HD13 LEU A 90 -3.290 -5.966 4.682 1.00 0.71 H new ATOM 0 HD21 LEU A 90 -2.598 -7.617 2.175 1.00 0.56 H new ATOM 0 HD22 LEU A 90 -4.125 -7.713 3.084 1.00 0.56 H new ATOM 0 HD23 LEU A 90 -4.150 -7.377 1.337 1.00 0.56 H new ATOM 1488 N GLY A 91 -7.392 -3.681 0.570 1.00 0.56 N ATOM 1489 CA GLY A 91 -8.663 -2.919 0.675 1.00 0.91 C ATOM 1490 C GLY A 91 -8.888 -2.377 2.078 1.00 0.69 C ATOM 1491 O GLY A 91 -10.012 -2.143 2.481 1.00 0.69 O ATOM 0 H GLY A 91 -6.851 -3.498 -0.275 1.00 0.56 H new ATOM 0 HA2 GLY A 91 -8.650 -2.092 -0.035 1.00 0.91 H new ATOM 0 HA3 GLY A 91 -9.497 -3.564 0.398 1.00 0.91 H new ATOM 1495 N GLU A 92 -7.846 -2.092 2.806 1.00 0.54 N ATOM 1496 CA GLU A 92 -8.026 -1.463 4.144 1.00 0.42 C ATOM 1497 C GLU A 92 -8.006 0.051 3.902 1.00 0.34 C ATOM 1498 O GLU A 92 -7.316 0.794 4.572 1.00 0.39 O ATOM 1499 CB GLU A 92 -6.846 -1.843 5.049 1.00 0.44 C ATOM 1500 CG GLU A 92 -6.878 -3.340 5.364 1.00 0.55 C ATOM 1501 CD GLU A 92 -8.162 -3.682 6.119 1.00 1.42 C ATOM 1502 OE1 GLU A 92 -8.183 -3.498 7.325 1.00 2.18 O ATOM 1503 OE2 GLU A 92 -9.104 -4.118 5.478 1.00 2.06 O ATOM 0 H GLU A 92 -6.879 -2.267 2.534 1.00 0.54 H new ATOM 0 HA GLU A 92 -8.950 -1.788 4.622 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -5.906 -1.588 4.559 1.00 0.44 H new ATOM 0 HB3 GLU A 92 -6.889 -1.269 5.975 1.00 0.44 H new ATOM 0 HG2 GLU A 92 -6.823 -3.917 4.441 1.00 0.55 H new ATOM 0 HG3 GLU A 92 -6.009 -3.614 5.963 1.00 0.55 H new ATOM 1510 N TYR A 93 -8.713 0.496 2.891 1.00 0.33 N ATOM 1511 CA TYR A 93 -8.694 1.945 2.526 1.00 0.31 C ATOM 1512 C TYR A 93 -8.881 2.854 3.743 1.00 0.25 C ATOM 1513 O TYR A 93 -8.562 4.025 3.675 1.00 0.27 O ATOM 1514 CB TYR A 93 -9.788 2.266 1.498 1.00 0.41 C ATOM 1515 CG TYR A 93 -9.901 1.170 0.463 1.00 0.53 C ATOM 1516 CD1 TYR A 93 -8.949 1.069 -0.557 1.00 1.42 C ATOM 1517 CD2 TYR A 93 -10.976 0.270 0.508 1.00 1.28 C ATOM 1518 CE1 TYR A 93 -9.069 0.071 -1.532 1.00 1.57 C ATOM 1519 CE2 TYR A 93 -11.094 -0.730 -0.465 1.00 1.35 C ATOM 1520 CZ TYR A 93 -10.142 -0.828 -1.487 1.00 0.95 C ATOM 1521 OH TYR A 93 -10.255 -1.816 -2.444 1.00 1.19 O ATOM 0 H TYR A 93 -9.306 -0.087 2.300 1.00 0.33 H new ATOM 0 HA TYR A 93 -7.711 2.138 2.097 1.00 0.31 H new ATOM 0 HB2 TYR A 93 -10.744 2.390 2.007 1.00 0.41 H new ATOM 0 HB3 TYR A 93 -9.563 3.213 1.007 1.00 0.41 H new ATOM 0 HD1 TYR A 93 -8.121 1.761 -0.593 1.00 1.42 H new ATOM 0 HD2 TYR A 93 -11.713 0.348 1.294 1.00 1.28 H new ATOM 0 HE1 TYR A 93 -8.334 -0.006 -2.319 1.00 1.57 H new ATOM 0 HE2 TYR A 93 -11.919 -1.426 -0.427 1.00 1.35 H new ATOM 0 HH TYR A 93 -11.055 -2.354 -2.266 1.00 1.19 H new ATOM 1531 N SER A 94 -9.359 2.378 4.859 1.00 0.24 N ATOM 1532 CA SER A 94 -9.504 3.295 6.023 1.00 0.28 C ATOM 1533 C SER A 94 -8.118 3.746 6.472 1.00 0.29 C ATOM 1534 O SER A 94 -7.906 4.892 6.814 1.00 0.39 O ATOM 1535 CB SER A 94 -10.200 2.552 7.163 1.00 0.30 C ATOM 1536 OG SER A 94 -9.444 1.396 7.502 1.00 1.12 O ATOM 0 H SER A 94 -9.650 1.413 5.014 1.00 0.24 H new ATOM 0 HA SER A 94 -10.098 4.165 5.744 1.00 0.28 H new ATOM 0 HB2 SER A 94 -10.298 3.204 8.031 1.00 0.30 H new ATOM 0 HB3 SER A 94 -11.208 2.266 6.864 1.00 0.30 H new ATOM 0 HG SER A 94 -8.699 1.652 8.085 1.00 1.12 H new ATOM 1542 N MET A 95 -7.170 2.853 6.462 1.00 0.27 N ATOM 1543 CA MET A 95 -5.792 3.225 6.873 1.00 0.36 C ATOM 1544 C MET A 95 -5.130 4.003 5.736 1.00 0.26 C ATOM 1545 O MET A 95 -4.475 5.004 5.949 1.00 0.26 O ATOM 1546 CB MET A 95 -4.989 1.954 7.163 1.00 0.48 C ATOM 1547 CG MET A 95 -5.866 0.955 7.914 1.00 0.81 C ATOM 1548 SD MET A 95 -6.547 1.737 9.397 1.00 1.25 S ATOM 1549 CE MET A 95 -4.974 2.036 10.236 1.00 0.83 C ATOM 0 H MET A 95 -7.292 1.879 6.186 1.00 0.27 H new ATOM 0 HA MET A 95 -5.824 3.842 7.771 1.00 0.36 H new ATOM 0 HB2 MET A 95 -4.636 1.514 6.230 1.00 0.48 H new ATOM 0 HB3 MET A 95 -4.107 2.196 7.755 1.00 0.48 H new ATOM 0 HG2 MET A 95 -6.674 0.609 7.269 1.00 0.81 H new ATOM 0 HG3 MET A 95 -5.281 0.078 8.190 1.00 0.81 H new ATOM 0 HE1 MET A 95 -5.143 2.111 11.310 1.00 0.83 H new ATOM 0 HE2 MET A 95 -4.291 1.211 10.033 1.00 0.83 H new ATOM 0 HE3 MET A 95 -4.538 2.966 9.871 1.00 0.83 H new ATOM 1559 N ALA A 96 -5.309 3.551 4.525 1.00 0.23 N ATOM 1560 CA ALA A 96 -4.705 4.259 3.366 1.00 0.20 C ATOM 1561 C ALA A 96 -5.215 5.703 3.344 1.00 0.18 C ATOM 1562 O ALA A 96 -4.460 6.639 3.170 1.00 0.19 O ATOM 1563 CB ALA A 96 -5.105 3.542 2.072 1.00 0.23 C ATOM 0 H ALA A 96 -5.850 2.719 4.290 1.00 0.23 H new ATOM 0 HA ALA A 96 -3.618 4.260 3.452 1.00 0.20 H new ATOM 0 HB1 ALA A 96 -4.664 4.058 1.219 1.00 0.23 H new ATOM 0 HB2 ALA A 96 -4.745 2.514 2.100 1.00 0.23 H new ATOM 0 HB3 ALA A 96 -6.191 3.544 1.976 1.00 0.23 H new ATOM 1569 N LYS A 97 -6.499 5.886 3.511 1.00 0.19 N ATOM 1570 CA LYS A 97 -7.072 7.261 3.494 1.00 0.21 C ATOM 1571 C LYS A 97 -6.380 8.129 4.543 1.00 0.21 C ATOM 1572 O LYS A 97 -5.972 9.239 4.266 1.00 0.22 O ATOM 1573 CB LYS A 97 -8.577 7.192 3.803 1.00 0.29 C ATOM 1574 CG LYS A 97 -9.120 8.590 4.154 1.00 0.44 C ATOM 1575 CD LYS A 97 -10.650 8.564 4.181 1.00 0.78 C ATOM 1576 CE LYS A 97 -11.135 7.696 5.347 1.00 1.07 C ATOM 1577 NZ LYS A 97 -12.571 7.987 5.615 1.00 2.10 N ATOM 0 H LYS A 97 -7.177 5.138 3.659 1.00 0.19 H new ATOM 0 HA LYS A 97 -6.918 7.699 2.508 1.00 0.21 H new ATOM 0 HB2 LYS A 97 -9.113 6.793 2.942 1.00 0.29 H new ATOM 0 HB3 LYS A 97 -8.753 6.508 4.633 1.00 0.29 H new ATOM 0 HG2 LYS A 97 -8.736 8.906 5.124 1.00 0.44 H new ATOM 0 HG3 LYS A 97 -8.773 9.319 3.421 1.00 0.44 H new ATOM 0 HD2 LYS A 97 -11.038 9.577 4.284 1.00 0.78 H new ATOM 0 HD3 LYS A 97 -11.033 8.171 3.239 1.00 0.78 H new ATOM 0 HE2 LYS A 97 -11.005 6.641 5.108 1.00 1.07 H new ATOM 0 HE3 LYS A 97 -10.539 7.897 6.237 1.00 1.07 H new ATOM 0 HZ1 LYS A 97 -12.903 7.399 6.406 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -12.682 8.992 5.860 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -13.133 7.774 4.766 1.00 2.10 H new ATOM 1591 N ARG A 98 -6.274 7.668 5.757 1.00 0.22 N ATOM 1592 CA ARG A 98 -5.642 8.504 6.813 1.00 0.25 C ATOM 1593 C ARG A 98 -4.182 8.805 6.470 1.00 0.20 C ATOM 1594 O ARG A 98 -3.700 9.895 6.706 1.00 0.21 O ATOM 1595 CB ARG A 98 -5.714 7.745 8.143 1.00 0.33 C ATOM 1596 CG ARG A 98 -7.175 7.642 8.594 1.00 1.18 C ATOM 1597 CD ARG A 98 -7.284 6.687 9.786 1.00 1.28 C ATOM 1598 NE ARG A 98 -6.424 7.179 10.899 1.00 1.90 N ATOM 1599 CZ ARG A 98 -6.578 6.703 12.105 1.00 2.29 C ATOM 1600 NH1 ARG A 98 -7.488 5.796 12.339 1.00 2.29 N ATOM 1601 NH2 ARG A 98 -5.822 7.133 13.077 1.00 3.20 N ATOM 0 H ARG A 98 -6.597 6.750 6.063 1.00 0.22 H new ATOM 