USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 576 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 65 ASN : amide:sc= -1.2 K(o=-0.8,f=-6.9!) USER MOD Set 1.2: A 67 SER OG : rot 93:sc= 0.397 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 65:sc= -1.19 USER MOD Single : A 22 MET CE :methyl -179:sc= 0 (180deg=-0.00586) USER MOD Single : A 23 THR OG1 : rot -54:sc= 0.781 USER MOD Single : A 24 THR OG1 : rot -70:sc= -1.19 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -0.0231 (180deg=-0.197) USER MOD Single : A 36 THR OG1 : rot -60:sc= 1.12 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 58 ASN : amide:sc= -0.629 K(o=-0.63,f=-4.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -171:sc= -0.388 (180deg=-0.822) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.084) USER MOD Single : A 74 GLN : amide:sc= -0.589 K(o=-0.59,f=-3.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -56:sc= 1.14 USER MOD Single : A 78 GLN : amide:sc= -0.252 X(o=-0.25,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -141:sc= 0.052 (180deg=-0.649) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 85 THR OG1 : rot 34:sc= 0.69 USER MOD ----------------------------------------------------------------- ATOM 178 N TYR A 12 -14.116 -9.249 -8.114 1.00 0.00 N ATOM 179 CA TYR A 12 -12.935 -8.856 -8.875 1.00 0.00 C ATOM 180 C TYR A 12 -11.659 -9.322 -8.179 1.00 0.00 C ATOM 181 O TYR A 12 -11.088 -8.600 -7.363 1.00 0.00 O ATOM 182 CB TYR A 12 -12.897 -7.336 -9.069 1.00 0.00 C ATOM 183 CG TYR A 12 -13.528 -6.550 -7.940 1.00 0.00 C ATOM 184 CD1 TYR A 12 -12.848 -6.337 -6.746 1.00 0.00 C ATOM 185 CD2 TYR A 12 -14.804 -6.017 -8.068 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.421 -5.619 -5.715 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.384 -5.296 -7.042 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.689 -5.100 -5.867 1.00 0.00 C ATOM 189 OH TYR A 12 -15.263 -4.384 -4.843 1.00 0.00 O ATOM 0 HA TYR A 12 -12.994 -9.335 -9.852 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.859 -7.021 -9.180 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.407 -7.087 -9.999 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.854 -6.740 -6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.353 -6.169 -8.986 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.878 -5.465 -4.794 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.377 -4.888 -7.160 1.00 0.00 H new ATOM 0 HH TYR A 12 -16.158 -4.088 -5.112 1.00 0.00 H new ATOM 199 N PRO A 13 -11.194 -10.541 -8.491 1.00 0.00 N ATOM 200 CA PRO A 13 -9.990 -11.103 -7.895 1.00 0.00 C ATOM 201 C PRO A 13 -8.739 -10.803 -8.712 1.00 0.00 C ATOM 202 O PRO A 13 -8.140 -11.702 -9.302 1.00 0.00 O ATOM 203 CB PRO A 13 -10.302 -12.593 -7.909 1.00 0.00 C ATOM 204 CG PRO A 13 -11.095 -12.794 -9.160 1.00 0.00 C ATOM 205 CD PRO A 13 -11.808 -11.486 -9.443 1.00 0.00 C ATOM 0 HA PRO A 13 -9.772 -10.694 -6.909 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.390 -13.190 -7.916 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.870 -12.889 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.444 -13.067 -9.991 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.812 -13.606 -9.037 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.663 -11.166 -10.475 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -12.883 -11.573 -9.284 1.00 0.00 H new ATOM 213 N CYS A 14 -8.349 -9.533 -8.743 1.00 0.00 N ATOM 214 CA CYS A 14 -7.168 -9.116 -9.491 1.00 0.00 C ATOM 215 C CYS A 14 -6.433 -7.989 -8.772 1.00 0.00 C ATOM 216 O CYS A 14 -6.949 -7.408 -7.817 1.00 0.00 O ATOM 217 CB CYS A 14 -7.562 -8.669 -10.901 1.00 0.00 C ATOM 218 SG CYS A 14 -7.092 -9.833 -12.202 1.00 0.00 S ATOM 0 H CYS A 14 -8.832 -8.776 -8.260 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.496 -9.971 -9.563 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.641 -8.519 -10.935 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.099 -7.704 -11.107 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.469 -9.369 -13.356 1.00 0.00 H new ATOM 224 N LEU A 15 -5.226 -7.684 -9.240 1.00 0.00 N ATOM 225 CA LEU A 15 -4.420 -6.625 -8.644 1.00 0.00 C ATOM 226 C LEU A 15 -5.019 -5.255 -8.940 1.00 0.00 C ATOM 227 O LEU A 15 -4.976 -4.780 -10.075 1.00 0.00 O ATOM 228 CB LEU A 15 -2.984 -6.694 -9.169 1.00 0.00 C ATOM 229 CG LEU A 15 -2.034 -7.568 -8.349 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.741 -6.920 -7.002 1.00 0.00 C ATOM 231 CD2 LEU A 15 -2.621 -8.959 -8.160 1.00 0.00 C ATOM 0 H LEU A 15 -4.785 -8.155 -10.030 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.411 -6.771 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.006 -7.069 -10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.579 -5.683 -9.209 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.095 -7.663 -8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.063 -7.556 -6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.278 -5.946 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.672 -6.794 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.932 -9.568 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.574 -8.884 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.778 -9.423 -9.134 1.00 0.00 H new ATOM 243 N TRP A 16 -5.578 -4.624 -7.913 1.00 0.00 N ATOM 244 CA TRP A 16 -6.186 -3.308 -8.065 1.00 0.00 C ATOM 245 C TRP A 16 -5.306 -2.226 -7.447 1.00 0.00 C ATOM 246 O TRP A 16 -4.761 -2.404 -6.357 1.00 0.00 O ATOM 247 CB TRP A 16 -7.572 -3.287 -7.417 1.00 0.00 C ATOM 248 CG TRP A 16 -8.442 -2.172 -7.909 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.977 -1.160 -7.164 1.00 0.00 C ATOM 250 CD2 TRP A 16 -8.879 -1.954 -9.255 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.720 -0.327 -7.964 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.675 -0.793 -9.252 1.00 0.00 C ATOM 253 CE3 TRP A 16 -8.675 -2.628 -10.463 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -10.266 -0.291 -10.410 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -9.262 -2.130 -11.611 1.00 0.00 C ATOM 256 CH2 TRP A 16 -10.049 -0.971 -11.578 1.00 0.00 C ATOM 0 H TRP A 16 -5.622 -5.003 -6.967 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.287 -3.103 -9.131 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.069 -4.238 -7.609 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.458 -3.200 -6.336 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.836 -1.033 -6.101 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.223 0.503 -7.651 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.070 -3.522 -10.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.873 0.602 -10.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.112 -2.643 -12.549 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.493 -0.607 -12.493 1.00 0.00 H new ATOM 267 N ASP A 17 -5.174 -1.106 -8.150 1.00 0.00 N ATOM 268 CA ASP A 17 -4.362 0.006 -7.669 1.00 0.00 C ATOM 269 C ASP A 17 -5.199 0.966 -6.830 1.00 0.00 C ATOM 270 O ASP A 17 -6.403 1.104 -7.045 1.00 0.00 O ATOM 271 CB ASP A 17 -3.735 0.755 -8.847 1.00 0.00 C ATOM 272 CG ASP A 17 -3.081 -0.181 -9.846 1.00 0.00 C ATOM 273 OD1 ASP A 17 -3.805 -0.740 -10.695 1.00 0.00 O ATOM 274 OD2 ASP A 17 -1.847 -0.354 -9.778 1.00 0.00 O ATOM 0 H ASP A 17 -5.618 -0.944 -9.054 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.568 -0.401 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.503 1.341 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.992 1.459 -8.472 1.00 0.00 H new ATOM 279 N TYR A 18 -4.554 1.625 -5.872 1.00 0.00 N ATOM 280 CA TYR A 18 -5.243 2.570 -5.002 1.00 0.00 C ATOM 281 C TYR A 18 -4.508 3.906 -4.956 1.00 0.00 C ATOM 282 O TYR A 18 -3.419 4.007 -4.391 1.00 0.00 O ATOM 283 CB TYR A 18 -5.369 1.996 -3.589 