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 104 ASN :FLIP amide:sc= 1.51 F(o=-3.2!,f=2.4) USER MOD Set 1.2: A 106 THR OG1 : rot -49:sc= 0.906 USER MOD Set 2.1: A 83 MET CE :methyl 178:sc= -1.89 (180deg=-1.25) USER MOD Set 2.2: A 111 SER OG : rot 53:sc= 0.428 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 30 THR OG1 : rot -110:sc= 0.0167 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.78 F(o=-3.5!,f=-1.8) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 49 CYS SG : rot 96:sc= -0.0128 USER MOD Single : A 50 THR OG1 : rot 21:sc= 0.421 USER MOD Single : A 52 MET CE :methyl -158:sc= -2.8! (180deg=-3.35!) USER MOD Single : A 53 ASN : amide:sc= -1.37 X(o=-1.4,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0554 X(o=-0.055,f=-0.056) USER MOD Single : A 59 SER OG : rot -76:sc= -0.067 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0458 K(o=-0.046,f=-0.88) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0595 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.149 X(o=0.15,f=-0.25) USER MOD Single : A 69 ASN : amide:sc= -0.528 K(o=-0.53,f=-3.5!) USER MOD Single : A 71 HIS : no HE2:sc= -3.86! C(o=-3.9!,f=-8.6!) USER MOD Single : A 72 GLN : amide:sc= -2.05 K(o=-2.1,f=-3.8!) USER MOD Single : A 75 ASN : amide:sc= 1.84 K(o=1.8,f=-7.1!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.1) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 MET CE :methyl 172:sc= -1.81 (180deg=-1.87) USER MOD Single : A 89 ASN : amide:sc= -0.124 K(o=-0.12,f=-2!) USER MOD Single : A 97 ASN : amide:sc= -2.17 K(o=-2.2,f=-7.6!) USER MOD Single : A 102 SER OG : rot -15:sc= 0.302 USER MOD Single : A 105 MET CE :methyl 163:sc= -2.32 (180deg=-4.68!) USER MOD Single : A 107 GLN : amide:sc= -0.0452 K(o=-0.045,f=-0.86) USER MOD Single : A 109 GLN : amide:sc= -1.63 K(o=-1.6,f=-2.2) USER MOD Single : A 118 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0718) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.687 -11.862 9.368 1.00 0.00 N ATOM 197 CA ASP A 15 6.854 -12.725 9.217 1.00 0.00 C ATOM 198 C ASP A 15 8.139 -11.904 9.196 1.00 0.00 C ATOM 199 O ASP A 15 8.208 -10.828 8.600 1.00 0.00 O ATOM 200 CB ASP A 15 6.740 -13.550 7.933 1.00 0.00 C ATOM 201 CG ASP A 15 7.650 -14.763 7.943 1.00 0.00 C ATOM 202 OD1 ASP A 15 8.832 -14.622 7.565 1.00 0.00 O ATOM 203 OD2 ASP A 15 7.179 -15.854 8.327 1.00 0.00 O ATOM 0 HA ASP A 15 6.890 -13.399 10.073 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.708 -13.875 7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.986 -12.921 7.077 1.00 0.00 H new ATOM 208 N PRO A 16 9.181 -12.419 9.864 1.00 0.00 N ATOM 209 CA PRO A 16 10.483 -11.749 9.938 1.00 0.00 C ATOM 210 C PRO A 16 11.214 -11.751 8.599 1.00 0.00 C ATOM 211 O PRO A 16 11.990 -10.843 8.305 1.00 0.00 O ATOM 212 CB PRO A 16 11.252 -12.581 10.968 1.00 0.00 C ATOM 213 CG PRO A 16 10.622 -13.930 10.912 1.00 0.00 C ATOM 214 CD PRO A 16 9.170 -13.696 10.597 1.00 0.00 C ATOM 0 HA PRO A 16 10.385 -10.697 10.206 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.313 -12.629 10.725 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.173 -12.148 11.965 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.092 -14.549 10.148 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.736 -14.454 11.861 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.755 -14.503 9.993 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.567 -13.634 11.503 1.00 0.00 H new ATOM 222 N GLN A 17 10.959 -12.777 7.794 1.00 0.00 N ATOM 223 CA GLN A 17 11.593 -12.896 6.486 1.00 0.00 C ATOM 224 C GLN A 17 10.865 -12.049 5.448 1.00 0.00 C ATOM 225 O GLN A 17 11.491 -11.405 4.606 1.00 0.00 O ATOM 226 CB GLN A 17 11.620 -14.359 6.040 1.00 0.00 C ATOM 227 CG GLN A 17 12.870 -15.106 6.478 1.00 0.00 C ATOM 228 CD GLN A 17 12.652 -16.604 6.571 1.00 0.00 C ATOM 229 OE1 GLN A 17 12.073 -17.099 7.538 1.00 0.00 O ATOM 230 NE2 GLN A 17 13.115 -17.333 5.563 1.00 0.00 N ATOM 0 H GLN A 17 10.319 -13.537 8.024 1.00 0.00 H new ATOM 0 HA GLN A 17 12.616 -12.531 6.572 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.743 -14.868 6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.544 -14.400 4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.676 -14.903 5.773 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.193 -14.729 7.448 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.589 -16.880 4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.997 -18.346 5.570 1.00 0.00 H new ATOM 239 N LYS A 18 9.538 -12.053 5.514 1.00 0.00 N ATOM 240 CA LYS A 18 8.723 -11.285 4.581 1.00 0.00 C ATOM 241 C LYS A 18 9.049 -9.798 4.671 1.00 0.00 C ATOM 242 O LYS A 18 9.260 -9.138 3.653 1.00 0.00 O ATOM 243 CB LYS A 18 7.235 -11.509 4.867 1.00 0.00 C ATOM 244 CG LYS A 18 6.785 -12.944 4.656 1.00 0.00 C ATOM 245 CD LYS A 18 6.685 -13.285 3.178 1.00 0.00 C ATOM 246 CE LYS A 18 5.680 -14.400 2.931 1.00 0.00 C ATOM 247 NZ LYS A 18 5.955 -15.122 1.657 1.00 0.00 N ATOM 0 H LYS A 18 9.004 -12.580 6.205 1.00 0.00 H new ATOM 0 HA LYS A 18 8.949 -11.629 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.024 -11.218 5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.647 -10.854 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.488 -13.622 5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.816 -13.096 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.391 -12.398 2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.664 -13.587 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.708 -15.105 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.674 -13.982 2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.249 -15.874 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.903 -14.454 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.905 -15.542 1.694 1.00 0.00 H new ATOM 261 N GLU A 19 9.091 -9.278 5.893 1.00 0.00 N ATOM 262 CA GLU A 19 9.394 -7.869 6.112 1.00 0.00 C ATOM 263 C GLU A 19 10.486 -7.391 5.160 1.00 0.00 C ATOM 264 O GLU A 19 10.462 -6.254 4.692 1.00 0.00 O ATOM 265 CB GLU A 19 9.828 -7.637 7.561 1.00 0.00 C ATOM 266 CG GLU A 19 9.999 -6.170 7.919 1.00 0.00 C ATOM 267 CD GLU A 19 10.376 -5.964 9.373 1.00 0.00 C ATOM 268 OE1 GLU A 19 10.973 -6.886 9.967 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.074 -4.882 9.917 1.00 0.00 O ATOM 0 H GLU A 19 8.919 -9.811 6.746 1.00 0.00 H new ATOM 0 HA GLU A 19 8.489 -7.295 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.089 -8.081 8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.770 -8.157 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.768 -5.732 7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.071 -5.638 7.709 1.00 0.00 H new ATOM 276 N ALA A 20 11.443 -8.270 4.880 1.00 0.00 N ATOM 277 CA ALA A 20 12.544 -7.940 3.983 1.00 0.00 C ATOM 278 C ALA A 20 12.088 -7.948 2.528 1.00 0.00 C ATOM 279 O ALA A 20 12.442 -7.061 1.752 1.00 0.00 O ATOM 280 CB ALA A 20 13.697 -8.912 4.183 1.00 0.00 C ATOM 0 H ALA A 20 11.478 -9.215 5.261 1.00 0.00 H new ATOM 0 HA ALA A 20 12.887 -6.933 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.512 -8.654 3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.048 -8.853 5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.358 -9.926 3.972 1.00 0.00 H new ATOM 286 N GLU A 21 11.303 -8.957 2.165 1.00 0.00 N ATOM 287 CA GLU A 21 10.800 -9.081 0.802 1.00 0.00 C ATOM 288 C GLU A 21 10.013 -7.839 0.396 1.00 0.00 C ATOM 289 O GLU A 21 10.008 -7.447 -0.771 1.00 0.00 O ATOM 290 CB GLU A 21 9.916 -10.324 0.670 1.00 0.00 C ATOM 291 CG GLU A 21 10.639 -11.622 0.986 1.00 0.00 C ATOM 292 CD GLU A 21 10.048 -12.812 0.255 1.00 0.00 C ATOM 293 OE1 GLU A 21 8.847 -13.090 0.453 1.00 0.00 O ATOM 294 OE2 GLU A 21 10.785 -13.464 -0.512 1.00 0.00 O ATOM 0 H GLU A 21 11.002 -9.700 2.795 1.00 0.00 H new ATOM 0 HA GLU A 21 11.657 -9.181 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.060 -10.223 1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.524 -10.374 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.691 -11.522 0.719 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.599 -11.804 2.060 1.00 0.00 H new ATOM 301 N LEU A 22 9.349 -7.223 1.369 1.00 0.00 N ATOM 302 CA LEU A 22 8.557 -6.024 1.115 1.00 0.00 C ATOM 303 C LEU A 22 9.460 -4.817 0.876 1.00 0.00 C ATOM 304 O LEU A 22 9.473 -4.246 -0.216 1.00 0.00 O ATOM 305 CB LEU A 22 7.620 -5.749 2.292 1.00 0.00 C ATOM 306 CG LEU A 22 6.619 -6.857 2.625 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.908 -6.557 3.935 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.613 -7.023 1.496 1.00 0.00 C ATOM 0 H LEU A 22 9.343 -7.534 2.340 1.00 0.00 H new ATOM 0 HA LEU A 22 7.962 -6.194 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.227 -5.557 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.064 -4.835 2.082 1.00 0.00 H new ATOM 0 HG LEU A 22 7.166 -7.793 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.200 -7.356 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.641 -6.489 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.373 -5.611 3.850 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.909 -7.815 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.071 -6.088 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.137 -7.284 0.577 1.00 0.00 H new ATOM 320 N ARG A 23 10.212 -4.434 1.902 1.00 0.00 N ATOM 321 CA ARG A 23 11.117 -3.296 1.803 1.00 0.00 C ATOM 322 C ARG A 23 12.056 -3.450 0.609 1.00 0.00 C ATOM 323 O ARG A 23 12.416 -2.469 -0.041 1.00 0.00 O ATOM 324 CB ARG A 23 11.931 -3.151 3.090 1.00 0.00 C ATOM 325 CG ARG A 23 12.835 -4.339 3.376 1.00 0.00 C ATOM 326 CD ARG A 23 14.100 -3.914 4.103 1.00 0.00 C ATOM 327 NE ARG A 23 14.867 -5.060 4.585 1.00 0.00 N ATOM 328 CZ ARG A 23 16.173 -5.023 4.824 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.854 -3.904 4.627 1.00 0.00 N ATOM 330 NH2 ARG A 23 16.800 -6.108 5.260 1.00 0.00 N ATOM 0 H ARG A 23 10.212 -4.895 2.812 1.00 0.00 H new ATOM 0 HA ARG A 23 10.517 -2.398 1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.540 -2.249 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.248 -3.015 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.296 -5.071 3.978 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.100 -4.830 2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.720 -3.319 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.836 -3.274 4.945 1.00 0.00 H new ATOM 0 HE ARG A 23 14.372 -5.937 4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.375 -3.068 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.857 -3.878 4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.279 -6.972 5.412 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.803 -6.078 5.443 1.00 0.00 H new ATOM 344 N THR A 24 12.449 -4.689 0.329 1.00 0.00 N ATOM 345 CA THR A 24 13.347 -4.971 -0.785 1.00 0.00 C ATOM 346 C THR A 24 12.621 -4.855 -2.119 1.00 0.00 C ATOM 347 O THR A 24 13.245 -4.663 -3.162 1.00 0.00 O ATOM 348 CB THR A 24 13.961 -6.378 -0.667 1.00 0.00 C ATOM 349 OG1 THR A 24 14.719 -6.483 0.543 1.00 0.00 O ATOM 350 CG2 THR A 24 14.855 -6.679 -1.860 1.00 0.00 C ATOM 0 H THR A 24 12.160 -5.512 0.857 1.00 0.00 H new ATOM 0 HA THR A 24 14.145 -4.230 -0.744 1.00 0.00 H new ATOM 0 HB THR A 24 13.149 -7.105 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.140 -6.804 1.265 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.278 -7.678 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.268 -6.628 -2.777 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.661 -5.947 -1.904 1.00 0.00 H new ATOM 358 N TRP A 25 11.298 -4.973 -2.080 1.00 0.00 N ATOM 359 CA TRP A 25 10.486 -4.881 -3.289 1.00 0.00 C ATOM 360 C TRP A 25 10.000 -3.453 -3.510 1.00 0.00 C ATOM 361 O TRP A 25 9.749 -3.041 -4.643 1.00 0.00 O ATOM 362 CB TRP A 25 9.292 -5.832 -3.200 1.00 0.00 C ATOM 363 CG TRP A 25 8.196 -5.503 -4.168 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.229 -5.656 -5.525 1.00 0.00 C ATOM 365 CD2 TRP A 25 6.908 -4.963 -3.853 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.038 -5.243 -6.072 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.211 -4.815 -5.068 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.276 -4.592 -2.663 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.914 -4.311 -5.124 1.00 0.00 C ATOM 370 CZ3 TRP A 25 4.988 -4.092 -2.721 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.318 -3.956 -3.944 1.00 0.00 C ATOM 0 H TRP A 25 10.765 -5.132 -1.225 1.00 0.00 H new ATOM 0 HA TRP A 25 11.107 -5.169 -4.137 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.634 -6.851 -3.382 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.891 -5.807 -2.187 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.067 -6.044 -6.085 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.807 -5.254 -7.065 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.784 -4.694 -1.