0 HA ARG A 98 -6.174 9.452 6.886 1.00 0.25 H new ATOM 0 HB2 ARG A 98 -5.286 6.749 8.029 1.00 0.33 H new ATOM 0 HB3 ARG A 98 -5.124 8.261 8.901 1.00 0.33 H new ATOM 0 HG2 ARG A 98 -7.550 8.627 8.870 1.00 1.18 H new ATOM 0 HG3 ARG A 98 -7.795 7.284 7.772 1.00 1.18 H new ATOM 0 HD2 ARG A 98 -8.320 6.618 10.117 1.00 1.28 H new ATOM 0 HD3 ARG A 98 -6.976 5.684 9.491 1.00 1.28 H new ATOM 0 HE ARG A 98 -5.714 7.889 10.718 1.00 1.90 H new ATOM 0 HH11 ARG A 98 -8.079 5.459 11.579 1.00 2.29 H new ATOM 0 HH12 ARG A 98 -7.608 5.425 13.281 1.00 2.29 H new ATOM 0 HH21 ARG A 98 -5.111 7.841 12.895 1.00 3.20 H new ATOM 0 HH22 ARG A 98 -5.942 6.761 14.019 1.00 3.20 H new ATOM 1615 N TYR A 99 -3.463 7.857 5.934 1.00 0.21 N ATOM 1616 CA TYR A 99 -2.032 8.122 5.610 1.00 0.22 C ATOM 1617 C TYR A 99 -1.916 9.004 4.363 1.00 0.19 C ATOM 1618 O TYR A 99 -1.207 9.991 4.363 1.00 0.21 O ATOM 1619 CB TYR A 99 -1.289 6.799 5.365 1.00 0.27 C ATOM 1620 CG TYR A 99 -1.268 5.936 6.621 1.00 0.29 C ATOM 1621 CD1 TYR A 99 -0.857 6.468 7.858 1.00 1.17 C ATOM 1622 CD2 TYR A 99 -1.645 4.585 6.542 1.00 1.32 C ATOM 1623 CE1 TYR A 99 -0.833 5.659 8.997 1.00 1.18 C ATOM 1624 CE2 TYR A 99 -1.615 3.780 7.687 1.00 1.34 C ATOM 1625 CZ TYR A 99 -1.212 4.317 8.913 1.00 0.40 C ATOM 1626 OH TYR A 99 -1.184 3.522 10.039 1.00 0.47 O ATOM 0 H TYR A 99 -3.799 6.921 5.708 1.00 0.21 H new ATOM 0 HA TYR A 99 -1.583 8.640 6.457 1.00 0.22 H new ATOM 0 HB2 TYR A 99 -1.771 6.253 4.554 1.00 0.27 H new ATOM 0 HB3 TYR A 99 -0.267 7.007 5.046 1.00 0.27 H new ATOM 0 HD1 TYR A 99 -0.560 7.504 7.927 1.00 1.17 H new ATOM 0 HD2 TYR A 99 -1.958 4.167 5.597 1.00 1.32 H new ATOM 0 HE1 TYR A 99 -0.521 6.072 9.945 1.00 1.18 H new ATOM 0 HE2 TYR A 99 -1.904 2.741 7.623 1.00 1.34 H new ATOM 0 HH TYR A 99 -1.478 2.616 9.807 1.00 0.47 H new ATOM 1636 N VAL A 100 -2.587 8.663 3.300 1.00 0.18 N ATOM 1637 CA VAL A 100 -2.482 9.496 2.069 1.00 0.19 C ATOM 1638 C VAL A 100 -3.009 10.903 2.366 1.00 0.21 C ATOM 1639 O VAL A 100 -2.488 11.887 1.880 1.00 0.22 O ATOM 1640 CB VAL A 100 -3.285 8.848 0.928 1.00 0.19 C ATOM 1641 CG1 VAL A 100 -4.785 9.106 1.117 1.00 0.22 C ATOM 1642 CG2 VAL A 100 -2.831 9.436 -0.412 1.00 0.20 C ATOM 0 H VAL A 100 -3.199 7.850 3.229 1.00 0.18 H new ATOM 0 HA VAL A 100 -1.439 9.565 1.759 1.00 0.19 H new ATOM 0 HB VAL A 100 -3.108 7.772 0.939 1.00 0.19 H new ATOM 0 HG11 VAL A 100 -5.340 8.641 0.302 1.00 0.22 H new ATOM 0 HG12 VAL A 100 -5.111 8.681 2.066 1.00 0.22 H new ATOM 0 HG13 VAL A 100 -4.972 10.180 1.117 1.00 0.22 H new ATOM 0 HG21 VAL A 100 -3.399 8.978 -1.222 1.00 0.20 H new ATOM 0 HG22 VAL A 100 -3.001 10.513 -0.413 1.00 0.20 H new ATOM 0 HG23 VAL A 100 -1.769 9.236 -0.556 1.00 0.20 H new ATOM 1652 N ASP A 101 -4.034 11.005 3.166 1.00 0.23 N ATOM 1653 CA ASP A 101 -4.582 12.348 3.496 1.00 0.27 C ATOM 1654 C ASP A 101 -3.491 13.171 4.180 1.00 0.26 C ATOM 1655 O ASP A 101 -3.253 14.311 3.839 1.00 0.29 O ATOM 1656 CB ASP A 101 -5.779 12.198 4.438 1.00 0.30 C ATOM 1657 CG ASP A 101 -6.383 13.575 4.721 1.00 0.97 C ATOM 1658 OD1 ASP A 101 -5.900 14.238 5.624 1.00 1.79 O ATOM 1659 OD2 ASP A 101 -7.319 13.943 4.031 1.00 1.60 O ATOM 0 H ASP A 101 -4.514 10.219 3.604 1.00 0.23 H new ATOM 0 HA ASP A 101 -4.907 12.849 2.584 1.00 0.27 H new ATOM 0 HB2 ASP A 