USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 MET CE :methyl 169:sc= -1.07 (180deg=-1.41) USER MOD Set 1.2: A 118 LYS NZ :NH3+ -128:sc= -0.0944 (180deg=-2.42!) USER MOD Set 2.1: A 83 MET CE :methyl 165:sc= -4.13 (180deg=-4.19!) USER MOD Set 2.2: A 111 SER OG : rot 49:sc=0.000118 USER MOD Set 3.1: A 104 ASN : amide:sc= 0.834 K(o=1.6,f=-2.6!) USER MOD Set 3.2: A 106 THR OG1 : rot -68:sc= 0.729 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 104:sc= 1.21 USER MOD Single : A 30 THR OG1 : rot -110:sc= -0.0953 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.55 F(o=-4.6!,f=-2.5) 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 -80:sc= 1.2 USER MOD Single : A 49 CYS SG : rot 99:sc= 0.385 USER MOD Single : A 50 THR OG1 : rot -4:sc= 0.326 USER MOD Single : A 52 MET CE :methyl 165:sc= -0.0286 (180deg=-0.267) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.04 F(o=-1.7!,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ -118:sc= -1.8! (180deg=-5.39!) USER MOD Single : A 56 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 59 SER OG : rot -76:sc= -0.276 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.02 F(o=-1.9!,f=-1) 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= -2.56 K(o=-2.6,f=-10!) USER MOD Single : A 69 ASN : amide:sc= -3.32! C(o=-3.3!,f=-4.2!) USER MOD Single : A 71 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-4.2!) USER MOD Single : A 72 GLN : amide:sc= -2.94 K(o=-2.9,f=-12!) USER MOD Single : A 75 ASN : amide:sc= 0.965 K(o=0.96,f=-5.1!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.2!) 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= -0.692 USER MOD Single : A 89 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.47) USER MOD Single : A 97 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 102 SER OG : rot -7:sc= 0.484 USER MOD Single : A 105 MET CE :methyl 162:sc= -1.24 (180deg=-3.35!) USER MOD Single : A 107 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.17) USER MOD Single : A 109 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.757 -12.162 9.302 1.00 0.00 N ATOM 197 CA ASP A 15 6.960 -12.985 9.256 1.00 0.00 C ATOM 198 C ASP A 15 8.213 -12.121 9.367 1.00 0.00 C ATOM 199 O ASP A 15 8.298 -11.033 8.798 1.00 0.00 O ATOM 200 CB ASP A 15 6.999 -13.799 7.962 1.00 0.00 C ATOM 201 CG ASP A 15 7.728 -15.117 8.130 1.00 0.00 C ATOM 202 OD1 ASP A 15 7.158 -16.034 8.756 1.00 0.00 O ATOM 203 OD2 ASP A 15 8.869 -15.231 7.635 1.00 0.00 O ATOM 0 HA ASP A 15 6.935 -13.669 10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.980 -13.991 7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.487 -13.214 7.182 1.00 0.00 H new ATOM 208 N PRO A 16 9.209 -12.616 10.117 1.00 0.00 N ATOM 209 CA PRO A 16 10.475 -11.905 10.320 1.00 0.00 C ATOM 210 C PRO A 16 11.323 -11.856 9.053 1.00 0.00 C ATOM 211 O PRO A 16 12.279 -11.089 8.965 1.00 0.00 O ATOM 212 CB PRO A 16 11.177 -12.733 11.400 1.00 0.00 C ATOM 213 CG PRO A 16 10.601 -14.100 11.264 1.00 0.00 C ATOM 214 CD PRO A 16 9.176 -13.907 10.823 1.00 0.00 C ATOM 0 HA PRO A 16 10.317 -10.863 10.597 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.257 -12.742 11.252 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.995 -12.324 12.394 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.159 -14.688 10.535 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.647 -14.639 12.210 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.845 -14.714 10.169 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.492 -13.883 11.672 1.00 0.00 H new ATOM 222 N GLN A 17 10.962 -12.680 8.073 1.00 0.00 N ATOM 223 CA GLN A 17 11.690 -12.730 6.810 1.00 0.00 C ATOM 224 C GLN A 17 10.965 -11.931 5.732 1.00 0.00 C ATOM 225 O GLN A 17 11.593 -11.242 4.928 1.00 0.00 O ATOM 226 CB GLN A 17 11.867 -14.179 6.356 1.00 0.00 C ATOM 227 CG GLN A 17 12.778 -14.993 7.260 1.00 0.00 C ATOM 228 CD GLN A 17 14.248 -14.780 6.951 1.00 0.00 C ATOM 229 OE1 GLN A 17 14.737 -15.184 5.896 1.00 0.00 O ATOM 230 NE2 GLN A 17 14.959 -14.142 7.873 1.00 0.00 N ATOM 0 H GLN A 17 10.171 -13.321 8.130 1.00 0.00 H new ATOM 0 HA GLN A 17 12.672 -12.284 6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.889 -14.659 6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.272 -14.187 5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.586 -14.725 8.299 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.538 -16.051 7.154 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.512 -13.825 8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.953 -13.969 7.721 1.00 0.00 H new ATOM 239 N LYS A 18 9.640 -12.029 5.722 1.00 0.00 N ATOM 240 CA LYS A 18 8.828 -11.314 4.743 1.00 0.00 C ATOM 241 C LYS A 18 9.106 -9.816 4.795 1.00 0.00 C ATOM 242 O LYS A 18 9.363 -9.187 3.768 1.00 0.00 O ATOM 243 CB LYS A 18 7.342 -11.577 4.995 1.00 0.00 C ATOM 244 CG LYS A 18 6.922 -13.011 4.717 1.00 0.00 C ATOM 245 CD LYS A 18 6.492 -13.196 3.272 1.00 0.00 C ATOM 246 CE LYS A 18 5.441 -14.287 3.138 1.00 0.00 C ATOM 247 NZ LYS A 18 6.056 -15.625 2.914 1.00 0.00 N ATOM 0 H LYS A 18 9.105 -12.596 6.380 1.00 0.00 H new ATOM 0 HA LYS A 18 9.093 -11.680 3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.109 -11.334 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.752 -10.907 4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.750 -13.683 4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.101 -13.286 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.094 -12.257 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.360 -13.449 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.829 -14.315 4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.775 -14.050 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.307 -16.341 2.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.619 -15.606 2.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.672 -15.863 3.718 1.00 0.00 H new ATOM 261 N GLU A 19 9.055 -9.250 5.997 1.00 0.00 N ATOM 262 CA GLU A 19 9.302 -7.825 6.180 1.00 0.00 C ATOM 263 C GLU A 19 10.422 -7.344 5.262 1.00 0.00 C ATOM 264 O GLU A 19 10.301 -6.310 4.607 1.00 0.00 O ATOM 265 CB GLU A 19 9.661 -7.530 7.639 1.00 0.00 C ATOM 266 CG GLU A 19 9.815 -6.049 7.941 1.00 0.00 C ATOM 267 CD GLU A 19 8.482 -5.333 8.043 1.00 0.00 C ATOM 268 OE1 GLU A 19 7.688 -5.418 7.084 1.00 0.00 O ATOM 269 OE2 GLU A 19 8.235 -4.686 9.082 1.00 0.00 O ATOM 0 H GLU A 19 8.845 -9.756 6.857 1.00 0.00 H new ATOM 0 HA GLU A 19 8.389 -7.288 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.888 -7.945 8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.592 -8.041 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.361 -5.928 8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.415 -5.583 7.159 1.00 0.00 H new ATOM 276 N ALA A 20 11.513 -8.102 5.223 1.00 0.00 N ATOM 277 CA ALA A 20 12.654 -7.755 4.385 1.00 0.00 C ATOM 278 C ALA A 20 12.300 -7.857 2.905 1.00 0.00 C ATOM 279 O ALA A 20 12.757 -7.054 2.093 1.00 0.00 O ATOM 280 CB ALA A 20 13.839 -8.653 4.710 1.00 0.00 C ATOM 0 H ALA A 20 11.631 -8.960 5.762 1.00 0.00 H new ATOM 0 HA ALA A 20 12.927 -6.721 4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.684 -8.383 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.115 -8.527 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.568 -9.693 4.529 1.00 0.00 H new ATOM 286 N GLU A 21 11.485 -8.849 2.564 1.00 0.00 N ATOM 287 CA GLU A 21 11.072 -9.056 1.181 1.00 0.00 C ATOM 288 C GLU A 21 10.334 -7.833 0.645 1.00 0.00 C ATOM 289 O GLU A 21 10.529 -7.429 -0.503 1.00 0.00 O ATOM 290 CB GLU A 21 10.178 -10.292 1.071 1.00 0.00 C ATOM 291 CG GLU A 21 10.853 -11.575 1.530 1.00 0.00 C ATOM 292 CD GLU A 21 10.267 -12.809 0.873 1.00 0.00 C ATOM 293 OE1 GLU A 21 9.089 -12.759 0.461 1.00 0.00 O ATOM 294 OE2 GLU A 21 10.985 -13.826 0.771 1.00 0.00 O ATOM 0 H GLU A 21 11.098 -9.522 3.226 1.00 0.00 H new ATOM 0 HA GLU A 21 11.969 -9.211 0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.278 -10.133 1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.860 -10.409 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.919 -11.520 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.758 -11.664 2.612 1.00 0.00 H new ATOM 301 N LEU A 22 9.486 -7.246 1.483 1.00 0.00 N ATOM 302 CA LEU A 22 8.717 -6.069 1.094 1.00 0.00 C ATOM 303 C LEU A 22 9.637 -4.881 0.833 1.00 0.00 C ATOM 304 O LEU A 22 9.737 -4.398 -0.296 1.00 0.00 O ATOM 305 CB LEU A 22 7.705 -5.714 2.185 1.00 0.00 C ATOM 306 CG LEU A 22 6.605 -6.744 2.441 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.806 -6.375 3.681 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.690 -6.860 1.230 1.00 0.00 C ATOM 0 H LEU A 22 9.314 -7.566 2.436 1.00 0.00 H new ATOM 0 HA LEU A 22 8.183 -6.302 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.247 -5.552 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.234 -4.767 1.921 1.00 0.00 H new ATOM 0 HG LEU A 22 7.074 -7.713 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.028 -7.120 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.469 -6.344 4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.348 -5.396 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.913 -7.598 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.229 -5.893 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.272 -7.172 0.363 1.00 0.00 H new ATOM 320 N ARG A 23 10.309 -4.416 1.880 1.00 0.00 N ATOM 321 CA ARG A 23 11.221 -3.285 1.763 1.00 0.00 C ATOM 322 C ARG A 23 12.164 -3.468 0.578 1.00 0.00 C ATOM 323 O ARG A 23 12.503 -2.509 -0.116 1.00 0.00 O ATOM 324 CB ARG A 23 12.029 -3.119 3.051 1.00 0.00 C ATOM 325 CG ARG A 23 12.835 -4.351 3.428 1.00 0.00 C ATOM 326 CD ARG A 23 13.600 -4.142 4.726 1.00 0.00 C ATOM 327 NE ARG A 23 14.609 -5.176 4.939 1.00 0.00 N ATOM 328 CZ ARG A 23 15.300 -5.307 6.066 1.00 0.00 C ATOM 329 NH1 ARG A 23 15.091 -4.474 7.076 1.00 0.00 N ATOM 330 NH2 ARG A 23 16.201 -6.273 6.185 1.00 0.00 N ATOM 0 H ARG A 23 10.239 -4.805 2.820 1.00 0.00 H new ATOM 0 HA ARG A 23 10.627 -2.386 1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.707 -2.273 2.938 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.349 -2.876 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.167 -5.206 3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.535 -4.589 2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.081 -3.164 4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.901 -4.140 5.562 1.00 0.00 H new ATOM 0 HE ARG A 23 14.793 -5.833 4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.398 -3.730 6.989 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.623 -4.577 7.940 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.364 -6.916 5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 23 16.731 -6.372 7.051 1.00 0.00 H new ATOM 344 N THR A 24 12.588 -4.709 0.351 1.00 0.00 N ATOM 345 CA THR A 24 13.493 -5.018 -0.748 1.00 0.00 C ATOM 346 C THR A 24 12.798 -4.857 -2.096 1.00 0.00 C ATOM 347 O THR A 24 13.435 -4.534 -3.098 1.00 0.00 O ATOM 348 CB THR A 24 14.045 -6.452 -0.635 1.00 0.00 C ATOM 349 OG1 THR A 24 14.755 -6.608 0.598 1.00 0.00 O ATOM 350 CG2 THR A 24 14.966 -6.771 -1.803 1.00 0.00 C ATOM 0 H THR A 24 12.318 -5.515 0.915 1.00 0.00 H new ATOM 0 HA THR A 24 14.321 -4.312 -0.683 1.00 0.00 H new ATOM 0 HB THR A 24 13.204 -7.145 -0.658 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.207 -7.121 1.228 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.343 -7.789 -1.701 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.413 -6.681 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.803 -6.073 -1.808 1.00 0.00 H new ATOM 358 N TRP A 25 11.490 -5.084 -2.111 1.00 0.00 N ATOM 359 CA TRP A 25 10.708 -4.963 -3.336 1.00 0.00 C ATOM 360 C TRP A 25 10.275 -3.520 -3.566 1.00 0.00 C ATOM 361 O TRP A 25 10.177 -3.065 -4.706 1.00 0.00 O ATOM 362 CB TRP A 25 9.479 -5.873 -3.273 1.00 0.00 C ATOM 363 CG TRP A 25 8.384 -5.456 -4.207 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.413 -5.487 -5.572 1.00 0.00 C ATOM 365 CD2 TRP A 25 7.097 -4.944 -3.842 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.223 -5.025 -6.078 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.398 -4.687 -5.039 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.467 -4.680 -2.624 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.102 -4.178 -5.048 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.181 -4.174 -2.635 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.509 -3.928 -3.840 1.00 0.00 C ATOM 0 H TRP A 25 10.949 -5.353 -1.289 1.00 0.00 H new ATOM 0 HA TRP A 25 11.338 -5.271 -4.171 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.779 -6.894 -3.509 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.094 -5.882 -2.253 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.249 -5.825 -6.166 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.991 -4.946 -7.068 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.976 -4.868 -1.