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 83 MET CE :methyl 148:sc= -1.61 (180deg=-2.04) USER MOD Set 1.2: A 111 SER OG : rot 50:sc= 0.56 USER MOD Set 2.1: A 64 ASN : amide:sc= -1.92 X(o=-2.1,f=-1.7) USER MOD Set 2.2: A 71 HIS : no HD1:sc= -0.143 X(o=-2.1,f=-1.9) USER MOD Set 3.1: A 43 LYS NZ :NH3+ -145:sc= 1.15 (180deg=0) USER MOD Set 3.2: A 72 GLN : amide:sc= -0.356 K(o=0.79,f=-13!) 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 103:sc= 1.29 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.347 K(o=-0.35,f=-2.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 49 CYS SG : rot 180:sc= -0.234 USER MOD Single : A 50 THR OG1 : rot -4:sc= 0.711 USER MOD Single : A 52 MET CE :methyl -113:sc= -0.544 (180deg=-3.55!) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.0509 F(o=-1,f=0.051) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -78:sc= 1.25 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.5) USER MOD Single : A 69 ASN : amide:sc= -0.325 K(o=-0.32,f=-2.4!) USER MOD Single : A 75 ASN : amide:sc= 0.893 K(o=0.89,f=-5.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.8 X(o=-0.8,f=-0.54) 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 0:sc= 0 USER MOD Single : A 88 MET CE :methyl 135:sc= -0.63 (180deg=-1.22) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 97 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.6!) USER MOD Single : A 102 SER OG : rot 180:sc=-0.00152 USER MOD Single : A 104 ASN : amide:sc= -1.93 K(o=-1.9,f=-2.9!) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.34 (180deg=-2.89!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.0609 X(o=-0.061,f=-0.066) USER MOD Single : A 109 GLN :FLIP amide:sc= -1.49 F(o=-2.8!,f=-1.5) USER MOD Single : A 118 LYS NZ :NH3+ -170:sc=-0.000749 (180deg=-0.0879) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.137 -11.720 9.593 1.00 0.00 N ATOM 197 CA ASP A 15 6.293 -12.576 9.347 1.00 0.00 C ATOM 198 C ASP A 15 7.582 -11.761 9.357 1.00 0.00 C ATOM 199 O ASP A 15 7.719 -10.759 8.656 1.00 0.00 O ATOM 200 CB ASP A 15 6.142 -13.299 8.008 1.00 0.00 C ATOM 201 CG ASP A 15 6.852 -14.638 7.991 1.00 0.00 C ATOM 202 OD1 ASP A 15 6.298 -15.610 8.546 1.00 0.00 O ATOM 203 OD2 ASP A 15 7.963 -14.715 7.424 1.00 0.00 O ATOM 0 HA ASP A 15 6.345 -13.315 10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.083 -13.450 7.797 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.540 -12.670 7.212 1.00 0.00 H new ATOM 208 N PRO A 16 8.553 -12.200 10.173 1.00 0.00 N ATOM 209 CA PRO A 16 9.849 -11.526 10.295 1.00 0.00 C ATOM 210 C PRO A 16 10.701 -11.677 9.039 1.00 0.00 C ATOM 211 O PRO A 16 11.707 -10.987 8.875 1.00 0.00 O ATOM 212 CB PRO A 16 10.509 -12.239 11.477 1.00 0.00 C ATOM 213 CG PRO A 16 9.872 -13.586 11.512 1.00 0.00 C ATOM 214 CD PRO A 16 8.460 -13.389 11.038 1.00 0.00 C ATOM 0 HA PRO A 16 9.738 -10.451 10.436 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.588 -12.315 11.341 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.342 -11.698 12.409 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.405 -14.286 10.869 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.891 -14.000 12.520 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.095 -14.257 10.489 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.775 -13.228 11.871 1.00 0.00 H new ATOM 222 N GLN A 17 10.291 -12.582 8.157 1.00 0.00 N ATOM 223 CA GLN A 17 11.019 -12.822 6.915 1.00 0.00 C ATOM 224 C GLN A 17 10.437 -11.993 5.775 1.00 0.00 C ATOM 225 O GLN A 17 11.156 -11.255 5.101 1.00 0.00 O ATOM 226 CB GLN A 17 10.977 -14.308 6.555 1.00 0.00 C ATOM 227 CG GLN A 17 11.601 -15.208 7.610 1.00 0.00 C ATOM 228 CD GLN A 17 12.184 -16.478 7.023 1.00 0.00 C ATOM 229 OE1 GLN A 17 11.526 -17.178 6.252 1.00 0.00 O ATOM 230 NE2 GLN A 17 13.424 -16.784 7.387 1.00 0.00 N ATOM 0 H GLN A 17 9.460 -13.161 8.278 1.00 0.00 H new ATOM 0 HA GLN A 17 12.056 -12.521 7.066 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.940 -14.607 6.402 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.495 -14.459 5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.386 -14.660 8.132 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.847 -15.468 8.352 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.932 -16.175 8.028 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.868 -17.628 7.025 1.00 0.00 H new ATOM 239 N LYS A 18 9.131 -12.121 5.563 1.00 0.00 N ATOM 240 CA LYS A 18 8.452 -11.384 4.504 1.00 0.00 C ATOM 241 C LYS A 18 8.751 -9.892 4.603 1.00 0.00 C ATOM 242 O LYS A 18 9.062 -9.245 3.603 1.00 0.00 O ATOM 243 CB LYS A 18 6.942 -11.618 4.580 1.00 0.00 C ATOM 244 CG LYS A 18 6.550 -13.086 4.520 1.00 0.00 C ATOM 245 CD LYS A 18 6.405 -13.565 3.085 1.00 0.00 C ATOM 246 CE LYS A 18 5.386 -14.688 2.974 1.00 0.00 C ATOM 247 NZ LYS A 18 6.019 -16.028 3.125 1.00 0.00 N ATOM 0 H LYS A 18 8.522 -12.729 6.111 1.00 0.00 H new ATOM 0 HA LYS A 18 8.822 -11.749 3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.562 -11.187 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.459 -11.088 3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.303 -13.686 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.610 -13.235 5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.101 -12.732 2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.371 -13.910 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.620 -14.560 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.885 -14.630 2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.292 -16.767 3.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.733 -16.161 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.475 -16.093 4.057 1.00 0.00 H new ATOM 261 N GLU A 19 8.656 -9.352 5.814 1.00 0.00 N ATOM 262 CA GLU A 19 8.918 -7.936 6.041 1.00 0.00 C ATOM 263 C GLU A 19 10.070 -7.448 5.168 1.00 0.00 C ATOM 264 O GLU A 19 9.986 -6.388 4.547 1.00 0.00 O ATOM 265 CB GLU A 19 9.238 -7.683 7.516 1.00 0.00 C ATOM 266 CG GLU A 19 9.467 -6.218 7.847 1.00 0.00 C ATOM 267 CD GLU A 19 10.858 -5.745 7.473 1.00 0.00 C ATOM 268 OE1 GLU A 19 11.821 -6.513 7.677 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.983 -4.606 6.975 1.00 0.00 O ATOM 0 H GLU A 19 8.400 -9.874 6.652 1.00 0.00 H new ATOM 0 HA GLU A 19 8.020 -7.380 5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.418 -8.061 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.127 -8.252 7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.728 -5.611 7.323 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.309 -6.062 8.914 1.00 0.00 H new ATOM 276 N ALA A 20 11.144 -8.229 5.126 1.00 0.00 N ATOM 277 CA ALA A 20 12.313 -7.878 4.329 1.00 0.00 C ATOM 278 C ALA A 20 11.989 -7.908 2.839 1.00 0.00 C ATOM 279 O ALA A 20 12.416 -7.035 2.085 1.00 0.00 O ATOM 280 CB ALA A 20 13.466 -8.820 4.640 1.00 0.00 C ATOM 0 H ALA A 20 11.229 -9.109 5.635 1.00 0.00 H new ATOM 0 HA ALA A 20 12.609 -6.862 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.332 -8.546 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.721 -8.746 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.172 -9.844 4.408 1.00 0.00 H new ATOM 286 N GLU A 21 11.234 -8.920 2.422 1.00 0.00 N ATOM 287 CA GLU A 21 10.856 -9.064 1.021 1.00 0.00 C ATOM 288 C GLU A 21 10.146 -7.810 0.518 1.00 0.00 C ATOM 289 O GLU A 21 10.339 -7.390 -0.625 1.00 0.00 O ATOM 290 CB GLU A 21 9.951 -10.284 0.837 1.00 0.00 C ATOM 291 CG GLU A 21 10.610 -11.595 1.233 1.00 0.00 C ATOM 292 CD GLU A 21 10.065 -12.779 0.457 1.00 0.00 C ATOM 293 OE1 GLU A 21 8.836 -13.000 0.499 1.00 0.00 O ATOM 294 OE2 GLU A 21 10.866 -13.484 -0.191 1.00 0.00 O ATOM 0 H GLU A 21 10.872 -9.652 3.034 1.00 0.00 H new ATOM 0 HA GLU A 21 11.766 -9.204 0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.047 -10.148 1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.642 -10.343 -0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.685 -11.521 1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.461 -11.765 2.299 1.00 0.00 H new ATOM 301 N LEU A 22 9.326 -7.216 1.378 1.00 0.00 N ATOM 302 CA LEU A 22 8.587 -6.010 1.021 1.00 0.00 C ATOM 303 C LEU A 22 9.537 -4.842 0.775 1.00 0.00 C ATOM 304 O LEU A 22 9.658 -4.354 -0.349 1.00 0.00 O ATOM 305 CB LEU A 22 7.595 -5.651 2.128 1.00 0.00 C ATOM 306 CG LEU A 22 6.419 -6.611 2.314 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.563 -6.184 3.496 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.583 -6.682 1.045 1.00 0.00 C ATOM 0 H LEU A 22 9.156 -7.550 2.327 1.00 0.00 H new ATOM 0 HA LEU A 22 8.039 -6.208 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.140 -5.589 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.198 -4.657 1.924 1.00 0.00 H new ATOM 0 HG LEU A 22 6.815 -7.605 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.731 -6.879 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.168 -6.186 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.175 -5.180 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.751 -7.370 1.196 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.196 -5.691 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.202 -7.037 0.221 1.00 0.00 H new ATOM 320 N ARG A 23 10.209 -4.399 1.833 1.00 0.00 N ATOM 321 CA ARG A 23 11.149 -3.290 1.731 1.00 0.00 C ATOM 322 C ARG A 23 12.092 -3.482 0.547 1.00 0.00 C ATOM 323 O ARG A 23 12.454 -2.523 -0.135 1.00 0.00 O ATOM 324 CB ARG A 23 11.956 -3.158 3.023 1.00 0.00 C ATOM 325 CG ARG A 23 12.760 -4.400 3.370 1.00 0.00 C ATOM 326 CD ARG A 23 13.698 -4.149 4.539 1.00 0.00 C ATOM 327 NE ARG A 23 14.794 -5.114 4.580 1.00 0.00 N ATOM 328 CZ ARG A 23 15.897 -4.943 5.299 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.050 -3.851 6.035 1.00 0.00 N ATOM 330 NH2 ARG A 23 16.850 -5.867 5.285 1.00 0.00 N ATOM 0 H ARG A 23 10.120 -4.791 2.770 1.00 0.00 H new ATOM 0 HA ARG A 23 10.577 -2.376 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.635 -2.310 2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.276 -2.935 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.081 -5.217 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.337 -4.716 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.106 -3.141 4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.136 -4.199 5.472 1.00 0.00 H new ATOM 0 HE ARG A 23 14.707 -5.966 4.026 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.319 -3.140 6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.898 -3.722 6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.735 -6.709 4.721 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.697 -5.735 5.838 1.00 0.00 H new ATOM 344 N THR A 24 12.487 -4.729 0.309 1.00 0.00 N ATOM 345 CA THR A 24 13.389 -5.047 -0.791 1.00 0.00 C ATOM 346 C THR A 24 12.690 -4.892 -2.138 1.00 0.00 C ATOM 347 O THR A 24 13.326 -4.575 -3.144 1.00 0.00 O ATOM 348 CB THR A 24 13.935 -6.483 -0.672 1.00 0.00 C ATOM 349 OG1 THR A 24 14.520 -6.678 0.620 1.00 0.00 O ATOM 350 CG2 THR A 24 14.971 -6.758 -1.750 1.00 0.00 C ATOM 0 H THR A 24 12.197 -5.535 0.863 1.00 0.00 H new ATOM 0 HA THR A 24 14.220 -4.344 -0.732 1.00 0.00 H new ATOM 0 HB THR A 24 13.105 -7.177 -0.803 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.902 -7.186 1.186 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.342 -7.778 -1.646 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.515 -6.636 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.800 -6.058 -1.645 1.00 0.00 H new ATOM 358 N TRP A 25 11.381 -5.114 -2.149 1.00 0.00 N ATOM 359 CA TRP A 25 10.597 -4.998 -3.373 1.00 0.00 C ATOM 360 C TRP A 25 10.202 -3.548 -3.631 1.00 0.00 C ATOM 361 O TRP A 25 10.079 -3.124 -4.779 1.00 0.00 O ATOM 362 CB TRP A 25 9.345 -5.872 -3.286 1.00 0.00 C ATOM 363 CG TRP A 25 8.268 -5.465 -4.245 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.307 -5.555 -5.607 1.00 0.00 C ATOM 365 CD2 TRP A 25 6.994 -4.902 -3.915 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.133 -5.082 -6.144 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.311 -4.675 -5.126 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.363 -4.569 -2.714 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.031 -4.131 -5.169 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.091 -4.027 -2.757 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.436 -3.814 -3.977 1.00 0.00 C ATOM 0 H TRP A 25 10.840 -5.375 -1.325 1.00 0.00 H new ATOM 0 HA TRP A 25 11.214 -5.341 -4.204 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.620 -6.909 -3.479 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.952 -5.830 -2.270 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.138 -5.941 -6.179 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.910 -5.041 -7.139 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.859 -4.732 -1.