1.00 0.00 C ATOM 284 CG TYR A 18 -6.269 0.783 -3.504 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.637 0.894 -3.717 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.751 -0.471 -3.209 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.463 -0.211 -3.638 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.570 -1.582 -3.129 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.926 -1.446 -3.345 1.00 0.00 C ATOM 290 OH TYR A 18 -8.744 -2.549 -3.267 1.00 0.00 O ATOM 0 H TYR A 18 -3.558 1.522 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.240 2.739 -5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.377 1.728 -3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.753 2.770 -2.925 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.062 1.860 -3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.690 -0.580 -3.039 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.525 -0.107 -3.805 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.151 -2.550 -2.899 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.133 -2.731 -4.148 1.00 0.00 H new ATOM 300 N ARG A 19 -5.111 4.929 -5.554 1.00 0.00 N ATOM 301 CA ARG A 19 -4.513 6.260 -5.580 1.00 0.00 C ATOM 302 C ARG A 19 -4.674 6.949 -4.228 1.00 0.00 C ATOM 303 O ARG A 19 -5.747 7.453 -3.901 1.00 0.00 O ATOM 304 CB ARG A 19 -5.156 7.110 -6.678 1.00 0.00 C ATOM 305 CG ARG A 19 -4.230 8.176 -7.241 1.00 0.00 C ATOM 306 CD ARG A 19 -3.068 7.557 -8.000 1.00 0.00 C ATOM 307 NE ARG A 19 -3.522 6.688 -9.084 1.00 0.00 N ATOM 308 CZ ARG A 19 -3.914 7.131 -10.275 1.00 0.00 C ATOM 309 NH1 ARG A 19 -3.908 8.431 -10.545 1.00 0.00 N ATOM 310 NH2 ARG A 19 -4.312 6.271 -11.203 1.00 0.00 N ATOM 0 H ARG A 19 -6.012 4.862 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.449 6.152 -5.792 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.481 6.457 -7.488 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.049 7.590 -6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.791 8.834 -7.905 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.848 8.794 -6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.440 8.348 -8.409 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.449 6.983 -7.310 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.539 5.682 -8.917 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.601 9.098 -9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.210 8.763 -11.461 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.317 5.271 -11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.613 6.610 -12.117 1.00 0.00 H new ATOM 324 N VAL A 20 -3.600 6.962 -3.446 1.00 0.00 N ATOM 325 CA VAL A 20 -3.622 7.584 -2.128 1.00 0.00 C ATOM 326 C VAL A 20 -2.539 8.649 -1.998 1.00 0.00 C ATOM 327 O VAL A 20 -1.359 8.374 -2.214 1.00 0.00 O ATOM 328 CB VAL A 20 -3.425 6.542 -1.012 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.688 7.161 0.351 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.326 5.336 -1.240 1.00 0.00 C ATOM 0 H VAL A 20 -2.703 6.549 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.602 8.049 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.389 6.203 -1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.544 6.409 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.997 7.988 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.712 7.531 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.172 4.611 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.368 5.656 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.084 4.877 -2.198 1.00 0.00 H new ATOM 340 N ILE A 21 -2.946 9.862 -1.638 1.00 0.00 N ATOM 341 CA ILE A 21 -2.004 10.964 -1.472 1.00 0.00 C ATOM 342 C ILE A 21 -1.934 11.405 -0.015 1.00 0.00 C ATOM 343 O ILE A 21 -2.952 11.463 0.673 1.00 0.00 O ATOM 344 CB ILE A 21 -2.382 12.182 -2.341 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.933 11.751 -3.709 