USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 429 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 11 LYS NZ :NH3+ 143:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 1.08 USER MOD Single : A 7 SER OG : rot 29:sc= 0.359 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 21 SER OG : rot -94:sc= 1.23 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.048 K(o=-0.048,f=-0.97) USER MOD Single : A 28 GLN : amide:sc= -1.56 K(o=-1.6,f=-4.1!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0.305 K(o=0.3,f=-7.4!) USER MOD Single : A 39 THR OG1 : rot 169:sc= -1.09 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0541 K(o=-0.054,f=-1.4!) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc=-0.00343 (180deg=-0.117) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.188 K(o=-0.19,f=-3.5!) USER MOD Single : A 70 GLN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= -0.0115 (180deg=-0.14) USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 4.452 3.623 -0.237 1.00 0.00 N ATOM 106 CA SER A 7 5.664 3.644 0.560 1.00 0.00 C ATOM 107 C SER A 7 6.509 2.414 0.257 1.00 0.00 C ATOM 108 O SER A 7 6.013 1.450 -0.325 1.00 0.00 O ATOM 109 CB SER A 7 5.303 3.681 2.044 1.00 0.00 C ATOM 110 OG SER A 7 4.252 4.604 2.285 1.00 0.00 O ATOM 0 HA SER A 7 6.241 4.535 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.003 2.687 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.179 3.960 2.629 1.00 0.00 H new ATOM 0 HG SER A 7 3.687 4.673 1.487 1.00 0.00 H new ATOM 116 N GLU A 8 7.785 2.448 0.629 1.00 0.00 N ATOM 117 CA GLU A 8 8.629 1.262 0.524 1.00 0.00 C ATOM 118 C GLU A 8 8.094 0.184 1.457 1.00 0.00 C ATOM 119 O GLU A 8 8.271 -1.008 1.223 1.00 0.00 O ATOM 120 CB GLU A 8 10.081 1.593 0.864 1.00 0.00 C ATOM 121 CG GLU A 8 10.615 2.781 0.086 1.00 0.00 C ATOM 122 CD GLU A 8 12.117 2.922 0.179 1.00 0.00 C ATOM 123 OE1 GLU A 8 12.670 2.739 1.281 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.748 3.238 -0.857 1.00 0.00 O ATOM 0 H GLU A 8 8.253 3.274 1.002 1.00 0.00 H new ATOM 0 HA GLU A 8 8.605 0.898 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.161 1.799 1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.704 0.722 0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.329 2.680 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.146 3.692 0.458 1.00 0.00 H new ATOM 131 N GLU A 9 7.427 0.633 2.512 1.00 0.00 N ATOM 132 CA GLU A 9 6.687 -0.243 3.402 1.00 0.00 C ATOM 133 C GLU A 9 5.597 -0.974 2.620 1.00 0.00 C ATOM 134 O GLU A 9 5.429 -2.186 2.748 1.00 0.00 O ATOM 135 CB GLU A 9 6.065 0.589 4.518 1.00 0.00 C ATOM 136 CG GLU A 9 5.178 -0.197 5.463 1.00 0.00 C ATOM 137 CD GLU A 9 4.627 0.669 6.569 1.00 0.00 C ATOM 138 OE1 GLU A 9 5.323 0.845 7.589 1.00 0.00 O ATOM 139 OE2 GLU A 9 3.508 1.202 6.414 1.00 0.00 O ATOM 0 H GLU A 9 7.386 1.618 2.773 1.00 0.00 H new ATOM 0 HA GLU A 9 7.361 -0.982 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.863 1.058 5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.479 1.393 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.354 -0.639 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.747 -1.020 5.896 1.00 0.00 H new ATOM 146 N PHE A 10 4.876 -0.218 1.796 1.00 0.00 N ATOM 147 CA PHE A 10 3.829 -0.774 0.945 1.00 0.00 C ATOM 148 C PHE A 10 4.435 -1.746 -0.067 1.00 0.00 C ATOM 149 O PHE A 10 3.836 -2.768 -0.393 1.00 0.00 O ATOM 150 CB PHE A 10 3.089 0.359 0.228 1.00 0.00 C ATOM 151 CG PHE A 10 1.896 -0.085 -0.566 1.00 0.00 C ATOM 152 CD1 PHE A 10 0.701 -0.379 0.067 1.00 0.00 C ATOM 153 CD2 PHE A 10 1.970 -0.198 -1.942 1.00 0.00 C ATOM 154 CE1 PHE A 10 -0.403 -0.775 -0.662 1.00 0.00 C ATOM 155 CE2 PHE A 10 0.871 -0.595 -2.678 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.317 -0.884 -2.036 1.00 0.00 C ATOM 0 H PHE A 10 5.000 0.790 1.700 1.00 0.00 H new ATOM 0 HA PHE A 10 3.117 -1.321 1.563 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.766 1.091 0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.786 0.867 -0.439 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.631 -0.298 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.898 0.027 -2.447 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.332 -0.999 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.940 -0.679 -3.752 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.178 -1.195 -2.608 1.00 0.00 H new ATOM 166 N LYS A 11 5.631 -1.419 -0.547 1.00 0.00 N ATOM 167 CA LYS A 11 6.376 -2.307 -1.433 1.00 0.00 C ATOM 168 C LYS A 11 6.680 -3.626 -0.726 1.00 0.00 C ATOM 169 O LYS A 11 6.468 -4.705 -1.280 1.00 0.00 O ATOM 170 CB LYS A 11 7.687 -1.648 -1.875 1.00 0.00 C ATOM 171 CG LYS A 11 7.512 -0.438 -2.781 1.00 0.00 C ATOM 172 CD LYS A 11 8.855 0.198 -3.098 1.00 0.00 C ATOM 173 CE LYS A 11 8.747 1.240 -4.194 1.00 0.00 C ATOM 174 NZ LYS A 11 10.057 1.890 -4.467 1.00 0.00 N ATOM 0 H LYS A 11 6.107 -0.542 -0.336 1.00 0.00 H new ATOM 0 HA LYS A 11 5.764 -2.504 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.243 -1.344 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.295 -2.389 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.020 -0.739 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.864 0.293 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.259 0.660 -2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.560 -0.576 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.376 0.772 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.018 1.997 -3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.148 2.072 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.113 2.790 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.827 1.263 -4.157 1.00 0.00 H new ATOM 188 N ARG A 12 7.169 -3.527 0.508 1.00 0.00 N ATOM 189 CA ARG A 12 7.487 -4.706 1.305 1.00 0.00 C ATOM 190 C ARG A 12 6.233 -5.534 1.578 1.00 0.00 C ATOM 191 O ARG A 12 6.270 -6.766 1.525 1.00 0.00 O ATOM 192 CB ARG A 12 8.176 -4.285 2.615 1.00 0.00 C ATOM 193 CG ARG A 12 8.430 -5.428 3.587 1.00 0.00 C ATOM 194 CD ARG A 12 7.298 -5.570 4.595 1.00 0.00 C ATOM 195 NE ARG A 12 7.378 -6.820 5.352 1.00 0.00 N ATOM 196 CZ ARG A 12 6.563 -7.128 6.360 1.00 0.00 C ATOM 197 NH1 ARG A 12 5.685 -6.238 6.804 1.00 0.00 N ATOM 198 NH2 ARG A 12 6.652 -8.317 6.943 1.00 0.00 N ATOM 0 H ARG A 12 7.353 -2.640 0.977 1.00 0.00 H new ATOM 0 HA ARG A 12 8.176 -5.335 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.127 -3.810 2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.561 -3.533 3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.543 -6.360 3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.368 -5.256 