USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 HIS : no HD1:sc= -9.58! C(o=-9.6!,f=-14!) USER MOD Single : A 16 SER OG : rot 161:sc= -3.57! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc=-0.00736 X(o=-0.0074,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.227 K(o=-0.23,f=-2.5!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.101 F(o=-1.1,f=-0.1) USER MOD Single : A 38 SER OG : rot 47:sc= 0.0437 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -155:sc=-0.00231 (180deg=-0.461) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -5.98 K(o=-6,f=-11!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0973 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00617 X(o=-0.0062,f=-0.33) USER MOD Single : A 73 GLN : amide:sc= -0.68 K(o=-0.68,f=-3.2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0.292 X(o=0.29,f=0) USER MOD Single : A 82 THR OG1 : rot 70:sc= -0.72 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc=-0.00222 X(o=-0.0022,f=0.21) USER MOD Single : A 92 ASN : amide:sc= -1.53! X(o=-1.5!,f=-1.7) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -5.179 -18.367 3.883 1.00 0.00 N ATOM 151 CA HIS A 14 -3.787 -18.261 3.479 1.00 0.00 C ATOM 152 C HIS A 14 -3.049 -17.314 4.427 1.00 0.00 C ATOM 153 O HIS A 14 -3.614 -16.322 4.885 1.00 0.00 O ATOM 154 CB HIS A 14 -3.678 -17.837 2.013 1.00 0.00 C ATOM 155 CG HIS A 14 -2.413 -18.302 1.332 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.294 -17.499 1.199 1.00 0.00 N ATOM 157 CD2 HIS A 14 -2.102 -19.496 0.749 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.358 -18.188 0.562 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.861 -19.425 0.284 1.00 0.00 N ATOM 0 HA HIS A 14 -3.308 -19.237 3.551 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.537 -18.228 1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.731 -16.750 1.955 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.755 -20.353 0.678 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.630 -17.832 0.308 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.365 -20.172 -0.201 1.00 0.00 H new ATOM 167 N PRO A 15 -1.763 -17.662 4.700 1.00 0.00 N ATOM 168 CA PRO A 15 -0.941 -16.854 5.585 1.00 0.00 C ATOM 169 C PRO A 15 -0.482 -15.571 4.889 1.00 0.00 C ATOM 170 O PRO A 15 -0.108 -14.602 5.548 1.00 0.00 O ATOM 171 CB PRO A 15 0.214 -17.759 5.984 1.00 0.00 C ATOM 172 CG PRO A 15 0.247 -18.872 4.950 1.00 0.00 C ATOM 173 CD PRO A 15 -1.060 -18.829 4.176 1.00 0.00 C ATOM 0 HA PRO A 15 -1.484 -16.510 6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.155 -17.209 5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.067 -18.161 6.986 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.094 -18.742 4.276 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.371 -19.840 5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.883 -18.736 3.105 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.639 -19.740 4.326 1.00 0.00 H new ATOM 181 N SER A 16 -0.526 -15.606 3.565 1.00 0.00 N ATOM 182 CA SER A 16 -0.119 -14.459 2.772 1.00 0.00 C ATOM 183 C SER A 16 -1.287 -13.480 2.631 1.00 0.00 C ATOM 184 O SER A 16 -1.102 -12.269 2.734 1.00 0.00 O ATOM 185 CB SER A 16 0.380 -14.892 1.392 1.00 0.00 C ATOM 186 OG SER A 16 1.589 -14.230 1.031 1.00 0.00 O ATOM 0 H SER A 16 -0.837 -16.411 3.022 1.00 0.00 H new ATOM 0 HA SER A 16 0.704 -13.962 3.286 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.541 -15.970 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.386 -14.680 0.646 1.00 0.00 H new ATOM 0 HG SER A 16 2.037 -14.733 0.319 1.00 0.00 H new ATOM 192 N ILE A 17 -2.464 -14.042 2.398 1.00 0.00 N ATOM 193 CA ILE A 17 -3.661 -13.235 2.242 1.00 0.00 C ATOM 194 C ILE A 17 -3.969 -12.526 3.563 1.00 0.00 C ATOM 195 O ILE A 17 -4.314 -11.346 3.572 1.00 0.00 O ATOM 196 CB ILE A 17 -4.818 -14.087 1.717 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.514 -14.621 0.316 1.00 0.00 C ATOM 198 CG2 ILE A 17 -6.136 -13.311 1.762 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.555 -13.495 -0.720 1.00 0.00 C ATOM 0 H ILE A 17 -2.614 -15.047 2.314 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.502 -12.459 1.493 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.931 -14.950 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.531 -15.092 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.239 -15.391 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.942 -13.940 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.354 -13.023 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.053 -12.417 1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.336 -13.901 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.546 -13.042 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.812 -12.739 -0.465 1.00 0.00 H new ATOM 211 N SER A 18 -3.833 -13.277 4.646 1.00 0.00 N ATOM 212 CA SER A 18 -4.093 -12.736 5.969 1.00 0.00 C ATOM 213 C SER A 18 -3.118 -11.596 6.268 1.00 0.00 C ATOM 214 O SER A 18 -3.376 -10.766 7.140 1.00 0.00 O ATOM 215 CB SER A 18 -3.983 -13.823 7.040 1.00 0.00 C ATOM 216 OG SER A 18 -4.203 -13.307 8.350 1.00 0.00 O ATOM 0 H SER A 18 -3.546 -14.256 4.634 1.00 0.00 H new ATOM 0 HA SER A 18 -5.112 -12.349 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.709 -14.610 6.834 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.995 -14.280 6.992 1.00 0.00 H new ATOM 0 HG SER A 18 -4.126 -14.032 9.005 1.00 0.00 H new ATOM 222 N ARG A 19 -2.018 -11.590 5.529 1.00 0.00 N ATOM 223 CA ARG A 19 -1.004 -10.565 5.705 1.00 0.00 C ATOM 224 C ARG A 19 -1.377 -9.308 4.915 1.00 0.00 C ATOM 225 O ARG A 19 -1.248 -8.194 5.419 1.00 0.00 O ATOM 226 CB ARG A 19 0.367 -11.062 5.241 1.00 0.00 C ATOM 227 CG ARG A 19 1.399 -9.933 5.274 1.00 0.00 C ATOM 228 CD ARG A 19 1.817 -9.615 6.711 1.00 0.00 C ATOM 229 NE ARG A 19 3.290 -9.690 6.839 1.00 0.00 N ATOM 230 CZ ARG A 19 3.958 -9.459 7.977 1.00 0.00 C ATOM 231 NH1 ARG A 19 3.289 -9.138 9.093 1.00 0.00 N ATOM 232 NH2 ARG A 19 5.295 -9.550 8.000 1.00 0.00 N ATOM 0 H ARG A 19 -1.807 -12.279 4.807 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.952 -10.328 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.697 -11.880 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.290 -11.460 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.275 -10.219 4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.982 -9.041 4.807 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.470 -8.619 6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.348 -10.318 7.399 1.00 0.00 H new ATOM 0 HE ARG A 19 3.830 -9.933 6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.271 -9.070 9.076 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.797 -8.962 9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.804 -9.795 7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.803 -9.374 8.867 1.00 0.00 H new ATOM 246 N LEU A 20 -1.833 -9.531 3.691 1.00 0.00 N ATOM 247 CA LEU A 20 -2.226 -8.430 2.828 1.00 0.00 C ATOM 248 C LEU A 20 -3.391 -7.674 3.470 1.00 0.00 C ATOM 249 O LEU A 20 -3.416 -6.444 3.464 1.00 0.00 O ATOM 250 CB LEU A 20 -2.526 -8.938 1.416 1.00 0.00 C ATOM 251 CG LEU A 20 -1.311 -9.186 0.520 1.00 0.00 C ATOM 252 CD1 LEU A 20 -0.483 -10.365 1.035 1.00 0.00 C ATOM 253 CD2 LEU A 20 -1.734 -9.376 -0.938 1.00 0.00 C ATOM 0 H LEU A 20 -1.939 -10.457 3.277 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.406 -7.720 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.088 -9.868 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.176 -8.216 0.922 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.673 -8.303 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.375 -10.521 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.135 -10.151 2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.099 -11.264 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.851 -9.551 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.404 -10.232 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.248 -8.481 -1.287 1.00 0.00 H new ATOM 265 N GLN A 21 -4.327 -8.441 4.010 1.00 0.00 N ATOM 266 CA GLN A 21 -5.491 -7.860 4.655 1.00 0.00 C ATOM 267 C GLN A 21 -5.059 -6.884 5.751 1.00 0.00 C ATOM 268 O GLN A 21 -5.797 -5.962 6.094 1.00 0.00 O ATOM 269 CB GLN A 21 -6.406 -8.948 5.220 1.00 0.00 C ATOM 270 CG GLN A 21 -7.551 -9.258 4.253 1.00 0.00 C ATOM 271 CD GLN A 21 -8.778 -9.778 5.005 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.476 -9.047 5.688 1.00 0.00 O ATOM 273 NE2 GLN A 21 -9.000 -11.079 4.842 1.00 0.00 N ATOM 0 H GLN A 21 -4.302 -9.461 4.014 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.058 -7.307 3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.828 -9.853 5.407 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.812 -8.625 6.179 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.815 -8.359 3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.225 -10.000 3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.376 -11.633 4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.794 -11.523 5.303 1.00 0.00 H new ATOM 282 N GLU A 22 -3.863 -7.120 6.271 1.00 0.00 N ATOM 283 CA GLU A 22 -3.323 -6.274 7.322 1.00 0.00 C ATOM 284 C GLU A 22 -2.461 -5.163 6.718 1.00 0.00 C ATOM 285 O GLU A 22 -2.159 -4.175 7.386 1.00 0.00 O ATOM 286 CB GLU A 22 -2.526 -7.098 8.334 1.00 0.00 C ATOM 287 CG GLU A 22 -3.364 -7.397 9.579 1.00 0.00 C ATOM 288 CD GLU A 22 -2.561 -7.137 10.856 1.00 0.00 C ATOM 289 OE1 GLU A 22 -1.687 -7.977 11.158 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.841 -6.103 11.500 1.00 0.00 O ATOM 0 H GLU A 22 -3.253 -7.885 5.984 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.155 -5.813 