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.583 -3.987 -5.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.685 -3.964 -1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.504 -3.534 -3.815 1.00 0.00 H new ATOM 382 N ILE A 26 10.018 -2.804 -2.476 1.00 0.00 N ATOM 383 CA ILE A 26 9.596 -1.411 -2.561 1.00 0.00 C ATOM 384 C ILE A 26 10.790 -0.489 -2.781 1.00 0.00 C ATOM 385 O ILE A 26 10.813 0.298 -3.728 1.00 0.00 O ATOM 386 CB ILE A 26 8.850 -0.970 -1.288 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.740 -1.967 -0.950 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.277 0.428 -1.466 1.00 0.00 C ATOM 389 CD1 ILE A 26 7.138 -1.761 0.421 1.00 0.00 C ATOM 0 H ILE A 26 10.095 -3.165 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 26 8.920 -1.337 -3.413 1.00 0.00 H new ATOM 0 HB ILE A 26 9.558 -0.948 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.952 -1.888 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.140 -2.979 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.753 0.725 -0.558 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.087 1.131 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.580 0.432 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.358 -2.503 0.591 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.914 -1.869 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.707 -0.762 0.483 1.00 0.00 H new ATOM 401 N GLU A 27 11.781 -0.591 -1.902 1.00 0.00 N ATOM 402 CA GLU A 27 12.980 0.234 -2.002 1.00 0.00 C ATOM 403 C GLU A 27 13.425 0.374 -3.455 1.00 0.00 C ATOM 404 O GLU A 27 13.779 1.463 -3.905 1.00 0.00 O ATOM 405 CB GLU A 27 14.112 -0.368 -1.166 1.00 0.00 C ATOM 406 CG GLU A 27 14.052 0.012 0.304 1.00 0.00 C ATOM 407 CD GLU A 27 15.423 0.065 0.948 1.00 0.00 C ATOM 408 OE1 GLU A 27 16.178 1.018 0.658 1.00 0.00 O ATOM 409 OE2 GLU A 27 15.743 -0.843 1.742 1.00 0.00 O ATOM 0 H GLU A 27 11.778 -1.237 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 27 12.741 1.225 -1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.079 -1.454 -1.253 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.068 -0.044 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.569 0.984 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.432 -0.709 0.837 1.00 0.00 H new ATOM 416 N GLY A 28 13.402 -0.737 -4.184 1.00 0.00 N ATOM 417 CA GLY A 28 13.805 -0.718 -5.578 1.00 0.00 C ATOM 418 C GLY A 28 12.744 -0.120 -6.481 1.00 0.00 C ATOM 419 O GLY A 28 13.060 0.507 -7.493 1.00 0.00 O ATOM 0 H GLY A 28 13.111 -1.650 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.727 -0.146 -5.678 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.024 -1.735 -5.904 1.00 0.00 H new ATOM 423 N LEU A 29 11.481 -0.315 -6.115 1.00 0.00 N ATOM 424 CA LEU A 29 10.369 0.209 -6.901 1.00 0.00 C ATOM 425 C LEU A 29 10.362 1.734 -6.885 1.00 0.00 C ATOM 426 O LEU A 29 10.453 2.377 -7.932 1.00 0.00 O ATOM 427 CB LEU A 29 9.041 -0.325 -6.359 1.00 0.00 C ATOM 428 CG LEU A 29 8.530 -1.620 -6.991 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.551 -2.319 -6.059 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.879 -1.336 -8.336 1.00 0.00 C ATOM 0 H LEU A 29 11.202 -0.831 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 29 10.495 -0.124 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.148 -0.485 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.281 0.445 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 29 9.380 -2.282 -7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.198 -3.239 -6.526 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.050 -2.557 -5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.703 -1.663 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.521 -2.269 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.039 -0.655 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.609 -0.880 -9.005 1.00 0.00 H new ATOM 442 N THR A 30 10.253 2.307 -5.691 1.00 0.00 N ATOM 443 CA THR A 30 10.236 3.758 -5.538 1.00 0.00 C ATOM 444 C THR A 30 11.647 4.330 -5.563 1.00 0.00 C ATOM 445 O THR A 30 11.853 5.485 -5.936 1.00 0.00 O ATOM 446 CB THR A 30 9.546 4.176 -4.226 1.00 0.00 C ATOM 447 OG1 THR A 30 10.329 3.752 -3.105 1.00 0.00 O ATOM 448 CG2 THR A 30 8.151 3.576 -4.132 1.00 0.00 C ATOM 0 H THR A 30 10.175 1.790 -4.815 1.00 0.00 H new ATOM 0 HA THR A 30 9.671 4.158 -6.380 1.00 0.00 H new ATOM 0 HB THR A 30 9.458 5.262 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.864 3.027 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.684 3.885 -3.197 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.548 3.923 -4.971 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.220 2.489 -4.161 1.00 0.00 H new ATOM 456 N GLY A 31 12.619 3.515 -5.163 1.00 0.00 N ATOM 457 CA GLY A 31 14.000 3.960 -5.147 1.00 0.00 C ATOM 458 C GLY A 31 14.300 4.882 -3.983 1.00 0.00 C ATOM 459 O GLY A 31 15.206 5.712 -4.056 1.00 0.00 O ATOM 0 H GLY A 31 12.474 2.555 -4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.657 3.092 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.223 4.475 -6.081 1.00 0.00 H new ATOM 463 N LEU A 32 13.535 4.740 -2.906 1.00 0.00 N ATOM 464 CA LEU A 32 13.721 5.568 -1.720 1.00 0.00 C ATOM 465 C LEU A 32 14.256 4.740 -0.555 1.00 0.00 C ATOM 466 O LEU A 32 14.486 3.539 -0.689 1.00 0.00 O ATOM 467 CB LEU A 32 12.401 6.232 -1.324 1.00 0.00 C ATOM 468 CG LEU A 32 11.789 7.177 -2.359 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.336 7.472 -2.019 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.591 8.467 -2.443 1.00 0.00 C ATOM 0 H LEU A 32 12.780 4.059 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 32 14.452 6.341 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.676 5.449 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.560 6.790 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 32 11.821 6.688 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.917 8.146 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.768 6.542 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.280 7.940 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.141 9.127 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.591 8.959 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.616 8.240 -2.734 1.00 0.00 H new ATOM 482 N SER A 33 14.450 5.392 0.587 1.00 0.00 N ATOM 483 CA SER A 33 14.960 4.716 1.775 1.00 0.00 C ATOM 484 C SER A 33 13.927 4.740 2.897 1.00 0.00 C ATOM 485 O SER A 33 13.459 5.803 3.303 1.00 0.00 O ATOM 486 CB SER A 33 16.257 5.376 2.246 1.00 0.00 C ATOM 487 OG SER A 33 17.179 5.506 1.179 1.00 0.00 O ATOM 0 H SER A 33 14.262 6.386 0.715 1.00 0.00 H new ATOM 0 HA SER A 33 15.164 3.678 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.038 6.359 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.702 4.782 3.045 1.00 0.00 H new ATOM 0 HG SER A 33 17.999 5.932 1.505 1.00 0.00 H new ATOM 493 N ILE A 34 13.577 3.558 3.395 1.00 0.00 N ATOM 494 CA ILE A 34 12.601 3.442 4.471 1.00 0.00 C ATOM 495 C ILE A 34 13.219 3.810 5.817 1.00 0.00 C ATOM 496 O ILE A 34 12.683 4.638 6.551 1.00 0.00 O ATOM 497 CB ILE A 34 12.024 2.017 4.557 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.259 1.675 3.276 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.118 1.884 5.772 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.284 0.202 2.933 1.00 0.00 C ATOM 0 H ILE A 34 13.955 2.668 3.070 1.00 0.00 H new ATOM 0 HA ILE A 34 11.795 4.139 4.241 1.00 0.00 H new ATOM 0 HB ILE A 34 12.849 1.313 4.665 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.223 1.997 3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.684 2.240 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.718 0.871 5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.690 2.090 6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.296 2.595 5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.723 0.033 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.315 -0.121 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.832 -0.368 3.745 1.00 0.00 H new ATOM 512 N GLY A 35 14.351 3.188 6.131 1.00 0.00 N ATOM 513 CA GLY A 35 15.025 3.464 7.386 1.00 0.00 C ATOM 514 C GLY A 35 15.078 2.252 8.294 1.00 0.00 C ATOM 515 O GLY A 35 14.614 1.166 7.944 1.00 0.00 O ATOM 0 H GLY A 35 14.813 2.498 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.040 3.806 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.511 4.277 7.900 1.00 0.00 H new ATOM 519 N PRO A 36 15.656 2.430 9.492 1.00 0.00 N ATOM 520 CA PRO A 36 15.783 1.353 10.478 1.00 0.00 C ATOM 521 C PRO A 36 14.439 0.954 11.076 1.00 0.00 C ATOM 522 O PRO A 36 14.162 -0.230 11.273 1.00 0.00 O ATOM 523 CB PRO A 36 16.688 1.959 11.552 1.00 0.00 C ATOM 524 CG PRO A 36 16.483 3.430 11.433 1.00 0.00 C ATOM 525 CD PRO A 36 16.230 3.697 9.975 1.00 0.00 C ATOM 0 HA PRO A 36 16.179 0.439 10.035 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.418 1.601 12.545 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.732 1.690 11.388 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.640 3.757 12.041 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.359 3.976 11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.542 4.530 9.832 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.150 3.949 9.447 1.00 0.00 H new ATOM 533 N ASP A 37 13.605 1.949 11.364 1.00 0.00 N ATOM 534 CA ASP A 37 12.289 1.701 11.940 1.00 0.00 C ATOM 535 C ASP A 37 11.217 1.678 10.854 1.00 0.00 C ATOM 536 O ASP A 37 10.571 2.690 10.584 1.00 0.00 O ATOM 537 CB ASP A 37 11.955 2.770 12.981 1.00 0.00 C ATOM 538 CG ASP A 37 13.043 2.920 14.026 1.00 0.00 C ATOM 539 OD1 ASP A 37 13.317 1.935 14.743 1.00 0.00 O ATOM 540 OD2 ASP A 37 13.621 4.023 14.128 1.00 0.00 O ATOM 0 H ASP A 37 13.818 2.934 11.208 1.00 0.00 H new ATOM 0 HA ASP A 37 12.310 0.726 12.426 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.802 3.726 12.480 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.016 2.514 13.472 1.00 0.00 H new ATOM 545 N PHE A 38 11.035 0.517 10.234 1.00 0.00 N ATOM 546 CA PHE A 38 10.043 0.362 9.176 1.00 0.00 C ATOM 547 C PHE A 38 8.785 1.168 9.488 1.00 0.00 C ATOM 548 O PHE A 38 8.435 2.096 8.759 1.00 0.00 O ATOM 549 CB PHE A 38 9.685 -1.114 8.995 1.00 0.00 C ATOM 550 CG PHE A 38 9.091 -1.427 7.651 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.816 -1.207 6.491 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.810 -1.941 7.548 1.00 0.00 C ATOM 553 CE1 PHE A 38 9.272 -1.493 5.253 1.00 0.00 C ATOM 554 CE2 PHE A 38 7.259 -2.230 6.313 1.00 0.00 C ATOM 555 CZ PHE A 38 7.993 -2.006 5.165 1.00 0.00 C ATOM 0 H PHE A 38 11.561 -0.331 10.446 1.00 0.00 H new ATOM 0 HA PHE A 38 10.475 0.740 8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.582 -1.717 9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.979 -1.406 9.772 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.817 -0.808 6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.233 -2.119 8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.846 -1.316 4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.258 -2.630 6.247 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.567 -2.232 4.199 1.00 0.00 H new ATOM 565 N GLN A 39 8.112 0.805 10.575 1.00 0.00 N ATOM 566 CA GLN A 39 6.893 1.493 10.982 1.00 0.00 C ATOM 567 C GLN A 39 7.040 3.003 10.822 1.00 0.00 C ATOM 568 O GLN A 39 6.141 3.675 10.317 1.00 0.00 O ATOM 569 CB GLN A 39 6.551 1.153 12.434 1.00 0.00 C ATOM 570 CG GLN A 39 5.192 1.668 12.876 1.00 0.00 C ATOM 571 CD GLN A 39 5.259 3.065 13.463 1.00 0.00 C ATOM 572 OE1 GLN A 39 4.822 4.053 12.691 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 5.698 3.253 14.597 1.00 0.00 N flip ATOM 0 H GLN A 39 8.390 0.039 11.189 1.00 0.00 H new ATOM 0 HA GLN A 39 6.082 1.155 10.336 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.579 0.071 12.561 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.318 1.570 13.086 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.513 1.669 12.023 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.773 0.987 13.616 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.023 2.464 15.155 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.737 4.198 14.979 1.00 0.00 H new ATOM 582 N LYS A 40 8.180 3.530 11.256 1.00 0.00 N ATOM 583 CA LYS A 40 8.447 4.961 11.161 1.00 0.00 C ATOM 584 C LYS A 40 8.611 5.387 9.706 1.00 0.00 C ATOM 585 O LYS A 40 7.777 6.111 9.163 1.00 0.00 O ATOM 586 CB LYS A 40 9.704 5.320 11.954 1.00 0.00 C ATOM 587 CG LYS A 40 9.683 4.820 13.388 1.00 0.00 C ATOM 588 CD LYS A 40 8.611 5.518 14.207 1.00 0.00 C ATOM 589 CE LYS A 40 8.665 5.102 15.669 1.00 0.00 C ATOM 590 NZ LYS A 40 7.814 5.973 16.526 1.00 0.00 N ATOM 0 H LYS A 40 8.934 2.988 11.677 1.00 0.00 H new ATOM 0 HA LYS A 40 7.595 5.494 11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.575 4.905 11.446 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.824 6.403 11.958 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.506 3.745 13.397 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.658 4.986 13.846 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.739 6.598 14.130 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.629 5.283 13.797 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.337 4.067 15.764 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.696 5.143 16.