101 -6.528 11.546 3.990 1.00 0.30 H new ATOM 0 HB3 ASP A 101 -5.465 11.729 5.370 1.00 0.30 H new ATOM 1664 N THR A 102 -2.830 12.597 5.150 1.00 0.25 N ATOM 1665 CA THR A 102 -1.752 13.334 5.871 1.00 0.26 C ATOM 1666 C THR A 102 -0.668 13.776 4.882 1.00 0.26 C ATOM 1667 O THR A 102 -0.139 14.864 4.968 1.00 0.27 O ATOM 1668 CB THR A 102 -1.137 12.411 6.925 1.00 0.27 C ATOM 1669 OG1 THR A 102 -2.156 11.956 7.804 1.00 0.32 O ATOM 1670 CG2 THR A 102 -0.077 13.172 7.721 1.00 0.29 C ATOM 0 H THR A 102 -2.992 11.644 5.475 1.00 0.25 H new ATOM 0 HA THR A 102 -2.174 14.217 6.351 1.00 0.26 H new ATOM 0 HB THR A 102 -0.672 11.557 6.432 1.00 0.27 H new ATOM 0 HG1 THR A 102 -2.634 11.207 7.391 1.00 0.32 H new ATOM 0 HG21 THR A 102 0.359 12.512 8.471 1.00 0.29 H new ATOM 0 HG22 THR A 102 0.705 13.520 7.046 1.00 0.29 H new ATOM 0 HG23 THR A 102 -0.538 14.028 8.215 1.00 0.29 H new ATOM 1678 N LEU A 103 -0.297 12.927 3.971 1.00 0.25 N ATOM 1679 CA LEU A 103 0.777 13.305 3.013 1.00 0.27 C ATOM 1680 C LEU A 103 0.268 14.366 2.030 1.00 0.29 C ATOM 1681 O LEU A 103 1.036 15.167 1.532 1.00 0.31 O ATOM 1682 CB LEU A 103 1.234 12.066 2.231 1.00 0.29 C ATOM 1683 CG LEU A 103 2.561 12.359 1.492 1.00 0.34 C ATOM 1684 CD1 LEU A 103 3.756 12.082 2.415 1.00 0.36 C ATOM 1685 CD2 LEU A 103 2.675 11.458 0.256 1.00 0.41 C ATOM 0 H LEU A 103 -0.687 11.993 3.847 1.00 0.25 H new ATOM 0 HA LEU A 103 1.616 13.715 3.575 1.00 0.27 H new ATOM 0 HB2 LEU A 103 1.367 11.226 2.912 1.00 0.29 H new ATOM 0 HB3 LEU A 103 0.466 11.776 1.514 1.00 0.29 H new ATOM 0 HG LEU A 103 2.567 13.407 1.193 1.00 0.34 H new ATOM 0 HD11 LEU A 103 4.684 12.292 1.882 1.00 0.36 H new ATOM 0 HD12 LEU A 103 3.691 12.720 3.296 1.00 0.36 H new ATOM 0 HD13 LEU A 103 3.743 11.036 2.723 1.00 0.36 H new ATOM 0 HD21 LEU A 103 3.611 11.667 -0.262 1.00 0.41 H new ATOM 0 HD22 LEU A 103 2.657 10.413 0.565 1.00 0.41 H new ATOM 0 HD23 LEU A 103 1.838 11.653 -0.415 1.00 0.41 H new ATOM 1697 N PHE A 104 -1.001 14.372 1.708 1.00 0.29 N ATOM 1698 CA PHE A 104 -1.506 15.373 0.721 1.00 0.32 C ATOM 1699 C PHE A 104 -1.597 16.775 1.342 1.00 0.37 C ATOM 1700 O PHE A 104 -1.277 17.758 0.704 1.00 0.41 O ATOM 1701 CB PHE A 104 -2.892 14.945 0.229 1.00 0.33 C ATOM 1702 CG PHE A 104 -3.371 15.901 -0.837 1.00 0.40 C ATOM 1703 CD1 PHE A 104 -2.844 15.823 -2.131 1.00 1.23 C ATOM 1704 CD2 PHE A 104 -4.341 16.867 -0.534 1.00 1.17 C ATOM 1705 CE1 PHE A 104 -3.285 16.707 -3.122 1.00 1.29 C ATOM 1706 CE2 PHE A 104 -4.782 17.751 -1.526 1.00 1.19 C ATOM 1707 CZ PHE A 104 -4.254 17.672 -2.819 1.00 0.60 C ATOM 0 H PHE A 104 -1.703 13.733 2.082 1.00 0.29 H new ATOM 0 HA PHE A 104 -0.805 15.414 -0.112 1.00 0.32 H new ATOM 0 HB2 PHE A 104 -2.850 13.932 -0.170 1.00 0.33 H new ATOM 0 HB3 PHE A 104 -3.596 14.931 1.061 1.00 0.33 H new ATOM 0 HD1 PHE A 104 -2.096 15.080 -2.365 1.00 1.23 H new ATOM 0 HD2 PHE A 104 -4.748 16.929 0.464 1.00 1.17 H new ATOM 0 HE1 PHE A 104 -2.878 16.645 -4.121 1.00 1.29 H new ATOM 0 HE2 PHE A 104 -5.530 18.494 -1.293 1.00 1.19 H new ATOM 0 HZ PHE A 104 -4.593 18.355 -3.584 1.00 0.60 H new ATOM 1717 N GLU A 105 -2.043 16.890 2.567 1.00 0.42 N ATOM 1718 CA GLU A 105 -2.156 18.250 3.178 1.00 0.52 C ATOM 1719 C GLU A 105 -0.825 18.985 3.016 1.00 0.56 C ATOM 1720 O GLU A 105 -0.799 20.170 