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.396 -4.204 -6.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.490 -3.801 -1.808 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.312 -3.564 -3.956 1.00 0.00 H new ATOM 382 N ILE A 26 9.867 -2.703 -2.422 1.00 0.00 N ATOM 383 CA ILE A 26 9.411 -1.320 -2.498 1.00 0.00 C ATOM 384 C ILE A 26 10.580 -0.368 -2.725 1.00 0.00 C ATOM 385 O ILE A 26 10.503 0.537 -3.556 1.00 0.00 O ATOM 386 CB ILE A 26 8.665 -0.901 -1.217 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.508 -1.864 -0.937 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.152 0.526 -1.346 1.00 0.00 C ATOM 389 CD1 ILE A 26 6.823 -1.616 0.387 1.00 0.00 C ATOM 0 H ILE A 26 10.068 -3.029 -1.477 1.00 0.00 H new ATOM 0 HA ILE A 26 8.726 -1.260 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 26 9.360 -0.943 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.774 -1.780 -1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.884 -2.887 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.627 0.808 -0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.992 1.202 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.469 0.592 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.014 -2.335 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.544 -1.729 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.416 -0.605 0.402 1.00 0.00 H new ATOM 401 N GLU A 27 11.662 -0.579 -1.982 1.00 0.00 N ATOM 402 CA GLU A 27 12.847 0.262 -2.105 1.00 0.00 C ATOM 403 C GLU A 27 13.355 0.282 -3.544 1.00 0.00 C ATOM 404 O GLU A 27 13.803 1.313 -4.042 1.00 0.00 O ATOM 405 CB GLU A 27 13.952 -0.238 -1.171 1.00 0.00 C ATOM 406 CG GLU A 27 13.819 0.271 0.255 1.00 0.00 C ATOM 407 CD GLU A 27 14.878 -0.297 1.179 1.00 0.00 C ATOM 408 OE1 GLU A 27 15.980 0.286 1.248 1.00 0.00 O ATOM 409 OE2 GLU A 27 14.605 -1.326 1.833 1.00 0.00 O ATOM 0 H GLU A 27 11.742 -1.324 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 27 12.571 1.278 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.943 -1.328 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.919 0.069 -1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.887 1.359 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.832 0.013 0.638 1.00 0.00 H new ATOM 416 N GLY A 28 13.281 -0.869 -4.208 1.00 0.00 N ATOM 417 CA GLY A 28 13.736 -0.963 -5.582 1.00 0.00 C ATOM 418 C GLY A 28 12.765 -0.328 -6.559 1.00 0.00 C ATOM 419 O GLY A 28 13.169 0.182 -7.604 1.00 0.00 O ATOM 0 H GLY A 28 12.914 -1.737 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.708 -0.478 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.877 -2.012 -5.844 1.00 0.00 H new ATOM 423 N LEU A 29 11.481 -0.361 -6.219 1.00 0.00 N ATOM 424 CA LEU A 29 10.449 0.214 -7.075 1.00 0.00 C ATOM 425 C LEU A 29 10.578 1.733 -7.138 1.00 0.00 C ATOM 426 O LEU A 29 10.885 2.299 -8.188 1.00 0.00 O ATOM 427 CB LEU A 29 9.060 -0.170 -6.563 1.00 0.00 C ATOM 428 CG LEU A 29 8.473 -1.466 -7.123 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.521 -2.099 -6.119 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.762 -1.202 -8.441 1.00 0.00 C ATOM 0 H LEU A 29 11.130 -0.779 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 29 10.582 -0.186 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.106 -0.255 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.373 0.645 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 29 9.290 -2.163 -7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.113 -3.020 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.060 -2.324 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.707 -1.407 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.350 -2.135 -8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.955 -0.487 -8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.471 -0.794 -9.162 1.00 0.00 H new ATOM 442 N THR A 30 10.344 2.389 -6.006 1.00 0.00 N ATOM 443 CA THR A 30 10.434 3.842 -5.931 1.00 0.00 C ATOM 444 C THR A 30 11.887 4.301 -5.907 1.00 0.00 C ATOM 445 O THR A 30 12.208 5.403 -6.354 1.00 0.00 O ATOM 446 CB THR A 30 9.715 4.386 -4.683 1.00 0.00 C ATOM 447 OG1 THR A 30 10.453 4.046 -3.505 1.00 0.00 O ATOM 448 CG2 THR A 30 8.304 3.825 -4.584 1.00 0.00 C ATOM 0 H THR A 30 10.090 1.937 -5.128 1.00 0.00 H new ATOM 0 HA THR A 30 9.945 4.236 -6.822 1.00 0.00 H new ATOM 0 HB THR A 30 9.652 5.471 -4.771 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.958 3.374 -2.991 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.816 4.223 -3.695 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.736 4.111 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.349 2.738 -4.517 1.00 0.00 H new ATOM 456 N GLY A 31 12.764 3.450 -5.383 1.00 0.00 N ATOM 457 CA GLY A 31 14.173 3.788 -5.311 1.00 0.00 C ATOM 458 C GLY A 31 14.506 4.636 -4.100 1.00 0.00 C ATOM 459 O GLY A 31 15.548 5.292 -4.058 1.00 0.00 O ATOM 0 H GLY A 31 12.524 2.533 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.762 2.871 -5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.461 4.323 -6.216 1.00 0.00 H new ATOM 463 N LEU A 32 13.618 4.627 -3.112 1.00 0.00 N ATOM 464 CA LEU A 32 13.821 5.404 -1.893 1.00 0.00 C ATOM 465 C LEU A 32 14.302 4.512 -0.753 1.00 0.00 C ATOM 466 O LEU A 32 14.502 3.310 -0.933 1.00 0.00 O ATOM 467 CB LEU A 32 12.525 6.109 -1.493 1.00 0.00 C ATOM 468 CG LEU A 32 11.940 7.076 -2.523 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.473 7.348 -2.229 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.732 8.375 -2.545 1.00 0.00 C ATOM 0 H LEU A 32 12.751 4.091 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 32 14.588 6.153 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.776 5.349 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.705 6.659 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 32 12.011 6.614 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.075 8.038 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.915 6.412 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.376 7.789 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.302 9.051 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.694 8.841 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.769 8.164 -2.807 1.00 0.00 H new ATOM 482 N SER A 33 14.483 5.108 0.421 1.00 0.00 N ATOM 483 CA SER A 33 14.941 4.368 1.591 1.00 0.00 C ATOM 484 C SER A 33 13.929 4.466 2.728 1.00 0.00 C ATOM 485 O SER A 33 13.497 5.560 3.096 1.00 0.00 O ATOM 486 CB SER A 33 16.300 4.897 2.056 1.00 0.00 C ATOM 487 OG SER A 33 16.658 4.349 3.313 1.00 0.00 O ATOM 0 H SER A 33 14.320 6.101 0.587 1.00 0.00 H new ATOM 0 HA SER A 33 15.043 3.320 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.062 4.649 1.317 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.266 5.984 2.126 1.00 0.00 H new ATOM 0 HG SER A 33 17.530 4.701 3.587 1.00 0.00 H new ATOM 493 N ILE A 34 13.553 3.318 3.279 1.00 0.00 N ATOM 494 CA ILE A 34 12.593 3.273 4.373 1.00 0.00 C ATOM 495 C ILE A 34 13.248 3.654 5.697 1.00 0.00 C ATOM 496 O ILE A 34 12.656 4.354 6.516 1.00 0.00 O ATOM 497 CB ILE A 34 11.958 1.877 4.511 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.230 1.495 3.221 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.004 1.843 5.695 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.220 0.006 2.951 1.00 0.00 C ATOM 0 H ILE A 34 13.900 2.405 2.985 1.00 0.00 H new ATOM 0 HA ILE A 34 11.812 3.996 4.135 1.00 0.00 H new ATOM 0 HB ILE A 34 12.750 1.149 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.202 1.853 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.703 2.005 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.563 0.850 5.779 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.550 2.076 6.609 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.214 2.579 5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.687 -0.192 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.245 -0.355 2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.721 -0.509 3.772 1.00 0.00 H new ATOM 512 N GLY A 35 14.478 3.190 5.896 1.00 0.00 N ATOM 513 CA GLY A 35 15.196 3.492 7.121 1.00 0.00 C ATOM 514 C GLY A 35 15.330 2.286 8.028 1.00 0.00 C ATOM 515 O GLY A 35 14.912 1.178 7.690 1.00 0.00 O ATOM 0 H GLY A 35 14.990 2.610 5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.189 3.868 6.873 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.678 4.288 7.655 1.00 0.00 H new ATOM 519 N PRO A 36 15.928 2.494 9.211 1.00 0.00 N ATOM 520 CA PRO A 36 16.131 1.425 10.193 1.00 0.00 C ATOM 521 C PRO A 36 14.823 0.962 10.826 1.00 0.00 C ATOM 522 O PRO A 36 14.641 -0.225 11.099 1.00 0.00 O ATOM 523 CB PRO A 36 17.031 2.077 11.246 1.00 0.00 C ATOM 524 CG PRO A 36 16.752 3.536 11.132 1.00 0.00 C ATOM 525 CD PRO A 36 16.450 3.787 9.680 1.00 0.00 C ATOM 0 HA PRO A 36 16.559 0.531 9.739 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.803 1.707 12.246 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.082 1.859 11.058 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.909 3.823 11.761 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.609 4.124 11.460 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.718 4.585 9.554 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.343 4.083 9.129 1.00 0.00 H new ATOM 533 N ASP A 37 13.915 1.904 11.053 1.00 0.00 N ATOM 534 CA ASP A 37 12.622 1.592 11.652 1.00 0.00 C ATOM 535 C ASP A 37 11.528 1.550 10.589 1.00 0.00 C ATOM 536 O ASP A 37 11.058 2.590 10.125 1.00 0.00 O ATOM 537 CB ASP A 37 12.269 2.624 12.724 1.00 0.00 C ATOM 538 CG ASP A 37 13.311 2.695 13.823 1.00 0.00 C ATOM 539 OD1 ASP A 37 14.450 3.120 13.537 1.00 0.00 O ATOM 540 OD2 ASP A 37 12.987 2.324 14.971 1.00 0.00 O ATOM 0 H ASP A 37 14.050 2.890 10.831 1.00 0.00 H new ATOM 0 HA ASP A 37 12.692 0.608 12.116 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.167 3.605 12.260 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.302 2.375 13.160 1.00 0.00 H new ATOM 545 N PHE A 38 11.127 0.342 10.208 1.00 0.00 N ATOM 546 CA PHE A 38 10.090 0.164 9.199 1.00 0.00 C ATOM 547 C PHE A 38 8.853 0.992 9.538 1.00 0.00 C ATOM 548 O PHE A 38 8.541 1.967 8.856 1.00 0.00 O ATOM 549 CB PHE A 38 9.711 -1.313 9.080 1.00 0.00 C ATOM 550 CG PHE A 38 8.919 -1.633 7.845 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.463 -1.432 6.586 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.631 -2.134 7.941 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.736 -1.724 5.448 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.900 -2.429 6.806 1.00 0.00 C ATOM 555 CZ PHE A 38 7.454 -2.224 5.557 1.00 0.00 C ATOM 0 H PHE A 38 11.505 -0.528 10.583 1.00 0.00 H new ATOM 0 HA PHE A 38 10.486 0.508 8.244 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.620 -1.914 9.084 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.133 -1.603 9.957 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.466 -1.043 6.494 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.193 -2.296 8.915 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.171 -1.561 4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.897 -2.819 6.895 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.885 -2.454 4.668 1.00 0.00 H new ATOM 565 N GLN A 39 8.155 0.594 10.597 1.00 0.00 N ATOM 566 CA GLN A 39 6.951 1.298 11.026 1.00 0.00 C ATOM 567 C GLN A 39 7.125 2.807 10.886 1.00 0.00 C ATOM 568 O GLN A 39 6.201 3.513 10.481 1.00 0.00 O ATOM 569 CB GLN A 39 6.618 0.944 12.476 1.00 0.00 C ATOM 570 CG GLN A 39 5.270 1.473 12.937 1.00 0.00 C ATOM 571 CD GLN A 39 5.363 2.860 13.541 1.00 0.00 C ATOM 572 OE1 GLN A 39 4.828 3.850 12.834 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 5.909 3.042 14.629 1.00 0.00 N flip ATOM 0 H GLN A 39 8.402 -0.211 11.173 1.00 0.00 H new ATOM 0 HA GLN A 39 6.128 0.984 10.384 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.631 -0.140 12.589 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.397 1.342 13.126 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.584 1.495 12.090 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.847 0.788 13.672 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.307 2.253 15.138 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.964 3.982 15.021 1.00 0.00 H new ATOM 582 N LYS A 40 8.314 3.295 11.221 1.00 0.00 N ATOM 583 CA LYS A 40 8.609 4.720 11.132 1.00 0.00 C ATOM 584 C LYS A 40 8.691 5.169 9.677 1.00 0.00 C ATOM 585 O LYS A 40 7.817 5.882 9.186 1.00 0.00 O ATOM 586 CB LYS A 40 9.924 5.035 11.849 1.00 0.00 C ATOM 587 CG LYS A 40 9.966 4.545 13.286 1.00 0.00 C ATOM 588 CD LYS A 40 9.016 5.333 14.172 1.00 0.00 C ATOM 589 CE LYS A 40 8.733 4.601 15.475 1.00 0.00 C ATOM 590 NZ LYS A 40 9.877 4.693 16.423 1.00 0.00 N ATOM 0 H LYS A 40 9.090 2.724 11.557 1.00 0.00 H new ATOM 0 HA LYS A 40 7.798 5.264 11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.747 4.583 11.296 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.086 6.113 11.837 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.703 3.488 13.319 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.982 4.633 13.672 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.446 6.311 14.389 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.080 5.507 13.640 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.841 5.020 15.941 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.520 3.553 15.