USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 ASN : amide:sc= 0.923 K(o=0.92,f=-3.5) USER MOD Set 1.2: A 90 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 14 MET CE :methyl -173:sc= -0.772 (180deg=-0.828) USER MOD Set 2.2: A 41 CYS SG : rot 80:sc= -0.227 USER MOD Set 2.3: A 43 ASN : amide:sc= 0.43 K(o=-0.57,f=-7.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -140:sc= -0.0195 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.00071) USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0214) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00134 USER MOD Single : A 37 SER OG : rot 3:sc= 0.161 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 4:sc= 0.445 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 1.03 K(o=1,f=-0.25) USER MOD Single : A 62 THR OG1 : rot -32:sc= 0.149 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 35:sc= -0.0303 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.826 K(o=0.83,f=-0.017) USER MOD Single : A 82 LYS NZ :NH3+ -110:sc= 0.957 (180deg=0.532) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN :FLIP amide:sc= -0.0387 F(o=-0.84,f=-0.039) USER MOD Single : A 93 SER OG : rot 180:sc= 0.00274 USER MOD Single : A 95 SER OG : rot 74:sc= 0.0907 USER MOD Single : A 97 THR OG1 : rot -170:sc= -1.27 USER MOD Single : A 99 CYS SG : rot -48:sc= 0.593 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0.311 K(o=0.31,f=-5.3!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 164 N MET A 14 -1.296 12.633 -0.753 1.00 65.34 N ATOM 165 CA MET A 14 -0.406 12.465 0.388 1.00 24.12 C ATOM 166 C MET A 14 1.040 12.556 -0.099 1.00 50.31 C ATOM 167 O MET A 14 1.348 12.311 -1.265 1.00 2.33 O ATOM 168 CB MET A 14 -0.689 11.166 1.159 1.00 3.22 C ATOM 169 CG MET A 14 -2.175 10.854 1.266 1.00 72.44 C ATOM 170 SD MET A 14 -2.646 10.088 2.824 1.00 11.04 S ATOM 171 CE MET A 14 -1.404 8.812 3.071 1.00 43.42 C ATOM 0 HA MET A 14 -0.586 13.266 1.105 1.00 24.12 H new ATOM 0 HB2 MET A 14 -0.183 10.337 0.663 1.00 3.22 H new ATOM 0 HB3 MET A 14 -0.266 11.244 2.161 1.00 3.22 H new ATOM 0 HG2 MET A 14 -2.740 11.777 1.140 1.00 72.44 H new ATOM 0 HG3 MET A 14 -2.458 10.193 0.447 1.00 72.44 H new ATOM 0 HE1 MET A 14 -1.674 8.204 3.934 1.00 43.42 H new ATOM 0 HE2 MET A 14 -1.350 8.180 2.184 1.00 43.42 H new ATOM 0 HE3 MET A 14 -0.434 9.277 3.244 1.00 43.42 H new ATOM 181 N LYS A 15 1.943 12.943 0.798 1.00 50.22 N ATOM 182 CA LYS A 15 3.320 13.294 0.476 1.00 45.12 C ATOM 183 C LYS A 15 4.223 12.536 1.418 1.00 51.01 C ATOM 184 O LYS A 15 4.336 12.850 2.611 1.00 3.44 O ATOM 185 CB LYS A 15 3.553 14.804 0.546 1.00 50.23 C ATOM 186 CG LYS A 15 2.688 15.564 -0.467 1.00 61.22 C ATOM 187 CD LYS A 15 2.941 17.081 -0.438 1.00 44.11 C ATOM 188 CE LYS A 15 2.458 17.717 0.878 1.00 33.34 C ATOM 189 NZ LYS A 15 1.306 18.626 0.699 1.00 4.34 N ATOM 0 H LYS A 15 1.731 13.023 1.792 1.00 50.22 H new ATOM 0 HA LYS A 15 3.544 13.012 -0.553 1.00 45.12 H new ATOM 0 HB2 LYS A 15 3.330 15.159 1.552 1.00 50.23 H new ATOM 0 HB3 LYS A 15 4.605 15.018 0.358 1.00 50.23 H new ATOM 0 HG2 LYS A 15 2.890 15.185 -1.469 1.00 61.22 H new ATOM 0 HG3 LYS A 15 1.636 15.371 -0.259 1.00 61.22 H new ATOM 0 HD2 LYS A 15 4.006 17.274 -0.565 1.00 44.11 H new ATOM 0 HD3 LYS A 15 2.429 17.551 -1.278 1.00 44.11 H new ATOM 0 HE2 LYS A 15 2.183 16.926 1.576 1.00 33.34 H new ATOM 0 HE3 LYS A 15 3.281 18.270 1.330 1.00 33.34 H new ATOM 0 HZ1 LYS A 15 1.029 19.021 1.620 1.00 4.34 H new ATOM 0 HZ2 LYS A 15 1.571 19.399 0.056 1.00 4.34 H new ATOM 0 HZ3 LYS A 15 0.507 18.098 0.295 1.00 4.34 H new ATOM 203 N TRP A 16 4.842 11.504 0.882 1.00 63.44 N ATOM 204 CA TRP A 16 5.622 10.550 1.648 1.00 72.10 C ATOM 205 C TRP A 16 7.072 11.008 1.680 1.00 32.35 C ATOM 206 O TRP A 16 7.600 11.454 0.657 1.00 25.52 O ATOM 207 CB TRP A 16 5.470 9.160 1.027 1.00 30.32 C ATOM 208 CG TRP A 16 4.057 8.676 0.901 1.00 51.34 C ATOM 209 CD1 TRP A 16 3.230 8.936 -0.137 1.00 23.12 C ATOM 210 CD2 TRP A 16 3.277 7.863 1.827 1.00 12.42 C ATOM 211 NE1 TRP A 16 2.010 8.333 0.073 1.00 44.23 N ATOM 212 CE2 TRP A 16 1.980 7.655 1.271 1.00 22.55 C ATOM 213 CE3 TRP A 16 3.542 7.269 3.077 1.00 63.40 C ATOM 214 CZ2 TRP A 16 1.004 6.890 1.926 1.00 61.33 C ATOM 215 CZ3 TRP A 16 2.552 6.545 3.768 1.00 21.35 C ATOM 216 CH2 TRP A 16 1.282 6.359 3.196 1.00 10.11 C ATOM 0 H TRP A 16 4.817 11.300 -0.117 1.00 63.44 H new ATOM 0 HA TRP A 16 5.265 10.494 2.676 1.00 72.10 H new ATOM 0 HB2 TRP A 16 5.925 9.169 0.037 1.00 30.32 H new ATOM 0 HB3 TRP A 16 6.031 8.446 1.629 1.00 30.32 H new ATOM 0 HD1 TRP A 16 3.488 9.529 -1.002 1.00 23.12 H new ATOM 0 HE1 TRP A 16 1.226 8.382 -0.578 1.00 44.23 H new ATOM 0 HE3 TRP A 16 4.524 7.371 3.514 1.00 63.40 H new ATOM 0 HZ2 TRP A 16 0.047 6.711 1.458 1.00 61.33 H new ATOM 0 HZ3 TRP A 16 2.769 6.131 4.741 1.00 21.35 H new ATOM 0 HH2 TRP A 16 0.522 5.809 3.731 1.00 10.11 H new ATOM 227 N SER A 17 7.729 10.884 2.835 1.00 61.54 N ATOM 228 CA SER A 17 9.149 11.201 2.969 1.00 22.35 C ATOM 229 C SER A 17 10.019 10.019 3.420 1.00 41.21 C ATOM 230 O SER A 17 11.228 10.187 3.561 1.00 53.33 O ATOM 231 CB SER A 17 9.299 12.420 3.867 1.00 24.55 C ATOM 232 OG SER A 17 8.471 13.472 3.411 1.00 64.44 O ATOM 0 H SER A 17 7.293 10.562 3.699 1.00 61.54 H new ATOM 0 HA SER A 17 9.533 11.434 1.976 1.00 22.35 H new ATOM 0 HB2 SER A 17 9.036 12.159 4.892 1.00 24.55 H new ATOM 0 HB3 SER A 17 10.339 12.746 3.878 1.00 24.55 H new ATOM 0 HG SER A 17 8.949 14.324 3.494 1.00 64.44 H new ATOM 238 N LYS A 18 9.468 8.813 3.570 1.00 5.31 N ATOM 239 CA LYS A 18 10.195 7.581 3.229 1.00 71.51 C ATOM 240 C LYS A 18 9.323 6.882 2.197 1.00 25.13 C ATOM 241 O LYS A 18 8.105 6.906 2.371 1.00 72.42 O ATOM 242 CB LYS A 18 10.433 6.639 4.427 1.00 12.01 C ATOM 243 CG LYS A 18 11.793 6.802 5.116 1.00 30.34 C ATOM 244 CD LYS A 18 11.992 8.090 5.926 1.00 12.33 C ATOM 245 CE LYS A 18 13.237 8.820 5.409 1.00 65.50 C ATOM 246 NZ LYS A 18 13.501 10.064 6.150 1.00 12.12 N ATOM 0 H LYS A 18 8.524 8.660 3.924 1.00 5.31 H new ATOM 0 HA LYS A 18 11.192 7.835 2.869 1.00 71.51 H new ATOM 0 HB2 LYS A 18 9.647 6.806 5.163 1.00 12.01 H new ATOM 0 HB3 LYS A 18 10.336 5.609 4.085 1.00 12.01 H new ATOM 0 HG2 LYS A 18 11.944 5.952 5.781 1.00 30.34 H new ATOM 0 HG3 LYS A 18 12.571 6.753 4.354 1.00 30.34 H new ATOM 0 HD2 LYS A 18 11.115 8.731 5.835 1.00 12.33 H new ATOM 0 HD3 LYS A 18 12.106 7.855 6.984 1.00 12.33 H new ATOM 0 HE2 LYS A 18 14.102 8.161 5.489 1.00 65.50 H new ATOM 0 HE3 LYS A 18 13.108 9.050 4.351 1.00 65.50 H new ATOM 0 HZ1 LYS A 18 14.351 10.523 5.766 1.00 12.12 H new ATOM 0 HZ2 LYS A 18 12.688 10.705 6.053 1.00 12.12 H new ATOM 0 HZ3 LYS A 18 13.651 9.844 7.155 1.00 12.12 H new ATOM 260 N VAL A 19 9.929 6.256 1.193 1.00 10.42 N ATOM 261 CA VAL A 19 9.347 5.258 0.296 1.00 12.12 C ATOM 262 C VAL A 19 10.484 4.298 -0.091 1.00 61.51 C ATOM 263 O VAL A 19 11.661 4.685 -0.029 1.00 72.33 O ATOM 264 CB VAL A 19 8.687 5.914 -0.943 1.00 65.44 C ATOM 265 CG1 VAL A 19 7.413 6.695 -0.596 1.00 30.14 C ATOM 266 CG2 VAL A 19 9.608 6.887 -1.694 1.00 62.22 C ATOM 0 H VAL A 19 10.906 6.444 0.968 1.00 10.42 H new ATOM 0 HA VAL A 19 8.543 4.714 0.791 1.00 12.12 H new ATOM 0 HB VAL A 19 8.455 5.060 -1.580 1.00 65.44 H new ATOM 0 HG11 VAL A 19 6.996 7.132 -1.503 1.00 30.14 H new ATOM 0 HG12 VAL A 19 6.683 6.020 -0.149 1.00 30.14 H new ATOM 0 HG13 VAL A 19 7.654 7.489 0.111 1.00 30.14 H new ATOM 0 HG21 VAL A 19 9.076 7.306 -2.548 1.00 62.22 H new ATOM 0 HG22 VAL A 19 9.910 7.692 -1.024 1.00 62.22 H new ATOM 0 HG23 VAL A 19 10.493 6.354 -2.043 1.00 62.22 H new ATOM 276 N PRO A 20 10.176 3.053 -0.472 1.00 71.22 N ATOM 277 CA PRO A 20 11.149 2.103 -0.984 1.00 65.24 C ATOM 278 C PRO A 20 11.564 2.473 -2.412 1.00 50.31 C ATOM 279 O PRO A 20 10.870 3.216 -3.117 1.00 22.21 O ATOM 280 CB PRO A 20 10.424 0.759 -0.971 1.00 3.45 C ATOM 281 CG PRO A 20 8.982 1.170 -1.232 1.00 74.52 C ATOM 282 CD PRO A 20 8.855 2.459 -0.450 1.00 44.43 C ATOM 0 HA PRO A 20 12.061 2.087 -0.388 1.00 65.24 H new ATOM 0 HB2 PRO A 20 10.801 0.085 -1.740 1.00 3.45 H new ATOM 0 HB3 PRO A 20 10.535 0.246 -0.016 1.00 3.45 H new ATOM 0 HG2 PRO A 20 8.790 1.321 -2.294 1.00 74.52 H new ATOM 0 HG3 PRO A 20 8.277 0.415 -0.885 1.00 74.52 H new ATOM 0 HD2 PRO A 20 8.118 3.122 -0.903 1.00 44.43 H new ATOM 0 HD3 PRO A 20 8.527 2.268 0.572 1.00 44.43 H new ATOM 290 N SER A 21 12.668 1.897 -2.871 1.00 65.13 N ATOM 291 CA SER A 21 13.199 2.111 -4.211 1.00 33.22 C ATOM 292 C SER A 21 12.403 1.344 -5.273 1.00 44.20 C ATOM 293 O SER A 21 12.524 1.647 -6.461 1.00 65.24 O ATOM 294 CB SER A 21 14.655 1.646 -4.267 1.00 24.15 C ATOM 295 OG SER A 21 15.316 1.766 -3.017 1.00 2.42 O ATOM 0 H SER A 21 13.230 1.256 -2.311 1.00 65.13 H new ATOM 0 HA SER A 21 13.122 3.177 -4.424 1.00 33.22 H new ATOM 0 HB2 SER A 21 14.688 0.606 -4.593 1.00 24.15 H new ATOM 0 HB3 SER A 21 15.191 2.231 -5.014 1.00 24.15 H new ATOM 0 HG SER A 21 16.241 1.455 -3.105 1.00 2.42 H new ATOM 301 N GLY A 22 11.615 0.333 -4.892 1.00 44.32 N ATOM 302 CA GLY A 22 10.884 -0.484 -5.853 1.00 3.12 C ATOM 303 C GLY A 22 9.674 0.244 -6.432 1.00 41.02 C ATOM 304 O GLY A 22 9.251 -0.064 -7.548 1.00 63.41 O ATOM 0 H GLY A 22 11.470 0.064 -3.919 1.00 44.32 H new ATOM 0 HA2 GLY A 22 11.553 -0.773 -6.663 1.00 3.12 H new ATOM 0 HA3 GLY A 22 10.554 -1.403 -5.368 1.00 3.12 H new ATOM 308 N LEU A 23 9.134 1.224 -5.701 1.00 34.15 N ATOM 309 CA LEU A 23 8.059 2.114 -6.119 1.00 2.21 C ATOM 310 C LEU A 23 8.437 2.864 -7.397 1.00 24.13 C ATOM 311 O LEU A 23 9.337 3.706 -7.382 1.00 54.13 O ATOM 312 CB LEU A 23 7.740 3.048 -4.941 1.00 12.21 C ATOM 313 CG LEU A 23 6.756 4.184 -5.294 1.00 43.04 C ATOM 314 CD1 LEU A 23 5.557 4.194 -4.356 1.00 13.13 C ATOM 315 CD2 LEU A 23 7.452 5.545 -5.197 1.00 54.21 C ATOM 0 H LEU A 23 9.455 1.424 -4.754 1.00 34.15 H new ATOM 0 HA LEU A 23 7.160 1.551 -6.371 1.00 2.21 H new ATOM 0 HB2 LEU A 23 7.322 2.458 -4.125 1.00 12.21 H new ATOM 0 HB3 LEU A 23 8.669 3.485 -4.575 1.00 12.21 H new ATOM 0 HG LEU A 23 6.415 4.005 -6.314 1.00 43.04 H new ATOM 0 HD11 LEU A 23 4.885 5.006 -4.633 1.00 13.13 H new ATOM 0 HD12 LEU A 23 5.028 3.244 -4.431 1.00 13.13 H new ATOM 0 HD13 LEU A 23 5.898 4.339 -3.331 1.00 13.13 H new ATOM 0 HD21 LEU A 23 6.744 6.335 -5.449 1.00 54.21 H new ATOM 0 HD22 LEU A 23 7.817 5.696 -4.181 1.00 54.21 H new ATOM 0 HD23 LEU A 23 8.291 5.575 -5.892 1.00 54.21 H new ATOM 327 N LYS A 24 7.727 2.580 -8.490 1.00 3.35 N ATOM 328 CA LYS A 24 7.895 3.215 -9.791 1.00 34.41 C ATOM 329 C LYS A 24 6.545 3.711 -10.278 1.00 41.41 C ATOM 330 O LYS A 24 5.750 2.923 -10.793 1.00 1.42 O ATOM 331 CB LYS A 24 8.507 2.231 -10.801 1.00 70.53 C ATOM 332 CG LYS A 24 10.036 2.207 -10.725 1.00 72.10 C ATOM 333 CD LYS A 24 10.616 1.497 -11.949 1.00 13.04 C ATOM 334 CE LYS A 24 12.113 1.781 -12.067 1.00 63.54 C ATOM 335 NZ LYS A 24 12.691 1.134 -13.262 1.00 54.23 N ATOM 0 H LYS A 24 6.991 1.873 -8.489 1.00 3.35 H new ATOM 0 HA LYS A 24 8.578 4.059 -9.695 1.00 34.41 H new ATOM 0 HB2 LYS A 24 8.119 1.230 -10.612 1.00 70.53 H new ATOM 0 HB3 LYS A 24 8.199 2.508 -11.809 1.00 70.53 H new ATOM 0 HG2 LYS A 24 10.420 3.226 -10.671 1.00 72.10 H new ATOM 0 HG3 LYS A 24 10.354 1.697 -9.816 1.00 72.10 H new ATOM 0 HD2 LYS A 24 10.448 0.423 -11.869 1.00 13.04 H new ATOM 0 HD3 LYS A 24 10.103 1.833 -12.850 1.00 13.04 H new ATOM 0 HE2 LYS A 24 12.278 2.857 -12.118 1.00 63.54 H new ATOM 0 HE3 LYS A 24 12.625 1.422 -11.174 1.00 63.54 H new ATOM 0 HZ1 LYS A 24 13.708 1.346 -13.314 1.00 54.23 H new ATOM 0 HZ2 LYS A 24 12.554 0.105 -13.200 1.00 54.23 H new ATOM 0 HZ3 LYS A 24 12.218 1.495 -14.115 1.00 54.23 H new ATOM 349 N ASN A 25 6.292 5.015 -10.126 1.00 54.00 N ATOM 350 CA ASN A 25 5.059 5.681 -10.559 1.00 12.41 C ATOM 351 C ASN A 25 3.846 4.917 -10.006 1.00 63.42 C ATOM 352 O ASN A 25 2.996 4.429 -10.750 1.00 31.31 