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.878 5.657 17.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.143 6.957 16.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.826 5.914 16.207 1.00 0.00 H new ATOM 604 N GLY A 41 9.692 4.933 9.079 1.00 0.00 N ATOM 605 CA GLY A 41 9.945 5.277 7.692 1.00 0.00 C ATOM 606 C GLY A 41 8.670 5.370 6.876 1.00 0.00 C ATOM 607 O GLY A 41 8.536 6.241 6.016 1.00 0.00 O ATOM 0 H GLY A 41 10.397 4.333 9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.472 6.230 7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.602 4.529 7.249 1.00 0.00 H new ATOM 611 N LEU A 42 7.731 4.469 7.144 1.00 0.00 N ATOM 612 CA LEU A 42 6.461 4.452 6.427 1.00 0.00 C ATOM 613 C LEU A 42 5.431 5.336 7.123 1.00 0.00 C ATOM 614 O LEU A 42 4.603 5.975 6.472 1.00 0.00 O ATOM 615 CB LEU A 42 5.932 3.020 6.320 1.00 0.00 C ATOM 616 CG LEU A 42 6.896 1.992 5.728 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.238 0.622 5.659 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.363 2.432 4.348 1.00 0.00 C ATOM 0 H LEU A 42 7.825 3.741 7.852 1.00 0.00 H new ATOM 0 HA LEU A 42 6.632 4.845 5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.642 2.685 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.027 3.032 5.712 1.00 0.00 H new ATOM 0 HG LEU A 42 7.767 1.922 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.939 -0.097 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.954 0.304 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.349 0.676 5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.049 1.688 3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.502 2.531 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.873 3.392 4.426 1.00 0.00 H new ATOM 630 N LYS A 43 5.488 5.370 8.449 1.00 0.00 N ATOM 631 CA LYS A 43 4.563 6.178 9.235 1.00 0.00 C ATOM 632 C LYS A 43 4.208 7.467 8.501 1.00 0.00 C ATOM 633 O LYS A 43 3.068 7.658 8.077 1.00 0.00 O ATOM 634 CB LYS A 43 5.173 6.507 10.600 1.00 0.00 C ATOM 635 CG LYS A 43 4.276 7.364 11.476 1.00 0.00 C ATOM 636 CD LYS A 43 5.087 8.249 12.407 1.00 0.00 C ATOM 637 CE LYS A 43 4.226 9.333 13.038 1.00 0.00 C ATOM 638 NZ LYS A 43 4.728 9.727 14.383 1.00 0.00 N ATOM 0 H LYS A 43 6.166 4.847 9.003 1.00 0.00 H new ATOM 0 HA LYS A 43 3.650 5.601 9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.396 5.577 11.123 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.121 7.023 10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.637 7.984 10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.619 6.722 12.063 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.537 7.639 13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.905 8.709 11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.208 10.207 12.387 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.199 8.977 13.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.115 10.467 14.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.722 8.899 15.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.699 10.090 14.298 1.00 0.00 H new ATOM 652 N ASP A 44 5.191 8.349 8.354 1.00 0.00 N ATOM 653 CA ASP A 44 4.983 9.619 7.669 1.00 0.00 C ATOM 654 C ASP A 44 4.167 9.422 6.396 1.00 0.00 C ATOM 655 O ASP A 44 3.320 10.247 6.054 1.00 0.00 O ATOM 656 CB ASP A 44 6.326 10.268 7.333 1.00 0.00 C ATOM 657 CG ASP A 44 7.362 9.256 6.883 1.00 0.00 C ATOM 658 OD1 ASP A 44 7.225 8.725 5.762 1.00 0.00 O ATOM 659 OD2 ASP A 44 8.310 8.996 7.654 1.00 0.00 O ATOM 0 H ASP A 44 6.140 8.207 8.700 1.00 0.00 H new ATOM 0 HA ASP A 44 4.428 10.277 8.337 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.181 11.009 6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.698 10.800 8.209 1.00 0.00 H new ATOM 664 N GLY A 45 4.429 8.323 5.694 1.00 0.00 N ATOM 665 CA GLY A 45 3.712 8.039 4.465 1.00 0.00 C ATOM 666 C GLY A 45 4.340 8.707 3.258 1.00 0.00 C ATOM 667 O GLY A 45 3.637 9.203 2.377 1.00 0.00 O ATOM 0 H GLY A 45 5.125 7.625 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.684 6.961 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.679 8.374 4.565 1.00 0.00 H new ATOM 671 N THR A 46 5.669 8.724 3.217 1.00 0.00 N ATOM 672 CA THR A 46 6.392 9.339 2.113 1.00 0.00 C ATOM 673 C THR A 46 6.610 8.346 0.977 1.00 0.00 C ATOM 674 O THR A 46 6.299 8.633 -0.180 1.00 0.00 O ATOM 675 CB THR A 46 7.758 9.886 2.570 1.00 0.00 C ATOM 676 OG1 THR A 46 8.445 8.900 3.349 1.00 0.00 O ATOM 677 CG2 THR A 46 7.585 11.157 3.389 1.00 0.00 C ATOM 0 H THR A 46 6.266 8.318 3.937 1.00 0.00 H new ATOM 0 HA THR A 46 5.778 10.166 1.756 1.00 0.00 H new ATOM 0 HB THR A 46 8.346 10.121 1.683 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.092 8.901 4.263 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.563 11.525 3.701 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.088 11.915 2.784 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.980 10.943 4.270 1.00 0.00 H new ATOM 685 N ILE A 47 7.145 7.177 1.313 1.00 0.00 N ATOM 686 CA ILE A 47 7.402 6.142 0.321 1.00 0.00 C ATOM 687 C ILE A 47 6.113 5.432 -0.080 1.00 0.00 C ATOM 688 O ILE A 47 5.759 5.383 -1.258 1.00 0.00 O ATOM 689 CB ILE A 47 8.408 5.098 0.844 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.698 5.784 1.297 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.701 4.061 -0.230 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.405 5.059 2.422 1.00 0.00 C ATOM 0 H ILE A 47 7.409 6.924 2.265 1.00 0.00 H new ATOM 0 HA ILE A 47 7.827 6.640 -0.551 1.00 0.00 H new ATOM 0 HB ILE A 47 7.969 4.589 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.375 5.866 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.466 6.799 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.413 3.331 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.777 3.555 -0.509 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.123 4.554 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.311 5.602 2.692 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.746 5.000 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.668 4.052 2.097 1.00 0.00 H new ATOM 704 N LEU A 48 5.414 4.885 0.908 1.00 0.00 N ATOM 705 CA LEU A 48 4.161 4.180 0.660 1.00 0.00 C ATOM 706 C LEU A 48 3.416 4.793 -0.521 1.00 0.00 C ATOM 707 O LEU A 48 2.836 4.080 -1.341 1.00 0.00 O ATOM 708 CB LEU A 48 3.279 4.213 1.908 1.00 0.00 C ATOM 709 CG LEU A 48 3.621 3.197 2.999 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.656 3.324 4.168 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.599 1.783 2.438 1.00 0.00 C ATOM 0 H LEU A 48 5.693 4.916 1.889 1.00 0.00 H new ATOM 0 HA LEU A 48 4.397 3.144 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.333 5.212 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.245 4.053 1.602 1.00 0.00 H new ATOM 0 HG LEU A 48 4.628 3.407 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.915 2.593 4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.722 4.328 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.639 3.142 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.845 1.074 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.605 1.562 2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.331 1.699 1.635 1.00 0.00 H new ATOM 723 N CYS A 49 3.437 6.119 -0.603 1.00 0.00 N ATOM 724 CA CYS A 49 2.764 6.829 -1.684 1.00 0.00 C ATOM 725 C CYS A 49 3.394 6.491 -3.032 1.00 0.00 C ATOM 726 O CYS A 49 2.736 5.946 -3.918 1.00 0.00 O ATOM 727 CB CYS A 49 2.822 8.338 -1.445 1.00 0.00 C ATOM 728 SG CYS A 49 1.734 8.919 -0.122 1.00 0.00 S ATOM 0 H CYS A 49 3.913 6.724 0.066 1.00 0.00 H new ATOM 0 HA CYS A 49 1.722 6.511 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.848 8.618 -1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.558 8.852 -2.369 1.00 0.00 H new ATOM 0 HG CYS A 49 2.422 9.071 0.971 1.00 0.00 H new ATOM 734 N THR A 50 4.674 6.819 -3.179 1.00 0.00 N ATOM 735 CA THR A 50 5.392 6.553 -4.419 1.00 0.00 C ATOM 736 C THR A 50 5.213 5.104 -4.859 1.00 0.00 C ATOM 737 O THR A 50 4.903 4.831 -6.019 1.00 0.00 O ATOM 738 CB THR A 50 6.896 6.850 -4.271 1.00 0.00 C ATOM 739 OG1 THR A 50 7.397 6.254 -3.070 1.00 0.00 O ATOM 740 CG2 THR A 50 7.152 8.350 -4.244 1.00 0.00 C ATOM 0 H THR A 50 5.234 7.269 -2.455 1.00 0.00 H new ATOM 0 HA THR A 50 4.971 7.214 -5.176 1.00 0.00 H new ATOM 0 HB THR A 50 7.414 6.425 -5.131 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.657 5.843 -2.576 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.221 8.535 -4.139 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.796 8.797 -5.172 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.622 8.794 -3.401 1.00 0.00 H new ATOM 748 N LEU A 51 5.408 4.180 -3.926 1.00 0.00 N ATOM 749 CA LEU A 51 5.268 2.757 -4.216 1.00 0.00 C ATOM 750 C LEU A 51 4.027 2.495 -5.065 1.00 0.00 C ATOM 751 O LEU A 51 4.089 1.789 -6.070 1.00 0.00 O ATOM 752 CB LEU A 51 5.189 1.955 -2.916 1.00 0.00 C ATOM 753 CG LEU A 51 4.699 0.514 -3.046 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.686 -0.317 -3.851 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.480 -0.101 -1.671 1.00 0.00 C ATOM 0 H LEU A 51 5.664 4.390 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 51 6.146 2.438 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.179 1.941 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.528 2.482 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 51 3.746 0.522 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.319 -1.340 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.793 0.110 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.654 -0.318 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.131 -1.128 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.418 -0.095 -1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.734 0.479 -1.128 1.00 0.00 H new ATOM 767 N MET A 52 2.902 3.071 -4.653 1.00 0.00 N ATOM 768 CA MET A 52 1.649 2.903 -5.377 1.00 0.00 C ATOM 769 C MET A 52 1.717 3.573 -6.746 1.00 0.00 C ATOM 770 O MET A 52 1.281 3.006 -7.747 1.00 0.00 O ATOM 771 CB MET A 52 0.486 3.483 -4.569 1.00 0.00 C ATOM 772 CG MET A 52 -0.880 3.046 -5.071 1.00 0.00 C ATOM 773 SD MET A 52 -1.216 1.305 -4.744 1.00 0.00 S ATOM 774 CE MET A 52 -1.555 0.710 -6.399 1.00 0.00 C ATOM 0 H MET A 52 2.833 3.658 -3.822 1.00 0.00 H new ATOM 0 HA MET A 52 1.484 1.836 -5.523 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.594 3.184 -3.526 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.543 4.571 -4.596 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.649 3.656 -4.597 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.944 3.229 -6.144 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.518 -0.379 -6.409 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.546 1.042 -6.709 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.808 1.104 -7.088 1.00 0.00 H new ATOM 784 N ASN A 53 2.266 4.783 -6.780 1.00 0.00 N ATOM 785 CA ASN A 53 2.390 5.531 -8.026 1.00 0.00 C ATOM 786 C ASN A 53 3.134 4.715 -9.079 1.00 0.00 C ATOM 787 O ASN A 53 2.785 4.737 -10.259 1.00 0.00 O ATOM 788 CB ASN A 53 3.119 6.854 -7.781 1.00 0.00 C ATOM 789 CG ASN A 53 2.171 7.971 -7.389 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.577 8.777 -6.415 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.087 8.109 -7.957 1.00 0.00 N flip ATOM 0 H ASN A 53 2.632 5.266 -5.960 1.00 0.00 H new ATOM 0 HA ASN A 53 1.386 5.740 -8.396 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.860 6.717 -6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.660 7.140 -8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.815 7.466 -8.701 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.461 8.866 -7.684 1.00 0.00 H new ATOM 798 N LYS A 54 4.161 3.993 -8.642 1.00 0.00 N ATOM 799 CA LYS A 54 4.954 3.168 -9.545 1.00 0.00 C ATOM 800 C LYS A 54 4.089 2.103 -10.211 1.00 0.00 C ATOM 801 O LYS A 54 4.197 1.864 -11.415 1.00 0.00 O ATOM 802 CB LYS A 54 6.103 2.502 -8.783 1.00 0.00 C ATOM 803 CG LYS A 54 6.942 3.478 -7.975 1.00 0.00 C ATOM 804 CD LYS A 54 8.049 4.092 -8.815 1.00 0.00 C ATOM 805 CE LYS A 54 7.618 5.417 -9.422 1.00 0.00 C ATOM 806 NZ LYS A 54 7.065 5.245 -10.794 1.00 0.00 N ATOM 0 H LYS A 54 4.463 3.963 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 54 5.365 3.814 -10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.694 1.746 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.747 1.983 -9.493 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.303 4.268 -7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.377 2.963 -7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.934 4.244 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.330 3.401 -9.610 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.867 5.882 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.471 6.095 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.656 5.764 -11.