2.747 1.00 0.61 O ATOM 1721 CB GLU A 105 -2.522 18.138 4.666 1.00 0.58 C ATOM 1722 CG GLU A 105 -1.753 16.987 5.305 1.00 1.20 C ATOM 1723 CD GLU A 105 -2.039 16.948 6.808 1.00 1.75 C ATOM 1724 OE1 GLU A 105 -3.182 17.165 7.178 1.00 2.47 O ATOM 1725 OE2 GLU A 105 -1.113 16.701 7.562 1.00 2.31 O ATOM 0 H GLU A 105 -2.330 16.114 3.164 1.00 0.42 H new ATOM 0 HA GLU A 105 -2.944 18.809 2.673 1.00 0.52 H new ATOM 0 HB2 GLU A 105 -2.288 19.071 5.178 1.00 0.58 H new ATOM 0 HB3 GLU A 105 -3.594 17.975 4.774 1.00 0.58 H new ATOM 0 HG2 GLU A 105 -2.044 16.043 4.845 1.00 1.20 H new ATOM 0 HG3 GLU A 105 -0.684 17.110 5.131 1.00 1.20 H new ATOM 1838 N GLN A 112 1.036 12.740 -8.518 1.00 0.54 N ATOM 1839 CA GLN A 112 0.979 11.270 -8.291 1.00 0.49 C ATOM 1840 C GLN A 112 0.236 10.998 -6.984 1.00 0.39 C ATOM 1841 O GLN A 112 -0.399 9.976 -6.816 1.00 0.37 O ATOM 1842 CB GLN A 112 2.406 10.723 -8.194 1.00 0.54 C ATOM 1843 CG GLN A 112 3.139 10.966 -9.515 1.00 1.05 C ATOM 1844 CD GLN A 112 2.552 10.061 -10.599 1.00 1.82 C ATOM 1845 OE1 GLN A 112 2.390 8.875 -10.393 1.00 2.54 O ATOM 1846 NE2 GLN A 112 2.226 10.574 -11.753 1.00 2.56 N ATOM 0 HA GLN A 112 0.458 10.783 -9.116 1.00 0.49 H new ATOM 0 HB2 GLN A 112 2.938 11.209 -7.376 1.00 0.54 H new ATOM 0 HB3 GLN A 112 2.383 9.657 -7.970 1.00 0.54 H new ATOM 0 HG2 GLN A 112 3.044 12.011 -9.809 1.00 1.05 H new ATOM 0 HG3 GLN A 112 4.203 10.764 -9.395 1.00 1.05 H new ATOM 0 HE21 GLN A 112 2.362 11.570 -11.925 1.00 2.56 H new ATOM 0 HE22 GLN A 112 1.835 9.979 -12.483 1.00 2.56 H new ATOM 1855 N VAL A 113 0.310 11.914 -6.061 1.00 0.37 N ATOM 1856 CA VAL A 113 -0.393 11.728 -4.761 1.00 0.32 C ATOM 1857 C VAL A 113 -1.885 11.965 -4.985 1.00 0.32 C ATOM 1858 O VAL A 113 -2.721 11.176 -4.592 1.00 0.30 O ATOM 1859 CB VAL A 113 0.141 12.736 -3.739 1.00 0.35 C ATOM 1860 CG1 VAL A 113 -0.506 12.477 -2.377 1.00 0.41 C ATOM 1861 CG2 VAL A 113 1.660 12.585 -3.615 1.00 0.40 C ATOM 0 H VAL A 113 0.829 12.787 -6.151 1.00 0.37 H new ATOM 0 HA VAL A 113 -0.225 10.720 -4.383 1.00 0.32 H new ATOM 0 HB VAL A 113 -0.099 13.746 -4.071 1.00 0.35 H new ATOM 0 HG11 VAL A 113 -0.125 13.195 -1.651 1.00 0.41 H new ATOM 0 HG12 VAL A 113 -1.587 12.585 -2.461 1.00 0.41 H new ATOM 0 HG13 VAL A 113 -0.267 11.466 -2.047 1.00 0.41 H new ATOM 0 HG21 VAL A 113 2.039 13.303 -2.887 1.00 0.40 H new ATOM 0 HG22 VAL A 113 1.899 11.574 -3.286 1.00 0.40 H new ATOM 0 HG23 VAL A 113 2.124 12.771 -4.584 1.00 0.40 H new ATOM 1871 N GLY A 114 -2.216 13.052 -5.623 1.00 0.37 N ATOM 1872 CA GLY A 114 -3.652 13.349 -5.887 1.00 0.40 C ATOM 1873 C GLY A 114 -4.259 12.188 -6.675 1.00 0.38 C ATOM 1874 O GLY A 114 -5.413 11.845 -6.510 1.00 0.38 O ATOM 0 H GLY A 114 -1.556 13.747 -5.973 1.00 0.37 H new ATOM 0 HA2 GLY A 114 -4.187 13.488 -4.948 1.00 0.40 H new ATOM 0 HA3 GLY A 114 -3.748 14.278 -6.449 1.00 0.40 H new ATOM 1878 N ALA A 115 -3.483 11.577 -7.528 1.00 0.38 N ATOM 1879 CA ALA A 115 -4.002 10.433 -8.330 1.00 0.38 C ATOM 1880 C ALA A 115 -4.059 9.179 -7.449 1.00 0.33 C ATOM 1881 O ALA A 115 -5.065 8.490 -7.401 1.00 0.34 O ATOM 1882 CB ALA A 115 -3.082 10.195 -9.528 1.00 0.43 C ATOM 0 H ALA A 115 -2.509 11.822 -7.704 1.00 0.38 H new ATOM 0 HA ALA A 115 -5.005 10.659 -8.692 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -3.460 