O ATOM 353 CB ASN A 25 5.083 5.841 -12.094 1.00 1.02 C ATOM 354 CG ASN A 25 4.308 7.048 -12.604 1.00 72.12 C ATOM 355 OD1 ASN A 25 3.129 7.238 -12.328 1.00 61.52 O ATOM 356 ND2 ASN A 25 4.962 7.928 -13.346 1.00 41.10 N ATOM 0 H ASN A 25 6.956 5.653 -9.687 1.00 54.00 H new ATOM 0 HA ASN A 25 4.980 6.690 -10.155 1.00 12.41 H new ATOM 0 HB2 ASN A 25 6.119 5.921 -12.424 1.00 1.02 H new ATOM 0 HB3 ASN A 25 4.672 4.940 -12.549 1.00 1.02 H new ATOM 0 HD21 ASN A 25 4.485 8.762 -13.687 1.00 41.10 H new ATOM 0 HD22 ASN A 25 5.943 7.772 -13.577 1.00 41.10 H new ATOM 363 N GLY A 26 3.862 4.709 -8.685 1.00 32.21 N ATOM 364 CA GLY A 26 2.833 4.008 -7.923 1.00 45.14 C ATOM 365 C GLY A 26 2.925 2.483 -7.975 1.00 52.00 C ATOM 366 O GLY A 26 2.255 1.806 -7.194 1.00 4.03 O ATOM 0 H GLY A 26 4.626 5.040 -8.096 1.00 32.21 H new ATOM 0 HA2 GLY A 26 2.891 4.326 -6.882 1.00 45.14 H new ATOM 0 HA3 GLY A 26 1.855 4.312 -8.295 1.00 45.14 H new ATOM 370 N GLU A 27 3.756 1.922 -8.855 1.00 74.12 N ATOM 371 CA GLU A 27 3.791 0.496 -9.122 1.00 21.54 C ATOM 372 C GLU A 27 5.017 -0.133 -8.453 1.00 64.50 C ATOM 373 O GLU A 27 6.145 0.211 -8.808 1.00 70.50 O ATOM 374 CB GLU A 27 3.802 0.269 -10.646 1.00 22.42 C ATOM 375 CG GLU A 27 3.306 -1.148 -10.901 1.00 65.10 C ATOM 376 CD GLU A 27 3.592 -1.685 -12.297 1.00 23.54 C ATOM 377 OE1 GLU A 27 3.082 -1.113 -13.285 1.00 32.42 O ATOM 378 OE2 GLU A 27 4.204 -2.779 -12.361 1.00 62.32 O ATOM 0 H GLU A 27 4.428 2.457 -9.405 1.00 74.12 H new ATOM 0 HA GLU A 27 2.905 0.016 -8.706 1.00 21.54 H new ATOM 0 HB2 GLU A 27 3.162 0.995 -11.146 1.00 22.42 H new ATOM 0 HB3 GLU A 27 4.807 0.401 -11.046 1.00 22.42 H new ATOM 0 HG2 GLU A 27 3.764 -1.815 -10.170 1.00 65.10 H new ATOM 0 HG3 GLU A 27 2.230 -1.177 -10.729 1.00 65.10 H new ATOM 385 N LEU A 28 4.831 -1.060 -7.510 1.00 13.42 N ATOM 386 CA LEU A 28 5.912 -1.755 -6.811 1.00 30.34 C ATOM 387 C LEU A 28 6.044 -3.174 -7.349 1.00 10.01 C ATOM 388 O LEU A 28 5.137 -3.992 -7.192 1.00 51.42 O ATOM 389 CB LEU A 28 5.666 -1.793 -5.291 1.00 72.30 C ATOM 390 CG LEU A 28 5.990 -0.449 -4.624 1.00 23.25 C ATOM 391 CD1 LEU A 28 4.863 0.579 -4.812 1.00 5.31 C ATOM 392 CD2 LEU A 28 6.311 -0.551 -3.137 1.00 42.01 C ATOM 0 H LEU A 28 3.903 -1.354 -7.205 1.00 13.42 H new ATOM 0 HA LEU A 28 6.837 -1.207 -6.989 1.00 30.34 H new ATOM 0 HB2 LEU A 28 4.625 -2.052 -5.098 1.00 72.30 H new ATOM 0 HB3 LEU A 28 6.278 -2.577 -4.844 1.00 72.30 H new ATOM 0 HG LEU A 28 6.891 -0.113 -5.138 1.00 23.25 H new ATOM 0 HD11 LEU A 28 5.138 1.514 -4.323 1.00 5.31 H new ATOM 0 HD12 LEU A 28 4.708 0.758 -5.876 1.00 5.31 H new ATOM 0 HD13 LEU A 28 3.943 0.195 -4.371 1.00 5.31 H new ATOM 0 HD21 LEU A 28 6.528 0.442 -2.743 1.00 42.01 H new ATOM 0 HD22 LEU A 28 5.456 -0.972 -2.608 1.00 42.01 H new ATOM 0 HD23 LEU A 28 7.179 -1.195 -2.995 1.00 42.01 H new ATOM 404 N LYS A 29 7.172 -3.496 -7.980 1.00 42.10 N ATOM 405 CA LYS A 29 7.501 -4.891 -8.259 1.00 51.00 C ATOM 406 C LYS A 29 8.140 -5.497 -7.016 1.00 64.43 C ATOM 407 O LYS A 29 8.928 -4.820 -6.358 1.00 61.22 O ATOM 408 CB LYS A 29 8.426 -4.968 -9.483 1.00 10.25 C ATOM 409 CG LYS A 29 8.698 -6.403 -9.954 1.00 4.24 C ATOM 410 CD LYS A 29 7.407 -7.153 -10.316 1.00 2.21 C ATOM 411 CE LYS A 29 7.549 -7.882 -11.648 1.00 72.44 C ATOM 412 NZ LYS A 29 7.579 -6.950 -12.797 1.00 72.14 N ATOM 0 H LYS A 29 7.864 -2.820 -8.303 1.00 42.10 H new ATOM 0 HA LYS A 29 6.604 -5.463 -8.496 1.00 51.00 H new ATOM 0 HB2 LYS A 29 7.980 -4.403 -10.302 1.00 10.25 H new ATOM 0 HB3 LYS A 29 9.374 -4.487 -9.243 1.00 10.25 H new ATOM 0 HG2 LYS A 29 9.357 -6.379 -10.822 1.00 4.24 H new ATOM 0 HG3 LYS A 29 9.224 -6.947 -9.169 1.00 4.24 H new ATOM 0 HD2 LYS A 29 7.167 -7.869 -9.530 1.00 2.21 H new ATOM 0 HD3 LYS A 29 6.577 -6.449 -10.370 1.00 2.21 H new ATOM 0 HE2 LYS A 29 8.464 -8.475 -11.640 1.00 72.44 H new ATOM 0 HE3 LYS A 29 6.719 -8.578 -11.769 1.00 72.44 H new ATOM 0 HZ1 LYS A 29 7.489 -7.488 -13.683 1.00 72.14 H new ATOM 0 HZ2 LYS A 29 6.790 -6.277 -12.719 1.00 72.14 H new ATOM 0 HZ3 LYS A 29 8.479 -6.430 -12.798 1.00 72.14 H new ATOM 426 N VAL A 30 7.818 -6.743 -6.705 1.00 65.20 N ATOM 427 CA VAL A 30 8.376 -7.548 -5.630 1.00 73.34 C ATOM 428 C VAL A 30 8.903 -8.785 -6.330 1.00 52.11 C ATOM 429 O VAL A 30 8.240 -9.344 -7.211 1.00 12.13 O ATOM 430 CB VAL A 30 7.265 -7.869 -4.602 1.00 1.12 C ATOM 431 CG1 VAL A 30 7.765 -8.652 -3.389 1.00 74.31 C ATOM 432 CG2 VAL A 30 6.601 -6.615 -4.037 1.00 62.52 C ATOM 0 H VAL A 30 7.111 -7.253 -7.234 1.00 65.20 H new ATOM 0 HA VAL A 30 9.168 -7.054 -5.067 1.00 73.34 H new ATOM 0 HB VAL A 30 6.559 -8.466 -5.180 1.00 1.12 H new ATOM 0 HG11 VAL A 30 6.933 -8.842 -2.710 1.00 74.31 H new ATOM 0 HG12 VAL A 30 8.189 -9.601 -3.718 1.00 74.31 H new ATOM 0 HG13 VAL A 30 8.530 -8.073 -2.872 1.00 74.31 H new ATOM 0 HG21 VAL A 30 5.830 -6.902 -3.322 1.00 62.52 H new ATOM 0 HG22 VAL A 30 7.350 -6.001 -3.537 1.00 62.52 H new ATOM 0 HG23 VAL A 30 6.148 -6.046 -4.849 1.00 62.52 H new ATOM 442 N GLU A 31 10.104 -9.215 -5.967 1.00 45.12 N ATOM 443 CA GLU A 31 10.615 -10.463 -6.503 1.00 23.55 C ATOM 444 C GLU A 31 10.114 -11.606 -5.624 1.00 25.43 C ATOM 445 O GLU A 31 9.639 -11.378 -4.509 1.00 2.05 O ATOM 446 CB GLU A 31 12.132 -10.454 -6.623 1.00 32.21 C ATOM 447 CG GLU A 31 12.828 -10.368 -5.267 1.00 45.33 C ATOM 448 CD GLU A 31 14.335 -10.525 -5.446 1.00 24.12 C ATOM 449 OE1 GLU A 31 14.753 -11.472 -6.146 1.00 61.52 O ATOM 450 OE2 GLU A 31 15.109 -9.691 -4.917 1.00 24.22 O ATOM 0 H GLU A 31 10.727 -8.731 -5.320 1.00 45.12 H new ATOM 0 HA GLU A 31 10.244 -10.600 -7.519 1.00 23.55 H new ATOM 0 HB2 GLU A 31 12.457 -11.358 -7.137 1.00 32.21 H new ATOM 0 HB3 GLU A 31 12.439 -9.609 -7.239 1.00 32.21 H new ATOM 0 HG2 GLU A 31 12.607 -9.411 -4.795 1.00 45.33 H new ATOM 0 HG3 GLU A 31 12.449 -11.146 -4.604 1.00 45.33 H new ATOM 457 N ALA A 32 10.275 -12.844 -6.085 1.00 22.43 N ATOM 458 CA ALA A 32 9.589 -14.000 -5.532 1.00 25.14 C ATOM 459 C ALA A 32 9.935 -14.339 -4.081 1.00 53.01 C ATOM 460 O ALA A 32 9.263 -15.178 -3.494 1.00 70.14 O ATOM 461 CB ALA A 32 9.874 -15.218 -6.408 1.00 12.13 C ATOM 0 H ALA A 32 10.894 -13.071 -6.863 1.00 22.43 H new ATOM 0 HA ALA A 32 8.532 -13.733 -5.525 1.00 25.14 H new ATOM 0 HB1 ALA A 32 9.362 -16.089 -5.998 1.00 12.13 H new ATOM 0 HB2 ALA A 32 9.516 -15.030 -7.420 1.00 12.13 H new ATOM 0 HB3 ALA A 32 10.947 -15.406 -6.432 1.00 12.13 H new ATOM 467 N GLU A 33 10.941 -13.705 -3.496 1.00 64.32 N ATOM 468 CA GLU A 33 11.388 -13.926 -2.127 1.00 52.21 C ATOM 469 C GLU A 33 10.559 -13.095 -1.153 1.00 22.53 C ATOM 470 O GLU A 33 10.648 -13.283 0.061 1.00 14.14 O ATOM 471 CB GLU A 33 12.860 -13.533 -2.010 1.00 53.44 C ATOM 472 CG GLU A 33 13.734 -14.257 -3.044 1.00 24.12 C ATOM 473 CD GLU A 33 15.046 -14.771 -2.448 1.00 62.53 C ATOM 474 OE1 GLU A 33 15.667 -14.063 -1.624 1.00 25.51 O ATOM 475 OE2 GLU A 33 15.444 -15.915 -2.768 1.00 45.42 O ATOM 0 H GLU A 33 11.490 -12.995 -3.980 1.00 64.32 H new ATOM 0 HA GLU A 33 11.263 -14.980 -1.879 1.00 52.21 H new ATOM 0 HB2 GLU A 33 12.959 -12.456 -2.143 1.00 53.44 H new ATOM 0 HB3 GLU A 33 13.218 -13.765 -1.007 1.00 53.44 H new ATOM 0 HG2 GLU A 33 13.176 -15.095 -3.463 1.00 24.12 H new ATOM 0 HG3 GLU A 33 13.955 -13.578 -3.867 1.00 24.12 H new ATOM 482 N GLY A 34 9.773 -12.161 -1.687 1.00 63.42 N ATOM 483 CA GLY A 34 9.147 -11.104 -0.935 1.00 21.41 C ATOM 484 C GLY A 34 10.215 -10.162 -0.380 1.00 52.00 C ATOM 485 O GLY A 34 11.419 -10.374 -0.571 1.00 13.44 O ATOM 0 H GLY A 34 9.556 -12.129 -2.683 1.00 63.42 H new ATOM 0 HA2 GLY A 34 8.457 -10.551 -1.572 1.00 21.41 H new ATOM 0 HA3 GLY A 34 8.560 -11.524 -0.119 1.00 21.41 H new ATOM 489 N GLY A 35 9.783 -9.070 0.231 1.00 73.31 N ATOM 490 CA GLY A 35 10.649 -8.189 0.996 1.00 71.52 C ATOM 491 C GLY A 35 9.840 -7.155 1.762 1.00 22.12 C ATOM 492 O GLY A 35 8.611 -7.080 1.625 1.00 23.45 O ATOM 0 H GLY A 35 8.809 -8.768 0.209 1.00 73.31 H new ATOM 0 HA2 GLY A 35 11.246 -8.777 1.693 1.00 71.52 H new ATOM 0 HA3 GLY A 35 11.345 -7.686 0.325 1.00 71.52 H new ATOM 496 N SER A 36 10.529 -6.357 2.572 1.00 10.25 N ATOM 497 CA SER A 36 9.939 -5.283 3.359 1.00 62.20 C ATOM 498 C SER A 36 9.821 -4.017 2.497 1.00 13.45 C ATOM 499 O SER A 36 10.651 -3.805 1.609 1.00 53.40 O ATOM 500 CB SER A 36 10.819 -4.987 4.585 1.00 45.00 C ATOM 501 OG SER A 36 11.505 -6.134 5.058 1.00 1.42 O ATOM 0 H SER A 36 11.537 -6.443 2.701 1.00 10.25 H new ATOM 0 HA SER A 36 8.948 -5.590 3.694 1.00 62.20 H new ATOM 0 HB2 SER A 36 11.545 -4.215 4.328 1.00 45.00 H new ATOM 0 HB3 SER A 36 10.197 -4.586 5.385 1.00 45.00 H new ATOM 0 HG SER A 36 12.050 -5.892 5.835 1.00 1.42 H new ATOM 507 N SER A 37 8.879 -3.122 2.806 1.00 72.11 N ATOM 508 CA SER A 37 8.901 -1.732 2.381 1.00 11.41 C ATOM 509 C SER A 37 8.388 -0.865 3.532 1.00 32.51 C ATOM 510 O SER A 37 7.685 -1.358 4.421 1.00 41.12 O ATOM 511 CB SER A 37 8.045 -1.521 1.130 1.00 10.12 C ATOM 512 OG SER A 37 8.567 -2.187 -0.001 1.00 70.44 O ATOM 0 H SER A 37 8.063 -3.356 3.372 1.00 72.11 H new ATOM 0 HA SER A 37 9.922 -1.450 2.126 1.00 11.41 H new ATOM 0 HB2 SER A 37 7.033 -1.877 1.322 1.00 10.12 H new ATOM 0 HB3 SER A 37 7.973 -0.454 0.918 1.00 10.12 H new ATOM 0 HG SER A 37 9.367 -2.692 0.257 1.00 70.44 H new ATOM 518 N LEU A 38 8.722 0.425 3.488 1.00 11.01 N ATOM 519 CA LEU A 38 8.410 1.430 4.492 1.00 41.42 C ATOM 520 C LEU A 38 7.986 2.687 3.759 1.00 44.03 C ATOM 521 O LEU A 38 8.684 3.126 2.843 1.00 24.33 O ATOM 522 CB LEU A 38 9.667 1.728 5.324 1.00 45.40 C ATOM 523 CG LEU A 38 9.526 2.912 6.299 1.00 33.11 C ATOM 524 CD1 LEU A 38 8.526 2.592 7.407 1.00 21.53 C ATOM 525 CD2 LEU A 38 10.876 3.233 6.937 1.00 4.13 C ATOM 0 H LEU A 38 9.247 0.814 2.705 1.00 11.01 H new ATOM 0 HA LEU A 38 7.619 1.081 5.156 1.00 41.42 H new ATOM 0 HB2 LEU A 38 9.930 0.836 5.892 1.00 45.40 H new ATOM 0 HB3 LEU A 38 10.496 1.930 4.646 1.00 45.40 H new ATOM 0 HG LEU A 38 9.168 3.770 5.729 1.00 33.11 H new ATOM 0 HD11 LEU A 38 8.445 3.444 8.082 1.00 21.53 H new ATOM 0 HD12 LEU A 38 7.551 2.383 6.968 1.00 21.53 H new ATOM 0 HD13 LEU A 38 8.867 1.719 7.964 1.00 21.53 H new ATOM 0 HD21 LEU A 38 10.763 4.072 7.624 1.00 4.13 H new ATOM 0 HD22 LEU A 38 11.236 2.362 7.484 1.00 4.13 H new ATOM 0 HD23 LEU A 38 11.593 3.495 6.159 1.00 4.13 H new ATOM 537 N PHE A 39 6.883 3.281 4.194 1.00 70.23 N ATOM 538 CA PHE A 39 6.352 4.513 3.653 1.00 44.21 C ATOM 539 C PHE A 39 6.054 5.402 4.855 1.00 31.24 C ATOM 540 O PHE A 39 5.065 5.188 5.554 1.00 34.34 O ATOM 541 CB PHE A 39 5.136 4.265 2.744 1.00 52.20 C ATOM 542 CG PHE A 39 5.248 3.061 1.828 1.00 10.42 C ATOM 543 CD1 PHE A 39 5.035 1.768 2.342 1.00 50.43 C ATOM 544 CD2 PHE A 39 5.570 3.224 0.470 1.00 45.22 C ATOM 545 CE1 PHE A 39 5.202 0.643 1.524 1.00 13.03 C ATOM 546 CE2 PHE A 39 5.739 2.098 -0.352 1.00 22.54 C ATOM 547 CZ PHE A 39 5.586 0.806 0.184 1.00 25.55 C ATOM 0 H PHE A 39 6.320 2.903 4.956 1.00 70.23 H new ATOM 0 HA PHE A 39 7.065 5.008 2.994 1.00 44.21 H new ATOM 0 HB2 PHE A 39 4.253 4.143 3.371 1.00 52.20 H new ATOM 0 HB3 PHE A 39 4.973 5.152 2.133 1.00 52.20 H new ATOM 0 HD1 PHE A 39 4.741 1.642 3.374 1.00 50.43 H new ATOM 0 HD2 PHE A 39 5.688 4.216 0.058 1.00 45.22 H new ATOM 0 HE1 PHE A 39 5.036 -0.347 1.923 1.00 13.03 H new ATOM 0 HE2 PHE A 39 5.986 2.224 -1.396 1.00 22.54 H new ATOM 0 HZ PHE A 39 5.764 -0.060 -0.436 1.00 25.55 H new ATOM 557 N ALA A 40 6.947 6.343 5.168 1.00 70.10 N ATOM 558 CA ALA A 40 6.700 7.330 6.212 1.00 21.45 C ATOM 559 C ALA A 40 5.957 8.468 5.542 1.00 72.31 C ATOM 560 O ALA A 40 6.544 9.165 4.706 1.00 51.23 O ATOM 561 CB ALA A 40 7.989 7.845 6.867 1.00 62.53 C ATOM 0 H ALA A 40 7.852 6.439 4.708 1.00 70.10 H new ATOM 0 HA ALA A 40 6.126 6.877 7.021 1.00 21.45 H new ATOM 0 HB1 ALA A 40 7.739 8.577 7.636 1.00 62.53 H new ATOM 0 HB2 ALA A 40 8.525 7.011 7.320 1.00 62.53 H