7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.204 -8.033 7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.624 -6.556 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.260 -6.777 9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.695 -8.435 9.558 1.00 0.00 H new ATOM 297 N ILE A 23 -2.090 -5.363 5.462 1.00 0.00 N ATOM 298 CA ILE A 23 -1.269 -4.390 4.761 1.00 0.00 C ATOM 299 C ILE A 23 -2.174 -3.410 4.012 1.00 0.00 C ATOM 300 O ILE A 23 -1.942 -2.203 4.036 1.00 0.00 O ATOM 301 CB ILE A 23 -0.251 -5.097 3.863 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.757 -5.891 4.696 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.436 -4.102 2.926 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.536 -6.875 3.821 1.00 0.00 C ATOM 0 H ILE A 23 -2.343 -6.184 4.912 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.683 -3.805 5.469 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.785 -5.812 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.450 -5.206 5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.236 -6.434 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.155 -4.630 2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.311 -3.620 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.955 -3.346 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.246 -7.427 4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.842 -7.573 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.076 -6.327 3.049 1.00 0.00 H new ATOM 316 N GLN A 24 -3.187 -3.966 3.365 1.00 0.00 N ATOM 317 CA GLN A 24 -4.128 -3.156 2.610 1.00 0.00 C ATOM 318 C GLN A 24 -4.865 -2.192 3.542 1.00 0.00 C ATOM 319 O GLN A 24 -4.681 -0.978 3.456 1.00 0.00 O ATOM 320 CB GLN A 24 -5.116 -4.036 1.841 1.00 0.00 C ATOM 321 CG GLN A 24 -4.652 -4.249 0.398 1.00 0.00 C ATOM 322 CD GLN A 24 -5.847 -4.352 -0.552 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.994 -4.203 -0.166 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.514 -4.613 -1.813 1.00 0.00 N ATOM 0 H GLN A 24 -3.377 -4.968 3.348 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.569 -2.570 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.216 -5.000 2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.102 -3.571 1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.010 -3.423 0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.053 -5.158 0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.533 -4.726 -2.068 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.240 -4.700 -2.525 1.00 0.00 H new ATOM 333 N ARG A 25 -5.682 -2.767 4.411 1.00 0.00 N ATOM 334 CA ARG A 25 -6.447 -1.973 5.358 1.00 0.00 C ATOM 335 C ARG A 25 -5.596 -0.818 5.891 1.00 0.00 C ATOM 336 O ARG A 25 -6.115 0.262 6.168 1.00 0.00 O ATOM 337 CB ARG A 25 -6.927 -2.828 6.533 1.00 0.00 C ATOM 338 CG ARG A 25 -5.760 -3.209 7.447 1.00 0.00 C ATOM 339 CD ARG A 25 -6.256 -3.949 8.690 1.00 0.00 C ATOM 340 NE ARG A 25 -5.311 -3.747 9.811 1.00 0.00 N ATOM 341 CZ ARG A 25 -5.606 -3.989 11.095 1.00 0.00 C ATOM 342 NH1 ARG A 25 -6.821 -4.442 11.430 1.00 0.00 N ATOM 343 NH2 ARG A 25 -4.685 -3.777 12.045 1.00 0.00 N ATOM 0 H ARG A 25 -5.831 -3.774 4.480 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.316 -1.577 4.833 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.677 -2.280 7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.409 -3.731 6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.057 -3.838 6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.219 -2.311 7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.246 -3.587 8.968 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.355 -5.013 8.474 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.376 -3.402 9.592 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.522 -4.603 10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.045 -4.626 12.408 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.760 -3.431 11.790 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.909 -3.961 13.023 1.00 0.00 H new ATOM 357 N GLU A 26 -4.305 -1.086 6.018 1.00 0.00 N ATOM 358 CA GLU A 26 -3.378 -0.082 6.513 1.00 0.00 C ATOM 359 C GLU A 26 -3.240 1.057 5.502 1.00 0.00 C ATOM 360 O GLU A 26 -3.774 2.146 5.711 1.00 0.00 O ATOM 361 CB GLU A 26 -2.016 -0.703 6.829 1.00 0.00 C ATOM 362 CG GLU A 26 -2.028 -1.385 8.199 1.00 0.00 C ATOM 363 CD GLU A 26 -1.535 -0.432 9.290 1.00 0.00 C ATOM 364 OE1 GLU A 26 -2.011 0.723 9.292 1.00 0.00 O ATOM 365 OE2 GLU A 26 -0.693 -0.882 10.097 1.00 0.00 O ATOM 0 H GLU A 26 -3.879 -1.983 5.787 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.778 0.328 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.757 -1.430 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.247 0.069 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.038 -1.720 8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.395 -2.272 8.173 1.00 0.00 H new ATOM 372 N VAL A 27 -2.522 0.768 4.427 1.00 0.00 N ATOM 373 CA VAL A 27 -2.307 1.755 3.382 1.00 0.00 C ATOM 374 C VAL A 27 -3.642 2.413 3.026 1.00 0.00 C ATOM 375 O VAL A 27 -3.683 3.592 2.675 1.00 0.00 O ATOM 376 CB VAL A 27 -1.622 1.104 2.179 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.430 0.252 2.622 1.00 0.00 C ATOM 378 CG2 VAL A 27 -2.617 0.274 1.365 1.00 0.00 C ATOM 0 H VAL A 27 -2.081 -0.136 4.257 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.639 2.542 3.732 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.245 1.900 1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.039 -0.200 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.295 0.881 3.139 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.774 -0.533 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.105 -0.178 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.037 -0.510 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.419 0.918 1.004 1.00 0.00 H new ATOM 388 N LYS A 28 -4.701 1.624 3.129 1.00 0.00 N ATOM 389 CA LYS A 28 -6.033 2.115 2.823 1.00 0.00 C ATOM 390 C LYS A 28 -6.525 2.994 3.974 1.00 0.00 C ATOM 391 O LYS A 28 -7.171 4.016 3.747 1.00 0.00 O ATOM 392 CB LYS A 28 -6.970 0.951 2.493 1.00 0.00 C ATOM 393 CG LYS A 28 -7.267 0.894 0.994 1.00 0.00 C ATOM 394 CD LYS A 28 -8.222 2.016 0.580 1.00 0.00 C ATOM 395 CE LYS A 28 -8.248 2.181 -0.940 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.000 1.073 -1.570 1.00 0.00 N ATOM 0 H LYS A 28 -4.663 0.647 3.420 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.013 2.741 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.517 0.013 2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.902 1.061 3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.337 0.978 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.705 -0.072 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.226 1.796 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.913 2.952 1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.708 3.134 -1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.229 2.203 -1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.007 1.201 -2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.544 0.168 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.977 1.070 -1.214 1.00 0.00 H new ATOM 410 N ALA A 29 -6.202 2.564 5.185 1.00 0.00 N ATOM 411 CA ALA A 29 -6.603 3.299 6.372 1.00 0.00 C ATOM 412 C ALA A 29 -5.822 4.613 6.441 1.00 0.00 C ATOM 413 O ALA A 29 -6.087 5.453 7.300 1.00 0.00 O ATOM 414 CB ALA A 29 -6.387 2.427 7.610 1.00 0.00 C ATOM 0 H ALA A 29 -5.667 1.715 5.369 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.663 3.547 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.688 2.979 8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.986 1.520 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.333 2.160 7.688 1.00 0.00 H new ATOM 420 N ILE A 30 -4.874 4.750 5.525 1.00 0.00 N ATOM 421 CA ILE A 30 -4.053 5.948 5.472 1.00 0.00 C ATOM 422 C ILE A 30 -4.207 6.605 4.099 1.00 0.00 C ATOM 423 O ILE A 30 -3.629 7.661 3.844 1.00 0.00 O ATOM 424 CB ILE A 30 -2.604 5.620 5.838 1.00 0.00 C ATOM 425 CG1 ILE A 30 -2.014 4.590 4.873 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.496 5.168 7.296 1.00 0.00 C ATOM 427 CD1 ILE A 30 -1.547 5.257 3.577 1.00 0.00 C ATOM 0 H ILE A 30 -4.656 4.052 4.814 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.388 6.674 6.213 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.012 6.530 5.738 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.175 4.081 5.347 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.761 3.829 4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.456 4.941 7.530 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.850 5.964 7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.105 4.276 7.447 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.132 4.503 2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.393 5.744 3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.783 6.000 3.805 1.00 0.00 H new ATOM 439 N GLU A 31 -4.989 5.954 3.251 1.00 0.00 N ATOM 440 CA GLU A 31 -5.226 6.463 1.910 1.00 0.00 C ATOM 441 C GLU A 31 -5.773 7.890 1.973 1.00 0.00 C ATOM 442 O GLU A 31 -5.282 8.778 1.278 1.00 0.00 O ATOM 443 CB GLU A 31 -6.176 5.546 1.136 1.00 0.00 C ATOM 444 CG GLU A 31 -7.050 6.350 0.172 1.00 0.00 C ATOM 445 CD GLU A 31 -8.112 5.460 -0.477 1.00 0.00 C ATOM 446 OE1 GLU A 31 -9.073 5.107 0.240 1.00 0.00 O ATOM 447 OE2 GLU A 31 -7.939 5.153 -1.676 1.00 0.00 O ATOM 0 H GLU A 31 -5.467 5.079 3.466 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.276 6.482 1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.600 4.806 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.808 4.998 