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.645 4.182 17.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.722 4.270 15.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.065 5.692 16.645 1.00 0.00 H new ATOM 604 N GLY A 41 9.747 4.744 8.990 1.00 0.00 N ATOM 605 CA GLY A 41 9.924 5.110 7.597 1.00 0.00 C ATOM 606 C GLY A 41 8.606 5.219 6.856 1.00 0.00 C ATOM 607 O GLY A 41 8.403 6.145 6.068 1.00 0.00 O ATOM 0 H GLY A 41 10.484 4.152 9.374 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.450 6.063 7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.553 4.368 7.106 1.00 0.00 H new ATOM 611 N LEU A 42 7.708 4.273 7.105 1.00 0.00 N ATOM 612 CA LEU A 42 6.402 4.265 6.455 1.00 0.00 C ATOM 613 C LEU A 42 5.420 5.167 7.193 1.00 0.00 C ATOM 614 O LEU A 42 4.558 5.797 6.581 1.00 0.00 O ATOM 615 CB LEU A 42 5.852 2.839 6.388 1.00 0.00 C ATOM 616 CG LEU A 42 6.808 1.775 5.845 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.168 0.398 5.917 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.214 2.103 4.416 1.00 0.00 C ATOM 0 H LEU A 42 7.860 3.500 7.753 1.00 0.00 H new ATOM 0 HA LEU A 42 6.526 4.648 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.542 2.543 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.957 2.845 5.767 1.00 0.00 H new ATOM 0 HG LEU A 42 7.705 1.769 6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.862 -0.347 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.928 0.162 6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.255 0.390 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.894 1.336 4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.326 2.137 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.713 3.072 4.393 1.00 0.00 H new ATOM 630 N LYS A 43 5.557 5.226 8.513 1.00 0.00 N ATOM 631 CA LYS A 43 4.684 6.055 9.338 1.00 0.00 C ATOM 632 C LYS A 43 4.280 7.324 8.596 1.00 0.00 C ATOM 633 O LYS A 43 3.136 7.461 8.160 1.00 0.00 O ATOM 634 CB LYS A 43 5.383 6.420 10.649 1.00 0.00 C ATOM 635 CG LYS A 43 4.551 7.312 11.554 1.00 0.00 C ATOM 636 CD LYS A 43 5.400 7.949 12.643 1.00 0.00 C ATOM 637 CE LYS A 43 4.804 9.266 13.114 1.00 0.00 C ATOM 638 NZ LYS A 43 5.547 9.827 14.276 1.00 0.00 N ATOM 0 H LYS A 43 6.265 4.710 9.036 1.00 0.00 H new ATOM 0 HA LYS A 43 3.784 5.482 9.560 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.632 5.504 11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.323 6.923 10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.075 8.092 10.960 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.753 6.726 12.010 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.485 7.264 13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.409 8.119 12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.816 9.984 12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.760 9.114 13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.110 10.725 14.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.514 9.153 15.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.537 9.996 14.006 1.00 0.00 H new ATOM 652 N ASP A 44 5.223 8.248 8.455 1.00 0.00 N ATOM 653 CA ASP A 44 4.964 9.506 7.762 1.00 0.00 C ATOM 654 C ASP A 44 4.168 9.268 6.483 1.00 0.00 C ATOM 655 O ASP A 44 3.292 10.056 6.130 1.00 0.00 O ATOM 656 CB ASP A 44 6.281 10.212 7.435 1.00 0.00 C ATOM 657 CG ASP A 44 7.261 10.175 8.591 1.00 0.00 C ATOM 658 OD1 ASP A 44 7.657 9.062 8.998 1.00 0.00 O ATOM 659 OD2 ASP A 44 7.634 11.258 9.087 1.00 0.00 O ATOM 0 H ASP A 44 6.174 8.151 8.811 1.00 0.00 H new ATOM 0 HA ASP A 44 4.374 10.142 8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.735 9.742 6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.077 11.249 7.168 1.00 0.00 H new ATOM 664 N GLY A 45 4.480 8.176 5.792 1.00 0.00 N ATOM 665 CA GLY A 45 3.785 7.854 4.559 1.00 0.00 C ATOM 666 C GLY A 45 4.396 8.541 3.353 1.00 0.00 C ATOM 667 O GLY A 45 3.682 9.080 2.507 1.00 0.00 O ATOM 0 H GLY A 45 5.202 7.508 6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.803 6.775 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.739 8.146 4.648 1.00 0.00 H new ATOM 671 N THR A 46 5.724 8.523 3.274 1.00 0.00 N ATOM 672 CA THR A 46 6.431 9.150 2.166 1.00 0.00 C ATOM 673 C THR A 46 6.613 8.176 1.008 1.00 0.00 C ATOM 674 O THR A 46 6.177 8.441 -0.113 1.00 0.00 O ATOM 675 CB THR A 46 7.812 9.673 2.604 1.00 0.00 C ATOM 676 OG1 THR A 46 8.528 8.645 3.295 1.00 0.00 O ATOM 677 CG2 THR A 46 7.668 10.891 3.505 1.00 0.00 C ATOM 0 H THR A 46 6.330 8.081 3.965 1.00 0.00 H new ATOM 0 HA THR A 46 5.820 9.991 1.837 1.00 0.00 H new ATOM 0 HB THR A 46 8.366 9.964 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.406 8.985 3.569 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.656 11.243 3.802 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.148 11.683 2.966 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.097 10.621 4.393 1.00 0.00 H new ATOM 685 N ILE A 47 7.259 7.049 1.286 1.00 0.00 N ATOM 686 CA ILE A 47 7.496 6.034 0.266 1.00 0.00 C ATOM 687 C ILE A 47 6.195 5.356 -0.148 1.00 0.00 C ATOM 688 O ILE A 47 5.850 5.319 -1.330 1.00 0.00 O ATOM 689 CB ILE A 47 8.485 4.962 0.760 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.826 5.603 1.126 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.679 3.890 -0.303 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.565 4.872 2.225 1.00 0.00 C ATOM 0 H ILE A 47 7.628 6.815 2.208 1.00 0.00 H new ATOM 0 HA ILE A 47 7.926 6.546 -0.595 1.00 0.00 H new ATOM 0 HB ILE A 47 8.072 4.492 1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.456 5.640 0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.654 6.633 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.381 3.139 0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.722 3.416 -0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.074 4.345 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.506 5.382 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.954 4.858 3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.769 3.849 1.908 1.00 0.00 H new ATOM 704 N LEU A 48 5.474 4.821 0.832 1.00 0.00 N ATOM 705 CA LEU A 48 4.208 4.146 0.569 1.00 0.00 C ATOM 706 C LEU A 48 3.470 4.803 -0.592 1.00 0.00 C ATOM 707 O LEU A 48 2.933 4.121 -1.465 1.00 0.00 O ATOM 708 CB LEU A 48 3.330 4.162 1.822 1.00 0.00 C ATOM 709 CG LEU A 48 3.644 3.100 2.876 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.701 3.230 4.062 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.556 1.706 2.272 1.00 0.00 C ATOM 0 H LEU A 48 5.745 4.842 1.815 1.00 0.00 H new ATOM 0 HA LEU A 48 4.425 3.113 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.415 5.144 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.291 4.044 1.515 1.00 0.00 H new ATOM 0 HG LEU A 48 4.663 3.257 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.939 2.466 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.814 4.217 4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.673 3.100 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.783 0.963 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.549 1.538 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.273 1.617 1.456 1.00 0.00 H new ATOM 723 N CYS A 49 3.451 6.132 -0.597 1.00 0.00 N ATOM 724 CA CYS A 49 2.780 6.882 -1.653 1.00 0.00 C ATOM 725 C CYS A 49 3.451 6.641 -3.002 1.00 0.00 C ATOM 726 O CYS A 49 2.807 6.211 -3.960 1.00 0.00 O ATOM 727 CB CYS A 49 2.785 8.376 -1.327 1.00 0.00 C ATOM 728 SG CYS A 49 1.611 8.854 -0.038 1.00 0.00 S ATOM 0 H CYS A 49 3.892 6.711 0.117 1.00 0.00 H new ATOM 0 HA CYS A 49 1.749 6.534 -1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.788 8.666 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.559 8.936 -2.235 1.00 0.00 H new ATOM 0 HG CYS A 49 2.220 8.896 1.110 1.00 0.00 H new ATOM 734 N THR A 50 4.748 6.922 -3.071 1.00 0.00 N ATOM 735 CA THR A 50 5.505 6.739 -4.302 1.00 0.00 C ATOM 736 C THR A 50 5.393 5.306 -4.809 1.00 0.00 C ATOM 737 O THR A 50 5.301 5.067 -6.013 1.00 0.00 O ATOM 738 CB THR A 50 6.993 7.087 -4.104 1.00 0.00 C ATOM 739 OG1 THR A 50 7.458 6.554 -2.859 1.00 0.00 O ATOM 740 CG2 THR A 50 7.204 8.593 -4.127 1.00 0.00 C ATOM 0 H THR A 50 5.296 7.278 -2.288 1.00 0.00 H new ATOM 0 HA THR A 50 5.076 7.417 -5.040 1.00 0.00 H new ATOM 0 HB THR A 50 7.560 6.644 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.866 5.828 -2.573 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.262 8.814 -3.985 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.875 8.992 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.626 9.054 -3.326 1.00 0.00 H new ATOM 748 N LEU A 51 5.401 4.354 -3.882 1.00 0.00 N ATOM 749 CA LEU A 51 5.300 2.942 -4.235 1.00 0.00 C ATOM 750 C LEU A 51 4.122 2.698 -5.172 1.00 0.00 C ATOM 751 O LEU A 51 4.281 2.127 -6.250 1.00 0.00 O ATOM 752 CB LEU A 51 5.147 2.091 -2.973 1.00 0.00 C ATOM 753 CG LEU A 51 4.709 0.642 -3.190 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.737 -0.108 -4.023 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.492 -0.056 -1.855 1.00 0.00 C ATOM 0 H LEU A 51 5.476 4.534 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 51 6.216 2.655 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.100 2.086 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.422 2.575 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 51 3.764 0.647 -3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.408 -1.137 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.844 0.378 -4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.697 -0.103 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.181 -1.086 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.421 -0.049 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.718 0.467 -1.293 1.00 0.00 H new ATOM 767 N MET A 52 2.938 3.137 -4.753 1.00 0.00 N ATOM 768 CA MET A 52 1.734 2.969 -5.558 1.00 0.00 C ATOM 769 C MET A 52 1.876 3.672 -6.904 1.00 0.00 C ATOM 770 O MET A 52 1.688 3.063 -7.955 1.00 0.00 O ATOM 771 CB MET A 52 0.516 3.517 -4.810 1.00 0.00 C ATOM 772 CG MET A 52 -0.806 2.957 -5.310 1.00 0.00 C ATOM 773 SD MET A 52 -0.885 1.158 -5.203 1.00 0.00 S ATOM 774 CE MET A 52 -1.762 0.767 -6.715 1.00 0.00 C ATOM 0 H MET A 52 2.788 3.611 -3.862 1.00 0.00 H new ATOM 0 HA MET A 52 1.593 1.903 -5.738 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.619 3.290 -3.749 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.500 4.603 -4.904 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.621 3.388 -4.729 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.957 3.262 -6.345 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.228 -0.214 -6.622 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.531 1.518 -6.894 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.062 0.758 -7.550 1.00 0.00 H new ATOM 784 N ASN A 53 2.210 4.959 -6.862 1.00 0.00 N ATOM 785 CA ASN A 53 2.377 5.745 -8.080 1.00 0.00 C ATOM 786 C ASN A 53 3.128 4.948 -9.142 1.00 0.00 C ATOM 787 O ASN A 53 2.913 5.134 -10.341 1.00 0.00 O ATOM 788 CB ASN A 53 3.126 7.043 -7.775 1.00 0.00 C ATOM 789 CG ASN A 53 2.190 8.180 -7.414 1.00 0.00 C ATOM 790 OD1 ASN A 53 1.144 8.360 -8.038 1.00 0.00 O ATOM 791 ND2 ASN A 53 2.562 8.955 -6.401 1.00 0.00 N ATOM 0 H ASN A 53 2.370 5.479 -5.999 1.00 0.00 H new ATOM 0 HA ASN A 53 1.387 5.987 -8.466 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.821 6.873 -6.953 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.722 7.328 -8.642 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.972 9.736 -6.113 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.437 8.769 -5.912 1.00 0.00 H new ATOM 798 N LYS A 54 4.010 4.061 -8.696 1.00 0.00 N ATOM 799 CA LYS A 54 4.792 3.234 -9.606 1.00 0.00 C ATOM 800 C LYS A 54 3.957 2.074 -10.142 1.00 0.00 C ATOM 801 O LYS A 54 4.020 1.748 -11.328 1.00 0.00 O ATOM 802 CB LYS A 54 6.036 2.695 -8.898 1.00 0.00 C ATOM 803 CG LYS A 54 6.985 3.783 -8.424 1.00 0.00 C ATOM 804 CD LYS A 54 7.634 4.505 -9.592 1.00 0.00 C ATOM 805 CE LYS A 54 8.487 5.673 -9.122 1.00 0.00 C ATOM 806 NZ LYS A 54 9.497 6.070 -10.142 1.00 0.00 N ATOM 0 H LYS A 54 4.201 3.896 -7.708 1.00 0.00 H new ATOM 0 HA LYS A 54 5.101 3.856 -10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.726 2.097 -8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.570 2.029 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.440 4.500 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.757 3.344 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.252 3.806 -10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.862 4.867 -10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.844 6.524 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.994 5.403 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.058 6.869 -9.