9.359 -10.116 1.00 0.43 H new ATOM 0 HB2 ALA A 115 -3.053 11.091 -10.148 1.00 0.43 H new ATOM 0 HB3 ALA A 115 -2.077 9.966 -9.175 1.00 0.43 H new ATOM 1888 N LEU A 116 -3.013 8.877 -6.735 1.00 0.31 N ATOM 1889 CA LEU A 116 -3.061 7.674 -5.863 1.00 0.29 C ATOM 1890 C LEU A 116 -4.249 7.828 -4.913 1.00 0.26 C ATOM 1891 O LEU A 116 -5.029 6.915 -4.719 1.00 0.25 O ATOM 1892 CB LEU A 116 -1.757 7.565 -5.064 1.00 0.32 C ATOM 1893 CG LEU A 116 -1.804 6.356 -4.117 1.00 0.27 C ATOM 1894 CD1 LEU A 116 -2.004 5.058 -4.917 1.00 0.49 C ATOM 1895 CD2 LEU A 116 -0.485 6.283 -3.340 1.00 0.68 C ATOM 0 H LEU A 116 -2.139 9.402 -6.717 1.00 0.31 H new ATOM 0 HA LEU A 116 -3.175 6.770 -6.462 1.00 0.29 H new ATOM 0 HB2 LEU A 116 -0.913 7.467 -5.747 1.00 0.32 H new ATOM 0 HB3 LEU A 116 -1.598 8.478 -4.490 1.00 0.32 H new ATOM 0 HG LEU A 116 -2.639 6.471 -3.426 1.00 0.27 H new ATOM 0 HD11 LEU A 116 -2.035 4.210 -4.233 1.00 0.49 H new ATOM 0 HD12 LEU A 116 -2.941 5.112 -5.470 1.00 0.49 H new ATOM 0 HD13 LEU A 116 -1.177 4.930 -5.616 1.00 0.49 H new ATOM 0 HD21 LEU A 116 -0.508 5.428 -2.664 1.00 0.68 H new ATOM 0 HD22 LEU A 116 0.344 6.171 -4.039 1.00 0.68 H new ATOM 0 HD23 LEU A 116 -0.352 7.198 -2.763 1.00 0.68 H new ATOM 1907 N LYS A 117 -4.389 8.980 -4.317 1.00 0.27 N ATOM 1908 CA LYS A 117 -5.522 9.203 -3.379 1.00 0.28 C ATOM 1909 C LYS A 117 -6.843 9.011 -4.127 1.00 0.28 C ATOM 1910 O LYS A 117 -7.840 8.616 -3.555 1.00 0.29 O ATOM 1911 CB LYS A 117 -5.448 10.629 -2.829 1.00 0.33 C ATOM 1912 CG LYS A 117 -6.565 10.850 -1.803 1.00 0.78 C ATOM 1913 CD LYS A 117 -6.344 12.177 -1.062 1.00 0.86 C ATOM 1914 CE LYS A 117 -6.667 13.357 -1.986 1.00 1.44 C ATOM 1915 NZ LYS A 117 -6.672 14.620 -1.194 1.00 2.16 N ATOM 0 H LYS A 117 -3.765 9.778 -4.440 1.00 0.27 H new ATOM 0 HA LYS A 117 -5.464 8.491 -2.555 1.00 0.28 H new ATOM 0 HB2 LYS A 117 -4.477 10.799 -2.365 1.00 0.33 H new ATOM 0 HB3 LYS A 117 -5.542 11.348 -3.643 1.00 0.33 H new ATOM 0 HG2 LYS A 117 -7.533 10.861 -2.304 1.00 0.78 H new ATOM 0 HG3 LYS A 117 -6.584 10.025 -1.091 1.00 0.78 H new ATOM 0 HD2 LYS A 117 -6.976 12.216 -0.175 1.00 0.86 H new ATOM 0 HD3 LYS A 117 -5.311 12.244 -0.721 1.00 0.86 H new ATOM 0 HE2 LYS A 117 -5.929 13.419 -2.786 1.00 1.44 H new ATOM 0 HE3 LYS A 117 -7.638 13.208 -2.459 1.00 1.44 H new ATOM 0 HZ1 LYS A 117 -7.314 15.306 -1.639 1.00 2.16 H new ATOM 0 HZ2 LYS A 117 -6.995 14.421 -0.226 1.00 2.16 H new ATOM 0 HZ3 LYS A 117 -5.710 15.015 -1.164 1.00 2.16 H new ATOM 1929 N SER A 118 -6.863 9.301 -5.402 1.00 0.29 N ATOM 1930 CA SER A 118 -8.122 9.149 -6.183 1.00 0.31 C ATOM 1931 C SER A 118 -8.588 7.693 -6.155 1.00 0.29 C ATOM 1932 O SER A 118 -9.773 7.422 -6.163 1.00 0.30 O ATOM 1933 CB SER A 118 -7.881 9.576 -7.632 1.00 0.34 C ATOM 1934 OG SER A 118 -9.132 9.732 -8.289 1.00 1.35 O ATOM 0 H SER A 118 -6.060 9.637 -5.935 1.00 0.29 H new ATOM 0 HA SER A 118 -8.892 9.779 -5.737 1.00 0.31 H new ATOM 0 HB2 SER A 118 -7.323 10.512 -7.660 1.00 0.34 H new ATOM 0 HB3 SER A 118 -7.277 8.830 -8.148 1.00 0.34 H new ATOM 0 HG SER A 118 -8.982 10.007 -9.218 1.00 1.35 H new ATOM 1940 N MET A 119 -7.687 6.745 -6.090 1.00 0.26 N ATOM 1941 CA MET A 119 -8.130 5.318 -6.032 1.00 0.25 C ATOM 1942 C MET A 119 -8.682 5.047 -4.628 1.00 0.23 C ATOM 