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.058 4.235 -11.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.094 5.616 -10.826 1.00 0.00 H new ATOM 820 N LEU A 55 3.229 1.467 -9.422 1.00 0.00 N ATOM 821 CA LEU A 55 2.343 0.428 -9.937 1.00 0.00 C ATOM 822 C LEU A 55 1.225 1.034 -10.778 1.00 0.00 C ATOM 823 O LEU A 55 0.997 0.621 -11.914 1.00 0.00 O ATOM 824 CB LEU A 55 1.749 -0.379 -8.782 1.00 0.00 C ATOM 825 CG LEU A 55 2.735 -0.844 -7.709 1.00 0.00 C ATOM 826 CD1 LEU A 55 2.003 -1.560 -6.585 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.796 -1.749 -8.317 1.00 0.00 C ATOM 0 H LEU A 55 3.126 1.652 -8.424 1.00 0.00 H new ATOM 0 HA LEU A 55 2.930 -0.236 -10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.979 0.225 -8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.253 -1.257 -9.196 1.00 0.00 H new ATOM 0 HG LEU A 55 3.229 0.034 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.721 -1.883 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.281 -0.881 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.482 -2.429 -6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.489 -2.070 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.318 -2.622 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.342 -1.203 -9.087 1.00 0.00 H new ATOM 839 N GLN A 56 0.532 2.018 -10.212 1.00 0.00 N ATOM 840 CA GLN A 56 -0.561 2.681 -10.912 1.00 0.00 C ATOM 841 C GLN A 56 -0.198 4.124 -11.247 1.00 0.00 C ATOM 842 O GLN A 56 0.186 4.910 -10.381 1.00 0.00 O ATOM 843 CB GLN A 56 -1.833 2.648 -10.061 1.00 0.00 C ATOM 844 CG GLN A 56 -2.916 3.597 -10.549 1.00 0.00 C ATOM 845 CD GLN A 56 -4.314 3.070 -10.291 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.104 2.892 -11.218 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.627 2.817 -9.026 1.00 0.00 N ATOM 0 H GLN A 56 0.708 2.373 -9.272 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.740 2.145 -11.844 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.228 1.632 -10.053 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.578 2.899 -9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.798 4.561 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.788 3.769 -11.618 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.941 2.979 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.553 2.460 -8.791 1.00 0.00 H new ATOM 856 N PRO A 57 -0.320 4.482 -12.534 1.00 0.00 N ATOM 857 CA PRO A 57 -0.008 5.831 -13.013 1.00 0.00 C ATOM 858 C PRO A 57 -1.018 6.866 -12.528 1.00 0.00 C ATOM 859 O PRO A 57 -0.946 8.038 -12.896 1.00 0.00 O ATOM 860 CB PRO A 57 -0.074 5.692 -14.536 1.00 0.00 C ATOM 861 CG PRO A 57 -0.990 4.540 -14.770 1.00 0.00 C ATOM 862 CD PRO A 57 -0.771 3.596 -13.620 1.00 0.00 C ATOM 0 HA PRO A 57 0.957 6.181 -12.645 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.455 6.602 -15.001 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.913 5.506 -14.960 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.028 4.869 -14.812 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.771 4.054 -15.721 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.686 3.068 -13.354 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.024 2.839 -13.858 1.00 0.00 H new ATOM 870 N GLY A 58 -1.960 6.424 -11.700 1.00 0.00 N ATOM 871 CA GLY A 58 -2.971 7.325 -11.179 1.00 0.00 C ATOM 872 C GLY A 58 -3.490 6.891 -9.823 1.00 0.00 C ATOM 873 O GLY A 58 -4.695 6.719 -9.639 1.00 0.00 O ATOM 0 H GLY A 58 -2.041 5.459 -11.381 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.553 8.329 -11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.802 7.380 -11.882 1.00 0.00 H new ATOM 877 N SER A 59 -2.580 6.712 -8.872 1.00 0.00 N ATOM 878 CA SER A 59 -2.952 6.290 -7.527 1.00 0.00 C ATOM 879 C SER A 59 -2.868 7.457 -6.547 1.00 0.00 C ATOM 880 O SER A 59 -3.882 7.920 -6.027 1.00 0.00 O ATOM 881 CB SER A 59 -2.046 5.150 -7.057 1.00 0.00 C ATOM 882 OG SER A 59 -0.715 5.338 -7.508 1.00 0.00 O ATOM 0 H SER A 59 -1.579 6.853 -9.008 1.00 0.00 H new ATOM 0 HA SER A 59 -3.983 5.937 -7.558 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.060 5.095 -5.968 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.429 4.200 -7.429 1.00 0.00 H new ATOM 0 HG SER A 59 -0.657 5.110 -8.459 1.00 0.00 H new ATOM 888 N VAL A 60 -1.649 7.928 -6.302 1.00 0.00 N ATOM 889 CA VAL A 60 -1.430 9.042 -5.387 1.00 0.00 C ATOM 890 C VAL A 60 -1.237 10.349 -6.148 1.00 0.00 C ATOM 891 O VAL A 60 -0.365 10.471 -7.009 1.00 0.00 O ATOM 892 CB VAL A 60 -0.203 8.798 -4.488 1.00 0.00 C ATOM 893 CG1 VAL A 60 0.086 10.022 -3.634 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.417 7.568 -3.619 1.00 0.00 C ATOM 0 H VAL A 60 -0.799 7.555 -6.724 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.320 9.117 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 60 0.663 8.618 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.956 9.830 -3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.286 10.877 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.776 10.237 -3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.459 7.410 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.294 7.716 -2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.570 6.696 -4.254 1.00 0.00 H new ATOM 904 N PRO A 61 -2.066 11.351 -5.824 1.00 0.00 N ATOM 905 CA PRO A 61 -2.006 12.668 -6.466 1.00 0.00 C ATOM 906 C PRO A 61 -0.756 13.447 -6.072 1.00 0.00 C ATOM 907 O PRO A 61 -0.038 13.964 -6.929 1.00 0.00 O ATOM 908 CB PRO A 61 -3.261 13.374 -5.945 1.00 0.00 C ATOM 909 CG PRO A 61 -3.559 12.708 -4.647 1.00 0.00 C ATOM 910 CD PRO A 61 -3.129 11.276 -4.807 1.00 0.00 C ATOM 0 HA PRO A 61 -1.963 12.591 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.088 14.442 -5.811 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.092 13.271 -6.643 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.021 13.188 -3.830 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.621 12.772 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.760 10.860 -3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.954 10.643 -5.134 1.00 0.00 H new ATOM 918 N LYS A 62 -0.499 13.527 -4.771 1.00 0.00 N ATOM 919 CA LYS A 62 0.667 14.242 -4.263 1.00 0.00 C ATOM 920 C LYS A 62 1.087 13.698 -2.901 1.00 0.00 C ATOM 921 O LYS A 62 0.321 12.996 -2.240 1.00 0.00 O ATOM 922 CB LYS A 62 0.366 15.739 -4.156 1.00 0.00 C ATOM 923 CG LYS A 62 1.588 16.620 -4.348 1.00 0.00 C ATOM 924 CD LYS A 62 1.221 18.094 -4.337 1.00 0.00 C ATOM 925 CE LYS A 62 2.186 18.915 -5.178 1.00 0.00 C ATOM 926 NZ LYS A 62 3.417 19.273 -4.418 1.00 0.00 N ATOM 0 H LYS A 62 -1.083 13.105 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 62 1.488 14.092 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.384 16.005 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.070 15.945 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.311 16.418 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.072 16.372 -5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.207 18.220 -4.717 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.225 18.463 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.461 18.352 -6.070 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.690 19.825 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.050 19.832 -5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.158 19.832 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.904 18.405 -4.117 1.00 0.00 H new ATOM 940 N ILE A 63 2.305 14.029 -2.488 1.00 0.00 N ATOM 941 CA ILE A 63 2.826 13.576 -1.204 1.00 0.00 C ATOM 942 C ILE A 63 3.226 14.757 -0.325 1.00 0.00 C ATOM 943 O ILE A 63 3.968 15.638 -0.754 1.00 0.00 O ATOM 944 CB ILE A 63 4.043 12.648 -1.385 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.656 11.419 -2.209 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.596 12.233 -0.030 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.837 10.727 -2.851 1.00 0.00 C ATOM 0 H ILE A 63 2.950 14.610 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 63 2.025 13.019 -0.717 1.00 0.00 H new ATOM 0 HB ILE A 63 4.821 13.191 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.135 10.710 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.954 11.719 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.455 11.578 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.904 13.120 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.826 11.704 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.489 9.865 -3.419 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.346 11.421 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.529 10.396 -2.077 1.00 0.00 H new ATOM 959 N ASN A 64 2.729 14.765 0.908 1.00 0.00 N ATOM 960 CA ASN A 64 3.037 15.836 1.848 1.00 0.00 C ATOM 961 C ASN A 64 4.442 15.675 2.416 1.00 0.00 C ATOM 962 O ASN A 64 4.725 14.721 3.141 1.00 0.00 O ATOM 963 CB ASN A 64 2.013 15.853 2.986 1.00 0.00 C ATOM 964 CG ASN A 64 0.592 16.021 2.483 1.00 0.00 C ATOM 965 OD1 ASN A 64 -0.314 15.189 2.984 1.00 0.00 O flip ATOM 966 ND2 ASN A 64 0.313 16.889 1.656 1.00 0.00 N flip ATOM 0 H ASN A 64 2.112 14.042 1.279 1.00 0.00 H new ATOM 0 HA ASN A 64 2.989 16.783 1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.088 14.925 3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.251 16.665 3.673 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.042 17.506 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.647 16.991 1.328 1.00 0.00 H new ATOM 973 N ARG A 65 5.321 16.614 2.081 1.00 0.00 N ATOM 974 CA ARG A 65 6.698 16.578 2.558 1.00 0.00 C ATOM 975 C ARG A 65 6.859 17.409 3.826 1.00 0.00 C ATOM 976 O ARG A 65 7.856 18.109 4.000 1.00 0.00 O ATOM 977 CB ARG A 65 7.649 17.091 1.475 1.00 0.00 C ATOM 978 CG ARG A 65 8.130 16.008 0.523 1.00 0.00 C ATOM 979 CD ARG A 65 7.059 15.639 -0.491 1.00 0.00 C ATOM 980 NE ARG A 65 7.617 14.954 -1.653 1.00 0.00 N ATOM 981 CZ ARG A 65 6.932 14.723 -2.768 1.00 0.00 C ATOM 982 NH1 ARG A 65 5.672 15.121 -2.872 1.00 0.00 N ATOM 983 NH2 ARG A 65 7.510 14.093 -3.783 1.00 0.00 N ATOM 0 H ARG A 65 5.104 17.409 1.481 1.00 0.00 H new ATOM 0 HA ARG A 65 6.947 15.543 2.791 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.146 17.870 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.513 17.554 1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.023 16.352 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.414 15.123 1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.315 14.999 -0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.542 16.542 -0.816 1.00 0.00 H new ATOM 0 HE ARG A 65 8.585 14.635 -1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.225 15.607 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.150 14.942 -3.730 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.480 13.786 -3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.984 13.916 -4.639 1.00 0.00 H new ATOM 997 N SER A 66 5.868 17.330 4.710 1.00 0.00 N ATOM 998 CA SER A 66 5.896 18.079 5.960 1.00 0.00 C ATOM 999 C SER A 66 5.916 17.134 7.159 1.00 0.00 C ATOM 1000 O SER A 66 5.802 15.919 7.006 1.00 0.00 O ATOM 1001 CB SER A 66 4.686 19.009 6.049 1.00 0.00 C ATOM 1002 OG SER A 66 4.793 20.077 5.123 1.00 0.00 O ATOM 0 H SER A 66 5.036 16.754 4.582 1.00 0.00 H new ATOM 0 HA SER A 66 6.807 18.678 5.976 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.774 18.444 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.603 19.407 7.060 1.00 0.00 H new ATOM 0 HG SER A 66 4.006 20.656 5.199 1.00 0.00 H new ATOM 1008 N MET A 67 6.061 17.705 8.350 1.00 0.00 N ATOM 1009 CA MET A 67 6.094 16.915 9.576 1.00 0.00 C ATOM 1010 C MET A 67 4.883 17.220 10.452 1.00 0.00 C ATOM 1011 O MET A 67 5.004 17.347 11.669 1.00 0.00 O ATOM 1012 CB MET A 67 7.383 17.193 10.352 1.00 0.00 C ATOM 1013 CG MET A 67 7.864 16.008 11.173 1.00 0.00 C ATOM 1014 SD MET A 67 7.151 15.975 12.830 1.00 0.00 S ATOM 1015 CE MET A 67 8.354 16.946 13.735 1.00 0.00 C ATOM 0 H MET A 67 6.157 18.710 8.493 1.00 0.00 H new ATOM 0 HA MET A 67 6.064 15.861 9.301 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.166 17.480 