USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 27 GLN : amide:sc= 0.00323 K(o=-1.5,f=-2) USER MOD Set 1.2: A 110 CYS SG : rot -161:sc= -1.49 USER MOD Set 2.1: A 94 HIS :FLIP no HE2:sc= -0.243 F(o=-5.6,f=-3.1) USER MOD Set 2.2: A 98 LYS NZ :NH3+ -130:sc= -2.82! (180deg=-5.14!) USER MOD Set 3.1: A 65 LYS NZ :NH3+ -165:sc= -1.47 (180deg=-3.81!) USER MOD Set 3.2: A 67 TYR OH : rot 147:sc= 1.3 USER MOD Set 3.3: A 103 CYS SG : rot -99:sc= -2.49! USER MOD Set 3.4: A 104 GLN : amide:sc= -3.35 K(o=-6,f=-14) USER MOD Set 4.1: A 43 SER OG : rot -83:sc= 0.0797 USER MOD Set 4.2: A 45 SER OG : rot 180:sc= 0.0778 USER MOD Set 5.1: A 34 LYS NZ :NH3+ 173:sc= 0.011 (180deg=-0.1) USER MOD Set 5.2: A 107 THR OG1 : rot -150:sc= -0.523 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -87:sc= 0.698 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.05 K(o=-1.1,f=-4.2!) USER MOD Single : A 37 SER OG : rot 38:sc= -0.107 USER MOD Single : A 46 ASN : amide:sc= -10.9! C(o=-11!,f=-15!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 12:sc= 0.0178 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -127:sc= -4.55! (180deg=-11!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 59 THR OG1 : rot -50:sc= 0.172 USER MOD Single : A 60 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.8!) USER MOD Single : A 66 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-5.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 49:sc= 0.0723 USER MOD Single : A 74 ASN : amide:sc= -0.263 K(o=-0.26,f=-3!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.515! USER MOD Single : A 89 GLN :FLIP amide:sc=-0.00401 F(o=-1.9,f=-0.004) USER MOD Single : A 93 GLN : amide:sc= -0.595 X(o=-0.59,f=-1) USER MOD Single : A 95 TYR OH : rot 166:sc= -0.194 USER MOD Single : A 96 SER OG : rot 180:sc= -1.06 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 146:sc= 1.39 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 1.603 1.857 -15.488 1.00 0.00 N ATOM 172 CA LYS A 13 2.167 2.384 -14.282 1.00 0.00 C ATOM 173 C LYS A 13 1.447 1.907 -13.037 1.00 0.00 C ATOM 174 O LYS A 13 2.083 1.770 -11.999 1.00 0.00 O ATOM 175 CB LYS A 13 2.089 3.874 -14.312 1.00 0.00 C ATOM 176 CG LYS A 13 3.051 4.471 -15.267 1.00 0.00 C ATOM 177 CD LYS A 13 4.402 3.838 -15.334 1.00 0.00 C ATOM 178 CE LYS A 13 5.442 4.727 -15.975 1.00 0.00 C ATOM 179 NZ LYS A 13 6.615 3.983 -16.414 1.00 0.00 N ATOM 0 HA LYS A 13 3.197 2.031 -14.236 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.077 4.177 -14.583 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.282 4.265 -13.313 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.609 4.438 -16.263 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.179 5.523 -15.010 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.726 3.579 -14.326 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.333 2.907 -15.896 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.000 5.241 -16.829 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.747 5.495 -15.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.299 4.636 -16.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.054 3.514 -15.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.331 3.267 -17.113 1.00 0.00 H new ATOM 193 N TRP A 14 0.169 1.489 -13.208 1.00 0.00 N ATOM 194 CA TRP A 14 -0.512 1.090 -11.985 1.00 0.00 C ATOM 195 C TRP A 14 -0.149 -0.380 -11.722 1.00 0.00 C ATOM 196 O TRP A 14 0.234 -0.744 -10.618 1.00 0.00 O ATOM 197 CB TRP A 14 -2.033 1.386 -12.019 1.00 0.00 C ATOM 198 CG TRP A 14 -2.959 0.442 -12.783 1.00 0.00 C ATOM 199 CD1 TRP A 14 -3.705 0.786 -13.916 1.00 0.00 C ATOM 200 CD2 TRP A 14 -3.385 -0.894 -12.411 1.00 0.00 C ATOM 201 NE1 TRP A 14 -4.556 -0.242 -14.221 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.405 -1.299 -13.312 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.002 -1.733 -11.397 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.994 -2.549 -13.148 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.575 -2.990 -11.265 1.00 0.00 C ATOM 206 CH2 TRP A 14 -4.566 -3.392 -12.141 1.00 0.00 C ATOM 0 H TRP A 14 -0.352 1.427 -14.083 1.00 0.00 H new ATOM 0 HA TRP A 14 -0.173 1.690 -11.141 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.383 1.425 -10.987 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -2.164 2.384 -12.438 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.623 1.714 -14.462 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.211 -0.239 -15.003 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.247 -1.413 -10.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -5.788 -2.861 -13.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.247 -3.654 -10.479 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -5.009 -4.372 -12.037 1.00 0.00 H new ATOM 217 N PHE A 15 -0.266 -1.187 -12.806 1.00 0.00 N ATOM 218 CA PHE A 15 0.091 -2.599 -12.714 1.00 0.00 C ATOM 219 C PHE A 15 1.598 -2.822 -13.025 1.00 0.00 C ATOM 220 O PHE A 15 1.961 -3.072 -14.166 1.00 0.00 O ATOM 221 CB PHE A 15 -0.814 -3.466 -13.611 1.00 0.00 C ATOM 222 CG PHE A 15 -0.643 -4.933 -13.298 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.754 -5.392 -11.981 1.00 0.00 C ATOM 224 CD2 PHE A 15 -0.340 -5.841 -14.318 1.00 0.00 C ATOM 225 CE1 PHE A 15 -0.545 -6.743 -11.711 1.00 0.00 C ATOM 226 CE2 PHE A 15 -0.125 -7.186 -14.034 1.00 0.00 C ATOM 227 CZ PHE A 15 -0.226 -7.637 -12.727 1.00 0.00 C ATOM 0 H PHE A 15 -0.596 -0.883 -13.722 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.076 -2.918 -11.685 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.856 -3.179 -13.468 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.575 -3.284 -14.659 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.999 -4.707 -11.183 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.272 -5.494 -15.338 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.632 -7.102 -10.696 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.120 -7.876 -14.828 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.057 -8.679 -12.499 1.00 0.00 H new ATOM 237 N PHE A 16 2.451 -2.688 -11.986 1.00 0.00 N ATOM 238 CA PHE A 16 3.909 -2.905 -12.134 1.00 0.00 C ATOM 239 C PHE A 16 4.283 -4.307 -11.603 1.00 0.00 C ATOM 240 O PHE A 16 3.528 -4.941 -10.870 1.00 0.00 O ATOM 241 CB PHE A 16 4.693 -1.768 -11.404 1.00 0.00 C ATOM 242 CG PHE A 16 5.661 -0.999 -12.290 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.237 -0.426 -13.488 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.002 -0.856 -11.932 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.121 0.231 -14.342 1.00 0.00 C ATOM 246 CE2 PHE A 16 7.901 -0.224 -12.805 1.00 0.00 C ATOM 247 CZ PHE A 16 7.461 0.324 -14.004 1.00 0.00 C ATOM 0 H PHE A 16 2.159 -2.433 -11.043 1.00 0.00 H new ATOM 0 HA PHE A 16 4.187 -2.867 -13.187 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.976 -1.067 -10.976 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.248 -2.203 -10.573 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.194 -0.493 -13.762 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.349 -1.232 -10.981 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.763 0.666 -15.263 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.947 -0.163 -12.542 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.157 0.818 -14.666 1.00 0.00 H new ATOM 257 N ARG A 17 5.543 -4.703 -11.921 1.00 0.00 N ATOM 258 CA ARG A 17 6.031 -6.024 -11.473 1.00 0.00 C ATOM 259 C ARG A 17 6.522 -5.897 -10.020 1.00 0.00 C ATOM 260 O ARG A 17 5.991 -5.108 -9.258 1.00 0.00 O ATOM 261 CB ARG A 17 7.161 -6.521 -12.401 1.00 0.00 C ATOM 262 CG ARG A 17 6.665 -7.353 -13.578 1.00 0.00 C ATOM 263 CD ARG A 17 5.678 -8.432 -13.173 1.00 0.00 C ATOM 264 NE ARG A 17 5.646 -9.539 -14.123 1.00 0.00 N ATOM 265 CZ ARG A 17 4.743 -10.539 -13.995 1.00 0.00 C ATOM 266 NH1 ARG A 17 3.846 -10.530 -13.016 1.00 0.00 N ATOM 267 NH2 ARG A 17 4.750 -11.550 -14.854 1.00 0.00 N ATOM 0 H ARG A 17 6.210 -4.152 -12.461 1.00 0.00 H new ATOM 0 HA ARG A 17 5.225 -6.756 -11.518 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.711 -5.661 -12.782 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.863 -7.116 -11.817 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.194 -6.694 -14.308 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.519 -7.817 -14.072 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.942 -8.811 -12.186 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.682 -7.998 -13.091 1.00 0.00 H new ATOM 0 HE ARG A 17 6.313 -9.560 -14.894 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.830 -9.761 -12.346 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.173 -11.292 -12.934 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.435 -11.573 -15.609 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.070 -12.305 -14.759 1.00 0.00 H new ATOM 281 N THR A 18 7.442 -6.794 -9.645 1.00 0.00 N ATOM 282 CA THR A 18 7.966 -6.742 -8.312 1.00 0.00 C ATOM 283 C THR A 18 9.241 -5.895 -8.320 1.00 0.00 C ATOM 284 O THR A 18 10.368 -6.371 -8.264 1.00 0.00 O ATOM 285 CB THR A 18 8.371 -8.128 -7.721 1.00 0.00 C ATOM 286 OG1 THR A 18 9.379 -8.034 -6.671 1.00 0.00 O ATOM 287 CG2 THR A 18 8.571 -9.231 -8.798 1.00 0.00 C ATOM 0 H THR A 18 7.817 -7.535 -10.237 1.00 0.00 H new ATOM 0 HA THR A 18 7.164 -6.332 -7.698 1.00 0.00 H new ATOM 0 HB THR A 18 7.505 -8.504 -7.177 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.272 -8.038 -7.074 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.851 -10.166 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.642 -9.373 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.360 -8.929 -9.486 1.00 0.00 H new ATOM 295 N ILE A 19 8.979 -4.597 -8.488 1.00 0.00 N ATOM 296 CA ILE A 19 10.059 -3.628 -8.453 1.00 0.00 C ATOM 297 C ILE A 19 10.505 -3.482 -7.002 1.00 0.00 C ATOM 298 O ILE A 19 9.797 -3.883 -6.084 1.00 0.00 O ATOM 299 CB ILE A 19 9.533 -2.297 -8.984 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.638 -1.451 -9.593 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.710 -1.507 -7.963 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.130 -0.057 -9.960 1.00 0.00 C ATOM 0 H ILE A 19 8.050 -4.206 -8.645 1.00 0.00 H new ATOM 0 HA ILE A 19 10.902 -3.946 -9.067 1.00 0.00 H new ATOM 0 HB ILE A 19 8.838 -2.558 -9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.464 -1.365 -8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.028 -1.944 -10.483 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.371 -0.574 -8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.846 -2.097 -7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.326 -1.287 -7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 19 10.944 0.524 -10.393 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.320 -0.144 -10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 19 9.763 0.444 -9.064 1.00 0.00 H new ATOM 314 N SER A 20 11.711 -2.904 -6.825 1.00 0.00 N ATOM 315 CA SER A 20 12.145 -2.712 -5.447 1.00 0.00 C ATOM 316 C SER A 20 11.202 -1.717 -4.754 1.00 0.00 C ATOM 317 O SER A 20 10.529 -0.894 -5.358 1.00 0.00 O ATOM 318 CB SER A 20 13.631 -2.214 -5.354 1.00 0.00 C ATOM 319 OG SER A 20 14.501 -2.408 -4.161 1.00 0.00 O ATOM 0 H SER A 20 12.348 -2.589 -7.557 1.00 0.00 H new ATOM 0 HA SER A 20 12.105 -3.678 -4.943 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.158 -2.670 -6.192 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.604 -1.140 -5.540 1.00 0.00 H new ATOM 0 HG SER A 20 15.383 -2.018 -4.333 1.00 0.00 H new ATOM 325 N ARG A 21 11.291 -1.796 -3.424 1.00 0.00 N ATOM 326 CA ARG A 21 10.475 -0.937 -2.570 1.00 0.00 C ATOM 327 C ARG A 21 10.802 0.530 -2.868 1.00 0.00 C ATOM 328 O ARG A 21 9.961 1.340 -3.229 1.00 0.00 O ATOM 329 CB ARG A 21 10.735 -1.263 -1.091 1.00 0.00 C ATOM 330 CG ARG A 21 9.669 -0.655 -0.162 1.00 0.00 C ATOM 331 CD ARG A 21 10.211 -0.335 1.239 1.00 0.00 C ATOM 332 NE ARG A 21 9.223 -0.628 2.274 1.00 0.00 N ATOM 333 CZ ARG A 21 9.439 -0.322 3.571 1.00 0.00 C ATOM 334 NH1 ARG A 21 10.595 0.202 3.960 1.00 0.00 N ATOM 335 NH2 ARG A 21 8.489 -0.529 4.473 1.00 0.00 N ATOM 0 H ARG A 21 11.909 -2.435 -2.924 1.00 0.00 H new ATOM 0 HA ARG A 21 9.419 -1.113 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.755 -2.345 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.718 -0.888 -0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.279 0.258 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.833 -1.349 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.115 -0.916 1.422 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.492 