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.323 -4.728 5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.342 -5.525 4.073 1.00 0.00 H new ATOM 0 HE ARG A 12 8.099 -7.494 5.093 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.632 -5.315 6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.062 -6.477 7.576 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.344 -8.993 6.619 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.029 -8.554 7.715 1.00 0.00 H new ATOM 212 N ASP A 13 5.126 -4.856 1.863 1.00 0.00 N ATOM 213 CA ASP A 13 3.856 -5.531 2.114 1.00 0.00 C ATOM 214 C ASP A 13 3.423 -6.313 0.876 1.00 0.00 C ATOM 215 O ASP A 13 2.958 -7.451 0.971 1.00 0.00 O ATOM 216 CB ASP A 13 2.770 -4.517 2.501 1.00 0.00 C ATOM 217 CG ASP A 13 1.515 -5.176 3.047 1.00 0.00 C ATOM 218 OD1 ASP A 13 0.662 -5.621 2.248 1.00 0.00 O ATOM 219 OD2 ASP A 13 1.374 -5.249 4.287 1.00 0.00 O ATOM 0 H ASP A 13 5.082 -3.839 1.926 1.00 0.00 H new ATOM 0 HA ASP A 13 3.993 -6.224 2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.169 -3.832 3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.510 -3.919 1.627 1.00 0.00 H new ATOM 224 N ALA A 14 3.616 -5.697 -0.285 1.00 0.00 N ATOM 225 CA ALA A 14 3.293 -6.324 -1.560 1.00 0.00 C ATOM 226 C ALA A 14 4.116 -7.588 -1.785 1.00 0.00 C ATOM 227 O ALA A 14 3.623 -8.566 -2.350 1.00 0.00 O ATOM 228 CB ALA A 14 3.513 -5.339 -2.697 1.00 0.00 C ATOM 0 H ALA A 14 3.998 -4.755 -0.368 1.00 0.00 H new ATOM 0 HA ALA A 14 2.242 -6.613 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.269 -5.818 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.872 -4.469 -2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.556 -5.023 -2.708 1.00 0.00 H new ATOM 234 N VAL A 15 5.369 -7.572 -1.338 1.00 0.00 N ATOM 235 CA VAL A 15 6.227 -8.745 -1.441 1.00 0.00 C ATOM 236 C VAL A 15 5.661 -9.875 -0.585 1.00 0.00 C ATOM 237 O VAL A 15 5.605 -11.028 -1.014 1.00 0.00 O ATOM 238 CB VAL A 15 7.679 -8.447 -0.995 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.573 -9.667 -1.201 1.00 0.00 C ATOM 240 CG2 VAL A 15 8.237 -7.242 -1.738 1.00 0.00 C ATOM 0 H VAL A 15 5.810 -6.762 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 15 6.252 -9.039 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 15 7.662 -8.214 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.588 -9.433 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.191 -10.502 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.580 -9.939 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.258 -7.052 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.233 -7.442 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.620 -6.368 -1.529 1.00 0.00 H new ATOM 250 N ALA A 16 5.213 -9.527 0.617 1.00 0.00 N ATOM 251 CA ALA A 16 4.623 -10.500 1.528 1.00 0.00 C ATOM 252 C ALA A 16 3.303 -11.030 0.975 1.00 0.00 C ATOM 253 O ALA A 16 2.907 -12.164 1.253 1.00 0.00 O ATOM 254 CB ALA A 16 4.419 -9.885 2.901 1.00 0.00 C ATOM 0 H ALA A 16 5.248 -8.576 0.983 1.00 0.00 H new ATOM 0 HA ALA A 16 5.311 -11.340 1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.978 -10.625 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.380 -9.562 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.753 -9.026 2.820 1.00 0.00 H new ATOM 260 N LEU A 17 2.624 -10.205 0.186 1.00 0.00 N ATOM 261 CA LEU A 17 1.386 -10.611 -0.462 1.00 0.00 C ATOM 262 C LEU A 17 1.643 -11.730 -1.468 1.00 0.00 C ATOM 263 O LEU A 17 0.817 -12.624 -1.637 1.00 0.00 O ATOM 264 CB LEU A 17 0.723 -9.418 -1.157 1.00 0.00 C ATOM 265 CG LEU A 17 0.067 -8.397 -0.226 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.396 -7.179 -1.010 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.109 -9.030 0.498 1.00 0.00 C ATOM 0 H LEU A 17 2.912 -9.249 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 17 0.710 -10.985 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.474 -8.906 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.033 -9.795 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 17 0.805 -8.075 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.860 -6.464 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.460 -6.713 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.121 -7.486 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.569 -8.294 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.843 -9.372 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.760 -9.878 1.087 1.00 0.00 H new ATOM 279 N TYR A 18 2.805 -11.696 -2.120 1.00 0.00 N ATOM 280 CA TYR A 18 3.158 -12.730 -3.086 1.00 0.00 C ATOM 281 C TYR A 18 3.505 -14.035 -2.372 1.00 0.00 C ATOM 282 O TYR A 18 3.317 -15.122 -2.919 1.00 0.00 O ATOM 283 CB TYR A 18 4.323 -12.288 -3.977 1.00 0.00 C ATOM 284 CG TYR A 18 4.600 -13.253 -5.111 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.713 -13.371 -6.175 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.738 -14.048 -5.117 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.952 -14.256 -7.208 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.985 -14.934 -6.150 1.00 0.00 C ATOM 289 CZ TYR A 18 5.089 -15.033 -7.194 1.00 0.00 C ATOM 290 OH TYR A 18 5.329 -15.918 -8.222 1.00 0.00 O ATOM 0 H TYR A 18 3.511 -10.970 -1.997 1.00 0.00 H new ATOM 0 HA TYR A 18 2.290 -12.897 -3.724 1.00 0.00 H new ATOM 0 HB2 TYR A 18 4.104 -11.304 -4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.221 -12.185 -3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.822 -12.761 -6.194 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.442 -13.973 -4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.250 -14.338 -8.024 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.875 -15.545 -6.139 1.00 0.00 H new ATOM 0 HH TYR A 18 6.174 -16.387 -8.059 1.00 0.00 H new ATOM 300 N GLU A 19 4.005 -13.929 -1.145 1.00 0.00 N ATOM 301 CA GLU A 19 4.263 -15.117 -0.337 1.00 0.00 C ATOM 302 C GLU A 19 2.939 -15.752 0.087 1.00 0.00 C ATOM 303 O GLU A 19 2.874 -16.932 0.420 1.00 0.00 O ATOM 304 CB GLU A 19 5.106 -14.776 0.899 1.00 0.00 C ATOM 305 CG GLU A 19 6.483 -14.222 0.570 1.00 0.00 C ATOM 306 CD GLU A 19 7.345 -14.027 1.805 1.00 0.00 C ATOM 307 OE1 GLU A 19 7.069 -13.094 2.590 1.00 0.00 O ATOM 308 OE2 GLU A 19 8.302 -14.810 1.997 1.00 0.00 O ATOM 0 H GLU A 19 4.237 -13.045 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 19 4.827 -15.826 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.567 -14.048 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.222 -15.673 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.988 -14.900 -0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.373 -13.268 0.054 1.00 0.00 H new ATOM 315 N ASN A 20 1.880 -14.948 0.054 1.00 0.00 N ATOM 316 CA ASN A 20 0.541 -15.404 0.398 1.00 0.00 C ATOM 317 C ASN A 20 -0.351 -15.394 -0.841 1.00 0.00 C ATOM 318 O ASN A 20 -1.546 -15.116 -0.763 1.00 0.00 O ATOM 319 CB ASN A 20 -0.058 -14.505 1.486 1.00 0.00 C ATOM 320 CG ASN A 20 0.634 -14.663 2.829 1.00 0.00 C ATOM 321 OD1 ASN A 20 0.271 -15.523 3.632 1.00 0.00 O ATOM 322 ND2 ASN A 20 1.634 -13.834 3.087 1.00 0.00 N ATOM 0 H ASN A 20 1.928 -13.964 -0.212 1.00 0.00 H new ATOM 0 HA ASN A 20 0.603 -16.424 0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.009 -13.464 1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.117 -14.736 1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.131 -13.896 3.975 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.907 -13.134 2.397 1.00 0.00 H new ATOM 329 N SER A 21 0.243 -15.718 -1.981 1.00 0.00 N ATOM 330 CA SER A 21 -0.460 -15.717 -3.259 1.00 0.00 C ATOM 331 C SER A 21 -1.288 -16.984 -3.443 1.00 0.00 C ATOM 332 O SER A 21 -2.073 -17.096 -4.384 1.00 0.00 O ATOM 333 CB SER A 21 0.545 -15.578 -4.394 1.00 0.00 C ATOM 334 OG SER A 21 1.572 -16.551 -4.287 1.00 0.00 O ATOM 0 H SER A 21 1.224 -15.989 -2.047 1.00 0.00 H new ATOM 0 HA SER A 21 -1.146 -14.870 -3.270 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.035 -15.686 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.982 -14.580 -4.377 1.00 0.00 H new ATOM 0 HG SER A 21 2.334 -16.170 -3.803 1.00 0.00 H new ATOM 340 N ASP A 22 -1.069 -17.947 -2.561 1.00 0.00 N ATOM 341 CA ASP A 22 -1.721 -19.258 -2.645 1.00 0.00 C ATOM 342 C ASP A 22 -3.230 -19.148 -2.882 1.00 0.00 C ATOM 343 O ASP A 22 -3.804 -19.929 -3.640 1.00 0.00 O ATOM 344 CB ASP A 22 -1.457 -20.067 -1.372 1.00 0.00 C ATOM 345 CG ASP A 22 -1.874 -21.516 -1.526 1.00 0.00 C ATOM 346 OD1 ASP A 22 -1.119 -22.284 -2.159 1.00 0.00 O ATOM 347 OD2 ASP A 22 -2.960 -21.891 -1.031 1.00 0.00 O ATOM 0 H ASP A 22 -0.437 -17.849 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.289 -19.770 -3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.397 -20.019 -1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.999 -19.620 -0.539 1.00 0.00 H new ATOM 352 N GLY A 23 -3.862 -18.175 -2.246 1.00 0.00 N ATOM 353 CA GLY A 23 -5.295 -17.995 -2.406 1.00 0.00 C ATOM 354 C GLY A 23 -5.647 -16.773 -3.234 1.00 0.00 C ATOM 355 O GLY A 23 -6.823 -16.481 -3.449 1.00 0.00 O ATOM 0 H GLY A 23 -3.412 -17.506 -1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.717 -18.882 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.757 -17.907 -1.423 1.00 0.00 H new ATOM 359 N ALA A 24 -4.635 -16.069 -3.716 1.00 0.00 N ATOM 360 CA ALA A 24 -4.850 -14.834 -4.457 1.00 0.00 C ATOM 361 C ALA A 24 -3.854 -14.704 -5.601 1.00 0.00 C ATOM 362 O ALA A 24 -2.651 -14.570 -5.376 1.00 0.00 O ATOM 363 CB ALA A 24 -4.751 -13.635 -3.525 1.00 0.00 C ATOM 0 H ALA A 24 -3.655 -16.331 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.852 -14.863 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.914 -12.719 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.507 -13.718 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.761 -13.609 -3.070 1.00 0.00 H new ATOM 369 N SER A 25 -4.364 -14.745 -6.829 1.00 0.00 N ATOM 370 CA SER A 25 -3.516 -14.678 -8.017 1.00 0.00 C ATOM 371 C SER A 25 -2.784 -13.336 -8.109 1.00 0.00 C ATOM 372 O SER A 25 -3.217 -12.344 -7.525 1.00 0.00 O ATOM 373 CB SER A 25 -4.369 -14.903 -9.264 1.00 0.00 C ATOM 374 OG SER A 25 -5.085 -16.123 -9.167 1.00 0.00 O ATOM 0 H SER A 25 -5.361 -14.824 -7.028 1.00 0.00 H new ATOM 0 HA SER A 25 -2.760 -15.460 -7.944 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.067 -14.075 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.732 -14.918 -10.149 1.00 0.00 H new ATOM 0 HG SER A 25 -5.627 -16.249 -9.974 1.00 0.00 H new ATOM 380 N LEU A 26 -1.689 -13.313 -8.868 1.00 0.00 N ATOM 381 CA LEU A 26 -0.848 -12.125 -8.992 1.00 0.00 C ATOM 382 C LEU A 26 -1.641 -10.942 -9.543 1.00 0.00 C ATOM 383 O LEU A 26 -1.488 -9.807 -9.083 1.00 0.00 O ATOM 384 CB LEU A 26 0.345 -12.422 -9.903 1.00 0.00 C ATOM 385 CG LEU A 26 1.404 -11.320 -9.971 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.035 -11.099 -8.606 1.00 0.00 C ATOM 387 CD2 LEU A 26 2.468 -11.672 -10.997 1.00 0.00 C ATOM 0 H LEU A 26 -1.362 -14.112 -9.411 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.488 -11.860 -7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.822 -13.341 -9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.026 -12.610 -10.911 1.00 0.00 H new ATOM 0 HG LEU A 26 0.918 -10.394 -10.278 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.785 -10.312 -8.675 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.265 -10.805 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.508 -12.022 -8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.214 -10.879 -11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.948 -12.609 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.006 -11.781 -11.978 1.00 0.00 H new ATOM 399 N GLN A 27 -2.496 -11.215 -10.522 1.00 0.00 N ATOM 400 CA GLN A 27 -3.343 -10.178 -11.108 1.00 0.00 C ATOM 401 C GLN A 27 -4.295 -9.614 -10.057 1.00 0.00 C ATOM 402 O GLN A 27 -4.624 -8.432 -10.085 1.00 0.00 O ATOM 403 CB GLN A 27 -4.142 -10.727 -12.297 1.00 0.00 C ATOM 404 CG GLN A 27 -4.868 -9.648 -13.090 1.00 0.00 C ATOM 405 CD GLN A 27 -3.916 -8.728 -13.835 1.00 0.00 C ATOM 406 OE1 GLN A 27 -2.824 -9.132 -14.236 1.00 0.00 O ATOM 407 NE2 GLN A 27 -4.326 -7.486 -14.026 1.00 0.00 N ATOM 0 H GLN A 27 -2.622 -12.143 -10.927 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.696 -9.379 -11.468 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.466 -11.263 -12.963 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.871 -11.451 -11.932 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.544 -10.120 -13.803 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.483 -9.056 -12.412 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.238 -7.191 -13.678 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.730 -6.823 -14.522 1.00 0.00 H new ATOM 416 N GLN A 28 -4.714 -10.459 -9.119 1.00 0.00 N ATOM 417 CA GLN A 28 -5.626 -10.042 -8.059 1.00 0.00 C ATOM 418 C GLN A 28 -4.902 -9.113 -7.088 1.00 0.00 C ATOM 419 O GLN A 28 -5.451 -8.099 -6.663 1.00 0.00 O ATOM 420 CB GLN A 28 -6.186 -11.277 -7.332 1.00 0.00 C ATOM 421 CG GLN A 28 -7.342 -10.994 -6.377 1.00 0.00 C ATOM 422 CD GLN A 28 -6.906 -10.408 -5.042 1.00 0.00 C ATOM 423 OE1 GLN A 28 -5.809 -10.681 -4.557 1.00 0.00 O ATOM 424 NE2 GLN A 28 -7.766 -9.606 -4.436 