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.178 13.096 -2.515 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.174 10.615 -4.367 1.00 0.00 C ATOM 0 H ILE A 21 -3.919 10.107 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.031 10.592 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.172 12.729 -1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.974 11.453 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.923 12.612 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.457 13.952 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.842 13.445 -1.539 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.372 12.547 -3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.633 10.378 -5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.137 10.913 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.205 9.736 -3.723 1.00 0.00 H new ATOM 359 N MET A 22 -0.729 11.718 0.448 1.00 0.00 N ATOM 360 CA MET A 22 -0.529 12.155 1.821 1.00 0.00 C ATOM 361 C MET A 22 -0.031 13.590 1.856 1.00 0.00 C ATOM 362 O MET A 22 0.683 14.033 0.957 1.00 0.00 O ATOM 363 CB MET A 22 0.471 11.241 2.534 1.00 0.00 C ATOM 364 CG MET A 22 0.556 9.838 1.952 1.00 0.00 C ATOM 365 SD MET A 22 1.887 9.664 0.749 1.00 0.00 S ATOM 366 CE MET A 22 3.241 9.167 1.811 1.00 0.00 C ATOM 0 H MET A 22 0.124 11.677 -0.110 1.00 0.00 H new ATOM 0 HA MET A 22 -1.487 12.102 2.338 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.459 11.700 2.493 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.195 11.170 3.586 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.706 9.122 2.760 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.393 9.588 1.477 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.143 9.037 1.213 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.413 9.935 2.565 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.992 8.226 2.301 1.00 0.00 H new ATOM 376 N THR A 23 -0.406 14.312 2.903 1.00 0.00 N ATOM 377 CA THR A 23 0.013 15.698 3.058 1.00 0.00 C ATOM 378 C THR A 23 0.671 15.912 4.414 1.00 0.00 C ATOM 379 O THR A 23 0.117 16.579 5.288 1.00 0.00 O ATOM 380 CB THR A 23 -1.181 16.640 2.896 1.00 0.00 C ATOM 381 OG1 THR A 23 -0.853 17.948 3.331 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.403 16.193 3.670 1.00 0.00 C ATOM 0 H THR A 23 -0.998 13.962 3.656 1.00 0.00 H new ATOM 0 HA THR A 23 0.743 15.922 2.280 1.00 0.00 H new ATOM 0 HB THR A 23 -1.417 16.626 1.832 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.505 17.911 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.214 16.904 3.512 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.713 15.207 3.323 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.164 16.145 4.732 1.00 0.00 H new ATOM 390 N THR A 24 1.857 15.339 4.582 1.00 0.00 N ATOM 391 CA THR A 24 2.595 15.465 5.834 1.00 0.00 C ATOM 392 C THR A 24 4.086 15.648 5.575 1.00 0.00 C ATOM 393 O THR A 24 4.623 15.147 4.589 1.00 0.00 O ATOM 394 CB THR A 24 2.364 14.237 6.713 1.00 0.00 C ATOM 395 OG1 THR A 24 1.161 13.580 6.353 1.00 0.00 O ATOM 396 CG2 THR A 24 2.284 14.565 8.189 1.00 0.00 C ATOM 0 H THR A 24 2.328 14.783 3.868 1.00 0.00 H new ATOM 0 HA THR A 24 2.226 16.349 6.354 1.00 0.00 H new ATOM 0 HB THR A 24 3.229 13.595 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.395 14.133 6.615 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.119 13.649 8.757 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.217 15.028 8.510 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.458 15.254 8.364 1.00 0.00 H new ATOM 404 N LYS A 25 4.750 16.371 6.473 1.00 0.00 N ATOM 405 CA LYS A 25 6.181 16.622 6.348 1.00 0.00 C ATOM 406 C LYS A 25 6.999 15.496 6.979 1.00 0.00 C ATOM 407 O LYS A 25 8.201 15.386 6.741 1.00 0.00 O ATOM 408 CB LYS A 25 6.545 17.958 6.999 1.00 0.00 C ATOM 409 CG LYS A 25 6.254 18.007 8.490 1.00 0.00 C ATOM 410 CD LYS A 25 