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.533 7.167 0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.427 6.801 -0.600 1.00 0.00 H new ATOM 454 N PRO A 32 -6.809 8.072 2.835 1.00 0.00 N ATOM 455 CA PRO A 32 -7.428 9.376 2.997 1.00 0.00 C ATOM 456 C PRO A 32 -6.536 10.307 3.820 1.00 0.00 C ATOM 457 O PRO A 32 -6.808 11.502 3.925 1.00 0.00 O ATOM 458 CB PRO A 32 -8.767 9.097 3.661 1.00 0.00 C ATOM 459 CG PRO A 32 -8.650 7.707 4.266 1.00 0.00 C ATOM 460 CD PRO A 32 -7.417 7.043 3.674 1.00 0.00 C ATOM 0 HA PRO A 32 -7.569 9.895 2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.985 9.840 4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.579 9.140 2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.566 7.769 5.351 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.542 7.119 4.048 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.732 6.713 4.455 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.683 6.162 3.090 1.00 0.00 H new ATOM 468 N GLN A 33 -5.487 9.725 4.384 1.00 0.00 N ATOM 469 CA GLN A 33 -4.553 10.488 5.194 1.00 0.00 C ATOM 470 C GLN A 33 -3.568 11.242 4.299 1.00 0.00 C ATOM 471 O GLN A 33 -2.971 12.231 4.723 1.00 0.00 O ATOM 472 CB GLN A 33 -3.814 9.580 6.180 1.00 0.00 C ATOM 473 CG GLN A 33 -4.425 9.678 7.579 1.00 0.00 C ATOM 474 CD GLN A 33 -3.376 9.399 8.657 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.571 8.377 8.376 1.00 0.00 O flip ATOM 476 NE2 GLN A 33 -3.301 10.067 9.675 1.00 0.00 N flip ATOM 0 H GLN A 33 -5.264 8.734 4.296 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.117 11.217 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.857 8.548 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.761 9.860 6.219 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.847 10.672 7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.245 8.966 7.672 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.951 10.838 9.828 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.588 9.854 10.373 1.00 0.00 H new ATOM 485 N VAL A 34 -3.428 10.748 3.078 1.00 0.00 N ATOM 486 CA VAL A 34 -2.526 11.363 2.120 1.00 0.00 C ATOM 487 C VAL A 34 -3.330 12.237 1.156 1.00 0.00 C ATOM 488 O VAL A 34 -2.922 13.351 0.833 1.00 0.00 O ATOM 489 CB VAL A 34 -1.705 10.286 1.408 1.00 0.00 C ATOM 490 CG1 VAL A 34 -1.775 8.956 2.161 1.00 0.00 C ATOM 491 CG2 VAL A 34 -2.160 10.120 -0.043 1.00 0.00 C ATOM 0 H VAL A 34 -3.925 9.928 2.730 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.814 12.012 2.629 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.664 10.610 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.183 8.208 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.380 9.087 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.812 8.624 2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.560 9.349 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.210 9.829 -0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.034 11.063 -0.574 1.00 0.00 H new ATOM 501 N VAL A 35 -4.460 11.697 0.722 1.00 0.00 N ATOM 502 CA VAL A 35 -5.326 12.414 -0.199 1.00 0.00 C ATOM 503 C VAL A 35 -5.865 13.671 0.487 1.00 0.00 C ATOM 504 O VAL A 35 -6.045 14.704 -0.155 1.00 0.00 O ATOM 505 CB VAL A 35 -6.434 11.487 -0.704 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.393 12.234 -1.633 1.00 0.00 C ATOM 507 CG2 VAL A 35 -5.846 10.256 -1.397 1.00 0.00 C ATOM 0 H VAL A 35 -4.796 10.772 0.991 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.766 12.738 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.004 11.144 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.171 11.552 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.850 13.063 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.842 12.619 -2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.655 9.614 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.240 10.571 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.223 9.704 -0.692 1.00 0.00 H new ATOM 517 N GLY A 36 -6.107 13.541 1.783 1.00 0.00 N ATOM 518 CA GLY A 36 -6.622 14.653 2.563 1.00 0.00 C ATOM 519 C GLY A 36 -5.487 15.402 3.266 1.00 0.00 C ATOM 520 O GLY A 36 -5.733 16.231 4.140 1.00 0.00 O ATOM 0 H GLY A 36 -5.956 12.682 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.166 15.338 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.333 14.285 3.303 1.00 0.00 H new ATOM 524 N PHE A 37 -4.268 15.081 2.858 1.00 0.00 N ATOM 525 CA PHE A 37 -3.095 15.713 3.437 1.00 0.00 C ATOM 526 C PHE A 37 -3.039 17.199 3.080 1.00 0.00 C ATOM 527 O PHE A 37 -3.737 17.650 2.172 1.00 0.00 O ATOM 528 CB PHE A 37 -1.871 15.012 2.843 1.00 0.00 C ATOM 529 CG PHE A 37 -0.534 15.574 3.332 1.00 0.00 C ATOM 530 CD1 PHE A 37 -0.224 15.538 4.655 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.343 16.111 2.442 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.017 16.060 5.108 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.584 16.633 2.895 1.00 0.00 C ATOM 534 CZ PHE A 37 1.894 16.596 4.219 1.00 0.00 C ATOM 0 H PHE A 37 -4.067 14.392 2.134 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.126 15.629 4.523 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.919 13.951 3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.911 15.091 1.757 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.921 15.113 5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.096 16.141 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.264 16.031 6.159 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.281 17.059 2.189 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.837 16.993 4.564 1.00 0.00 H new ATOM 544 N SER A 38 -2.204 17.920 3.813 1.00 0.00 N ATOM 545 CA SER A 38 -2.048 19.347 3.585 1.00 0.00 C ATOM 546 C SER A 38 -0.744 19.839 4.216 1.00 0.00 C ATOM 547 O SER A 38 -0.733 20.278 5.365 1.00 0.00 O ATOM 548 CB SER A 38 -3.238 20.127 4.148 1.00 0.00 C ATOM 549 OG SER A 38 -4.115 20.579 3.120 1.00 0.00 O ATOM 0 H SER A 38 -1.628 17.543 4.566 1.00 0.00 H new ATOM 0 HA SER A 38 -2.011 19.520 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.790 19.494 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.874 20.983 4.716 1.00 0.00 H new ATOM 0 HG SER A 38 -4.302 19.842 2.502 1.00 0.00 H new ATOM 555 N GLY A 39 0.324 19.748 3.437 1.00 0.00 N ATOM 556 CA GLY A 39 1.630 20.179 3.905 1.00 0.00 C ATOM 557 C GLY A 39 2.598 20.364 2.734 1.00 0.00 C ATOM 558 O GLY A 39 2.239 20.950 1.714 1.00 0.00 O ATOM 0 H GLY A 39 0.311 19.382 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.533 21.116 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.032 19.443 4.601 1.00 0.00 H new ATOM 562 N LEU A 40 3.807 19.854 2.921 1.00 0.00 N ATOM 563 CA LEU A 40 4.829 19.957 1.893 1.00 0.00 C ATOM 564 C LEU A 40 5.545 18.612 1.756 1.00 0.00 C ATOM 565 O LEU A 40 5.176 17.639 2.412 1.00 0.00 O ATOM 566 CB LEU A 40 5.770 21.127 2.189 1.00 0.00 C ATOM 567 CG LEU A 40 5.338 22.489 1.642 1.00 0.00 C ATOM 568 CD1 LEU A 40 5.907 23.626 2.493 1.00 0.00 C ATOM 569 CD2 LEU A 40 5.716 22.633 0.166 1.00 0.00 C ATOM 0 H LEU A 40 4.101 19.369 3.768 1.00 0.00 H new ATOM 0 HA LEU A 40 4.377 20.178 0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.884 21.211 3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.753 20.889 1.782 1.00 0.00 H new ATOM 0 HG LEU A 40 4.252 22.553 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.585 24.583 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.546 23.530 3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.996 23.576 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.397 23.610 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.796 22.540 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.224 21.852 -0.414 1.00 0.00 H new ATOM 581 N SER A 41 6.555 18.600 0.899 1.00 0.00 N ATOM 582 CA SER A 41 7.326 17.390 0.668 1.00 0.00 C ATOM 583 C SER A 41 8.558 17.372 1.575 1.00 0.00 C ATOM 584 O SER A 41 9.291 18.357 1.651 1.00 0.00 O ATOM 585 CB SER A 41 7.745 17.276 -0.799 1.00 0.00 C ATOM 586 OG SER A 41 8.915 18.038 -1.081 1.00 0.00 O ATOM 0 H SER A 41 6.858 19.409 0.356 1.00 0.00 H new ATOM 0 HA SER A 41 6.696 16.533 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.926 16.229 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.929 17.616 -1.437 1.00 0.00 H new ATOM 0 HG SER A 41 9.151 17.938 -2.027 1.00 0.00 H new ATOM 652 N TYR A 46 4.845 14.589 6.247 1.00 0.00 N ATOM 653 CA TYR A 46 4.885 13.874 4.982 1.00 0.00 C ATOM 654 C TYR A 46 5.688 12.578 5.109 1.00 0.00 C ATOM 655 O TYR A 46 5.386 11.589 4.443 1.00 0.00 O ATOM 656 CB TYR A 46 5.593 14.804 3.995 1.00 0.00 C ATOM 657 CG TYR A 46 5.821 14.187 2.613 1.00 0.00 C ATOM 658 CD1 TYR A 46 6.978 13.480 2.356 1.00 0.00 C ATOM 659 CD2 TYR A 46 4.870 14.338 1.625 1.00 0.00 C ATOM 660 CE1 TYR A 46 7.193 12.899 1.056 1.00 0.00 C ATOM 661 CE2 TYR A 46 5.085 13.757 0.324 1.00 0.00 C ATOM 662 CZ TYR A 46 6.235 13.067 0.104 1.00 0.00 C ATOM 663 OH TYR A 46 6.438 12.518 -1.124 1.00 0.00 O ATOM 0 HA TYR A 46 3.878 13.609 4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.004 15.714 3.883 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.556 15.097 4.414 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.722 13.362 3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.965 14.891 1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.094 12.343 0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.349 13.867 -0.459 1.00 0.00 H new ATOM 0 HH TYR A 46 5.672 12.717 -1.702 1.00 0.00 H new ATOM 673 N LYS A 47 6.694 12.625 5.970 1.00 0.00 N ATOM 674 CA LYS A 47 7.542 11.466 6.194 1.00 0.00 C ATOM 675 C LYS A 47 6.682 10.293 6.668 1.00 0.00 C ATOM 676 O LYS A 47 6.625 9.255 