1.00 0.00 N ATOM 0 H GLN A 28 -4.435 -11.439 -9.072 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.463 -9.496 -8.494 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.519 -11.999 -8.078 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.378 -11.747 -6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.037 -10.304 -6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.887 -11.921 -6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.667 -9.403 -4.870 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.528 -9.191 -3.535 1.00 0.00 H new ATOM 433 N ILE A 29 -3.663 -9.460 -6.760 1.00 0.00 N ATOM 434 CA ILE A 29 -2.833 -8.629 -5.895 1.00 0.00 C ATOM 435 C ILE A 29 -2.690 -7.229 -6.483 1.00 0.00 C ATOM 436 O ILE A 29 -2.925 -6.226 -5.808 1.00 0.00 O ATOM 437 CB ILE A 29 -1.427 -9.243 -5.693 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.532 -10.680 -5.161 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.599 -8.384 -4.747 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.218 -10.788 -3.813 1.00 0.00 C ATOM 0 H ILE A 29 -3.209 -10.315 -7.081 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.328 -8.573 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.926 -9.272 -6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.077 -11.286 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.530 -11.102 -5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.386 -8.832 -4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.491 -7.383 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.099 -8.321 -3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.253 -11.833 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.662 -10.211 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.233 -10.398 -3.889 1.00 0.00 H new ATOM 452 N ALA A 30 -2.331 -7.168 -7.756 1.00 0.00 N ATOM 453 CA ALA A 30 -2.177 -5.898 -8.447 1.00 0.00 C ATOM 454 C ALA A 30 -3.517 -5.179 -8.594 1.00 0.00 C ATOM 455 O ALA A 30 -3.582 -3.951 -8.560 1.00 0.00 O ATOM 456 CB ALA A 30 -1.539 -6.122 -9.808 1.00 0.00 C ATOM 0 H ALA A 30 -2.140 -7.987 -8.333 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.525 -5.261 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.427 -5.166 -10.319 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.559 -6.581 -9.679 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.173 -6.780 -10.403 1.00 0.00 H new ATOM 462 N ASN A 31 -4.581 -5.958 -8.735 1.00 0.00 N ATOM 463 CA ASN A 31 -5.925 -5.418 -8.927 1.00 0.00 C ATOM 464 C ASN A 31 -6.431 -4.766 -7.645 1.00 0.00 C ATOM 465 O ASN A 31 -6.940 -3.644 -7.664 1.00 0.00 O ATOM 466 CB ASN A 31 -6.890 -6.538 -9.335 1.00 0.00 C ATOM 467 CG ASN A 31 -8.063 -6.035 -10.155 1.00 0.00 C ATOM 468 OD1 ASN A 31 -9.059 -5.547 -9.617 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.957 -6.178 -11.468 1.00 0.00 N ATOM 0 H ASN A 31 -4.540 -6.977 -8.720 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.879 -4.667 -9.716 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.346 -7.288 -9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.265 -7.033 -8.439 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.719 -5.879 -12.077 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.114 -6.587 -11.870 1.00 0.00 H new ATOM 476 N ASP A 32 -6.277 -5.485 -6.538 1.00 0.00 N ATOM 477 CA ASP A 32 -6.768 -5.037 -5.238 1.00 0.00 C ATOM 478 C ASP A 32 -6.006 -3.805 -4.763 1.00 0.00 C ATOM 479 O ASP A 32 -6.592 -2.858 -4.233 1.00 0.00 O ATOM 480 CB ASP A 32 -6.634 -6.167 -4.211 1.00 0.00 C ATOM 481 CG ASP A 32 -7.282 -5.836 -2.882 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.522 -5.686 -2.845 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.557 -5.734 -1.868 1.00 0.00 O ATOM 0 H ASP A 32 -5.810 -6.392 -6.516 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.819 -4.768 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.086 -7.073 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.578 -6.382 -4.051 1.00 0.00 H new ATOM 488 N LEU A 33 -4.696 -3.822 -4.965 1.00 0.00 N ATOM 489 CA LEU A 33 -3.844 -2.702 -4.586 1.00 0.00 C ATOM 490 C LEU A 33 -4.031 -1.534 -5.547 1.00 0.00 C ATOM 491 O LEU A 33 -4.008 -0.370 -5.144 1.00 0.00 O ATOM 492 CB LEU A 33 -2.373 -3.136 -4.549 1.00 0.00 C ATOM 493 CG LEU A 33 -1.900 -3.796 -3.244 1.00 0.00 C ATOM 494 CD1 LEU A 33 -2.741 -5.014 -2.895 1.00 0.00 C ATOM 495 CD2 LEU A 33 -0.433 -4.183 -3.355 1.00 0.00 C ATOM 0 H LEU A 33 -4.197 -4.603 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.134 -2.374 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.199 -3.832 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.751 -2.261 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.020 -3.070 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.377 -5.454 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.782 -4.714 -2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.668 -5.748 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.108 -4.650 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.303 -4.886 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.165 -3.291 -3.542 1.00 0.00 H new ATOM 507 N GLY A 34 -4.243 -1.849 -6.814 1.00 0.00 N ATOM 508 CA GLY A 34 -4.427 -0.817 -7.813 1.00 0.00 C ATOM 509 C GLY A 34 -3.120 -0.414 -8.464 1.00 0.00 C ATOM 510 O GLY A 34 -2.881 0.767 -8.724 1.00 0.00 O ATOM 0 H GLY A 34 -4.291 -2.804 -7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.118 -1.172 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.886 0.057 -7.350 1.00 0.00 H new ATOM 514 N ILE A 35 -2.273 -1.396 -8.730 1.00 0.00 N ATOM 515 CA ILE A 35 -0.967 -1.144 -9.318 1.00 0.00 C ATOM 516 C ILE A 35 -0.755 -2.025 -10.540 1.00 0.00 C ATOM 517 O ILE A 35 -1.561 -2.914 -10.820 1.00 0.00 O ATOM 518 CB ILE A 35 0.167 -1.403 -8.308 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.050 -2.813 -7.720 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.151 -0.351 -7.208 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.169 -3.168 -6.767 1.00 0.00 C ATOM 0 H ILE A 35 -2.468 -2.380 -8.547 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.941 -0.094 -9.611 1.00 0.00 H new ATOM 0 HB ILE A 35 1.121 -1.332 -8.831 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.902 -2.901 -7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.035 -3.537 -8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.959 -0.549 -6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.287 0.637 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.804 -0.387 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.019 -4.180 