new ATOM 0 HB3 ALA A 40 8.619 8.314 6.111 1.00 62.53 H new ATOM 567 N CYS A 41 4.677 8.654 5.857 1.00 42.42 N ATOM 568 CA CYS A 41 3.996 9.851 5.399 1.00 25.33 C ATOM 569 C CYS A 41 4.647 11.044 6.108 1.00 71.44 C ATOM 570 O CYS A 41 5.177 10.879 7.215 1.00 65.40 O ATOM 571 CB CYS A 41 2.496 9.766 5.681 1.00 72.44 C ATOM 572 SG CYS A 41 1.671 10.905 4.538 1.00 31.41 S ATOM 0 H CYS A 41 4.110 8.011 6.410 1.00 42.42 H new ATOM 0 HA CYS A 41 4.094 9.966 4.319 1.00 25.33 H new ATOM 0 HB2 CYS A 41 2.135 8.748 5.537 1.00 72.44 H new ATOM 0 HB3 CYS A 41 2.283 10.037 6.715 1.00 72.44 H new ATOM 0 HG CYS A 41 1.562 10.344 3.370 1.00 31.41 H new ATOM 578 N LYS A 42 4.617 12.234 5.495 1.00 21.51 N ATOM 579 CA LYS A 42 5.057 13.457 6.163 1.00 54.23 C ATOM 580 C LYS A 42 4.008 14.578 6.135 1.00 50.24 C ATOM 581 O LYS A 42 4.258 15.645 6.694 1.00 21.15 O ATOM 582 CB LYS A 42 6.442 13.881 5.661 1.00 22.11 C ATOM 583 CG LYS A 42 7.137 14.868 6.613 1.00 11.42 C ATOM 584 CD LYS A 42 8.649 14.985 6.389 1.00 71.33 C ATOM 585 CE LYS A 42 9.229 15.899 7.471 1.00 5.13 C ATOM 586 NZ LYS A 42 10.704 15.927 7.461 1.00 54.00 N ATOM 0 H LYS A 42 4.292 12.372 4.538 1.00 21.51 H new ATOM 0 HA LYS A 42 5.164 13.233 7.224 1.00 54.23 H new ATOM 0 HB2 LYS A 42 7.067 12.997 5.540 1.00 22.11 H new ATOM 0 HB3 LYS A 42 6.344 14.339 4.677 1.00 22.11 H new ATOM 0 HG2 LYS A 42 6.684 15.852 6.494 1.00 11.42 H new ATOM 0 HG3 LYS A 42 6.955 14.556 7.641 1.00 11.42 H new ATOM 0 HD2 LYS A 42 9.116 14.001 6.433 1.00 71.33 H new ATOM 0 HD3 LYS A 42 8.855 15.391 5.399 1.00 71.33 H new ATOM 0 HE2 LYS A 42 8.849 16.911 7.328 1.00 5.13 H new ATOM 0 HE3 LYS A 42 8.883 15.564 8.449 1.00 5.13 H new ATOM 0 HZ1 LYS A 42 11.044 16.560 8.213 1.00 54.00 H new ATOM 0 HZ2 LYS A 42 11.071 14.968 7.624 1.00 54.00 H new ATOM 0 HZ3 LYS A 42 11.038 16.273 6.539 1.00 54.00 H new ATOM 600 N ASN A 43 2.841 14.385 5.508 1.00 30.41 N ATOM 601 CA ASN A 43 1.747 15.369 5.535 1.00 62.42 C ATOM 602 C ASN A 43 0.439 14.804 6.089 1.00 21.34 C ATOM 603 O ASN A 43 -0.531 15.557 6.201 1.00 42.20 O ATOM 604 CB ASN A 43 1.530 16.016 4.157 1.00 24.23 C ATOM 605 CG ASN A 43 0.754 15.125 3.194 1.00 51.10 C ATOM 606 OD1 ASN A 43 0.947 13.916 3.177 1.00 12.32 O ATOM 607 ND2 ASN A 43 -0.074 15.691 2.332 1.00 54.23 N ATOM 0 H ASN A 43 2.627 13.546 4.969 1.00 30.41 H new ATOM 0 HA ASN A 43 2.066 16.146 6.230 1.00 62.42 H new ATOM 0 HB2 ASN A 43 0.994 16.957 4.284 1.00 24.23 H new ATOM 0 HB3 ASN A 43 2.498 16.257 3.719 1.00 24.23 H new ATOM 0 HD21 ASN A 43 -0.561 15.119 1.642 1.00 54.23 H new ATOM 0 HD22 ASN A 43 -0.226 16.699 2.357 1.00 54.23 H new ATOM 614 N TYR A 44 0.412 13.525 6.469 1.00 10.25 N ATOM 615 CA TYR A 44 -0.674 12.895 7.202 1.00 32.32 C ATOM 616 C TYR A 44 -0.069 12.081 8.346 1.00 31.44 C ATOM 617 O TYR A 44 1.062 11.594 8.246 1.00 42.02 O ATOM 618 CB TYR A 44 -1.524 12.038 6.249 1.00 5.35 C ATOM 619 CG TYR A 44 -2.476 12.864 5.406 1.00 33.52 C ATOM 620 CD1 TYR A 44 -3.677 13.295 5.988 1.00 42.11 C ATOM 621 CD2 TYR A 44 -2.185 13.205 4.069 1.00 22.21 C ATOM 622 CE1 TYR A 44 -4.587 14.058 5.246 1.00 64.21 C ATOM 623 CE2 TYR A 44 -3.076 14.015 3.327 1.00 64.52 C ATOM 624 CZ TYR A 44 -4.289 14.436 3.924 1.00 73.31 C ATOM 625 OH TYR A 44 -5.187 15.213 3.257 1.00 23.55 O ATOM 0 H TYR A 44 1.176 12.881 6.264 1.00 10.25 H new ATOM 0 HA TYR A 44 -1.345 13.641 7.629 1.00 32.32 H new ATOM 0 HB2 TYR A 44 -0.865 11.470 5.593 1.00 5.35 H new ATOM 0 HB3 TYR A 44 -2.095 11.314 6.830 1.00 5.35 H new ATOM 0 HD1 TYR A 44 -3.901 13.037 7.013 1.00 42.11 H new ATOM 0 HD2 TYR A 44 -1.276 12.846 3.609 1.00 22.21 H new ATOM 0 HE1 TYR A 44 -5.524 14.358 5.692 1.00 64.21 H new ATOM 0 HE2 TYR A 44 -2.834 14.309 2.316 1.00 64.52 H new ATOM 0 HH TYR A 44 -4.852 15.399 2.355 1.00 23.55 H new ATOM 635 N LYS A 45 -0.810 11.952 9.446 1.00 62.23 N ATOM 636 CA LYS A 45 -0.481 11.195 10.656 1.00 13.35 C ATOM 637 C LYS A 45 -1.791 10.568 11.141 1.00 25.55 C ATOM 638 O LYS A 45 -2.214 10.743 12.287 1.00 3.14 O ATOM 639 CB LYS A 45 0.178 12.142 11.682 1.00 53.03 C ATOM 640 CG LYS A 45 1.691 11.945 11.686 1.00 23.15 C ATOM 641 CD LYS A 45 2.438 13.153 12.234 1.00 1.13 C ATOM 642 CE LYS A 45 3.919 12.773 12.348 1.00 51.01 C ATOM 643 NZ LYS A 45 4.718 13.851 12.955 1.00 52.30 N ATOM 0 H LYS A 45 -1.721 12.405 9.522 1.00 62.23 H new ATOM 0 HA LYS A 45 0.242 10.398 10.484 1.00 13.35 H new ATOM 0 HB2 LYS A 45 -0.060 13.177 11.438 1.00 53.03 H new ATOM 0 HB3 LYS A 45 -0.224 11.949 12.677 1.00 53.03 H new ATOM 0 HG2 LYS A 45 1.938 11.068 12.284 1.00 23.15 H new ATOM 0 HG3 LYS A 45 2.030 11.743 10.670 1.00 23.15 H new ATOM 0 HD2 LYS A 45 2.313 14.012 11.574 1.00 1.13 H new ATOM 0 HD3 LYS A 45 2.040 13.439 13.208 1.00 1.13 H new ATOM 0 HE2 LYS A 45 4.016 11.868 12.947 1.00 51.01 H new ATOM 0 HE3 LYS A 45 4.312 12.544 11.358 1.00 51.01 H new ATOM 0 HZ1 LYS A 45 5.713 13.554 13.014 1.00 52.30 H new ATOM 0 HZ2 LYS A 45 4.646 14.708 12.370 1.00 52.30 H new ATOM 0 HZ3 LYS A 45 4.360 14.053 13.910 1.00 52.30 H new ATOM 657 N SER A 46 -2.484 9.947 10.196 1.00 30.31 N ATOM 658 CA SER A 46 -3.866 9.522 10.287 1.00 1.25 C ATOM 659 C SER A 46 -4.192 8.846 8.954 1.00 1.45 C ATOM 660 O SER A 46 -4.635 9.532 8.035 1.00 34.32 O ATOM 661 CB SER A 46 -4.774 10.734 10.587 1.00 73.23 C ATOM 662 OG SER A 46 -4.358 11.926 9.926 1.00 2.15 O ATOM 0 H SER A 46 -2.068 9.715 9.294 1.00 30.31 H new ATOM 0 HA SER A 46 -4.034 8.820 11.103 1.00 1.25 H new ATOM 0 HB2 SER A 46 -5.795 10.498 10.287 1.00 73.23 H new ATOM 0 HB3 SER A 46 -4.790 10.910 11.663 1.00 73.23 H new ATOM 0 HG SER A 46 -4.971 12.657 10.152 1.00 2.15 H new ATOM 668 N PHE A 47 -3.905 7.551 8.793 1.00 31.45 N ATOM 669 CA PHE A 47 -4.338 6.790 7.620 1.00 34.43 C ATOM 670 C PHE A 47 -4.619 5.344 8.018 1.00 65.32 C ATOM 671 O PHE A 47 -4.035 4.842 8.978 1.00 24.12 O ATOM 672 CB PHE A 47 -3.336 6.890 6.451 1.00 4.01 C ATOM 673 CG PHE A 47 -1.953 6.284 6.649 1.00 73.53 C ATOM 674 CD1 PHE A 47 -0.933 7.056 7.234 1.00 33.22 C ATOM 675 CD2 PHE A 47 -1.656 4.987 6.175 1.00 71.32 C ATOM 676 CE1 PHE A 47 0.356 6.519 7.388 1.00 32.45 C ATOM 677 CE2 PHE A 47 -0.358 4.451 6.315 1.00 31.34 C ATOM 678 CZ PHE A 47 0.627 5.210 6.959 1.00 45.21 C ATOM 0 H PHE A 47 -3.370 7.005 9.468 1.00 31.45 H new ATOM 0 HA PHE A 47 -5.263 7.231 7.250 1.00 34.43 H new ATOM 0 HB2 PHE A 47 -3.788 6.415 5.580 1.00 4.01 H new ATOM 0 HB3 PHE A 47 -3.208 7.945 6.208 1.00 4.01 H new ATOM 0 HD1 PHE A 47 -1.141 8.063 7.565 1.00 33.22 H new ATOM 0 HD2 PHE A 47 -2.429 4.400 5.701 1.00 71.32 H new ATOM 0 HE1 PHE A 47 1.138 7.113 7.836 1.00 32.45 H new ATOM 0 HE2 PHE A 47 -0.127 3.468 5.931 1.00 31.34 H new ATOM 0 HZ PHE A 47 1.605 4.784 7.127 1.00 45.21 H new ATOM 688 N TRP A 48 -5.508 4.670 7.290 1.00 32.43 N ATOM 689 CA TRP A 48 -5.942 3.314 7.610 1.00 62.53 C ATOM 690 C TRP A 48 -6.176 2.503 6.340 1.00 22.41 C ATOM 691 O TRP A 48 -6.230 3.039 5.230 1.00 12.15 O ATOM 692 CB TRP A 48 -7.197 3.351 8.493 1.00 4.23 C ATOM 693 CG TRP A 48 -8.378 4.048 7.903 1.00 2.14 C ATOM 694 CD1 TRP A 48 -9.390 3.431 7.253 1.00 5.34 C ATOM 695 CD2 TRP A 48 -8.638 5.481 7.798 1.00 34.55 C ATOM 696 NE1 TRP A 48 -10.233 4.379 6.718 1.00 41.34 N ATOM 697 CE2 TRP A 48 -9.813 5.656 7.016 1.00 30.24 C ATOM 698 CE3 TRP A 48 -7.985 6.652 8.243 1.00 54.24 C ATOM 699 CZ2 TRP A 48 -10.297 6.922 6.675 1.00 45.44 C ATOM 700 CZ3 TRP A 48 -8.431 7.932 7.859 1.00 32.25 C ATOM 701 CH2 TRP A 48 -9.578 8.067 7.057 1.00 31.53 C ATOM 0 H TRP A 48 -5.950 5.054 6.455 1.00 32.43 H new ATOM 0 HA TRP A 48 -5.150 2.818 8.171 1.00 62.53 H new ATOM 0 HB2 TRP A 48 -7.483 2.326 8.731 1.00 4.23 H new ATOM 0 HB3 TRP A 48 -6.943 3.838 9.435 1.00 4.23 H new ATOM 0 HD1 TRP A 48 -9.517 2.362 7.167 1.00 5.34 H new ATOM 0 HE1 TRP A 48 -11.065 4.162 6.169 1.00 41.34 H new ATOM 0 HE3 TRP A 48 -7.126 6.564 8.891 1.00 54.24 H new ATOM 0 HZ2 TRP A 48 -11.219 7.020 6.121 1.00 45.44 H new ATOM 0 HZ3 TRP A 48 -7.891 8.810 8.181 1.00 32.25 H new ATOM 0 HH2 TRP A 48 -9.904 9.045 6.736 1.00 31.53 H new ATOM 712 N ILE A 49 -6.303 1.191 6.519 1.00 30.31 N ATOM 713 CA ILE A 49 -6.551 0.200 5.490 1.00 14.25 C ATOM 714 C ILE A 49 -8.060 0.215 5.227 1.00 42.23 C ATOM 715 O ILE A 49 -8.829 -0.032 6.158 1.00 54.41 O ATOM 716 CB ILE A 49 -6.086 -1.194 5.972 1.00 21.52 C ATOM 717 CG1 ILE A 49 -4.624 -1.172 6.497 1.00 1.01 C ATOM 718 CG2 ILE A 49 -6.291 -2.238 4.846 1.00 25.41 C ATOM 719 CD1 ILE A 49 -3.543 -1.063 5.418 1.00 71.11 C ATOM 0 H ILE A 49 -6.230 0.771 7.446 1.00 30.31 H new ATOM 0 HA ILE A 49 -5.999 0.424 4.577 1.00 14.25 H new ATOM 0 HB ILE A 49 -6.702 -1.487 6.822 1.00 21.52 H new ATOM 0 HG12 ILE A 49 -4.515 -0.333 7.184 1.00 1.01 H new ATOM 0 HG13 ILE A 49 -4.449 -2.080 7.073 1.00 1.01 H new ATOM 0 HG21 ILE A 49 -5.961 -3.217 5.193 1.00 25.41 H new ATOM 0 HG22 ILE A 49 -7.347 -2.284 4.580 1.00 25.41 H new ATOM 0 HG23 ILE A 49 -5.709 -1.948 3.971 1.00 25.41 H new ATOM 0 HD11 ILE A 49 -2.559 -1.056 5.888 1.00 71.11 H new ATOM 0 HD12 ILE A 49 -3.616 -1.915 4.742 1.00 71.11 H new ATOM 0 HD13 ILE A 49 -3.683 -0.140 4.855 1.00 71.11 H new ATOM 731 N SER A 50 -8.492 0.445 3.984 1.00 72.31 N ATOM 732 CA SER A 50 -9.891 0.227 3.603 1.00 64.53 C ATOM 733 C SER A 50 -10.015 -0.386 2.197 1.00 13.23 C ATOM 734 O SER A 50 -11.098 -0.856 1.836 1.00 63.21 O ATOM 735 CB SER A 50 -10.689 1.528 3.817 1.00 65.51 C ATOM 736 OG SER A 50 -12.074 1.340 4.028 1.00 2.23 O ATOM 0 H SER A 50 -7.896 0.781 3.227 1.00 72.31 H new ATOM 0 HA SER A 50 -10.340 -0.524 4.253 1.00 64.53 H new ATOM 0 HB2 SER A 50 -10.273 2.057 4.674 1.00 65.51 H new ATOM 0 HB3 SER A 50 -10.551 2.171 2.948 1.00 65.51 H new ATOM 0 HG SER A 50 -12.506 2.210 4.156 1.00 2.23 H new ATOM 742 N SER A 51 -8.934 -0.507 1.409 1.00 42.33 N ATOM 743 CA SER A 51 -8.969 -1.330 0.203 1.00 63.23 C ATOM 744 C SER A 51 -7.674 -2.102 -0.056 1.00 11.45 C ATOM 745 O SER A 51 -6.566 -1.604 0.157 1.00 30.51 O ATOM 746 CB SER A 51 -9.356 -0.470 -1.005 1.00 33.31 C ATOM 747 OG SER A 51 -10.717 -0.081 -0.922 1.00 33.22 O ATOM 0 H SER A 51 -8.040 -0.050 1.587 1.00 42.33 H new ATOM 0 HA SER A 51 -9.730 -2.093 0.365 1.00 63.23 H new ATOM 0 HB2 SER A 51 -8.721 0.415 -1.047 1.00 33.31 H new ATOM 0 HB3 SER A 51 -9.187 -1.028 -1.926 1.00 33.31 H new ATOM 0 HG SER A 51 -11.097 -0.398 -0.076 1.00 33.22 H new ATOM 753 N VAL A 52 -7.853 -3.335 -0.536 1.00 14.31 N ATOM 754 CA VAL A 52 -6.839 -4.329 -0.865 1.00 2.02 C ATOM 755 C VAL A 52 -7.303 -5.124 -2.119 1.00 33.21 C ATOM 756 O VAL A 52 -8.485 -5.096 -2.484 1.00 64.43 O ATOM 757 CB VAL A 52 -6.599 -5.244 0.371 1.00 12.42 C ATOM 758 CG1 VAL A 52 -5.233 -5.940 0.307 1.00 72.52 C ATOM 759 CG2 VAL A 52 -6.704 -4.550 1.745 1.00 63.54 C ATOM 0 H VAL A 52 -8.792 -3.689 -0.718 1.00 14.31 H new ATOM 0 HA VAL A 52 -5.887 -3.856 -1.107 1.00 2.02 H new ATOM 0 HB VAL A 52 -7.418 -5.960 0.304 1.00 12.42 H new ATOM 0 HG11 VAL A 52 -5.104 -6.569 1.188 1.00 72.52 H new ATOM 0 HG12 VAL A 52 -5.180 -6.556 -0.590 1.00 72.52 H new ATOM 0 HG13 VAL A 52 -4.443 -5.189 0.278 1.00 72.52 H new ATOM 0 HG21 VAL A 52 -6.520 -5.278 2.535 1.00 63.54 H new ATOM 0 HG22 VAL A 52 -5.964 -3.752 1.807 1.00 63.54 H new ATOM 0 HG23 VAL A 52 -7.702 -4.129 1.865 1.00 63.54 H new ATOM 769 N LYS A 53 -6.409 -5.870 -2.782 1.00 32.55 N ATOM 770 CA LYS A 53 -6.667 -6.861 -3.850 1.00 11.34 C ATOM 771 C LYS A 53 -5.797 -8.080 -3.562 1.00 65.20 C ATOM 772 O LYS A 53 -4.837 -7.943 -2.815 1.00 73.11 O ATOM 773 CB LYS A 53 -6.377 -6.239 -5.242 1.00 33.53 C ATOM 774 CG LYS A 53 -5.995 -7.183 -6.417 1.00 44.03 C ATOM 775 CD LYS A 53 -6.071 -6.516 -7.796 1.00 54.41 C ATOM 776 CE LYS A 53 -5.290 -5.203 -7.814 1.00 72.52 C ATOM 777 NZ LYS A 53 -5.411 -4.459 -9.079 1.00 21.32 N ATOM 0 H LYS A 53 -5.413 -5.796 -2.575 1.00 32.55 H new ATOM 0 HA LYS A 53 -7.713 -7.166 -3.865 1.00 