4.932 18.699 8.779 1.00 0.00 C ATOM 411 CE LYS A 25 4.997 19.510 10.064 1.00 0.00 C ATOM 412 NZ LYS A 25 3.684 20.129 10.396 1.00 0.00 N ATOM 0 H LYS A 25 4.319 16.793 7.295 1.00 0.00 H new ATOM 0 HA LYS A 25 6.420 16.663 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.605 18.155 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.993 18.757 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.230 16.993 8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.060 18.533 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.673 19.354 7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.140 17.954 8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.313 18.866 10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.751 20.290 9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.770 20.673 11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.394 20.764 9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.969 19.383 10.517 1.00 0.00 H new ATOM 426 N ASP A 26 6.343 14.668 7.784 1.00 0.00 N ATOM 427 CA ASP A 26 7.015 13.557 8.447 1.00 0.00 C ATOM 428 C ASP A 26 6.571 12.223 7.856 1.00 0.00 C ATOM 429 O ASP A 26 6.289 11.272 8.586 1.00 0.00 O ATOM 430 CB ASP A 26 6.727 13.592 9.946 1.00 0.00 C ATOM 431 CG ASP A 26 7.612 12.641 10.730 1.00 0.00 C ATOM 432 OD1 ASP A 26 8.848 12.713 10.570 1.00 0.00 O ATOM 433 OD2 ASP A 26 7.068 11.825 11.504 1.00 0.00 O ATOM 0 H ASP A 26 5.348 14.745 7.993 1.00 0.00 H new ATOM 0 HA ASP A 26 8.088 13.659 8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.871 14.607 10.317 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.682 13.336 10.118 1.00 0.00 H new ATOM 438 N THR A 27 6.516 12.158 6.530 1.00 0.00 N ATOM 439 CA THR A 27 6.108 10.939 5.840 1.00 0.00 C ATOM 440 C THR A 27 7.239 9.913 5.807 1.00 0.00 C ATOM 441 O THR A 27 7.051 8.787 5.345 1.00 0.00 O ATOM 442 CB THR A 27 5.661 11.264 4.414 1.00 0.00 C ATOM 443 OG1 THR A 27 6.737 11.790 3.656 1.00 0.00 O ATOM 444 CG2 THR A 27 4.527 12.265 4.355 1.00 0.00 C ATOM 0 H THR A 27 6.749 12.935 5.911 1.00 0.00 H new ATOM 0 HA THR A 27 5.273 10.507 6.392 1.00 0.00 H new ATOM 0 HB THR A 27 5.312 10.318 4.000 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.430 11.989 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.259 12.451 3.315 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.663 11.867 4.887 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.841 13.199 4.821 1.00 0.00 H new ATOM 452 N SER A 28 8.415 10.302 6.298 1.00 0.00 N ATOM 453 CA SER A 28 9.570 9.408 6.320 1.00 0.00 C ATOM 454 C SER A 28 9.223 8.079 6.985 1.00 0.00 C ATOM 455 O SER A 28 9.782 7.038 6.643 1.00 0.00 O ATOM 456 CB SER A 28 10.737 10.070 7.054 1.00 0.00 C ATOM 457 OG SER A 28 11.178 11.231 6.370 1.00 0.00 O ATOM 0 H SER A 28 8.592 11.229 6.685 1.00 0.00 H new ATOM 0 HA SER A 28 9.862 9.209 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.431 10.335 8.066 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.561 9.363 7.145 1.00 0.00 H new ATOM 0 HG SER A 28 11.923 11.636 6.860 1.00 0.00 H new ATOM 463 N THR A 29 8.295 8.125 7.936 1.00 0.00 N ATOM 464 CA THR A 29 7.871 6.923 8.647 1.00 0.00 C ATOM 465 C THR A 29 7.050 6.015 7.736 1.00 0.00 C ATOM 466 O THR A 29 7.017 4.798 7.924 1.00 0.00 O ATOM 467 CB THR A 29 7.053 7.299 9.885 1.00 0.00 C ATOM 468 OG1 THR A 29 6.455 6.150 10.457 1.00 0.00 O ATOM 469 CG2 THR A 29 5.952 8.295 9.594 1.00 0.00 C ATOM 0 H THR A 29 7.823 8.979 8.232 1.00 0.00 H new ATOM 0 HA THR A 29 8.763 6.382 8.961 1.00 0.00 H new ATOM 0 HB THR A 29 7.763 7.759 10.573 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.938 6.410 11.248 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.411 8.518 10.514 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.387 9.212 9.197 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.264 7.873 8.862 1.00 0.00 H new ATOM 477 N