6.011 1.00 0.00 O ATOM 677 CB LYS A 47 8.685 11.816 7.149 1.00 0.00 C ATOM 678 CG LYS A 47 9.643 12.825 6.511 1.00 0.00 C ATOM 679 CD LYS A 47 10.174 12.307 5.173 1.00 0.00 C ATOM 680 CE LYS A 47 11.664 12.615 5.018 1.00 0.00 C ATOM 681 NZ LYS A 47 11.928 14.047 5.280 1.00 0.00 N ATOM 0 H LYS A 47 6.941 13.447 6.521 1.00 0.00 H new ATOM 0 HA LYS A 47 8.018 11.156 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.279 12.229 8.072 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.230 10.911 7.417 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.129 13.774 6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.476 13.018 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.013 11.231 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.617 12.765 4.355 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.242 12.001 5.708 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.992 12.357 4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.796 14.336 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.128 14.616 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.046 14.197 6.302 1.00 0.00 H new ATOM 695 N ARG A 48 6.033 10.498 7.804 1.00 0.00 N ATOM 696 CA ARG A 48 5.178 9.470 8.374 1.00 0.00 C ATOM 697 C ARG A 48 4.363 8.788 7.273 1.00 0.00 C ATOM 698 O ARG A 48 4.593 7.622 6.958 1.00 0.00 O ATOM 699 CB ARG A 48 4.224 10.061 9.414 1.00 0.00 C ATOM 700 CG ARG A 48 3.633 8.964 10.302 1.00 0.00 C ATOM 701 CD ARG A 48 4.637 8.524 11.370 1.00 0.00 C ATOM 702 NE ARG A 48 4.957 9.660 12.262 1.00 0.00 N ATOM 703 CZ ARG A 48 5.885 9.618 13.228 1.00 0.00 C ATOM 704 NH1 ARG A 48 6.589 8.497 13.433 1.00 0.00 N ATOM 705 NH2 ARG A 48 6.108 10.698 13.990 1.00 0.00 N ATOM 0 H ARG A 48 6.082 11.361 8.346 1.00 0.00 H new ATOM 0 HA ARG A 48 5.820 8.737 8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.756 10.786 10.030 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.420 10.599 8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.724 9.329 10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.350 8.108 9.689 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.224 7.700 11.951 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.547 8.156 10.896 1.00 0.00 H new ATOM 0 HE ARG A 48 4.439 10.529 12.134 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.419 7.675 12.854 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.295 8.466 14.168 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.571 11.551 13.835 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.814 10.666 14.725 1.00 0.00 H new ATOM 719 N LEU A 49 3.427 9.545 6.719 1.00 0.00 N ATOM 720 CA LEU A 49 2.576 9.028 5.661 1.00 0.00 C ATOM 721 C LEU A 49 3.419 8.187 4.700 1.00 0.00 C ATOM 722 O LEU A 49 3.166 6.995 4.528 1.00 0.00 O ATOM 723 CB LEU A 49 1.819 10.168 4.977 1.00 0.00 C ATOM 724 CG LEU A 49 0.812 10.922 5.848 1.00 0.00 C ATOM 725 CD1 LEU A 49 -0.183 11.703 4.986 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.108 9.973 6.819 1.00 0.00 C ATOM 0 H LEU A 49 3.239 10.512 6.983 1.00 0.00 H new ATOM 0 HA LEU A 49 1.811 8.371 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.547 10.884 4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.291 9.761 4.115 1.00 0.00 H new ATOM 0 HG LEU A 49 1.358 11.650 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.887 12.230 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.356 12.424 4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.727 11.012 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.602 10.535 7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.423 9.205 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.847 9.502 7.468 1.00 0.00 H new ATOM 738 N GLU A 50 4.403 8.840 4.099 1.00 0.00 N ATOM 739 CA GLU A 50 5.284 8.166 3.161 1.00 0.00 C ATOM 740 C GLU A 50 5.825 6.873 3.774 1.00 0.00 C ATOM 741 O GLU A 50 5.795 5.821 3.139 1.00 0.00 O ATOM 742 CB GLU A 50 6.426 9.086 2.725 1.00 0.00 C ATOM 743 CG GLU A 50 7.650 8.275 2.293 1.00 0.00 C ATOM 744 CD GLU A 50 8.592 9.119 1.433 1.00 0.00 C ATOM 745 OE1 GLU A 50 8.993 10.198 1.921 1.00 0.00 O ATOM 746 OE2 GLU A 50 8.890 8.667 0.307 1.00 0.00 O ATOM 0 H GLU A 50 4.609 9.828 4.244 1.00 0.00 H new ATOM 0 HA GLU A 50 4.708 7.909 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.094 9.717 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.697 9.750 3.546 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.181 7.915 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.329 7.397 1.733 1.00 0.00 H new ATOM 753 N ARG A 51 6.308 6.996 5.002 1.00 0.00 N ATOM 754 CA ARG A 51 6.855 5.850 5.709 1.00 0.00 C ATOM 755 C ARG A 51 5.891 4.665 5.624 1.00 0.00 C ATOM 756 O ARG A 51 6.279 3.572 5.212 1.00 0.00 O ATOM 757 CB ARG A 51 7.115 6.182 7.179 1.00 0.00 C ATOM 758 CG ARG A 51 8.607 6.095 7.505 1.00 0.00 C ATOM 759 CD ARG A 51 9.099 7.380 8.175 1.00 0.00 C ATOM 760 NE ARG A 51 10.301 7.099 8.990 1.00 0.00 N ATOM 761 CZ ARG A 51 11.156 8.038 9.417 1.00 0.00 C ATOM 762 NH1 ARG A 51 10.946 9.325 9.109 1.00 0.00 N ATOM 763 NH2 ARG A 51 12.221 7.690 10.153 1.00 0.00 N ATOM 0 H ARG A 51 6.332 7.871 5.525 1.00 0.00 H new ATOM 0 HA ARG A 51 7.801 5.589 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.749 7.185 7.399 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.559 5.493 7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.790 5.245 8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.173 5.918 6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.330 8.129 7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.312 7.796 8.804 1.00 0.00 H new ATOM 0 HE ARG A 51 10.491 6.129 9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.135 9.590 8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.597 10.040 9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.380 6.710 10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.872 8.405 10.478 1.00 0.00 H new ATOM 777 N ILE A 52 4.653 4.920 6.021 1.00 0.00 N ATOM 778 CA ILE A 52 3.631 3.888 5.996 1.00 0.00 C ATOM 779 C ILE A 52 3.736 3.104 4.686 1.00 0.00 C ATOM 780 O ILE A 52 4.082 1.923 4.691 1.00 0.00 O ATOM 781 CB ILE A 52 2.248 4.496 6.238 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.129 5.035 7.665 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.141 3.492 5.910 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.598 6.470 7.668 1.00 0.00 C ATOM 0 H ILE A 52 4.335 5.827 6.362 1.00 0.00 H new ATOM 0 HA ILE A 52 3.788 3.178 6.808 1.00 0.00 H new ATOM 0 HB ILE A 52 2.124 5.342 5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.463 4.396 8.244 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.104 5.003 8.152 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.169 3.950 6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.215 3.199 4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.250 2.611 6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.523 6.828 8.695 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.279 7.111 7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.613 6.494 7.203 1.00 0.00 H new ATOM 796 N LEU A 53 3.432 3.792 3.595 1.00 0.00 N ATOM 797 CA LEU A 53 3.489 3.175 2.281 1.00 0.00 C ATOM 798 C LEU A 53 4.815 2.428 2.129 1.00 0.00 C ATOM 799 O LEU A 53 4.830 1.209 1.966 1.00 0.00 O ATOM 800 CB LEU A 53 3.242 4.218 1.189 1.00 0.00 C ATOM 801 CG LEU A 53 1.800 4.709 1.044 1.00 0.00 C ATOM 802 CD1 LEU A 53 0.814 3.541 1.110 1.00 0.00 C ATOM 803 CD2 LEU A 53 1.481 5.788 2.081 1.00 0.00 C ATOM 0 H LEU A 53 3.145 4.771 3.594 1.00 0.00 H new ATOM 0 HA LEU A 53 2.694 2.438 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.880 5.079 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.559 3.798 0.235 1.00 0.00 H new ATOM 0 HG LEU A 53 1.692 5.166 0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.203 3.917 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.027 2.839 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.915 3.033 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.450 6.120 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.612 5.380 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.154 6.635 1.944 1.00 0.00 H new ATOM 815 N THR A 54 5.897 3.191 2.189 1.00 0.00 N ATOM 816 CA THR A 54 7.226 2.616 2.061 1.00 0.00 C ATOM 817 C THR A 54 7.337 1.338 2.895 1.00 0.00 C ATOM 818 O THR A 54 7.695 0.283 2.375 1.00 0.00 O ATOM 819 CB THR A 54 8.244 3.688 2.453 1.00 0.00 C ATOM 820 OG1 THR A 54 9.236 3.615 1.432 1.00 0.00 O ATOM 821 CG2 THR A 54 9.002 3.336 3.734 1.00 0.00 C ATOM 0 H THR A 54 5.881 4.202 2.324 1.00 0.00 H new ATOM 0 HA THR A 54 7.429 2.314 1.034 1.00 0.00 H new ATOM 0 HB THR A 54 7.733 4.642 2.584 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.935 4.279 1.607 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.711 4.130 3.967 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.295 3.228 4.557 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.540 2.399 3.592 1.00 0.00 H new ATOM 829 N LYS A 55 7.023 1.476 4.175 1.00 0.00 N ATOM 830 CA LYS A 55 7.084 0.346 5.086 1.00 0.00 C ATOM 831 C LYS A 55 6.229 -0.796 4.532 1.00 0.00 C ATOM 832 O LYS A 55 6.753 -1.845 4.161 1.00 0.00 O ATOM 833 CB LYS A 55 6.692 0.777 6.501 1.00 0.00 C ATOM 834 CG LYS A 55 7.878 0.651 7.460 1.00 0.00 C ATOM 835 CD LYS A 55 8.773 1.891 7.390 1.00 0.00 C ATOM 836 CE LYS A 55 10.222 1.540 7.731 1.00 0.00 C ATOM 837 NZ LYS A 55 11.141 2.583 7.223 1.00 0.00 N ATOM 0 H LYS A 55 6.726 2.353 4.602 1.00 0.00 H new ATOM 0 HA LYS A 55 8.105 -0.027 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.339 1.808 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.865 0.162 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.514 0.518 8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.460 -0.236 7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.725 2.323 6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.406 2.649 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.334 1.442 8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.481 0.575 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.121 2.329 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.045 2.657 6.