11.34 H new ATOM 0 HB2 LYS A 53 -7.261 -5.677 -5.544 1.00 33.53 H new ATOM 0 HB3 LYS A 53 -5.568 -5.519 -5.120 1.00 33.53 H new ATOM 0 HG2 LYS A 53 -4.982 -7.554 -6.258 1.00 44.03 H new ATOM 0 HG3 LYS A 53 -6.657 -8.049 -6.405 1.00 44.03 H new ATOM 0 HD2 LYS A 53 -5.671 -7.191 -8.553 1.00 54.41 H new ATOM 0 HD3 LYS A 53 -7.113 -6.327 -8.055 1.00 54.41 H new ATOM 0 HE2 LYS A 53 -5.639 -4.572 -6.997 1.00 72.52 H new ATOM 0 HE3 LYS A 53 -4.237 -5.414 -7.626 1.00 72.52 H new ATOM 0 HZ1 LYS A 53 -4.857 -3.581 -9.020 1.00 21.32 H new ATOM 0 HZ2 LYS A 53 -5.052 -5.043 -9.861 1.00 21.32 H new ATOM 0 HZ3 LYS A 53 -6.410 -4.227 -9.251 1.00 21.32 H new ATOM 791 N GLU A 54 -6.061 -9.232 -4.182 1.00 72.33 N ATOM 792 CA GLU A 54 -5.082 -10.330 -4.231 1.00 71.50 C ATOM 793 C GLU A 54 -5.249 -11.245 -5.455 1.00 13.41 C ATOM 794 O GLU A 54 -4.355 -12.025 -5.766 1.00 70.33 O ATOM 795 CB GLU A 54 -5.140 -11.138 -2.925 1.00 21.15 C ATOM 796 CG GLU A 54 -3.771 -11.653 -2.465 1.00 44.21 C ATOM 797 CD GLU A 54 -3.768 -12.059 -0.988 1.00 74.50 C ATOM 798 OE1 GLU A 54 -4.792 -12.539 -0.454 1.00 12.11 O ATOM 799 OE2 GLU A 54 -2.723 -11.871 -0.332 1.00 32.34 O ATOM 0 H GLU A 54 -6.941 -9.433 -4.657 1.00 72.33 H new ATOM 0 HA GLU A 54 -4.097 -9.875 -4.336 1.00 71.50 H new ATOM 0 HB2 GLU A 54 -5.568 -10.515 -2.140 1.00 21.15 H new ATOM 0 HB3 GLU A 54 -5.812 -11.986 -3.061 1.00 21.15 H new ATOM 0 HG2 GLU A 54 -3.484 -12.509 -3.075 1.00 44.21 H new ATOM 0 HG3 GLU A 54 -3.021 -10.879 -2.628 1.00 44.21 H new ATOM 806 N GLU A 55 -6.375 -11.155 -6.174 1.00 5.03 N ATOM 807 CA GLU A 55 -6.806 -12.156 -7.161 1.00 70.13 C ATOM 808 C GLU A 55 -7.360 -11.479 -8.429 1.00 23.43 C ATOM 809 O GLU A 55 -8.363 -11.882 -9.008 1.00 31.55 O ATOM 810 CB GLU A 55 -7.814 -13.103 -6.463 1.00 50.30 C ATOM 811 CG GLU A 55 -7.227 -14.484 -6.183 1.00 2.44 C ATOM 812 CD GLU A 55 -6.886 -15.234 -7.473 1.00 14.34 C ATOM 813 OE1 GLU A 55 -7.815 -15.749 -8.136 1.00 71.10 O ATOM 814 OE2 GLU A 55 -5.694 -15.276 -7.846 1.00 63.32 O ATOM 0 H GLU A 55 -7.023 -10.372 -6.086 1.00 5.03 H new ATOM 0 HA GLU A 55 -5.964 -12.753 -7.512 1.00 70.13 H new ATOM 0 HB2 GLU A 55 -8.139 -12.654 -5.525 1.00 50.30 H new ATOM 0 HB3 GLU A 55 -8.700 -13.209 -7.089 1.00 50.30 H new ATOM 0 HG2 GLU A 55 -6.328 -14.379 -5.576 1.00 2.44 H new ATOM 0 HG3 GLU A 55 -7.939 -15.069 -5.601 1.00 2.44 H new ATOM 821 N GLY A 56 -6.810 -10.320 -8.779 1.00 44.20 N ATOM 822 CA GLY A 56 -7.354 -9.409 -9.785 1.00 4.43 C ATOM 823 C GLY A 56 -8.622 -8.693 -9.285 1.00 21.13 C ATOM 824 O GLY A 56 -9.060 -7.711 -9.886 1.00 44.40 O ATOM 0 H GLY A 56 -5.947 -9.977 -8.358 1.00 44.20 H new ATOM 0 HA2 GLY A 56 -6.599 -8.668 -10.050 1.00 4.43 H new ATOM 0 HA3 GLY A 56 -7.586 -9.967 -10.692 1.00 4.43 H new ATOM 828 N LYS A 57 -9.198 -9.152 -8.168 1.00 54.31 N ATOM 829 CA LYS A 57 -10.411 -8.656 -7.542 1.00 2.24 C ATOM 830 C LYS A 57 -10.086 -7.988 -6.220 1.00 4.25 C ATOM 831 O LYS A 57 -9.024 -8.251 -5.641 1.00 64.40 O ATOM 832 CB LYS A 57 -11.397 -9.817 -7.359 1.00 1.02 C ATOM 833 CG LYS A 57 -10.909 -10.957 -6.434 1.00 3.05 C ATOM 834 CD LYS A 57 -11.881 -11.151 -5.266 1.00 73.14 C ATOM 835 CE LYS A 57 -11.427 -12.218 -4.271 1.00 70.31 C ATOM 836 NZ LYS A 57 -12.382 -12.364 -3.152 1.00 30.11 N ATOM 0 H LYS A 57 -8.795 -9.932 -7.649 1.00 54.31 H new ATOM 0 HA LYS A 57 -10.875 -7.905 -8.181 1.00 2.24 H new ATOM 0 HB2 LYS A 57 -12.330 -9.420 -6.959 1.00 1.02 H new ATOM 0 HB3 LYS A 57 -11.624 -10.238 -8.339 1.00 1.02 H new ATOM 0 HG2 LYS A 57 -10.824 -11.883 -7.002 1.00 3.05 H new ATOM 0 HG3 LYS A 57 -9.915 -10.724 -6.053 1.00 3.05 H new ATOM 0 HD2 LYS A 57 -12.001 -10.203 -4.742 1.00 73.14 H new ATOM 0 HD3 LYS A 57 -12.860 -11.424 -5.659 1.00 73.14 H new ATOM 0 HE2 LYS A 57 -11.320 -13.173 -4.785 1.00 70.31 H new ATOM 0 HE3 LYS A 57 -10.444 -11.955 -3.879 1.00 70.31 H new ATOM 0 HZ1 LYS A 57 -12.041 -13.097 -2.498 1.00 30.11 H new ATOM 0 HZ2 LYS A 57 -12.465 -11.459 -2.646 1.00 30.11 H new ATOM 0 HZ3 LYS A 57 -13.313 -12.639 -3.524 1.00 30.11 H new ATOM 850 N PHE A 58 -10.998 -7.149 -5.741 1.00 34.12 N ATOM 851 CA PHE A 58 -10.826 -6.439 -4.486 1.00 73.31 C ATOM 852 C PHE A 58 -11.236 -7.348 -3.341 1.00 32.33 C ATOM 853 O PHE A 58 -12.198 -8.112 -3.436 1.00 22.55 O ATOM 854 CB PHE A 58 -11.599 -5.111 -4.503 1.00 45.04 C ATOM 855 CG PHE A 58 -10.758 -3.896 -4.879 1.00 5.41 C ATOM 856 CD1 PHE A 58 -9.651 -4.016 -5.746 1.00 42.03 C ATOM 857 CD2 PHE A 58 -11.060 -2.633 -4.329 1.00 10.14 C ATOM 858 CE1 PHE A 58 -8.829 -2.909 -6.019 1.00 61.40 C ATOM 859 CE2 PHE A 58 -10.233 -1.526 -4.594 1.00 70.23 C ATOM 860 CZ PHE A 58 -9.109 -1.668 -5.426 1.00 70.40 C ATOM 0 H PHE A 58 -11.877 -6.944 -6.215 1.00 34.12 H new ATOM 0 HA PHE A 58 -9.778 -6.176 -4.343 1.00 73.31 H new ATOM 0 HB2 PHE A 58 -12.427 -5.196 -5.207 1.00 45.04 H new ATOM 0 HB3 PHE A 58 -12.034 -4.945 -3.517 1.00 45.04 H new ATOM 0 HD1 PHE A 58 -9.433 -4.969 -6.205 1.00 42.03 H new ATOM 0 HD2 PHE A 58 -11.931 -2.515 -3.701 1.00 10.14 H new ATOM 0 HE1 PHE A 58 -7.984 -3.013 -6.683 1.00 61.40 H new ATOM 0 HE2 PHE A 58 -10.462 -0.565 -4.157 1.00 70.23 H new ATOM 0 HZ PHE A 58 -8.462 -0.823 -5.609 1.00 70.40 H new ATOM 870 N LYS A 59 -10.477 -7.265 -2.256 1.00 22.23 N ATOM 871 CA LYS A 59 -10.708 -7.996 -1.019 1.00 4.34 C ATOM 872 C LYS A 59 -11.713 -7.250 -0.153 1.00 71.42 C ATOM 873 O LYS A 59 -12.234 -6.206 -0.552 1.00 42.14 O ATOM 874 CB LYS A 59 -9.346 -8.199 -0.333 1.00 72.21 C ATOM 875 CG LYS A 59 -8.624 -9.418 -0.930 1.00 3.23 C ATOM 876 CD LYS A 59 -8.730 -10.668 -0.044 1.00 53.42 C ATOM 877 CE LYS A 59 -7.385 -11.041 0.583 1.00 53.02 C ATOM 878 NZ LYS A 59 -7.447 -12.320 1.314 1.00 23.12 N ATOM 0 H LYS A 59 -9.654 -6.664 -2.213 1.00 22.23 H new ATOM 0 HA LYS A 59 -11.145 -8.977 -1.207 1.00 4.34 H new ATOM 0 HB2 LYS A 59 -8.732 -7.307 -0.458 1.00 72.21 H new ATOM 0 HB3 LYS A 59 -9.488 -8.341 0.738 1.00 72.21 H new ATOM 0 HG2 LYS A 59 -9.044 -9.638 -1.912 1.00 3.23 H new ATOM 0 HG3 LYS A 59 -7.572 -9.174 -1.080 1.00 3.23 H new ATOM 0 HD2 LYS A 59 -9.462 -10.493 0.745 1.00 53.42 H new ATOM 0 HD3 LYS A 59 -9.097 -11.504 -0.639 1.00 53.42 H new ATOM 0 HE2 LYS A 59 -6.628 -11.107 -0.198 1.00 53.02 H new ATOM 0 HE3 LYS A 59 -7.072 -10.250 1.264 1.00 53.02 H new ATOM 0 HZ1 LYS A 59 -6.514 -12.532 1.722 1.00 23.12 H new ATOM 0 HZ2 LYS A 59 -8.150 -12.250 2.077 1.00 23.12 H new ATOM 0 HZ3 LYS A 59 -7.720 -13.081 0.660 1.00 23.12 H new ATOM 892 N GLU A 60 -12.025 -7.825 0.999 1.00 21.42 N ATOM 893 CA GLU A 60 -12.823 -7.203 2.043 1.00 30.25 C ATOM 894 C GLU A 60 -11.887 -6.902 3.221 1.00 14.45 C ATOM 895 O GLU A 60 -10.799 -7.479 3.320 1.00 54.23 O ATOM 896 CB GLU A 60 -14.014 -8.119 2.391 1.00 42.21 C ATOM 897 CG GLU A 60 -14.942 -8.273 1.184 1.00 72.42 C ATOM 898 CD GLU A 60 -16.241 -9.053 1.437 1.00 62.53 C ATOM 899 OE1 GLU A 60 -17.041 -8.725 2.343 1.00 70.14 O ATOM 900 OE2 GLU A 60 -16.502 -10.032 0.692 1.00 45.40 O ATOM 0 H GLU A 60 -11.719 -8.768 1.240 1.00 21.42 H new ATOM 0 HA GLU A 60 -13.266 -6.258 1.728 1.00 30.25 H new ATOM 0 HB2 GLU A 60 -13.649 -9.097 2.704 1.00 42.21 H new ATOM 0 HB3 GLU A 60 -14.568 -7.702 3.232 1.00 42.21 H new ATOM 0 HG2 GLU A 60 -15.202 -7.279 0.820 1.00 72.42 H new ATOM 0 HG3 GLU A 60 -14.391 -8.771 0.386 1.00 72.42 H new ATOM 907 N ASN A 61 -12.284 -5.972 4.092 1.00 45.41 N ATOM 908 CA ASN A 61 -11.461 -5.394 5.150 1.00 42.30 C ATOM 909 C ASN A 61 -12.282 -5.335 6.436 1.00 23.42 C ATOM 910 O ASN A 61 -13.490 -5.112 6.384 1.00 74.42 O ATOM 911 CB ASN A 61 -11.014 -3.982 4.738 1.00 73.53 C ATOM 912 CG ASN A 61 -10.436 -3.218 5.915 1.00 41.31 C ATOM 913 OD1 ASN A 61 -11.155 -2.502 6.599 1.00 43.03 O ATOM 914 ND2 ASN A 61 -9.166 -3.403 6.216 1.00 31.53 N ATOM 0 H ASN A 61 -13.228 -5.587 4.076 1.00 45.41 H new ATOM 0 HA ASN A 61 -10.575 -6.007 5.315 1.00 42.30 H new ATOM 0 HB2 ASN A 61 -10.268 -4.052 3.946 1.00 73.53 H new ATOM 0 HB3 ASN A 61 -11.863 -3.435 4.329 1.00 73.53 H new ATOM 0 HD21 ASN A 61 -8.764 -2.945 7.034 1.00 31.53 H new ATOM 0 HD22 ASN A 61 -8.586 -4.004 5.631 1.00 31.53 H new ATOM 921 N THR A 62 -11.624 -5.519 7.580 1.00 25.35 N ATOM 922 CA THR A 62 -12.268 -5.701 8.881 1.00 54.14 C ATOM 923 C THR A 62 -11.515 -5.029 10.041 1.00 62.51 C ATOM 924 O THR A 62 -12.004 -4.997 11.175 1.00 72.41 O ATOM 925 CB THR A 62 -12.494 -7.212 9.066 1.00 22.33 C ATOM 926 OG1 THR A 62 -13.195 -7.547 10.245 1.00 12.31 O ATOM 927 CG2 THR A 62 -11.169 -7.971 9.111 1.00 44.33 C ATOM 0 H THR A 62 -10.606 -5.546 7.629 1.00 25.35 H new ATOM 0 HA THR A 62 -13.228 -5.186 8.899 1.00 54.14 H new ATOM 0 HB THR A 62 -13.094 -7.499 8.203 1.00 22.33 H new ATOM 0 HG1 THR A 62 -12.984 -6.897 10.947 1.00 12.31 H new ATOM 0 HG21 THR A 62 -11.364 -9.035 9.243 1.00 44.33 H new ATOM 0 HG22 THR A 62 -10.628 -7.814 8.178 1.00 44.33 H new ATOM 0 HG23 THR A 62 -10.569 -7.606 9.945 1.00 44.33 H new ATOM 935 N SER A 63 -10.350 -4.457 9.752 1.00 50.02 N ATOM 936 CA SER A 63 -9.460 -3.845 10.725 1.00 62.13 C ATOM 937 C SER A 63 -8.713 -2.702 10.042 1.00 50.11 C ATOM 938 O SER A 63 -8.560 -2.714 8.819 1.00 71.21 O ATOM 939 CB SER A 63 -8.462 -4.878 11.253 1.00 51.44 C ATOM 940 OG SER A 63 -9.053 -6.111 11.617 1.00 24.53 O ATOM 0 H SER A 63 -9.990 -4.407 8.799 1.00 50.02 H new ATOM 0 HA SER A 63 -10.038 -3.466 11.568 1.00 62.13 H new ATOM 0 HB2 SER A 63 -7.705 -5.060 10.490 1.00 51.44 H new ATOM 0 HB3 SER A 63 -7.948 -4.462 12.120 1.00 51.44 H new ATOM 0 HG SER A 63 -8.360 -6.722 11.943 1.00 24.53 H new ATOM 946 N TYR A 64 -8.244 -1.712 10.801 1.00 41.43 N ATOM 947 CA TYR A 64 -7.842 -0.434 10.214 1.00 22.41 C ATOM 948 C TYR A 64 -6.338 -0.219 10.142 1.00 64.31 C ATOM 949 O TYR A 64 -5.902 0.506 9.250 1.00 74.10 O ATOM 950 CB TYR A 64 -8.541 0.716 10.955 1.00 54.30 C ATOM 951 CG TYR A 64 -9.998 0.990 10.599 1.00 34.12 C ATOM 952 CD1 TYR A 64 -10.633 0.413 9.476 1.00 13.22 C ATOM 953 CD2 TYR A 64 -10.714 1.915 11.383 1.00 21.11 C ATOM 954 CE1 TYR A 64 -11.954 0.755 9.152 1.00 61.32 C ATOM 955 CE2 TYR A 64 -12.035 2.271 11.056 1.00 31.23 C ATOM 956 CZ TYR A 64 -12.663 1.691 9.930 1.00 45.31 C ATOM 957 OH TYR A 64 -13.932 2.050 9.584 1.00 23.14 O ATOM 0 H TYR A 64 -8.134 -1.769 11.813 1.00 41.43 H new ATOM 0 HA TYR A 64 -8.164 -0.454 9.173 1.00 22.41 H new ATOM 0 HB2 TYR A 64 -8.487 0.511 12.024 1.00 54.30 H new ATOM 0 HB3 TYR A 64 -7.972 1.628 10.776 1.00 54.30 H new ATOM 0 HD1 TYR A 64 -10.097 -0.296 8.863 1.00 13.22 H new ATOM 0 HD2 TYR A 64 -10.242 2.357 12.248 1.00 21.11 H new ATOM 0 HE1 TYR A 64 -12.432 0.297 8.299 1.00 61.32 H new ATOM 0 HE2 TYR A 64 -12.569 2.986 11.664 1.00 31.23 H new ATOM 0 HH TYR A 64 -14.274 2.704 10.229 1.00 23.14 H new ATOM 967 N LYS A 65 -5.522 -0.818 11.009 1.00 53.11 N ATOM 968 CA LYS A 65 -4.085 -0.511 11.045 1.00 31.21 C ATOM 969 C LYS A 65 -3.242 -1.731 10.738 1.00 2.15 C ATOM 970 O LYS A 65 -2.052 -1.584 10.457 1.00 54.24 O ATOM 971 CB LYS A 65 -3.723 0.170 12.374 1.00 71.14 C ATOM 972 CG LYS A 65 -4.254 1.615 12.366 1.00 61.32 C ATOM 973 CD LYS A 65 -4.452 2.181 13.770 1.00 70.51 C ATOM 974 CE LYS A 65 -5.133 3.542 13.630 1.00 70.14 C ATOM 975 NZ LYS A 65 -5.549 4.110 14.926 1.00 51.42 N ATOM 0 H LYS A 65 -5.824 -1.513 11.692 1.00 53.11 H new ATOM 0 HA LYS A 65 -3.854 0.200 10.252 1.00 31.21 H new ATOM 0 HB2 LYS A 65 -4.154 -0.383 13.209 1.00 71.14 H new ATOM 0 HB3 LYS A 65 -2.642 0.168 12.514 1.00 71.14 H new ATOM 0 HG2 LYS A 65 -3.558 2.250 11.818 1.00 61.32 H new ATOM 0 HG3 LYS A 65 -5.203 1.646 11.830 1.00 61.32 H new ATOM 0 HD2 LYS A 65 -5.063 1.508 14.371 1.00 70.51 H new ATOM 0 HD3 LYS A 65 -3.494 2.283 14.280 1.00 70.51 H new ATOM 0 HE2 LYS A 65 -4.451 4.235 13.137 1.00 70.14 H new ATOM 0 HE3 LYS A 65 -6.006 3.441 12.986 1.00 70.14 H new ATOM 0 HZ1 LYS A 65 -6.004 5.032 14.771 1.00 51.42 H new ATOM 0 HZ2 LYS