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.127 5.266 -10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.013 6.353 -11.018 1.00 0.00 H new ATOM 820 N LEU A 55 3.177 1.457 -9.261 1.00 0.00 N ATOM 821 CA LEU A 55 2.329 0.334 -9.646 1.00 0.00 C ATOM 822 C LEU A 55 1.144 0.809 -10.481 1.00 0.00 C ATOM 823 O LEU A 55 0.934 0.341 -11.600 1.00 0.00 O ATOM 824 CB LEU A 55 1.829 -0.402 -8.402 1.00 0.00 C ATOM 825 CG LEU A 55 2.885 -0.727 -7.345 1.00 0.00 C ATOM 826 CD1 LEU A 55 2.232 -1.311 -6.101 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.923 -1.687 -7.906 1.00 0.00 C ATOM 0 H LEU A 55 3.114 1.715 -8.276 1.00 0.00 H new ATOM 0 HA LEU A 55 2.925 -0.350 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.051 0.202 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.362 -1.334 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 55 3.389 0.198 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.998 -1.536 -5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.528 -0.590 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.702 -2.226 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.667 -1.907 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.435 -2.612 -8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.413 -1.231 -8.767 1.00 0.00 H new ATOM 839 N GLN A 56 0.374 1.741 -9.930 1.00 0.00 N ATOM 840 CA GLN A 56 -0.790 2.279 -10.625 1.00 0.00 C ATOM 841 C GLN A 56 -0.489 3.661 -11.199 1.00 0.00 C ATOM 842 O GLN A 56 -0.098 4.584 -10.486 1.00 0.00 O ATOM 843 CB GLN A 56 -1.986 2.358 -9.676 1.00 0.00 C ATOM 844 CG GLN A 56 -3.131 3.204 -10.209 1.00 0.00 C ATOM 845 CD GLN A 56 -4.484 2.735 -9.713 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.041 1.761 -10.222 1.00 0.00 O ATOM 847 NE2 GLN A 56 -5.022 3.425 -8.715 1.00 0.00 N ATOM 0 H GLN A 56 0.535 2.139 -9.005 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.033 1.607 -11.448 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.351 1.350 -9.480 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.656 2.768 -8.722 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.979 4.242 -9.912 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.119 3.179 -11.299 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.526 4.225 -8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.931 3.155 -8.340 1.00 0.00 H new ATOM 856 N PRO A 57 -0.676 3.806 -12.520 1.00 0.00 N ATOM 857 CA PRO A 57 -0.431 5.071 -13.218 1.00 0.00 C ATOM 858 C PRO A 57 -1.455 6.142 -12.856 1.00 0.00 C ATOM 859 O PRO A 57 -2.433 6.347 -13.573 1.00 0.00 O ATOM 860 CB PRO A 57 -0.556 4.690 -14.696 1.00 0.00 C ATOM 861 CG PRO A 57 -1.440 3.491 -14.704 1.00 0.00 C ATOM 862 CD PRO A 57 -1.141 2.748 -13.432 1.00 0.00 C ATOM 0 HA PRO A 57 0.535 5.501 -12.954 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.987 5.504 -15.280 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.418 4.467 -15.131 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.490 3.780 -14.749 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.243 2.867 -15.576 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.026 2.243 -13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.379 1.984 -13.583 1.00 0.00 H new ATOM 870 N GLY A 58 -1.224 6.821 -11.737 1.00 0.00 N ATOM 871 CA GLY A 58 -2.135 7.863 -11.299 1.00 0.00 C ATOM 872 C GLY A 58 -2.915 7.468 -10.060 1.00 0.00 C ATOM 873 O GLY A 58 -4.139 7.588 -10.024 1.00 0.00 O ATOM 0 H GLY A 58 -0.422 6.668 -11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.570 8.773 -11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.832 8.095 -12.105 1.00 0.00 H new ATOM 877 N SER A 59 -2.204 6.994 -9.042 1.00 0.00 N ATOM 878 CA SER A 59 -2.837 6.574 -7.798 1.00 0.00 C ATOM 879 C SER A 59 -2.840 7.711 -6.780 1.00 0.00 C ATOM 880 O SER A 59 -3.896 8.138 -6.312 1.00 0.00 O ATOM 881 CB SER A 59 -2.114 5.358 -7.217 1.00 0.00 C ATOM 882 OG SER A 59 -0.740 5.365 -7.567 1.00 0.00 O ATOM 0 H SER A 59 -1.189 6.891 -9.055 1.00 0.00 H new ATOM 0 HA SER A 59 -3.869 6.302 -8.019 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.216 5.355 -6.132 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.581 4.444 -7.584 1.00 0.00 H new ATOM 0 HG SER A 59 -0.639 5.089 -8.502 1.00 0.00 H new ATOM 888 N VAL A 60 -1.649 8.197 -6.441 1.00 0.00 N ATOM 889 CA VAL A 60 -1.513 9.285 -5.479 1.00 0.00 C ATOM 890 C VAL A 60 -1.300 10.618 -6.186 1.00 0.00 C ATOM 891 O VAL A 60 -0.407 10.772 -7.020 1.00 0.00 O ATOM 892 CB VAL A 60 -0.342 9.035 -4.512 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.208 10.186 -3.527 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.528 7.715 -3.779 1.00 0.00 C ATOM 0 H VAL A 60 -0.765 7.855 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.442 9.324 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 60 0.579 8.975 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.625 9.992 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.025 11.112 -4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.128 10.281 -2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.309 7.555 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.457 7.743 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.570 6.900 -4.502 1.00 0.00 H new ATOM 904 N PRO A 61 -2.138 11.609 -5.846 1.00 0.00 N ATOM 905 CA PRO A 61 -2.060 12.949 -6.435 1.00 0.00 C ATOM 906 C PRO A 61 -0.819 13.711 -5.982 1.00 0.00 C ATOM 907 O PRO A 61 -0.109 14.302 -6.795 1.00 0.00 O ATOM 908 CB PRO A 61 -3.327 13.637 -5.922 1.00 0.00 C ATOM 909 CG PRO A 61 -3.659 12.923 -4.657 1.00 0.00 C ATOM 910 CD PRO A 61 -3.225 11.497 -4.860 1.00 0.00 C ATOM 0 HA PRO A 61 -1.989 12.912 -7.522 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.157 14.699 -5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.139 13.561 -6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.142 13.371 -3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.727 12.980 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.879 11.046 -3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.042 10.877 -5.231 1.00 0.00 H new ATOM 918 N LYS A 62 -0.563 13.693 -4.678 1.00 0.00 N ATOM 919 CA LYS A 62 0.593 14.380 -4.115 1.00 0.00 C ATOM 920 C LYS A 62 0.980 13.778 -2.767 1.00 0.00 C ATOM 921 O LYS A 62 0.210 13.027 -2.169 1.00 0.00 O ATOM 922 CB LYS A 62 0.296 15.872 -3.954 1.00 0.00 C ATOM 923 CG LYS A 62 1.544 16.733 -3.850 1.00 0.00 C ATOM 924 CD LYS A 62 1.283 18.152 -4.325 1.00 0.00 C ATOM 925 CE LYS A 62 2.258 19.137 -3.701 1.00 0.00 C ATOM 926 NZ LYS A 62 3.621 19.018 -4.290 1.00 0.00 N ATOM 0 H LYS A 62 -1.141 13.209 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 62 1.430 14.255 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.298 16.209 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.312 16.019 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.889 16.752 -2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.343 16.290 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.367 18.194 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.262 18.439 -4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.889 20.153 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.311 18.964 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.256 19.706 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.984 18.056 -4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.576 19.208 -5.311 1.00 0.00 H new ATOM 940 N ILE A 63 2.176 14.114 -2.297 1.00 0.00 N ATOM 941 CA ILE A 63 2.663 13.609 -1.019 1.00 0.00 C ATOM 942 C ILE A 63 3.016 14.754 -0.075 1.00 0.00 C ATOM 943 O ILE A 63 3.640 15.735 -0.477 1.00 0.00 O ATOM 944 CB ILE A 63 3.901 12.711 -1.204 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.556 11.504 -2.078 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.432 12.258 0.148 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.759 10.881 -2.750 1.00 0.00 C ATOM 0 H ILE A 63 2.826 14.733 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 63 1.857 13.018 -0.585 1.00 0.00 H new ATOM 0 HB ILE A 63 4.679 13.287 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.062 10.751 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.842 11.811 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.307 11.624 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.710 13.130 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.660 11.695 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.439 10.031 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.241 11.620 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.465 10.543 -1.991 1.00 0.00 H new ATOM 959 N ASN A 64 2.614 14.618 1.185 1.00 0.00 N ATOM 960 CA ASN A 64 2.889 15.640 2.188 1.00 0.00 C ATOM 961 C ASN A 64 4.200 15.352 2.914 1.00 0.00 C ATOM 962 O ASN A 64 4.227 14.605 3.892 1.00 0.00 O ATOM 963 CB ASN A 64 1.741 15.717 3.197 1.00 0.00 C ATOM 964 CG ASN A 64 0.416 16.053 2.540 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.376 16.707 1.498 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.676 15.607 3.149 1.00 0.00 N ATOM 0 H ASN A 64 2.097 13.811 1.535 1.00 0.00 H new ATOM 0 HA ASN A 64 2.980 16.599 1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.654 14.763 3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.972 16.471 3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.596 15.803 2.754 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.595 15.068 4.011 1.00 0.00 H new ATOM 973 N ARG A 65 5.283 15.950 2.429 1.00 0.00 N ATOM 974 CA ARG A 65 6.596 15.757 3.031 1.00 0.00 C ATOM 975 C ARG A 65 6.805 16.716 4.199 1.00 0.00 C ATOM 976 O ARG A 65 7.881 17.294 4.356 1.00 0.00 O ATOM 977 CB ARG A 65 7.695 15.962 1.986 1.00 0.00 C ATOM 978 CG ARG A 65 7.722 14.888 0.911 1.00 0.00 C ATOM 979 CD ARG A 65 8.869 15.103 -0.063 1.00 0.00 C ATOM 980 NE ARG A 65 8.706 16.329 -0.838 1.00 0.00 N ATOM 981 CZ ARG A 65 9.521 16.691 -1.823 1.00 0.00 C ATOM 982 NH1 ARG A 65 10.551 15.923 -2.151 1.00 0.00 N ATOM 983 NH2 ARG A 65 9.307 17.822 -2.482 1.00 0.00 N ATOM 0 H ARG A 65 5.277 16.572 1.621 1.00 0.00 H new ATOM 0 HA ARG A 65 6.648 14.736 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.558 16.934 1.513 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.662 15.986 2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.818 13.907 1.377 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.777 14.891 0.368 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.809 15.144 0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.934 14.252 -0.741 1.00 0.00 H new ATOM 0 HE ARG A 65 7.923 16.942 -0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.719 15.052 -1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.175 16.203 -2.908 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.516 18.416 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.934 18.098 -3.238 1.00 0.00 H new ATOM 997 N SER A 66 5.770 16.880 5.016 1.00 0.00 N ATOM 998 CA SER A 66 5.839 17.771 6.168 1.00 0.00 C ATOM 999 C SER A 66 5.927 16.977 7.466 1.00 0.00 C ATOM 1000 O SER A 66 5.399 15.869 7.566 1.00 0.00 O ATOM 1001 CB SER A 66 4.616 18.691 6.201 1.00 0.00 C ATOM 1002 OG SER A 66 4.774 19.716 7.167 1.00 0.00 O ATOM 0 H SER A 66 4.873 16.407 4.902 1.00 0.00 H new ATOM 0 HA SER A 66 6.740 18.378 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.464 19.135 5.217 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.724 18.107 6.428 1.00 0.00 H new ATOM 0 HG SER A 66 3.980 20.291 7.167 1.00 0.00 H new ATOM 1008 N MET A 67 6.598 17.550 8.461 1.00 0.00 N ATOM 1009 CA MET A 67 6.754 16.896 9.754 1.00 0.00 C ATOM 1010 C MET A 67 5.534 17.136 10.636 1.00 0.00 C ATOM 1011 O MET A 67 5.660 17.333 11.844 1.00 0.00 O ATOM 1012 CB MET A 67 8.014 17.404 10.458 1.00 0.00 C ATOM 1013 CG MET A 67 8.531 16.464 11.534 1.00 0.00 C ATOM 1014 SD MET A 67 9.920 17.155 12.451 1.00 0.00 S ATOM 1015 CE MET A 67 11.194 15.946 12.097 1.00 0.00 C ATOM 0 H MET A 67 7.042 18.466 8.396 1.00 0.00 H new ATOM 0 HA MET A 67 6.850 15.824 9.581 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.797 17.559 9.716 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.803 