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.904 3.497 7.659 1.00 0.00 H new ATOM 851 N GLN A 56 4.927 -0.553 4.494 1.00 0.00 N ATOM 852 CA GLN A 56 3.995 -1.548 3.992 1.00 0.00 C ATOM 853 C GLN A 56 4.509 -2.143 2.679 1.00 0.00 C ATOM 854 O GLN A 56 4.531 -3.362 2.513 1.00 0.00 O ATOM 855 CB GLN A 56 2.598 -0.949 3.812 1.00 0.00 C ATOM 856 CG GLN A 56 1.927 -0.708 5.165 1.00 0.00 C ATOM 857 CD GLN A 56 1.553 -2.031 5.836 1.00 0.00 C ATOM 858 OE1 GLN A 56 2.011 -3.098 5.461 1.00 0.00 O ATOM 859 NE2 GLN A 56 0.697 -1.903 6.846 1.00 0.00 N ATOM 0 H GLN A 56 4.496 0.318 4.803 1.00 0.00 H new ATOM 0 HA GLN A 56 3.920 -2.350 4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.669 -0.009 3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.985 -1.621 3.212 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.599 -0.145 5.813 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.033 -0.100 5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.352 -0.980 7.108 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.385 -2.728 7.358 1.00 0.00 H new ATOM 868 N LEU A 57 4.910 -1.255 1.781 1.00 0.00 N ATOM 869 CA LEU A 57 5.422 -1.678 0.489 1.00 0.00 C ATOM 870 C LEU A 57 6.465 -2.778 0.693 1.00 0.00 C ATOM 871 O LEU A 57 6.397 -3.829 0.057 1.00 0.00 O ATOM 872 CB LEU A 57 5.945 -0.475 -0.300 1.00 0.00 C ATOM 873 CG LEU A 57 6.758 -0.797 -1.554 1.00 0.00 C ATOM 874 CD1 LEU A 57 8.138 -1.346 -1.187 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.991 -1.747 -2.477 1.00 0.00 C ATOM 0 H LEU A 57 4.891 -0.245 1.923 1.00 0.00 H new ATOM 0 HA LEU A 57 4.622 -2.105 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.094 0.141 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.563 0.129 0.364 1.00 0.00 H new ATOM 0 HG LEU A 57 6.916 0.130 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.696 -1.567 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.680 -0.605 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.023 -2.258 -0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.592 -1.959 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.781 -2.677 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.053 -1.282 -2.779 1.00 0.00 H new ATOM 887 N PHE A 58 7.406 -2.500 1.584 1.00 0.00 N ATOM 888 CA PHE A 58 8.462 -3.453 1.880 1.00 0.00 C ATOM 889 C PHE A 58 7.879 -4.806 2.293 1.00 0.00 C ATOM 890 O PHE A 58 8.528 -5.839 2.139 1.00 0.00 O ATOM 891 CB PHE A 58 9.266 -2.880 3.049 1.00 0.00 C ATOM 892 CG PHE A 58 10.756 -3.227 3.007 1.00 0.00 C ATOM 893 CD1 PHE A 58 11.157 -4.520 3.131 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.679 -2.241 2.848 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.540 -4.842 3.092 1.00 0.00 C ATOM 896 CE2 PHE A 58 13.062 -2.562 2.810 1.00 0.00 C ATOM 897 CZ PHE A 58 13.463 -3.856 2.933 1.00 0.00 C ATOM 0 H PHE A 58 7.459 -1.628 2.111 1.00 0.00 H new ATOM 0 HA PHE A 58 9.082 -3.608 0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.156 -1.796 3.056 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.843 -3.249 3.983 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.424 -5.303 3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.360 -1.214 2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.858 -5.869 3.189 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.795 -1.779 2.683 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.515 -4.100 2.904 1.00 0.00 H new ATOM 907 N GLU A 59 6.659 -4.756 2.808 1.00 0.00 N ATOM 908 CA GLU A 59 5.981 -5.965 3.244 1.00 0.00 C ATOM 909 C GLU A 59 5.311 -6.656 2.055 1.00 0.00 C ATOM 910 O GLU A 59 5.196 -7.881 2.028 1.00 0.00 O ATOM 911 CB GLU A 59 4.963 -5.657 4.344 1.00 0.00 C ATOM 912 CG GLU A 59 5.577 -5.856 5.731 1.00 0.00 C ATOM 913 CD GLU A 59 4.994 -7.095 6.415 1.00 0.00 C ATOM 914 OE1 GLU A 59 5.069 -8.175 5.792 1.00 0.00 O ATOM 915 OE2 GLU A 59 4.487 -6.932 7.547 1.00 0.00 O ATOM 0 H GLU A 59 6.123 -3.897 2.933 1.00 0.00 H new ATOM 0 HA GLU A 59 6.724 -6.644 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.612 -4.630 4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.093 -6.304 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.658 -5.960 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.390 -4.975 6.345 1.00 0.00 H new ATOM 922 N ILE A 60 4.887 -5.842 1.100 1.00 0.00 N ATOM 923 CA ILE A 60 4.232 -6.359 -0.089 1.00 0.00 C ATOM 924 C ILE A 60 5.213 -7.243 -0.863 1.00 0.00 C ATOM 925 O ILE A 60 4.852 -8.329 -1.313 1.00 0.00 O ATOM 926 CB ILE A 60 3.649 -5.215 -0.921 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.786 -4.293 -0.056 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.880 -5.752 -2.130 1.00 0.00 C ATOM 929 CD1 ILE A 60 2.094 -3.229 -0.910 1.00 0.00 C ATOM 0 H ILE A 60 4.984 -4.827 1.126 1.00 0.00 H new ATOM 0 HA ILE A 60 3.384 -6.986 0.186 1.00 0.00 H new ATOM 0 HB ILE A 60 4.475 -4.617 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.038 -4.882 0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.407 -3.811 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.476 -4.918 -2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.553 -6.334 -2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.063 -6.387 -1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.487 -2.587 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.846 -2.627 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.455 -3.714 -1.648 1.00 0.00 H new ATOM 941 N ASP A 61 6.433 -6.745 -0.993 1.00 0.00 N ATOM 942 CA ASP A 61 7.468 -7.475 -1.704 1.00 0.00 C ATOM 943 C ASP A 61 7.835 -8.732 -0.912 1.00 0.00 C ATOM 944 O ASP A 61 8.296 -9.718 -1.484 1.00 0.00 O ATOM 945 CB ASP A 61 8.733 -6.629 -1.859 1.00 0.00 C ATOM 946 CG ASP A 61 9.699 -7.102 -2.948 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.199 -7.431 -4.045 1.00 0.00 O ATOM 948 OD2 ASP A 61 10.914 -7.123 -2.658 1.00 0.00 O ATOM 0 H ASP A 61 6.728 -5.844 -0.618 1.00 0.00 H new ATOM 0 HA ASP A 61 7.082 -7.730 -2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.440 -5.602 -2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.262 -6.616 -0.906 1.00 0.00 H new ATOM 953 N SER A 62 7.617 -8.655 0.393 1.00 0.00 N ATOM 954 CA SER A 62 7.919 -9.774 1.269 1.00 0.00 C ATOM 955 C SER A 62 6.914 -10.905 1.039 1.00 0.00 C ATOM 956 O SER A 62 7.278 -12.080 1.072 1.00 0.00 O ATOM 957 CB SER A 62 7.905 -9.343 2.737 1.00 0.00 C ATOM 958 OG SER A 62 9.210 -9.357 3.310 1.00 0.00 O ATOM 0 H SER A 62 7.235 -7.835 0.864 1.00 0.00 H new ATOM 0 HA SER A 62 8.921 -10.133 1.033 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.485 -8.340 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.253 -10.008 3.304 1.00 0.00 H new ATOM 0 HG SER A 62 9.159 -9.074 4.247 1.00 0.00 H new ATOM 964 N VAL A 63 5.670 -10.511 0.809 1.00 0.00 N ATOM 965 CA VAL A 63 4.611 -11.477 0.573 1.00 0.00 C ATOM 966 C VAL A 63 5.063 -12.472 -0.498 1.00 0.00 C ATOM 967 O VAL A 63 5.459 -12.073 -1.592 1.00 0.00 O ATOM 968 CB VAL A 63 3.314 -10.753 0.208 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.247 -11.743 -0.265 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.803 -9.916 1.382 1.00 0.00 C ATOM 0 H VAL A 63 5.372 -9.536 0.781 1.00 0.00 H new ATOM 0 HA VAL A 63 4.405 -12.047 1.479 1.00 0.00 H new ATOM 0 HB VAL A 63 3.531 -10.075 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.335 -11.202 -0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.609 -12.275 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.036 -12.458 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.880 -9.412 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.611 -10.566 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.553 -9.173 1.653 1.00 0.00 H new ATOM 980 N ASP A 64 4.988 -13.747 -0.146 1.00 0.00 N ATOM 981 CA ASP A 64 5.385 -14.801 -1.063 1.00 0.00 C ATOM 982 C ASP A 64 4.177 -15.222 -1.902 1.00 0.00 C ATOM 983 O ASP A 64 3.230 -15.811 -1.382 1.00 0.00 O ATOM 984 CB ASP A 64 5.886 -16.032 -0.305 1.00 0.00 C ATOM 985 CG ASP A 64 5.912 -17.327 -1.120 1.00 0.00 C ATOM 986 OD1 ASP A 64 6.648 -17.347 -2.130 1.00 0.00 O ATOM 987 OD2 ASP A 64 5.196 -18.267 -0.713 1.00 0.00 O ATOM 0 H ASP A 64 4.658 -14.074 0.762 1.00 0.00 H new ATOM 0 HA ASP A 64 6.186 -14.415 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.893 -15.830 0.060 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.254 -16.184 0.570 1.00 0.00 H new ATOM 992 N THR A 65 4.248 -14.904 -3.187 1.00 0.00 N ATOM 993 CA THR A 65 3.172 -15.242 -4.103 1.00 0.00 C ATOM 994 C THR A 65 3.288 -16.702 -4.547 1.00 0.00 C ATOM 995 O THR A 65 2.309 -17.445 -4.511 1.00 0.00 O ATOM 996 CB THR A 65 3.212 -14.248 -5.265 1.00 0.00 C ATOM 997 OG1 THR A 65 4.540 -14.356 -5.769 1.00 0.00 O ATOM 998 CG2 THR A 65 3.107 -12.795 -4.798 1.00 0.00 C ATOM 0 H THR A 65 5.035 -14.416 -3.615 1.00 0.00 H new ATOM 0 HA THR A 65 2.199 -15.159 -3.619 1.00 0.00 H new ATOM 0 HB THR A 65 2.398 -14.466 -5.956 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.653 -13.745 -6.527 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.140 -12.132 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.167 -12.651 -4.266 