A 65 -6.221 3.465 15.388 1.00 51.42 H new ATOM 0 HZ3 LYS A 65 -4.715 4.234 15.534 1.00 51.42 H new ATOM 989 N GLU A 66 -3.840 -2.916 10.708 1.00 65.41 N ATOM 990 CA GLU A 66 -3.144 -4.149 10.443 1.00 43.32 C ATOM 991 C GLU A 66 -3.999 -5.044 9.554 1.00 3.33 C ATOM 992 O GLU A 66 -5.227 -4.932 9.536 1.00 25.35 O ATOM 993 CB GLU A 66 -2.846 -4.806 11.804 1.00 11.11 C ATOM 994 CG GLU A 66 -1.517 -5.555 11.799 1.00 24.44 C ATOM 995 CD GLU A 66 -1.230 -6.231 13.142 1.00 13.24 C ATOM 996 OE1 GLU A 66 -2.129 -6.928 13.660 1.00 44.43 O ATOM 997 OE2 GLU A 66 -0.110 -6.126 13.693 1.00 3.03 O ATOM 0 H GLU A 66 -4.839 -3.039 10.871 1.00 65.41 H new ATOM 0 HA GLU A 66 -2.209 -3.975 9.911 1.00 43.32 H new ATOM 0 HB2 GLU A 66 -2.828 -4.040 12.580 1.00 11.11 H new ATOM 0 HB3 GLU A 66 -3.650 -5.497 12.057 1.00 11.11 H new ATOM 0 HG2 GLU A 66 -1.529 -6.307 11.010 1.00 24.44 H new ATOM 0 HG3 GLU A 66 -0.711 -4.860 11.564 1.00 24.44 H new ATOM 1004 N PHE A 67 -3.345 -5.927 8.800 1.00 51.01 N ATOM 1005 CA PHE A 67 -3.997 -6.894 7.928 1.00 65.12 C ATOM 1006 C PHE A 67 -2.982 -7.995 7.643 1.00 3.05 C ATOM 1007 O PHE A 67 -1.862 -7.696 7.223 1.00 34.43 O ATOM 1008 CB PHE A 67 -4.420 -6.194 6.628 1.00 3.35 C ATOM 1009 CG PHE A 67 -5.301 -6.993 5.687 1.00 70.34 C ATOM 1010 CD1 PHE A 67 -4.739 -7.941 4.804 1.00 23.42 C ATOM 1011 CD2 PHE A 67 -6.678 -6.703 5.608 1.00 41.22 C ATOM 1012 CE1 PHE A 67 -5.542 -8.566 3.832 1.00 30.34 C ATOM 1013 CE2 PHE A 67 -7.464 -7.296 4.605 1.00 10.34 C ATOM 1014 CZ PHE A 67 -6.901 -8.229 3.721 1.00 45.20 C ATOM 0 H PHE A 67 -2.327 -5.989 8.780 1.00 51.01 H new ATOM 0 HA PHE A 67 -4.889 -7.317 8.390 1.00 65.12 H new ATOM 0 HB2 PHE A 67 -4.945 -5.275 6.890 1.00 3.35 H new ATOM 0 HB3 PHE A 67 -3.519 -5.903 6.088 1.00 3.35 H new ATOM 0 HD1 PHE A 67 -3.690 -8.187 4.875 1.00 23.42 H new ATOM 0 HD2 PHE A 67 -7.129 -6.025 6.318 1.00 41.22 H new ATOM 0 HE1 PHE A 67 -5.113 -9.305 3.171 1.00 30.34 H new ATOM 0 HE2 PHE A 67 -8.507 -7.032 4.514 1.00 10.34 H new ATOM 0 HZ PHE A 67 -7.511 -8.687 2.957 1.00 45.20 H new ATOM 1024 N ASP A 68 -3.351 -9.252 7.857 1.00 63.51 N ATOM 1025 CA ASP A 68 -2.560 -10.421 7.511 1.00 33.13 C ATOM 1026 C ASP A 68 -3.240 -11.144 6.354 1.00 3.42 C ATOM 1027 O ASP A 68 -4.460 -11.302 6.332 1.00 72.43 O ATOM 1028 CB ASP A 68 -2.382 -11.336 8.726 1.00 34.52 C ATOM 1029 CG ASP A 68 -3.698 -11.784 9.353 1.00 31.51 C ATOM 1030 OD1 ASP A 68 -4.275 -12.804 8.923 1.00 50.30 O ATOM 1031 OD2 ASP A 68 -4.173 -11.067 10.259 1.00 10.43 O ATOM 0 H ASP A 68 -4.242 -9.491 8.292 1.00 63.51 H new ATOM 0 HA ASP A 68 -1.561 -10.115 7.200 1.00 33.13 H new ATOM 0 HB2 ASP A 68 -1.814 -12.217 8.427 1.00 34.52 H new ATOM 0 HB3 ASP A 68 -1.790 -10.815 9.478 1.00 34.52 H new ATOM 1036 N GLY A 69 -2.437 -11.541 5.372 1.00 50.24 N ATOM 1037 CA GLY A 69 -2.878 -12.106 4.103 1.00 31.31 C ATOM 1038 C GLY A 69 -2.322 -13.501 3.823 1.00 54.20 C ATOM 1039 O GLY A 69 -2.353 -13.950 2.678 1.00 10.05 O ATOM 0 H GLY A 69 -1.422 -11.475 5.442 1.00 50.24 H new ATOM 0 HA2 GLY A 69 -3.967 -12.151 4.095 1.00 31.31 H new ATOM 0 HA3 GLY A 69 -2.580 -11.437 3.295 1.00 31.31 H new ATOM 1043 N GLY A 70 -1.752 -14.182 4.818 1.00 54.03 N ATOM 1044 CA GLY A 70 -1.073 -15.454 4.631 1.00 31.44 C ATOM 1045 C GLY A 70 0.354 -15.203 4.166 1.00 24.25 C ATOM 1046 O GLY A 70 1.291 -15.371 4.946 1.00 43.00 O ATOM 0 H GLY A 70 -1.752 -13.858 5.785 1.00 54.03 H new ATOM 0 HA2 GLY A 70 -1.069 -16.017 5.564 1.00 31.44 H new ATOM 0 HA3 GLY A 70 -1.605 -16.058 3.896 1.00 31.44 H new ATOM 1050 N TRP A 71 0.539 -14.735 2.931 1.00 12.13 N ATOM 1051 CA TRP A 71 1.853 -14.451 2.351 1.00 65.23 C ATOM 1052 C TRP A 71 2.248 -12.973 2.469 1.00 64.12 C ATOM 1053 O TRP A 71 3.214 -12.542 1.835 1.00 74.13 O ATOM 1054 CB TRP A 71 1.894 -14.960 0.899 1.00 34.15 C ATOM 1055 CG TRP A 71 0.915 -14.399 -0.101 1.00 11.05 C ATOM 1056 CD1 TRP A 71 -0.374 -14.786 -0.240 1.00 62.14 C ATOM 1057 CD2 TRP A 71 1.139 -13.414 -1.164 1.00 22.42 C ATOM 1058 NE1 TRP A 71 -0.945 -14.132 -1.316 1.00 31.52 N ATOM 1059 CE2 TRP A 71 -0.038 -13.330 -1.967 1.00 43.30 C ATOM 1060 CE3 TRP A 71 2.219 -12.592 -1.553 1.00 73.40 C ATOM 1061 CZ2 TRP A 71 -0.128 -12.517 -3.111 1.00 41.13 C ATOM 1062 CZ3 TRP A 71 2.140 -11.756 -2.684 1.00 72.23 C ATOM 1063 CH2 TRP A 71 0.973 -11.719 -3.472 1.00 41.01 C ATOM 0 H TRP A 71 -0.233 -14.539 2.294 1.00 12.13 H new ATOM 0 HA TRP A 71 2.605 -14.989 2.928 1.00 65.23 H new ATOM 0 HB2 TRP A 71 2.898 -14.777 0.515 1.00 34.15 H new ATOM 0 HB3 TRP A 71 1.754 -16.041 0.925 1.00 34.15 H new ATOM 0 HD1 TRP A 71 -0.881 -15.499 0.394 1.00 62.14 H new ATOM 0 HE1 TRP A 71 -1.921 -14.232 -1.593 1.00 31.52 H new ATOM 0 HE3 TRP A 71 3.128 -12.604 -0.969 1.00 73.40 H new ATOM 0 HZ2 TRP A 71 -1.030 -12.505 -3.704 1.00 41.13 H new ATOM 0 HZ3 TRP A 71 2.984 -11.136 -2.950 1.00 72.23 H new ATOM 0 HH2 TRP A 71 0.924 -11.084 -4.345 1.00 41.01 H new ATOM 1074 N TYR A 72 1.505 -12.175 3.238 1.00 34.45 N ATOM 1075 CA TYR A 72 1.546 -10.732 3.217 1.00 54.23 C ATOM 1076 C TYR A 72 1.179 -10.268 4.625 1.00 72.22 C ATOM 1077 O TYR A 72 0.309 -10.875 5.258 1.00 13.03 O ATOM 1078 CB TYR A 72 0.514 -10.292 2.166 1.00 32.21 C ATOM 1079 CG TYR A 72 0.423 -8.805 1.921 1.00 14.12 C ATOM 1080 CD1 TYR A 72 1.493 -8.142 1.299 1.00 33.44 C ATOM 1081 CD2 TYR A 72 -0.735 -8.093 2.282 1.00 41.01 C ATOM 1082 CE1 TYR A 72 1.466 -6.745 1.157 1.00 14.01 C ATOM 1083 CE2 TYR A 72 -0.821 -6.719 2.007 1.00 62.50 C ATOM 1084 CZ TYR A 72 0.301 -6.032 1.507 1.00 4.41 C ATOM 1085 OH TYR A 72 0.260 -4.681 1.403 1.00 71.51 O ATOM 0 H TYR A 72 0.836 -12.542 3.915 1.00 34.45 H new ATOM 0 HA TYR A 72 2.516 -10.309 2.956 1.00 54.23 H new ATOM 0 HB2 TYR A 72 0.751 -10.783 1.222 1.00 32.21 H new ATOM 0 HB3 TYR A 72 -0.468 -10.652 2.475 1.00 32.21 H new ATOM 0 HD1 TYR A 72 2.337 -8.706 0.930 1.00 33.44 H new ATOM 0 HD2 TYR A 72 -1.554 -8.601 2.769 1.00 41.01 H new ATOM 0 HE1 TYR A 72 2.332 -6.220 0.782 1.00 14.01 H new ATOM 0 HE2 TYR A 72 -1.747 -6.190 2.179 1.00 62.50 H new ATOM 0 HH TYR A 72 0.788 -4.396 0.628 1.00 71.51 H new ATOM 1095 N LEU A 73 1.814 -9.203 5.124 1.00 74.43 N ATOM 1096 CA LEU A 73 1.529 -8.643 6.446 1.00 54.02 C ATOM 1097 C LEU A 73 1.634 -7.117 6.405 1.00 45.00 C ATOM 1098 O LEU A 73 2.661 -6.598 5.954 1.00 11.13 O ATOM 1099 CB LEU A 73 2.521 -9.228 7.477 1.00 24.21 C ATOM 1100 CG LEU A 73 1.888 -9.727 8.791 1.00 73.40 C ATOM 1101 CD1 LEU A 73 0.829 -8.776 9.352 1.00 5.45 C ATOM 1102 CD2 LEU A 73 1.260 -11.105 8.597 1.00 63.50 C ATOM 0 H LEU A 73 2.545 -8.703 4.618 1.00 74.43 H new ATOM 0 HA LEU A 73 0.514 -8.908 6.741 1.00 54.02 H new ATOM 0 HB2 LEU A 73 3.055 -10.057 7.013 1.00 24.21 H new ATOM 0 HB3 LEU A 73 3.262 -8.465 7.717 1.00 24.21 H new ATOM 0 HG LEU A 73 2.704 -9.777 9.512 1.00 73.40 H new ATOM 0 HD11 LEU A 73 0.424 -9.187 10.277 1.00 5.45 H new ATOM 0 HD12 LEU A 73 1.282 -7.805 9.554 1.00 5.45 H new ATOM 0 HD13 LEU A 73 0.025 -8.657 8.625 1.00 5.45 H new ATOM 0 HD21 LEU A 73 0.819 -11.439 9.536 1.00 63.50 H new ATOM 0 HD22 LEU A 73 0.485 -11.047 7.832 1.00 63.50 H new ATOM 0 HD23 LEU A 73 2.027 -11.814 8.284 1.00 63.50 H new ATOM 1114 N VAL A 74 0.616 -6.392 6.859 1.00 42.20 N ATOM 1115 CA VAL A 74 0.535 -4.926 6.799 1.00 73.43 C ATOM 1116 C VAL A 74 0.472 -4.385 8.222 1.00 70.51 C ATOM 1117 O VAL A 74 -0.293 -4.929 9.017 1.00 2.42 O ATOM 1118 CB VAL A 74 -0.702 -4.494 5.978 1.00 34.32 C ATOM 1119 CG1 VAL A 74 -0.644 -3.010 5.633 1.00 34.33 C ATOM 1120 CG2 VAL A 74 -0.788 -5.276 4.672 1.00 2.31 C ATOM 0 H VAL A 74 -0.204 -6.816 7.293 1.00 42.20 H new ATOM 0 HA VAL A 74 1.416 -4.519 6.302 1.00 73.43 H new ATOM 0 HB VAL A 74 -1.577 -4.697 6.596 1.00 34.32 H new ATOM 0 HG11 VAL A 74 -1.527 -2.736 5.056 1.00 34.33 H new ATOM 0 HG12 VAL A 74 -0.615 -2.424 6.551 1.00 34.33 H new ATOM 0 HG13 VAL A 74 0.251 -2.808 5.045 1.00 34.33 H new ATOM 0 HG21 VAL A 74 -1.666 -4.954 4.112 1.00 2.31 H new ATOM 0 HG22 VAL A 74 0.108 -5.093 4.079 1.00 2.31 H new ATOM 0 HG23 VAL A 74 -0.867 -6.341 4.890 1.00 2.31 H new ATOM 1130 N LYS A 75 1.237 -3.332 8.542 1.00 72.53 N ATOM 1131 CA LYS A 75 1.309 -2.715 9.869 1.00 1.02 C ATOM 1132 C LYS A 75 1.502 -1.212 9.716 1.00 44.23 C ATOM 1133 O LYS A 75 2.572 -0.761 9.313 1.00 51.21 O ATOM 1134 CB LYS A 75 2.475 -3.312 10.676 1.00 13.24 C ATOM 1135 CG LYS A 75 1.990 -4.511 11.495 1.00 50.02 C ATOM 1136 CD LYS A 75 3.127 -5.340 12.094 1.00 71.54 C ATOM 1137 CE LYS A 75 3.758 -6.233 11.021 1.00 23.22 C ATOM 1138 NZ LYS A 75 4.810 -7.088 11.596 1.00 64.52 N ATOM 0 H LYS A 75 1.841 -2.873 7.860 1.00 72.53 H new ATOM 0 HA LYS A 75 0.380 -2.913 10.404 1.00 1.02 H new ATOM 0 HB2 LYS A 75 3.273 -3.622 10.001 1.00 13.24 H new ATOM 0 HB3 LYS A 75 2.894 -2.555 11.339 1.00 13.24 H new ATOM 0 HG2 LYS A 75 1.347 -4.155 12.300 1.00 50.02 H new ATOM 0 HG3 LYS A 75 1.379 -5.152 10.859 1.00 50.02 H new ATOM 0 HD2 LYS A 75 3.883 -4.679 12.518 1.00 71.54 H new ATOM 0 HD3 LYS A 75 2.747 -5.954 12.910 1.00 71.54 H new ATOM 0 HE2 LYS A 75 2.989 -6.855 10.563 1.00 23.22 H new ATOM 0 HE3 LYS A 75 4.180 -5.614 10.230 1.00 23.22 H new ATOM 0 HZ1 LYS A 75 5.221 -7.683 10.848 1.00 64.52 H new ATOM 0 HZ2 LYS A 75 5.553 -6.491 12.012 1.00 64.52 H new ATOM 0 HZ3 LYS A 75 4.399 -7.695 12.334 1.00 64.52 H new ATOM 1152 N ILE A 76 0.451 -0.440 9.976 1.00 64.30 N ATOM 1153 CA ILE A 76 0.498 1.019 10.052 1.00 61.14 C ATOM 1154 C ILE A 76 0.862 1.349 11.491 1.00 53.30 C ATOM 1155 O ILE A 76 0.077 1.030 12.388 1.00 30.24 O ATOM 1156 CB ILE A 76 -0.861 1.680 9.688 1.00 42.22 C ATOM 1157 CG1 ILE A 76 -1.308 1.297 8.263 1.00 62.31 C ATOM 1158 CG2 ILE A 76 -0.750 3.213 9.830 1.00 63.24 C ATOM 1159 CD1 ILE A 76 -2.652 1.871 7.822 1.00 43.03 C ATOM 0 H ILE A 76 -0.481 -0.820 10.144 1.00 64.30 H new ATOM 0 HA ILE A 76 1.222 1.405 9.335 1.00 61.14 H new ATOM 0 HB ILE A 76 -1.619 1.311 10.379 1.00 42.22 H new ATOM 0 HG12 ILE A 76 -0.543 1.626 7.560 1.00 62.31 H new ATOM 0 HG13 ILE A 76 -1.356 0.210 8.195 1.00 62.31 H new ATOM 0 HG21 ILE A 76 -1.705 3.672 9.574 1.00 63.24 H new ATOM 0 HG22 ILE A 76 -0.490 3.465 10.858 1.00 63.24 H new ATOM 0 HG23 ILE A 76 0.024 3.586 9.158 1.00 63.24 H new ATOM 0 HD11 ILE A 76 -2.873 1.542 6.807 1.00 43.03 H new ATOM 0 HD12 ILE A 76 -3.435 1.522 8.495 1.00 43.03 H new ATOM 0 HD13 ILE A 76 -2.609 2.960 7.849 1.00 43.03 H new ATOM 1171 N GLU A 77 1.992 2.016 11.724 1.00 12.33 N ATOM 1172 CA GLU A 77 2.299 2.606 13.013 1.00 43.11 C ATOM 1173 C GLU A 77 2.591 4.093 12.897 1.00 22.42 C ATOM 1174 O GLU A 77 3.645 4.507 12.411 1.00 4.43 O ATOM 1175 CB GLU A 77 3.405 1.837 13.725 1.00 42.24 C ATOM 1176 CG GLU A 77 2.894 0.555 14.392 1.00 24.11 C ATOM 1177 CD GLU A 77 2.038 0.826 15.640 1.00 12.22 C ATOM 1178 OE1 GLU A 77 0.889 1.327 15.520 1.00 14.02 O ATOM 1179 OE2 GLU A 77 2.480 0.534 16.771 1.00 54.43 O ATOM 0 H GLU A 77 2.716 2.159 11.020 1.00 12.33 H new ATOM 0 HA GLU A 77 1.411 2.522 13.639 1.00 43.11 H new ATOM 0 HB2 GLU A 77 4.186 1.583 13.008 1.00 42.24 H new ATOM 0 HB3 GLU A 77 3.861 2.478 14.479 1.00 42.24 H new ATOM 0 HG2 GLU A 77 2.306 -0.013 13.671 1.00 24.11 H new ATOM 0 HG3 GLU A 77 3.745 -0.067 14.670 1.00 24.11 H new ATOM 1186 N ASP A 78 1.636 4.879 13.391 1.00 43.40 N ATOM 1187 CA ASP A 78 1.696 6.309 13.686 1.00 21.52 C ATOM 1188 C ASP A 78 1.646 7.157 12.424 1.00 2.02 C ATOM 1189 O ASP A 78 0.661 7.857 12.180 1.00 21.53 O ATOM 1190 CB ASP A 78 2.914 6.620 14.571 1.00 43.30 C ATOM 1191 CG ASP A 78 2.912 7.996 15.232 1.00 63.41 C ATOM 1192 OD1 ASP A 78 2.045 8.850 14.954 1.00 51.21 O ATOM 1193 OD2 ASP A 78 3.815 8.216 16.074 1.00 71.11 O ATOM 0 H ASP A 78 0.718 4.496 13.615 1.00 43.40 H new ATOM 0 HA ASP A 78 0.805 6.581 14.252 1.00 21.52 H new ATOM 0 HB2 ASP A 78 2.977 5.862 15.351 1.00 43.30 H new ATOM 0 HB3 ASP A 78 3.815 6.529 13.964 1.00 43.30 