1943 O MET A 119 -9.724 4.448 -4.452 1.00 0.24 O ATOM 1944 CB MET A 119 -6.934 4.383 -6.313 1.00 0.26 C ATOM 1945 CG MET A 119 -5.993 4.997 -7.379 1.00 0.61 C ATOM 1946 SD MET A 119 -5.459 3.716 -8.543 1.00 1.03 S ATOM 1947 CE MET A 119 -4.179 4.695 -9.363 1.00 0.69 C ATOM 0 H MET A 119 -6.678 6.893 -6.075 1.00 0.26 H new ATOM 0 HA MET A 119 -8.898 5.132 -6.783 1.00 0.25 H new ATOM 0 HB2 MET A 119 -6.380 4.207 -5.391 1.00 0.26 H new ATOM 0 HB3 MET A 119 -7.297 3.414 -6.657 1.00 0.26 H new ATOM 0 HG2 MET A 119 -6.508 5.795 -7.914 1.00 0.61 H new ATOM 0 HG3 MET A 119 -5.125 5.446 -6.895 1.00 0.61 H new ATOM 0 HE1 MET A 119 -3.702 4.095 -10.138 1.00 0.69 H new ATOM 0 HE2 MET A 119 -4.630 5.579 -9.815 1.00 0.69 H new ATOM 0 HE3 MET A 119 -3.432 5.003 -8.631 1.00 0.69 H new ATOM 1957 N VAL A 120 -7.982 5.520 -3.638 1.00 0.21 N ATOM 1958 CA VAL A 120 -8.421 5.357 -2.223 1.00 0.20 C ATOM 1959 C VAL A 120 -9.760 6.062 -1.996 1.00 0.22 C ATOM 1960 O VAL A 120 -10.694 5.474 -1.487 1.00 0.22 O ATOM 1961 CB VAL A 120 -7.370 5.997 -1.316 1.00 0.20 C ATOM 1962 CG1 VAL A 120 -7.697 5.672 0.143 1.00 0.20 C ATOM 1963 CG2 VAL A 120 -5.988 5.436 -1.667 1.00 0.23 C ATOM 0 H VAL A 120 -7.103 6.025 -3.751 1.00 0.21 H new ATOM 0 HA VAL A 120 -8.536 4.296 -2.000 1.00 0.20 H new ATOM 0 HB VAL A 120 -7.371 7.078 -1.458 1.00 0.20 H new ATOM 0 HG11 VAL A 120 -6.950 6.127 0.793 1.00 0.20 H new ATOM 0 HG12 VAL A 120 -8.682 6.066 0.392 1.00 0.20 H new ATOM 0 HG13 VAL A 120 -7.692 4.591 0.285 1.00 0.20 H new ATOM 0 HG21 VAL A 120 -5.236 5.891 -1.022 1.00 0.23 H new ATOM 0 HG22 VAL A 120 -5.986 4.356 -1.521 1.00 0.23 H new ATOM 0 HG23 VAL A 120 -5.757 5.662 -2.708 1.00 0.23 H new ATOM 1973 N GLU A 121 -9.869 7.310 -2.348 1.00 0.25 N ATOM 1974 CA GLU A 121 -11.157 8.027 -2.123 1.00 0.29 C ATOM 1975 C GLU A 121 -12.241 7.451 -3.037 1.00 0.28 C ATOM 1976 O GLU A 121 -13.402 7.404 -2.681 1.00 0.31 O ATOM 1977 CB GLU A 121 -10.972 9.518 -2.421 1.00 0.35 C ATOM 1978 CG GLU A 121 -10.229 10.184 -1.260 1.00 1.07 C ATOM 1979 CD GLU A 121 -10.055 11.674 -1.554 1.00 1.63 C ATOM 1980 OE1 GLU A 121 -9.859 12.011 -2.710 1.00 2.20 O ATOM 1981 OE2 GLU A 121 -10.122 12.454 -0.619 1.00 2.27 O ATOM 0 H GLU A 121 -9.129 7.864 -2.779 1.00 0.25 H new ATOM 0 HA GLU A 121 -11.461 7.899 -1.084 1.00 0.29 H new ATOM 0 HB2 GLU A 121 -10.412 9.648 -3.347 1.00 0.35 H new ATOM 0 HB3 GLU A 121 -11.942 9.994 -2.566 1.00 0.35 H new ATOM 0 HG2 GLU A 121 -10.785 10.048 -0.333 1.00 1.07 H new ATOM 0 HG3 GLU A 121 -9.256 9.714 -1.120 1.00 1.07 H new ATOM 1988 N ASP A 122 -11.878 7.012 -4.208 1.00 0.28 N ATOM 1989 CA ASP A 122 -12.898 6.444 -5.129 1.00 0.30 C ATOM 1990 C ASP A 122 -13.363 5.092 -4.596 1.00 0.28 C ATOM 1991 O ASP A 122 -14.500 4.700 -4.772 1.00 0.31 O ATOM 1992 CB ASP A 122 -12.295 6.268 -6.524 1.00 0.34 C ATOM 1993 CG ASP A 122 -13.336 5.646 -7.458 1.00 1.16 C ATOM 1994 OD1 ASP A 122 -13.498 4.438 -7.413 1.00 1.92 O ATOM 1995 OD2 ASP A 122 -13.952 6.389 -8.205 1.00 1.89 O ATOM 0 H ASP A 122 -10.923 7.022 -4.566 1.00 0.28 H new ATOM 0 HA ASP A 122 -13.748 7.123 -5.191 1.00 0.30 H new ATOM 0 HB2 ASP A 122 -11.970 7.232 -6.915 1.00 0.34 H new ATOM 0 HB3 ASP A 122 -11.412 5.631 -6.472 1.00 0.34 H new ATOM 2000 N LYS A 123 -12.507 4.352 -3.952 1.00 