9.650 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.222 18.043 11.015 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.610 15.084 10.654 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.951 16.041 11.250 1.00 0.00 H new ATOM 0 HE1 MET A 67 8.052 17.017 14.780 1.00 0.00 H new ATOM 0 HE2 MET A 67 9.331 16.467 13.671 1.00 0.00 H new ATOM 0 HE3 MET A 67 8.412 17.946 13.305 1.00 0.00 H new ATOM 1025 N GLN A 68 3.717 17.335 9.823 1.00 0.00 N ATOM 1026 CA GLN A 68 2.486 17.627 10.547 1.00 0.00 C ATOM 1027 C GLN A 68 1.612 16.381 10.657 1.00 0.00 C ATOM 1028 O GLN A 68 1.400 15.672 9.674 1.00 0.00 O ATOM 1029 CB GLN A 68 1.712 18.747 9.850 1.00 0.00 C ATOM 1030 CG GLN A 68 2.534 20.006 9.628 1.00 0.00 C ATOM 1031 CD GLN A 68 3.303 20.427 10.866 1.00 0.00 C ATOM 1032 OE1 GLN A 68 4.233 19.744 11.294 1.00 0.00 O ATOM 1033 NE2 GLN A 68 2.917 21.557 11.447 1.00 0.00 N ATOM 0 H GLN A 68 3.600 17.230 8.815 1.00 0.00 H new ATOM 0 HA GLN A 68 2.754 17.952 11.552 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.351 18.384 8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.834 18.996 10.446 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.234 19.839 8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.874 20.817 9.322 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.140 22.091 11.057 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.397 21.891 12.283 1.00 0.00 H new ATOM 1042 N ASN A 69 1.108 16.122 11.859 1.00 0.00 N ATOM 1043 CA ASN A 69 0.257 14.961 12.097 1.00 0.00 C ATOM 1044 C ASN A 69 -0.722 14.758 10.944 1.00 0.00 C ATOM 1045 O ASN A 69 -0.660 13.754 10.234 1.00 0.00 O ATOM 1046 CB ASN A 69 -0.511 15.127 13.410 1.00 0.00 C ATOM 1047 CG ASN A 69 -1.740 14.241 13.476 1.00 0.00 C ATOM 1048 OD1 ASN A 69 -1.664 13.036 13.240 1.00 0.00 O ATOM 1049 ND2 ASN A 69 -2.883 14.838 13.797 1.00 0.00 N ATOM 0 H ASN A 69 1.274 16.700 12.683 1.00 0.00 H new ATOM 0 HA ASN A 69 0.896 14.081 12.166 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.148 14.892 14.246 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.811 16.169 13.523 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.744 14.294 13.856 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.900 15.840 13.985 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.622 15.717 10.764 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.613 15.645 9.697 1.00 0.00 C ATOM 1058 C TRP A 70 -1.956 15.291 8.367 1.00 0.00 C ATOM 1059 O TRP A 70 -2.408 14.388 7.661 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.358 16.975 9.574 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.464 18.170 9.697 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -1.674 18.707 8.721 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -2.268 18.977 10.864 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -0.998 19.799 9.212 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.346 19.985 10.523 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.783 18.946 12.162 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.929 20.951 11.435 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -2.368 19.905 13.067 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -1.449 20.897 12.700 1.00 0.00 C ATOM 0 H TRP A 70 -1.686 16.554 11.343 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.326 14.860 9.949 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.868 17.010 8.611 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.127 17.025 10.345 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.592 18.330 7.712 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.343 20.377 8.685 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.493 18.186 12.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.220 21.716 11.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -2.759 19.889 14.074 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.145 21.633 13.429 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.888 16.006 8.030 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.168 15.766 6.784 1.00 0.00 C ATOM 1082 C HIS A 71 0.231 14.299 6.662 1.00 0.00 C ATOM 1083 O HIS A 71 -0.149 13.621 5.706 1.00 0.00 O ATOM 1084 CB HIS A 71 1.075 16.652 6.711 1.00 0.00 C ATOM 1085 CG HIS A 71 0.797 18.034 6.202 1.00 0.00 C ATOM 1086 ND1 HIS A 71 1.563 19.128 6.540 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.169 18.494 5.374 1.00 0.00 C ATOM 1088 CE1 HIS A 71 1.080 20.203 5.944 1.00 0.00 C ATOM 1089 NE2 HIS A 71 0.028 19.846 5.230 1.00 0.00 N ATOM 0 H HIS A 71 -0.501 16.757 8.602 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.831 16.014 5.955 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.520 16.722 7.704 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.812 16.177 6.064 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.950 17.908 4.912 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.478 21.204 6.026 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.545 20.472 4.664 1.00 0.00 H new ATOM 1098 N GLN A 72 0.997 13.814 7.634 1.00 0.00 N ATOM 1099 CA GLN A 72 1.447 12.428 7.633 1.00 0.00 C ATOM 1100 C GLN A 72 0.282 11.477 7.377 1.00 0.00 C ATOM 1101 O GLN A 72 0.407 10.515 6.618 1.00 0.00 O ATOM 1102 CB GLN A 72 2.117 12.086 8.965 1.00 0.00 C ATOM 1103 CG GLN A 72 3.589 12.462 9.019 1.00 0.00 C ATOM 1104 CD GLN A 72 3.813 13.872 9.529 1.00 0.00 C ATOM 1105 OE1 GLN A 72 3.500 14.848 8.847 1.00 0.00 O ATOM 1106 NE2 GLN A 72 4.357 13.987 10.734 1.00 0.00 N ATOM 0 H GLN A 72 1.319 14.361 8.432 1.00 0.00 H new ATOM 0 HA GLN A 72 2.173 12.309 6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.590 12.598 9.770 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.017 11.016 9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.116 11.759 9.663 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.021 12.367 8.023 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.601 13.151 11.265 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.531 14.911 11.129 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.850 11.752 8.016 1.00 0.00 N ATOM 1116 CA LEU A 73 -2.038 10.921 7.857 1.00 0.00 C ATOM 1117 C LEU A 73 -2.528 10.939 6.412 1.00 0.00 C ATOM 1118 O LEU A 73 -2.708 9.890 5.796 1.00 0.00 O ATOM 1119 CB LEU A 73 -3.150 11.404 8.790 1.00 0.00 C ATOM 1120 CG LEU A 73 -3.130 10.835 10.210 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.457 9.350 10.193 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.778 11.078 10.863 1.00 0.00 C ATOM 0 H LEU A 73 -0.970 12.543 8.648 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.771 9.897 8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.096 12.491 8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.110 11.159 8.336 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.891 11.348 10.798 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.438 8.962 11.211 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.449 9.201 9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.719 8.822 9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.782 10.667 11.872 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.998 10.592 10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.583 12.150 10.909 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.739 12.139 5.880 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.206 12.292 4.507 1.00 0.00 C ATOM 1136 C GLU A 74 -2.481 11.326 3.574 1.00 0.00 C ATOM 1137 O GLU A 74 -3.096 10.705 2.708 1.00 0.00 O ATOM 1138 CB GLU A 74 -2.996 13.731 4.031 1.00 0.00 C ATOM 1139 CG GLU A 74 -3.836 14.101 2.820 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.323 13.955 3.077 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -5.758 14.223 4.216 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.053 13.572 2.138 1.00 0.00 O ATOM 0 H GLU A 74 -2.594 13.018 6.378 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.271 12.061 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.232 14.413 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.943 13.875 3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.620 15.130 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.552 13.469 1.979 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.171 11.206 3.760 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.361 10.316 2.934 1.00 0.00 C ATOM 1151 C ASN A 75 -0.948 8.908 2.913 1.00 0.00 C ATOM 1152 O ASN A 75 -1.252 8.365 1.851 1.00 0.00 O ATOM 1153 CB ASN A 75 1.078 10.273 3.453 1.00 0.00 C ATOM 1154 CG ASN A 75 1.889 11.474 3.007 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.664 12.024 1.929 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.840 11.888 3.839 1.00 0.00 N ATOM 0 H ASN A 75 -0.647 11.713 4.474 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.362 10.706 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.067 10.229 4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.561 9.361 3.102 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.418 12.692 3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.992 11.402 4.723 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.105 8.321 4.096 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.657 6.977 4.214 1.00 0.00 C ATOM 1165 C LEU A 76 -3.066 6.912 3.635 1.00 0.00 C ATOM 1166 O LEU A 76 -3.373 6.045 2.817 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.677 6.540 5.680 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.311 6.352 6.343 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.476 5.877 7.778 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.536 5.370 5.548 1.00 0.00 C ATOM 0 H LEU A 76 -0.858 8.755 4.985 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.020 6.299 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.237 7.280 6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.225 5.601 5.751 1.00 0.00 H new ATOM 0 HG LEU A 76 0.201 7.314 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.506 5.749 8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.045 6.616 8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.008 4.925 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.504 5.248 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.029 4.406 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.683 5.751 4.537 1.00 0.00 H new ATOM 1182 N SER A 77 -3.919 7.839 4.061 1.00 0.00 N ATOM 1183 CA SER A 77 -5.297 7.887 3.585 1.00 0.00 C ATOM 1184 C SER A 77 -5.350 7.776 2.064 1.00 0.00 C ATOM 1185 O SER A 77 -6.183 7.059 1.512 1.00 0.00 O ATOM 1186 CB SER A 77 -5.970 9.184 4.037 1.00 0.00 C ATOM 1187 OG SER A 77 -6.252 9.155 5.426 1.00 0.00 O ATOM 0 H SER A 77 -3.680 8.567 4.735 1.00 0.00 H new ATOM 0 HA SER A 77 -5.833 7.040 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.322 10.031 3.812 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.894 9.332 3.478 1.00 0.00 H new ATOM 0 HG SER A 77 -6.680 9.996 5.690 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.454 8.494 1.394 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.399 8.477 -0.064 1.00 0.00 C ATOM 1195 C ASN A 78 -3.942 7.115 -0.575 1.00 0.00 C ATOM 1196 O ASN A 78 -4.593 6.509 -1.427 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.454 9.568 -0.571 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.127 10.926 -0.650 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.314 11.025 -0.959 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.368 11.979 -0.370 1.00 0.00 N ATOM 0 H ASN A 78 -3.757 9.094 1.836 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.403 8.669 -0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.590 9.632 0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.081 9.292 -1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.765 12.918 -0.406 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.388 11.849 -0.118 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.819 6.638 -0.051 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.273 5.347 -0.455 1.00 0.00 C ATOM 1209 C PHE A 79 -3.321 4.246 -0.313 1.00 0.00 C ATOM 1210 O PHE A 79 -3.593 3.509 -1.261 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.042 5.004 0.385 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.572 3.589 0.212 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.300 3.085 -1.051 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.402 2.761 1.310 1.00 0.00 C ATOM 1215 CE1 PHE A 79 0.131 1.782 -1.214 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.030 1.457 1.153 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.298 0.968 -0.111 1.00 0.00 C ATOM 0 H PHE A 79 -2.268 7.126 0.655 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.981 5.416 -1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.231 5.682 