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.525 -3.965 -6.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.595 -3.764 -1.835 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.442 -3.391 -3.977 1.00 0.00 H new ATOM 382 N ILE A 26 10.006 -2.793 -2.555 1.00 0.00 N ATOM 383 CA ILE A 26 9.626 -1.389 -2.667 1.00 0.00 C ATOM 384 C ILE A 26 10.848 -0.506 -2.893 1.00 0.00 C ATOM 385 O ILE A 26 10.881 0.298 -3.823 1.00 0.00 O ATOM 386 CB ILE A 26 8.883 -0.906 -1.407 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.752 -1.873 -1.052 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.339 0.499 -1.621 1.00 0.00 C ATOM 389 CD1 ILE A 26 7.126 -1.602 0.297 1.00 0.00 C ATOM 0 H ILE A 26 10.104 -3.129 -1.597 1.00 0.00 H new ATOM 0 HA ILE A 26 8.959 -1.309 -3.526 1.00 0.00 H new ATOM 0 HB ILE A 26 9.587 -0.880 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.980 -1.814 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.139 -2.892 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.816 0.828 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.164 1.180 -1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.647 0.497 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.332 -2.326 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.885 -1.689 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.709 -0.595 0.309 1.00 0.00 H new ATOM 401 N GLU A 27 11.853 -0.663 -2.036 1.00 0.00 N ATOM 402 CA GLU A 27 13.078 0.120 -2.144 1.00 0.00 C ATOM 403 C GLU A 27 13.554 0.188 -3.592 1.00 0.00 C ATOM 404 O GLU A 27 14.092 1.203 -4.034 1.00 0.00 O ATOM 405 CB GLU A 27 14.174 -0.483 -1.263 1.00 0.00 C ATOM 406 CG GLU A 27 14.021 -0.150 0.212 1.00 0.00 C ATOM 407 CD GLU A 27 14.940 -0.972 1.093 1.00 0.00 C ATOM 408 OE1 GLU A 27 16.064 -1.287 0.648 1.00 0.00 O ATOM 409 OE2 GLU A 27 14.537 -1.301 2.229 1.00 0.00 O ATOM 0 H GLU A 27 11.842 -1.325 -1.260 1.00 0.00 H new ATOM 0 HA GLU A 27 12.863 1.133 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.171 -1.566 -1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.144 -0.126 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.228 0.909 0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.987 -0.319 0.514 1.00 0.00 H new ATOM 416 N GLY A 28 13.353 -0.901 -4.328 1.00 0.00 N ATOM 417 CA GLY A 28 13.768 -0.946 -5.718 1.00 0.00 C ATOM 418 C GLY A 28 12.746 -0.324 -6.648 1.00 0.00 C ATOM 419 O GLY A 28 13.101 0.259 -7.674 1.00 0.00 O ATOM 0 H GLY A 28 12.910 -1.754 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.719 -0.425 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.937 -1.982 -6.010 1.00 0.00 H new ATOM 423 N LEU A 29 11.471 -0.446 -6.291 1.00 0.00 N ATOM 424 CA LEU A 29 10.393 0.108 -7.103 1.00 0.00 C ATOM 425 C LEU A 29 10.474 1.630 -7.150 1.00 0.00 C ATOM 426 O LEU A 29 10.631 2.222 -8.219 1.00 0.00 O ATOM 427 CB LEU A 29 9.036 -0.326 -6.547 1.00 0.00 C ATOM 428 CG LEU A 29 8.465 -1.629 -7.107 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.462 -2.233 -6.137 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.820 -1.388 -8.464 1.00 0.00 C ATOM 0 H LEU A 29 11.159 -0.923 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 29 10.502 -0.274 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.125 -0.427 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.317 0.472 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 29 9.284 -2.336 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.066 -3.160 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.955 -2.443 -5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.645 -1.530 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.419 -2.326 -8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.012 -0.664 -8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.566 -1.001 -9.158 1.00 0.00 H new ATOM 442 N THR A 30 10.368 2.260 -5.983 1.00 0.00 N ATOM 443 CA THR A 30 10.431 3.713 -5.891 1.00 0.00 C ATOM 444 C THR A 30 11.873 4.205 -5.926 1.00 0.00 C ATOM 445 O THR A 30 12.152 5.306 -6.396 1.00 0.00 O ATOM 446 CB THR A 30 9.757 4.223 -4.604 1.00 0.00 C ATOM 447 OG1 THR A 30 10.544 3.864 -3.463 1.00 0.00 O ATOM 448 CG2 THR A 30 8.356 3.647 -4.461 1.00 0.00 C ATOM 0 H THR A 30 10.238 1.786 -5.089 1.00 0.00 H new ATOM 0 HA THR A 30 9.895 4.108 -6.754 1.00 0.00 H new ATOM 0 HB THR A 30 9.682 5.309 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.109 4.194 -2.649 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.900 4.022 -3.544 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.750 3.947 -5.316 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.412 2.559 -4.420 1.00 0.00 H new ATOM 456 N GLY A 31 12.787 3.380 -5.425 1.00 0.00 N ATOM 457 CA GLY A 31 14.190 3.749 -5.409 1.00 0.00 C ATOM 458 C GLY A 31 14.544 4.629 -4.227 1.00 0.00 C ATOM 459 O GLY A 31 15.569 5.314 -4.239 1.00 0.00 O ATOM 0 H GLY A 31 12.581 2.463 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.800 2.846 -5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.436 4.271 -6.334 1.00 0.00 H new ATOM 463 N LEU A 32 13.697 4.612 -3.204 1.00 0.00 N ATOM 464 CA LEU A 32 13.925 5.417 -2.009 1.00 0.00 C ATOM 465 C LEU A 32 14.489 4.563 -0.877 1.00 0.00 C ATOM 466 O LEU A 32 14.747 3.372 -1.055 1.00 0.00 O ATOM 467 CB LEU A 32 12.623 6.081 -1.561 1.00 0.00 C ATOM 468 CG LEU A 32 11.968 7.024 -2.571 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.516 7.279 -2.199 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.737 8.334 -2.652 1.00 0.00 C ATOM 0 H LEU A 32 12.846 4.050 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 32 14.653 6.190 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.908 5.298 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.820 6.640 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 32 11.992 6.549 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.066 7.952 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.971 6.335 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.468 7.733 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.257 8.993 -3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.744 8.813 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.762 8.136 -2.966 1.00 0.00 H new ATOM 482 N SER A 33 14.677 5.179 0.286 1.00 0.00 N ATOM 483 CA SER A 33 15.211 4.475 1.446 1.00 0.00 C ATOM 484 C SER A 33 14.285 4.629 2.649 1.00 0.00 C ATOM 485 O SER A 33 13.979 5.745 3.072 1.00 0.00 O ATOM 486 CB SER A 33 16.605 5.004 1.791 1.00 0.00 C ATOM 487 OG SER A 33 17.499 4.828 0.705 1.00 0.00 O ATOM 0 H SER A 33 14.467 6.164 0.450 1.00 0.00 H new ATOM 0 HA SER A 33 15.282 3.416 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.543 6.062 2.048 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.988 4.484 2.669 1.00 0.00 H new ATOM 0 HG SER A 33 18.382 5.175 0.949 1.00 0.00 H new ATOM 493 N ILE A 34 13.842 3.502 3.194 1.00 0.00 N ATOM 494 CA ILE A 34 12.952 3.510 4.348 1.00 0.00 C ATOM 495 C ILE A 34 13.694 3.931 5.612 1.00 0.00 C ATOM 496 O ILE A 34 13.157 4.657 6.447 1.00 0.00 O ATOM 497 CB ILE A 34 12.314 2.127 4.578 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.571 1.669 3.321 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.371 2.169 5.771 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.536 0.166 3.153 1.00 0.00 C ATOM 0 H ILE A 34 14.085 2.571 2.855 1.00 0.00 H new ATOM 0 HA ILE A 34 12.165 4.233 4.133 1.00 0.00 H new ATOM 0 HB ILE A 34 13.106 1.409 4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.549 2.046 3.355 1.00 0.00 H new ATOM 0 HG13 ILE A 34 12.046 2.113 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.929 1.184 5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.926 2.456 6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.581 2.897 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.994 -0.086 2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.555 -0.216 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.035 -0.284 4.010 1.00 0.00 H new ATOM 512 N GLY A 35 14.934 3.470 5.744 1.00 0.00 N ATOM 513 CA GLY A 35 15.732 3.811 6.908 1.00 0.00 C ATOM 514 C GLY A 35 15.836 2.665 7.895 1.00 0.00 C ATOM 515 O GLY A 35 15.326 1.569 7.662 1.00 0.00 O ATOM 0 H GLY A 35 15.400 2.867 5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.732 4.102 6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 35 15.293 4.676 7.405 1.00 0.00 H new ATOM 519 N PRO A 36 16.512 2.913 9.026 1.00 0.00 N ATOM 520 CA PRO A 36 16.699 1.906 10.074 1.00 0.00 C ATOM 521 C PRO A 36 15.400 1.582 10.805 1.00 0.00 C ATOM 522 O PRO A 36 15.377 0.745 11.707 1.00 0.00 O ATOM 523 CB PRO A 36 17.700 2.564 11.027 1.00 0.00 C ATOM 524 CG PRO A 36 17.512 4.028 10.818 1.00 0.00 C ATOM 525 CD PRO A 36 17.146 4.197 9.370 1.00 0.00 C ATOM 0 HA PRO A 36 17.041 0.954 9.667 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.505 2.283 12.062 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.722 2.259 10.801 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.727 4.417 11.467 1.00 0.00 H new ATOM 0 HG3 PRO A 36 18.423 4.576 11.056 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.464 5.034 9.223 1.00 0.00 H new ATOM 0 HD3 PRO A 36 18.024 4.390 8.753 1.00 0.00 H new ATOM 533 N ASP A 37 14.323 2.250 10.410 1.00 0.00 N ATOM 534 CA ASP A 37 13.019 2.032 11.027 1.00 0.00 C ATOM 535 C ASP A 37 11.944 1.818 9.966 1.00 0.00 C ATOM 536 O ASP A 37 11.627 2.726 9.198 1.00 0.00 O ATOM 537 CB ASP A 37 12.647 3.221 11.915 1.00 0.00 C ATOM 538 CG ASP A 37 13.624 3.418 13.057 1.00 0.00 C ATOM 539 OD1 ASP A 37 14.705 3.997 12.821 1.00 0.00 O ATOM 540 OD2 ASP A 37 13.307 2.996 14.189 1.00 0.00 O ATOM 0 H ASP A 37 14.326 2.947 9.665 1.00 0.00 H new ATOM 0 HA ASP A 37 13.081 1.134 11.642 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.613 4.127 11.309 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.646 3.070 12.319 1.00 0.00 H new ATOM 545 N PHE A 38 11.389 0.611 9.929 1.00 0.00 N ATOM 546 CA PHE A 38 10.351 0.277 8.961 1.00 0.00 C ATOM 547 C PHE A 38 9.056 1.022 9.272 1.00 0.00 C ATOM 548 O PHE A 38 8.631 1.891 8.511 1.00 0.00 O ATOM 549 CB PHE A 38 10.095 -1.232 8.957 1.00 0.00 C ATOM 550 CG PHE A 38 9.152 -1.677 7.876 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.590 -1.814 6.569 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.826 -1.958 8.167 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.724 -2.223 5.573 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.955 -2.368 7.175 1.00 0.00 C ATOM 555 CZ PHE A 38 7.406 -2.501 5.876 1.00 0.00 C ATOM 0 H PHE A 38 11.641 -0.152 10.558 1.00 0.00 H new ATOM 0 HA PHE A 38 10.698 0.583 7.974 1.00 0.00 H new ATOM 0 HB2 PHE A 38 11.045 -1.753 8.837 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.690 -1.526 9.925 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.620 -1.599 6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.469 -1.855 9.181 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.078 -2.325 4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.924 -2.584 7.415 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.729 -2.822 5.099 1.00 0.00 H new ATOM 565 N GLN A 39 8.436 0.676 10.395 1.00 0.00 N ATOM 566 CA GLN A 39 7.189 1.311 10.806 1.00 0.00 C ATOM 567 C GLN A 39 7.267 2.825 10.633 1.00 0.00 C ATOM 568 O GLN A 39 6.335 3.451 10.125 1.00 0.00 O ATOM 569 CB GLN A 39 6.874 0.968 12.263 1.00 0.00 C ATOM 570 CG GLN A 39 5.606 1.627 12.782 1.00 0.00 C ATOM 571 CD GLN A 39 5.862 2.997 13.378 1.00 0.00 C ATOM 572 OE1 GLN A 39 6.917 3.245 13.964 1.00 0.00 O ATOM 573 NE2 GLN A 39 4.896 3.897 13.232 1.00 0.00 N ATOM 0 H GLN A 39 8.776 -0.040 11.037 1.00 0.00 H new ATOM 0 HA GLN A 39 6.390 0.931 10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.778 -0.113 12.361 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.713 1.271 12.889 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.889 1.718 11.966 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.151 0.986 13.537 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.038 3.649 12.739 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.012 4.836 13.613 1.00 0.00 H new ATOM 582 N LYS A 40 8.382 3.407 11.058 1.00 0.00 N ATOM 583 CA LYS A 40 8.583 4.847 10.949 1.00 0.00 C ATOM 584 C LYS A 40 8.771 5.262 9.493 1.00 0.00 C ATOM 585 O LYS A 40 7.959 6.002 8.939 1.00 0.00 O ATOM 586 CB LYS A 40 9.798 5.277 11.774 1.00 0.00 C ATOM 587 CG LYS A 40 9.655 4.997 13.260 1.00 0.00 C ATOM 588 CD LYS A 40 10.920 5.358 14.020 1.00 0.00 C ATOM 589 CE LYS A 40 10.697 5.316 15.524 1.00 0.00 C ATOM 590 NZ LYS A 40 10.219 6.624 16.050 1.00 0.00 N ATOM 0 H LYS A 40 9.161 2.904 11.482 1.00 0.00 H new ATOM 0 HA LYS A 40 7.694 5.343 11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.682 4.761 11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.966 6.344 11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.815 5.566 13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.427 3.942 13.412 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.718 4.666 13.750 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.250 6.355 13.728 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.969 4.541 15.762 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.627 5.042 16.