H new ATOM 1198 N ASN A 79 2.692 7.067 11.596 1.00 54.12 N ATOM 1199 CA ASN A 79 2.737 7.612 10.243 1.00 10.34 C ATOM 1200 C ASN A 79 3.631 6.787 9.316 1.00 25.13 C ATOM 1201 O ASN A 79 3.864 7.201 8.178 1.00 34.15 O ATOM 1202 CB ASN A 79 3.155 9.084 10.237 1.00 34.15 C ATOM 1203 CG ASN A 79 4.565 9.372 10.734 1.00 70.33 C ATOM 1204 OD1 ASN A 79 4.882 9.216 11.906 1.00 50.01 O ATOM 1205 ND2 ASN A 79 5.435 9.894 9.890 1.00 22.42 N ATOM 0 H ASN A 79 3.557 6.597 11.862 1.00 54.12 H new ATOM 0 HA ASN A 79 1.721 7.552 9.853 1.00 10.34 H new ATOM 0 HB2 ASN A 79 3.063 9.465 9.220 1.00 34.15 H new ATOM 0 HB3 ASN A 79 2.451 9.645 10.852 1.00 34.15 H new ATOM 0 HD21 ASN A 79 6.363 10.164 10.216 1.00 22.42 H new ATOM 0 HD22 ASN A 79 5.179 10.028 8.912 1.00 22.42 H new ATOM 1212 N GLU A 80 4.127 5.630 9.762 1.00 64.14 N ATOM 1213 CA GLU A 80 4.924 4.711 8.972 1.00 24.42 C ATOM 1214 C GLU A 80 4.069 3.497 8.622 1.00 52.32 C ATOM 1215 O GLU A 80 3.750 2.670 9.476 1.00 65.44 O ATOM 1216 CB GLU A 80 6.187 4.302 9.727 1.00 25.15 C ATOM 1217 CG GLU A 80 7.270 5.388 9.701 1.00 72.31 C ATOM 1218 CD GLU A 80 8.583 4.936 10.352 1.00 64.13 C ATOM 1219 OE1 GLU A 80 8.601 3.924 11.092 1.00 43.44 O ATOM 1220 OE2 GLU A 80 9.621 5.580 10.074 1.00 62.33 O ATOM 0 H GLU A 80 3.975 5.304 10.716 1.00 64.14 H new ATOM 0 HA GLU A 80 5.245 5.200 8.052 1.00 24.42 H new ATOM 0 HB2 GLU A 80 5.930 4.076 10.762 1.00 25.15 H new ATOM 0 HB3 GLU A 80 6.586 3.386 9.290 1.00 25.15 H new ATOM 0 HG2 GLU A 80 7.463 5.677 8.668 1.00 72.31 H new ATOM 0 HG3 GLU A 80 6.901 6.275 10.216 1.00 72.31 H new ATOM 1227 N LEU A 81 3.678 3.419 7.355 1.00 73.14 N ATOM 1228 CA LEU A 81 3.092 2.248 6.718 1.00 5.44 C ATOM 1229 C LEU A 81 4.267 1.275 6.525 1.00 10.22 C ATOM 1230 O LEU A 81 5.218 1.649 5.832 1.00 65.10 O ATOM 1231 CB LEU A 81 2.481 2.713 5.365 1.00 71.21 C ATOM 1232 CG LEU A 81 1.424 1.846 4.667 1.00 33.35 C ATOM 1233 CD1 LEU A 81 1.013 2.460 3.323 1.00 30.41 C ATOM 1234 CD2 LEU A 81 1.957 0.476 4.411 1.00 1.11 C ATOM 0 H LEU A 81 3.766 4.208 6.715 1.00 73.14 H new ATOM 0 HA LEU A 81 2.299 1.766 7.290 1.00 5.44 H new ATOM 0 HB2 LEU A 81 2.039 3.696 5.529 1.00 71.21 H new ATOM 0 HB3 LEU A 81 3.306 2.847 4.665 1.00 71.21 H new ATOM 0 HG LEU A 81 0.558 1.794 5.327 1.00 33.35 H new ATOM 0 HD11 LEU A 81 0.263 1.827 2.848 1.00 30.41 H new ATOM 0 HD12 LEU A 81 0.597 3.454 3.489 1.00 30.41 H new ATOM 0 HD13 LEU A 81 1.886 2.536 2.675 1.00 30.41 H new ATOM 0 HD21 LEU A 81 1.194 -0.125 3.916 1.00 1.11 H new ATOM 0 HD22 LEU A 81 2.838 0.542 3.773 1.00 1.11 H new ATOM 0 HD23 LEU A 81 2.229 0.009 5.357 1.00 1.11 H new ATOM 1246 N LYS A 82 4.276 0.081 7.133 1.00 3.35 N ATOM 1247 CA LYS A 82 5.239 -0.966 6.788 1.00 44.23 C ATOM 1248 C LYS A 82 4.513 -2.180 6.244 1.00 10.23 C ATOM 1249 O LYS A 82 3.391 -2.490 6.650 1.00 12.21 O ATOM 1250 CB LYS A 82 6.103 -1.405 7.976 1.00 53.13 C ATOM 1251 CG LYS A 82 6.626 -0.249 8.834 1.00 43.32 C ATOM 1252 CD LYS A 82 5.916 -0.178 10.191 1.00 42.31 C ATOM 1253 CE LYS A 82 6.231 1.123 10.926 1.00 72.30 C ATOM 1254 NZ LYS A 82 7.673 1.324 11.174 1.00 21.42 N ATOM 0 H LYS A 82 3.622 -0.182 7.870 1.00 3.35 H new ATOM 0 HA LYS A 82 5.901 -0.537 6.036 1.00 44.23 H new ATOM 0 HB2 LYS A 82 5.520 -2.076 8.607 1.00 53.13 H new ATOM 0 HB3 LYS A 82 6.952 -1.977 7.602 1.00 53.13 H new ATOM 0 HG2 LYS A 82 7.698 -0.369 8.991 1.00 43.32 H new ATOM 0 HG3 LYS A 82 6.485 0.691 8.301 1.00 43.32 H new ATOM 0 HD2 LYS A 82 4.839 -0.261 10.043 1.00 42.31 H new ATOM 0 HD3 LYS A 82 6.220 -1.026 10.805 1.00 42.31 H new ATOM 0 HE2 LYS A 82 5.850 1.962 10.343 1.00 72.30 H new ATOM 0 HE3 LYS A 82 5.702 1.130 11.879 1.00 72.30 H new ATOM 0 HZ1 LYS A 82 7.867 1.226 12.191 1.00 21.42 H new ATOM 0 HZ2 LYS A 82 8.218 0.613 10.647 1.00 21.42 H new ATOM 0 HZ3 LYS A 82 7.950 2.276 10.859 1.00 21.42 H new ATOM 1268 N VAL A 83 5.200 -2.919 5.382 1.00 71.40 N ATOM 1269 CA VAL A 83 4.695 -4.141 4.777 1.00 13.05 C ATOM 1270 C VAL A 83 5.858 -5.128 4.775 1.00 65.23 C ATOM 1271 O VAL A 83 7.003 -4.717 4.564 1.00 1.42 O ATOM 1272 CB VAL A 83 4.110 -3.843 3.375 1.00 50.22 C ATOM 1273 CG1 VAL A 83 3.195 -2.609 3.398 1.00 23.23 C ATOM 1274 CG2 VAL A 83 5.202 -3.640 2.317 1.00 52.31 C ATOM 0 H VAL A 83 6.144 -2.679 5.079 1.00 71.40 H new ATOM 0 HA VAL A 83 3.866 -4.578 5.333 1.00 13.05 H new ATOM 0 HB VAL A 83 3.526 -4.722 3.102 1.00 50.22 H new ATOM 0 HG11 VAL A 83 2.802 -2.429 2.397 1.00 23.23 H new ATOM 0 HG12 VAL A 83 2.368 -2.782 4.087 1.00 23.23 H new ATOM 0 HG13 VAL A 83 3.765 -1.740 3.726 1.00 23.23 H new ATOM 0 HG21 VAL A 83 4.740 -3.434 1.352 1.00 52.31 H new ATOM 0 HG22 VAL A 83 5.834 -2.799 2.603 1.00 52.31 H new ATOM 0 HG23 VAL A 83 5.809 -4.542 2.243 1.00 52.31 H new ATOM 1284 N ILE A 84 5.598 -6.400 5.075 1.00 12.11 N ATOM 1285 CA ILE A 84 6.576 -7.479 5.077 1.00 33.22 C ATOM 1286 C ILE A 84 5.909 -8.649 4.364 1.00 70.51 C ATOM 1287 O ILE A 84 4.972 -9.256 4.886 1.00 72.42 O ATOM 1288 CB ILE A 84 7.019 -7.824 6.513 1.00 23.22 C ATOM 1289 CG1 ILE A 84 7.752 -6.628 7.155 1.00 42.22 C ATOM 1290 CG2 ILE A 84 7.957 -9.046 6.519 1.00 14.34 C ATOM 1291 CD1 ILE A 84 7.753 -6.712 8.672 1.00 43.23 C ATOM 0 H ILE A 84 4.663 -6.716 5.333 1.00 12.11 H new ATOM 0 HA ILE A 84 7.494 -7.199 4.561 1.00 33.22 H new ATOM 0 HB ILE A 84 6.123 -8.056 7.088 1.00 23.22 H new ATOM 0 HG12 ILE A 84 8.779 -6.595 6.793 1.00 42.22 H new ATOM 0 HG13 ILE A 84 7.274 -5.699 6.843 1.00 42.22 H new ATOM 0 HG21 ILE A 84 8.256 -9.270 7.543 1.00 14.34 H new ATOM 0 HG22 ILE A 84 7.437 -9.906 6.096 1.00 14.34 H new ATOM 0 HG23 ILE A 84 8.842 -8.828 5.922 1.00 14.34 H new ATOM 0 HD11 ILE A 84 8.279 -5.851 9.084 1.00 43.23 H new ATOM 0 HD12 ILE A 84 6.726 -6.718 9.037 1.00 43.23 H new ATOM 0 HD13 ILE A 84 8.255 -7.628 8.985 1.00 43.23 H new ATOM 1303 N ILE A 85 6.381 -8.927 3.153 1.00 24.15 N ATOM 1304 CA ILE A 85 5.829 -9.931 2.260 1.00 61.14 C ATOM 1305 C ILE A 85 6.705 -11.187 2.393 1.00 50.33 C ATOM 1306 O ILE A 85 7.890 -11.069 2.718 1.00 24.53 O ATOM 1307 CB ILE A 85 5.775 -9.358 0.819 1.00 45.42 C ATOM 1308 CG1 ILE A 85 5.318 -7.873 0.754 1.00 70.44 C ATOM 1309 CG2 ILE A 85 4.839 -10.249 -0.014 1.00 53.21 C ATOM 1310 CD1 ILE A 85 5.471 -7.220 -0.620 1.00 11.12 C ATOM 0 H ILE A 85 7.185 -8.441 2.756 1.00 24.15 H new ATOM 0 HA ILE A 85 4.805 -10.203 2.515 1.00 61.14 H new ATOM 0 HB ILE A 85 6.788 -9.365 0.416 1.00 45.42 H new ATOM 0 HG12 ILE A 85 4.272 -7.815 1.055 1.00 70.44 H new ATOM 0 HG13 ILE A 85 5.891 -7.298 1.481 1.00 70.44 H new ATOM 0 HG21 ILE A 85 4.784 -9.866 -1.033 1.00 53.21 H new ATOM 0 HG22 ILE A 85 5.225 -11.268 -0.029 1.00 53.21 H new ATOM 0 HG23 ILE A 85 3.843 -10.245 0.429 1.00 53.21 H new ATOM 0 HD11 ILE A 85 5.128 -6.186 -0.572 1.00 11.12 H new ATOM 0 HD12 ILE A 85 6.519 -7.241 -0.918 1.00 11.12 H new ATOM 0 HD13 ILE A 85 4.875 -7.766 -1.351 1.00 11.12 H new ATOM 1322 N ASN A 86 6.147 -12.380 2.161 1.00 42.30 N ATOM 1323 CA ASN A 86 6.876 -13.650 2.263 1.00 65.21 C ATOM 1324 C ASN A 86 7.262 -14.193 0.894 1.00 51.11 C ATOM 1325 O ASN A 86 6.797 -13.706 -0.137 1.00 63.12 O ATOM 1326 CB ASN A 86 6.070 -14.706 3.033 1.00 50.32 C ATOM 1327 CG ASN A 86 6.298 -14.560 4.522 1.00 34.43 C ATOM 1328 OD1 ASN A 86 7.310 -15.007 5.061 1.00 22.45 O ATOM 1329 ND2 ASN A 86 5.396 -13.914 5.229 1.00 2.03 N ATOM 0 H ASN A 86 5.169 -12.493 1.895 1.00 42.30 H new ATOM 0 HA ASN A 86 7.789 -13.437 2.819 1.00 65.21 H new ATOM 0 HB2 ASN A 86 5.009 -14.598 2.809 1.00 50.32 H new ATOM 0 HB3 ASN A 86 6.364 -15.705 2.710 1.00 50.32 H new ATOM 0 HD21 ASN A 86 5.533 -13.781 6.231 1.00 2.03 H new ATOM 0 HD22 ASN A 86 4.560 -13.546 4.775 1.00 2.03 H new ATOM 1336 N ARG A 87 8.093 -15.236 0.889 1.00 52.23 N ATOM 1337 CA ARG A 87 8.564 -15.927 -0.299 1.00 70.53 C ATOM 1338 C ARG A 87 7.433 -16.751 -0.918 1.00 13.42 C ATOM 1339 O ARG A 87 6.603 -17.320 -0.211 1.00 44.04 O ATOM 1340 CB ARG A 87 9.811 -16.737 0.102 1.00 11.15 C ATOM 1341 CG ARG A 87 10.303 -17.735 -0.950 1.00 13.14 C ATOM 1342 CD ARG A 87 9.605 -19.099 -0.806 1.00 11.34 C ATOM 1343 NE ARG A 87 10.547 -20.179 -0.486 1.00 34.22 N ATOM 1344 CZ ARG A 87 10.326 -21.474 -0.737 1.00 23.43 C ATOM 1345 NH1 ARG A 87 9.088 -21.966 -0.778 1.00 45.13 N ATOM 1346 NH2 ARG A 87 11.367 -22.255 -0.975 1.00 53.01 N ATOM 0 H ARG A 87 8.468 -15.634 1.750 1.00 52.23 H new ATOM 0 HA ARG A 87 8.861 -15.237 -1.089 1.00 70.53 H new ATOM 0 HB2 ARG A 87 10.620 -16.042 0.327 1.00 11.15 H new ATOM 0 HB3 ARG A 87 9.592 -17.280 1.021 1.00 11.15 H new ATOM 0 HG2 ARG A 87 10.118 -17.335 -1.947 1.00 13.14 H new ATOM 0 HG3 ARG A 87 11.381 -17.865 -0.853 1.00 13.14 H new ATOM 0 HD2 ARG A 87 8.849 -19.036 -0.023 1.00 11.34 H new ATOM 0 HD3 ARG A 87 9.085 -19.337 -1.734 1.00 11.34 H new ATOM 0 HE ARG A 87 11.429 -19.924 -0.042 1.00 34.22 H new ATOM 0 HH11 ARG A 87 8.290 -21.352 -0.616 1.00 45.13 H new ATOM 0 HH12 ARG A 87 8.939 -22.956 -0.971 1.00 45.13 H new ATOM 0 HH21 ARG A 87 12.310 -21.866 -0.964 1.00 53.01 H new ATOM 0 HH22 ARG A 87 11.227 -23.246 -1.169 1.00 53.01 H new ATOM 1360 N ASN A 88 7.401 -16.793 -2.248 1.00 42.11 N ATOM 1361 CA ASN A 88 6.362 -17.427 -3.054 1.00 54.40 C ATOM 1362 C ASN A 88 6.703 -18.897 -3.288 1.00 42.32 C ATOM 1363 O ASN A 88 7.858 -19.217 -3.553 1.00 72.22 O ATOM 1364 CB ASN A 88 6.259 -16.662 -4.392 1.00 73.24 C ATOM 1365 CG ASN A 88 5.149 -17.135 -5.317 1.00 33.54 C ATOM 1366 OD1 ASN A 88 4.291 -17.939 -4.957 1.00 45.02 O ATOM 1367 ND2 ASN A 88 5.118 -16.600 -6.523 1.00 12.41 N ATOM 0 H ASN A 88 8.132 -16.367 -2.818 1.00 42.11 H new ATOM 0 HA ASN A 88 5.403 -17.390 -2.538 1.00 54.40 H new ATOM 0 HB2 ASN A 88 6.107 -15.604 -4.178 1.00 73.24 H new ATOM 0 HB3 ASN A 88 7.210 -16.748 -4.917 1.00 73.24 H new ATOM 0 HD21 ASN A 88 4.374 -16.852 -7.174 1.00 12.41 H new ATOM 0 HD22 ASN A 88 5.838 -15.935 -6.804 1.00 12.41 H new ATOM 1374 N GLU A 89 5.725 -19.800 -3.234 1.00 61.20 N ATOM 1375 CA GLU A 89 5.961 -21.239 -3.360 1.00 41.23 C ATOM 1376 C GLU A 89 5.512 -21.789 -4.724 1.00 62.11 C ATOM 1377 O GLU A 89 5.615 -22.996 -4.936 1.00 22.12 O ATOM 1378 CB GLU A 89 5.375 -21.978 -2.137 1.00 25.42 C ATOM 1379 CG GLU A 89 3.848 -22.118 -2.135 1.00 71.20 C ATOM 1380 CD GLU A 89 3.291 -22.407 -0.736 1.00 33.41 C ATOM 1381 OE1 GLU A 89 3.217 -23.586 -0.323 1.00 41.03 O ATOM 1382 OE2 GLU A 89 2.888 -21.435 -0.050 1.00 73.52 O ATOM 0 H GLU A 89 4.744 -19.554 -3.101 1.00 61.20 H new ATOM 0 HA GLU A 89 7.034 -21.428 -3.348 1.00 41.23 H new ATOM 0 HB2 GLU A 89 5.816 -22.973 -2.087 1.00 25.42 H new ATOM 0 HB3 GLU A 89 5.678 -21.450 -1.233 1.00 25.42 H new ATOM 0 HG2 GLU A 89 3.401 -21.201 -2.519 1.00 71.20 H new ATOM 0 HG3 GLU A 89 3.558 -22.922 -2.812 1.00 71.20 H new ATOM 1389 N THR A 90 5.023 -20.957 -5.653 1.00 61.13 N ATOM 1390 CA THR A 90 4.469 -21.420 -6.928 1.00 23.23 C ATOM 1391 C THR A 90 4.938 -20.593 -8.140 1.00 24.51 C ATOM 1392 O THR A 90 5.509 -19.504 -8.014 1.00 52.10 O ATOM 1393 CB THR A 90 2.934 -21.529 -6.789 1.00 71.42 C ATOM 1394 OG1 THR A 90 2.380 -20.465 -6.044 1.00 73.43 O ATOM 1395 CG2 THR A 90 2.534 -22.789 -6.020 1.00 25.41 C ATOM 0 H THR A 90 5.001 -19.944 -5.540 1.00 61.13 H new ATOM 0 HA THR A 90 4.863 -22.412 -7.148 1.00 23.23 H new ATOM 0 HB THR A 90 2.564 -21.529 -7.814 1.00 71.42 H new ATOM 0 HG1 THR A 90 1.408 -20.578 -5.986 1.00 73.43 H new ATOM 0 HG21 THR A 90 1.448 -22.837 -5.939 1.00 25.41 H new ATOM 0 HG22 THR A 90 2.897 -23.669 -6.550 1.00 25.41 H new ATOM 0 HG23 THR A 90 2.971 -22.760 -5.022 1.00 25.41 H new ATOM 1403 N ASN A 91 4.730 -21.158 -9.338 1.00 54.40 N ATOM 1404 CA ASN A 91 5.161 -20.634 -10.635 1.00 62.30 C ATOM 1405 C ASN A 91 4.054 -19.777 -11.256 1.00 22.54 C ATOM 1406 O ASN A 91 3.639 -19.983 -12.393 1.00 12.25 O ATOM 1407 CB ASN A 91 5.648 -21.745 -11.590 1.00 51.01 C ATOM 1408 CG ASN A 91 4.596 -22.780 -11.951 1.00 24.53 C ATOM 1409 OD1 ASN A 91 4.302 -23.665 -11.017 1.00 22.22 O flip ATOM 1410 ND2 ASN A 91 4.062 -22.821 -13.058 1.00 64.32 N flip ATOM 0 H ASN A 91 4.229 -22.042 -9.429 1.00 54.40 H new ATOM 0 HA ASN A 91 6.027 -19.995 -10.465 1.00 62.30 H new ATOM 0 HB2 ASN A 91 6.012 -21.282 -12.507 1.00 51.01 H new ATOM 0 HB3 ASN A 91 6.496 -22.254 -11.131 1.00 51.01 H new ATOM 0 HD21 ASN A 91 4.303 -22.128 -13.766 1.00 64.32 H new ATOM 0 HD22 ASN A 91 3.378 -23.548 -13.268 1.00 64.32 H new ATOM 1417 N ALA A 92 3.548 -18.810 -10.496 1.00 43.44 N ATOM 1418 CA ALA A 92 2.755 -17.697 -11.018 1.00 21.45 C ATOM 1419 C ALA A 92 3.152 -16.430 -10.260 1.00 3.02 C ATOM 1420 O ALA A 92 3.610 -16.527 -9.116 1.00 62.34 O ATOM 1421 CB ALA A 92 1.257 -17.995 -10.896 1.00 14.23 C ATOM 0 H ALA A 92 3.678 -18.775 -9.485 1.00 43.44 H new ATOM 0 HA ALA A 92 2.955 -17.553 -12.080 1.00 21.45 H new ATOM 0 HB1 ALA A 92 0.686 -17.155 -11.290 1.00 14.23 H new ATOM 0 HB2 ALA A 92 1.018 -18.894 -11.463 1.00 14.23 H new ATOM 0 HB3 ALA A 92 1.001 -18.148 -9.848 1.00 14.23 H new ATOM 1427 N SER A 93 2.964 -15.252 -10.847 1.00 1.31 N ATOM 1428 CA SER A 93 3.305 -13.978 -10.312 1.00 74.11 C ATOM 1429 C SER A 93 1.987 -13.360 -9.932 1.00 73.42 C ATOM 1430 O SER A 93 1.104 -13.174 -10.778 1.00 64.13 O ATOM 1431 CB SER A 93 4.039 -13.113 -11.329 1.00 21.32 C ATOM 1432 OG SER A 93 3.632 -13.324 -12.675 1.00 42.41 O ATOM 0 H SER A 93 2.539 -15.179 -11.771 1.00 1.31 H new ATOM 0 HA SER A 93 3.984 -14.067 -9.464 1.00 74.11 H new ATOM 0 HB2 SER A 93 3.886 -12.064 -11.075 1.00 21.32 H new ATOM 0 HB3 SER A 93 5.109 -13.307 -11.250 1.00 21.32 H new ATOM 0 HG SER A 93 4.144 -12.735 -13.268 1.00 42.41 H new ATOM 1438 N ARG A 94 1.846 -13.143 -8.644 1.00 34.24 N ATOM 1439 CA ARG A 94 0.631 -12.632 -8.048 1.00 64.51 C ATOM 1440 C ARG A 94 0.547 -11.127 -8.260 1.00 33.33 C ATOM 1441 O ARG A 94 1.511 -10.506 -8.698 1.00 52.20 O ATOM 1442 CB ARG A 94 0.711 -12.876 -6.554 1.00 21.34 C ATOM 1443 CG ARG A 94 0.966 -14.281 -6.023 1.00 44.04 C ATOM 1444 CD ARG A 94 0.331 -15.392 -6.855 1.00 42.04 C ATOM 1445 NE ARG A 94 0.335 -16.670 -6.133 1.00 4.04 N ATOM 1446 CZ ARG A 94 -0.351 -17.755 -6.493 1.00 3.04 C ATOM 1447 NH1 ARG A 94 -0.963 -17.802 -7.670 1.00 52.30 N ATOM 1448 NH2 ARG A 94 -0.419 -18.783 -5.666 1.00 14.14 N ATOM 0 H ARG A 94 2.588 -13.320 -7.967 1.00 34.24 H new ATOM 0 HA ARG A 94 -0.233 -13.122 -8.496 1.00 64.51 H new ATOM 0 HB2 ARG A 94 1.500 -12.234 -6.163 1.00 21.34 H new ATOM 0 HB3 ARG A 94 -0.227 -12.530 -6.119 1.00 21.34 H new ATOM 0 HG2 ARG A 94 2.042 -14.449 -5.975 1.00 44.04 H new ATOM 0 HG3 ARG A 94 0.587 -14.345 -5.003 1.00 44.04 H new ATOM 0 HD2 ARG A 94 -0.693 -15.119 -7.109 1.00 42.04 H new ATOM 0 HD3 ARG A 94 0.874 -15.501 -7.794 1.00 42.04 H new ATOM 0 HE ARG A 94 0.907 -16.733 -5.291 1.00 4.04 H new ATOM 0 HH11 ARG A 94 -0.910 -17.005 -8.305 1.00 52.30 H new ATOM 0 HH12 ARG A 94 -1.486 -18.635 -7.940 1.00 52.30 H new ATOM 0 HH21 ARG A 94 0.051 -18.742 -4.762 1.00 14.14 H new ATOM 0 HH22 ARG A 94 -0.941 -19.618 -5.932 1.00 14.14 H new ATOM 1462 N SER A 95 -0.549 -10.521 -7.819 1.00 33.31 N ATOM 1463 CA SER A 95 -0.583 -9.101 -7.511 1.00 31.33 C ATOM 1464 C SER A 95 -1.497 -8.886 -6.317 1.00 65.41 C ATOM 1465 O SER A 95 -2.419 -9.677 -6.081 1.00 4.22 O ATOM 1466 CB SER A 95 -1.007 -8.292 -8.753 1.00 33.52 C ATOM 1467 OG SER A 95 -1.884 -7.226 -8.442 1.00 52.42 O ATOM 0 H SER A 95 -1.436 -11.001 -7.666 1.00 33.31 H new ATOM 0 HA SER A 95 0.409 -8.740 -7.242 1.00 31.33 H new ATOM 0 HB2 SER A 95 -0.118 -7.894 -9.242 1.00 33.52 H new ATOM 0 HB3 SER A 95 -1.492 -8.958 -9.467 1.00 33.52 H new ATOM 0 HG SER A 95 -1.380 -6.502 -8.015 1.00 52.42 H new ATOM 1473 N PHE A 96 -1.296 -7.769 -5.628 1.00 4.21 N ATOM 1474 CA PHE A 96 -2.246 -7.182 -4.709 1.00 65.42 C ATOM 1475 C PHE A 96 -2.213 -5.666 -4.911 1.00 54.30 C ATOM 1476 O PHE A 96 -1.348 -5.130 -5.606 1.00 23.11 O ATOM 1477 CB PHE A 96 -1.935 -7.602 -3.266 1.00 43.20 C ATOM 1478 CG PHE A 96 -0.559 -7.263 -2.759 1.00 24.14 C ATOM 1479 CD1 PHE A 96 -0.320 -5.983 -2.238 1.00 72.53 C ATOM 1480 CD2 PHE A 96 0.465 -8.227 -2.763 1.00 70.22 C ATOM 1481 CE1 PHE A 96 0.967 -5.642 -1.811 1.00 70.43 C ATOM 1482 CE2 PHE A 96 1.757 -7.887 -2.323 1.00 24.54 C ATOM 1483 CZ PHE A 96 2.014 -6.578 -1.882 1.00 53.04 C ATOM 0 H PHE A 96 -0.432 -7.232 -5.702 1.00 4.21 H new ATOM 0 HA PHE A 96 -3.257 -7.539 -4.907 1.00 65.42 H new ATOM 0 HB2 PHE A 96 -2.668 -7.135 -2.608 1.00 43.20 H new ATOM 0 HB3 PHE A 96 -2.074 -8.680 -3.185 1.00 43.20 H new ATOM 0 HD1 PHE A 96 -1.124 -5.266 -2.167 1.00 72.53 H new ATOM 0 HD2 PHE A 96 0.259 -9.231 -3.105 1.00 70.22 H new ATOM 0 HE1 PHE A 96 1.158 -4.652 -1.424 1.00 70.43 H new ATOM 0 HE2 PHE A 96 2.545 -8.626 -2.324 1.00 24.54 H new ATOM 0 HZ PHE A 96 3.015 -6.291 -1.598 1.00 53.04 H new ATOM 1493 N THR A 97 -3.129 -4.958 -4.262 1.00 3.41 N ATOM 1494 CA THR A 97 -3.105 -3.501 -4.182 1.00 4.05 C ATOM 1495 C THR A 97 -3.231 -3.136 -2.713 1.00 33.55 C ATOM 1496 O THR A 97 -3.709 -3.943 -1.910 1.00 10.02 O ATOM 1497 CB THR A 97 -4.211 -2.889 -5.063 1.00 30.34 C ATOM 1498 OG1 THR A 97 -3.913 -3.180 -6.409 1.00 53.00 O ATOM 1499 CG2 THR A 97 -4.374 -1.377 -4.980 1.00 12.25 C ATOM 0 H THR A 97 -3.917 -5.382 -3.772 1.00 3.41 H new ATOM 0 HA THR A 97 -2.173 -3.090 -4.570 1.00 4.05 H new ATOM 0 HB THR A 97 -5.138 -3.327 -4.692 1.00 30.34 H new ATOM 0 HG1 THR A 97 -4.512 -2.670 -6.994 1.00 53.00 H new ATOM 0 HG21 THR A 97 -5.180 -1.061 -5.642 1.00 12.25 H new ATOM 0 HG22 THR A 97 -4.613 -1.093 -3.955 1.00 12.25 H new ATOM 0 HG23 THR A 97 -3.445 -0.894 -5.283 1.00 12.25 H new ATOM 1507 N VAL A 98 -2.798 -1.928 -2.391 1.00 13.13 N ATOM 1508 CA VAL A 98 -2.878 -1.277 -1.105 1.00 71.11 C ATOM 1509 C VAL A 98 -3.476 0.077 -1.456 1.00 72.23 C ATOM 1510 O VAL A 98 -2.914 0.764 -2.305 1.00 62.53 O ATOM 1511 CB VAL A 98 -1.449 -1.151 -0.532 1.00 11.22 C ATOM 1512 CG1 VAL A 98 -1.413 -0.593 0.894 1.00 13.15 C ATOM 1513 CG2 VAL A 98 -0.727 -2.503 -0.546 1.00 70.33 C ATOM 0 H VAL A 98 -2.345 -1.333 -3.084 1.00 13.13 H new ATOM 0 HA VAL A 98 -3.468 -1.800 -0.352 1.00 71.11 H new ATOM 0 HB VAL A 98 -0.939 -0.442 -1.184 1.00 11.22 H new ATOM 0 HG11 VAL A 98 -0.379 -0.531 1.234 1.00 13.15 H new ATOM 0 HG12 VAL A 98 -1.860 0.401 0.907 1.00 13.15 H new ATOM 0 HG13 VAL A 98 -1.974 -1.252 1.557 1.00 13.15 H new ATOM 0 HG21 VAL A 98 0.276 -2.384 -0.137 1.00 70.33 H new ATOM 0 HG22 VAL A 98 -1.283 -3.219 0.060 1.00 70.33 H new ATOM 0 HG23 VAL A 98 -0.660 -2.869 -1.570 1.00 70.33 H new ATOM 1523 N CYS A 99 -4.623 0.455 -0.907 1.00 13.25 N ATOM 1524 CA CYS A 99 -5.012 1.846 -0.868 1.00 70.14 C ATOM 1525 C CYS A 99 -5.444 2.155 0.545 1.00 50.14 C ATOM 1526 O CYS A 99 -6.205 1.405 1.166 1.00 25.52 O ATOM 1527 CB CYS A 99 -6.112 2.165 -1.877 1.00 11.33 C ATOM 1528 SG CYS A 99 -6.279 3.971 -2.035 1.00 21.23 S ATOM 0 H CYS A 99 -5.295 -0.186 -0.485 1.00 13.25 H new ATOM 0 HA CYS A 99 -4.168 2.474 -1.152 1.00 70.14 H new ATOM 0 HB2 CYS A 99 -5.872 1.724 -2.845 1.00 11.33 H new ATOM 0 HB3 CYS A 99 -7.056 1.728 -1.553 1.00 11.33 H new ATOM 0 HG CYS A 99 -6.328 4.507 -0.852 1.00 21.23 H new ATOM 1534 N VAL A 100 -4.954 3.299 0.992 1.00 32.44 N ATOM 1535 CA VAL A 100 -5.308 3.887 2.266 1.00 41.40 C ATOM 1536 C VAL A 100 -6.221 5.089 1.996 1.00 42.32 C ATOM 1537 O VAL A 100 -6.413 5.488 0.841 1.00 65.24 O ATOM 1538 CB VAL A 100 -4.023 4.185 3.075 1.00 32.53 C ATOM 1539 CG1 VAL A 100 -3.276 2.869 3.381 1.00 34.15 C ATOM 1540 CG2 VAL A 100 -3.058 5.159 2.375 1.00 24.42 C ATOM 0 H VAL A 100 -4.283 3.856 0.463 1.00 32.44 H new ATOM 0 HA VAL A 100 -5.878 3.209 2.901 1.00 41.40 H new ATOM 0 HB VAL A 100 -4.353 4.671 3.993 1.00 32.53 H new ATOM 0 HG11 VAL A 100 -2.373 3.087 3.951 1.00 34.15 H new ATOM 0 HG12 VAL A 100 -3.922 2.211 3.963 1.00 34.15 H new ATOM 0 HG13 VAL A 100 -3.006 2.378 2.446 1.00 34.15 H new ATOM 0 HG21 VAL A 100 -2.182 5.318 3.004 1.00 24.42 H new ATOM 0 HG22 VAL A 100 -2.747 4.739 1.419 1.00 24.42 H new ATOM 0 HG23 VAL A 100 -3.561 6.111 2.206 1.00 24.42 H new ATOM 1550 N GLU A 101 -6.853 5.610 3.039 1.00 51.22 N ATOM 1551 CA GLU A 101 -7.496 6.916 3.063 1.00 5.03 C ATOM 1552 C GLU A 101 -6.873 7.621 4.269 1.00 64.23 C ATOM 1553 O GLU A 101 -6.454 6.955 5.224 1.00 3.41 O ATOM 1554 CB GLU A 101 -9.037 6.818 3.172 1.00 14.14 C ATOM 1555 CG GLU A 101 -9.727 8.168 2.873 1.00 62.54 C ATOM 1556 CD GLU A 101 -11.148 8.324 3.438 1.00 10.03 C ATOM 1557 OE1 GLU A 101 -12.144 8.000 2.741 1.00 43.21 O ATOM 1558 OE2 GLU A 101 -11.312 8.888 4.540 1.00 30.24 O ATOM 0 H GLU A 101 -6.935 5.114 3.927 1.00 51.22 H new ATOM 0 HA GLU A 101 -7.335 7.466 2.136 1.00 5.03 H new ATOM 0 HB2 GLU A 101 -9.402 6.063 2.476 1.00 14.14 H new ATOM 0 HB3 GLU A 101 -9.309 6.486 4.174 1.00 14.14 H new ATOM 0 HG2 GLU A 101 -9.106 8.970 3.272 1.00 62.54 H new ATOM 0 HG3 GLU A 101 -9.767 8.304 1.792 1.00 62.54 H new ATOM 1565 N ALA A 102 -6.816 8.950 4.222 1.00 4.35 N ATOM 1566 CA ALA A 102 -6.365 9.810 5.306 1.00 54.41 C ATOM 1567 C ALA A 102 -7.366 10.949 5.551 1.00 61.53 C ATOM 1568 O ALA A 102 -7.008 11.992 6.099 1.00 21.22 O ATOM 1569 CB ALA A 102 -4.953 10.310 4.990 1.00 23.24 C ATOM 0 H ALA A 102 -7.095 9.475 3.393 1.00 4.35 H new ATOM 0 HA ALA A 102 -6.319 9.248 6.239 1.00 54.41 H new ATOM 0 HB1 ALA A 102 -4.606 10.956 5.797 1.00 23.24 H new ATOM 0 HB2 ALA A 102 -4.279 9.459 4.891 1.00 23.24 H new ATOM 0 HB3 ALA A 102 -4.967 10.872 4.056 1.00 23.24 H new ATOM 1575 N GLY A 103 -8.619 10.779 5.128 1.00 4.23 N ATOM 1576 CA GLY A 103 -9.634 11.811 5.065 1.00 10.41 C ATOM 1577 C GLY A 103 -9.744 12.257 3.617 1.00 53.23 C ATOM 1578 O GLY A 103 -10.146 11.471 2.758 1.00 45.01 O ATOM 0 H GLY A 103 -8.962 9.874 4.807 1.00 4.23 H new ATOM 0 HA2 GLY A 103 -10.591 11.430 5.422 1.00 10.41 H new ATOM 0 HA3 GLY A 103 -9.366 12.651 5.706 1.00 10.41 H new ATOM 1582 N ASN A 104 -9.363 13.496 3.309 1.00 65.44 N ATOM 1583 CA ASN A 104 -9.459 14.038 1.953 1.00 24.52 C ATOM 1584 C ASN A 104 -8.185 13.707 1.165 1.00 22.55 C ATOM 1585 O ASN A 104 -7.567 14.603 0.593 1.00 30.32 O ATOM 1586 CB ASN A 104 -9.713 15.555 1.966 1.00 34.25 C ATOM 1587 CG ASN A 104 -10.885 15.984 2.828 1.00 3.31 C ATOM 1588 OD1 ASN A 104 -10.714 16.359 3.989 1.00 51.31 O ATOM 1589 ND2 ASN A 104 -12.086 15.958 2.295 1.00 71.32 N ATOM 0 H ASN A 104 -8.980 14.151 3.990 1.00 65.44 H new ATOM 0 HA ASN A 104 -10.312 13.571 1.461 1.00 24.52 H new ATOM 0 HB2 ASN A 104 -8.813 16.059 2.319 1.00 34.25 H new ATOM 0 HB3 ASN A 104 -9.886 15.891 0.944 1.00 34.25 H new ATOM 0 HD21 ASN A 104 -12.894 16.251 2.844 1.00 71.32 H new ATOM 0 HD22 ASN A 104 -12.210 15.645 1.332 1.00 71.32 H new ATOM 1596 N ALA A 105 -7.757 12.441 1.157 1.00 33.25 N ATOM 1597 CA ALA A 105 -6.693 11.939 0.294 1.00 33.23 C ATOM 1598 C ALA A 105 -6.779 10.412 0.238 1.00 44.00 C ATOM 1599 O ALA A 105 -7.120 9.786 1.247 1.00 34.21 O ATOM 1600 CB ALA A 105 -5.319 12.350 0.833 1.00 14.25 C ATOM 0 H ALA A 105 -8.152 11.724 1.765 1.00 33.25 H new ATOM 0 HA ALA A 105 -6.815 12.363 -0.703 1.00 33.23 H new ATOM 0 HB1 ALA A 105 -4.540 11.965 0.175 1.00 14.25 H new ATOM 0 HB2 ALA A 105 -5.255 13.437 0.875 1.00 14.25 H new ATOM 0 HB3 ALA A 105 -5.183 11.940 1.834 1.00 14.25 H new ATOM 1606 N PHE A 106 -6.383 9.823 -0.893 1.00 13.11 N ATOM 1607 CA PHE A 106 -6.431 8.392 -1.194 1.00 54.04 C ATOM 1608 C PHE A 106 -5.150 8.034 -1.928 1.00 14.12 C ATOM 1609 O PHE A 106 -4.969 8.483 -3.064 1.00 43.23 O ATOM 1610 CB PHE A 106 -7.612 8.056 -2.112 1.00 54.43 C ATOM 1611 CG PHE A 106 -8.971 8.155 -1.471 1.00 42.00 C ATOM 1612 CD1 PHE A 106 -9.604 9.404 -1.363 1.00 51.43 C ATOM 1613 CD2 PHE A 106 -9.617 6.994 -1.015 1.00 33.45 C ATOM 1614 CE1 PHE A 106 -10.890 9.496 -0.813 1.00 22.52 C ATOM 1615 CE2 PHE A 106 -10.911 