0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.271 5.176 1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.426 3.718 -1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.609 3.139 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.337 1.401 -2.203 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.158 0.822 2.017 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.638 -0.050 -0.236 1.00 0.00 H new ATOM 1227 N ILE A 80 -3.905 4.143 0.876 1.00 0.00 N ATOM 1228 CA ILE A 80 -4.922 3.133 1.142 1.00 0.00 C ATOM 1229 C ILE A 80 -6.019 3.166 0.083 1.00 0.00 C ATOM 1230 O ILE A 80 -6.282 2.167 -0.587 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.558 3.327 2.530 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.497 3.196 3.624 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.677 2.319 2.746 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -4.875 3.881 4.918 1.00 0.00 C ATOM 0 H ILE A 80 -3.691 4.746 1.670 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.421 2.165 1.113 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.984 4.329 2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.318 2.139 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.559 3.616 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.117 2.469 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.443 2.456 1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.274 1.308 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.076 3.747 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.025 4.945 4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.796 3.446 5.305 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.655 4.324 -0.065 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.722 4.491 -1.045 1.00 0.00 C ATOM 1248 C LYS A 81 -7.268 4.035 -2.428 1.00 0.00 C ATOM 1249 O LYS A 81 -8.045 3.462 -3.189 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.169 5.953 -1.098 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.012 6.377 0.092 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.233 7.881 0.113 1.00 0.00 C ATOM 1253 CE LYS A 81 -10.061 8.305 1.316 1.00 0.00 C ATOM 1254 NZ LYS A 81 -10.067 9.784 1.490 1.00 0.00 N ATOM 0 H LYS A 81 -6.450 5.160 0.481 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.564 3.871 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.287 6.592 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.739 6.117 -2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.975 5.868 0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.521 6.068 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.270 8.391 0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.736 8.189 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.084 7.949 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.663 7.835 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.642 10.034 2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.093 10.121 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.470 10.232 0.642 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.003 4.294 -2.745 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.445 3.908 -4.035 1.00 0.00 C ATOM 1270 C ALA A 82 -5.473 2.394 -4.213 1.00 0.00 C ATOM 1271 O ALA A 82 -5.789 1.893 -5.292 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.023 4.432 -4.172 1.00 0.00 C ATOM 0 H ALA A 82 -5.346 4.769 -2.126 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.061 4.351 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.618 4.137 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.027 5.519 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.404 4.016 -3.377 1.00 0.00 H new ATOM 1278 N MET A 83 -5.140 1.671 -3.149 1.00 0.00 N ATOM 1279 CA MET A 83 -5.128 0.213 -3.190 1.00 0.00 C ATOM 1280 C MET A 83 -6.491 -0.331 -3.607 1.00 0.00 C ATOM 1281 O MET A 83 -6.582 -1.222 -4.451 1.00 0.00 O ATOM 1282 CB MET A 83 -4.736 -0.353 -1.824 1.00 0.00 C ATOM 1283 CG MET A 83 -3.306 -0.032 -1.419 1.00 0.00 C ATOM 1284 SD MET A 83 -2.650 -1.190 -0.203 1.00 0.00 S ATOM 1285 CE MET A 83 -3.389 -0.557 1.300 1.00 0.00 C ATOM 0 H MET A 83 -4.875 2.070 -2.249 1.00 0.00 H new ATOM 0 HA MET A 83 -4.391 -0.099 -3.930 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.416 0.041 -1.068 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.867 -1.435 -1.837 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.671 -0.043 -2.305 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.266 0.978 -1.011 1.00 0.00 H new ATOM 0 HE1 MET A 83 -3.303 -1.303 2.090 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.873 0.354 1.604 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.441 -0.336 1.123 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.547 0.212 -3.011 1.00 0.00 N ATOM 1296 CA VAL A 84 -8.905 -0.218 -3.321 1.00 0.00 C ATOM 1297 C VAL A 84 -9.172 -0.156 -4.820 1.00 0.00 C ATOM 1298 O VAL A 84 -9.767 -1.069 -5.393 1.00 0.00 O ATOM 1299 CB VAL A 84 -9.949 0.647 -2.589 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.358 0.210 -2.959 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.737 0.578 -1.085 1.00 0.00 C ATOM 0 H VAL A 84 -7.488 0.951 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.996 -1.250 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.822 1.683 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.082 0.832 -2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.502 0.317 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.502 -0.833 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.483 1.195 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.836 -0.455 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.740 0.945 -0.841 1.00 0.00 H new ATOM 1311 N SER A 85 -8.726 0.925 -5.452 1.00 0.00 N ATOM 1312 CA SER A 85 -8.919 1.108 -6.885 1.00 0.00 C ATOM 1313 C SER A 85 -8.116 0.080 -7.677 1.00 0.00 C ATOM 1314 O SER A 85 -8.598 -0.472 -8.666 1.00 0.00 O ATOM 1315 CB SER A 85 -8.510 2.522 -7.301 1.00 0.00 C ATOM 1316 OG SER A 85 -8.809 2.760 -8.666 1.00 0.00 O ATOM 0 H SER A 85 -8.228 1.688 -4.993 1.00 0.00 H new ATOM 0 HA SER A 85 -9.977 0.965 -7.105 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.029 3.252 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.442 2.660 -7.130 1.00 0.00 H new ATOM 0 HG SER A 85 -8.539 3.671 -8.906 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.889 -0.171 -7.233 1.00 0.00 N ATOM 1323 CA TYR A 86 -6.016 -1.129 -7.901 1.00 0.00 C ATOM 1324 C TYR A 86 -6.738 -2.454 -8.132 1.00 0.00 C ATOM 1325 O TYR A 86 -6.739 -2.988 -9.241 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.752 -1.363 -7.073 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.594 -1.909 -7.876 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -3.101 -1.221 -8.979 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.994 -3.115 -7.535 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -2.043 -1.718 -9.716 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.935 -3.618 -8.265 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.464 -2.916 -9.356 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.410 -3.414 -10.087 1.00 0.00 O ATOM 0 H TYR A 86 -6.477 0.276 -6.414 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.736 -0.714 -8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.451 -0.423 -6.611 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.981 -2.057 -6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.552 -0.282 -9.265 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.362 -3.669 -6.684 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.672 -1.171 -10.570 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.478 -4.555 -7.984 1.00 0.00 H new ATOM 0 HH TYR A 86 0.100 -2.672 -10.473 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.352 -2.978 -7.076 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.070 -4.235 -7.182 1.00 0.00 C ATOM 1345 C GLY A 87 -7.814 -5.150 -6.002 1.00 0.00 C ATOM 1346 O GLY A 87 -7.698 -6.365 -6.164 1.00 0.00 O ATOM 0 H GLY A 87 -7.365 -2.554 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.139 -4.034 -7.257 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.776 -4.742 -8.101 1.00 0.00 H new ATOM 1350 N MET A 88 -7.724 -4.568 -4.812 1.00 0.00 N ATOM 1351 CA MET A 88 -7.480 -5.341 -3.599 1.00 0.00 C ATOM 1352 C MET A 88 -8.793 -5.712 -2.917 1.00 0.00 C ATOM 1353 O MET A 88 -9.870 -5.331 -3.375 1.00 0.00 O ATOM 1354 CB MET A 88 -6.597 -4.548 -2.632 1.00 0.00 C ATOM 1355 CG MET A 88 -5.221 -4.224 -3.194 1.00 0.00 C ATOM 1356 SD MET A 88 -3.972 -4.046 -1.907 1.00 0.00 S ATOM 1357 CE MET A 88 -3.490 -5.754 -1.664 1.00 0.00 C ATOM 0 H MET A 88 -7.816 -3.564 -4.661 1.00 0.00 H new ATOM 0 HA MET A 88 -6.965 -6.259 -3.881 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.102 -3.618 -2.370 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.479 -5.117 -1.710 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.918 -5.013 -3.882 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.276 -3.301 -3.772 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.594 -5.795 -1.045 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.298 -6.293 -1.169 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.285 -6.215 -2.630 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.696 -6.459 -1.822 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.876 -6.882 -1.078 1.00 0.00 C ATOM 1369 C ASN A 89 -10.181 -5.911 0.058 1.00 0.00 C ATOM 1370 O ASN A 89 -9.330 -5.131 0.486 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.674 -8.292 -0.519 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.144 -9.368 -1.478 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -10.193 -9.157 -2.690 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -10.494 -10.530 -0.938 1.00 0.00 N ATOM 0 H ASN A 89 -7.812 -6.784 -1.430 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.724 -6.888 -1.763 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.618 -8.444 -0.297 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.215 -8.387 0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.819 -11.292 -1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.437 -10.661 0.072 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.424 -5.959 0.560 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.869 -5.092 1.654 1.00 0.00 C ATOM 1383 C PRO A 90 -11.215 -5.451 2.983 1.00 0.00 C ATOM 1384 O PRO A 90 -11.406 -4.765 3.987 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.378 -5.345 1.716 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.556 -6.710 1.147 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.489 -6.864 0.098 1.00 0.00 C ATOM 0 HA PRO A 90 -11.604 -4.049 1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.747 -5.292 2.740 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.928 -4.601 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.456 -7.471 1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.549 -6.825 0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.139 -7.894 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.854 -6.584 -0.890 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.439 -6.530 2.982 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.753 -6.980 4.188 1.00 0.00 C ATOM 1397 C VAL A 91 -8.240 -6.957 4.000 1.00 0.00 C ATOM 1398 O VAL A 91 -7.484 -6.958 4.972 1.00 0.00 O ATOM 1399 CB VAL A 91 -10.189 -8.403 4.584 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -10.321 -9.284 3.350 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.205 -9.004 5.576 1.00 0.00 C ATOM 0 H VAL A 91 -10.269 -7.109 2.160 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.028 -6.289 4.985 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.165 -8.345 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.630 -10.286 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.067 -8.860 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.361 -9.338 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.528 -10.010 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.214 -9.050 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.166 -8.384 6.471 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.806 -6.936 2.746 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.382 -6.911 2.430 1.00 0.00 C ATOM 1413 C ASP A 92 -5.834 -5.489 2.502 1.00 0.00 C ATOM 1414 O ASP A 92 -4.790 -5.185 1.924 1.00 0.00 O ATOM 1415 CB ASP A 92 -6.136 -7.496 1.038 1.00 0.00 C ATOM 1416 CG ASP A 92 -6.271 -9.006 1.012 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -5.951 -9.648 2.035 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -6.697 -9.546 -0.031 1.00 0.00 O ATOM 0 H ASP A 92 -8.419 -6.936 1.931 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.861 -7.520 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.843 -7.059 0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.137 -7.218 0.701 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.545 -4.623 3.214 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.131 -3.232 3.361 1.00 0.00 C ATOM 1425 C LEU A 93 -5.782 -2.918 4.813 1.00 0.00 C ATOM 1426 O LEU A 93 -5.825 -3.795 5.676 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.239 -2.295 2.878 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.767 -2.554 1.466 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.076 -1.812 1.242 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.734 -2.142 0.426 1.00 0.00 C ATOM 0 H LEU A 93 -7.411 -4.859 3.699 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.241 -3.078 2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.074 -2.362 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.868 -1.271 2.924 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.955 -3.622 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.437 -2.008 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.817 -2.154 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.914 -0.742 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.127 -2.333 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.515 -1.080 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.820 -2.718 0.573 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.439 -1.661 5.075 1.00 0.00 N ATOM 1443 CA PHE A 94 -5.085 -1.231 6.423 1.00 0.00 C ATOM 1444 C PHE A 94 -5.424 0.242 6.631 1.00 0.00 C ATOM 1445 O PHE A 94 -5.363 1.040 5.697 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.595 -1.465 6.681 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.699 -0.585 5.855 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.412 -0.906 4.539 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.146 0.565 6.397 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.587 -0.099 3.778 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.321 1.376 5.640 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.042 1.044 4.329 1.00 0.00 C ATOM 0 H PHE A 94 -5.399 -0.923 4.372 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.666 -1.822 7.130 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.386 -1.294 7.737 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.358 -2.508 6.474 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.838 -1.797 4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.362 0.830 7.421 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.369 -0.362 2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.895 2.269 6.074 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.399 1.677 3.736 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.781 0.593 7.863 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.131 1.970 8.192 1.00 0.00 C ATOM 1464 C GLU A 95 -4.897 2.866 8.163 1.00 0.00 C ATOM 1465 O GLU A 95 -3.807 2.429 7.795 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.791 2.036 9.571 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.247 1.600 9.570 1.00 0.00 C ATOM 1468 CD GLU A 95 -8.802 1.418 10.970 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -8.632 0.317 11.535 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -9.405 2.374 11.499 1.00 0.00 O ATOM 0 H GLU A 95 -5.835 -0.056 8.648 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.836 2.328 7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.232 1.406 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.726 3.057 9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.844 2.342 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.342 0.663 9.021 1.00 0.00 H new ATOM 1477 N ALA A 96 -5.078 4.124 8.554 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.980 5.082 8.574 1.00 0.00 C ATOM 1479 C ALA A 96 -3.373 5.193 9.970 1.00 0.00 C ATOM 1480 O ALA A 96 -2.280 5.731 10.140 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.459 6.445 8.097 1.00 0.00 C ATOM 0 H ALA A 96 -5.974 4.502 8.861 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.206 4.723 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.628 7.150 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.839 6.361 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.253 6.801 8.753 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.090 4.678 10.964 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.622 4.721 12.344 1.00 0.00 C ATOM 1489 C ASN A 97 -2.697 3.545 12.641 1.00 0.00 C ATOM 1490 O ASN A 97 -1.675 3.698 13.311 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.810 4.704 13.308 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.784 5.837 13.045 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -5.668 6.918 13.621 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -6.751 5.593 12.167 1.00 0.00 N ATOM 0 H ASN A 97 -4.996 4.227 10.839 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.062 5.646 12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.332 3.751 13.220 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.444 4.773 14.332 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.435 6.317 11.947 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.809 4.682 11.713 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.061 2.371 12.136 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.263 1.168 12.346 1.00 0.00 C ATOM 1503 C ASP A 98 -0.773 1.479 12.236 1.00 0.00 C ATOM 1504 O ASP A 98 0.030 1.014 13.046 1.00 0.00 O ATOM 1505 CB ASP A 98 -2.648 0.092 11.329 1.00 0.00 C ATOM 1506 CG ASP A 98 -2.664 0.616 9.907 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -1.620 1.131 9.454 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -3.720 0.514 9.248 1.00 0.00 O ATOM 0 H ASP A 98 -3.903 2.227 11.579 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.466 0.797 13.351 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.945 -0.738 11.399 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.633 -0.303 11.578 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.411 2.265 11.228 1.00 0.00 N ATOM 1514 CA LEU A 99 0.983 2.638 11.012 1.00 0.00 C ATOM 1515 C LEU A 99 1.337 3.900 11.791 1.00 0.00 C ATOM 1516 O LEU A 99 2.294 3.916 12.565 1.00 0.00 O ATOM 1517 CB LEU A 99 1.248 2.855 9.520 1.00 0.00 C ATOM 1518 CG LEU A 99 2.713 3.014 9.114 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.436 1.678 9.187 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.818 3.604 7.716 1.00 0.00 C ATOM 0 H LEU A 99 -1.063 2.656 10.548 1.00 0.00 H new ATOM 0 HA LEU A 99 1.611 1.823 11.372 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.829 2.012 8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.705 3.745 9.201 1.00 0.00 H new ATOM 0 HG LEU A 99 3.191 3.700 9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.477 1.811 8.894 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.392 1.296 10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.958 0.968 8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.868 3.710 7.444 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.324 2.943 7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.338 4.582 7.697 1.00 0.00 H new ATOM 1532 N PHE A 100 0.558 4.956 11.583 1.00 0.00 N ATOM 1533 CA PHE A 100 0.789 6.223 12.267 1.00 0.00 C ATOM 1534 C PHE A 100 1.177 5.991 13.725 1.00 0.00 C ATOM 1535 O PHE A 100 2.278 6.342 14.147 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.462 7.102 12.195 1.00 0.00 C ATOM 1537 CG PHE A 100 -0.216 8.529 12.593 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.795 9.264 11.996 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.997 9.135 13.564 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.023 10.578 12.360 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.772 10.448 13.932 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.239 11.170 13.330 1.00 0.00 C ATOM 0 H PHE A 100 -0.239 4.960 10.946 1.00 0.00 H new ATOM 0 HA PHE A 100 1.612 6.732 11.766 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.854 7.079 11.178 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.231 6.680 12.843 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.412 8.805 11.238 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.790 8.575 14.038 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.814 11.141 11.886 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.387 10.909 14.691 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.416 12.196 13.617 1.00 0.00 H new ATOM 1552 N GLU A 101 0.264 5.398 14.487 1.00 0.00 N ATOM 1553 CA GLU A 101 0.510 5.120 15.897 1.00 0.00 C ATOM 1554 C GLU A 101 0.801 3.639 16.117 1.00 0.00 C ATOM 1555 O GLU A 101 0.400 3.060 17.128 1.00 0.00 O ATOM 1556 CB GLU A 101 -0.693 5.547 16.741 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.012 7.029 16.643 1.00 0.00 C ATOM 1558 CD GLU A 101 -0.281 7.853 17.686 1.00 0.00 C ATOM 1559 OE1 GLU A 101 0.968 7.864 17.665 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -0.958 8.486 18.523 1.00 0.00 O ATOM 0 H GLU A 101 -0.652 5.101 14.152 1.00 0.00 H new ATOM 0 HA GLU A 101 1.384 5.693 16.207 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.566 4.975 16.428 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.502 5.293 17.784 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.746 7.389 15.649 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.086 7.174 16.758 1.00 0.00 H new ATOM 1567 N SER A 102 1.502 3.032 15.165 1.00 0.00 N ATOM 1568 CA SER A 102 1.843 1.617 15.252 1.00 0.00 C ATOM 1569 C SER A 102 0.667 0.806 15.788 1.00 0.00 C ATOM 1570 O SER A 102 0.851 -0.244 16.402 1.00 0.00 O ATOM 1571 CB SER A 102 3.065 1.420 16.151 1.00 0.00 C ATOM 1572 OG SER A 102 2.765 1.744 17.498 1.00 0.00 O ATOM 0 H SER A 102 1.845 3.498 14.325 1.00 0.00 H new ATOM 0 HA SER A 102 2.078 1.263 14.248 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.403 0.386 16.089 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.885 2.045 15.797 1.00 0.00 H new ATOM 0 HG SER A 102 1.868 2.136 17.548 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.544 1.303 15.551 1.00 0.00 N ATOM 1579 CA GLY A 103 -1.732 0.614 16.016 1.00 0.00 C ATOM 1580 C GLY A 103 -1.815 -0.810 15.502 1.00 0.00 C ATOM 1581 O GLY A 103 -2.566 -1.627 16.035 1.00 0.00 O ATOM 0 H GLY A 103 -0.722 2.171 15.045 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.740 0.605 17.106 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.616 1.165 15.696 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.043 -1.109 14.462 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.035 -2.443 13.873 1.00 0.00 C ATOM 1587 C ASN A 104 0.014 -2.544 12.771 1.00 0.00 C ATOM 1588 O ASN A 104 -0.101 -1.898 11.729 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.417 -2.783 13.312 1.00 0.00 C ATOM 1590 CG ASN A 104 -2.671 -4.277 13.269 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -1.736 -5.078 13.286 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -3.942 -4.660 13.214 1.00 0.00 N ATOM 0 H ASN A 104 -0.415 -0.445 14.010 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.783 -3.158 14.656 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.182 -2.304 13.923 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.509 -2.372 12.307 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.175 -5.653 13.184 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.685 -3.961 13.202 1.00 0.00 H new ATOM 1599 N MET A 105 1.037 -3.359 13.008 1.00 0.00 N ATOM 1600 CA MET A 105 2.106 -3.547 12.033 1.00 0.00 C ATOM 1601 C MET A 105 1.911 -4.845 11.256 1.00 0.00 C ATOM 1602 O MET A 105 2.715 -5.189 10.389 1.00 0.00 O ATOM 1603 CB MET A 105 3.466 -3.557 12.732 1.00 0.00 C ATOM 1604 CG MET A 105 4.108 -2.182 12.833 1.00 0.00 C ATOM 1605 SD MET A 105 5.174 -1.810 11.426 1.00 0.00 S ATOM 1606 CE MET A 105 3.955 -1.520 10.145 1.00 0.00 C ATOM 0 H MET A 105 1.148 -3.899 13.866 1.00 0.00 H new ATOM 0 HA MET A 105 2.073 -2.715 11.330 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.347 -3.968 13.735 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.138 -4.224 12.192 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.327 -1.425 12.903 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.692 -2.124 13.752 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.417 -0.978 9.319 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.573 -2.475 9.784 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.133 -0.930 10.551 1.00 0.00 H new ATOM 1616 N THR A 106 0.839 -5.564 11.573 1.00 0.00 N ATOM 1617 CA THR A 106 0.539 -6.826 10.906 1.00 0.00 C ATOM 1618 C THR A 106 -0.439 -6.620 9.755 1.00 0.00 C ATOM 1619 O THR A 106 -0.372 -7.314 8.741 1.00 0.00 