LEU A 30 6.390 6.612 6.749 1.00 0.00 N ATOM 478 CA LEU A 30 5.572 5.856 5.809 1.00 0.00 C ATOM 479 C LEU A 30 6.440 5.213 4.734 1.00 0.00 C ATOM 480 O LEU A 30 6.259 4.046 4.391 1.00 0.00 O ATOM 481 CB LEU A 30 4.527 6.771 5.164 1.00 0.00 C ATOM 482 CG LEU A 30 3.077 6.471 5.546 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.243 7.741 5.517 1.00 0.00 C ATOM 484 CD2 LEU A 30 2.488 5.422 4.615 1.00 0.00 C ATOM 0 H LEU A 30 6.406 7.618 6.580 1.00 0.00 H new ATOM 0 HA LEU A 30 5.061 5.065 6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.752 7.802 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.623 6.699 4.081 1.00 0.00 H new ATOM 0 HG LEU A 30 3.063 6.076 6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.214 7.507 5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.653 8.462 6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.263 8.167 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.456 5.220 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.515 5.789 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.070 4.503 4.687 1.00 0.00 H new ATOM 496 N LYS A 31 7.385 5.984 4.206 1.00 0.00 N ATOM 497 CA LYS A 31 8.283 5.491 3.169 1.00 0.00 C ATOM 498 C LYS A 31 9.022 4.241 3.637 1.00 0.00 C ATOM 499 O LYS A 31 9.364 3.372 2.834 1.00 0.00 O ATOM 500 CB LYS A 31 9.287 6.575 2.774 1.00 0.00 C ATOM 501 CG LYS A 31 8.643 7.806 2.155 1.00 0.00 C ATOM 502 CD LYS A 31 9.325 8.202 0.855 1.00 0.00 C ATOM 503 CE LYS A 31 10.375 9.277 1.081 1.00 0.00 C ATOM 504 NZ LYS A 31 9.761 10.592 1.419 1.00 0.00 N ATOM 0 H LYS A 31 7.548 6.953 4.480 1.00 0.00 H new ATOM 0 HA LYS A 31 7.682 5.230 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.851 6.876 3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.003 6.155 2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.587 7.609 1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.692 8.636 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.792 7.325 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.579 8.564 0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.041 8.970 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.986 9.382 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.452 11.351 1.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.924 10.748 0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.478 10.596 2.420 1.00 0.00 H new ATOM 518 N GLU A 32 9.266 4.157 4.940 1.00 0.00 N ATOM 519 CA GLU A 32 9.963 3.013 5.515 1.00 0.00 C ATOM 520 C GLU A 32 8.992 1.877 5.815 1.00 0.00 C ATOM 521 O GLU A 32 9.370 0.705 5.807 1.00 0.00 O ATOM 522 CB GLU A 32 10.698 3.426 6.792 1.00 0.00 C ATOM 523 CG GLU A 32 9.773 3.901 7.900 1.00 0.00 C ATOM 524 CD GLU A 32 10.284 3.539 9.282 1.00 0.00 C ATOM 525 OE1 GLU A 32 11.257 4.174 9.739 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.712 2.621 9.904 1.00 0.00 O ATOM 0 H GLU A 32 8.991 4.868 5.618 1.00 0.00 H new ATOM 0 HA GLU A 32 10.691 2.658 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.282 2.580 7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.404 4.221 6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.656 4.983 7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.785 3.464 7.756 1.00 0.00 H new ATOM 533 N LEU A 33 7.738 2.229 6.083 1.00 0.00 N ATOM 534 CA LEU A 33 6.714 1.238 6.387 1.00 0.00 C ATOM 535 C LEU A 33 6.163 0.614 5.107 1.00 0.00 C ATOM 536 O LEU A 33 5.890 -0.587 5.058 1.00 0.00 O ATOM 537 CB LEU A 33 5.577 1.878 7.190 1.00 0.00 C ATOM 538 CG LEU A 33 5.465 1.407 8.641 1.00 0.00 C ATOM 539 CD1 LEU A 33 6.249 2.327 9.564 1.00 0.00 C ATOM 540 CD2 LEU A 33 4.006 1.336 9.068 1.00 0.00 C ATOM 0 H LEU A 33 7.408 3.194 6.096 1.00 0.00 H new ATOM 0 HA LEU A 33 7.172 0.450 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.713 2.960 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.634 1.672 6.683 1.00 0.00 