0.717 1.290 1.00 0.00 H new ATOM 0 HE ARG A 21 8.346 -1.076 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.331 0.377 3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.747 0.429 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.591 -0.921 4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.656 -0.297 5.452 1.00 0.00 H new ATOM 349 N LYS A 22 12.109 0.787 -2.696 1.00 0.00 N ATOM 350 CA LYS A 22 12.649 2.109 -2.972 1.00 0.00 C ATOM 351 C LYS A 22 12.494 2.528 -4.430 1.00 0.00 C ATOM 352 O LYS A 22 12.557 3.709 -4.735 1.00 0.00 O ATOM 353 CB LYS A 22 14.090 2.240 -2.494 1.00 0.00 C ATOM 354 CG LYS A 22 14.987 1.145 -3.031 1.00 0.00 C ATOM 355 CD LYS A 22 15.526 1.407 -4.415 1.00 0.00 C ATOM 356 CE LYS A 22 17.040 1.615 -4.434 1.00 0.00 C ATOM 357 NZ LYS A 22 17.379 2.987 -4.085 1.00 0.00 N ATOM 0 H LYS A 22 12.793 0.103 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 22 12.045 2.809 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.483 3.209 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.110 2.218 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.825 1.010 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.430 0.208 -3.042 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.271 0.569 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.038 2.289 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.514 0.929 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.431 1.380 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.412 3.105 -4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.943 3.637 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.024 3.200 -3.131 1.00 0.00 H new ATOM 371 N ASP A 23 12.257 1.514 -5.297 1.00 0.00 N ATOM 372 CA ASP A 23 12.154 1.789 -6.710 1.00 0.00 C ATOM 373 C ASP A 23 10.799 2.408 -7.046 1.00 0.00 C ATOM 374 O ASP A 23 10.690 3.514 -7.539 1.00 0.00 O ATOM 375 CB ASP A 23 12.426 0.561 -7.602 1.00 0.00 C ATOM 376 CG ASP A 23 13.929 0.245 -7.746 1.00 0.00 C ATOM 377 OD1 ASP A 23 14.764 1.113 -7.485 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.248 -0.877 -8.132 1.00 0.00 O ATOM 0 H ASP A 23 12.140 0.536 -5.033 1.00 0.00 H new ATOM 0 HA ASP A 23 12.943 2.507 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.916 -0.306 -7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.000 0.734 -8.590 1.00 0.00 H new ATOM 383 N ALA A 24 9.768 1.622 -6.730 1.00 0.00 N ATOM 384 CA ALA A 24 8.386 2.065 -6.935 1.00 0.00 C ATOM 385 C ALA A 24 8.171 3.457 -6.297 1.00 0.00 C ATOM 386 O ALA A 24 7.477 4.304 -6.842 1.00 0.00 O ATOM 387 CB ALA A 24 7.455 0.999 -6.352 1.00 0.00 C ATOM 0 H ALA A 24 9.860 0.686 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 24 8.164 2.177 -7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.418 1.305 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.625 0.050 -6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.658 0.881 -5.288 1.00 0.00 H new ATOM 393 N GLU A 25 8.808 3.606 -5.113 1.00 0.00 N ATOM 394 CA GLU A 25 8.796 4.849 -4.364 1.00 0.00 C ATOM 395 C GLU A 25 9.567 5.962 -5.104 1.00 0.00 C ATOM 396 O GLU A 25 9.151 7.101 -5.066 1.00 0.00 O ATOM 397 CB GLU A 25 9.347 4.657 -2.958 1.00 0.00 C ATOM 398 CG GLU A 25 8.401 3.861 -2.046 1.00 0.00 C ATOM 399 CD GLU A 25 8.942 3.799 -0.603 1.00 0.00 C ATOM 400 OE1 GLU A 25 10.086 4.188 -0.364 1.00 0.00 O ATOM 401 OE2 GLU A 25 8.201 3.379 0.280 1.00 0.00 O ATOM 0 H GLU A 25 9.339 2.860 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 25 7.755 5.162 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.305 4.141 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.537 5.633 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.414 4.324 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.280 2.850 -2.436 1.00 0.00 H new ATOM 408 N ARG A 26 10.688 5.607 -5.781 1.00 0.00 N ATOM 409 CA ARG A 26 11.508 6.610 -6.483 1.00 0.00 C ATOM 410 C ARG A 26 10.733 7.292 -7.613 1.00 0.00 C ATOM 411 O ARG A 26 10.944 8.455 -7.940 1.00 0.00 O ATOM 412 CB ARG A 26 12.792 5.970 -7.059 1.00 0.00 C ATOM 413 CG ARG A 26 12.718 5.397 -8.495 1.00 0.00 C ATOM 414 CD ARG A 26 13.658 4.202 -8.745 1.00 0.00 C ATOM 415 NE ARG A 26 14.681 4.563 -9.731 1.00 0.00 N ATOM 416 CZ ARG A 26 15.651 5.473 -9.456 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.765 6.012 -8.248 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.506 5.852 -10.398 1.00 0.00 N ATOM 0 H ARG A 26 11.035 4.650 -5.852 1.00 0.00 H new ATOM 0 HA ARG A 26 11.778 7.365 -5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.582 6.720 -7.036 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.097 5.165 -6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.693 5.088 -8.699 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.959 6.189 -9.204 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.132 3.901 -7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.084 3.346 -9.101 1.00 0.00 H new ATOM 0 HE ARG A 26 14.664 4.119 -10.649 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.117 5.744 -7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.500 6.694 -8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.437 5.459 -11.337 1.00 0.00 H new ATOM 0 HH22 ARG A 26 17.231 6.536 -10.183 1.00 0.00 H new ATOM 432 N GLN A 27 9.816 6.474 -8.168 1.00 0.00 N ATOM 433 CA GLN A 27 9.002 6.950 -9.282 1.00 0.00 C ATOM 434 C GLN A 27 7.897 7.889 -8.800 1.00 0.00 C ATOM 435 O GLN A 27 7.720 8.990 -9.310 1.00 0.00 O ATOM 436 CB GLN A 27 8.385 5.777 -10.053 1.00 0.00 C ATOM 437 CG GLN A 27 9.421 4.719 -10.448 1.00 0.00 C ATOM 438 CD GLN A 27 8.956 3.861 -11.639 1.00 0.00 C ATOM 439 OE1 GLN A 27 7.804 3.872 -12.055 1.00 0.00 O ATOM 440 NE2 GLN A 27 9.950 3.128 -12.160 1.00 0.00 N ATOM 0 H GLN A 27 9.631 5.516 -7.870 1.00 0.00 H new ATOM 0 HA GLN A 27 9.661 7.503 -9.951 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.612 5.312 -9.441 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.897 6.155 -10.951 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.360 5.211 -10.702 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.621 4.072 -9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.885 3.175 -11.755 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.772 2.523 -12.962 1.00 0.00 H new ATOM 449 N LEU A 28 7.139 7.370 -7.808 1.00 0.00 N ATOM 450 CA LEU A 28 6.056 8.157 -7.255 1.00 0.00 C ATOM 451 C LEU A 28 6.580 9.458 -6.634 1.00 0.00 C ATOM 452 O LEU A 28 5.976 10.505 -6.818 1.00 0.00 O ATOM 453 CB LEU A 28 5.287 7.297 -6.243 1.00 0.00 C ATOM 454 CG LEU A 28 4.840 5.965 -6.863 1.00 0.00 C ATOM 455 CD1 LEU A 28 4.813 4.872 -5.810 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.457 6.115 -7.481 1.00 0.00 C ATOM 0 H LEU A 28 7.263 6.444 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 28 5.371 8.454 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.918 7.103 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.415 7.845 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 28 5.553 5.689 -7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.494 3.935 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.810 4.749 -5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.115 5.146 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.149 5.165 -7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.744 6.408 -6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.486 6.879 -8.258 1.00 0.00 H new ATOM 468 N LEU A 29 7.753 9.349 -5.956 1.00 0.00 N ATOM 469 CA LEU A 29 8.350 10.493 -5.268 1.00 0.00 C ATOM 470 C LEU A 29 8.856 11.584 -6.223 1.00 0.00 C ATOM 471 O LEU A 29 9.304 12.633 -5.778 1.00 0.00 O ATOM 472 CB LEU A 29 9.544 10.004 -4.443 1.00 0.00 C ATOM 473 CG LEU A 29 9.100 9.283 -3.172 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.242 8.416 -2.652 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.622 10.283 -2.103 1.00 0.00 C ATOM 0 H LEU A 29 8.289 8.484 -5.879 1.00 0.00 H new ATOM 0 HA LEU A 29 7.567 10.930 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.153 9.332 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.174 10.853 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 29 8.252 8.640 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.924 7.902 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.515 7.681 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.104 9.045 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.312 9.740 -1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.436 10.963 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.779 10.855 -2.491 1.00 0.00 H new ATOM 487 N ALA A 30 8.745 11.308 -7.535 1.00 0.00 N ATOM 488 CA ALA A 30 9.146 12.299 -8.525 1.00 0.00 C ATOM 489 C ALA A 30 8.208 13.515 -8.423 1.00 0.00 C ATOM 490 O ALA A 30 7.009 13.356 -8.218 1.00 0.00 O ATOM 491 CB ALA A 30 9.125 11.746 -9.952 1.00 0.00 C ATOM 0 H ALA A 30 8.391 10.431 -7.917 1.00 0.00 H new ATOM 0 HA ALA A 30 10.175 12.587 -8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.432 12.526 -10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.812 10.903 -10.026 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.116 11.415 -10.199 1.00 0.00 H new ATOM 497 N PRO A 31 8.794 14.737 -8.582 1.00 0.00 N ATOM 498 CA PRO A 31 8.001 15.954 -8.492 1.00 0.00 C ATOM 499 C PRO A 31 6.975 16.133 -9.617 1.00 0.00 C ATOM 500 O PRO A 31 6.111 16.995 -9.552 1.00 0.00 O ATOM 501 CB PRO A 31 9.043 17.085 -8.643 1.00 0.00 C ATOM 502 CG PRO A 31 10.392 16.438 -8.954 1.00 0.00 C ATOM 503 CD PRO A 31 10.220 14.952 -8.746 1.00 0.00 C ATOM 0 HA PRO A 31 7.430 15.941 -7.564 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.753 17.767 -9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.103 17.674 -7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.697 16.652 -9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.170 16.833 -8.301 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.604 14.391 -9.598 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.770 14.614 -7.868 1.00 0.00 H new ATOM 511 N MET A 32 7.066 15.216 -10.605 1.00 0.00 N ATOM 512 CA MET A 32 6.135 15.240 -11.701 1.00 0.00 C ATOM 513 C MET A 32 4.764 14.746 -11.240 1.00 0.00 C ATOM 514 O MET A 32 3.717 15.226 -11.668 1.00 0.00 O ATOM 515 CB MET A 32 6.713 14.375 -12.807 1.00 0.00 C ATOM 516 CG MET A 32 7.634 15.131 -13.754 1.00 0.00 C ATOM 517 SD MET A 32 9.397 14.960 -13.345 1.00 0.00 S ATOM 518 CE MET A 32 9.755 13.525 -14.378 1.00 0.00 C ATOM 0 H MET A 32 7.766 14.475 -10.647 1.00 0.00 H new ATOM 0 HA MET A 32 5.989 16.254 -12.075 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.265 13.549 -12.359 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.895 13.939 -13.380 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.469 14.774 -14.770 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.367 16.188 -13.740 1.00 0.00 H new ATOM 0 HE1 MET A 32 10.805 13.252 -14.271 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.129 12.688 -14.068 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.548 13.766 -15.421 1.00 0.00 H new ATOM 528 N ASN A 33 4.841 13.726 -10.366 1.00 0.00 N ATOM 529 CA ASN A 33 3.659 13.107 -9.785 1.00 0.00 C ATOM 530 C ASN A 33 3.301 13.656 -8.391 1.00 0.00 C ATOM 531 O ASN A 33 4.099 14.279 -7.704 1.00 0.00 O ATOM 532 CB ASN A 33 3.875 11.603 -9.754 1.00 0.00 C ATOM 533 CG ASN A 33 3.589 10.954 -11.102 1.00 0.00 C ATOM 534 OD1 ASN A 33 4.433 10.280 -11.668 1.00 0.00 O ATOM 535 ND2 ASN A 33 2.342 11.166 -11.560 1.00 0.00 N ATOM 0 H ASN A 33 5.721 13.318 -10.051 1.00 0.00 H new ATOM 0 HA ASN A 33 2.801 13.354 -10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.903 11.391 -9.461 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.230 11.160 -8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.045 10.749 -12.442 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.694 11.744 -11.025 1.00 0.00 H new ATOM 542 N LYS A 34 2.039 13.335 -8.024 1.00 0.00 N ATOM 543 CA LYS A 34 1.529 13.706 -6.712 1.00 0.00 C ATOM 544 C LYS A 34 0.540 12.608 -6.245 1.00 0.00 C ATOM 545 O LYS A 34 0.246 11.685 -6.997 1.00 0.00 O ATOM 546 CB LYS A 34 0.970 15.151 -6.753 1.00 0.00 C ATOM 547 CG LYS A 34 -0.110 15.423 -7.805 1.00 0.00 C ATOM 548 CD LYS A 34 -1.373 14.761 -7.321 1.00 0.00 C ATOM 549 CE LYS A 34 -2.684 15.324 -7.913 1.00 0.00 C ATOM 550 NZ LYS A 34 -3.000 15.107 -9.325 1.00 0.00 N ATOM 0 H LYS A 34 1.378 12.830 -8.614 1.00 0.00 H new ATOM 0 HA LYS A 34 2.313 13.743 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.561 15.389 -5.771 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.800 15.836 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.261 16.495 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.187 15.024 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.317 13.697 -7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.417 14.850 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.507 14.912 -7.329 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.681 16.401 -7.