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.124 -3.113 -7.290 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.172 -2.467 -5.932 1.00 0.00 H new ATOM 533 N ASN A 36 0.313 -1.763 -11.276 1.00 0.00 N ATOM 534 CA ASN A 36 0.653 -2.565 -12.432 1.00 0.00 C ATOM 535 C ASN A 36 1.286 -3.884 -12.007 1.00 0.00 C ATOM 536 O ASN A 36 2.041 -3.936 -11.035 1.00 0.00 O ATOM 537 CB ASN A 36 1.613 -1.791 -13.333 1.00 0.00 C ATOM 538 CG ASN A 36 1.875 -2.510 -14.632 1.00 0.00 C ATOM 539 OD1 ASN A 36 2.828 -3.271 -14.751 1.00 0.00 O ATOM 540 ND2 ASN A 36 1.022 -2.287 -15.609 1.00 0.00 N ATOM 0 H ASN A 36 0.960 -0.997 -11.089 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.261 -2.785 -12.983 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.198 -0.805 -13.542 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.556 -1.635 -12.809 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.141 -2.756 -16.507 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.242 -1.646 -15.468 1.00 0.00 H new ATOM 547 N ARG A 37 0.989 -4.940 -12.753 1.00 0.00 N ATOM 548 CA ARG A 37 1.509 -6.273 -12.459 1.00 0.00 C ATOM 549 C ARG A 37 3.032 -6.302 -12.557 1.00 0.00 C ATOM 550 O ARG A 37 3.702 -6.953 -11.755 1.00 0.00 O ATOM 551 CB ARG A 37 0.894 -7.285 -13.428 1.00 0.00 C ATOM 552 CG ARG A 37 1.415 -8.708 -13.271 1.00 0.00 C ATOM 553 CD ARG A 37 0.776 -9.631 -14.294 1.00 0.00 C ATOM 554 NE ARG A 37 1.332 -10.984 -14.259 1.00 0.00 N ATOM 555 CZ ARG A 37 1.460 -11.753 -15.341 1.00 0.00 C ATOM 556 NH1 ARG A 37 1.113 -11.284 -16.534 1.00 0.00 N ATOM 557 NH2 ARG A 37 1.942 -12.987 -15.238 1.00 0.00 N ATOM 0 H ARG A 37 0.385 -4.900 -13.574 1.00 0.00 H new ATOM 0 HA ARG A 37 1.236 -6.537 -11.437 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.187 -7.290 -13.290 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.083 -6.953 -14.449 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.498 -8.719 -13.391 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.202 -9.069 -12.265 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.298 -9.679 -14.113 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.913 -9.212 -15.291 1.00 0.00 H new ATOM 0 HE ARG A 37 1.637 -11.358 -13.361 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.749 -10.335 -16.623 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.211 -11.872 -17.361 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.217 -13.353 -14.326 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.037 -13.569 -16.071 1.00 0.00 H new ATOM 571 N VAL A 38 3.570 -5.575 -13.525 1.00 0.00 N ATOM 572 CA VAL A 38 5.010 -5.535 -13.739 1.00 0.00 C ATOM 573 C VAL A 38 5.679 -4.691 -12.662 1.00 0.00 C ATOM 574 O VAL A 38 6.729 -5.057 -12.140 1.00 0.00 O ATOM 575 CB VAL A 38 5.361 -4.981 -15.134 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.866 -4.990 -15.359 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.653 -5.782 -16.216 1.00 0.00 C ATOM 0 H VAL A 38 3.031 -5.004 -14.176 1.00 0.00 H new ATOM 0 HA VAL A 38 5.382 -6.558 -13.680 1.00 0.00 H new ATOM 0 HB VAL A 38 5.018 -3.948 -15.187 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.088 -4.595 -16.350 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.350 -4.371 -14.604 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.239 -6.011 -15.284 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.911 -5.378 -17.195 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.965 -6.825 -16.160 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.575 -5.718 -16.070 1.00 0.00 H new ATOM 587 N THR A 39 5.053 -3.569 -12.315 1.00 0.00 N ATOM 588 CA THR A 39 5.552 -2.721 -11.239 1.00 0.00 C ATOM 589 C THR A 39 5.594 -3.498 -9.925 1.00 0.00 C ATOM 590 O THR A 39 6.566 -3.420 -9.170 1.00 0.00 O ATOM 591 CB THR A 39 4.669 -1.473 -11.080 1.00 0.00 C ATOM 592 OG1 THR A 39 4.551 -0.811 -12.346 1.00 0.00 O ATOM 593 CG2 THR A 39 5.248 -0.510 -10.056 1.00 0.00 C ATOM 0 H THR A 39 4.202 -3.228 -12.762 1.00 0.00 H new ATOM 0 HA THR A 39 6.563 -2.404 -11.496 1.00 0.00 H new ATOM 0 HB THR A 39 3.688 -1.791 -10.728 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.854 -0.124 -12.292 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.599 0.361 -9.968 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.320 -1.007 -9.089 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.240 -0.192 -10.376 1.00 0.00 H new ATOM 601 N LEU A 40 4.539 -4.264 -9.677 1.00 0.00 N ATOM 602 CA LEU A 40 4.471 -5.137 -8.512 1.00 0.00 C ATOM 603 C LEU A 40 5.616 -6.147 -8.531 1.00 0.00 C ATOM 604 O LEU A 40 6.318 -6.327 -7.535 1.00 0.00 O ATOM 605 CB LEU A 40 3.121 -5.864 -8.495 1.00 0.00 C ATOM 606 CG LEU A 40 2.940 -6.911 -7.394 1.00 0.00 C ATOM 607 CD1 LEU A 40 3.028 -6.270 -6.020 1.00 0.00 C ATOM 608 CD2 LEU A 40 1.613 -7.633 -7.567 1.00 0.00 C ATOM 0 H LEU A 40 3.712 -4.298 -10.273 1.00 0.00 H new ATOM 0 HA LEU A 40 4.565 -4.533 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.331 -5.120 -8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.980 -6.351 -9.460 1.00 0.00 H new ATOM 0 HG LEU A 40 3.745 -7.641 -7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.896 -7.033 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.004 -5.799 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.247 -5.516 -5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.497 -8.375 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.797 -6.913 -7.511 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.593 -8.129 -8.537 1.00 0.00 H new ATOM 620 N LYS A 41 5.803 -6.783 -9.681 1.00 0.00 N ATOM 621 CA LYS A 41 6.850 -7.781 -9.860 1.00 0.00 C ATOM 622 C LYS A 41 8.226 -7.185 -9.575 1.00 0.00 C ATOM 623 O LYS A 41 9.056 -7.796 -8.901 1.00 0.00 O ATOM 624 CB LYS A 41 6.807 -8.320 -11.289 1.00 0.00 C ATOM 625 CG LYS A 41 7.663 -9.554 -11.513 1.00 0.00 C ATOM 626 CD LYS A 41 7.589 -10.016 -12.959 1.00 0.00 C ATOM 627 CE LYS A 41 8.361 -11.310 -13.180 1.00 0.00 C ATOM 628 NZ LYS A 41 8.275 -11.771 -14.591 1.00 0.00 N ATOM 0 H LYS A 41 5.235 -6.622 -10.513 1.00 0.00 H new ATOM 0 HA LYS A 41 6.676 -8.594 -9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.774 -8.556 -11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.134 -7.536 -11.972 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.698 -9.335 -11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.330 -10.356 -10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.546 -10.162 -13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.989 -9.239 -13.610 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.406 -11.160 -12.910 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.969 -12.084 -12.