7.082 -0.479 1.00 45.22 C ATOM 1616 CZ PHE A 106 -11.549 8.333 -0.383 1.00 63.44 C ATOM 0 H PHE A 106 -5.998 10.364 -1.667 1.00 13.11 H new ATOM 0 HA PHE A 106 -6.543 7.836 -0.263 1.00 54.04 H new ATOM 0 HB2 PHE A 106 -7.584 8.725 -2.972 1.00 54.43 H new ATOM 0 HB3 PHE A 106 -7.480 7.043 -2.491 1.00 54.43 H new ATOM 0 HD1 PHE A 106 -9.099 10.295 -1.704 1.00 51.43 H new ATOM 0 HD2 PHE A 106 -9.120 6.037 -1.077 1.00 33.45 H new ATOM 0 HE1 PHE A 106 -11.372 10.458 -0.720 1.00 22.52 H new ATOM 0 HE2 PHE A 106 -11.417 6.190 -0.140 1.00 45.22 H new ATOM 0 HZ PHE A 106 -12.548 8.399 0.022 1.00 63.44 H new ATOM 1626 N ASP A 107 -4.255 7.275 -1.308 1.00 51.12 N ATOM 1627 CA ASP A 107 -2.941 6.976 -1.875 1.00 74.34 C ATOM 1628 C ASP A 107 -2.864 5.471 -2.133 1.00 31.15 C ATOM 1629 O ASP A 107 -2.692 4.676 -1.203 1.00 34.31 O ATOM 1630 CB ASP A 107 -1.826 7.545 -0.979 1.00 70.22 C ATOM 1631 CG ASP A 107 -1.036 8.637 -1.707 1.00 12.12 C ATOM 1632 OD1 ASP A 107 -1.581 9.730 -1.994 1.00 32.31 O ATOM 1633 OD2 ASP A 107 0.148 8.383 -2.020 1.00 23.34 O ATOM 0 H ASP A 107 -4.418 6.848 -0.396 1.00 51.12 H new ATOM 0 HA ASP A 107 -2.792 7.468 -2.836 1.00 74.34 H new ATOM 0 HB2 ASP A 107 -2.261 7.954 -0.067 1.00 70.22 H new ATOM 0 HB3 ASP A 107 -1.152 6.743 -0.679 1.00 70.22 H new ATOM 1638 N GLU A 108 -3.110 5.070 -3.383 1.00 34.11 N ATOM 1639 CA GLU A 108 -3.065 3.680 -3.829 1.00 4.45 C ATOM 1640 C GLU A 108 -1.639 3.348 -4.259 1.00 21.53 C ATOM 1641 O GLU A 108 -0.941 4.195 -4.826 1.00 14.41 O ATOM 1642 CB GLU A 108 -4.080 3.452 -4.974 1.00 31.53 C ATOM 1643 CG GLU A 108 -4.274 1.982 -5.414 1.00 45.43 C ATOM 1644 CD GLU A 108 -3.659 1.579 -6.778 1.00 24.43 C ATOM 1645 OE1 GLU A 108 -2.484 1.899 -7.059 1.00 25.25 O ATOM 1646 OE2 GLU A 108 -4.343 0.899 -7.589 1.00 4.11 O ATOM 0 H GLU A 108 -3.352 5.721 -4.130 1.00 34.11 H new ATOM 0 HA GLU A 108 -3.346 3.013 -3.014 1.00 4.45 H new ATOM 0 HB2 GLU A 108 -5.046 3.850 -4.663 1.00 31.53 H new ATOM 0 HB3 GLU A 108 -3.760 4.032 -5.840 1.00 31.53 H new ATOM 0 HG2 GLU A 108 -3.849 1.337 -4.645 1.00 45.43 H new ATOM 0 HG3 GLU A 108 -5.344 1.775 -5.448 1.00 45.43 H new ATOM 1653 N PHE A 109 -1.233 2.096 -4.059 1.00 53.24 N ATOM 1654 CA PHE A 109 -0.036 1.491 -4.616 1.00 12.12 C ATOM 1655 C PHE A 109 -0.358 0.070 -5.083 1.00 13.45 C ATOM 1656 O PHE A 109 -0.868 -0.749 -4.312 1.00 63.33 O ATOM 1657 CB PHE A 109 1.071 1.495 -3.563 1.00 23.15 C ATOM 1658 CG PHE A 109 1.428 2.879 -3.048 1.00 71.24 C ATOM 1659 CD1 PHE A 109 2.070 3.800 -3.894 1.00 62.44 C ATOM 1660 CD2 PHE A 109 1.062 3.267 -1.746 1.00 41.20 C ATOM 1661 CE1 PHE A 109 2.333 5.105 -3.445 1.00 11.21 C ATOM 1662 CE2 PHE A 109 1.340 4.566 -1.289 1.00 53.00 C ATOM 1663 CZ PHE A 109 1.973 5.486 -2.142 1.00 74.51 C ATOM 0 H PHE A 109 -1.760 1.448 -3.474 1.00 53.24 H new ATOM 0 HA PHE A 109 0.312 2.062 -5.477 1.00 12.12 H new ATOM 0 HB2 PHE A 109 0.761 0.874 -2.722 1.00 23.15 H new ATOM 0 HB3 PHE A 109 1.963 1.035 -3.987 1.00 23.15 H new ATOM 0 HD1 PHE A 109 2.362 3.504 -4.891 1.00 62.44 H new ATOM 0 HD2 PHE A 109 0.565 2.563 -1.095 1.00 41.20 H new ATOM 0 HE1 PHE A 109 2.812 5.816 -4.102 1.00 11.21 H new ATOM 0 HE2 PHE A 109 1.068 4.857 -0.285 1.00 53.00 H new ATOM 0 HZ PHE A 109 2.183 6.487 -1.795 1.00 74.51 H new ATOM 1673 N LYS A 110 -0.046 -0.231 -6.342 1.00 43.33 N ATOM 1674 CA LYS A 110 -0.233 -1.550 -6.939 1.00 21.22 C ATOM 1675 C LYS A 110 1.035 -2.370 -6.749 1.00 2.44 C ATOM 1676 O LYS A 110 2.130 -1.852 -6.988 1.00 22.21 O ATOM 1677 CB LYS A 110 -0.564 -1.381 -8.413 1.00 21.53 C ATOM 1678 CG LYS A 110 -1.278 -2.649 -8.898 1.00 31.11 C ATOM 1679 CD LYS A 110 -1.238 -2.716 -10.410 1.00 12.01 C ATOM 1680 CE LYS A 110 -2.109 -1.650 -11.065 1.00 34.25 C ATOM 1681 NZ LYS A 110 -1.845 -1.541 -12.512 1.00 32.51 N ATOM 0 H LYS A 110 0.352 0.450 -6.988 1.00 43.33 H new ATOM 0 HA LYS A 110 -1.056 -2.077 -6.456 1.00 21.22 H new ATOM 0 HB2 LYS A 110 -1.199 -0.508 -8.561 1.00 21.53 H new ATOM 0 HB3 LYS A 110 0.346 -1.214 -8.989 1.00 21.53 H new ATOM 0 HG2 LYS A 110 -0.799 -3.531 -8.473 1.00 31.11 H new ATOM 0 HG3 LYS A 110 -2.312 -2.650 -8.552 1.00 31.11 H new ATOM 0 HD2 LYS A 110 -0.209 -2.598 -10.749 1.00 12.01 H new ATOM 0 HD3 LYS A 110 -1.570 -3.702 -10.736 1.00 12.01 H new ATOM 0 HE2 LYS A 110 -3.160 -1.890 -10.904 1.00 34.25 H new ATOM 0 HE3 LYS A 110 -1.925 -0.687 -10.588 1.00 34.25 H new ATOM 0 HZ1 LYS A 110 -2.456 -0.806 -12.922 1.00 32.51 H new ATOM 0 HZ2 LYS A 110 -0.848 -1.287 -12.665 1.00 32.51 H new ATOM 0 HZ3 LYS A 110 -2.044 -2.453 -12.971 1.00 32.51 H new ATOM 1695 N PHE A 111 0.924 -3.663 -6.457 1.00 22.24 N ATOM 1696 CA PHE A 111 2.056 -4.569 -6.324 1.00 14.34 C ATOM 1697 C PHE A 111 1.889 -5.797 -7.206 1.00 72.22 C ATOM 1698 O PHE A 111 0.772 -6.221 -7.472 1.00 5.11 O ATOM 1699 CB PHE A 111 2.197 -5.008 -4.865 1.00 30.45 C ATOM 1700 CG PHE A 111 2.690 -3.962 -3.881 1.00 13.03 C ATOM 1701 CD1 PHE A 111 1.843 -2.929 -3.427 1.00 62.40 C ATOM 1702 CD2 PHE A 111 3.968 -4.109 -3.309 1.00 51.23 C ATOM 1703 CE1 PHE A 111 2.287 -2.049 -2.424 1.00 45.34 C ATOM 1704 CE2 PHE A 111 4.412 -3.231 -2.310 1.00 34.25 C ATOM 1705 CZ PHE A 111 3.580 -2.184 -1.895 1.00 21.54 C ATOM 0 H PHE A 111 0.024 -4.118 -6.303 1.00 22.24 H new ATOM 0 HA PHE A 111 2.952 -4.037 -6.642 1.00 14.34 H new ATOM 0 HB2 PHE A 111 1.226 -5.366 -4.522 1.00 30.45 H new ATOM 0 HB3 PHE A 111 2.880 -5.857 -4.830 1.00 30.45 H new ATOM 0 HD1 PHE A 111 0.855 -2.814 -3.849 1.00 62.40 H new ATOM 0 HD2 PHE A 111 4.614 -4.907 -3.644 1.00 51.23 H new ATOM 0 HE1 PHE A 111 1.633 -1.270 -2.061 1.00 45.34 H new ATOM 0 HE2 PHE A 111 5.387 -3.361 -1.865 1.00 34.25 H new ATOM 0 HZ PHE A 111 3.936 -1.475 -1.162 1.00 21.54 H new ATOM 1715 N VAL A 112 3.010 -6.395 -7.605 1.00 33.51 N ATOM 1716 CA VAL A 112 3.080 -7.685 -8.282 1.00 14.32 C ATOM 1717 C VAL A 112 4.233 -8.419 -7.618 1.00 45.43 C ATOM 1718 O VAL A 112 5.297 -7.812 -7.450 1.00 2.25 O ATOM 1719 CB VAL A 112 3.355 -7.509 -9.787 1.00 62.33 C ATOM 1720 CG1 VAL A 112 3.301 -8.799 -10.614 1.00 61.50 C ATOM 1721 CG2 VAL A 112 2.453 -6.462 -10.427 1.00 73.20 C ATOM 0 H VAL A 112 3.929 -5.977 -7.459 1.00 33.51 H new ATOM 0 HA VAL A 112 2.140 -8.230 -8.201 1.00 14.32 H new ATOM 0 HB VAL A 112 4.389 -7.165 -9.810 1.00 62.33 H new ATOM 0 HG11 VAL A 112 3.508 -8.570 -11.659 1.00 61.50 H new ATOM 0 HG12 VAL A 112 4.047 -9.501 -10.242 1.00 61.50 H new ATOM 0 HG13 VAL A 112 2.310 -9.244 -10.529 1.00 61.50 H new ATOM 0 HG21 VAL A 112 2.689 -6.378 -11.488 1.00 73.20 H new ATOM 0 HG22 VAL A 112 1.411 -6.759 -10.309 1.00 73.20 H new ATOM 0 HG23 VAL A 112 2.613 -5.499 -9.942 1.00 73.20 H new ATOM 1731 N GLN A 113 4.052 -9.692 -7.275 1.00 3.04 N ATOM 1732 CA GLN A 113 5.129 -10.540 -6.794 1.00 14.24 C ATOM 1733 C GLN A 113 5.455 -11.537 -7.882 1.00 31.22 C ATOM 1734 O GLN A 113 4.549 -12.157 -8.428 1.00 25.34 O ATOM 1735 CB GLN A 113 4.767 -11.230 -5.474 1.00 71.43 C ATOM 1736 CG GLN A 113 5.982 -12.040 -4.965 1.00 44.22 C ATOM 1737 CD GLN A 113 6.147 -12.024 -3.450 1.00 74.12 C ATOM 1738 OE1 GLN A 113 5.722 -11.091 -2.787 1.00 31.35 O ATOM 1739 NE2 GLN A 113 6.802 -13.014 -2.873 1.00 53.11 N ATOM 0 H GLN A 113 3.148 -10.162 -7.325 1.00 3.04 H new ATOM 0 HA GLN A 113 6.008 -9.933 -6.575 1.00 14.24 H new ATOM 0 HB2 GLN A 113 4.475 -10.487 -4.731 1.00 71.43 H new ATOM 0 HB3 GLN A 113 3.912 -11.890 -5.619 1.00 71.43 H new ATOM 0 HG2 GLN A 113 5.882 -13.073 -5.298 1.00 44.22 H new ATOM 0 HG3 GLN A 113 6.888 -11.643 -5.423 1.00 44.22 H new ATOM 0 HE21 GLN A 113 7.153 -13.789 -3.435 1.00 53.11 H new ATOM 0 HE22 GLN A 113 6.957 -13.004 -1.865 1.00 53.11 H new ATOM 1748 N ASP A 114 6.734 -11.656 -8.208 1.00 2.32 N ATOM 1749 CA ASP A 114 7.254 -12.602 -9.180 1.00 2.23 C ATOM 1750 C ASP A 114 7.007 -14.054 -8.760 1.00 30.11 C ATOM 1751 O ASP A 114 6.735 -14.384 -7.601 1.00 33.34 O ATOM 1752 CB ASP A 114 8.744 -12.290 -9.383 1.00 4.23 C ATOM 1753 CG ASP A 114 9.512 -13.217 -10.316 1.00 43.33 C ATOM 1754 OD1 ASP A 114 8.961 -13.592 -11.374 1.00 30.21 O ATOM 1755 OD2 ASP A 114 10.698 -13.502 -10.048 1.00 33.11 O ATOM 0 H ASP A 114 7.461 -11.077 -7.788 1.00 2.32 H new ATOM 0 HA ASP A 114 6.727 -12.493 -10.128 1.00 2.23 H new ATOM 0 HB2 ASP A 114 8.830 -11.273 -9.766 1.00 4.23 H new ATOM 0 HB3 ASP A 114 9.232 -12.306 -8.408 1.00 4.23 H new ATOM 1760 N ALA A 115 7.073 -14.922 -9.760 1.00 12.31 N ATOM 1761 CA ALA A 115 6.929 -16.361 -9.628 1.00 63.40 C ATOM 1762 C ALA A 115 8.223 -16.950 -9.085 1.00 71.22 C ATOM 1763 O ALA A 115 9.308 -16.559 -9.518 1.00 54.23 O ATOM 1764 CB ALA A 115 6.622 -16.951 -11.009 1.00 31.22 C ATOM 0 H ALA A 115 7.235 -14.629 -10.723 1.00 12.31 H new ATOM 0 HA ALA A 115 6.117 -16.598 -8.940 1.00 63.40 H new ATOM 0 HB1 ALA A 115 6.511 -18.032 -10.926 1.00 31.22 H new ATOM 0 HB2 ALA A 115 5.697 -16.519 -11.392 1.00 31.22 H new ATOM 0 HB3 ALA A 115 7.439 -16.721 -11.693 1.00 31.22 H new ATOM 1770 N ALA A 116 8.121 -17.911 -8.169 1.00 63.30 N ATOM 1771 CA ALA A 116 9.298 -18.597 -7.666 1.00 30.33 C ATOM 1772 C ALA A 116 9.828 -19.541 -8.732 1.00 71.11 C ATOM 1773 O ALA A 116 9.193 -20.548 -9.069 1.00 32.55 O ATOM 1774 CB ALA A 116 8.976 -19.329 -6.380 1.00 62.14 C ATOM 0 H ALA A 116 7.239 -18.227 -7.765 1.00 63.30 H new ATOM 0 HA ALA A 116 10.075 -17.868 -7.437 1.00 30.33 H new ATOM 0 HB1 ALA A 116 9.869 -19.837 -6.017 1.00 62.14 H new ATOM 0 HB2 ALA A 116 8.635 -18.615 -5.630 1.00 62.14 H new ATOM 0 HB3 ALA A 116 8.191 -20.062 -6.565 1.00 62.14 H new ATOM 1780 N LYS A 117 10.989 -19.186 -9.266 1.00 33.43 N ATOM 1781 CA LYS A 117 11.651 -19.883 -10.340 1.00 11.23 C ATOM 1782 C LYS A 117 12.723 -20.738 -9.706 1.00 24.15 C ATOM 1783 O LYS A 117 13.863 -20.299 -9.522 1.00 72.13 O ATOM 1784 CB LYS A 117 12.175 -18.875 -11.361 1.00 72.44 C ATOM 1785 CG LYS A 117 12.443 -19.616 -12.668 1.00 30.25 C ATOM 1786 CD LYS A 117 13.151 -18.686 -13.643 1.00 70.52 C ATOM 1787 CE LYS A 117 13.233 -19.386 -14.995 1.00 14.45 C ATOM 1788 NZ LYS A 117 13.667 -18.445 -16.033 1.00 44.31 N ATOM 0 H LYS A 117 11.509 -18.370 -8.944 1.00 33.43 H new ATOM 0 HA LYS A 117 10.981 -20.535 -10.900 1.00 11.23 H new ATOM 0 HB2 LYS A 117 11.447 -18.079 -11.518 1.00 72.44 H new ATOM 0 HB3 LYS A 117 13.088 -18.404 -10.997 1.00 72.44 H new ATOM 0 HG2 LYS A 117 13.056 -20.497 -12.480 1.00 30.25 H new ATOM 0 HG3 LYS A 117 11.505 -19.966 -13.099 1.00 30.25 H new ATOM 0 HD2 LYS A 117 12.607 -17.746 -13.734 1.00 70.52 H new ATOM 0 HD3 LYS A 117 14.149 -18.443 -13.280 1.00 70.52 H new ATOM 0 HE2 LYS A 117 13.931 -20.221 -14.937 1.00 14.45 H new ATOM 0 HE3 LYS A 117 12.260 -19.802 -15.256 1.00 14.45 H new ATOM 0 HZ1 LYS A 117 13.718 -18.937 -16.948 1.00 44.31 H new ATOM 0 HZ2 LYS A 117 12.986 -17.662 -16.098 1.00 44.31 H new ATOM 0 HZ3 LYS A 117 14.605 -18.068 -15.790 1.00 44.31 H new ATOM 1802 N GLN A 118 12.320 -21.933 -9.301 1.00 71.33 N ATOM 1803 CA GLN A 118 13.184 -22.957 -8.744 1.00 3.41 C ATOM 1804 C GLN A 118 12.968 -24.199 -9.584 1.00 64.44 C ATOM 1805 O GLN A 118 11.797 -24.557 -9.814 1.00 41.23 O ATOM 1806 CB GLN A 118 12.906 -23.164 -7.244 1.00 13.03 C ATOM 1807 CG GLN A 118 13.052 -21.852 -6.444 1.00 45.00 C ATOM 1808 CD GLN A 118 13.143 -22.049 -4.929 1.00 14.15 C ATOM 1809 OE1 GLN A 118 13.531 -23.099 -4.424 1.00 61.31 O ATOM 1810 NE2 GLN A 118 12.825 -21.019 -4.157 1.00 43.12 N ATOM 0 H GLN A 118 11.344 -22.225 -9.354 1.00 71.33 H new ATOM 0 HA GLN A 118 14.235 -22.672 -8.785 1.00 3.41 H new ATOM 0 HB2 GLN A 118 11.898 -23.559 -7.113 1.00 13.03 H new ATOM 0 HB3 GLN A 118 13.595 -23.910 -6.847 1.00 13.03 H new ATOM 0 HG2 GLN A 118 13.945 -21.329 -6.786 1.00 45.00 H new ATOM 0 HG3 GLN A 118 12.201 -21.208 -6.665 1.00 45.00 H new ATOM 0 HE21 GLN A 118 12.503 -20.147 -4.577 1.00 43.12 H new ATOM 0 HE22 GLN A 118 12.903 -21.098 -3.143 1.00 43.12 H new