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.939 -12.566 -4.132 1.00 0.00 H new ATOM 1006 N GLU A 66 4.494 -17.068 -4.954 1.00 0.00 N ATOM 1007 CA GLU A 66 4.751 -18.426 -5.405 1.00 0.00 C ATOM 1008 C GLU A 66 3.925 -18.736 -6.655 1.00 0.00 C ATOM 1009 O GLU A 66 3.508 -19.874 -6.861 1.00 0.00 O ATOM 1010 CB GLU A 66 4.463 -19.436 -4.293 1.00 0.00 C ATOM 1011 CG GLU A 66 5.726 -20.217 -3.921 1.00 0.00 C ATOM 1012 CD GLU A 66 5.371 -21.573 -3.307 1.00 0.00 C ATOM 1013 OE1 GLU A 66 5.012 -22.475 -4.095 1.00 0.00 O ATOM 1014 OE2 GLU A 66 5.467 -21.677 -2.066 1.00 0.00 O ATOM 0 H GLU A 66 5.304 -16.449 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 66 5.807 -18.509 -5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.081 -18.916 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.686 -20.128 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.341 -20.365 -4.809 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.321 -19.638 -3.214 1.00 0.00 H new ATOM 1021 N GLY A 67 3.714 -17.702 -7.457 1.00 0.00 N ATOM 1022 CA GLY A 67 2.945 -17.850 -8.681 1.00 0.00 C ATOM 1023 C GLY A 67 1.636 -18.598 -8.419 1.00 0.00 C ATOM 1024 O GLY A 67 1.423 -19.687 -8.951 1.00 0.00 O ATOM 0 H GLY A 67 4.062 -16.759 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.729 -16.867 -9.100 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.534 -18.390 -9.422 1.00 0.00 H new ATOM 1028 N LYS A 68 0.794 -17.985 -7.600 1.00 0.00 N ATOM 1029 CA LYS A 68 -0.488 -18.580 -7.262 1.00 0.00 C ATOM 1030 C LYS A 68 -1.612 -17.733 -7.862 1.00 0.00 C ATOM 1031 O LYS A 68 -2.766 -18.158 -7.890 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.605 -18.775 -5.749 1.00 0.00 C ATOM 1033 CG LYS A 68 0.551 -19.622 -5.214 1.00 0.00 C ATOM 1034 CD LYS A 68 0.527 -19.679 -3.685 1.00 0.00 C ATOM 1035 CE LYS A 68 0.791 -21.101 -3.186 1.00 0.00 C ATOM 1036 NZ LYS A 68 1.897 -21.108 -2.202 1.00 0.00 N ATOM 0 H LYS A 68 0.974 -17.082 -7.161 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.573 -19.576 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.609 -17.804 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.554 -19.258 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.485 -20.631 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.499 -19.204 -5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.279 -19.002 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.441 -19.335 -3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.112 -21.506 -2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.041 -21.748 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.063 -22.081 -1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.761 -20.741 -2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.644 -20.507 -1.392 1.00 0.00 H new ATOM 1050 N GLY A 69 -1.236 -16.551 -8.327 1.00 0.00 N ATOM 1051 CA GLY A 69 -2.198 -15.642 -8.925 1.00 0.00 C ATOM 1052 C GLY A 69 -3.087 -15.003 -7.856 1.00 0.00 C ATOM 1053 O GLY A 69 -3.068 -13.787 -7.673 1.00 0.00 O ATOM 0 H GLY A 69 -0.278 -16.202 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.673 -14.864 -9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.816 -16.182 -9.642 1.00 0.00 H new ATOM 1057 N ASP A 70 -3.844 -15.852 -7.177 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.738 -15.386 -6.131 1.00 0.00 C ATOM 1059 C ASP A 70 -4.043 -14.287 -5.325 1.00 0.00 C ATOM 1060 O ASP A 70 -4.594 -13.202 -5.146 1.00 0.00 O ATOM 1061 CB ASP A 70 -5.100 -16.520 -5.170 1.00 0.00 C ATOM 1062 CG ASP A 70 -6.162 -17.492 -5.688 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.627 -17.271 -6.827 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -6.486 -18.434 -4.932 1.00 0.00 O ATOM 0 H ASP A 70 -3.857 -16.860 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.645 -15.012 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.196 -17.083 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.452 -16.085 -4.235 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.844 -14.606 -4.860 1.00 0.00 N ATOM 1070 CA ILE A 71 -2.069 -13.659 -4.077 1.00 0.00 C ATOM 1071 C ILE A 71 -1.443 -12.623 -5.012 1.00 0.00 C ATOM 1072 O ILE A 71 -1.622 -11.421 -4.822 1.00 0.00 O ATOM 1073 CB ILE A 71 -1.050 -14.394 -3.204 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.748 -15.339 -2.224 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -0.127 -13.405 -2.488 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -0.783 -16.410 -1.712 1.00 0.00 C ATOM 0 H ILE A 71 -2.390 -15.507 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.715 -13.117 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.424 -15.007 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.143 -14.769 -1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.597 -15.814 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.588 -13.953 -1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.410 -12.809 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.721 -12.747 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.305 -17.068 -1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.408 -16.994 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.053 -15.932 -1.201 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.722 -13.126 -6.004 1.00 0.00 N ATOM 1089 CA GLN A 72 -0.068 -12.258 -6.969 1.00 0.00 C ATOM 1090 C GLN A 72 -0.998 -11.109 -7.365 1.00 0.00 C ATOM 1091 O GLN A 72 -0.620 -9.942 -7.275 1.00 0.00 O ATOM 1092 CB GLN A 72 0.381 -13.048 -8.200 1.00 0.00 C ATOM 1093 CG GLN A 72 1.873 -12.842 -8.469 1.00 0.00 C ATOM 1094 CD GLN A 72 2.092 -11.985 -9.718 1.00 0.00 C ATOM 1095 OE1 GLN A 72 1.384 -11.025 -9.975 1.00 0.00 O ATOM 1096 NE2 GLN A 72 3.108 -12.385 -10.477 1.00 0.00 N ATOM 0 H GLN A 72 -0.576 -14.123 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 72 0.822 -11.835 -6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.178 -14.108 -8.050 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.196 -12.733 -9.069 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.338 -12.362 -7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.360 -13.809 -8.597 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.660 -13.198 -10.203 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.335 -11.879 -11.333 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.195 -11.480 -7.794 1.00 0.00 N ATOM 1106 CA GLN A 73 -3.182 -10.495 -8.203 1.00 0.00 C ATOM 1107 C GLN A 73 -3.362 -9.439 -7.111 1.00 0.00 C ATOM 1108 O GLN A 73 -3.454 -8.247 -7.404 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.515 -11.163 -8.545 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.847 -10.997 -10.029 1.00 0.00 C ATOM 1111 CD GLN A 73 -5.436 -9.613 -10.307 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -5.436 -8.729 -9.466 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -5.935 -9.473 -11.532 1.00 0.00 N ATOM 0 H GLN A 73 -2.504 -12.449 -7.867 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.820 -10.000 -9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.469 -12.223 -8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.310 -10.727 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.946 -11.139 -10.625 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.556 -11.766 -10.335 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.903 -10.253 -12.188 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.349 -8.585 -11.815 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.406 -9.913 -5.875 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.574 -9.024 -4.738 1.00 0.00 C ATOM 1124 C ALA A 74 -2.275 -8.250 -4.506 1.00 0.00 C ATOM 1125 O ALA A 74 -2.260 -7.022 -4.570 1.00 0.00 O ATOM 1126 CB ALA A 74 -3.995 -9.837 -3.512 1.00 0.00 C ATOM 0 H ALA A 74 -3.328 -10.901 -5.636 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.362 -8.296 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.121 -9.170 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.937 -10.345 -3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.227 -10.576 -3.284 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.215 -9.000 -4.241 1.00 0.00 N ATOM 1133 CA ARG A 75 0.085 -8.400 -3.998 1.00 0.00 C ATOM 1134 C ARG A 75 0.402 -7.365 -5.080 1.00 0.00 C ATOM 1135 O ARG A 75 0.712 -6.215 -4.772 1.00 0.00 O ATOM 1136 CB ARG A 75 1.187 -9.461 -3.980 1.00 0.00 C ATOM 1137 CG ARG A 75 2.399 -8.980 -3.180 1.00 0.00 C ATOM 1138 CD ARG A 75 3.673 -9.699 -3.629 1.00 0.00 C ATOM 1139 NE ARG A 75 4.695 -8.710 -4.037 1.00 0.00 N ATOM 1140 CZ ARG A 75 4.772 -8.171 -5.262 1.00 0.00 C ATOM 1141 NH1 ARG A 75 3.889 -8.523 -6.206 1.00 0.00 N ATOM 1142 NH2 ARG A 75 5.734 -7.281 -5.543 1.00 0.00 N ATOM 0 H ARG A 75 -1.231 -10.019 -4.189 1.00 0.00 H new ATOM 0 HA ARG A 75 0.049 -7.914 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.802 -10.383 -3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.490 -9.693 -5.001 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.520 -7.904 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.232 -9.158 -2.118 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.057 -10.317 -2.817 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.449 -10.367 -4.460 1.00 0.00 H new ATOM 0 HE ARG A 75 5.384 -8.420 -3.343 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.158 -9.201 -5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.948 -8.113 -7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.407 -7.014 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.793 -6.871 -6.475 1.00 0.00 H new ATOM 1156 N LYS A 76 0.312 -7.810 -6.325 1.00 0.00 N ATOM 1157 CA LYS A 76 0.585 -6.936 -7.453 1.00 0.00 C ATOM 1158 C LYS A 76 -0.401 -5.767 -7.437 1.00 0.00 C ATOM 1159 O LYS A 76 -0.097 -4.686 -7.940 1.00 0.00 O ATOM 1160 CB LYS A 76 0.576 -7.731 -8.760 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.854 -8.081 -9.179 1.00 0.00 C ATOM 1162 CD LYS A 76 -1.229 -7.382 -10.487 1.00 0.00 C ATOM 1163 CE LYS A 76 -2.392 -8.096 -11.177 1.00 0.00 C ATOM 1164 NZ LYS A 76 -2.923 -7.272 -12.286 1.00 0.00 N ATOM 0 H LYS A 76 0.054 -8.764 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 76 1.585 -6.510 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.057 -7.150 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.157 -8.645 -8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.947 -9.160 -9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.549 -7.787 -8.393 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.502 -6.346 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.366 -7.360 -11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.058 -9.060 -11.560 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.183 -8.297 -10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.712 -7.772 -12.