H new ATOM 0 HG LEU A 33 5.892 0.407 8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.157 1.976 10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.299 2.326 9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.853 3.340 9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.946 0.999 10.103 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.553 2.324 8.981 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.473 0.634 8.426 1.00 0.00 H new ATOM 552 N LEU A 34 6.003 1.435 4.076 1.00 0.00 N ATOM 553 CA LEU A 34 5.486 0.963 2.796 1.00 0.00 C ATOM 554 C LEU A 34 6.521 0.108 2.071 1.00 0.00 C ATOM 555 O LEU A 34 6.174 -0.805 1.323 1.00 0.00 O ATOM 556 CB LEU A 34 5.081 2.148 1.917 1.00 0.00 C ATOM 557 CG LEU A 34 4.075 3.111 2.551 1.00 0.00 C ATOM 558 CD1 LEU A 34 4.114 4.461 1.850 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.673 2.523 2.504 1.00 0.00 C ATOM 0 H LEU A 34 6.224 2.431 4.101 1.00 0.00 H new ATOM 0 HA LEU A 34 4.608 0.348 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.978 2.707 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.658 1.764 0.989 1.00 0.00 H new ATOM 0 HG LEU A 34 4.350 3.259 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.392 5.133 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.114 4.887 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.864 4.332 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.970 3.221 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.388 2.345 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.655 1.581 3.052 1.00 0.00 H new ATOM 571 N GLU A 35 7.795 0.411 2.298 1.00 0.00 N ATOM 572 CA GLU A 35 8.882 -0.328 1.666 1.00 0.00 C ATOM 573 C GLU A 35 9.092 -1.688 2.331 1.00 0.00 C ATOM 574 O GLU A 35 9.790 -2.547 1.792 1.00 0.00 O ATOM 575 CB GLU A 35 10.178 0.483 1.726 1.00 0.00 C ATOM 576 CG GLU A 35 10.308 1.504 0.607 1.00 0.00 C ATOM 577 CD GLU A 35 11.709 2.071 0.494 1.00 0.00 C ATOM 578 OE1 GLU A 35 12.430 2.079 1.516 1.00 0.00 O ATOM 579 OE2 GLU A 35 12.087 2.507 -0.614 1.00 0.00 O ATOM 0 H GLU A 35 8.100 1.164 2.915 1.00 0.00 H new ATOM 0 HA GLU A 35 8.608 -0.497 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.230 0.998 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.027 -0.200 1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.031 1.038 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.604 2.318 0.779 1.00 0.00 H new ATOM 586 N THR A 36 8.485 -1.881 3.500 1.00 0.00 N ATOM 587 CA THR A 36 8.613 -3.139 4.228 1.00 0.00 C ATOM 588 C THR A 36 8.186 -4.319 3.359 1.00 0.00 C ATOM 589 O THR A 36 8.856 -5.352 3.324 1.00 0.00 O ATOM 590 CB THR A 36 7.769 -3.103 5.504 1.00 0.00 C ATOM 591 OG1 THR A 36 6.390 -3.021 5.189 1.00 0.00 O ATOM 592 CG2 THR A 36 8.103 -1.937 6.409 1.00 0.00 C ATOM 0 H THR A 36 7.901 -1.183 3.962 1.00 0.00 H new ATOM 0 HA THR A 36 9.662 -3.268 4.496 1.00 0.00 H new ATOM 0 HB THR A 36 8.000 -4.029 6.031 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.221 -2.206 4.672 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.469 -1.971 7.295 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.149 -1.997 6.709 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.932 -1.002 5.876 1.00 0.00 H new ATOM 600 N TYR A 37 7.066 -4.158 2.661 1.00 0.00 N ATOM 601 CA TYR A 37 6.549 -5.210 1.793 1.00 0.00 C ATOM 602 C TYR A 37 6.280 -6.486 2.584 1.00 0.00 C ATOM 603 O TYR A 37 6.530 -7.591 2.103 1.00 0.00 O ATOM 604 CB TYR A 37 7.537 -5.496 0.661 1.00 0.00 C ATOM 605 CG TYR A 37 7.774 -4.314 -0.253 1.00 0.00 C ATOM 606 CD1 TYR A 37 6.716 -3.520 -0.679 1.00 0.00 C ATOM 607 CD2 TYR A 37 9.053 -3.992 -0.688 1.00 0.00 C ATOM 608 CE1 TYR A 37 6.927 -2.439 -1.515 1.00 0.00 C ATOM 609 CE2 TYR A 37 9.272 -2.913 -1.523 1.00 0.00 C ATOM 610 CZ TYR A 37 8.206 -2.140 -1.933 1.00 0.00 C ATOM 611 OH TYR A 37 8.421 -1.064 -2.765 1.00 0.00 O ATOM 0 H TYR A 37 