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.079 6.554 17.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.925 7.359 15.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.318 6.873 15.594 1.00 0.00 H new ATOM 604 N GLY A 41 9.846 4.780 8.878 1.00 0.00 N ATOM 605 CA GLY A 41 10.121 5.110 7.492 1.00 0.00 C ATOM 606 C GLY A 41 8.857 5.217 6.662 1.00 0.00 C ATOM 607 O GLY A 41 8.782 6.023 5.733 1.00 0.00 O ATOM 0 H GLY A 41 10.533 4.166 9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.663 6.055 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.771 4.348 7.062 1.00 0.00 H new ATOM 611 N LEU A 42 7.861 4.404 6.994 1.00 0.00 N ATOM 612 CA LEU A 42 6.594 4.409 6.272 1.00 0.00 C ATOM 613 C LEU A 42 5.556 5.257 6.998 1.00 0.00 C ATOM 614 O LEU A 42 4.725 5.916 6.371 1.00 0.00 O ATOM 615 CB LEU A 42 6.075 2.981 6.102 1.00 0.00 C ATOM 616 CG LEU A 42 7.083 1.957 5.579 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.482 0.559 5.595 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.537 2.327 4.174 1.00 0.00 C ATOM 0 H LEU A 42 7.906 3.732 7.760 1.00 0.00 H new ATOM 0 HA LEU A 42 6.767 4.845 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.702 2.634 7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.224 3.004 5.421 1.00 0.00 H new ATOM 0 HG LEU A 42 7.953 1.964 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.214 -0.156 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.206 0.293 6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.595 0.537 4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.254 1.588 3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.675 2.348 3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.007 3.310 4.191 1.00 0.00 H new ATOM 630 N LYS A 43 5.609 5.240 8.325 1.00 0.00 N ATOM 631 CA LYS A 43 4.675 6.009 9.140 1.00 0.00 C ATOM 632 C LYS A 43 4.312 7.323 8.455 1.00 0.00 C ATOM 633 O LYS A 43 3.213 7.472 7.922 1.00 0.00 O ATOM 634 CB LYS A 43 5.281 6.290 10.518 1.00 0.00 C ATOM 635 CG LYS A 43 4.492 7.299 11.334 1.00 0.00 C ATOM 636 CD LYS A 43 5.162 7.582 12.668 1.00 0.00 C ATOM 637 CE LYS A 43 4.757 8.942 13.217 1.00 0.00 C ATOM 638 NZ LYS A 43 5.668 10.024 12.750 1.00 0.00 N ATOM 0 H LYS A 43 6.290 4.701 8.860 1.00 0.00 H new ATOM 0 HA LYS A 43 3.766 5.420 9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.345 5.355 11.075 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.300 6.656 10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.394 8.227 10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.484 6.922 11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.893 6.805 13.384 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.245 7.544 12.548 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.736 9.169 12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.761 8.909 14.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.781 10.732 13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.596 9.619 12.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.264 10.478 11.906 1.00 0.00 H new ATOM 652 N ASP A 44 5.242 8.272 8.474 1.00 0.00 N ATOM 653 CA ASP A 44 5.020 9.572 7.853 1.00 0.00 C ATOM 654 C ASP A 44 4.225 9.427 6.559 1.00 0.00 C ATOM 655 O ASP A 44 3.408 10.283 6.222 1.00 0.00 O ATOM 656 CB ASP A 44 6.357 10.260 7.571 1.00 0.00 C ATOM 657 CG ASP A 44 6.181 11.629 6.941 1.00 0.00 C ATOM 658 OD1 ASP A 44 5.293 11.773 6.074 1.00 0.00 O ATOM 659 OD2 ASP A 44 6.932 12.555 7.312 1.00 0.00 O ATOM 0 H ASP A 44 6.157 8.165 8.913 1.00 0.00 H new ATOM 0 HA ASP A 44 4.443 10.185 8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.914 10.360 8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.953 9.632 6.909 1.00 0.00 H new ATOM 664 N GLY A 45 4.472 8.338 5.837 1.00 0.00 N ATOM 665 CA GLY A 45 3.772 8.102 4.588 1.00 0.00 C ATOM 666 C GLY A 45 4.396 8.848 3.424 1.00 0.00 C ATOM 667 O GLY A 45 3.690 9.424 2.595 1.00 0.00 O ATOM 0 H GLY A 45 5.144 7.615 6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.770 7.034 4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.731 8.407 4.695 1.00 0.00 H new ATOM 671 N THR A 46 5.723 8.840 3.361 1.00 0.00 N ATOM 672 CA THR A 46 6.442 9.522 2.293 1.00 0.00 C ATOM 673 C THR A 46 6.818 8.554 1.177 1.00 0.00 C ATOM 674 O THR A 46 7.026 8.961 0.033 1.00 0.00 O ATOM 675 CB THR A 46 7.721 10.201 2.821 1.00 0.00 C ATOM 676 OG1 THR A 46 8.429 9.307 3.686 1.00 0.00 O ATOM 677 CG2 THR A 46 7.384 11.480 3.571 1.00 0.00 C ATOM 0 H THR A 46 6.322 8.368 4.038 1.00 0.00 H new ATOM 0 HA THR A 46 5.771 10.285 1.898 1.00 0.00 H new ATOM 0 HB THR A 46 8.350 10.454 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.241 9.745 4.016 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.302 11.941 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.871 12.170 2.901 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.736 11.246 4.416 1.00 0.00 H new ATOM 685 N ILE A 47 6.903 7.272 1.516 1.00 0.00 N ATOM 686 CA ILE A 47 7.251 6.247 0.541 1.00 0.00 C ATOM 687 C ILE A 47 6.018 5.471 0.093 1.00 0.00 C ATOM 688 O ILE A 47 5.751 5.342 -1.102 1.00 0.00 O ATOM 689 CB ILE A 47 8.287 5.258 1.110 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.538 6.007 1.574 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.646 4.209 0.068 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.481 5.156 2.396 1.00 0.00 C ATOM 0 H ILE A 47 6.736 6.919 2.458 1.00 0.00 H new ATOM 0 HA ILE A 47 7.684 6.762 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 47 7.850 4.752 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.070 6.385 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.236 6.873 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.379 3.518 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.750 3.659 -0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.067 4.698 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.345 5.751 2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.965 4.799 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.813 4.304 1.803 1.00 0.00 H new ATOM 704 N LEU A 48 5.266 4.957 1.060 1.00 0.00 N ATOM 705 CA LEU A 48 4.057 4.194 0.767 1.00 0.00 C ATOM 706 C LEU A 48 3.277 4.832 -0.378 1.00 0.00 C ATOM 707 O LEU A 48 2.539 4.152 -1.094 1.00 0.00 O ATOM 708 CB LEU A 48 3.174 4.103 2.012 1.00 0.00 C ATOM 709 CG LEU A 48 3.616 3.098 3.077 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.636 3.087 4.239 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.749 1.707 2.474 1.00 0.00 C ATOM 0 H LEU A 48 5.472 5.055 2.054 1.00 0.00 H new ATOM 0 HA LEU A 48 4.354 3.189 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.125 5.090 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.162 3.847 1.697 1.00 0.00 H new ATOM 0 HG LEU A 48 4.592 3.403 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.967 2.366 4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.591 4.080 4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.646 2.807 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.064 1.005 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.787 1.393 2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.491 1.726 1.676 1.00 0.00 H new ATOM 723 N CYS A 49 3.445 6.139 -0.548 1.00 0.00 N ATOM 724 CA CYS A 49 2.758 6.868 -1.608 1.00 0.00 C ATOM 725 C CYS A 49 3.425 6.622 -2.958 1.00 0.00 C ATOM 726 O CYS A 49 2.766 6.254 -3.931 1.00 0.00 O ATOM 727 CB CYS A 49 2.742 8.365 -1.298 1.00 0.00 C ATOM 728 SG CYS A 49 1.528 8.847 -0.048 1.00 0.00 S ATOM 0 H CYS A 49 4.051 6.716 0.035 1.00 0.00 H new ATOM 0 HA CYS A 49 1.732 6.504 -1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.734 8.666 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.538 8.913 -2.218 1.00 0.00 H new ATOM 0 HG CYS A 49 1.592 10.131 0.147 1.00 0.00 H new ATOM 734 N THR A 50 4.737 6.828 -3.010 1.00 0.00 N ATOM 735 CA THR A 50 5.494 6.632 -4.240 1.00 0.00 C ATOM 736 C THR A 50 5.356 5.201 -4.747 1.00 0.00 C ATOM 737 O THR A 50 5.166 4.971 -5.942 1.00 0.00 O ATOM 738 CB THR A 50 6.987 6.953 -4.039 1.00 0.00 C ATOM 739 OG1 THR A 50 7.464 6.335 -2.838 1.00 0.00 O ATOM 740 CG2 THR A 50 7.212 8.456 -3.965 1.00 0.00 C ATOM 0 H THR A 50 5.298 7.131 -2.214 1.00 0.00 H new ATOM 0 HA THR A 50 5.080 7.318 -4.979 1.00 0.00 H new ATOM 0 HB THR A 50 7.538 6.560 -4.893 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.718 5.897 -2.377 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.274 8.658 -3.823 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.875 8.920 -4.892 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.649 8.867 -3.127 1.00 0.00 H new ATOM 748 N LEU A 51 5.454 4.243 -3.833 1.00 0.00 N ATOM 749 CA LEU A 51 5.340 2.833 -4.188 1.00 0.00 C ATOM 750 C LEU A 51 4.142 2.596 -5.101 1.00 0.00 C ATOM 751 O LEU A 51 4.258 1.948 -6.140 1.00 0.00 O ATOM 752 CB LEU A 51 5.211 1.977 -2.927 1.00 0.00 C ATOM 753 CG LEU A 51 4.708 0.547 -3.133 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.714 -0.260 -3.939 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.436 -0.121 -1.793 1.00 0.00 C ATOM 0 H LEU A 51 5.612 4.417 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 51 6.245 2.545 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.186 1.931 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.535 2.482 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 51 3.773 0.587 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.340 -1.275 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.859 0.208 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.665 -0.292 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.079 -1.137 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.355 -0.150 -1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.679 0.446 -1.251 1.00 0.00 H new ATOM 767 N MET A 52 2.989 3.128 -4.706 1.00 0.00 N ATOM 768 CA MET A 52 1.769 2.978 -5.492 1.00 0.00 C ATOM 769 C MET A 52 1.918 3.638 -6.859 1.00 0.00 C ATOM 770 O MET A 52 1.728 2.997 -7.891 1.00 0.00 O ATOM 771 CB MET A 52 0.579 3.584 -4.746 1.00 0.00 C ATOM 772 CG MET A 52 -0.754 2.952 -5.112 1.00 0.00 C ATOM 773 SD MET A 52 -0.819 2.418 -6.833 1.00 0.00 S ATOM 774 CE MET A 52 -1.961 1.042 -6.717 1.00 0.00 C ATOM 0 H MET A 52 2.874 3.666 -3.847 1.00 0.00 H new ATOM 0 HA MET A 52 1.591 1.913 -5.641 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.740 3.477 -3.673 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.535 4.653 -4.956 1.00 0.00 H new ATOM 0 HG2 MET A 52 -0.936 2.096 -4.463 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.554 3.668 -4.927 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.434 0.113 -6.933 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.376 0.998 -5.710 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.768 1.177 -7.437 1.00 0.00 H new ATOM 784 N ASN A 53 2.258 4.922 -6.856 1.00 0.00 N ATOM 785 CA ASN A 53 2.431 5.669 -8.097 1.00 0.00 C ATOM 786 C ASN A 53 3.169 4.833 -9.138 1.00 0.00 C ATOM 787 O ASN A 53 2.851 4.876 -10.327 1.00 0.00 O ATOM 788 CB ASN A 53 3.197 6.967 -7.834 1.00 0.00 C ATOM 789 CG ASN A 53 2.275 8.127 -7.511 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.347 8.616 -6.278 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.508 8.580 -8.362 1.00 0.00 N flip ATOM 0 H ASN A 53 2.419 5.467 -6.009 1.00 0.00 H new ATOM 0 HA ASN A 53 1.442 5.911 -8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.890 6.816 -7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.796 7.216 -8.710 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.486 8.173 -9.297 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.895 9.362 -8.131 1.00 0.00 H new ATOM 798 N LYS A 54 4.157 4.070 -8.682 1.00 0.00 N ATOM 799 CA LYS A 54 4.940 3.220 -9.572 1.00 0.00 C ATOM 800 C LYS A 54 4.044 2.230 -10.307 1.00 0.00 C ATOM 801 O LYS A 54 4.232 1.972 -11.497 1.00 0.00 O ATOM 802 CB LYS A 54 6.009 2.465 -8.778 1.00 0.00 C ATOM 803 CG LYS A 54 7.008 3.375 -8.084 1.00 0.00 C ATOM 804 CD LYS A 54 7.929 4.056 -9.082 1.00 0.00 C ATOM 805 CE LYS A 54 8.385 5.418 -8.580 1.00 0.00 C ATOM 806 NZ LYS A 54 9.684 5.825 -9.185 1.00 0.00 N ATOM 0 H LYS A 54 4.434 4.023 -7.702 1.00 0.00 H new ATOM 0 HA LYS A 54 5.426 3.859 -10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.520 1.839 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.546 1.797 