O ATOM 1620 CB THR A 106 -0.049 -7.855 11.888 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.465 -7.669 12.003 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.597 -7.727 13.259 1.00 0.00 C ATOM 0 H THR A 106 0.163 -5.294 12.288 1.00 0.00 H new ATOM 0 HA THR A 106 1.481 -7.208 10.514 1.00 0.00 H new ATOM 0 HB THR A 106 0.156 -8.853 11.500 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.648 -6.815 12.447 1.00 0.00 H new ATOM 0 HG21 THR A 106 0.165 -8.465 13.935 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.670 -7.898 13.173 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.420 -6.726 13.653 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.346 -5.663 9.920 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.338 -5.368 8.893 1.00 0.00 C ATOM 1632 C GLN A 107 -1.705 -4.623 7.722 1.00 0.00 C ATOM 1633 O GLN A 107 -2.080 -4.829 6.567 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.481 -4.538 9.483 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.693 -4.437 8.570 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.332 -5.785 8.299 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -5.860 -6.429 9.206 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.289 -6.219 7.045 1.00 0.00 N ATOM 0 H GLN A 107 -1.415 -5.079 10.754 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.736 -6.314 8.525 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.787 -4.979 10.432 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.116 -3.534 9.701 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.430 -3.774 9.023 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.395 -3.984 7.625 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.841 -5.653 6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.704 -7.119 6.802 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.745 -3.757 8.028 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.059 -2.982 6.999 1.00 0.00 C ATOM 1649 C VAL A 108 0.994 -3.824 6.288 1.00 0.00 C ATOM 1650 O VAL A 108 1.367 -3.537 5.151 1.00 0.00 O ATOM 1651 CB VAL A 108 0.617 -1.734 7.597 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.372 -0.969 6.519 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.414 -0.842 8.272 1.00 0.00 C ATOM 0 H VAL A 108 -0.424 -3.574 8.979 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.816 -2.669 6.280 1.00 0.00 H new ATOM 0 HB VAL A 108 1.335 -2.056 8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.843 -0.090 6.959 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.137 -1.612 6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.677 -0.656 5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.081 0.035 8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.157 -0.526 7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.906 -1.395 9.072 1.00 0.00 H new ATOM 1663 N GLN A 109 1.466 -4.867 6.964 1.00 0.00 N ATOM 1664 CA GLN A 109 2.477 -5.751 6.395 1.00 0.00 C ATOM 1665 C GLN A 109 1.872 -6.647 5.320 1.00 0.00 C ATOM 1666 O GLN A 109 2.367 -6.705 4.193 1.00 0.00 O ATOM 1667 CB GLN A 109 3.112 -6.608 7.492 1.00 0.00 C ATOM 1668 CG GLN A 109 4.230 -7.507 6.990 1.00 0.00 C ATOM 1669 CD GLN A 109 5.251 -7.821 8.065 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.264 -7.199 9.127 1.00 0.00 O ATOM 1671 NE2 GLN A 109 6.117 -8.792 7.794 1.00 0.00 N ATOM 0 H GLN A 109 1.165 -5.120 7.905 1.00 0.00 H new ATOM 0 HA GLN A 109 3.248 -5.132 5.936 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.505 -5.954 8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.340 -7.225 7.953 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.803 -8.438 6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.729 -7.025 6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.071 -9.282 6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.828 -9.047 8.479 1.00 0.00 H new ATOM 1680 N VAL A 110 0.798 -7.347 5.675 1.00 0.00 N ATOM 1681 CA VAL A 110 0.124 -8.241 4.740 1.00 0.00 C ATOM 1682 C VAL A 110 -0.359 -7.484 3.507 1.00 0.00 C ATOM 1683 O VAL A 110 -0.257 -7.977 2.384 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.077 -8.943 5.400 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -0.611 -9.836 6.541 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.087 -7.918 5.894 1.00 0.00 C ATOM 0 H VAL A 110 0.376 -7.312 6.603 1.00 0.00 H new ATOM 0 HA VAL A 110 0.854 -8.993 4.439 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.565 -9.570 4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.473 -10.324 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 110 0.073 -10.592 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.099 -9.232 7.290 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.929 -8.431 6.358 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.613 -7.264 6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.443 -7.323 5.053 1.00 0.00 H new ATOM 1696 N SER A 111 -0.884 -6.283 3.726 1.00 0.00 N ATOM 1697 CA SER A 111 -1.386 -5.459 2.631 1.00 0.00 C ATOM 1698 C SER A 111 -0.366 -5.376 1.500 1.00 0.00 C ATOM 1699 O SER A 111 -0.706 -5.540 0.328 1.00 0.00 O ATOM 1700 CB SER A 111 -1.719 -4.053 3.137 1.00 0.00 C ATOM 1701 OG SER A 111 -2.654 -3.414 2.284 1.00 0.00 O ATOM 0 H SER A 111 -0.973 -5.859 4.649 1.00 0.00 H new ATOM 0 HA SER A 111 -2.293 -5.924 2.244 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.125 -4.113 4.147 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.808 -3.458 3.194 1.00 0.00 H new ATOM 0 HG SER A 111 -3.404 -4.020 2.108 1.00 0.00 H new ATOM 1707 N LEU A 112 0.887 -5.120 1.860 1.00 0.00 N ATOM 1708 CA LEU A 112 1.960 -5.016 0.877 1.00 0.00 C ATOM 1709 C LEU A 112 2.251 -6.373 0.243 1.00 0.00 C ATOM 1710 O LEU A 112 2.409 -6.480 -0.975 1.00 0.00 O ATOM 1711 CB LEU A 112 3.227 -4.463 1.532 1.00 0.00 C ATOM 1712 CG LEU A 112 3.084 -3.113 2.236 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.379 -2.739 2.941 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.684 -2.033 1.242 1.00 0.00 C ATOM 0 H LEU A 112 1.185 -4.981 2.825 1.00 0.00 H new ATOM 0 HA LEU A 112 1.636 -4.332 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.585 -5.193 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.997 -4.371 0.766 1.00 0.00 H new ATOM 0 HG LEU A 112 2.298 -3.197 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.258 -1.776 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.623 -3.500 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.185 -2.673 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.587 -1.079 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.448 -1.949 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.731 -2.296 0.784 1.00 0.00 H new ATOM 1726 N LEU A 113 2.319 -7.406 1.074 1.00 0.00 N ATOM 1727 CA LEU A 113 2.590 -8.757 0.595 1.00 0.00 C ATOM 1728 C LEU A 113 1.517 -9.210 -0.390 1.00 0.00 C ATOM 1729 O LEU A 113 1.778 -10.024 -1.276 1.00 0.00 O ATOM 1730 CB LEU A 113 2.662 -9.732 1.772 1.00 0.00 C ATOM 1731 CG LEU A 113 3.964 -9.719 2.575 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.809 -10.528 3.853 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.113 -10.260 1.736 1.00 0.00 C ATOM 0 H LEU A 113 2.190 -7.335 2.083 1.00 0.00 H new ATOM 0 HA LEU A 113 3.550 -8.748 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.838 -9.513 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.503 -10.741 1.392 1.00 0.00 H new ATOM 0 HG LEU A 113 4.192 -8.688 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.745 -10.508 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.013 -10.098 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.558 -11.559 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.031 -10.243 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.893 -11.284 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.239 -9.640 0.848 1.00 0.00 H new ATOM 1745 N ALA A 114 0.311 -8.675 -0.231 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.799 -9.021 -1.110 1.00 0.00 C ATOM 1747 C ALA A 114 -0.850 -8.096 -2.322 1.00 0.00 C ATOM 1748 O ALA A 114 -1.214 -8.516 -3.421 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.114 -8.964 -0.346 1.00 0.00 C ATOM 0 H ALA A 114 0.078 -8.001 0.498 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.642 -10.038 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.935 -9.225 -1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.084 -9.670 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.267 -7.956 0.041 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.483 -6.837 -2.114 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.486 -5.851 -3.190 1.00 0.00 C ATOM 1757 C LEU A 115 0.653 -6.112 -4.171 1.00 0.00 C ATOM 1758 O LEU A 115 0.512 -5.891 -5.373 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.367 -4.439 -2.616 1.00 0.00 C ATOM 1760 CG LEU A 115 0.115 -3.359 -3.585 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -1.059 -2.769 -4.353 1.00 0.00 C ATOM 1762 CD2 LEU A 115 0.867 -2.268 -2.837 1.00 0.00 C ATOM 0 H LEU A 115 -0.179 -6.474 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.431 -5.939 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.342 -4.143 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.317 -4.470 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 115 0.798 -3.818 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.697 -2.002 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.556 -3.557 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.766 -2.325 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.203 -1.508 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.207 -1.812 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.731 -2.702 -2.333 1.00 0.00 H new ATOM 1774 N ALA A 116 1.780 -6.585 -3.649 1.00 0.00 N ATOM 1775 CA ALA A 116 2.942 -6.879 -4.478 1.00 0.00 C ATOM 1776 C ALA A 116 2.657 -8.037 -5.430 1.00 0.00 C ATOM 1777 O ALA A 116 2.729 -7.884 -6.648 1.00 0.00 O ATOM 1778 CB ALA A 116 4.146 -7.195 -3.605 1.00 0.00 C ATOM 0 H ALA A 116 1.913 -6.773 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 116 3.164 -5.996 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.007 -7.413 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.370 -6.338 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.926 -8.061 -2.981 1.00 0.00 H new ATOM 1784 N GLY A 117 2.335 -9.197 -4.864 1.00 0.00 N ATOM 1785 CA GLY A 117 2.046 -10.364 -5.677 1.00 0.00 C ATOM 1786 C GLY A 117 1.189 -10.032 -6.882 1.00 0.00 C ATOM 1787 O GLY A 117 1.366 -10.606 -7.957 1.00 0.00 O ATOM 0 H GLY A 117 2.269 -9.349 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.982 -10.810 -6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.537 -11.111 -5.068 1.00 0.00 H new ATOM 1791 N LYS A 118 0.253 -9.105 -6.705 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.636 -8.698 -7.785 1.00 0.00 C ATOM 1793 C LYS A 118 0.073 -7.748 -8.746 1.00 0.00 C ATOM 1794 O LYS A 118 -0.040 -7.884 -9.963 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.887 -8.026 -7.217 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.770 -7.387 -8.277 1.00 0.00 C ATOM 1797 CD LYS A 118 -4.231 -7.389 -7.862 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.481 -6.438 -6.700 1.00 0.00 C ATOM 1799 NZ LYS A 118 -4.318 -7.116 -5.384 1.00 0.00 N ATOM 0 H LYS A 118 0.091 -8.621 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.929 -9.591 -8.336 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.470 -8.766 -6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.585 -7.263 -6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.443 -6.363 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.658 -7.925 -9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.852 -7.100 -8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.529 -8.398 -7.578 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.790 -5.597 -6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.489 -6.029 -6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.162 -6.948 -4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.198 -8.138 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.480 -6.736 -4.899 1.00 0.00 H new ATOM 1813 N ALA A 119 0.805 -6.789 -8.188 1.00 0.00 N ATOM 1814 CA ALA A 119 1.536 -5.820 -8.996 1.00 0.00 C ATOM 1815 C ALA A 119 2.538 -6.513 -9.912 1.00 0.00 C ATOM 1816 O ALA A 119 2.854 -6.016 -10.993 1.00 0.00 O ATOM 1817 CB ALA A 119 2.244 -4.815 -8.100 1.00 0.00 C ATOM 0 H ALA A 119 0.908 -6.662 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 119 0.818 -5.290 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.786 -4.097 -8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.509 -4.289 -7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.945 -5.338 -7.450 1.00 0.00 H new