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.963 15.446 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.322 15.628 -9.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.940 14.092 -9.542 1.00 0.00 H new ATOM 564 N ALA A 35 -0.062 12.848 -5.050 1.00 0.00 N ATOM 565 CA ALA A 35 -1.028 11.951 -4.422 1.00 0.00 C ATOM 566 C ALA A 35 -2.048 11.406 -5.456 1.00 0.00 C ATOM 567 O ALA A 35 -2.967 12.103 -5.868 1.00 0.00 O ATOM 568 CB ALA A 35 -1.688 12.693 -3.234 1.00 0.00 C ATOM 0 H ALA A 35 0.123 13.687 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.525 11.067 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.413 12.037 -2.753 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.922 12.978 -2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.194 13.587 -3.599 1.00 0.00 H new ATOM 574 N GLY A 36 -1.812 10.112 -5.829 1.00 0.00 N ATOM 575 CA GLY A 36 -2.656 9.436 -6.810 1.00 0.00 C ATOM 576 C GLY A 36 -1.907 8.455 -7.716 1.00 0.00 C ATOM 577 O GLY A 36 -2.421 7.402 -8.047 1.00 0.00 O ATOM 0 H GLY A 36 -1.052 9.541 -5.460 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.444 8.897 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.143 10.187 -7.432 1.00 0.00 H new ATOM 581 N SER A 37 -0.662 8.823 -8.084 1.00 0.00 N ATOM 582 CA SER A 37 0.191 7.887 -8.835 1.00 0.00 C ATOM 583 C SER A 37 0.455 6.753 -7.844 1.00 0.00 C ATOM 584 O SER A 37 0.745 6.983 -6.667 1.00 0.00 O ATOM 585 CB SER A 37 1.527 8.638 -9.093 1.00 0.00 C ATOM 586 OG SER A 37 2.017 9.374 -7.905 1.00 0.00 O ATOM 0 H SER A 37 -0.239 9.729 -7.881 1.00 0.00 H new ATOM 0 HA SER A 37 -0.237 7.531 -9.772 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.285 7.921 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.390 9.339 -9.917 1.00 0.00 H new ATOM 0 HG SER A 37 1.842 8.846 -7.098 1.00 0.00 H new ATOM 592 N PHE A 38 0.321 5.529 -8.404 1.00 0.00 N ATOM 593 CA PHE A 38 0.490 4.340 -7.578 1.00 0.00 C ATOM 594 C PHE A 38 1.419 3.326 -8.314 1.00 0.00 C ATOM 595 O PHE A 38 1.740 3.473 -9.490 1.00 0.00 O ATOM 596 CB PHE A 38 -0.884 3.619 -7.399 1.00 0.00 C ATOM 597 CG PHE A 38 -1.871 4.028 -6.324 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.098 5.330 -5.935 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.642 3.050 -5.708 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.086 5.662 -5.011 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.597 3.357 -4.741 1.00 0.00 C ATOM 602 CZ PHE A 38 -3.834 4.674 -4.395 1.00 0.00 C ATOM 0 H PHE A 38 0.105 5.354 -9.385 1.00 0.00 H new ATOM 0 HA PHE A 38 0.905 4.647 -6.618 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.407 3.698 -8.352 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.667 2.563 -7.241 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.492 6.117 -6.359 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.496 2.017 -5.988 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.270 6.699 -4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.153 2.565 -4.261 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.585 4.926 -3.661 1.00 0.00 H new ATOM 612 N LEU A 39 1.753 2.268 -7.541 1.00 0.00 N ATOM 613 CA LEU A 39 2.579 1.139 -7.925 1.00 0.00 C ATOM 614 C LEU A 39 2.074 -0.054 -7.162 1.00 0.00 C ATOM 615 O LEU A 39 2.196 -0.067 -5.947 1.00 0.00 O ATOM 616 CB LEU A 39 4.088 1.312 -7.587 1.00 0.00 C ATOM 617 CG LEU A 39 4.912 1.997 -8.684 1.00 0.00 C ATOM 618 CD1 LEU A 39 4.824 1.043 -9.831 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.541 3.418 -9.198 1.00 0.00 C ATOM 0 H LEU A 39 1.425 2.191 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 39 2.508 1.034 -9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.177 1.892 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.517 0.330 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 39 5.886 2.197 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.385 1.439 -10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.243 0.081 -9.537 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.780 0.912 -10.116 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.246 3.721 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.533 3.403 -9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.584 4.127 -8.371 1.00 0.00 H new ATOM 631 N ILE A 40 1.537 -1.075 -7.918 1.00 0.00 N ATOM 632 CA ILE A 40 1.018 -2.222 -7.175 1.00 0.00 C ATOM 633 C ILE A 40 2.119 -3.272 -7.523 1.00 0.00 C ATOM 634 O ILE A 40 2.003 -4.081 -8.436 1.00 0.00 O ATOM 635 CB ILE A 40 -0.464 -2.549 -7.627 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.353 -3.184 -6.529 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.551 -3.612 -8.711 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.791 -2.562 -6.548 1.00 0.00 C ATOM 0 H ILE A 40 1.466 -1.110 -8.935 1.00 0.00 H new ATOM 0 HA ILE A 40 0.886 -2.122 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.798 -1.559 -7.936 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.416 -4.261 -6.684 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.898 -3.028 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.596 -3.783 -8.970 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.009 -3.276 -9.595 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.111 -4.540 -8.347 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.397 -3.023 -5.768 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.726 -1.489 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.252 -2.741 -7.519 1.00 0.00 H new ATOM 650 N ARG A 41 3.184 -3.268 -6.693 1.00 0.00 N ATOM 651 CA ARG A 41 4.252 -4.192 -7.026 1.00 0.00 C ATOM 652 C ARG A 41 3.965 -5.503 -6.294 1.00 0.00 C ATOM 653 O ARG A 41 3.240 -5.523 -5.313 1.00 0.00 O ATOM 654 CB ARG A 41 5.569 -3.548 -6.542 1.00 0.00 C ATOM 655 CG ARG A 41 5.772 -3.581 -5.017 1.00 0.00 C ATOM 656 CD ARG A 41 6.673 -4.751 -4.607 1.00 0.00 C ATOM 657 NE ARG A 41 6.621 -4.966 -3.165 1.00 0.00 N ATOM 658 CZ ARG A 41 7.442 -5.844 -2.555 1.00 0.00 C ATOM 659 NH1 ARG A 41 8.368 -6.502 -3.241 1.00 0.00 N ATOM 660 NH2 ARG A 41 7.318 -6.059 -1.252 1.00 0.00 N ATOM 0 H ARG A 41 3.313 -2.687 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 41 4.326 -4.397 -8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.405 -4.059 -7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.597 -2.511 -6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.216 -2.642 -4.685 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.806 -3.670 -4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.359 -5.657 -5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.700 -4.549 -4.912 1.00 0.00 H new ATOM 0 HE ARG A 41 5.949 -4.440 -2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.466 -6.347 -4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.982 -7.163 -2.765 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.605 -5.561 -0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.936 -6.722 -0.783 1.00 0.00 H new ATOM 674 N GLU A 42 4.578 -6.587 -6.813 1.00 0.00 N ATOM 675 CA GLU A 42 4.342 -7.900 -6.208 1.00 0.00 C ATOM 676 C GLU A 42 5.377 -8.235 -5.175 1.00 0.00 C ATOM 677 O GLU A 42 6.558 -7.986 -5.353 1.00 0.00 O ATOM 678 CB GLU A 42 4.249 -9.039 -7.242 1.00 0.00 C ATOM 679 CG GLU A 42 5.342 -9.049 -8.304 1.00 0.00 C ATOM 680 CD GLU A 42 4.781 -9.287 -9.718 1.00 0.00 C ATOM 681 OE1 GLU A 42 3.939 -8.502 -10.156 1.00 0.00 O ATOM 682 OE2 GLU A 42 5.187 -10.249 -10.367 1.00 0.00 O ATOM 0 H GLU A 42 5.211 -6.578 -7.613 1.00 0.00 H new ATOM 0 HA GLU A 42 3.370 -7.819 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.273 -9.991 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.282 -8.976 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.875 -8.099 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.068 -9.827 -8.068 1.00 0.00 H new ATOM 689 N SER A 43 4.878 -8.855 -4.083 1.00 0.00 N ATOM 690 CA SER A 43 5.883 -9.233 -3.091 1.00 0.00 C ATOM 691 C SER A 43 6.590 -10.488 -3.602 1.00 0.00 C ATOM 692 O SER A 43 5.984 -11.553 -3.638 1.00 0.00 O ATOM 693 CB SER A 43 5.262 -9.554 -1.697 1.00 0.00 C ATOM 694 OG SER A 43 6.080 -9.349 -0.467 1.00 0.00 O ATOM 0 H SER A 43 3.903 -9.080 -3.884 1.00 0.00 H new ATOM 0 HA SER A 43 6.565 -8.392 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.360 -8.951 -1.594 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.948 -10.598 -1.711 1.00 0.00 H new ATOM 0 HG SER A 43 6.657 -10.128 -0.324 1.00 0.00 H new ATOM 700 N GLU A 44 7.846 -10.310 -4.037 1.00 0.00 N ATOM 701 CA GLU A 44 8.650 -11.408 -4.568 1.00 0.00 C ATOM 702 C GLU A 44 9.201 -12.341 -3.452 1.00 0.00 C ATOM 703 O GLU A 44 10.383 -12.662 -3.403 1.00 0.00 O ATOM 704 CB GLU A 44 9.789 -10.847 -5.409 1.00 0.00 C ATOM 705 CG GLU A 44 10.624 -9.811 -4.628 1.00 0.00 C ATOM 706 CD GLU A 44 11.909 -9.426 -5.413 1.00 0.00 C ATOM 707 OE1 GLU A 44 11.861 -8.625 -6.349 1.00 0.00 O ATOM 708 OE2 GLU A 44 12.966 -9.954 -5.073 1.00 0.00 O ATOM 0 H GLU A 44 8.324 -9.409 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 44 7.999 -12.021 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.435 -11.662 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.382 -10.383 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.025 -8.919 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.897 -10.218 -3.654 1.00 0.00 H new ATOM 715 N SER A 45 8.297 -12.697 -2.532 1.00 0.00 N ATOM 716 CA SER A 45 8.602 -13.555 -1.412 1.00 0.00 C ATOM 717 C SER A 45 7.416 -14.445 -0.989 1.00 0.00 C ATOM 718 O SER A 45 7.630 -15.516 -0.431 1.00 0.00 O ATOM 719 CB SER A 45 9.132 -12.671 -0.284 1.00 0.00 C ATOM 720 OG SER A 45 8.095 -11.751 0.275 1.00 0.00 O ATOM 0 H SER A 45 7.326 -12.387 -2.557 1.00 0.00 H new ATOM 0 HA SER A 45 9.368 -14.275 -1.698 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.517 -13.304 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.970 -12.082 -0.655 1.00 0.00 H new ATOM 0 HG SER A 45 8.489 -11.212 0.993 1.00 0.00 H new ATOM 726 N ASN A 46 6.175 -13.976 -1.276 1.00 0.00 N ATOM 727 CA ASN A 46 5.000 -14.748 -0.845 1.00 0.00 C ATOM 728 C ASN A 46 4.452 -15.563 -2.045 1.00 0.00 C ATOM 729 O ASN A 46 5.108 -15.719 -3.068 1.00 0.00 O ATOM 730 CB ASN A 46 3.924 -13.739 -0.329 1.00 0.00 C ATOM 731 CG ASN A 46 2.988 -13.257 -1.401 1.00 0.00 C ATOM 732 OD1 ASN A 46 1.835 -13.629 -1.394 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.581 -12.520 -2.351 1.00 0.00 N ATOM 0 H ASN A 46 5.974 -13.111 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 46 5.262 -15.445 -0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.343 -14.213 0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.427 -12.880 0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.050 -12.218 -3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.563 -12.261 -2.257 1.00 0.00 H new ATOM 740 N LYS A 47 3.176 -15.993 -1.873 1.00 0.00 N ATOM 741 CA LYS A 47 2.437 -16.692 -2.906 1.00 0.00 C ATOM 742 C LYS A 47 2.129 -15.829 -4.106 1.00 0.00 C ATOM 743 O LYS A 47 2.856 -15.782 -5.092 1.00 0.00 O ATOM 744 CB LYS A 47 1.304 -17.597 -2.400 1.00 0.00 C ATOM 745 CG LYS A 47 0.584 -16.978 -1.213 1.00 0.00 C ATOM 746 CD LYS A 47 1.224 -17.339 0.132 1.00 0.00 C ATOM 747 CE LYS A 47 0.332 -18.251 0.981 1.00 0.00 C ATOM 748 NZ LYS A 47 -0.411 -17.517 2.002 1.00 0.00 N ATOM 0 H LYS A 47 2.650 -15.856 -1.010 1.00 0.00 H new ATOM 0 HA LYS A 47 3.129 -17.436 -3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.592 -17.775 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.712 -18.567 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.576 -15.894 -1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.455 -17.307 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.179 -17.833 -0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.436 -16.425 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.370 -18.774 0.331 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.948 -19.011 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.998 -18.180 2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.256 -17.039 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.021 -16.809 1.546 1.00 0.00 H new ATOM 