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.474 4.130 -7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.601 2.794 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.799 3.425 -9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.413 4.172 -10.035 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.626 6.164 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.482 5.391 -7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.961 6.758 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.415 5.126 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.585 5.875 -10.219 1.00 0.00 H new ATOM 820 N LEU A 55 3.069 1.678 -9.593 1.00 0.00 N ATOM 821 CA LEU A 55 2.141 0.717 -10.180 1.00 0.00 C ATOM 822 C LEU A 55 1.037 1.428 -10.956 1.00 0.00 C ATOM 823 O LEU A 55 0.749 1.082 -12.101 1.00 0.00 O ATOM 824 CB LEU A 55 1.529 -0.161 -9.088 1.00 0.00 C ATOM 825 CG LEU A 55 2.494 -0.676 -8.020 1.00 0.00 C ATOM 826 CD1 LEU A 55 1.732 -1.370 -6.901 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.518 -1.620 -8.635 1.00 0.00 C ATOM 0 H LEU A 55 2.900 1.879 -8.607 1.00 0.00 H new ATOM 0 HA LEU A 55 2.699 0.088 -10.874 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.741 0.406 -8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.054 -1.019 -9.564 1.00 0.00 H new ATOM 0 HG LEU A 55 3.024 0.177 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.436 -1.730 -6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.039 -0.665 -6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.174 -2.213 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.196 -1.976 -7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.005 -2.469 -9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.087 -1.091 -9.400 1.00 0.00 H new ATOM 839 N GLN A 56 0.426 2.424 -10.324 1.00 0.00 N ATOM 840 CA GLN A 56 -0.646 3.186 -10.956 1.00 0.00 C ATOM 841 C GLN A 56 -0.340 4.679 -10.932 1.00 0.00 C ATOM 842 O GLN A 56 -0.180 5.288 -9.873 1.00 0.00 O ATOM 843 CB GLN A 56 -1.977 2.913 -10.253 1.00 0.00 C ATOM 844 CG GLN A 56 -3.036 3.969 -10.525 1.00 0.00 C ATOM 845 CD GLN A 56 -4.442 3.464 -10.270 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.155 3.082 -11.199 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.850 3.460 -9.006 1.00 0.00 N ATOM 0 H GLN A 56 0.654 2.723 -9.376 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.721 2.867 -11.996 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.354 1.941 -10.572 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.805 2.851 -9.178 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.847 4.839 -9.896 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.955 4.301 -11.560 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.226 3.785 -8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.787 3.132 -8.774 1.00 0.00 H new ATOM 856 N PRO A 57 -0.256 5.287 -12.124 1.00 0.00 N ATOM 857 CA PRO A 57 0.031 6.717 -12.267 1.00 0.00 C ATOM 858 C PRO A 57 -1.126 7.590 -11.794 1.00 0.00 C ATOM 859 O PRO A 57 -1.075 8.815 -11.898 1.00 0.00 O ATOM 860 CB PRO A 57 0.251 6.887 -13.771 1.00 0.00 C ATOM 861 CG PRO A 57 -0.515 5.772 -14.395 1.00 0.00 C ATOM 862 CD PRO A 57 -0.434 4.622 -13.427 1.00 0.00 C ATOM 0 HA PRO A 57 0.884 7.024 -11.662 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.109 7.856 -14.117 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.309 6.831 -14.025 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.551 6.061 -14.572 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.091 5.500 -15.361 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.339 4.014 -13.448 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.400 3.960 -13.658 1.00 0.00 H new ATOM 870 N GLY A 58 -2.171 6.951 -11.276 1.00 0.00 N ATOM 871 CA GLY A 58 -3.326 7.686 -10.795 1.00 0.00 C ATOM 872 C GLY A 58 -3.739 7.269 -9.399 1.00 0.00 C ATOM 873 O GLY A 58 -4.926 7.253 -9.073 1.00 0.00 O ATOM 0 H GLY A 58 -2.238 5.938 -11.181 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.102 8.753 -10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.161 7.532 -11.479 1.00 0.00 H new ATOM 877 N SER A 59 -2.758 6.927 -8.569 1.00 0.00 N ATOM 878 CA SER A 59 -3.026 6.501 -7.201 1.00 0.00 C ATOM 879 C SER A 59 -2.957 7.684 -6.241 1.00 0.00 C ATOM 880 O SER A 59 -3.943 8.027 -5.587 1.00 0.00 O ATOM 881 CB SER A 59 -2.026 5.423 -6.774 1.00 0.00 C ATOM 882 OG SER A 59 -0.785 5.589 -7.438 1.00 0.00 O ATOM 0 H SER A 59 -1.770 6.937 -8.821 1.00 0.00 H new ATOM 0 HA SER A 59 -4.033 6.086 -7.167 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.874 5.469 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.432 4.436 -6.997 1.00 0.00 H new ATOM 0 HG SER A 59 -0.858 5.254 -8.356 1.00 0.00 H new ATOM 888 N VAL A 60 -1.785 8.305 -6.160 1.00 0.00 N ATOM 889 CA VAL A 60 -1.586 9.451 -5.281 1.00 0.00 C ATOM 890 C VAL A 60 -1.205 10.695 -6.077 1.00 0.00 C ATOM 891 O VAL A 60 -0.235 10.704 -6.835 1.00 0.00 O ATOM 892 CB VAL A 60 -0.492 9.172 -4.233 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.269 10.393 -3.355 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.860 7.959 -3.391 1.00 0.00 C ATOM 0 H VAL A 60 -0.959 8.034 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.533 9.625 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 60 0.440 8.955 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.507 10.176 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.042 11.235 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.196 10.645 -2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.077 7.775 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.803 8.145 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.964 7.086 -4.036 1.00 0.00 H new ATOM 904 N PRO A 61 -1.987 11.771 -5.902 1.00 0.00 N ATOM 905 CA PRO A 61 -1.750 13.042 -6.595 1.00 0.00 C ATOM 906 C PRO A 61 -0.495 13.749 -6.096 1.00 0.00 C ATOM 907 O PRO A 61 0.362 14.146 -6.885 1.00 0.00 O ATOM 908 CB PRO A 61 -2.997 13.864 -6.261 1.00 0.00 C ATOM 909 CG PRO A 61 -3.492 13.297 -4.977 1.00 0.00 C ATOM 910 CD PRO A 61 -3.160 11.831 -5.015 1.00 0.00 C ATOM 0 HA PRO A 61 -1.589 12.901 -7.664 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.758 14.923 -6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.748 13.780 -7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.015 13.783 -4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.566 13.451 -4.871 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.933 11.444 -4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.989 11.241 -5.405 1.00 0.00 H new ATOM 918 N LYS A 62 -0.393 13.905 -4.780 1.00 0.00 N ATOM 919 CA LYS A 62 0.758 14.564 -4.174 1.00 0.00 C ATOM 920 C LYS A 62 1.104 13.929 -2.831 1.00 0.00 C ATOM 921 O LYS A 62 0.267 13.271 -2.211 1.00 0.00 O ATOM 922 CB LYS A 62 0.476 16.057 -3.986 1.00 0.00 C ATOM 923 CG LYS A 62 1.731 16.893 -3.804 1.00 0.00 C ATOM 924 CD LYS A 62 2.547 16.963 -5.084 1.00 0.00 C ATOM 925 CE LYS A 62 3.451 18.186 -5.104 1.00 0.00 C ATOM 926 NZ LYS A 62 4.697 17.968 -4.319 1.00 0.00 N ATOM 0 H LYS A 62 -1.094 13.584 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 62 1.609 14.442 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.075 16.426 -4.851 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.169 16.190 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.456 17.900 -3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.340 16.467 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.151 16.061 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.876 16.991 -5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.709 18.430 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.912 19.043 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.286 18.824 -4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.452 17.760 -3.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.225 17.167 -4.721 1.00 0.00 H new ATOM 940 N ILE A 63 2.339 14.130 -2.388 1.00 0.00 N ATOM 941 CA ILE A 63 2.794 13.579 -1.117 1.00 0.00 C ATOM 942 C ILE A 63 3.190 14.687 -0.146 1.00 0.00 C ATOM 943 O ILE A 63 3.988 15.562 -0.480 1.00 0.00 O ATOM 944 CB ILE A 63 3.991 12.630 -1.311 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.571 11.402 -2.120 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.561 12.214 0.037 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.737 10.622 -2.685 1.00 0.00 C ATOM 0 H ILE A 63 3.044 14.670 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 63 1.958 13.017 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 63 4.768 13.158 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.978 10.744 -1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.926 11.720 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.406 11.543 -0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.894 13.099 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.792 11.702 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.364 9.765 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.318 11.264 -3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.371 10.273 -1.870 1.00 0.00 H new ATOM 959 N ASN A 64 2.625 14.642 1.056 1.00 0.00 N ATOM 960 CA ASN A 64 2.920 15.641 2.076 1.00 0.00 C ATOM 961 C ASN A 64 4.266 15.362 2.739 1.00 0.00 C ATOM 962 O ASN A 64 4.424 14.375 3.456 1.00 0.00 O ATOM 963 CB ASN A 64 1.814 15.665 3.133 1.00 0.00 C ATOM 964 CG ASN A 64 0.429 15.731 2.519 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.277 16.034 1.335 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.589 15.450 3.324 1.00 0.00 N ATOM 0 H ASN A 64 1.961 13.925 1.347 1.00 0.00 H new ATOM 0 HA ASN A 64 2.969 16.615 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.890 14.773 3.755 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.960 16.524 3.788 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.544 15.480 2.968 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.416 15.204 4.299 1.00 0.00 H new ATOM 973 N ARG A 65 5.234 16.240 2.493 1.00 0.00 N ATOM 974 CA ARG A 65 6.566 16.088 3.065 1.00 0.00 C ATOM 975 C ARG A 65 6.781 17.072 4.211 1.00 0.00 C ATOM 976 O ARG A 65 7.852 17.666 4.340 1.00 0.00 O ATOM 977 CB ARG A 65 7.633 16.301 1.989 1.00 0.00 C ATOM 978 CG ARG A 65 8.031 15.025 1.265 1.00 0.00 C ATOM 979 CD ARG A 65 9.075 14.244 2.047 1.00 0.00 C ATOM 980 NE ARG A 65 10.367 14.926 2.066 1.00 0.00 N ATOM 981 CZ ARG A 65 11.311 14.687 2.970 1.00 0.00 C ATOM 982 NH1 ARG A 65 11.110 13.786 3.922 1.00 0.00 N ATOM 983 NH2 ARG A 65 12.460 15.349 2.922 1.00 0.00 N ATOM 0 H ARG A 65 5.120 17.063 1.902 1.00 0.00 H new ATOM 0 HA ARG A 65 6.652 15.075 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.263 17.022 1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.519 16.739 2.449 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.149 14.403 1.111 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.423 15.272 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.727 14.097 3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.194 13.255 1.605 1.00 0.00 H new ATOM 0 HE ARG A 65 10.555 15.624 1.346 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.229 13.274 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.837 13.605 4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.619 16.042 2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.184 15.165 3.616 1.00 0.00 H new ATOM 997 N SER A 66 5.755 17.242 5.040 1.00 0.00 N ATOM 998 CA SER A 66 5.831 18.157 6.172 1.00 0.00 C ATOM 999 C SER A 66 5.921 17.388 7.486 1.00 0.00 C ATOM 1000 O SER A 66 5.420 16.270 7.600 1.00 0.00 O ATOM 1001 CB SER A 66 4.611 19.080 6.191 1.00 0.00 C ATOM 1002 OG SER A 66 4.606 19.942 5.065 1.00 0.00 O ATOM 0 H SER A 66 4.862 16.758 4.948 1.00 0.00 H new ATOM 0 HA SER A 66 6.732 18.760 6.061 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.699 18.483 6.200 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.613 19.672 7.106 1.00 0.00 H new ATOM 0 HG SER A 66 3.816 20.520 5.099 1.00 0.00 H new ATOM 1008 N MET A 67 6.563 17.997 8.478 1.00 0.00 N ATOM 1009 CA MET A 67 6.718 17.372 9.786 1.00 0.00 C ATOM 1010 C MET A 67 5.479 17.595 10.646 1.00 0.00 C ATOM 1011 O MET A 67 5.578 18.032 11.792 1.00 0.00 O ATOM 1012 CB MET A 67 7.953 17.927 10.498 1.00 0.00 C ATOM 1013 CG MET A 67 8.486 17.015 11.591 1.00 0.00 C ATOM 1014 SD MET A 67 9.851 17.755 12.509 1.00 0.00 S ATOM 1015 CE MET A 67 11.239 17.311 11.467 1.00 0.00 C ATOM 0 H MET A 67 6.984 18.923 8.401 1.00 0.00 H new ATOM 0 HA MET A 67 6.846 16.300 9.635 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.740 18.098 9.763 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.707 18.896 10.933 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.679 16.772 12.282 