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.813 -12.654 -14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.280 -11.938 -14.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.672 -11.043 -15.219 1.00 0.00 H new ATOM 642 N ASN A 42 8.449 -5.986 -10.098 1.00 0.00 N ATOM 643 CA ASN A 42 9.711 -5.273 -9.908 1.00 0.00 C ATOM 644 C ASN A 42 10.019 -5.058 -8.431 1.00 0.00 C ATOM 645 O ASN A 42 11.179 -5.124 -8.019 1.00 0.00 O ATOM 646 CB ASN A 42 9.690 -3.923 -10.631 1.00 0.00 C ATOM 647 CG ASN A 42 9.948 -4.050 -12.121 1.00 0.00 C ATOM 648 OD1 ASN A 42 10.648 -4.959 -12.569 1.00 0.00 O ATOM 649 ND2 ASN A 42 9.404 -3.127 -12.898 1.00 0.00 N ATOM 0 H ASN A 42 7.766 -5.481 -10.663 1.00 0.00 H new ATOM 0 HA ASN A 42 10.497 -5.896 -10.335 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.722 -3.447 -10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.443 -3.269 -10.191 1.00 0.00 H new ATOM 0 HD21 ASN A 42 9.559 -3.153 -13.906 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.830 -2.390 -12.489 1.00 0.00 H new ATOM 656 N TRP A 43 8.986 -4.795 -7.638 1.00 0.00 N ATOM 657 CA TRP A 43 9.163 -4.606 -6.204 1.00 0.00 C ATOM 658 C TRP A 43 9.504 -5.931 -5.538 1.00 0.00 C ATOM 659 O TRP A 43 10.413 -6.003 -4.710 1.00 0.00 O ATOM 660 CB TRP A 43 7.900 -4.021 -5.564 1.00 0.00 C ATOM 661 CG TRP A 43 7.536 -2.647 -6.055 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.329 -1.776 -6.750 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.283 -1.977 -5.863 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.637 -0.617 -7.017 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.383 -0.716 -6.478 1.00 0.00 C ATOM 666 CE3 TRP A 43 5.086 -2.327 -5.233 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.330 0.196 -6.481 1.00 0.00 C ATOM 668 CZ3 TRP A 43 4.045 -1.420 -5.236 1.00 0.00 C ATOM 669 CH2 TRP A 43 4.171 -0.173 -5.856 1.00 0.00 C ATOM 0 H TRP A 43 8.023 -4.708 -7.962 1.00 0.00 H new ATOM 0 HA TRP A 43 9.983 -3.903 -6.058 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.065 -4.695 -5.755 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.039 -3.983 -4.484 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.349 -1.970 -7.046 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.000 0.185 -7.533 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.977 -3.288 -4.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.425 1.159 -6.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.116 -1.679 -4.750 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.336 0.512 -5.841 1.00 0.00 H new ATOM 680 N ILE A 44 8.779 -6.979 -5.920 1.00 0.00 N ATOM 681 CA ILE A 44 8.970 -8.306 -5.337 1.00 0.00 C ATOM 682 C ILE A 44 10.394 -8.808 -5.563 1.00 0.00 C ATOM 683 O ILE A 44 11.036 -9.315 -4.646 1.00 0.00 O ATOM 684 CB ILE A 44 7.969 -9.324 -5.923 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.535 -8.853 -5.673 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.186 -10.711 -5.322 1.00 0.00 C ATOM 687 CD1 ILE A 44 5.481 -9.724 -6.333 1.00 0.00 C ATOM 0 H ILE A 44 8.051 -6.935 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 44 8.793 -8.213 -4.266 1.00 0.00 H new ATOM 0 HB ILE A 44 8.137 -9.392 -6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.352 -8.829 -4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.429 -7.831 -6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.468 -11.410 -5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.198 -11.049 -5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.047 -10.665 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.490 -9.328 -6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.637 -9.729 -7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.559 -10.742 -5.951 1.00 0.00 H new ATOM 699 N ILE A 45 10.883 -8.655 -6.787 1.00 0.00 N ATOM 700 CA ILE A 45 12.219 -9.119 -7.140 1.00 0.00 C ATOM 701 C ILE A 45 13.297 -8.286 -6.446 1.00 0.00 C ATOM 702 O ILE A 45 14.276 -8.824 -5.929 1.00 0.00 O ATOM 703 CB ILE A 45 12.441 -9.082 -8.672 1.00 0.00 C ATOM 704 CG1 ILE A 45 11.400 -9.951 -9.383 1.00 0.00 C ATOM 705 CG2 ILE A 45 13.849 -9.551 -9.026 1.00 0.00 C ATOM 706 CD1 ILE A 45 11.507 -9.906 -10.892 1.00 0.00 C ATOM 0 H ILE A 45 10.374 -8.213 -7.553 1.00 0.00 H new ATOM 0 HA ILE A 45 12.298 -10.151 -6.799 1.00 0.00 H new ATOM 0 HB ILE A 45 12.327 -8.051 -9.008 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.510 -10.983 -9.049 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.403 -9.625 -9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.983 -9.517 -10.107 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.580 -8.899 -8.549 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.991 -10.573 -8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.740 -10.544 -11.330 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.367 -8.881 -11.236 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.492 -10.260 -11.198 1.00 0.00 H new ATOM 718 N LYS A 46 13.099 -6.975 -6.416 1.00 0.00 N ATOM 719 CA LYS A 46 14.108 -6.066 -5.886 1.00 0.00 C ATOM 720 C LYS A 46 14.195 -6.152 -4.363 1.00 0.00 C ATOM 721 O LYS A 46 15.271 -6.364 -3.803 1.00 0.00 O ATOM 722 CB LYS A 46 13.794 -4.629 -6.309 1.00 0.00 C ATOM 723 CG LYS A 46 14.934 -3.648 -6.073 1.00 0.00 C ATOM 724 CD LYS A 46 14.503 -2.219 -6.368 1.00 0.00 C ATOM 725 CE LYS A 46 15.685 -1.260 -6.371 1.00 0.00 C ATOM 726 NZ LYS A 46 16.575 -1.471 -7.543 1.00 0.00 N ATOM 0 H LYS A 46 12.251 -6.517 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 46 15.073 -6.364 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.536 -4.622 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.915 -4.285 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.272 -3.722 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.781 -3.913 -6.706 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.003 -2.183 -7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.776 -1.897 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.318 -0.234 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.258 -1.390 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.244 -0.678 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.103 -2.359 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.002 -1.524 -8.409 1.00 0.00 H new ATOM 740 N TYR A 47 13.061 -5.995 -3.696 1.00 0.00 N ATOM 741 CA TYR A 47 13.042 -5.921 -2.241 1.00 0.00 C ATOM 742 C TYR A 47 13.033 -7.310 -1.614 1.00 0.00 C ATOM 743 O TYR A 47 13.506 -7.494 -0.493 1.00 0.00 O ATOM 744 CB TYR A 47 11.834 -5.114 -1.766 1.00 0.00 C ATOM 745 CG TYR A 47 11.890 -3.659 -2.172 1.00 0.00 C ATOM 746 CD1 TYR A 47 11.452 -3.250 -3.424 1.00 0.00 C ATOM 747 CD2 TYR A 47 12.395 -2.698 -1.310 1.00 0.00 C ATOM 748 CE1 TYR A 47 11.509 -1.926 -3.800 1.00 0.00 C ATOM 749 CE2 TYR A 47 12.455 -1.369 -1.678 1.00 0.00 C ATOM 750 CZ TYR A 47 12.016 -0.988 -2.926 1.00 0.00 C ATOM 751 OH TYR A 47 12.066 0.334 -3.303 1.00 0.00 O ATOM 0 H TYR A 47 12.144 -5.917 -4.137 1.00 0.00 H new ATOM 0 HA TYR A 47 13.953 -5.416 -1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.926 -5.562 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.767 -5.179 -0.680 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.060 -3.982 -4.115 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.748 -2.994 -0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.158 -1.624 -4.776 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.844 -0.632 -0.991 1.00 0.00 H new ATOM 0 HH TYR A 47 12.448 0.867 -2.575 1.00 0.00 H new ATOM 761 N GLY A 48 12.503 -8.287 -2.346 1.00 0.00 N ATOM 762 CA GLY A 48 12.470 -9.655 -1.858 1.00 0.00 C ATOM 763 C GLY A 48 13.848 -10.288 -1.824 1.00 0.00 C ATOM 764 O GLY A 48 14.035 -11.354 -1.241 1.00 0.00 O ATOM 0 H GLY A 48 12.095 -8.155 -3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.041 -9.671 -0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.815 -10.250 -2.495 1.00 0.00 H new ATOM 928 N ALA A 61 36.607 -17.021 -9.049 1.00 0.00 N ATOM 929 CA ALA A 61 37.575 -18.104 -8.921 1.00 0.00 C ATOM 930 C ALA A 61 38.282 -18.377 -10.243 1.00 0.00 C ATOM 931 O ALA A 61 39.208 -19.184 -10.309 1.00 0.00 O ATOM 932 CB ALA A 61 36.898 -19.365 -8.410 1.00 0.00 C ATOM 0 HA ALA A 61 38.329 -17.793 -8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 61 37.635 -20.163 -8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 61 36.454 -19.170 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 61 36.118 -19.668 -9.109 1.00 0.00 H new ATOM 938 N VAL A 62 37.845 -17.691 -11.284 1.00 0.00 N ATOM 939 CA VAL A 62 38.458 -17.822 -12.601 1.00 0.00 C ATOM 940 C VAL A 62 39.767 -17.045 -12.649 1.00 0.00 C ATOM 941 O VAL A 62 40.779 -17.531 -13.153 1.00 0.00 O ATOM 942 CB VAL A 62 37.514 -17.326 -13.718 1.00 0.00 C ATOM 943 CG1 VAL A 62 38.146 -17.509 -15.091 1.00 0.00 C ATOM 944 CG2 VAL A 62 36.177 -18.053 -13.642 1.00 0.00 C ATOM 0 H VAL A 62 37.065 -17.034 -11.246 1.00 0.00 H new ATOM 0 HA VAL A 62 38.656 -18.880 -12.771 1.00 0.00 H new ATOM 0 HB VAL A 62 37.341 -16.260 -13.569 1.00 0.00 H new ATOM 0 HG11 VAL A 62 37.459 -17.151 -15.858 1.00 0.00 H new ATOM 0 HG12 VAL A 62 39.075 -16.941 -15.142 1.00 0.00 H new ATOM 0 HG13 VAL A 62 38.357 -18.566 -15.257 1.00 0.00 H new ATOM 0 HG21 VAL A 62 35.522 -17.693 -14.435 1.00 0.00 H new ATOM 0 HG22 VAL A 62 36.338 -19.124 -13.762 1.00 0.00 H new ATOM 0 HG23 VAL A 62 35.714 -17.862 -12.674 1.00 0.00 H new ATOM 954 N SER A 63 39.737 -15.844 -12.103 1.00 0.00 N ATOM 955 CA SER A 63 40.929 -15.018 -12.016 1.00 0.00 C ATOM 956 C SER A 63 41.805 -15.496 -10.863 1.00 0.00 C ATOM 957 O SER A 63 43.026 -15.561 -10.982 1.00 0.00 O ATOM 958 CB SER A 63 40.539 -13.552 -11.820 1.00 0.00 C ATOM 959 OG SER A 63 39.606 -13.132 -12.806 1.00 0.00 O ATOM 0 H SER A 63 38.898 -15.416 -11.711 1.00 0.00 H new ATOM 0 HA SER A 63 41.493 -15.104 -12.945 1.00 0.00 H new ATOM 0 HB2 SER A 63 40.109 -13.417 -10.828 1.00 0.00 H new ATOM 0 HB3 SER A 63 41.430 -12.926 -11.869 1.00 0.00 H new ATOM 0 HG SER A 63 39.373 -12.192 -12.656 1.00 0.00 H new ATOM 965 N GLU A 64 41.152 -15.873 -9.762 1.00 0.00 N ATOM 966 CA GLU A 64 41.836 -16.338 -8.556 1.00 0.00 C ATOM 967 C GLU A 64 42.680 -17.583 -8.848 1.00 0.00 C ATOM 968 O GLU A 64 43.677 -17.853 -8.175 1.00 0.00 O ATOM 969 CB GLU A 64 40.795 -16.656 -7.477 1.00 0.00 C ATOM 970 CG GLU A 64 41.354 -16.754 -6.066 1.00 0.00 C ATOM 971 CD GLU A 64 41.697 -15.403 -5.477 1.00 0.00 C ATOM 972 OE1 GLU A 64 40.769 -14.589 -5.272 1.00 0.00 O ATOM 973 OE2 GLU A 64 42.883 -15.155 -5.190 1.00 0.00 O ATOM 0 H GLU A 64 40.135 -15.864 -9.682 1.00 0.00 H new ATOM 0 HA GLU A 64 42.504 -15.551 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 64 40.025 -15.885 -7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 64 40.308 -17.599 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 64 40.626 -17.251 -5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 64 42.247 -17.378 -6.076 1.00 0.00 H new ATOM 980 N ALA A 65 42.276 -18.325 -9.871 1.00 0.00 N ATOM 981 CA ALA A 65 42.953 -19.559 -10.260 1.00 0.00 C ATOM 982 C ALA A 65 44.406 -19.305 -10.655 1.00 0.00 C ATOM 983 O ALA A 65 45.237 -20.207 -10.587 1.00 0.00 O ATOM 984 CB ALA A 65 42.207 -20.227 -11.402 1.00 0.00 C ATOM 0 H ALA A 65 41.472 -18.091 -10.454 1.00 0.00 H new ATOM 0 HA ALA A 65 42.957 -20.223 -9.396 1.00 0.00 H new ATOM 0 HB1 ALA A 65 42.721 -21.146 -11.684 1.00 0.00 H new ATOM 0 HB2 ALA A 65 41.191 -20.462 -11.085 1.00 0.00 H new ATOM 0 HB3 ALA A 65 42.173 -19.553 -12.258 1.00 0.00 H new ATOM 990 N GLU A 66 44.702 -18.079 -11.073 1.00 0.00 N ATOM 991 CA GLU A 66 46.050 -17.715 -11.485 1.00 0.00 C ATOM 992 C GLU A 66 46.980 -17.666 -10.278 1.00 0.00 C ATOM 993 O GLU A 66 48.081 -18.218 -10.302 1.00 0.00 O ATOM 994 CB GLU A 66 46.037 -16.363 -12.199 1.00 0.00 C ATOM 995 CG GLU A 66 47.379 -15.966 -12.795 1.00 0.00 C ATOM 996 CD GLU A 66 47.321 -14.630 -13.499 1.00 0.00 C ATOM 997 OE1 GLU A 66 46.732 -14.559 -14.602 1.00 0.00 O ATOM 998 OE2 GLU A 66 47.849 -13.642 -12.953 1.00 0.00 O ATOM 0 H GLU A 66 44.024 -17.320 -11.135 1.00 0.00 H new ATOM 0 HA GLU A 66 46.419 -18.473 -12.176 1.00 0.00 H new ATOM 0 HB2 GLU A 66 45.292 -16.390 -12.994 1.00 0.00 H new ATOM 0 HB3 GLU A 66 45.722 -15.594 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 66 48.128 -15.925 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 66 47.702 -16.732 -13.500 1.00 0.00 H new ATOM 1005 N GLN A 67 46.517 -17.024 -9.218 1.00 0.00 N ATOM 1006 CA GLN A 67 47.291 -16.911 -7.992 1.00 0.00 C ATOM 1007 C GLN A 67 47.410 -18.275 -7.319 1.00 0.00 C ATOM 1008 O GLN A 67 48.452 -18.618 -6.757 1.00 0.00 O ATOM 1009 CB GLN A 67 46.648 -15.898 -7.036 1.00 0.00 C ATOM 1010 CG GLN A 67 46.716 -14.453 -7.512 1.00 0.00 C ATOM 1011 CD GLN A 67 45.849 -14.178 -8.731 1.00 0.00 C ATOM 1012 OE1 GLN A 67 44.805 -14.797 -8.918 1.00 0.00 O ATOM 1013 NE2 GLN A 67 46.283 -13.254 -9.573 1.00 0.00 N ATOM 0 H GLN A 67 45.604 -16.571 -9.182 1.00 0.00 H new ATOM 0 HA GLN A 67 48.290 -16.555 -8.245 1.00 0.00 H new ATOM 0 HB2 GLN A 67 45.603 -16.170 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 67 47.138 -15.971 -6.065 1.00 0.00 H new ATOM 0 HG2 GLN A 67 46.407 -13.796 -6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 67 47.751 -14.204 -7.747 1.00 0.00 H new ATOM 0 HE21 GLN A 67 47.155 -12.761 -9.384 1.00 0.00 H new ATOM 0 HE22 GLN A 67 45.745 -13.035 -10.411 1.00 0.00 H new ATOM 1022 N ILE A 68 46.335 -19.052 -7.394 1.00 0.00 N ATOM 1023 CA ILE A 68 46.332 -20.412 -6.863 1.00 0.00 C ATOM 1024 C ILE A 68 47.310 -21.289 -7.642 1.00 0.00 C ATOM 1025 O ILE A 68 47.971 -22.154 -7.066 1.00 0.00 O ATOM 1026 CB ILE A 68 44.901 -21.025 -6.878 1.00 0.00 C ATOM 1027 CG1 ILE A 68 44.158 -20.706 -5.576 1.00 0.00 C ATOM 1028 CG2 ILE A 68 44.934 -22.530 -7.099 1.00 0.00 C ATOM 1029 CD1 ILE A 68 43.991 -19.228 -5.311 1.00 0.00 C ATOM 0 H ILE A 68 45.453 -18.764 -7.818 1.00 0.00 H new ATOM 0 HA ILE A 68 46.658 -20.369 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 68 44.367 -20.572 -7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 68 43.173 -21.173 -5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 68 44.697 -21.156 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 68 43.916 -22.920 -7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 68 45.409 -22.747 -8.056 1.00 0.00 H new ATOM 0 HG23 ILE A 68 45.500 -23.003 -6.297 1.00 0.00 H new ATOM 0 HD11 ILE A 68 43.456 -19.085 -4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 68 44.972 -18.757 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 68 43.424 -18.774 -6.124 1.00 0.00 H new ATOM 1041 N ARG A 69 47.412 -21.047 -8.947 1.00 0.00 N ATOM 1042 CA ARG A 69 48.359 -21.770 -9.795 1.00 0.00 C ATOM 1043 C ARG A 69 49.783 -21.582 -9.294 1.00 0.00 C ATOM 1044 O ARG A 69 50.550 -22.538 -9.215 1.00 0.00 O ATOM 1045 CB ARG A 69 48.261 -21.300 -11.249 1.00 0.00 C ATOM 1046 CG ARG A 69 49.270 -21.966 -12.173 1.00 0.00 C ATOM 1047 CD ARG A 69 49.107 -21.495 -13.606 1.00 0.00 C ATOM 1048 NE ARG A 69 47.808 -21.866 -14.157 1.00 0.00 N ATOM 1049 CZ ARG A 69 47.571 -22.024 -15.459 1.00 0.00 C ATOM 1050 NH1 ARG A 69 48.534 -21.806 -16.346 1.00 0.00 N ATOM 1051 NH2 ARG A 69 46.361 -22.378 -15.870 1.00 0.00 N ATOM 0 H ARG A 69 46.850 -20.355 -9.442 1.00 0.00 H new ATOM 0 HA ARG A 69 48.102 -22.828 -9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 69 47.255 -21.498 -11.619 1.00 0.00 H new ATOM 0 HB3 ARG A 69 48.406 -20.220 -11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 69 50.281 -21.746 -11.829 1.00 0.00 H new ATOM 0 HG3 ARG A 69 49.147 -23.048 -12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 69 49.223 -20.412 -13.647 1.00 0.00 H new ATOM 0 HD3 ARG A 69 49.898 -21.924 -14.221 1.00 0.00 H new ATOM 0 HE ARG A 69 47.036 -22.013 -13.507 1.00 0.00 H new ATOM 0 HH11 ARG A 69 49.460 -21.516 -16.032 1.00 0.00 H new ATOM 0 HH12 ARG A 69 48.348 -21.928 -17.341 1.00 0.00 H new ATOM 0 HH21 ARG A 69 45.615 -22.528 -15.191 1.00 0.00 H new ATOM 0 HH22 ARG A 69 46.176 -22.500 -16.866 1.00 0.00 H new ATOM 1065 N GLN A 70 50.122 -20.347 -8.952 1.00 0.00 N ATOM 1066 CA GLN A 70 51.450 -20.020 -8.449 1.00 0.00 C ATOM 1067 C GLN A 70 51.689 -20.713 -7.115 1.00 0.00 C ATOM 1068 O GLN A 70 52.773 -21.227 -6.857 1.00 0.00 O ATOM 1069 CB GLN A 70 51.581 -18.507 -8.297 1.00 0.00 C ATOM 1070 CG GLN A 70 53.007 -17.995 -8.426 1.00 0.00 C ATOM 1071 CD GLN A 70 53.728 -17.863 -7.096 1.00 0.00 C ATOM 1072 OE1 GLN A 70 53.703 -16.805 -6.465 1.00 0.00 O ATOM 1073 NE2 GLN A 70 54.369 -18.931 -6.657 1.00 0.00 N ATOM 0 H GLN A 70 49.490 -19.549 -9.014 1.00 0.00 H new ATOM 0 HA GLN A 70 52.201 -20.370 -9.157 1.00 0.00 H new ATOM 0 HB2 GLN A 70 50.962 -18.021 -9.051 1.00 0.00 H new ATOM 0 HB3 GLN A 70 51.187 -18.214 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 70 53.570 -18.671 -9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 70 52.992 -17.023 -8.920 1.00 0.00 H new ATOM 0 HE21 GLN A 70 54.367 -19.789 -7.208 1.00 0.00 H new ATOM 0 HE22 GLN A 70 54.866 -18.897 -5.767 1.00 0.00 H new ATOM 1082 N LEU A 71 50.657 -20.721 -6.283 1.00 0.00 N ATOM 1083 CA LEU A 71 50.717 -21.377 -4.981 1.00 0.00 C ATOM 1084 C LEU A 71 50.965 -22.876 -5.155 1.00 0.00 C ATOM 1085 O LEU A 71 51.732 -23.477 -4.406 1.00 0.00 O ATOM 1086 CB LEU A 71 49.408 -21.122 -4.215 1.00 0.00 C ATOM 1087 CG LEU A 71 49.422 -21.414 -2.708 1.00 0.00 C ATOM 1088 CD1 LEU A 71 48.276 -20.683 -2.025 1.00 0.00 C ATOM 1089 CD2 LEU A 71 49.311 -22.907 -2.433 1.00 0.00 C ATOM 0 H LEU A 71 49.761 -20.278 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 71 51.545 -20.963 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 71 49.129 -20.078 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 71 48.624 -21.726 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 71 50.372 -21.061 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 71 48.294 -20.896 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 71 48.383 -19.610 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 71 47.328 -21.018 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 71 49.324 -23.081 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 71 48.378 -23.286 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 71 50.152 -23.425 -2.894 1.00 0.00 H new ATOM 1101 N LYS A 72 50.308 -23.472 -6.145 1.00 0.00 N ATOM 1102 CA LYS A 72 50.479 -24.893 -6.427 1.00 0.00 C ATOM 1103 C LYS A 72 51.849 -25.167 -7.041 1.00 0.00 C ATOM 1104 O LYS A 72 52.582 -26.045 -6.583 1.00 0.00 O ATOM 1105 CB LYS A 72 49.392 -25.390 -7.381 1.00 0.00 C ATOM 1106 CG LYS A 72 47.977 -25.235 -6.847 1.00 0.00 C ATOM 1107 CD LYS A 72 47.743 -26.074 -5.603 1.00 0.00 C ATOM 1108 CE LYS A 72 46.327 -25.897 -5.083 1.00 0.00 C ATOM 1109 NZ LYS A 72 45.305 -26.411 -6.036 1.00 0.00 N ATOM 0 H LYS A 72 49.653 -22.994 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 72 50.400 -25.427 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 72 49.475 -24.847 -8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 72 49.572 -26.442 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 72 47.789 -24.186 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 72 47.264 -25.525 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 72 47.922 -27.125 -5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 72 48.456 -25.790 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 72 46.225 -26.416 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 72 46.142 -24.840 -4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 44.374 -26.425 -5.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 45.267 -25.792 -6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 45.559 -27.375 -6.331 1.00 0.00 H new