762 N GLY A 48 0.986 -15.184 -3.948 1.00 0.00 N ATOM 763 CA GLY A 48 0.472 -14.293 -4.960 1.00 0.00 C ATOM 764 C GLY A 48 -0.045 -12.995 -4.352 1.00 0.00 C ATOM 765 O GLY A 48 -1.145 -12.542 -4.643 1.00 0.00 O ATOM 0 H GLY A 48 0.396 -15.265 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.257 -14.070 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.333 -14.786 -5.506 1.00 0.00 H new ATOM 769 N ALA A 49 0.847 -12.427 -3.504 1.00 0.00 N ATOM 770 CA ALA A 49 0.502 -11.142 -2.833 1.00 0.00 C ATOM 771 C ALA A 49 1.124 -9.943 -3.593 1.00 0.00 C ATOM 772 O ALA A 49 2.042 -10.087 -4.391 1.00 0.00 O ATOM 773 CB ALA A 49 0.881 -11.058 -1.324 1.00 0.00 C ATOM 0 H ALA A 49 1.764 -12.810 -3.274 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.587 -11.099 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.589 -10.085 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.362 -11.843 -0.774 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.958 -11.187 -1.212 1.00 0.00 H new ATOM 779 N PHE A 50 0.554 -8.757 -3.278 1.00 0.00 N ATOM 780 CA PHE A 50 0.964 -7.488 -3.880 1.00 0.00 C ATOM 781 C PHE A 50 1.067 -6.415 -2.769 1.00 0.00 C ATOM 782 O PHE A 50 0.745 -6.637 -1.609 1.00 0.00 O ATOM 783 CB PHE A 50 0.013 -7.068 -5.047 1.00 0.00 C ATOM 784 CG PHE A 50 0.280 -7.724 -6.378 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.312 -8.942 -6.699 1.00 0.00 C ATOM 786 CD2 PHE A 50 1.061 -7.093 -7.337 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.126 -9.497 -7.956 1.00 0.00 C ATOM 788 CE2 PHE A 50 1.196 -7.617 -8.615 1.00 0.00 C ATOM 789 CZ PHE A 50 0.583 -8.819 -8.931 1.00 0.00 C ATOM 0 H PHE A 50 -0.201 -8.664 -2.599 1.00 0.00 H new ATOM 0 HA PHE A 50 1.947 -7.601 -4.337 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.013 -7.290 -4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.081 -5.988 -5.175 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.918 -9.456 -5.967 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.573 -6.177 -7.084 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.540 -10.470 -8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.776 -7.091 -9.359 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.658 -9.223 -9.930 1.00 0.00 H new ATOM 799 N SER A 51 1.543 -5.240 -3.223 1.00 0.00 N ATOM 800 CA SER A 51 1.787 -4.078 -2.385 1.00 0.00 C ATOM 801 C SER A 51 1.534 -2.817 -3.195 1.00 0.00 C ATOM 802 O SER A 51 1.904 -2.766 -4.350 1.00 0.00 O ATOM 803 CB SER A 51 3.245 -4.197 -1.853 1.00 0.00 C ATOM 804 OG SER A 51 3.537 -5.243 -0.836 1.00 0.00 O ATOM 0 H SER A 51 1.769 -5.081 -4.205 1.00 0.00 H new ATOM 0 HA SER A 51 1.115 -4.026 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.899 -4.371 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.525 -3.233 -1.429 1.00 0.00 H new ATOM 0 HG SER A 51 2.775 -5.856 -0.769 1.00 0.00 H new ATOM 810 N LEU A 52 0.940 -1.800 -2.542 1.00 0.00 N ATOM 811 CA LEU A 52 0.588 -0.571 -3.270 1.00 0.00 C ATOM 812 C LEU A 52 1.182 0.684 -2.588 1.00 0.00 C ATOM 813 O LEU A 52 1.032 0.917 -1.397 1.00 0.00 O ATOM 814 CB LEU A 52 -0.969 -0.497 -3.144 1.00 0.00 C ATOM 815 CG LEU A 52 -1.712 0.346 -4.183 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.223 0.043 -5.598 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.253 0.199 -4.041 1.00 0.00 C ATOM 0 H LEU A 52 0.702 -1.803 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 52 0.963 -0.594 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.361 -1.513 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.210 -0.106 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.481 1.394 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.771 0.658 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.158 0.264 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.391 -1.010 -5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.748 0.811 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.533 -0.845 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.560 0.527 -3.048 1.00 0.00 H new ATOM 829 N SER A 53 1.909 1.423 -3.444 1.00 0.00 N ATOM 830 CA SER A 53 2.570 2.671 -3.099 1.00 0.00 C ATOM 831 C SER A 53 1.777 3.822 -3.655 1.00 0.00 C ATOM 832 O SER A 53 1.259 3.748 -4.754 1.00 0.00 O ATOM 833 CB SER A 53 3.972 2.692 -3.731 1.00 0.00 C ATOM 834 OG SER A 53 4.923 1.584 -3.484 1.00 0.00 O ATOM 0 H SER A 53 2.050 1.152 -4.417 1.00 0.00 H new ATOM 0 HA SER A 53 2.645 2.756 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.838 2.766 -4.810 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.458 3.612 -3.406 1.00 0.00 H new ATOM 0 HG SER A 53 5.761 1.759 -3.962 1.00 0.00 H new ATOM 840 N VAL A 54 1.713 4.884 -2.837 1.00 0.00 N ATOM 841 CA VAL A 54 0.965 6.055 -3.275 1.00 0.00 C ATOM 842 C VAL A 54 1.685 7.284 -2.777 1.00 0.00 C ATOM 843 O VAL A 54 2.334 7.214 -1.752 1.00 0.00 O ATOM 844 CB VAL A 54 -0.443 6.048 -2.708 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.262 7.224 -3.255 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.101 4.690 -2.904 1.00 0.00 C ATOM 0 H VAL A 54 2.148 4.951 -1.917 1.00 0.00 H new ATOM 0 HA VAL A 54 0.897 6.048 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.394 6.200 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.267 7.195 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.780 8.162 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.323 7.151 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.109 4.711 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.151 4.460 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.515 3.925 -2.395 1.00 0.00 H new ATOM 856 N LYS A 55 1.576 8.422 -3.483 1.00 0.00 N ATOM 857 CA LYS A 55 2.318 9.535 -2.884 1.00 0.00 C ATOM 858 C LYS A 55 1.530 10.158 -1.716 1.00 0.00 C ATOM 859 O LYS A 55 0.414 10.577 -1.855 1.00 0.00 O ATOM 860 CB LYS A 55 2.465 10.552 -4.009 1.00 0.00 C ATOM 861 CG LYS A 55 2.975 11.939 -3.667 1.00 0.00 C ATOM 862 CD LYS A 55 4.040 12.430 -4.657 1.00 0.00 C ATOM 863 CE LYS A 55 5.384 11.780 -4.396 1.00 0.00 C ATOM 864 NZ LYS A 55 5.770 11.808 -2.996 1.00 0.00 N ATOM 0 H LYS A 55 1.059 8.587 -4.347 1.00 0.00 H new ATOM 0 HA LYS A 55 3.276 9.210 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.136 10.127 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.490 10.665 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.139 12.639 -3.659 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.394 11.932 -2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.720 12.210 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.138 13.513 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.352 10.745 -4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.147 12.287 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.719 12.224 -2.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.088 12.382 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.779 10.839 -2.619 1.00 0.00 H new ATOM 878 N ASP A 56 2.296 10.268 -0.580 1.00 0.00 N ATOM 879 CA ASP A 56 1.639 10.916 0.531 1.00 0.00 C ATOM 880 C ASP A 56 2.226 12.318 0.558 1.00 0.00 C ATOM 881 O ASP A 56 3.377 12.551 0.204 1.00 0.00 O ATOM 882 CB ASP A 56 2.007 10.208 1.834 1.00 0.00 C ATOM 883 CG ASP A 56 0.997 10.458 2.972 1.00 0.00 C ATOM 884 OD1 ASP A 56 0.840 11.612 3.372 1.00 0.00 O ATOM 885 OD2 ASP A 56 0.389 9.501 3.452 1.00 0.00 O ATOM 0 H ASP A 56 3.255 9.948 -0.443 1.00 0.00 H new ATOM 0 HA ASP A 56 0.554 10.906 0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.077 9.136 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.994 10.542 2.154 1.00 0.00 H new ATOM 890 N ILE A 57 1.342 13.227 1.008 1.00 0.00 N ATOM 891 CA ILE A 57 1.730 14.627 1.023 1.00 0.00 C ATOM 892 C ILE A 57 1.115 15.326 2.238 1.00 0.00 C ATOM 893 O ILE A 57 -0.047 15.719 2.262 1.00 0.00 O ATOM 894 CB ILE A 57 1.256 15.322 -0.269 1.00 0.00 C ATOM 895 CG1 ILE A 57 1.624 14.532 -1.543 1.00 0.00 C ATOM 896 CG2 ILE A 57 1.813 16.749 -0.334 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.545 15.367 -2.820 1.00 0.00 C ATOM 0 H ILE A 57 0.402 13.022 1.348 1.00 0.00 H new ATOM 0 HA ILE A 57 2.817 14.690 1.084 1.00 0.00 H new ATOM 0 HB ILE A 57 0.167 15.360 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.635 14.138 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.956 13.676 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.472 17.231 -1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.461 17.317 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.902 16.715 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.816 14.749 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.529 15.740 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.234 16.209 -2.747 1.00 0.00 H new ATOM 909 N THR A 58 1.997 15.420 3.239 1.00 0.00 N ATOM 910 CA THR A 58 1.713 16.050 4.529 1.00 0.00 C ATOM 911 C THR A 58 2.655 17.248 4.698 1.00 0.00 C ATOM 912 O THR A 58 3.523 17.499 3.872 1.00 0.00 O ATOM 913 CB THR A 58 1.913 15.000 5.656 1.00 0.00 C ATOM 914 OG1 THR A 58 1.546 15.630 6.944 1.00 0.00 O ATOM 915 CG2 THR A 58 3.304 14.282 5.459 1.00 0.00 C ATOM 0 H THR A 58 2.946 15.053 3.172 1.00 0.00 H new ATOM 0 HA THR A 58 0.684 16.407 4.579 1.00 0.00 H new ATOM 0 HB THR A 58 1.242 14.141 5.630 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.664 14.982 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.448 13.544 6.248 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.322 13.784 4.489 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.104 15.021 5.503 1.00 0.00 H new ATOM 923 N THR A 59 2.399 17.995 5.789 1.00 0.00 N ATOM 924 CA THR A 59 3.212 19.137 6.220 1.00 0.00 C ATOM 925 C THR A 59 4.635 18.686 6.644 1.00 0.00 C ATOM 926 O THR A 59 5.357 19.459 7.262 1.00 0.00 O ATOM 927 CB THR A 59 2.502 20.082 7.221 1.00 0.00 C ATOM 928 OG1 THR A 59 3.178 21.389 7.082 1.00 0.00 O ATOM 929 CG2 THR A 59 2.424 19.368 8.611 1.00 0.00 C ATOM 0 H THR A 59 1.605 17.814 6.404 1.00 0.00 H new ATOM 0 HA THR A 59 3.345 19.777 5.348 1.00 0.00 H new ATOM 0 HB THR A 59 1.450 20.303 7.041 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.148 21.263 7.137 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.926 20.021 9.328 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.860 18.440 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.431 19.145 8.962 1.00 0.00 H new ATOM 937 N GLN A 60 4.980 17.393 6.382 1.00 0.00 N ATOM 938 CA GLN A 60 6.278 16.879 6.815 1.00 0.00 C ATOM 939 C GLN A 60 6.990 16.127 5.697 1.00 0.00 C ATOM 940 O GLN A 60 7.215 14.924 5.746 1.00 0.00 O ATOM 941 CB GLN A 60 6.021 15.932 7.986 1.00 0.00 C ATOM 942 CG GLN A 60 5.610 16.689 9.251 1.00 0.00 C ATOM 943 CD GLN A 60 6.850 17.192 10.009 1.00 0.00 C ATOM 944 OE1 GLN A 60 7.962 16.702 9.853 1.00 0.00 O ATOM 945 NE2 GLN A 60 6.586 18.206 10.839 1.00 0.00 N ATOM 0 H GLN A 60 4.390 16.722 5.890 1.00 0.00 H new ATOM 0 HA GLN A 60 6.921 17.711 7.103 1.00 0.00 H new ATOM 0 HB2 GLN A 60 5.237 15.224 7.716 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.921 15.350 8.187 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.973 17.532 8.985 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.022 16.036 9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.635 18.565 10.919 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.336 18.621 11.392 1.00 0.00 H new ATOM 954 N GLY A 61 7.332 16.938 4.681 1.00 0.00 N ATOM 955 CA GLY A 61 8.032 16.386 3.530 1.00 0.00 C ATOM 956 C GLY A 61 7.098 15.506 2.681 1.00 0.00 C ATOM 957 O GLY A 61 6.025 15.095 3.107 1.00 0.00 O ATOM 0 H GLY A 61 7.140 17.939 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.428 17.197 2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.884 15.796 3.868 1.00 0.00 H new ATOM 961 N GLU A 62 7.547 15.323 1.426 1.00 0.00 N ATOM 962 CA GLU A 62 6.851 14.521 0.453 1.00 0.00 C ATOM 963 C GLU A 62 7.341 13.065 0.580 1.00 0.00 C ATOM 964 O GLU A 62 8.540 12.814 0.580 1.00 0.00 O ATOM 965 CB GLU A 62 7.200 15.075 -0.927 1.00 0.00 C ATOM 966 CG GLU A 62 6.038 14.816 -1.872 1.00 0.00 C ATOM 967 CD GLU A 62 6.469 14.873 -3.342 1.00 0.00 C ATOM 968 OE1 GLU A 62 7.465 14.236 -3.683 1.00 0.00 O ATOM 969 OE2 GLU A 62 5.800 15.535 -4.131 1.00 0.00 O ATOM 0 H GLU A 62 8.410 15.738 1.075 1.00 0.00 H new ATOM 0 HA GLU A 62 5.772 14.547 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.403 16.144 -0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.106 14.601 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.608 13.838 -1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.255 15.554 -1.695 1.00 0.00 H new ATOM 