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.819 16.077 11.146 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.160 17.699 11.903 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.303 16.226 11.390 1.00 0.00 H new ATOM 0 HE3 MET A 67 11.100 17.738 10.474 1.00 0.00 H new ATOM 1025 N GLN A 68 4.312 17.291 10.085 1.00 0.00 N ATOM 1026 CA GLN A 68 3.054 17.460 10.803 1.00 0.00 C ATOM 1027 C GLN A 68 2.320 16.130 10.934 1.00 0.00 C ATOM 1028 O GLN A 68 2.782 15.103 10.439 1.00 0.00 O ATOM 1029 CB GLN A 68 2.166 18.477 10.083 1.00 0.00 C ATOM 1030 CG GLN A 68 2.746 19.882 10.059 1.00 0.00 C ATOM 1031 CD GLN A 68 3.001 20.432 11.448 1.00 0.00 C ATOM 1032 OE1 GLN A 68 2.210 20.219 12.368 1.00 0.00 O ATOM 1033 NE2 GLN A 68 4.110 21.144 11.609 1.00 0.00 N ATOM 0 H GLN A 68 4.212 16.927 9.137 1.00 0.00 H new ATOM 0 HA GLN A 68 3.281 17.829 11.803 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.002 18.143 9.058 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.191 18.504 10.569 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.680 19.876 9.498 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.061 20.545 9.530 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.738 21.296 10.819 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.334 21.539 12.522 1.00 0.00 H new ATOM 1042 N ASN A 69 1.174 16.156 11.606 1.00 0.00 N ATOM 1043 CA ASN A 69 0.376 14.951 11.805 1.00 0.00 C ATOM 1044 C ASN A 69 -0.667 14.802 10.701 1.00 0.00 C ATOM 1045 O ASN A 69 -0.616 13.860 9.910 1.00 0.00 O ATOM 1046 CB ASN A 69 -0.313 14.990 13.170 1.00 0.00 C ATOM 1047 CG ASN A 69 0.649 15.324 14.294 1.00 0.00 C ATOM 1048 OD1 ASN A 69 1.863 15.374 14.093 1.00 0.00 O ATOM 1049 ND2 ASN A 69 0.110 15.557 15.486 1.00 0.00 N ATOM 0 H ASN A 69 0.777 16.998 12.022 1.00 0.00 H new ATOM 0 HA ASN A 69 1.045 14.091 11.768 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.114 15.729 13.149 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.777 14.024 13.368 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.708 15.788 16.280 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.901 15.505 15.607 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.610 15.736 10.656 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.664 15.708 9.648 1.00 0.00 C ATOM 1058 C TRP A 70 -2.093 15.385 8.272 1.00 0.00 C ATOM 1059 O TRP A 70 -2.673 14.603 7.517 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.396 17.050 9.609 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.477 18.231 9.701 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -1.834 18.852 8.667 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -2.096 18.930 10.891 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -1.077 19.894 9.144 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.221 19.965 10.505 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.410 18.785 12.244 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.658 20.846 11.424 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -1.851 19.660 13.156 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -0.984 20.680 12.743 1.00 0.00 C ATOM 0 H TRP A 70 -1.667 16.521 11.305 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.372 14.924 9.919 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.970 17.116 8.684 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.111 17.090 10.431 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.910 18.566 7.628 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.500 20.515 8.577 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.078 18.002 12.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.012 21.632 11.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.087 19.556 14.205 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.564 21.349 13.480 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.956 15.993 7.950 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.307 15.768 6.663 1.00 0.00 C ATOM 1082 C HIS A 71 0.141 14.317 6.527 1.00 0.00 C ATOM 1083 O HIS A 71 -0.215 13.636 5.566 1.00 0.00 O ATOM 1084 CB HIS A 71 0.893 16.703 6.503 1.00 0.00 C ATOM 1085 CG HIS A 71 0.531 18.057 5.974 1.00 0.00 C ATOM 1086 ND1 HIS A 71 0.918 19.231 6.585 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.186 18.420 4.885 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.455 20.257 5.895 1.00 0.00 C ATOM 1089 NE2 HIS A 71 -0.218 19.792 4.858 1.00 0.00 N ATOM 0 H HIS A 71 -0.465 16.645 8.562 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.031 15.981 5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.384 16.819 7.469 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.616 16.241 5.831 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.647 17.754 4.170 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.602 21.299 6.137 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.686 20.360 4.152 1.00 0.00 H new ATOM 1098 N GLN A 72 0.927 13.852 7.492 1.00 0.00 N ATOM 1099 CA GLN A 72 1.426 12.482 7.478 1.00 0.00 C ATOM 1100 C GLN A 72 0.282 11.489 7.301 1.00 0.00 C ATOM 1101 O GLN A 72 0.394 10.525 6.541 1.00 0.00 O ATOM 1102 CB GLN A 72 2.184 12.179 8.771 1.00 0.00 C ATOM 1103 CG GLN A 72 3.610 12.706 8.778 1.00 0.00 C ATOM 1104 CD GLN A 72 4.326 12.435 10.087 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.501 11.283 10.486 1.00 0.00 O ATOM 1106 NE2 GLN A 72 4.744 13.498 10.764 1.00 0.00 N ATOM 0 H GLN A 72 1.232 14.404 8.294 1.00 0.00 H new ATOM 0 HA GLN A 72 2.108 12.379 6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.641 12.613 9.611 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.203 11.100 8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.167 12.246 7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.597 13.780 8.591 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.578 14.435 10.396 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.231 13.378 11.652 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.819 11.729 8.006 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.983 10.854 7.926 1.00 0.00 C ATOM 1117 C LEU A 73 -2.540 10.815 6.507 1.00 0.00 C ATOM 1118 O LEU A 73 -2.677 9.746 5.913 1.00 0.00 O ATOM 1119 CB LEU A 73 -3.067 11.326 8.898 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.947 10.819 10.336 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.215 9.325 10.399 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.570 11.140 10.900 1.00 0.00 C ATOM 0 H LEU A 73 -0.929 12.521 8.639 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.669 9.847 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.060 12.416 8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.037 11.020 8.506 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.695 11.327 10.944 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.125 8.982 11.430 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.222 9.120 10.035 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.491 8.799 9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.501 10.772 11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.806 10.659 10.290 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.416 12.219 10.891 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.856 11.989 5.968 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.395 12.088 4.616 1.00 0.00 C ATOM 1136 C GLU A 74 -2.665 11.142 3.668 1.00 0.00 C ATOM 1137 O GLU A 74 -3.286 10.468 2.848 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.287 13.527 4.105 1.00 0.00 C ATOM 1139 CG GLU A 74 -4.210 13.828 2.935 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.609 13.279 3.140 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -6.163 13.466 4.243 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.149 12.664 2.198 1.00 0.00 O ATOM 0 H GLU A 74 -2.748 12.884 6.446 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.446 11.800 4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.514 14.212 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.257 13.721 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.265 14.907 2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.787 13.404 2.025 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.342 11.101 3.788 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.525 10.238 2.941 1.00 0.00 C ATOM 1151 C ASN A 75 -1.090 8.822 2.901 1.00 0.00 C ATOM 1152 O ASN A 75 -1.392 8.292 1.831 1.00 0.00 O ATOM 1153 CB ASN A 75 0.919 10.211 3.447 1.00 0.00 C ATOM 1154 CG ASN A 75 1.569 11.580 3.415 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.030 12.522 2.835 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.734 11.696 4.041 1.00 0.00 N ATOM 0 H ASN A 75 -0.813 11.654 4.462 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.540 10.644 1.929 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.936 9.827 4.467 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.502 9.521 2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.219 12.593 4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.144 10.888 4.509 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.230 8.214 4.073 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.760 6.858 4.174 1.00 0.00 C ATOM 1165 C LEU A 76 -3.178 6.785 3.618 1.00 0.00 C ATOM 1166 O LEU A 76 -3.475 5.962 2.752 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.745 6.391 5.630 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.367 6.270 6.283 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.501 5.855 7.739 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.499 5.277 5.520 1.00 0.00 C ATOM 0 H LEU A 76 -0.984 8.638 4.967 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.124 6.200 3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.344 7.085 6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.237 5.420 5.684 1.00 0.00 H new ATOM 0 HG LEU A 76 0.118 7.246 6.248 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.489 5.774 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.083 6.602 8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.006 4.891 7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.476 5.203 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.019 4.298 5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.623 5.617 4.492 1.00 0.00 H new ATOM 1182 N SER A 77 -4.051 7.653 4.122 1.00 0.00 N ATOM 1183 CA SER A 77 -5.439 7.685 3.678 1.00 0.00 C ATOM 1184 C SER A 77 -5.523 7.661 2.154 1.00 0.00 C ATOM 1185 O SER A 77 -6.414 7.036 1.581 1.00 0.00 O ATOM 1186 CB SER A 77 -6.141 8.933 4.219 1.00 0.00 C ATOM 1187 OG SER A 77 -7.549 8.782 4.184 1.00 0.00 O ATOM 0 H SER A 77 -3.821 8.343 4.838 1.00 0.00 H new ATOM 0 HA SER A 77 -5.939 6.798 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.818 9.121 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.851 9.802 3.629 1.00 0.00 H new ATOM 0 HG SER A 77 -7.974 9.592 4.536 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.587 8.347 1.506 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.554 8.406 0.049 1.00 0.00 C ATOM 1195 C ASN A 78 -4.115 7.068 -0.539 1.00 0.00 C ATOM 1196 O ASN A 78 -4.779 6.515 -1.416 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.609 9.515 -0.416 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.274 10.878 -0.418 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.397 11.033 -0.900 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.583 11.874 0.123 1.00 0.00 N ATOM 0 H ASN A 78 -3.842 8.869 1.966 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.562 8.625 -0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.735 9.541 0.235 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.251 9.287 -1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.979 12.813 0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.656 11.700 0.511 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.992 6.553 -0.051 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.463 5.281 -0.528 1.00 0.00 C ATOM 1209 C PHE A 79 -3.494 4.168 -0.364 1.00 0.00 C ATOM 1210 O PHE A 79 -3.804 3.449 -1.314 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.182 4.921 0.227 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.688 3.531 -0.056 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.425 3.127 -1.355 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.488 2.629 0.976 1.00 0.00 C ATOM 1215 CE1 PHE A 79 0.027 1.849 -1.619 1.00 0.00 C ATOM 1216 CE2 PHE A 79 -0.034 1.349 0.718 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.224 0.959 -0.581 1.00 0.00 C ATOM 0 H PHE A 79 -2.430 6.997 0.675 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.233 5.386 -1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.402 5.635 -0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.360 