0.27 N ATOM 2001 CA LYS A 123 -12.943 3.031 -3.437 1.00 0.27 C ATOM 2002 C LYS A 123 -13.760 3.225 -2.156 1.00 0.26 C ATOM 2003 O LYS A 123 -14.653 2.451 -1.869 1.00 0.28 O ATOM 2004 CB LYS A 123 -11.696 2.155 -3.149 1.00 0.27 C ATOM 2005 CG LYS A 123 -11.466 1.150 -4.290 1.00 0.93 C ATOM 2006 CD LYS A 123 -12.422 -0.042 -4.140 1.00 1.10 C ATOM 2007 CE LYS A 123 -12.451 -0.842 -5.442 1.00 1.43 C ATOM 2008 NZ LYS A 123 -11.056 -1.144 -5.871 1.00 1.95 N ATOM 0 H LYS A 123 -11.536 4.602 -3.762 1.00 0.27 H new ATOM 0 HA LYS A 123 -13.565 2.533 -4.181 1.00 0.27 H new ATOM 0 HB2 LYS A 123 -10.818 2.790 -3.034 1.00 0.27 H new ATOM 0 HB3 LYS A 123 -11.829 1.621 -2.208 1.00 0.27 H new ATOM 0 HG2 LYS A 123 -11.626 1.637 -5.252 1.00 0.93 H new ATOM 0 HG3 LYS A 123 -10.433 0.802 -4.277 1.00 0.93 H new ATOM 0 HD2 LYS A 123 -12.099 -0.679 -3.317 1.00 1.10 H new ATOM 0 HD3 LYS A 123 -13.424 0.311 -3.896 1.00 1.10 H new ATOM 0 HE2 LYS A 123 -13.008 -1.768 -5.300 1.00 1.43 H new ATOM 0 HE3 LYS A 123 -12.967 -0.276 -6.218 1.00 1.43 H new ATOM 0 HZ1 LYS A 123 -11.066 -1.923 -6.560 1.00 1.95 H new ATOM 0 HZ2 LYS A 123 -10.637 -0.299 -6.310 1.00 1.95 H new ATOM 0 HZ3 LYS A 123 -10.490 -1.421 -5.043 1.00 1.95 H new ATOM 2022 N ILE A 124 -13.460 4.224 -1.354 1.00 0.27 N ATOM 2023 CA ILE A 124 -14.240 4.382 -0.092 1.00 0.29 C ATOM 2024 C ILE A 124 -15.628 4.935 -0.441 1.00 0.35 C ATOM 2025 O ILE A 124 -16.616 4.602 0.171 1.00 0.43 O ATOM 2026 CB ILE A 124 -13.490 5.315 0.871 1.00 0.29 C ATOM 2027 CG1 ILE A 124 -12.280 4.577 1.449 1.00 0.27 C ATOM 2028 CG2 ILE A 124 -14.414 5.753 2.011 1.00 0.34 C ATOM 2029 CD1 ILE A 124 -11.398 5.559 2.225 1.00 0.30 C ATOM 0 H ILE A 124 -12.729 4.916 -1.516 1.00 0.27 H new ATOM 0 HA ILE A 124 -14.359 3.420 0.406 1.00 0.29 H new ATOM 0 HB ILE A 124 -13.159 6.199 0.326 1.00 0.29 H new ATOM 0 HG12 ILE A 124 -12.612 3.774 2.107 1.00 0.27 H new ATOM 0 HG13 ILE A 124 -11.706 4.115 0.646 1.00 0.27 H new ATOM 0 HG21 ILE A 124 -13.871 6.414 2.686 1.00 0.34 H new ATOM 0 HG22 ILE A 124 -15.274 6.282 1.600 1.00 0.34 H new ATOM 0 HG23 ILE A 124 -14.756 4.875 2.559 1.00 0.34 H new ATOM 0 HD11 ILE A 124 -10.538 5.030 2.635 1.00 0.30 H new ATOM 0 HD12 ILE A 124 -11.054 6.347 1.555 1.00 0.30 H new ATOM 0 HD13 ILE A 124 -11.974 6.001 3.038 1.00 0.30 H new ATOM 2041 N GLN A 125 -15.712 5.783 -1.429 1.00 0.35 N ATOM 2042 CA GLN A 125 -17.047 6.331 -1.796 1.00 0.40 C ATOM 2043 C GLN A 125 -17.958 5.155 -2.189 1.00 0.43 C ATOM 2044 O GLN A 125 -19.144 5.161 -1.928 1.00 0.54 O ATOM 2045 CB GLN A 125 -16.908 7.347 -2.951 1.00 0.53 C ATOM 2046 CG GLN A 125 -17.006 6.644 -4.308 1.00 1.22 C ATOM 2047 CD GLN A 125 -16.494 7.568 -5.413 1.00 1.81 C ATOM 2048 OE1 GLN A 125 -16.253 7.133 -6.522 1.00 2.27 O ATOM 2049 NE2 GLN A 125 -16.318 8.835 -5.158 1.00 2.64 N ATOM 0 H GLN A 125 -14.928 6.116 -1.990 1.00 0.35 H new ATOM 0 HA GLN A 125 -17.487 6.861 -0.951 1.00 0.40 H new ATOM 0 HB2 GLN A 125 -17.688 8.104 -2.871 1.00 0.53 H new ATOM 0 HB3 GLN A 125 -15.952 7.865 -2.873 1.00 0.53 H new ATOM 0 HG2 GLN A 125 -16.423 5.723 -4.293 1.00 1.22 H new ATOM 0 HG3 GLN A 125 -18.040 6.363 -4.508 1.00 1.22 H new ATOM 0 HE21 GLN A 125 -16.520 9.201 -4.228 1.00 2.64 H new ATOM 0 HE22 GLN A 125 -15.978 9.460 -5.889 1.00 2.64 H new