976 N VAL A 63 6.370 12.139 0.704 1.00 0.00 N ATOM 977 CA VAL A 63 6.709 10.721 0.822 1.00 0.00 C ATOM 978 C VAL A 63 5.717 9.873 -0.019 1.00 0.00 C ATOM 979 O VAL A 63 4.932 10.417 -0.782 1.00 0.00 O ATOM 980 CB VAL A 63 6.749 10.357 2.307 1.00 0.00 C ATOM 981 CG1 VAL A 63 5.325 10.423 2.886 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.456 9.010 2.544 1.00 0.00 C ATOM 0 H VAL A 63 5.372 12.346 0.724 1.00 0.00 H new ATOM 0 HA VAL A 63 7.696 10.504 0.414 1.00 0.00 H new ATOM 0 HB VAL A 63 7.353 11.086 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.350 10.164 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.931 11.433 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.684 9.719 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.464 8.786 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.924 8.221 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.481 9.068 2.177 1.00 0.00 H new ATOM 992 N VAL A 64 5.798 8.527 0.156 1.00 0.00 N ATOM 993 CA VAL A 64 4.910 7.561 -0.484 1.00 0.00 C ATOM 994 C VAL A 64 3.998 7.008 0.622 1.00 0.00 C ATOM 995 O VAL A 64 3.893 7.603 1.679 1.00 0.00 O ATOM 996 CB VAL A 64 5.713 6.463 -1.238 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.912 5.632 -2.242 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.766 7.127 -2.061 1.00 0.00 C ATOM 0 H VAL A 64 6.498 8.092 0.757 1.00 0.00 H new ATOM 0 HA VAL A 64 4.300 8.026 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 64 6.077 5.802 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.567 4.897 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.102 5.118 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.496 6.288 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.339 6.371 -2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.297 7.802 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.432 7.694 -1.411 1.00 0.00 H new ATOM 1008 N LYS A 65 3.334 5.891 0.292 1.00 0.00 N ATOM 1009 CA LYS A 65 2.460 5.117 1.173 1.00 0.00 C ATOM 1010 C LYS A 65 2.698 3.614 0.972 1.00 0.00 C ATOM 1011 O LYS A 65 3.261 3.214 -0.029 1.00 0.00 O ATOM 1012 CB LYS A 65 1.006 5.405 1.014 1.00 0.00 C ATOM 1013 CG LYS A 65 0.635 6.657 1.832 1.00 0.00 C ATOM 1014 CD LYS A 65 -0.044 7.603 0.942 1.00 0.00 C ATOM 1015 CE LYS A 65 -1.574 7.464 0.923 1.00 0.00 C ATOM 1016 NZ LYS A 65 -2.192 7.561 -0.389 1.00 0.00 N ATOM 0 H LYS A 65 3.398 5.487 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 65 2.728 5.426 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.769 5.562 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.417 4.551 1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.013 6.388 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.530 7.111 2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.213 8.618 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.334 7.467 -0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.840 6.502 1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.000 8.235 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.215 7.710 -0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.779 8.361 -0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.025 6.681 -0.917 1.00 0.00 H new ATOM 1030 N HIS A 66 2.184 2.815 1.905 1.00 0.00 N ATOM 1031 CA HIS A 66 2.333 1.359 1.773 1.00 0.00 C ATOM 1032 C HIS A 66 1.089 0.591 2.297 1.00 0.00 C ATOM 1033 O HIS A 66 0.836 0.568 3.495 1.00 0.00 O ATOM 1034 CB HIS A 66 3.574 0.932 2.588 1.00 0.00 C ATOM 1035 CG HIS A 66 4.873 0.985 1.820 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.005 1.050 0.479 1.00 0.00 N ATOM 1037 CD2 HIS A 66 6.155 0.911 2.384 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.354 0.995 0.265 1.00 0.00 C ATOM 1039 NE2 HIS A 66 7.041 0.916 1.391 1.00 0.00 N ATOM 0 H HIS A 66 1.678 3.130 2.733 1.00 0.00 H new ATOM 0 HA HIS A 66 2.443 1.116 0.716 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.657 1.575 3.464 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.422 -0.084 2.952 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.264 1.124 -0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.383 0.859 3.438 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.808 1.014 -0.715 1.00 0.00 H new ATOM 1047 N TYR A 67 0.356 -0.052 1.354 1.00 0.00 N ATOM 1048 CA TYR A 67 -0.819 -0.884 1.680 1.00 0.00 C ATOM 1049 C TYR A 67 -0.409 -2.342 1.362 1.00 0.00 C ATOM 1050 O TYR A 67 0.764 -2.633 1.160 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.089 -0.435 0.903 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.625 0.903 1.349 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -3.373 0.998 2.519 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -2.348 2.062 0.635 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -3.794 2.231 3.014 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -2.759 3.308 1.120 1.00 0.00 C ATOM 1057 CZ TYR A 67 -3.478 3.412 2.318 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.810 4.679 2.800 1.00 0.00 O ATOM 0 H TYR A 67 0.564 -0.006 0.356 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.096 -0.782 2.729 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.857 -0.388 -0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.867 -1.189 1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.633 0.097 3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.812 2.001 -0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.362 2.280 3.931 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.519 4.202 0.563 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.122 5.323 2.529 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.418 -3.239 1.287 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.130 -4.650 1.013 1.00 0.00 C ATOM 1070 C LYS A 68 -2.375 -5.436 0.543 1.00 0.00 C ATOM 1071 O LYS A 68 -3.308 -5.700 1.282 1.00 0.00 O ATOM 1072 CB LYS A 68 -0.493 -5.303 2.238 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.463 -5.670 3.350 1.00 0.00 C ATOM 1074 CD LYS A 68 -2.264 -4.458 3.838 1.00 0.00 C ATOM 1075 CE LYS A 68 -2.798 -4.626 5.253 1.00 0.00 C ATOM 1076 NZ LYS A 68 -4.048 -5.378 5.301 1.00 0.00 N ATOM 0 H LYS A 68 -2.405 -3.014 1.409 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.422 -4.682 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.029 -6.205 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.259 -4.625 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.149 -6.438 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.910 -6.099 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.631 -3.572 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.099 -4.285 3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.050 -5.135 5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.954 -3.643 5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.365 -5.462 6.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.773 -4.882 4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.897 -6.327 4.904 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.295 -5.784 -0.753 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.315 -6.573 -1.422 1.00 0.00 C ATOM 1092 C ILE A 69 -2.961 -8.067 -1.285 1.00 0.00 C ATOM 1093 O ILE A 69 -1.874 -8.527 -1.581 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.570 -6.157 -2.870 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -2.357 -5.582 -3.577 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.817 -5.337 -3.079 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.236 -4.072 -3.464 1.00 0.00 C ATOM 0 H ILE A 69 -1.516 -5.520 -1.357 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.267 -6.382 -0.926 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.772 -7.105 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.458 -6.040 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.400 -5.855 -4.631 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.916 -5.088 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.687 -5.910 -2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.751 -4.419 -2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.345 -3.738 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.117 -3.603 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.160 -3.791 -2.414 1.00 0.00 H new ATOM 1109 N ARG A 70 -4.009 -8.791 -0.808 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.917 -10.221 -0.604 1.00 0.00 C ATOM 1111 C ARG A 70 -4.496 -10.913 -1.823 1.00 0.00 C ATOM 1112 O ARG A 70 -5.029 -10.269 -2.714 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.687 -10.598 0.679 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.772 -10.543 1.908 1.00 0.00 C ATOM 1115 CD ARG A 70 -4.003 -11.798 2.749 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.662 -11.585 4.154 1.00 0.00 N ATOM 1117 CZ ARG A 70 -3.527 -12.615 5.020 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -3.548 -13.869 4.591 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -3.366 -12.375 6.315 1.00 0.00 N ATOM 0 H ARG A 70 -4.914 -8.389 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.881 -10.536 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.527 -9.917 0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.103 -11.600 0.576 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.728 -10.482 1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.983 -9.650 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.048 -12.100 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.404 -12.617 2.351 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.522 -10.633 4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.667 -14.066 3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.445 -14.637 5.255 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.344 -11.414 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.264 -13.151 6.969 1.00 0.00 H new ATOM 1133 N SER A 71 -4.429 -12.257 -1.771 1.00 0.00 N ATOM 1134 CA SER A 71 -4.948 -13.057 -2.861 1.00 0.00 C ATOM 1135 C SER A 71 -5.751 -14.208 -2.268 1.00 0.00 C ATOM 1136 O SER A 71 -5.227 -15.137 -1.666 1.00 0.00 O ATOM 1137 CB SER A 71 -3.825 -13.650 -3.729 1.00 0.00 C ATOM 1138 OG SER A 71 -2.719 -14.014 -2.776 1.00 0.00 O ATOM 0 H SER A 71 -4.028 -12.788 -0.998 1.00 0.00 H new ATOM 0 HA SER A 71 -5.561 -12.414 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.174 -14.526 -4.275 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.481 -12.928 -4.470 1.00 0.00 H new ATOM 0 HG SER A 71 -3.088 -14.527 -2.027 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.074 -14.045 -2.442 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.027 -15.016 -1.948 1.00 0.00 C ATOM 1146 C LEU A 72 -8.365 -15.995 -3.054 1.00 0.00 C ATOM 1147 O LEU A 72 -8.457 -15.640 -4.224 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.277 -14.286 -1.446 1.00 0.00 C ATOM 1149 CG LEU A 72 -8.972 -12.995 -0.710 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.744 -13.180 0.192 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.880 -11.806 -1.684 1.00 0.00 C ATOM 0 H LEU A 72 -7.493 -13.248 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.601 -15.577 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.925 -14.066 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.833 -14.949 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.799 -12.745 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.534 -12.248 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.942 -13.968 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.883 -13.456 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.661 -10.895 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.086 -11.989 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.829 -11.691 -2.208 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.624 -17.223 -2.571 1.00 0.00 N ATOM 1164 CA ASP A 73 -8.962 -18.296 -3.504 1.00 0.00 C ATOM 1165 C ASP A 73 -10.258 -18.001 -4.278 1.00 0.00 C ATOM 1166 O ASP A 73 -10.393 -18.368 -5.439 1.00 0.00 O ATOM 1167 CB ASP A 73 -9.166 -19.628 -2.771 1.00 0.00 C ATOM 1168 CG ASP A 73 -10.214 -19.538 -1.643 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -9.900 -18.993 -0.587 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -11.336 -20.006 -1.844 1.00 0.00 O ATOM 0 H ASP A 73 -8.606 -17.484 -1.585 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.122 -18.361 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.476 -20.388 -3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.215 -19.955 -2.351 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.147 -17.248 -3.594 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.430 -16.911 -4.206 1.00 0.00 C ATOM 1177 C ASN A 74 -12.855 -15.471 -3.846 1.00 0.00 C ATOM 1178 O ASN A 74 -14.021 -15.163 -3.625 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.514 -17.899 -3.736 1.00 0.00 C ATOM 1180 CG ASN A 74 -13.776 -17.841 -2.214 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -13.147 -17.099 -1.471 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -14.753 -18.658 -1.797 1.00 0.00 N ATOM 0 H ASN A 74 -11.000 -16.879 -2.655 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.316 -16.979 -5.288 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.443 -17.687 -4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.215 -18.911 -4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.009 -18.685 -0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.241 -19.253 -2.467 1.00 0.00 H new ATOM 1189 N GLY A 75 -11.811 -14.623 -3.830 1.00 0.00 N ATOM 1190 CA GLY A 75 -11.997 -13.208 -3.502 1.00 0.00 C ATOM 1191 C GLY A 75 -11.100 -12.239 -4.265 1.00 0.00 C ATOM 1192 O GLY A 75 -11.184 -11.038 -4.095 1.00 0.00 O ATOM 0 H GLY A 75 -10.849 -14.891 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.037 -12.941 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.824 -13.074 -2.434 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.258 -12.797 -5.135 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.368 -11.978 -5.937 1.00 0.00 C ATOM 1198 C GLY A 76 -8.292 -11.259 -5.127 1.00 0.00 C ATOM 1199 O GLY A 76 -7.258 -11.823 -4.807 1.00 0.00 O ATOM 0 H GLY A 76 -10.178 -13.801 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.886 -12.608 -6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.959 -11.237 -6.476 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.640 -10.001 -4.765 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.715 -9.153 -4.043 1.00 0.00 C ATOM 1205 C TYR A 77 -8.497 -8.330 -3.035 1.00 0.00 C ATOM 1206 O TYR A 77 -9.629 -7.925 -3.264 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.966 -8.236 -5.045 1.00 0.00 C ATOM 1208 CG TYR A 77 -6.113 -9.010 -6.013 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -4.803 -9.305 -5.686 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -6.619 -9.431 -7.235 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -4.016 -10.069 -6.551 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -5.853 -10.163 -8.131 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.539 -10.505 -7.780 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.769 -11.295 -8.626 1.00 0.00 O ATOM 0 H TYR A 77 -9.544 -9.574 -4.966 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.977 -9.755 -3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.692 -7.642 -5.601 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.338 -7.537 -4.492 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.386 -8.943 -4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.637 -9.182 -7.496 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.004 -10.325 -6.275 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.262 -10.465 -9.084 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.283 -11.508 -9.432 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.782 -8.085 -1.913 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.437 -7.284 -0.847 1.00 0.00 C ATOM 1226 C TYR A 78 -7.429 -6.539 0.024 1.00 0.00 C ATOM 1227 O TYR A 78 -6.320 -7.028 0.270 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.396 -8.112 0.048 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.838 -8.672 1.358 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.709 -7.852 2.490 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.491 -10.023 1.489 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.241 -8.340 3.705 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -8.062 -10.524 2.727 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.915 -9.685 3.849 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.507 -10.134 5.111 1.00 0.00 O ATOM 0 H TYR A 78 -6.830 -8.399 -1.726 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.041 -6.553 -1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.255 -7.485 0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.768 -8.949 -0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.982 -6.810 2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.554 -10.681 0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.130 -7.669 4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.839 -11.577 2.822 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.311 -11.093 5.069 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.822 -5.287 0.378 1.00 0.00 N ATOM 1246 CA ILE A 79 -6.889 -4.508 1.259 1.00 0.00 C ATOM 1247 C ILE A 79 -7.600 -4.232 2.586 1.00 0.00 C ATOM 1248 O ILE A 79 -7.068 -4.468 3.663 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.280 -3.189 0.688 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.229 -2.558 -0.269 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -4.927 -3.325 0.036 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.677 -1.339 -1.062 1.00 0.00 C ATOM 0 H ILE A 79 -8.689 -4.824 0.104 1.00 0.00 H new ATOM 0 HA ILE A 79 -6.012 -5.146 1.367 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.119 -2.559 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.554 -3.315 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.114 -2.239 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.598 -2.351 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.209 -3.704 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.995 -4.019 -0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.451 -0.958 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.381 -0.555 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.812 -1.648 -1.649 1.00 0.00 H new ATOM 1264 N SER A 80 -8.865 -3.807 2.420 1.00 0.00 N ATOM 1265 CA SER A 80 -9.708 -3.528 3.558 1.00 0.00 C ATOM 1266 C SER A 80 -10.778 -4.593 3.350 1.00 0.00 C ATOM 1267 O SER A 80 -11.413 -4.625 2.308 1.00 0.00 O ATOM 1268 CB SER A 80 -10.280 -2.078 3.465 1.00 0.00 C ATOM 1269 OG SER A 80 -11.007 -1.568 4.666 1.00 0.00 O ATOM 0 H SER A 80 -9.307 -3.656 1.513 1.00 0.00 H new ATOM 0 HA SER A 80 -9.227 -3.564 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.454 -1.399 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.957 -2.033 2.612 1.00 0.00 H new ATOM 0 HG SER A 80 -11.318 -0.654 4.496 1.00 0.00 H new ATOM 1275 N PRO A 81 -10.946 -5.487 4.368 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.859 -6.610 4.211 1.00 0.00 C ATOM 1277 C PRO A 81 -13.337 -6.232 4.043 1.00 0.00 C ATOM 1278 O PRO A 81 -14.146 -7.051 3.629 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.716 -7.327 5.582 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.657 -6.623 6.422 1.00 0.00 C ATOM 1281 CD PRO A 81 -10.180 -5.472 5.593 1.00 0.00 C ATOM 0 HA PRO A 81 -11.611 -7.177 3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.672 -7.323 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.439 -8.370 5.431 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -11.074 -6.278 7.368 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.836 -7.298 6.663 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.320 -4.530 6.124 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.114 -5.564 5.383 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.596 -4.914 4.184 1.00 0.00 N ATOM 1290 CA ARG A 82 -14.953 -4.416 3.957 1.00 0.00 C ATOM 1291 C ARG A 82 -15.213 -4.234 2.434 1.00 0.00 C ATOM 1292 O ARG A 82 -16.306 -3.879 2.022 1.00 0.00 O ATOM 1293 CB ARG A 82 -15.200 -3.146 4.785 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.349 -1.952 4.339 1.00 0.00 C ATOM 1295 CD ARG A 82 -15.215 -0.934 3.608 1.00 0.00 C ATOM 1296 NE ARG A 82 -14.391 -0.005 2.844 1.00 0.00 N ATOM 1297 CZ ARG A 82 -14.931 1.039 2.183 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -16.236 1.267 2.222 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -14.147 1.841 1.475 1.00 0.00 N ATOM 0 H ARG A 82 -12.908 -4.207 4.444 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.681 -5.149 4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.254 -2.877 4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.992 -3.359 5.834 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.880 -1.486 5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.545 -2.292 3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -15.904 -1.450 2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.821 -0.383 4.327 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.382 -0.148 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.846 0.649 2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.630 2.061 1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.143 1.666 1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.548 2.633 0.972 1.00 0.00 H new ATOM 1313 N ILE A 83 -14.140 -4.482 1.636 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.081 -4.374 0.182 1.00 0.00 C ATOM 1315 C ILE A 83 -13.013 -5.314 -0.491 1.00 0.00 C ATOM 1316 O ILE A 83 -11.773 -5.212 -0.302 1.00 0.00 O ATOM 1317 CB ILE A 83 -13.933 -2.940 -0.239 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -12.847 -2.279 0.563 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.222 -2.145 -0.065 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -12.768 -0.837 0.071 1.00 0.00 C ATOM 0 H ILE A 83 -13.248 -4.780 2.030 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.036 -4.742 -0.192 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.680 -2.947 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.074 -2.314 1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.895 -2.790 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.060 -1.115 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.010 -2.593 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.519 -2.158 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -11.991 -0.307 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -12.529 -0.828 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.727 -0.345 0.232 1.00 0.00 H new ATOM 1332 N THR A 84 -13.634 -6.211 -1.287 1.00 0.00 N ATOM 1333 CA THR A 84 -12.908 -7.214 -2.054 1.00 0.00 C ATOM 1334 C THR A 84 -13.201 -6.970 -3.566 1.00 0.00 C ATOM 1335 O THR A 84 -14.247 -6.423 -3.933 1.00 0.00 O ATOM 1336 CB THR A 84 -13.373 -8.640 -1.663 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.774 -8.541 -0.240 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.161 -9.590 -1.931 1.00 0.00 C ATOM 0 H THR A 84 -14.646 -6.250 -1.407 1.00 0.00 H new ATOM 0 HA THR A 84 -11.841 -7.133 -1.848 1.00 0.00 H new ATOM 0 HB THR A 84 -14.217 -9.038 -2.226 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.083 -9.416 0.074 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.436 -10.612 -1.671 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.889 -9.544 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.312 -9.277 -1.323 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.259 -7.432 -4.421 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.427 -7.320 -5.883 1.00 0.00 C ATOM 1348 C PHE A 85 -11.875 -8.602 -6.529 1.00 0.00 C ATOM 1349 O PHE A 85 -11.111 -9.299 -5.896 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.733 -6.059 -6.393 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.401 -4.816 -5.855 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.499 -4.254 -6.509 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.940 -4.218 -4.683 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -14.128 -3.119 -5.997 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.574 -3.091 -4.181 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.670 -2.538 -4.822 1.00 0.00 C ATOM 0 H PHE A 85 -11.390 -7.878 -4.127 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.479 -7.225 -6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.685 -6.071 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.754 -6.044 -7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.865 -4.703 -7.421 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -11.088 -4.633 -4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.973 -2.691 -6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.206 -2.636 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.161 -1.667 -4.414 1.00 0.00 H new ATOM 1366 N PRO A 86 -12.247 -8.905 -7.798 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.722 -10.099 -8.472 1.00 0.00 C ATOM 1368 C PRO A 86 -10.262 -9.921 -8.945 1.00 0.00 C ATOM 1369 O PRO A 86 -9.419 -10.776 -8.705 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.627 -10.267 -9.716 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.607 -9.083 -9.741 1.00 0.00 C ATOM 1372 CD PRO A 86 -13.337 -8.240 -8.501 1.00 0.00 C ATOM 0 HA PRO A 86 -11.725 -10.953 -7.794 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.027 -10.287 -10.626 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.169 -11.212 -9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.469 -8.490 -10.645 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.638 -9.438 -9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -13.062 -7.221 -8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -14.225 -8.174 -7.872 1.00 0.00 H new ATOM 1380 N THR A 87 -9.997 -8.758 -9.572 1.00 0.00 N ATOM 1381 CA THR A 87 -8.652 -8.454 -10.069 1.00 0.00 C ATOM 1382 C THR A 87 -8.346 -7.035 -9.570 1.00 0.00 C ATOM 1383 O THR A 87 -9.217 -6.310 -9.101 1.00 0.00 O ATOM 1384 CB THR A 87 -8.487 -8.600 -11.621 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.371 -7.678 -11.970 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.854 -8.299 -12.305 1.00 0.00 C ATOM 0 H THR A 87 -10.688 -8.028 -9.742 1.00 0.00 H new ATOM 0 HA THR A 87 -7.936 -9.183 -9.688 1.00 0.00 H new ATOM 0 HB THR A 87 -8.229 -9.600 -11.971 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.205 -7.715 -12.935 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.750 -8.398 -13.385 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.603 -9.005 -11.947 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.167 -7.283 -12.062 1.00 0.00 H new ATOM 1394 N LEU A 88 -7.054 -6.673 -9.731 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.654 -5.358 -9.305 1.00 0.00 C ATOM 1396 C LEU A 88 -7.180 -4.308 -10.286 1.00 0.00 C ATOM 1397 O LEU A 88 -7.125 -3.137 -9.977 1.00 0.00 O ATOM 1398 CB LEU A 88 -5.137 -5.188 -9.291 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.366 -6.078 -8.333 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -2.929 -5.609 -8.302 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.925 -5.945 -6.931 1.00 0.00 C ATOM 0 H LEU A 88 -6.319 -7.255 -10.134 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.057 -5.232 -8.300 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.764 -5.368 -10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.912 -4.149 -9.048 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.443 -7.114 -8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.356 -6.236 -7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.502 -5.679 -9.302 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.891 -4.574 -7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.364 -6.588 -6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.840 -4.909 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.974 -6.242 -6.928 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.676 -4.709 -11.477 1.00 0.00 N ATOM 1414 CA GLN A 89 -8.233 -3.614 -12.311 1.00 0.00 C ATOM 1415 C GLN A 89 -9.501 -3.038 -11.657 1.00 0.00 C ATOM 1416 O GLN A 89 -9.671 -1.832 -11.614 1.00 0.00 O ATOM 1417 CB GLN A 89 -8.483 -3.976 -13.796 1.00 0.00 C ATOM 1418 CG GLN A 89 -9.145 -5.327 -13.963 1.00 0.00 C ATOM 1419 CD GLN A 89 -10.568 -5.340 -14.491 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -11.480 -5.365 -13.513 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -10.811 -5.375 -15.690 1.00 0.00 N flip ATOM 0 H GLN A 89 -7.707 -5.657 -11.852 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.454 -2.852 -12.347 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.110 -3.210 -14.252 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.534 -3.972 -14.332 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.529 -5.924 -14.636 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.139 -5.829 -12.995 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.048 -5.351 -16.366 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.777 -5.428 -16.013 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.351 -3.947 -11.119 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.597 -3.492 -10.502 1.00 0.00 C ATOM 1432 C ALA A 90 -11.341 -2.872 -9.119 1.00 0.00 C ATOM 1433 O ALA A 90 -12.093 -2.026 -8.645 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.547 -4.711 -10.336 1.00 0.00 C ATOM 0 H ALA A 90 -10.197 -4.955 -11.104 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.044 -2.733 -11.144 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.480 -4.385 -9.877 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.756 -5.145 -11.314 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.072 -5.459 -9.701 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.228 -3.304 -8.509 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.850 -2.749 -7.218 1.00 0.00 C ATOM 1442 C LEU A 91 -9.307 -1.334 -7.408 1.00 0.00 C ATOM 1443 O LEU A 91 -9.712 -0.404 -6.739 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.859 -3.724 -6.554 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.829 -3.093 -5.612 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.285 -4.071 -4.574 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.656 -2.483 -6.409 1.00 0.00 C ATOM 0 H LEU A 91 -9.596 -4.014 -8.880 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.703 -2.648 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.429 -4.465 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.325 -4.259 -7.339 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.359 -2.308 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.561 -3.562 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.105 -4.445 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.800 -4.906 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.938 -2.041 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.167 -3.264 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.034 -1.713 -7.081 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.462 -1.223 -8.438 1.00 0.00 N ATOM 1460 CA VAL A 92 -7.797 0.034 -8.720 1.00 0.00 C ATOM 1461 C VAL A 92 -8.789 1.071 -9.321 1.00 0.00 C ATOM 1462 O VAL A 92 -8.675 2.258 -9.062 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.565 -0.323 -9.587 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -5.823 0.869 -10.096 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.444 -1.058 -8.835 1.00 0.00 C ATOM 0 H VAL A 92 -8.230 -1.983 -9.078 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.440 0.546 -7.827 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.036 -0.926 -10.363 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.973 0.540 -10.695 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.487 1.476 -10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.466 1.462 -9.254 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.623 -1.267 -9.520 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.084 -0.433 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.829 -1.995 -8.433 1.00 0.00 H new ATOM 1475 N GLN A 93 -9.760 0.556 -10.116 1.00 0.00 N ATOM 1476 CA GLN A 93 -10.759 1.378 -10.794 1.00 0.00 C ATOM 1477 C GLN A 93 -11.692 2.051 -9.706 1.00 0.00 C ATOM 1478 O GLN A 93 -11.992 3.235 -9.734 1.00 0.00 O ATOM 1479 CB GLN A 93 -11.680 0.619 -11.793 1.00 0.00 C ATOM 1480 CG GLN A 93 -12.901 -0.089 -11.215 1.00 0.00 C ATOM 1481 CD GLN A 93 -13.607 -0.944 -12.265 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -13.409 -0.816 -13.465 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.456 -1.817 -11.714 1.00 0.00 N ATOM 0 H GLN A 93 -9.861 -0.443 -10.297 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.187 2.097 -11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.026 1.331 -12.542 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.075 -0.123 -12.314 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.595 -0.718 -10.379 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -13.597 0.650 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.560 -1.857 -10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.000 -2.443 -12.307 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.020 1.229 -8.684 1.00 0.00 N ATOM 1493 CA HIS A 94 -12.934 1.713 -7.649 1.00 0.00 C ATOM 1494 C HIS A 94 -12.204 2.778 -6.818 1.00 0.00 C ATOM 1495 O HIS A 94 -12.717 3.862 -6.555 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.327 0.507 -6.787 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.392 0.880 -5.785 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -15.755 1.115 -6.027 1.00 0.00 N flip ATOM 1499 CD2 HIS A 94 -14.155 1.038 -4.467 1.00 0.00 C flip ATOM 1500 CE1 HIS A 94 -16.323 1.415 -4.838 1.00 0.00 C flip ATOM 1501 NE2 HIS A 94 -15.338 1.357 -3.924 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.680 0.275 -8.563 1.00 0.00 H new ATOM 0 HA HIS A 94 -13.832 2.164 -8.071 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.690 -0.298 -7.426 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.449 0.128 -6.265 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -16.227 1.068 -6.930 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.210 0.930 -3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.361 1.654 -4.658 1.00 0.00 H new ATOM 1509 N TYR A 95 -10.923 2.438 -6.555 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.076 3.386 -5.847 1.00 0.00 C ATOM 1511 C TYR A 95 -9.696 4.572 -6.797 1.00 0.00 C ATOM 1512 O TYR A 95 -9.174 5.575 -6.324 1.00 0.00 O ATOM 1513 CB TYR A 95 -8.819 2.711 -5.275 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.133 1.790 -4.132 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -9.839 2.205 -3.016 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -8.693 0.495 -4.169 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.178 1.352 -1.984 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -8.941 -0.382 -3.150 1.00 0.00 C ATOM 1519 CZ TYR A 95 -9.699 0.041 -2.031 1.00 0.00 C ATOM 1520 OH TYR A 95 -9.984 -0.775 -0.957 1.00 0.00 O ATOM 0 H TYR A 95 -10.481 1.556 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 95 -10.638 3.778 -4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.321 2.149 -6.065 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.120 3.477 -4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.138 3.241 -2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.133 0.156 -5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.796 1.689 -1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.561 -1.392 -3.198 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.803 -1.708 -1.198 1.00 0.00 H new ATOM 1530 N SER A 96 -9.978 4.401 -8.137 1.00 0.00 N ATOM 1531 CA SER A 96 -9.708 5.463 -9.116 1.00 0.00 C ATOM 1532 C SER A 96 -10.837 6.510 -9.142 1.00 0.00 C ATOM 1533 O SER A 96 -10.768 7.453 -9.922 1.00 0.00 O ATOM 1534 CB SER A 96 -9.545 4.985 -10.585 1.00 0.00 C ATOM 1535 OG SER A 96 -8.099 4.553 -10.770 1.00 0.00 O ATOM 0 H SER A 96 -10.382 3.552 -8.533 1.00 0.00 H new ATOM 0 HA SER A 96 -8.759 5.873 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.222 4.157 -10.796 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.797 5.787 -11.279 1.00 0.00 H new ATOM 0 HG SER A 96 -7.965 4.243 -11.690 1.00 0.00 H new ATOM 1541 N LYS A 97 -11.919 6.322 -8.337 1.00 0.00 N ATOM 1542 CA LYS A 97 -12.999 7.329 -8.367 1.00 0.00 C ATOM 1543 C LYS A 97 -12.992 8.245 -7.155 1.00 0.00 C ATOM 1544 O LYS A 97 -13.121 9.460 -7.307 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.364 6.628 -8.459 1.00 0.00 C ATOM 1546 CG LYS A 97 -14.806 6.375 -9.898 1.00 0.00 C ATOM 1547 CD LYS A 97 -14.118 5.159 -10.516 1.00 0.00 C ATOM 1548 CE LYS A 97 -14.638 4.868 -11.930 1.00 0.00 C ATOM 1549 NZ LYS A 97 -15.039 3.477 -12.113 1.00 0.00 N ATOM 0 H LYS A 97 -12.058 5.536 -7.702 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.823 7.949 -9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.315 5.678 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.114 7.237 -7.956 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -15.886 6.229 -9.923 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.590 7.257 -10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -13.042 5.329 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.281 4.288 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -15.489 5.517 -12.139 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.863 5.116 -12.