5.023 1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.575 3.819 -2.170 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.689 2.929 1.994 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.226 1.546 -2.636 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.119 0.655 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.579 -0.040 -0.785 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.019 4.031 0.849 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.014 3.006 1.139 1.00 0.00 C ATOM 1229 C ILE A 80 -6.092 2.968 0.061 1.00 0.00 C ATOM 1230 O ILE A 80 -6.232 1.978 -0.658 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.680 3.238 2.508 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.653 3.086 3.631 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.837 2.270 2.705 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.048 3.789 4.910 1.00 0.00 C ATOM 0 H ILE A 80 -3.772 4.617 1.647 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.488 2.051 1.158 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.074 4.254 2.537 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.508 2.026 3.839 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.694 3.478 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.297 2.446 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.577 2.423 1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.466 1.246 2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.273 3.639 5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.165 4.856 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.991 3.380 5.274 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.852 4.052 -0.047 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.918 4.146 -1.038 1.00 0.00 C ATOM 1248 C LYS A 81 -7.407 3.760 -2.423 1.00 0.00 C ATOM 1249 O LYS A 81 -8.117 3.127 -3.202 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.488 5.565 -1.071 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.410 5.876 0.094 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.853 5.519 -0.224 1.00 0.00 C ATOM 1253 CE LYS A 81 -11.167 4.080 0.154 1.00 0.00 C ATOM 1254 NZ LYS A 81 -12.633 3.816 0.162 1.00 0.00 N ATOM 0 H LYS A 81 -6.750 4.879 0.541 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.708 3.451 -0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.664 6.279 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.034 5.707 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.083 5.323 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.342 6.936 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.522 6.192 0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.039 5.666 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.680 3.405 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.754 3.865 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.806 2.825 0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.095 4.442 0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.023 3.997 -0.785 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.170 4.144 -2.721 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.564 3.834 -4.010 1.00 0.00 C ATOM 1270 C ALA A 82 -5.522 2.329 -4.250 1.00 0.00 C ATOM 1271 O ALA A 82 -5.742 1.863 -5.368 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.162 4.422 -4.088 1.00 0.00 C ATOM 0 H ALA A 82 -5.568 4.670 -2.087 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.179 4.282 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.721 4.183 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.214 5.504 -3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.546 4.000 -3.294 1.00 0.00 H new ATOM 1278 N MET A 83 -5.238 1.574 -3.194 1.00 0.00 N ATOM 1279 CA MET A 83 -5.169 0.121 -3.292 1.00 0.00 C ATOM 1280 C MET A 83 -6.519 -0.463 -3.692 1.00 0.00 C ATOM 1281 O MET A 83 -6.601 -1.318 -4.574 1.00 0.00 O ATOM 1282 CB MET A 83 -4.714 -0.480 -1.959 1.00 0.00 C ATOM 1283 CG MET A 83 -3.220 -0.354 -1.714 1.00 0.00 C ATOM 1284 SD MET A 83 -2.648 -1.401 -0.361 1.00 0.00 S ATOM 1285 CE MET A 83 -3.372 -0.562 1.046 1.00 0.00 C ATOM 0 H MET A 83 -5.052 1.944 -2.262 1.00 0.00 H new ATOM 0 HA MET A 83 -4.442 -0.132 -4.064 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.250 0.011 -1.147 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.991 -1.534 -1.932 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.683 -0.618 -2.625 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.978 0.685 -1.491 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.617 -1.291 1.818 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.660 0.162 1.444 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.279 -0.045 0.734 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.578 0.004 -3.036 1.00 0.00 N ATOM 1296 CA VAL A 84 -8.925 -0.472 -3.325 1.00 0.00 C ATOM 1297 C VAL A 84 -9.216 -0.428 -4.821 1.00 0.00 C ATOM 1298 O VAL A 84 -9.857 -1.327 -5.366 1.00 0.00 O ATOM 1299 CB VAL A 84 -9.987 0.365 -2.584 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.386 -0.135 -2.913 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.739 0.330 -1.083 1.00 0.00 C ATOM 0 H VAL A 84 -7.528 0.711 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.976 -1.504 -2.978 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.909 1.399 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.122 0.468 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.558 -0.054 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.481 -1.177 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.497 0.926 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.790 -0.700 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.752 0.739 -0.868 1.00 0.00 H new ATOM 1311 N SER A 85 -8.739 0.622 -5.481 1.00 0.00 N ATOM 1312 CA SER A 85 -8.948 0.785 -6.915 1.00 0.00 C ATOM 1313 C SER A 85 -8.121 -0.225 -7.703 1.00 0.00 C ATOM 1314 O SER A 85 -8.596 -0.810 -8.677 1.00 0.00 O ATOM 1315 CB SER A 85 -8.586 2.208 -7.346 1.00 0.00 C ATOM 1316 OG SER A 85 -9.692 3.082 -7.202 1.00 0.00 O ATOM 0 H SER A 85 -8.205 1.374 -5.045 1.00 0.00 H new ATOM 0 HA SER A 85 -10.002 0.607 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.751 2.571 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.255 2.204 -8.385 1.00 0.00 H new ATOM 0 HG SER A 85 -9.434 3.985 -7.482 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.879 -0.424 -7.276 1.00 0.00 N ATOM 1323 CA TYR A 86 -5.982 -1.362 -7.941 1.00 0.00 C ATOM 1324 C TYR A 86 -6.658 -2.715 -8.139 1.00 0.00 C ATOM 1325 O TYR A 86 -6.548 -3.329 -9.199 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.697 -1.534 -7.132 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.517 -1.994 -7.959 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -2.963 -1.171 -8.932 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.958 -3.251 -7.768 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.885 -1.587 -9.690 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.880 -3.675 -8.521 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.347 -2.839 -9.481 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.274 -3.259 -10.233 1.00 0.00 O ATOM 0 H TYR A 86 -6.470 0.052 -6.472 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.733 -0.954 -8.921 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.448 -0.586 -6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.874 -2.255 -6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.382 -0.190 -9.099 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.373 -3.908 -7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.466 -0.935 -10.442 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.457 -4.655 -8.359 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.021 -2.554 -10.865 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.358 -3.176 -7.106 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.042 -4.453 -7.184 1.00 0.00 C ATOM 1345 C GLY A 87 -7.776 -5.328 -5.975 1.00 0.00 C ATOM 1346 O GLY A 87 -7.594 -6.538 -6.104 1.00 0.00 O ATOM 0 H GLY A 87 -7.463 -2.687 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.115 -4.282 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.724 -4.977 -8.085 1.00 0.00 H new ATOM 1350 N MET A 88 -7.753 -4.714 -4.796 1.00 0.00 N ATOM 1351 CA MET A 88 -7.506 -5.446 -3.559 1.00 0.00 C ATOM 1352 C MET A 88 -8.814 -5.734 -2.829 1.00 0.00 C ATOM 1353 O MET A 88 -9.883 -5.306 -3.260 1.00 0.00 O ATOM 1354 CB MET A 88 -6.566 -4.652 -2.651 1.00 0.00 C ATOM 1355 CG MET A 88 -5.244 -4.293 -3.310 1.00 0.00 C ATOM 1356 SD MET A 88 -3.946 -3.931 -2.111 1.00 0.00 S ATOM 1357 CE MET A 88 -3.681 -5.553 -1.399 1.00 0.00 C ATOM 0 H MET A 88 -7.902 -3.713 -4.671 1.00 0.00 H new ATOM 0 HA MET A 88 -7.036 -6.396 -3.815 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.066 -3.736 -2.336 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.368 -5.233 -1.750 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.925 -5.117 -3.948 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.388 -3.427 -3.956 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.611 -5.746 -1.322 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.129 -5.592 -0.406 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.142 -6.309 -2.035 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.720 -6.463 -1.721 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.897 -6.809 -0.932 1.00 0.00 C ATOM 1369 C ASN A 89 -10.055 -5.860 0.252 1.00 0.00 C ATOM 1370 O ASN A 89 -9.103 -5.218 0.698 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.796 -8.251 -0.434 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.343 -9.249 -1.437 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -10.282 -9.027 -2.646 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -10.881 -10.355 -0.938 1.00 0.00 N ATOM 0 H ASN A 89 -7.842 -6.825 -1.350 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.774 -6.713 -1.572 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.753 -8.487 -0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.341 -8.347 0.505 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.265 -11.063 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.910 -10.497 0.072 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.286 -5.769 0.777 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.599 -4.902 1.917 1.00 0.00 C ATOM 1383 C PRO A 90 -10.978 -5.406 3.215 1.00 0.00 C ATOM 1384 O PRO A 90 -11.025 -4.727 4.242 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.127 -4.959 1.998 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.490 -6.261 1.372 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.469 -6.504 0.297 1.00 0.00 C ATOM 0 HA PRO A 90 -11.203 -3.895 1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.471 -4.907 3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.583 -4.123 1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.479 -7.064 2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.496 -6.226 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.259 -7.567 0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.808 -6.133 -0.670 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.395 -6.599 3.163 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.763 -7.193 4.335 1.00 0.00 C ATOM 1397 C VAL A 91 -8.243 -7.124 4.233 1.00 0.00 C ATOM 1398 O VAL A 91 -7.535 -7.336 5.218 1.00 0.00 O ATOM 1399 CB VAL A 91 -10.188 -8.662 4.518 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.689 -8.759 4.743 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.766 -9.492 3.315 1.00 0.00 C ATOM 0 H VAL A 91 -10.347 -7.173 2.322 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.093 -6.617 5.199 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.686 -9.061 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.971 -9.804 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.960 -8.199 5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.213 -8.344 3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.074 -10.527 3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.239 -9.096 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.682 -9.448 3.205 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.748 -6.825 3.036 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.312 -6.726 2.807 1.00 0.00 C ATOM 1413 C ASP A 92 -5.842 -5.278 2.913 1.00 0.00 C ATOM 1414 O ASP A 92 -4.781 -4.920 2.402 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.955 -7.291 1.431 1.00 0.00 C ATOM 1416 CG ASP A 92 -5.984 -8.807 1.402 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -7.095 -9.380 1.411 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -4.897 -9.421 1.369 1.00 0.00 O ATOM 0 H ASP A 92 -8.320 -6.647 2.211 