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.260 -6.362 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.170 -7.102 -12.983 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.564 -6.022 -6.855 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.596 -5.004 -6.767 1.00 0.00 C ATOM 1180 C ARG A 77 -2.279 -4.022 -5.638 1.00 0.00 C ATOM 1181 O ARG A 77 -2.558 -2.829 -5.751 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.969 -5.632 -6.516 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.731 -5.827 -7.828 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.583 -4.599 -8.156 1.00 0.00 C ATOM 1185 NE ARG A 77 -5.249 -4.098 -9.508 1.00 0.00 N ATOM 1186 CZ ARG A 77 -5.785 -2.998 -10.055 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -6.684 -2.279 -9.369 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -5.423 -2.618 -11.288 1.00 0.00 N ATOM 0 H ARG A 77 -1.814 -6.920 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.620 -4.473 -7.719 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.847 -6.593 -6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.547 -4.995 -5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.026 -6.011 -8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.369 -6.708 -7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.641 -4.856 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.409 -3.817 -7.416 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.569 -4.623 -10.058 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.960 -2.569 -8.431 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.092 -1.442 -9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.739 -3.166 -11.810 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.831 -1.781 -11.704 1.00 0.00 H new ATOM 1202 N ALA A 78 -1.700 -4.559 -4.574 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.341 -3.745 -3.426 1.00 0.00 C ATOM 1204 C ALA A 78 -0.048 -2.985 -3.728 1.00 0.00 C ATOM 1205 O ALA A 78 0.120 -1.844 -3.301 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.218 -4.634 -2.187 1.00 0.00 C ATOM 0 H ALA A 78 -1.471 -5.549 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.117 -3.007 -3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.949 -4.023 -1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.171 -5.128 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.447 -5.386 -2.354 1.00 0.00 H new ATOM 1212 N ALA A 79 0.833 -3.649 -4.462 1.00 0.00 N ATOM 1213 CA ALA A 79 2.106 -3.051 -4.827 1.00 0.00 C ATOM 1214 C ALA A 79 1.853 -1.783 -5.646 1.00 0.00 C ATOM 1215 O ALA A 79 2.751 -0.961 -5.817 1.00 0.00 O ATOM 1216 CB ALA A 79 2.953 -4.075 -5.585 1.00 0.00 C ATOM 0 H ALA A 79 0.690 -4.596 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 79 2.664 -2.762 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.908 -3.626 -5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.129 -4.943 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.427 -4.386 -6.487 1.00 0.00 H new ATOM 1222 N GLN A 80 0.625 -1.665 -6.130 1.00 0.00 N ATOM 1223 CA GLN A 80 0.242 -0.511 -6.926 1.00 0.00 C ATOM 1224 C GLN A 80 -0.404 0.555 -6.039 1.00 0.00 C ATOM 1225 O GLN A 80 -0.008 1.719 -6.073 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.695 -0.918 -8.065 1.00 0.00 C ATOM 1227 CG GLN A 80 0.060 -1.698 -9.143 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.850 -2.009 -10.334 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -1.032 -1.207 -11.235 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -1.410 -3.214 -10.287 1.00 0.00 N ATOM 0 H GLN A 80 -0.117 -2.349 -5.986 1.00 0.00 H new ATOM 0 HA GLN A 80 1.141 -0.087 -7.373 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.508 -1.528 -7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.147 -0.029 -8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.921 -1.120 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.445 -2.627 -8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.215 -3.837 -9.503 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.035 -3.516 -11.035 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.388 0.120 -5.266 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.092 1.023 -4.372 1.00 0.00 C ATOM 1241 C GLU A 81 -1.095 1.865 -3.573 1.00 0.00 C ATOM 1242 O GLU A 81 -1.097 3.091 -3.667 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.028 0.251 -3.439 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.494 0.520 -3.789 1.00 0.00 C ATOM 1245 CD GLU A 81 -4.836 -0.030 -5.176 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -4.527 0.678 -6.158 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.398 -1.145 -5.221 1.00 0.00 O ATOM 0 H GLU A 81 -1.714 -0.846 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.704 1.695 -4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.822 -0.817 -3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.838 0.541 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.140 0.060 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.688 1.592 -3.761 1.00 0.00 H new ATOM 1254 N THR A 82 -0.266 1.172 -2.806 1.00 0.00 N ATOM 1255 CA THR A 82 0.735 1.841 -1.991 1.00 0.00 C ATOM 1256 C THR A 82 1.441 2.929 -2.802 1.00 0.00 C ATOM 1257 O THR A 82 1.378 4.107 -2.453 1.00 0.00 O ATOM 1258 CB THR A 82 1.687 0.776 -1.444 1.00 0.00 C ATOM 1259 OG1 THR A 82 1.121 0.418 -0.186 1.00 0.00 O ATOM 1260 CG2 THR A 82 3.060 1.347 -1.086 1.00 0.00 C ATOM 0 H THR A 82 -0.267 0.155 -2.731 1.00 0.00 H new ATOM 0 HA THR A 82 0.279 2.355 -1.145 1.00 0.00 H new ATOM 0 HB THR A 82 1.805 -0.018 -2.181 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.286 -0.075 -0.331 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.697 0.550 -0.703 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.517 1.781 -1.976 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.946 2.118 -0.324 1.00 0.00 H new ATOM 1268 N GLU A 83 2.098 2.496 -3.868 1.00 0.00 N ATOM 1269 CA GLU A 83 2.816 3.419 -4.731 1.00 0.00 C ATOM 1270 C GLU A 83 1.862 4.479 -5.284 1.00 0.00 C ATOM 1271 O GLU A 83 2.270 5.608 -5.550 1.00 0.00 O ATOM 1272 CB GLU A 83 3.523 2.672 -5.864 1.00 0.00 C ATOM 1273 CG GLU A 83 4.516 1.648 -5.310 1.00 0.00 C ATOM 1274 CD GLU A 83 5.830 2.321 -4.906 1.00 0.00 C ATOM 1275 OE1 GLU A 83 6.609 2.644 -5.829 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.025 2.498 -3.684 1.00 0.00 O ATOM 0 H GLU A 83 2.148 1.518 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 83 3.581 3.921 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.785 2.168 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.047 3.384 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.081 1.144 -4.447 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.711 0.882 -6.061 1.00 0.00 H new ATOM 1283 N ARG A 84 0.609 4.077 -5.442 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.406 4.979 -5.960 1.00 0.00 C ATOM 1285 C ARG A 84 -0.577 6.178 -5.025 1.00 0.00 C ATOM 1286 O ARG A 84 -0.667 7.317 -5.481 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.750 4.265 -6.113 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.329 4.479 -7.513 1.00 0.00 C ATOM 1289 CD ARG A 84 -3.739 3.896 -7.619 1.00 0.00 C ATOM 1290 NE ARG A 84 -4.114 3.733 -9.041 1.00 0.00 N ATOM 1291 CZ ARG A 84 -4.408 4.750 -9.862 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -4.372 6.010 -9.407 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -4.738 4.508 -11.138 1.00 0.00 N ATOM 0 H ARG A 84 0.274 3.139 -5.221 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.076 5.322 -6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.622 3.198 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.450 4.637 -5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.354 5.545 -7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.681 4.010 -8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.782 2.933 -7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.451 4.553 -7.120 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.151 2.787 -9.420 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.121 6.195 -8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.596 6.784 -10.032 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.765 3.549 -11.485 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.962 5.283 -11.763 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.616 5.881 -3.734 1.00 0.00 N ATOM 1308 CA LEU A 85 -0.775 6.921 -2.732 1.00 0.00 C ATOM 1309 C LEU A 85 0.543 7.685 -2.583 1.00 0.00 C ATOM 1310 O LEU A 85 0.561 8.914 -2.631 