18.375 10.906 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.722 16.232 12.227 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.836 15.524 11.074 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.119 16.235 12.597 1.00 0.00 H new ATOM 0 HE2 MET A 67 10.877 14.967 12.458 1.00 0.00 H new ATOM 0 HE3 MET A 67 11.362 15.899 11.021 1.00 0.00 H new ATOM 1025 N GLN A 68 4.353 17.117 10.024 1.00 0.00 N ATOM 1026 CA GLN A 68 3.111 17.334 10.755 1.00 0.00 C ATOM 1027 C GLN A 68 2.316 16.038 10.872 1.00 0.00 C ATOM 1028 O GLN A 68 2.606 15.057 10.190 1.00 0.00 O ATOM 1029 CB GLN A 68 2.266 18.404 10.061 1.00 0.00 C ATOM 1030 CG GLN A 68 2.883 19.793 10.110 1.00 0.00 C ATOM 1031 CD GLN A 68 3.335 20.181 11.504 1.00 0.00 C ATOM 1032 OE1 GLN A 68 4.519 20.414 11.742 1.00 0.00 O ATOM 1033 NE2 GLN A 68 2.389 20.254 12.434 1.00 0.00 N ATOM 0 H GLN A 68 4.231 16.954 9.025 1.00 0.00 H new ATOM 0 HA GLN A 68 3.364 17.676 11.759 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.117 18.118 9.020 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.281 18.436 10.527 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.735 19.832 9.432 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.156 20.522 9.751 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.419 20.052 12.192 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.633 20.512 13.390 1.00 0.00 H new ATOM 1042 N ASN A 69 1.311 16.043 11.743 1.00 0.00 N ATOM 1043 CA ASN A 69 0.473 14.867 11.949 1.00 0.00 C ATOM 1044 C ASN A 69 -0.505 14.685 10.793 1.00 0.00 C ATOM 1045 O ASN A 69 -0.355 13.775 9.977 1.00 0.00 O ATOM 1046 CB ASN A 69 -0.294 14.988 13.268 1.00 0.00 C ATOM 1047 CG ASN A 69 0.628 15.116 14.464 1.00 0.00 C ATOM 1048 OD1 ASN A 69 1.623 15.840 14.421 1.00 0.00 O ATOM 1049 ND2 ASN A 69 0.302 14.410 15.541 1.00 0.00 N ATOM 0 H ASN A 69 1.058 16.847 12.317 1.00 0.00 H new ATOM 0 HA ASN A 69 1.122 13.992 11.992 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.951 15.857 13.225 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.931 14.113 13.396 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.886 14.455 16.376 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.532 13.823 15.533 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.506 15.556 10.730 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.508 15.491 9.673 1.00 0.00 C ATOM 1058 C TRP A 70 -1.862 15.177 8.328 1.00 0.00 C ATOM 1059 O TRP A 70 -2.307 14.281 7.609 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.275 16.813 9.588 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.405 18.018 9.782 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -1.668 18.658 8.828 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -2.182 18.725 11.007 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -0.999 19.721 9.386 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.298 19.784 10.720 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.644 18.568 12.315 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.868 20.678 11.696 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -2.216 19.456 13.284 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -1.337 20.501 12.970 1.00 0.00 C ATOM 0 H TRP A 70 -1.645 16.315 11.398 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.205 14.689 9.916 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.764 16.879 8.616 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.062 16.817 10.342 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.618 18.371 7.788 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.380 20.360 8.887 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.324 17.767 12.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.189 21.483 11.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.565 19.342 14.300 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.023 21.180 13.749 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.812 15.920 7.992 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.105 15.719 6.732 1.00 0.00 C ATOM 1082 C HIS A 71 0.337 14.266 6.584 1.00 0.00 C ATOM 1083 O HIS A 71 0.017 13.610 5.594 1.00 0.00 O ATOM 1084 CB HIS A 71 1.109 16.644 6.652 1.00 0.00 C ATOM 1085 CG HIS A 71 0.767 18.050 6.264 1.00 0.00 C ATOM 1086 ND1 HIS A 71 0.582 19.061 7.183 1.00 0.00 N ATOM 1087 CD2 HIS A 71 0.578 18.612 5.047 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.291 20.183 6.550 1.00 0.00 C ATOM 1089 NE2 HIS A 71 0.283 19.937 5.252 1.00 0.00 N ATOM 0 H HIS A 71 -0.432 16.666 8.574 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.789 15.958 5.917 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.611 16.655 7.619 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.817 16.239 5.929 1.00 0.00 H new ATOM 0 HD1 HIS A 71 0.658 18.958 8.195 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.647 18.111 4.093 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.093 21.138 7.014 1.00 0.00 H new ATOM 1098 N GLN A 72 1.074 13.773 7.572 1.00 0.00 N ATOM 1099 CA GLN A 72 1.561 12.398 7.549 1.00 0.00 C ATOM 1100 C GLN A 72 0.409 11.416 7.364 1.00 0.00 C ATOM 1101 O GLN A 72 0.528 10.437 6.626 1.00 0.00 O ATOM 1102 CB GLN A 72 2.314 12.080 8.842 1.00 0.00 C ATOM 1103 CG GLN A 72 3.704 12.695 8.904 1.00 0.00 C ATOM 1104 CD GLN A 72 4.301 12.646 10.297 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.190 11.640 10.998 1.00 0.00 O ATOM 1106 NE2 GLN A 72 4.941 13.737 10.704 1.00 0.00 N ATOM 0 H GLN A 72 1.348 14.304 8.399 1.00 0.00 H new ATOM 0 HA GLN A 72 2.242 12.294 6.705 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.730 12.437 9.690 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.399 10.998 8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.361 12.169 8.212 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.654 13.731 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.008 14.548 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.365 13.763 11.631 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.706 11.685 8.036 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.880 10.824 7.944 1.00 0.00 C ATOM 1117 C LEU A 73 -2.444 10.820 6.528 1.00 0.00 C ATOM 1118 O LEU A 73 -2.578 9.768 5.905 1.00 0.00 O ATOM 1119 CB LEU A 73 -2.952 11.286 8.932 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.895 10.660 10.327 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.244 9.182 10.264 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.518 10.861 10.944 1.00 0.00 C ATOM 0 H LEU A 73 -0.821 12.492 8.650 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.576 9.808 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.877 12.368 9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.930 11.075 8.501 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.631 11.157 10.959 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.198 8.754 11.266 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.251 9.063 9.864 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.534 8.668 9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.494 10.410 11.936 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.764 10.390 10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.308 11.927 11.025 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.770 12.007 6.023 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.319 12.140 4.679 1.00 0.00 C ATOM 1136 C GLU A 74 -2.585 11.227 3.700 1.00 0.00 C ATOM 1137 O GLU A 74 -3.199 10.624 2.820 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.224 13.593 4.208 1.00 0.00 C ATOM 1139 CG GLU A 74 -4.072 13.891 2.982 1.00 0.00 C ATOM 1140 CD GLU A 74 -4.124 15.370 2.655 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -4.980 16.075 3.227 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -3.307 15.823 1.825 1.00 0.00 O ATOM 0 H GLU A 74 -2.663 12.889 6.524 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.367 11.843 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.532 14.251 5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.183 13.827 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.671 13.347 2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.085 13.523 3.147 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.270 11.132 3.860 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.452 10.295 2.989 1.00 0.00 C ATOM 1151 C ASN A 75 -1.002 8.873 2.931 1.00 0.00 C ATOM 1152 O ASN A 75 -1.273 8.344 1.852 1.00 0.00 O ATOM 1153 CB ASN A 75 0.997 10.274 3.481 1.00 0.00 C ATOM 1154 CG ASN A 75 1.650 11.642 3.413 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.156 12.544 2.738 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.767 11.798 4.114 1.00 0.00 N ATOM 0 H ASN A 75 -0.747 11.624 4.585 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.481 10.719 1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.024 9.912 4.509 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.572 9.570 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.252 12.695 4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.140 11.021 4.660 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.163 8.259 4.097 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.681 6.898 4.180 1.00 0.00 C ATOM 1165 C LEU A 76 -3.114 6.827 3.662 1.00 0.00 C ATOM 1166 O LEU A 76 -3.455 5.954 2.864 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.624 6.396 5.625 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.226 6.204 6.213 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.314 5.752 7.662 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.567 5.201 5.388 1.00 0.00 C ATOM 0 H LEU A 76 -0.942 8.682 4.999 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.056 6.260 3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.168 7.100 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.153 5.445 5.679 1.00 0.00 H new ATOM 0 HG LEU A 76 0.294 7.161 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.691 5.620 8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.843 6.505 8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.853 4.806 7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.559 5.077 5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.050 4.242 5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.661 5.565 4.365 1.00 0.00 H new ATOM 1182 N SER A 77 -3.950 7.754 4.121 1.00 0.00 N ATOM 1183 CA SER A 77 -5.346 7.797 3.704 1.00 0.00 C ATOM 1184 C SER A 77 -5.461 7.766 2.183 1.00 0.00 C ATOM 1185 O SER A 77 -6.355 7.126 1.630 1.00 0.00 O ATOM 1186 CB SER A 77 -6.026 9.053 4.254 1.00 0.00 C ATOM 1187 OG SER A 77 -6.054 9.040 5.670 1.00 0.00 O ATOM 0 H SER A 77 -3.684 8.485 4.781 1.00 0.00 H new ATOM 0 HA SER A 77 -5.847 6.916 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.496 9.939 3.906 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.043 9.118 3.868 1.00 0.00 H new ATOM 0 HG SER A 77 -6.492 9.854 5.996 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.550 8.463 1.513 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.548 8.517 0.056 1.00 0.00 C ATOM 1195 C ASN A 78 -4.157 7.167 -0.539 1.00 0.00 C ATOM 1196 O ASN A 78 -4.861 6.623 -1.388 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.585 9.601 -0.435 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.239 10.967 -0.500 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.410 11.091 -0.860 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.483 12.002 -0.152 1.00 0.00 N ATOM 0 H ASN A 78 -3.803 8.999 1.956 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.558 8.761 -0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.722 9.645 0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.212 9.332 -1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.868 12.946 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.517 11.853 0.140 1.00 0.00 H new ATOM 1207 N PHE A 79 -3.028 6.632 -0.084 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.542 5.346 -0.570 1.00 0.00 C ATOM 1209 C PHE A 79 -3.593 4.258 -0.372 1.00 0.00 C ATOM 1210 O PHE A 79 -3.955 3.551 -1.314 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.249 4.960 0.151 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.816 3.546 -0.111 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.657 3.084 -1.408 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.569 2.677 0.940 1.00 0.00 C ATOM 1215 CE1 PHE A 79 -0.260 1.783 -1.651 1.00 0.00 C ATOM 1216 CE2 PHE A 79 -0.171 1.374 0.703 1.00 0.00 C ATOM 1217 CZ PHE A 79 -0.015 0.928 -0.595 1.00 0.00 C ATOM 0 H PHE A 79 -2.433 7.069 0.620 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.340 5.441 -1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.454 5.638 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.386 