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.805 -7.310 3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.654 -6.903 0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.962 -6.944 1.145 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.640 -4.451 3.579 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.308 -3.042 3.752 1.00 0.00 C ATOM 1425 C LEU A 93 -5.989 -2.733 5.211 1.00 0.00 C ATOM 1426 O LEU A 93 -6.091 -3.602 6.077 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.464 -2.162 3.273 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.875 -2.331 1.810 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.135 -1.532 1.514 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.743 -1.907 0.885 1.00 0.00 C ATOM 0 H LEU A 93 -7.522 -4.732 4.008 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.424 -2.827 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.333 -2.365 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.191 -1.119 3.435 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.087 -3.385 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.412 -1.664 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.946 -1.883 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.950 -0.476 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.054 -2.034 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.499 -0.860 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.865 -2.523 1.079 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.605 -1.489 5.476 1.00 0.00 N ATOM 1443 CA PHE A 94 -5.273 -1.064 6.831 1.00 0.00 C ATOM 1444 C PHE A 94 -5.627 0.406 7.043 1.00 0.00 C ATOM 1445 O PHE A 94 -5.689 1.183 6.091 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.785 -1.286 7.108 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.882 -0.530 6.175 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.572 -1.040 4.925 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.343 0.690 6.549 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.741 -0.346 4.066 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.512 1.389 5.694 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.212 0.870 4.450 1.00 0.00 C ATOM 0 H PHE A 94 -5.516 -0.758 4.771 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.859 -1.665 7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.566 -0.988 8.133 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.564 -2.351 7.031 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.984 -1.990 4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.575 1.100 7.521 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.505 -0.755 3.095 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.098 2.339 5.998 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.565 1.414 3.779 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.858 0.778 8.298 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.207 2.153 8.634 1.00 0.00 C ATOM 1464 C GLU A 95 -4.954 3.012 8.782 1.00 0.00 C ATOM 1465 O GLU A 95 -3.872 2.504 9.073 1.00 0.00 O ATOM 1466 CB GLU A 95 -7.021 2.194 9.929 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.499 1.896 9.728 1.00 0.00 C ATOM 1468 CD GLU A 95 -9.109 2.706 8.602 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -9.531 3.854 8.859 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.166 2.194 7.465 1.00 0.00 O ATOM 0 H GLU A 95 -5.810 0.147 9.098 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.810 2.557 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.606 1.472 10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.916 3.179 10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.626 0.834 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.037 2.104 10.653 1.00 0.00 H new ATOM 1477 N ALA A 96 -5.109 4.315 8.577 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.992 5.245 8.688 1.00 0.00 C ATOM 1479 C ALA A 96 -3.370 5.191 10.079 1.00 0.00 C ATOM 1480 O ALA A 96 -2.163 5.370 10.237 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.450 6.660 8.367 1.00 0.00 C ATOM 0 H ALA A 96 -5.998 4.751 8.333 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.231 4.949 7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.606 7.344 8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.842 6.694 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.231 6.957 9.067 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.202 4.944 11.086 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.732 4.869 12.465 1.00 0.00 C ATOM 1489 C ASN A 97 -2.907 3.605 12.689 1.00 0.00 C ATOM 1490 O ASN A 97 -1.902 3.625 13.400 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.918 4.896 13.431 1.00 0.00 C ATOM 1492 CG ASN A 97 -6.062 4.016 12.969 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -5.925 2.795 12.880 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -7.200 4.633 12.669 1.00 0.00 N ATOM 0 H ASN A 97 -5.204 4.792 10.973 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.097 5.734 12.655 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.587 4.569 14.417 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.272 5.921 13.538 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.004 4.093 12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.269 5.647 12.757 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.340 2.507 12.079 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.642 1.234 12.211 1.00 0.00 C ATOM 1503 C ASP A 98 -1.132 1.429 12.110 1.00 0.00 C ATOM 1504 O ASP A 98 -0.365 0.814 12.853 1.00 0.00 O ATOM 1505 CB ASP A 98 -3.115 0.254 11.135 1.00 0.00 C ATOM 1506 CG ASP A 98 -4.539 -0.213 11.363 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -5.287 0.490 12.075 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -4.905 -1.282 10.831 1.00 0.00 O ATOM 0 H ASP A 98 -4.171 2.473 11.488 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.872 0.822 13.193 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.044 0.731 10.157 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.451 -0.610 11.117 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.712 2.286 11.187 1.00 0.00 N ATOM 1514 CA LEU A 99 0.707 2.562 10.988 1.00 0.00 C ATOM 1515 C LEU A 99 1.147 3.770 11.808 1.00 0.00 C ATOM 1516 O LEU A 99 2.206 3.755 12.437 1.00 0.00 O ATOM 1517 CB LEU A 99 0.995 2.806 9.506 1.00 0.00 C ATOM 1518 CG LEU A 99 2.470 2.946 9.124 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.200 1.625 9.317 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.605 3.426 7.686 1.00 0.00 C ATOM 0 H LEU A 99 -1.333 2.802 10.564 1.00 0.00 H new ATOM 0 HA LEU A 99 1.272 1.693 11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.568 1.983 8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.473 3.712 9.199 1.00 0.00 H new ATOM 0 HG LEU A 99 2.926 3.689 9.779 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.247 1.744 9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.133 1.322 10.362 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.743 0.861 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.661 3.520 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.133 2.707 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.118 4.395 7.579 1.00 0.00 H new ATOM 1532 N PHE A 100 0.326 4.815 11.800 1.00 0.00 N ATOM 1533 CA PHE A 100 0.630 6.031 12.545 1.00 0.00 C ATOM 1534 C PHE A 100 0.813 5.729 14.029 1.00 0.00 C ATOM 1535 O PHE A 100 1.878 5.973 14.596 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.485 7.062 12.358 1.00 0.00 C ATOM 1537 CG PHE A 100 -0.038 8.478 12.585 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.933 9.050 11.779 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.588 9.236 13.606 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.346 10.352 11.986 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.179 10.539 13.817 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.790 11.097 13.007 1.00 0.00 C ATOM 0 H PHE A 100 -0.555 4.844 11.286 1.00 0.00 H new ATOM 0 HA PHE A 100 1.563 6.440 12.157 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.885 6.973 11.348 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.300 6.832 13.045 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.372 8.471 10.980 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.345 8.804 14.244 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.103 10.787 11.350 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.617 11.120 14.615 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.113 12.114 13.172 1.00 0.00 H new ATOM 1552 N GLU A 101 -0.234 5.196 14.652 1.00 0.00 N ATOM 1553 CA GLU A 101 -0.188 4.862 16.071 1.00 0.00 C ATOM 1554 C GLU A 101 0.148 3.386 16.271 1.00 0.00 C ATOM 1555 O GLU A 101 -0.346 2.747 17.200 1.00 0.00 O ATOM 1556 CB GLU A 101 -1.526 5.187 16.737 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.760 6.673 16.942 1.00 0.00 C ATOM 1558 CD GLU A 101 -1.118 7.195 18.214 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -0.133 6.582 18.675 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -1.603 8.214 18.749 1.00 0.00 O ATOM 0 H GLU A 101 -1.123 4.987 14.197 1.00 0.00 H new ATOM 0 HA GLU A 101 0.595 5.461 16.535 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.333 4.782 16.127 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.573 4.684 17.703 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.363 7.221 16.088 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.832 6.867 16.974 1.00 0.00 H new ATOM 1567 N SER A 102 0.990 2.852 15.393 1.00 0.00 N ATOM 1568 CA SER A 102 1.389 1.452 15.470 1.00 0.00 C ATOM 1569 C SER A 102 0.231 0.584 15.952 1.00 0.00 C ATOM 1570 O SER A 102 0.437 -0.432 16.616 1.00 0.00 O ATOM 1571 CB SER A 102 2.587 1.292 16.408 1.00 0.00 C ATOM 1572 OG SER A 102 2.248 1.657 17.735 1.00 0.00 O ATOM 0 H SER A 102 1.409 3.368 14.620 1.00 0.00 H new ATOM 0 HA SER A 102 1.674 1.125 14.470 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.932 0.258 16.389 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.413 1.911 16.057 1.00 0.00 H new ATOM 0 HG SER A 102 3.030 1.544 18.315 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.988 0.991 15.613 1.00 0.00 N ATOM 1579 CA GLY A 103 -2.161 0.240 16.020 1.00 0.00 C ATOM 1580 C GLY A 103 -2.232 -1.124 15.362 1.00 0.00 C ATOM 1581 O GLY A 103 -2.916 -2.022 15.852 1.00 0.00 O ATOM 0 H GLY A 103 -1.184 1.828 15.064 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.153 0.118 17.103 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.057 0.808 15.770 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.524 -1.281 14.249 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.511 -2.545 13.522 1.00 0.00 C ATOM 1587 C ASN A 104 -0.350 -2.594 12.534 1.00 0.00 C ATOM 1588 O ASN A 104 -0.369 -1.920 11.504 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.835 -2.745 12.780 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.844 -3.527 13.600 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -4.579 -2.958 14.407 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -3.883 -4.838 13.395 1.00 0.00 N ATOM 0 H ASN A 104 -0.951 -0.548 13.830 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.382 -3.349 14.246 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.255 -1.773 12.523 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.648 -3.269 11.843 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.541 -5.416 13.917 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.255 -5.267 12.716 1.00 0.00 H new ATOM 1599 N MET A 105 0.660 -3.396 12.855 1.00 0.00 N ATOM 1600 CA MET A 105 1.830 -3.534 11.994 1.00 0.00 C ATOM 1601 C MET A 105 1.618 -4.638 10.963 1.00 0.00 C ATOM 1602 O MET A 105 1.944 -4.474 9.786 1.00 0.00 O ATOM 1603 CB MET A 105 3.074 -3.833 12.832 1.00 0.00 C ATOM 1604 CG MET A 105 3.822 -2.587 13.276 1.00 0.00 C ATOM 1605 SD MET A 105 5.091 -2.082 12.097 1.00 0.00 S ATOM 1606 CE MET A 105 4.081 -1.418 10.776 1.00 0.00 C ATOM 0 H MET A 105 0.692 -3.960 13.704 1.00 0.00 H new ATOM 0 HA MET A 105 1.976 -2.592 11.466 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.780 -4.403 13.713 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.748 -4.465 12.254 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.112 -1.771 13.412 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.285 -2.772 14.245 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.693 -0.787 10.132 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.663 -2.237 10.191 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.271 -0.825 11.200 1.00 0.00 H new ATOM 1616 N THR A 106 1.074 -5.764 11.412 1.00 0.00 N ATOM 1617 CA THR A 106 0.821 -6.896 10.529 1.00 0.00 C ATOM 1618 C THR A 106 -0.227 -6.550 9.478 1.00 