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -15.381 3.339 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -14.223 2.855 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.799 3.244 -11.442 1.00 0.00 H new ATOM 1563 N LYS A 98 -12.887 7.638 -5.970 1.00 0.00 N ATOM 1564 CA LYS A 98 -12.881 8.511 -4.789 1.00 0.00 C ATOM 1565 C LYS A 98 -12.186 7.892 -3.602 1.00 0.00 C ATOM 1566 O LYS A 98 -12.266 8.406 -2.494 1.00 0.00 O ATOM 1567 CB LYS A 98 -14.258 9.057 -4.424 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.279 7.952 -4.637 1.00 0.00 C ATOM 1569 CD LYS A 98 -15.287 6.714 -3.869 1.00 0.00 C ATOM 1570 CE LYS A 98 -14.728 5.522 -4.724 1.00 0.00 C ATOM 1571 NZ LYS A 98 -15.544 4.368 -4.609 1.00 0.00 N ATOM 0 H LYS A 98 -12.811 6.635 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.286 9.375 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.271 9.392 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -14.500 9.922 -5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.260 8.407 -4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.207 7.664 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.684 6.836 -2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.303 6.489 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.666 5.822 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.715 5.285 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.951 3.544 -4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.242 4.510 -3.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -16.039 4.202 -5.508 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.526 6.757 -3.861 1.00 0.00 N ATOM 1586 CA GLY A 99 -10.829 6.023 -2.809 1.00 0.00 C ATOM 1587 C GLY A 99 -11.799 5.185 -1.958 1.00 0.00 C ATOM 1588 O GLY A 99 -11.511 4.073 -1.548 1.00 0.00 O ATOM 0 H GLY A 99 -11.462 6.332 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.080 5.369 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.296 6.725 -2.168 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.954 5.809 -1.680 1.00 0.00 N ATOM 1593 CA ASP A 100 -14.033 5.225 -0.901 1.00 0.00 C ATOM 1594 C ASP A 100 -13.746 5.041 0.623 1.00 0.00 C ATOM 1595 O ASP A 100 -14.649 4.942 1.444 1.00 0.00 O ATOM 1596 CB ASP A 100 -14.592 4.107 -1.706 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.922 3.498 -1.245 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -16.812 4.228 -1.571 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.087 2.422 -0.621 1.00 0.00 O ATOM 0 H ASP A 100 -13.159 6.755 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.855 5.924 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.721 4.461 -2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.849 3.310 -1.736 1.00 0.00 H new ATOM 1604 N GLY A 101 -12.446 5.058 0.937 1.00 0.00 N ATOM 1605 CA GLY A 101 -12.003 4.942 2.321 1.00 0.00 C ATOM 1606 C GLY A 101 -10.489 4.763 2.507 1.00 0.00 C ATOM 1607 O GLY A 101 -10.053 4.341 3.570 1.00 0.00 O ATOM 0 H GLY A 101 -11.693 5.150 0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.317 5.834 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.513 4.095 2.780 1.00 0.00 H new ATOM 1611 N LEU A 102 -9.705 5.098 1.454 1.00 0.00 N ATOM 1612 CA LEU A 102 -8.250 4.984 1.572 1.00 0.00 C ATOM 1613 C LEU A 102 -7.731 6.305 2.182 1.00 0.00 C ATOM 1614 O LEU A 102 -7.666 6.455 3.396 1.00 0.00 O ATOM 1615 CB LEU A 102 -7.601 4.704 0.191 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.686 3.247 -0.305 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -6.919 3.099 -1.633 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -7.122 2.216 0.694 1.00 0.00 C ATOM 0 H LEU A 102 -10.046 5.435 0.554 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.983 4.145 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.074 5.349 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.551 4.991 0.239 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.749 3.038 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.983 2.067 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.357 3.759 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.873 3.366 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.216 1.214 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.071 2.432 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.680 2.272 1.629 1.00 0.00 H new ATOM 1630 N CYS A 103 -7.346 7.233 1.283 1.00 0.00 N ATOM 1631 CA CYS A 103 -6.834 8.524 1.734 1.00 0.00 C ATOM 1632 C CYS A 103 -6.763 9.507 0.554 1.00 0.00 C ATOM 1633 O CYS A 103 -7.266 10.621 0.616 1.00 0.00 O ATOM 1634 CB CYS A 103 -5.478 8.342 2.426 1.00 0.00 C ATOM 1635 SG CYS A 103 -4.451 7.143 1.547 1.00 0.00 S ATOM 0 H CYS A 103 -7.381 7.111 0.271 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.516 8.951 2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.961 9.300 2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.632 8.009 3.452 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.535 5.987 2.135 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.111 9.014 -0.525 1.00 0.00 N ATOM 1642 CA GLN A 104 -5.931 9.793 -1.733 1.00 0.00 C ATOM 1643 C GLN A 104 -6.024 8.774 -2.855 1.00 0.00 C ATOM 1644 O GLN A 104 -5.144 7.956 -3.112 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.510 10.428 -1.752 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.257 11.552 -0.720 1.00 0.00 C ATOM 1647 CD GLN A 104 -4.087 10.986 0.675 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -3.393 10.000 0.869 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -4.728 11.676 1.630 1.00 0.00 N ATOM 0 H GLN A 104 -5.707 8.078 -0.565 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.662 10.597 -1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.778 9.638 -1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.326 10.829 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.365 12.112 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.091 12.254 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.289 12.491 1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.655 11.386 2.605 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.137 8.989 -3.554 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.536 8.213 -4.692 1.00 0.00 C ATOM 1660 C LYS A 105 -6.540 8.467 -5.824 1.00 0.00 C ATOM 1661 O LYS A 105 -5.674 9.326 -5.743 1.00 0.00 O ATOM 1662 CB LYS A 105 -8.982 8.561 -5.005 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.259 9.979 -5.533 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.022 10.132 -7.025 1.00 0.00 C ATOM 1665 CE LYS A 105 -9.932 9.206 -7.806 1.00 0.00 C ATOM 1666 NZ LYS A 105 -10.731 9.926 -8.798 1.00 0.00 N ATOM 0 H LYS A 105 -7.795 9.734 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.511 7.137 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.351 7.847 -5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.569 8.416 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.292 10.245 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.625 10.686 -4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.202 11.165 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.981 9.910 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.332 8.446 -8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.596 8.684 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.872 9.324 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.655 10.171 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.235 10.796 -9.078 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.747 7.690 -6.888 1.00 0.00 N ATOM 1681 CA LEU A 106 -5.865 7.749 -8.052 1.00 0.00 C ATOM 1682 C LEU A 106 -6.176 8.945 -8.968 1.00 0.00 C ATOM 1683 O LEU A 106 -7.309 9.156 -9.385 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.020 6.496 -8.936 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.033 5.158 -8.164 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -5.611 3.885 -8.940 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.094 5.238 -6.983 1.00 0.00 C ATOM 0 H LEU A 106 -7.511 7.019 -6.967 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.860 7.833 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.947 6.581 -9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.204 6.475 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.086 5.044 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.666 3.021 -8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.280 3.737 -9.787 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.589 4.001 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.108 4.291 -6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.083 5.440 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.414 6.040 -6.318 1.00 0.00 H new ATOM 1699 N THR A 107 -5.104 9.691 -9.254 1.00 0.00 N ATOM 1700 CA THR A 107 -5.257 10.846 -10.134 1.00 0.00 C ATOM 1701 C THR A 107 -4.495 10.596 -11.465 1.00 0.00 C ATOM 1702 O THR A 107 -5.075 10.613 -12.542 1.00 0.00 O ATOM 1703 CB THR A 107 -4.769 12.134 -9.465 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.353 11.819 -9.195 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.482 12.323 -8.090 1.00 0.00 C ATOM 0 H THR A 107 -4.160 9.524 -8.905 1.00 0.00 H new ATOM 0 HA THR A 107 -6.318 10.975 -10.347 1.00 0.00 H new ATOM 0 HB THR A 107 -4.945 13.027 -10.065 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.057 12.304 -8.397 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.129 13.241 -7.621 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.559 12.385 -8.244 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.256 11.475 -7.443 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.177 10.345 -11.310 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.268 10.098 -12.420 1.00 0.00 C ATOM 1715 C LEU A 108 -1.299 8.964 -12.070 1.00 0.00 C ATOM 1716 O LEU A 108 -0.338 9.211 -11.369 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.490 11.326 -12.831 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.342 12.343 -13.605 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.151 13.778 -13.108 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -2.014 12.244 -15.098 1.00 0.00 C ATOM 0 H LEU A 108 -2.723 10.311 -10.397 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.887 9.811 -13.270 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.081 11.805 -11.942 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.644 11.024 -13.448 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.390 12.096 -13.434 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.778 14.452 -13.692 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.433 13.840 -12.057 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.106 14.066 -13.221 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.617 12.964 -15.651 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.957 12.460 -15.253 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.235 11.237 -15.453 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.576 7.718 -12.541 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.731 6.554 -12.265 1.00 0.00 C ATOM 1734 C PRO A 109 0.681 6.763 -12.824 1.00 0.00 C ATOM 1735 O PRO A 109 0.989 6.443 -13.963 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.375 5.370 -12.987 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.603 5.935 -13.689 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.656 7.457 -13.447 1.00 0.00 C ATOM 0 HA PRO A 109 -0.650 6.390 -11.190 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.684 4.925 -13.703 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.653 4.586 -12.283 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.558 5.724 -14.757 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.507 5.460 -13.308 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.535 8.011 -14.378 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.613 7.757 -13.020 1.00 0.00 H new ATOM 1746 N CYS A 110 1.513 7.260 -11.909 1.00 0.00 N ATOM 1747 CA CYS A 110 2.920 7.574 -12.181 1.00 0.00 C ATOM 1748 C CYS A 110 3.106 8.262 -13.558 1.00 0.00 C ATOM 1749 O CYS A 110 2.155 8.753 -14.153 1.00 0.00 O ATOM 1750 CB CYS A 110 3.728 6.277 -12.079 1.00 0.00 C ATOM 1751 SG CYS A 110 5.376 6.499 -11.385 1.00 0.00 S ATOM 0 H CYS A 110 1.229 7.458 -10.950 1.00 0.00 H new ATOM 0 HA CYS A 110 3.281 8.290 -11.443 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.178 5.565 -11.464 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.818 5.837 -13.072 1.00 0.00 H new ATOM 0 HG CYS A 110 6.117 5.475 -11.689 1.00 0.00 H new