5.097 1.224 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.846 3.748 -2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.689 3.022 1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.141 1.435 -2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.017 0.707 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.298 -0.088 -0.784 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.079 4.129 0.858 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.088 3.128 1.179 1.00 0.00 C ATOM 1229 C ILE A 80 -6.192 3.102 0.128 1.00 0.00 C ATOM 1230 O ILE A 80 -6.449 2.073 -0.495 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.716 3.385 2.561 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.652 3.280 3.656 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.848 2.402 2.820 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.005 4.040 4.916 1.00 0.00 C ATOM 0 H ILE A 80 -3.790 4.705 1.648 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.581 2.163 1.193 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.127 4.394 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.501 2.230 3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.705 3.655 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.282 2.597 3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.615 2.520 2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.460 1.384 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.206 3.921 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.127 5.097 4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.936 3.650 5.328 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.843 4.245 -0.065 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.918 4.357 -1.043 1.00 0.00 C ATOM 1248 C LYS A 81 -7.446 3.914 -2.424 1.00 0.00 C ATOM 1249 O LYS A 81 -8.178 3.248 -3.156 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.431 5.798 -1.105 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.190 6.228 0.138 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.867 7.574 -0.059 1.00 0.00 C ATOM 1253 CE LYS A 81 -11.267 7.415 -0.633 1.00 0.00 C ATOM 1254 NZ LYS A 81 -12.138 8.575 -0.295 1.00 0.00 N ATOM 0 H LYS A 81 -6.644 5.107 0.443 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.731 3.702 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.586 6.470 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.081 5.906 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.939 5.476 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.504 6.285 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.921 8.098 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.266 8.190 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.206 7.310 -1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.716 6.499 -0.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.083 8.430 -0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.217 8.661 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.723 9.446 -0.684 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.220 4.287 -2.773 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.649 3.925 -4.065 1.00 0.00 C ATOM 1270 C ALA A 82 -5.624 2.412 -4.248 1.00 0.00 C ATOM 1271 O ALA A 82 -5.902 1.904 -5.334 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.248 4.500 -4.202 1.00 0.00 C ATOM 0 H ALA A 82 -5.602 4.840 -2.179 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.280 4.348 -4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.834 4.222 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.291 5.586 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.613 4.104 -3.409 1.00 0.00 H new ATOM 1278 N MET A 83 -5.285 1.696 -3.180 1.00 0.00 N ATOM 1279 CA MET A 83 -5.224 0.240 -3.224 1.00 0.00 C ATOM 1280 C MET A 83 -6.575 -0.350 -3.615 1.00 0.00 C ATOM 1281 O MET A 83 -6.658 -1.210 -4.492 1.00 0.00 O ATOM 1282 CB MET A 83 -4.784 -0.315 -1.869 1.00 0.00 C ATOM 1283 CG MET A 83 -3.324 -0.043 -1.545 1.00 0.00 C ATOM 1284 SD MET A 83 -2.681 -1.139 -0.266 1.00 0.00 S ATOM 1285 CE MET A 83 -3.284 -0.324 1.212 1.00 0.00 C ATOM 0 H MET A 83 -5.049 2.101 -2.274 1.00 0.00 H new ATOM 0 HA MET A 83 -4.492 -0.045 -3.979 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.408 0.119 -1.088 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.957 -1.391 -1.853 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.727 -0.158 -2.450 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.215 0.992 -1.220 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.997 -0.903 2.090 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.852 0.674 1.279 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.370 -0.247 1.167 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.632 0.117 -2.957 1.00 0.00 N ATOM 1296 CA VAL A 84 -8.979 -0.364 -3.237 1.00 0.00 C ATOM 1297 C VAL A 84 -9.282 -0.318 -4.730 1.00 0.00 C ATOM 1298 O VAL A 84 -9.873 -1.245 -5.284 1.00 0.00 O ATOM 1299 CB VAL A 84 -10.038 0.465 -2.484 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.440 -0.004 -2.846 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.810 0.382 -0.983 1.00 0.00 C ATOM 0 H VAL A 84 -7.581 0.827 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.023 -1.397 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.941 1.508 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.174 0.593 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.597 0.112 -3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.554 -1.053 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.567 0.973 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.879 -0.657 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.820 0.771 -0.743 1.00 0.00 H new ATOM 1311 N SER A 85 -8.872 0.767 -5.378 1.00 0.00 N ATOM 1312 CA SER A 85 -9.100 0.936 -6.808 1.00 0.00 C ATOM 1313 C SER A 85 -8.259 -0.050 -7.613 1.00 0.00 C ATOM 1314 O SER A 85 -8.739 -0.654 -8.573 1.00 0.00 O ATOM 1315 CB SER A 85 -8.773 2.369 -7.233 1.00 0.00 C ATOM 1316 OG SER A 85 -9.900 3.215 -7.085 1.00 0.00 O ATOM 0 H SER A 85 -8.380 1.543 -4.935 1.00 0.00 H new ATOM 0 HA SER A 85 -10.153 0.737 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.947 2.750 -6.632 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.442 2.377 -8.272 1.00 0.00 H new ATOM 0 HG SER A 85 -9.664 4.125 -7.362 1.00 0.00 H new ATOM 1322 N TYR A 86 -7.002 -0.206 -7.216 1.00 0.00 N ATOM 1323 CA TYR A 86 -6.092 -1.117 -7.901 1.00 0.00 C ATOM 1324 C TYR A 86 -6.752 -2.472 -8.137 1.00 0.00 C ATOM 1325 O TYR A 86 -6.670 -3.034 -9.227 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.809 -1.296 -7.088 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.626 -1.750 -7.915 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -3.217 -1.030 -9.031 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.918 -2.897 -7.580 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -2.139 -1.440 -9.790 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.837 -3.314 -8.332 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.451 -2.583 -9.436 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.375 -2.995 -10.188 1.00 0.00 O ATOM 0 H TYR A 86 -6.589 0.286 -6.424 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.843 -0.682 -8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.562 -0.352 -6.603 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.989 -2.023 -6.296 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.752 -0.134 -9.310 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.218 -3.473 -6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.836 -0.870 -10.656 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.297 -4.208 -8.057 1.00 0.00 H new ATOM 0 HH TYR A 86 0.061 -2.215 -10.590 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.407 -2.992 -7.102 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.072 -4.277 -7.216 1.00 0.00 C ATOM 1345 C GLY A 87 -7.795 -5.179 -6.030 1.00 0.00 C ATOM 1346 O GLY A 87 -7.758 -6.402 -6.168 1.00 0.00 O ATOM 0 H GLY A 87 -7.489 -2.546 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.147 -4.120 -7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.745 -4.773 -8.130 1.00 0.00 H new ATOM 1350 N MET A 88 -7.597 -4.576 -4.863 1.00 0.00 N ATOM 1351 CA MET A 88 -7.322 -5.335 -3.648 1.00 0.00 C ATOM 1352 C MET A 88 -8.609 -5.619 -2.880 1.00 0.00 C ATOM 1353 O MET A 88 -9.614 -4.933 -3.060 1.00 0.00 O ATOM 1354 CB MET A 88 -6.339 -4.572 -2.756 1.00 0.00 C ATOM 1355 CG MET A 88 -5.008 -4.279 -3.431 1.00 0.00 C ATOM 1356 SD MET A 88 -3.668 -4.044 -2.249 1.00 0.00 S ATOM 1357 CE MET A 88 -3.593 -5.667 -1.495 1.00 0.00 C ATOM 0 H MET A 88 -7.622 -3.565 -4.732 1.00 0.00 H new ATOM 0 HA MET A 88 -6.876 -6.287 -3.937 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.796 -3.632 -2.448 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.158 -5.151 -1.850 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.756 -5.101 -4.101 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.106 -3.384 -4.046 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.721 -5.726 -0.844 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.496 -5.838 -0.909 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.516 -6.426 -2.273 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.570 -6.633 -2.022 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.734 -7.006 -1.227 1.00 0.00 C ATOM 1369 C ASN A 89 -9.889 -6.084 -0.023 1.00 0.00 C ATOM 1370 O ASN A 89 -8.944 -5.426 0.413 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.614 -8.459 -0.760 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.138 -9.442 -1.787 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -10.611 -9.049 -2.854 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -10.056 -10.729 -1.470 1.00 0.00 N ATOM 0 H ASN A 89 -7.745 -7.211 -1.860 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.619 -6.905 -1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.569 -8.684 -0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.164 -8.584 0.173 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.393 -11.437 -2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.656 -11.009 -0.574 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.110 -6.033 0.531 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.418 -5.195 1.694 1.00 0.00 C ATOM 1383 C PRO A 90 -10.754 -5.706 2.968 1.00 0.00 C ATOM 1384 O PRO A 90 -10.819 -5.062 4.015 1.00 0.00 O ATOM 1385 CB PRO A 90 -12.941 -5.293 1.808 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.286 -6.593 1.167 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.284 -6.790 0.064 1.00 0.00 C ATOM 0 HA PRO A 90 -11.051 -4.176 1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.263 -5.267 2.849 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.430 -4.460 1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.238 -7.409 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.302 -6.576 0.773 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.050 -7.844 -0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.654 -6.410 -0.888 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.115 -6.868 2.873 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.438 -7.464 4.018 1.00 0.00 C ATOM 1397 C VAL A 91 -7.923 -7.390 3.860 1.00 0.00 C ATOM 1398 O VAL A 91 -7.176 -7.754 4.769 1.00 0.00 O ATOM 1399 CB VAL A 91 -9.851 -8.935 4.211 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.332 -9.034 4.542 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.518 -9.749 2.970 1.00 0.00 C ATOM 0 H VAL A 91 -10.052 -7.415 2.014 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.738 -6.892 4.896 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.287 -9.346 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.606 -10.081 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.537 -8.486 5.462 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.916 -8.607 3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.817 -10.786 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.053 -9.341 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.445 -9.704 2.783 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.477 -6.915 2.703 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.050 -6.791 2.426 1.00 0.00 C ATOM 1413 C ASP A 92 -5.599 -5.338 2.541 1.00 0.00 C ATOM 1414 O ASP A 92 -4.551 -4.959 2.016 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.732 -7.328 1.030 1.00 0.00 C ATOM 1416 CG ASP A 92 -5.744 -8.843 0.975 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -4.772 -9.462 1.458 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -6.724 -9.410 0.449 1.00 0.00 O ATOM 0 H ASP A 92 -8.083 -6.609 1.941 