0.00 C ATOM 1619 O THR A 106 -0.092 -6.914 8.310 1.00 0.00 O ATOM 1620 CB THR A 106 0.352 -8.131 11.319 1.00 0.00 C ATOM 1621 OG1 THR A 106 0.232 -9.257 10.443 1.00 0.00 O ATOM 1622 CG2 THR A 106 -0.986 -7.865 11.995 1.00 0.00 C ATOM 0 H THR A 106 0.800 -5.917 12.383 1.00 0.00 H new ATOM 0 HA THR A 106 1.764 -7.128 10.034 1.00 0.00 H new ATOM 0 HB THR A 106 1.094 -8.346 12.088 1.00 0.00 H new ATOM 0 HG1 THR A 106 -0.065 -10.039 10.954 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.297 -8.752 12.547 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.885 -7.026 12.683 1.00 0.00 H new ATOM 0 HG23 THR A 106 -1.735 -7.627 11.239 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.271 -5.844 9.900 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.344 -5.449 8.993 1.00 0.00 C ATOM 1632 C GLN A 107 -1.799 -4.621 7.835 1.00 0.00 C ATOM 1633 O GLN A 107 -2.276 -4.726 6.705 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.411 -4.654 9.748 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.716 -4.508 8.981 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.472 -5.815 8.861 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -5.846 -6.423 9.865 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.702 -6.257 7.630 1.00 0.00 N ATOM 0 H GLN A 107 -1.397 -5.534 10.863 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.796 -6.354 8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.612 -5.144 10.701 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.020 -3.662 9.976 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.346 -3.773 9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.505 -4.122 7.984 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.374 -5.721 6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.206 -7.132 7.488 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.797 -3.796 8.123 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.187 -2.950 7.105 1.00 0.00 C ATOM 1649 C VAL A 108 0.873 -3.713 6.317 1.00 0.00 C ATOM 1650 O VAL A 108 1.121 -3.420 5.148 1.00 0.00 O ATOM 1651 CB VAL A 108 0.457 -1.697 7.728 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.208 -0.900 6.672 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.599 -0.837 8.406 1.00 0.00 C ATOM 0 H VAL A 108 -0.391 -3.696 9.053 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.986 -2.642 6.430 1.00 0.00 H new ATOM 0 HB VAL A 108 1.174 -2.017 8.485 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.656 -0.019 7.131 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.992 -1.520 6.237 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.515 -0.589 5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.127 0.044 8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.341 -0.525 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.087 -1.413 9.193 1.00 0.00 H new ATOM 1663 N GLN A 109 1.493 -4.693 6.967 1.00 0.00 N ATOM 1664 CA GLN A 109 2.525 -5.499 6.327 1.00 0.00 C ATOM 1665 C GLN A 109 1.922 -6.411 5.262 1.00 0.00 C ATOM 1666 O GLN A 109 2.379 -6.432 4.119 1.00 0.00 O ATOM 1667 CB GLN A 109 3.268 -6.335 7.370 1.00 0.00 C ATOM 1668 CG GLN A 109 4.408 -7.158 6.791 1.00 0.00 C ATOM 1669 CD GLN A 109 4.908 -8.220 7.750 1.00 0.00 C ATOM 1670 OE1 GLN A 109 6.213 -8.465 7.735 1.00 0.00 O flip ATOM 1671 NE2 GLN A 109 4.130 -8.815 8.496 1.00 0.00 N flip ATOM 0 H GLN A 109 1.299 -4.947 7.935 1.00 0.00 H new ATOM 0 HA GLN A 109 3.230 -4.823 5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.664 -5.672 8.140 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.560 -7.004 7.859 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.075 -7.635 5.869 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.232 -6.495 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 109 3.134 -8.595 8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 109 4.481 -9.528 9.135 1.00 0.00 H new ATOM 1680 N VAL A 110 0.895 -7.161 5.645 1.00 0.00 N ATOM 1681 CA VAL A 110 0.229 -8.074 4.724 1.00 0.00 C ATOM 1682 C VAL A 110 -0.291 -7.334 3.498 1.00 0.00 C ATOM 1683 O VAL A 110 -0.159 -7.810 2.370 1.00 0.00 O ATOM 1684 CB VAL A 110 -0.943 -8.804 5.406 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -0.433 -9.727 6.502 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -1.942 -7.801 5.963 1.00 0.00 C ATOM 0 H VAL A 110 0.505 -7.155 6.588 1.00 0.00 H new ATOM 0 HA VAL A 110 0.972 -8.808 4.413 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.452 -9.414 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.276 -10.234 6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 110 0.241 -10.467 6.070 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.102 -9.142 7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.764 -8.334 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.447 -7.163 6.696 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.332 -7.186 5.151 1.00 0.00 H new ATOM 1696 N SER A 111 -0.883 -6.166 3.725 1.00 0.00 N ATOM 1697 CA SER A 111 -1.427 -5.360 2.638 1.00 0.00 C ATOM 1698 C SER A 111 -0.431 -5.255 1.488 1.00 0.00 C ATOM 1699 O SER A 111 -0.783 -5.456 0.326 1.00 0.00 O ATOM 1700 CB SER A 111 -1.790 -3.962 3.144 1.00 0.00 C ATOM 1701 OG SER A 111 -2.709 -3.327 2.272 1.00 0.00 O ATOM 0 H SER A 111 -0.998 -5.756 4.652 1.00 0.00 H new ATOM 0 HA SER A 111 -2.328 -5.851 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.221 -4.034 4.142 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.887 -3.357 3.229 1.00 0.00 H new ATOM 0 HG SER A 111 -3.457 -3.933 2.088 1.00 0.00 H new ATOM 1707 N LEU A 112 0.816 -4.937 1.821 1.00 0.00 N ATOM 1708 CA LEU A 112 1.866 -4.804 0.818 1.00 0.00 C ATOM 1709 C LEU A 112 2.221 -6.162 0.218 1.00 0.00 C ATOM 1710 O LEU A 112 2.484 -6.273 -0.981 1.00 0.00 O ATOM 1711 CB LEU A 112 3.111 -4.166 1.435 1.00 0.00 C ATOM 1712 CG LEU A 112 2.916 -2.786 2.066 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.207 -2.307 2.712 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.436 -1.787 1.023 1.00 0.00 C ATOM 0 H LEU A 112 1.124 -4.767 2.778 1.00 0.00 H new ATOM 0 HA LEU A 112 1.493 -4.161 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.500 -4.840 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.875 -4.085 0.661 1.00 0.00 H new ATOM 0 HG LEU A 112 2.154 -2.866 2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.049 -1.324 3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.509 -3.011 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.990 -2.243 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.302 -0.811 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.175 -1.710 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.486 -2.123 0.607 1.00 0.00 H new ATOM 1726 N LEU A 113 2.225 -7.190 1.058 1.00 0.00 N ATOM 1727 CA LEU A 113 2.545 -8.542 0.611 1.00 0.00 C ATOM 1728 C LEU A 113 1.488 -9.058 -0.360 1.00 0.00 C ATOM 1729 O LEU A 113 1.776 -9.891 -1.220 1.00 0.00 O ATOM 1730 CB LEU A 113 2.656 -9.485 1.811 1.00 0.00 C ATOM 1731 CG LEU A 113 3.905 -9.322 2.678 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.720 -10.024 4.015 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.130 -9.862 1.955 1.00 0.00 C ATOM 0 H LEU A 113 2.010 -7.114 2.052 1.00 0.00 H new ATOM 0 HA LEU A 113 3.503 -8.510 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.779 -9.343 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.623 -10.511 1.446 1.00 0.00 H new ATOM 0 HG LEU A 113 4.058 -8.259 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.618 -9.898 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.867 -9.592 4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.542 -11.086 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.010 -9.738 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.987 -10.920 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.273 -9.315 1.023 1.00 0.00 H new ATOM 1745 N ALA A 114 0.266 -8.557 -0.219 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.832 -8.964 -1.087 1.00 0.00 C ATOM 1747 C ALA A 114 -0.886 -8.105 -2.345 1.00 0.00 C ATOM 1748 O ALA A 114 -1.276 -8.575 -3.414 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.153 -8.888 -0.336 1.00 0.00 C ATOM 0 H ALA A 114 0.011 -7.868 0.489 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.658 -9.996 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.965 -9.195 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.118 -9.550 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.324 -7.864 -0.002 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.493 -6.843 -2.211 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.496 -5.917 -3.338 1.00 0.00 C ATOM 1757 C LEU A 115 0.657 -6.213 -4.290 1.00 0.00 C ATOM 1758 O LEU A 115 0.535 -6.041 -5.502 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.403 -4.474 -2.839 1.00 0.00 C ATOM 1760 CG LEU A 115 0.146 -3.453 -3.835 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.957 -2.965 -4.762 1.00 0.00 C ATOM 1762 CD2 LEU A 115 0.786 -2.283 -3.102 1.00 0.00 C ATOM 0 H LEU A 115 -0.168 -6.438 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.433 -6.048 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.398 -4.152 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.227 -4.458 -1.949 1.00 0.00 H new ATOM 0 HG LEU A 115 0.912 -3.939 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.547 -2.239 -5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.369 -3.810 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.746 -2.496 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.171 -1.566 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.041 -1.797 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.605 -2.647 -2.481 1.00 0.00 H new ATOM 1774 N ALA A 116 1.777 -6.661 -3.733 1.00 0.00 N ATOM 1775 CA ALA A 116 2.951 -6.986 -4.532 1.00 0.00 C ATOM 1776 C ALA A 116 2.719 -8.241 -5.366 1.00 0.00 C ATOM 1777 O ALA A 116 3.227 -8.362 -6.480 1.00 0.00 O ATOM 1778 CB ALA A 116 4.168 -7.165 -3.636 1.00 0.00 C ATOM 0 H ALA A 116 1.896 -6.807 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 116 3.134 -6.156 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.037 -7.407 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.356 -6.241 -3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.984 -7.975 -2.930 1.00 0.00 H new ATOM 1784 N GLY A 117 1.947 -9.174 -4.819 1.00 0.00 N ATOM 1785 CA GLY A 117 1.660 -10.409 -5.527 1.00 0.00 C ATOM 1786 C GLY A 117 0.901 -10.174 -6.818 1.00 0.00 C ATOM 1787 O GLY A 117 0.821 -11.059 -7.670 1.00 0.00 O ATOM 0 H GLY A 117 1.515 -9.098 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.595 -10.924 -5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.078 -11.067 -4.882 1.00 0.00 H new ATOM 1791 N LYS A 118 0.338 -8.980 -6.963 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.420 -8.630 -8.159 1.00 0.00 C ATOM 1793 C LYS A 118 0.376 -7.681 -9.049 1.00 0.00 C ATOM 1794 O LYS A 118 0.297 -7.754 -10.275 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.753 -7.986 -7.771 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.572 -7.520 -8.963 1.00 0.00 C ATOM 1797 CD LYS A 118 -3.639 -6.520 -8.550 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.668 -7.155 -7.628 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.510 -8.156 -8.341 1.00 0.00 N ATOM 0 H LYS A 118 0.392 -8.237 -6.266 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.614 -9.546 -8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.339 -8.702 -7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.560 -7.135 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.913 -7.066 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.043 -8.379 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -3.171 -5.673 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.136 -6.129 -9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.159 -7.637 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.306 -6.378 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.303 -8.441 -7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.881 -7.736 -9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.935 -8.991 -8.574 1.00 0.00 H new ATOM 1813 N ALA A 119 1.143 -6.793 -8.424 1.00 0.00 N ATOM 1814 CA ALA A 119 1.955 -5.833 -9.160 1.00 0.00 C ATOM 1815 C ALA A 119 3.199 -6.498 -9.741 1.00 0.00 C ATOM 1816 O ALA A 119 3.686 -6.109 -10.803 1.00 0.00 O ATOM 1817 CB ALA A 119 2.347 -4.672 -8.260 1.00 0.00 C ATOM 0 H ALA A 119 1.219 -6.719 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 119 1.359 -5.450 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.953 -3.963 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.448 -4.173 -7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.921 -5.046 -7.412 1.00 0.00 H new