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.293 6.326 -1.421 1.00 0.00 C ATOM 1312 CG LEU A 85 -2.797 6.055 -1.355 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.097 4.840 -0.474 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.559 7.299 -0.895 1.00 0.00 C ATOM 0 H LEU A 85 -0.540 4.935 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.528 7.643 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.767 5.389 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.030 7.004 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.146 5.818 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.173 4.669 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.601 3.961 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.730 5.024 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.626 7.079 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.213 7.592 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.382 8.114 -1.596 1.00 0.00 H new ATOM 1326 N LEU A 86 1.613 6.925 -2.405 1.00 0.00 N ATOM 1327 CA LEU A 86 2.932 7.515 -2.249 1.00 0.00 C ATOM 1328 C LEU A 86 3.073 8.700 -3.206 1.00 0.00 C ATOM 1329 O LEU A 86 3.782 9.660 -2.911 1.00 0.00 O ATOM 1330 CB LEU A 86 4.019 6.452 -2.422 1.00 0.00 C ATOM 1331 CG LEU A 86 4.887 6.174 -1.194 1.00 0.00 C ATOM 1332 CD1 LEU A 86 6.056 5.252 -1.546 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.360 7.479 -0.550 1.00 0.00 C ATOM 0 H LEU A 86 1.594 5.906 -2.365 1.00 0.00 H new ATOM 0 HA LEU A 86 3.057 7.904 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.542 5.519 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.670 6.757 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 86 4.277 5.653 -0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.657 5.070 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.671 4.305 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.674 5.723 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.975 7.253 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.947 8.049 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.495 8.066 -0.241 1.00 0.00 H new ATOM 1345 N LYS A 87 2.386 8.593 -4.334 1.00 0.00 N ATOM 1346 CA LYS A 87 2.425 9.644 -5.337 1.00 0.00 C ATOM 1347 C LYS A 87 1.471 10.768 -4.929 1.00 0.00 C ATOM 1348 O LYS A 87 1.864 11.933 -4.881 1.00 0.00 O ATOM 1349 CB LYS A 87 2.140 9.069 -6.726 1.00 0.00 C ATOM 1350 CG LYS A 87 3.312 8.217 -7.218 1.00 0.00 C ATOM 1351 CD LYS A 87 3.939 8.821 -8.477 1.00 0.00 C ATOM 1352 CE LYS A 87 4.495 7.727 -9.391 1.00 0.00 C ATOM 1353 NZ LYS A 87 3.898 7.826 -10.741 1.00 0.00 N ATOM 0 H LYS A 87 1.799 7.795 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 87 3.423 10.078 -5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.234 8.464 -6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.956 9.881 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.065 8.140 -6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.967 7.205 -7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.192 9.405 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.738 9.507 -8.196 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.579 7.818 -9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.283 6.746 -8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.286 7.076 -11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.866 7.717 -10.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.121 8.755 -11.152 1.00 0.00 H new ATOM 1367 N GLU A 88 0.237 10.380 -4.646 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.776 11.341 -4.244 1.00 0.00 C ATOM 1369 C GLU A 88 -0.268 12.191 -3.077 1.00 0.00 C ATOM 1370 O GLU A 88 -0.478 13.402 -3.050 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.086 10.638 -3.880 1.00 0.00 C ATOM 1372 CG GLU A 88 -3.100 10.743 -5.021 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.488 12.201 -5.276 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.453 12.654 -4.623 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -2.811 12.830 -6.117 1.00 0.00 O ATOM 0 H GLU A 88 -0.085 9.413 -4.687 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.978 12.000 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.890 9.589 -3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.503 11.083 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.678 10.311 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.990 10.163 -4.776 1.00 0.00 H new ATOM 1382 N LEU A 89 0.391 11.522 -2.142 1.00 0.00 N ATOM 1383 CA LEU A 89 0.930 12.200 -0.976 1.00 0.00 C ATOM 1384 C LEU A 89 1.708 13.439 -1.427 1.00 0.00 C ATOM 1385 O LEU A 89 1.726 14.452 -0.730 1.00 0.00 O ATOM 1386 CB LEU A 89 1.756 11.232 -0.127 1.00 0.00 C ATOM 1387 CG LEU A 89 2.381 11.817 1.141 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.364 12.658 1.916 1.00 0.00 C ATOM 1389 CD2 LEU A 89 2.995 10.716 2.008 1.00 0.00 C ATOM 0 H LEU A 89 0.564 10.517 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 89 0.123 12.546 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.118 10.396 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.555 10.826 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 89 3.191 12.484 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.834 13.062 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.016 13.478 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.517 12.034 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.432 11.159 2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.220 10.005 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.770 10.198 1.443 1.00 0.00 H new ATOM 1401 N GLU A 90 2.331 13.317 -2.590 1.00 0.00 N ATOM 1402 CA GLU A 90 3.108 14.413 -3.141 1.00 0.00 C ATOM 1403 C GLU A 90 2.183 15.443 -3.795 1.00 0.00 C ATOM 1404 O GLU A 90 2.106 16.586 -3.347 1.00 0.00 O ATOM 1405 CB GLU A 90 4.149 13.901 -4.138 1.00 0.00 C ATOM 1406 CG GLU A 90 4.510 14.982 -5.159 1.00 0.00 C ATOM 1407 CD GLU A 90 5.992 14.912 -5.531 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.785 15.575 -4.829 1.00 0.00 O ATOM 1409 OE2 GLU A 90 6.298 14.196 -6.510 1.00 0.00 O ATOM 0 H GLU A 90 2.313 12.475 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 90 3.643 14.899 -2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.046 13.587 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.762 13.023 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.901 14.860 -6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.280 15.966 -4.749 1.00 0.00 H new ATOM 1416 N GLN A 91 1.505 15.000 -4.844 1.00 0.00 N ATOM 1417 CA GLN A 91 0.589 15.869 -5.563 1.00 0.00 C ATOM 1418 C GLN A 91 -0.321 16.610 -4.582 1.00 0.00 C ATOM 1419 O GLN A 91 -0.729 17.741 -4.841 1.00 0.00 O ATOM 1420 CB GLN A 91 -0.233 15.076 -6.582 1.00 0.00 C ATOM 1421 CG GLN A 91 -0.240 15.774 -7.943 1.00 0.00 C ATOM 1422 CD GLN A 91 -1.609 16.389 -8.237 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -2.040 17.340 -7.605 1.00 0.00 O ATOM 1424 NE2 GLN A 91 -2.268 15.795 -9.228 1.00 0.00 N ATOM 0 H GLN A 91 1.572 14.051 -5.213 1.00 0.00 H new ATOM 0 HA GLN A 91 1.174 16.606 -6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.180 14.073 -6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -1.256 14.964 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.523 16.552 -7.961 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.016 15.058 -8.724 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -1.850 15.003 -9.716 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.192 16.131 -9.500 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.613 15.942 -3.475 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.467 16.523 -2.454 1.00 0.00 C ATOM 1435 C ASN A 92 -0.636 17.455 -1.569 1.00 0.00 C ATOM 1436 O ASN A 92 -1.095 18.531 -1.191 1.00 0.00 O ATOM 1437 CB ASN A 92 -2.073 15.439 -1.561 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.381 14.909 -2.152 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -4.392 15.590 -2.199 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.305 13.659 -2.600 1.00 0.00 N ATOM 0 H ASN A 92 -0.273 15.004 -3.263 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.268 17.068 -2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.364 14.619 -1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.257 15.844 -0.566 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.125 13.215 -3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.427 13.145 -2.530 1.00 0.00 H new ATOM 1447 N ALA A 93 0.573 17.006 -1.264 1.00 0.00 N ATOM 1448 CA ALA A 93 1.472 17.786 -0.431 1.00 0.00 C ATOM 1449 C ALA A 93 1.383 19.260 -0.832 1.00 0.00 C ATOM 1450 O ALA A 93 0.718 20.049 -0.163 1.00 0.00 O ATOM 1451 CB ALA A 93 2.893 17.233 -0.557 1.00 0.00 C ATOM 0 H ALA A 93 0.951 16.112 -1.579 1.00 0.00 H new ATOM 0 HA ALA A 93 1.184 17.712 0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.568 17.818 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.909 16.192 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.216 17.294 -1.596 1.00 0.00 H new ATOM 1457 N SER A 94 2.062 19.586 -1.922 1.00 0.00 N ATOM 1458 CA SER A 94 2.067 20.951 -2.420 1.00 0.00 C ATOM 1459 C SER A 94 2.818 21.019 -3.751 1.00 0.00 C ATOM 1460 O SER A 94 2.410 21.740 -4.661 1.00 0.00 O ATOM 1461 CB SER A 94 2.700 21.905 -1.405 1.00 0.00 C ATOM 1462 OG SER A 94 2.313 23.258 -1.630 1.00 0.00 O ATOM 0 H SER A 94 2.612 18.928 -2.474 1.00 0.00 H new ATOM 0 HA SER A 94 1.034 21.262 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.409 21.608 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.786 21.825 -1.460 1.00 0.00 H new ATOM 0 HG SER A 94 2.737 23.835 -0.961 1.00 0.00 H new