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.508 -7.380 3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.459 -6.936 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.753 -6.964 0.718 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.395 -4.530 3.232 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.078 -3.118 3.416 1.00 0.00 C ATOM 1425 C LEU A 93 -5.740 -2.821 4.873 1.00 0.00 C ATOM 1426 O LEU A 93 -5.836 -3.696 5.734 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.253 -2.248 2.964 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.753 -2.483 1.540 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.081 -1.775 1.315 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.718 -2.014 0.526 1.00 0.00 C ATOM 0 H LEU A 93 -7.265 -4.828 3.674 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.206 -2.884 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.084 -2.410 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.961 -1.202 3.057 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.908 -3.553 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.421 -1.954 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.821 -2.159 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.953 -0.704 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.092 -2.189 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.530 -0.949 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.790 -2.567 0.671 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.349 -1.580 5.143 1.00 0.00 N ATOM 1443 CA PHE A 94 -4.999 -1.167 6.497 1.00 0.00 C ATOM 1444 C PHE A 94 -5.383 0.290 6.738 1.00 0.00 C ATOM 1445 O PHE A 94 -5.382 1.102 5.814 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.501 -1.358 6.740 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.643 -0.364 6.009 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.336 -0.547 4.671 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.146 0.754 6.662 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.547 0.366 3.997 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.357 1.669 5.992 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.058 1.476 4.658 1.00 0.00 C ATOM 0 H PHE A 94 -5.267 -0.843 4.443 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.556 -1.791 7.196 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.302 -1.281 7.809 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.217 -2.365 6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.717 -1.412 4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.378 0.911 7.705 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.313 0.212 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.974 2.535 6.512 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.443 2.191 4.132 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.712 0.610 7.985 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.100 1.969 8.347 1.00 0.00 C ATOM 1464 C GLU A 95 -4.918 2.925 8.217 1.00 0.00 C ATOM 1465 O GLU A 95 -3.841 2.540 7.763 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.645 2.005 9.777 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.124 1.670 9.874 1.00 0.00 C ATOM 1468 CD GLU A 95 -8.687 1.914 11.260 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -8.567 3.053 11.757 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.249 0.966 11.847 1.00 0.00 O ATOM 0 H GLU A 95 -5.718 -0.052 8.761 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.883 2.291 7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.081 1.302 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.478 2.997 10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.677 2.269 9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.275 0.625 9.603 1.00 0.00 H new ATOM 1477 N ALA A 96 -5.128 4.174 8.619 1.00 0.00 N ATOM 1478 CA ALA A 96 -4.081 5.186 8.550 1.00 0.00 C ATOM 1479 C ALA A 96 -3.422 5.390 9.910 1.00 0.00 C ATOM 1480 O ALA A 96 -2.313 5.912 10.001 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.649 6.500 8.034 1.00 0.00 C ATOM 0 H ALA A 96 -6.014 4.510 8.996 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.318 4.835 7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.856 7.246 7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.065 6.350 7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.434 6.846 8.706 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.115 4.973 10.966 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.598 5.111 12.322 1.00 0.00 C ATOM 1489 C ASN A 97 -2.743 3.906 12.703 1.00 0.00 C ATOM 1490 O ASN A 97 -1.738 4.041 13.401 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.750 5.269 13.316 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.732 4.114 13.252 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -6.317 3.841 12.203 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -5.915 3.430 14.374 1.00 0.00 N ATOM 0 H ASN A 97 -5.035 4.537 10.908 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.973 6.003 12.357 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.347 5.344 14.326 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.276 6.202 13.113 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.562 2.642 14.391 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.408 3.692 15.220 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.150 2.730 12.241 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.421 1.501 12.532 1.00 0.00 C ATOM 1503 C ASP A 98 -0.916 1.718 12.408 1.00 0.00 C ATOM 1504 O ASP A 98 -0.146 1.319 13.283 1.00 0.00 O ATOM 1505 CB ASP A 98 -2.866 0.383 11.588 1.00 0.00 C ATOM 1506 CG ASP A 98 -3.124 0.882 10.179 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -2.678 2.003 9.857 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -3.772 0.153 9.399 1.00 0.00 O ATOM 0 H ASP A 98 -3.981 2.601 11.663 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.645 1.211 13.559 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.100 -0.392 11.561 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.773 -0.079 11.978 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.504 2.353 11.316 1.00 0.00 N ATOM 1514 CA LEU A 99 0.909 2.624 11.076 1.00 0.00 C ATOM 1515 C LEU A 99 1.361 3.869 11.833 1.00 0.00 C ATOM 1516 O LEU A 99 2.399 3.863 12.495 1.00 0.00 O ATOM 1517 CB LEU A 99 1.169 2.800 9.580 1.00 0.00 C ATOM 1518 CG LEU A 99 2.636 2.865 9.155 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.286 1.494 9.273 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.758 3.394 7.734 1.00 0.00 C ATOM 0 H LEU A 99 -1.128 2.690 10.583 1.00 0.00 H new ATOM 0 HA LEU A 99 1.483 1.772 11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.695 1.974 9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.676 3.715 9.251 1.00 0.00 H new ATOM 0 HG LEU A 99 3.157 3.552 9.822 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.330 1.559 8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.232 1.153 10.307 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.762 0.787 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.809 3.433 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.222 2.733 7.053 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.330 4.395 7.680 1.00 0.00 H new ATOM 1532 N PHE A 100 0.575 4.935 11.731 1.00 0.00 N ATOM 1533 CA PHE A 100 0.892 6.188 12.406 1.00 0.00 C ATOM 1534 C PHE A 100 1.191 5.949 13.884 1.00 0.00 C ATOM 1535 O PHE A 100 2.296 6.212 14.355 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.265 7.178 12.262 1.00 0.00 C ATOM 1537 CG PHE A 100 0.101 8.587 12.633 1.00 0.00 C ATOM 1538 CD1 PHE A 100 1.011 9.303 11.872 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.463 9.194 13.743 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.350 10.600 12.209 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.128 10.490 14.085 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.781 11.193 13.318 1.00 0.00 C ATOM 0 H PHE A 100 -0.287 4.956 11.187 1.00 0.00 H new ATOM 0 HA PHE A 100 1.781 6.609 11.936 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.619 7.163 11.231 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.094 6.849 12.889 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.461 8.842 11.005 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.172 8.648 14.348 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.059 11.148 11.606 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.576 10.953 14.951 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.046 12.205 13.586 1.00 0.00 H new ATOM 1552 N GLU A 101 0.195 5.447 14.609 1.00 0.00 N ATOM 1553 CA GLU A 101 0.351 5.173 16.032 1.00 0.00 C ATOM 1554 C GLU A 101 0.585 3.686 16.278 1.00 0.00 C ATOM 1555 O GLU A 101 0.089 3.121 17.253 1.00 0.00 O ATOM 1556 CB GLU A 101 -0.887 5.640 16.802 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.267 7.085 16.525 1.00 0.00 C ATOM 1558 CD GLU A 101 -1.943 7.748 17.710 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -2.749 7.074 18.386 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -1.666 8.939 17.961 1.00 0.00 O ATOM 0 H GLU A 101 -0.727 5.222 14.234 1.00 0.00 H new ATOM 0 HA GLU A 101 1.222 5.723 16.388 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.728 4.996 16.545 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.707 5.519 17.870 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.372 7.648 16.260 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.934 7.123 15.663 1.00 0.00 H new ATOM 1567 N SER A 102 1.344 3.057 15.387 1.00 0.00 N ATOM 1568 CA SER A 102 1.641 1.634 15.504 1.00 0.00 C ATOM 1569 C SER A 102 0.421 0.863 15.998 1.00 0.00 C ATOM 1570 O SER A 102 0.549 -0.187 16.626 1.00 0.00 O ATOM 1571 CB SER A 102 2.818 1.414 16.456 1.00 0.00 C ATOM 1572 OG SER A 102 2.452 1.700 17.794 1.00 0.00 O ATOM 0 H SER A 102 1.765 3.510 14.576 1.00 0.00 H new ATOM 0 HA SER A 102 1.908 1.261 14.515 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.161 0.382 16.382 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.653 2.050 16.160 1.00 0.00 H new ATOM 0 HG SER A 102 1.609 2.199 17.803 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.764 1.394 15.709 1.00 0.00 N ATOM 1579 CA GLY A 103 -1.990 0.743 16.131 1.00 0.00 C ATOM 1580 C GLY A 103 -2.138 -0.648 15.550 1.00 0.00 C ATOM 1581 O GLY A 103 -2.953 -1.441 16.020 1.00 0.00 O ATOM 0 H GLY A 103 -0.896 2.263 15.191 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.010 0.683 17.219 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.843 1.352 15.830 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.349 -0.947 14.523 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.398 -2.252 13.875 1.00 0.00 C ATOM 1587 C ASN A 104 -0.315 -2.370 12.807 1.00 0.00 C ATOM 1588 O ASN A 104 -0.353 -1.678 11.790 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.775 -2.482 13.248 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.164 -3.949 13.229 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.247 -4.797 12.778 1.00 0.00 O flip ATOM 1592 ND2 ASN A 104 -4.274 -4.313 13.615 1.00 0.00 N flip ATOM 0 H ASN A 104 -0.668 -0.303 14.122 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.220 -3.014 14.634 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.523 -1.918 13.804 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.776 -2.095 12.229 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.947 -3.625 13.954 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.521 -5.302 13.597 1.00 0.00 H new ATOM 1599 N MET A 105 0.651 -3.252 13.045 1.00 0.00 N ATOM 1600 CA MET A 105 1.743 -3.462 12.102 1.00 0.00 C ATOM 1601 C MET A 105 1.513 -4.722 11.275 1.00 0.00 C ATOM 1602 O MET A 105 2.135 -4.914 10.230 1.00 0.00 O ATOM 1603 CB MET A 105 3.075 -3.564 12.848 1.00 0.00 C ATOM 1604 CG MET A 105 3.784 -2.230 13.011 1.00 0.00 C ATOM 1605 SD MET A 105 4.930 -1.882 11.663 1.00 0.00 S ATOM 1606 CE MET A 105 3.786 -1.497 10.339 1.00 0.00 C ATOM 0 H MET A 105 0.699 -3.832 13.882 1.00 0.00 H new ATOM 0 HA MET A 105 1.776 -2.607 11.427 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.898 -3.995 13.833 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.730 -4.251 12.313 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.042 -1.433 13.067 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.328 -2.225 13.955 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.315 -0.977 9.541 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.357 -2.420 9.949 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.988 -0.860 10.721 1.00 0.00 H new ATOM 1616 N THR A 106 0.613 -5.580 11.747 1.00 0.00 N ATOM 1617 CA THR A 106 0.301 -6.822 11.052 1.00 0.00 C ATOM 1618 C THR A 106 -0.619 -6.571 9.864 1.00 0.00 C ATOM 1619 O THR A 106 -0.430 -7.141 8.790 1.00 0.00 O ATOM 1620 CB THR A 106 -0.364 -7.842 11.994 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.738 -7.496 12.202 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.359 -7.893 13.333 1.00 0.00 C ATOM 0 H THR A 106 0.087 -5.436 12.609 1.00 0.00 H new ATOM 0 HA THR A 106 1.247 -7.230 10.696 1.00 0.00 H new ATOM 0 HB THR A 106 -0.305 -8.825 11.528 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.804 -6.548 12.443 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.128 -8.620 13.982 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.397 -8.186 13.175 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.327 -6.909 13.802 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.616 -5.713 10.063 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.565 -5.386 9.006 1.00 0.00 C ATOM 1632 C GLN A 107 -1.882 -4.620 7.878 1.00 0.00 C ATOM 1633 O GLN A 107 -2.233 -4.774 6.709 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.725 -4.563 9.570 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.985 -4.628 8.723 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.714 -5.950 8.863 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -5.744 -6.544 9.941 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -6.309 -6.416 7.771 1.00 0.00 N ATOM 0 H GLN A 107 -1.787 -5.233 10.946 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.955 -6.320 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.955 -4.916 10.576 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.411 -3.523 9.661 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.654 -3.816 9.010 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.724 -4.471 7.677 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.258 -5.890 6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.817 -7.300 7.805 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.905 -3.794 8.238 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.173 -3.003 7.256 1.00 0.00 C ATOM 1649 C VAL A 108 0.827 -3.864 6.493 1.00 0.00 C ATOM 1650 O VAL A 108 1.235 -3.523 5.383 1.00 0.00 O ATOM 1651 CB VAL A 108 0.577 -1.835 7.923 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.414 -1.083 6.899 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.403 -0.898 8.613 1.00 0.00 C ATOM 0 H VAL A 108 -0.602 -3.655 9.202 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.910 -2.602 6.560 1.00 0.00 H new ATOM 0 HB VAL A 108 1.249 -2.242 8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.937 -0.261 7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.142 -1.762 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.764 -0.686 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.144 -0.078 9.079 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.101 -0.497 7.879 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.955 -1.446 9.376 1.00 0.00 H new ATOM 1663 N GLN A 109 1.217 -4.983 7.095 1.00 0.00 N ATOM 1664 CA GLN A 109 2.170 -5.894 6.471 1.00 0.00 C ATOM 1665 C GLN A 109 1.494 -6.733 5.392 1.00 0.00 C ATOM 1666 O GLN A 109 1.967 -6.802 4.257 1.00 0.00 O ATOM 1667 CB GLN A 109 2.799 -6.807 7.524 1.00 0.00 C ATOM 1668 CG GLN A 109 3.842 -7.758 6.960 1.00 0.00 C ATOM 1669 CD GLN A 109 5.243 -7.180 7.003 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.431 -5.967 6.891 1.00 0.00 O ATOM 1671 NE2 GLN A 109 6.237 -8.045 7.167 1.00 0.00 N ATOM 0 H GLN A 109 0.888 -5.281 8.014 1.00 0.00 H new ATOM 0 HA GLN A 109 2.953 -5.297 6.004 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.260 -6.192 8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.012 -7.388 8.006 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.820 -8.691 7.524 1.00 0.00 H new ATOM 0 HG3 GLN A 109 3.585 -8.003 5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.037 -9.041 7.256 1.00 0.00 H new ATOM 0 HE22 GLN A 109 7.201 -7.713 7.204 1.00 0.00 H new ATOM 1680 N VAL A 110 0.385 -7.371 5.752 1.00 0.00 N ATOM 1681 CA VAL A 110 -0.357 -8.204 4.814 1.00 0.00 C ATOM 1682 C VAL A 110 -0.778 -7.408 3.584 1.00 0.00 C ATOM 1683 O VAL A 110 -0.911 -7.958 2.491 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.610 -8.812 5.473 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -1.217 -9.809 6.552 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.495 -7.716 6.046 1.00 0.00 C ATOM 0 H VAL A 110 -0.019 -7.327 6.687 1.00 0.00 H new ATOM 0 HA VAL A 110 0.311 -9.009 4.509 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.177 -9.345 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.116 -10.227 7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.627 -10.611 6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.626 -9.304 7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.375 -8.163 6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.938 -7.154 6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.806 -7.044 5.246 1.00 0.00 H new ATOM 1696 N SER A 111 -0.987 -6.109 3.771 1.00 0.00 N ATOM 1697 CA SER A 111 -1.396 -5.236 2.676 1.00 0.00 C ATOM 1698 C SER A 111 -0.310 -5.158 1.608 1.00 0.00 C ATOM 1699 O SER A 111 -0.588 -5.285 0.414 1.00 0.00 O ATOM 1700 CB SER A 111 -1.709 -3.835 3.204 1.00 0.00 C ATOM 1701 OG SER A 111 -2.529 -3.119 2.296 1.00 0.00 O ATOM 0 H SER A 111 -0.880 -5.638 4.669 1.00 0.00 H new ATOM 0 HA SER A 111 -2.295 -5.657 2.225 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.210 -3.910 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.780 -3.289 3.368 1.00 0.00 H new ATOM 0 HG SER A 111 -3.323 -3.652 2.081 1.00 0.00 H new ATOM 1707 N LEU A 112 0.926 -4.948 2.044 1.00 0.00 N ATOM 1708 CA LEU A 112 2.056 -4.854 1.127 1.00 0.00 C ATOM 1709 C LEU A 112 2.370 -6.212 0.507 1.00 0.00 C ATOM 1710 O LEU A 112 2.658 -6.310 -0.686 1.00 0.00 O ATOM 1711 CB LEU A 112 3.288 -4.317 1.856 1.00 0.00 C ATOM 1712 CG LEU A 112 3.121 -2.965 2.551 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.396 -2.579 3.284 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.739 -1.891 1.542 1.00 0.00 C ATOM 0 H LEU A 112 1.172 -4.839 3.028 1.00 0.00 H new ATOM 0 HA LEU A 112 1.785 -4.164 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.593 -5.051 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.104 -4.235 1.138 1.00 0.00 H new ATOM 0 HG LEU A 112 2.318 -3.052 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.257 -1.614 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.628 -3.335 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.218 -2.510 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.624 -0.935 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.521 -1.807 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.798 -2.161 1.062 1.00 0.00 H new ATOM 1726 N LEU A 113 2.310 -7.257 1.325 1.00 0.00 N ATOM 1727 CA LEU A 113 2.586 -8.611 0.857 1.00 0.00 C ATOM 1728 C LEU A 113 1.561 -9.046 -0.185 1.00 0.00 C ATOM 1729 O LEU A 113 1.864 -9.841 -1.075 1.00 0.00 O ATOM 1730 CB LEU A 113 2.581 -9.589 2.033 1.00 0.00 C ATOM 1731 CG LEU A 113 3.887 -9.698 2.821 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.663 -10.451 4.123 1.00 0.00 C ATOM 1733 CD2 LEU A 113 4.959 -10.381 1.985 1.00 0.00 C ATOM 0 H LEU A 113 2.073 -7.193 2.315 1.00 0.00 H new ATOM 0 HA LEU A 113 3.572 -8.615 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.788 -9.295 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.324 -10.579 1.655 1.00 0.00 H new ATOM 0 HG LEU A 113 4.229 -8.691 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.603 -10.519 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.928 -9.920 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.297 -11.454 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.881 -10.450 2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.625 -11.382 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.139 -9.801 1.080 1.00 0.00 H new ATOM 1745 N ALA A 114 0.346 -8.519 -0.070 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.722 -8.849 -1.005 1.00 0.00 C ATOM 1747 C ALA A 114 -0.683 -7.938 -2.228 1.00 0.00 C ATOM 1748 O ALA A 114 -0.928 -8.380 -3.351 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.075 -8.752 -0.315 1.00 0.00 C ATOM 0 H ALA A 114 0.077 -7.861 0.662 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.571 -9.874 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.864 -9.001 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.107 -9.449 0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.224 -7.737 0.052 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.375 -6.666 -2.002 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.305 -5.692 -3.086 1.00 0.00 C ATOM 1757 C LEU A 115 0.832 -6.027 -4.046 1.00 0.00 C ATOM 1758 O LEU A 115 0.724 -5.806 -5.251 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.112 -4.284 -2.521 1.00 0.00 C ATOM 1760 CG LEU A 115 0.459 -3.245 -3.487 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.659 -2.562 -4.258 1.00 0.00 C ATOM 1762 CD2 LEU A 115 1.295 -2.219 -2.735 1.00 0.00 C ATOM 0 H LEU A 115 -0.170 -6.285 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.245 -5.730 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.075 -3.924 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.549 -4.349 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 115 1.105 -3.757 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.234 -1.826 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.215 -3.306 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.331 -2.063 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.693 -1.488 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.672 -1.712 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.119 -2.722 -2.229 1.00 0.00 H new ATOM 1774 N ALA A 116 1.919 -6.565 -3.503 1.00 0.00 N ATOM 1775 CA ALA A 116 3.074 -6.935 -4.312 1.00 0.00 C ATOM 1776 C ALA A 116 2.729 -8.066 -5.275 1.00 0.00 C ATOM 1777 O ALA A 116 3.029 -7.994 -6.466 1.00 0.00 O ATOM 1778 CB ALA A 116 4.237 -7.337 -3.419 1.00 0.00 C ATOM 0 H ALA A 116 2.024 -6.754 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 116 3.367 -6.066 -4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.092 -7.611 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.507 -6.500 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.946 -8.189 -2.804 1.00 0.00 H new ATOM 1784 N GLY A 117 2.097 -9.112 -4.750 1.00 0.00 N ATOM 1785 CA GLY A 117 1.724 -10.245 -5.578 1.00 0.00 C ATOM 1786 C GLY A 117 1.137 -9.821 -6.910 1.00 0.00 C ATOM 1787 O GLY A 117 1.529 -10.331 -7.961 1.00 0.00 O ATOM 0 H GLY A 117 1.837 -9.195 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.601 -10.868 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 117 0.999 -10.859 -5.044 1.00 0.00 H new ATOM 1791 N LYS A 118 0.193 -8.887 -6.869 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.449 -8.393 -8.081 1.00 0.00 C ATOM 1793 C LYS A 118 0.461 -7.418 -8.822 1.00 0.00 C ATOM 1794 O LYS A 118 0.589 -7.482 -10.044 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.776 -7.711 -7.739 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.507 -7.160 -8.951 1.00 0.00 C ATOM 1797 CD LYS A 118 -3.410 -5.996 -8.576 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.725 -6.478 -7.984 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.632 -7.034 -9.028 1.00 0.00 N ATOM 0 H LYS A 118 -0.145 -8.456 -6.008 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.643 -9.246 -8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.422 -8.426 -7.230 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.587 -6.898 -7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.782 -6.834 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.102 -7.950 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.899 -5.355 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.608 -5.389 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.527 -7.241 -7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.220 -5.650 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.588 -7.147 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.667 -6.384 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -5.275 -7.960 -9.341 1.00 0.00 H new ATOM 1813 N ALA A 119 1.090 -6.519 -8.073 1.00 0.00 N ATOM 1814 CA ALA A 119 1.991 -5.533 -8.658 1.00 0.00 C ATOM 1815 C ALA A 119 3.105 -6.209 -9.448 1.00 0.00 C ATOM 1816 O ALA A 119 3.692 -5.612 -10.351 1.00 0.00 O ATOM 1817 CB ALA A 119 2.575 -4.642 -7.573 1.00 0.00 C ATOM 0 H ALA A 119 0.993 -6.453 -7.060 1.00 0.00 H new ATOM 0 HA ALA A 119 1.416 -4.915 -9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.246 -3.911 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.768 -4.123 -7.055 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.130 -5.252 -6.861 1.00 0.00 H new