6.500 -3.310 2.680 1.00 0.00 H new ATOM 0 HA TYR A 37 5.607 -4.865 1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.489 -5.808 1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.166 -6.333 0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.713 -3.751 -0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 37 9.890 -4.595 -0.368 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.094 -1.832 -1.839 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.273 -2.676 -1.853 1.00 0.00 H new ATOM 0 HH TYR A 37 9.378 -0.991 -2.965 1.00 0.00 H new ATOM 621 N GLN A 38 5.766 -6.325 3.800 1.00 0.00 N ATOM 622 CA GLN A 38 5.459 -7.465 4.659 1.00 0.00 C ATOM 623 C GLN A 38 4.509 -8.432 3.961 1.00 0.00 C ATOM 624 O GLN A 38 4.561 -9.642 4.186 1.00 0.00 O ATOM 625 CB GLN A 38 4.845 -6.987 5.976 1.00 0.00 C ATOM 626 CG GLN A 38 3.756 -5.944 5.798 1.00 0.00 C ATOM 627 CD GLN A 38 2.956 -5.714 7.066 1.00 0.00 C ATOM 628 OE1 GLN A 38 2.373 -6.644 7.623 1.00 0.00 O ATOM 629 NE2 GLN A 38 2.924 -4.470 7.528 1.00 0.00 N ATOM 0 H GLN A 38 5.553 -5.417 4.213 1.00 0.00 H new ATOM 0 HA GLN A 38 6.390 -7.990 4.871 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.431 -7.845 6.506 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.633 -6.573 6.605 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.207 -5.003 5.482 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.083 -6.259 5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.422 -3.730 7.034 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.401 -4.255 8.377 1.00 0.00 H new ATOM 638 N ARG A 39 3.643 -7.891 3.110 1.00 0.00 N ATOM 639 CA ARG A 39 2.680 -8.705 2.374 1.00 0.00 C ATOM 640 C ARG A 39 2.871 -8.528 0.869 1.00 0.00 C ATOM 641 O ARG A 39 3.579 -7.624 0.427 1.00 0.00 O ATOM 642 CB ARG A 39 1.241 -8.340 2.768 1.00 0.00 C ATOM 643 CG ARG A 39 1.132 -7.157 3.718 1.00 0.00 C ATOM 644 CD ARG A 39 -0.305 -6.675 3.846 1.00 0.00 C ATOM 645 NE ARG A 39 -1.079 -7.500 4.772 1.00 0.00 N ATOM 646 CZ ARG A 39 -1.731 -8.609 4.419 1.00 0.00 C ATOM 647 NH1 ARG A 39 -1.711 -9.030 3.161 1.00 0.00 N ATOM 648 NH2 ARG A 39 -2.404 -9.297 5.329 1.00 0.00 N ATOM 0 H ARG A 39 3.588 -6.892 2.912 1.00 0.00 H new ATOM 0 HA ARG A 39 2.855 -9.750 2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.675 -8.118 1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.773 -9.208 3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.510 -7.442 4.700 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.760 -6.342 3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.311 -5.641 4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.780 -6.688 2.865 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.123 -7.210 5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.194 -8.505 2.456 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.212 -9.879 2.899 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.423 -8.979 6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.903 -10.145 5.061 1.00 0.00 H new ATOM 662 N PRO A 40 2.240 -9.396 0.058 1.00 0.00 N ATOM 663 CA PRO A 40 2.348 -9.328 -1.404 1.00 0.00 C ATOM 664 C PRO A 40 1.672 -8.087 -1.979 1.00 0.00 C ATOM 665 O PRO A 40 0.684 -8.187 -2.707 1.00 0.00 O ATOM 666 CB PRO A 40 1.635 -10.598 -1.877 1.00 0.00 C ATOM 667 CG PRO A 40 0.698 -10.943 -0.770 1.00 0.00 C ATOM 668 CD PRO A 40 1.377 -10.507 0.498 1.00 0.00 C ATOM 0 HA PRO A 40 3.385 -9.262 -1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.099 -10.426 -2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.344 -11.405 -2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.258 -10.435 -0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.490 -12.013 -0.754 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.656 -10.183 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.958 -11.316 0.942 1.00 0.00 H new ATOM 676 N PHE A 41 2.210 -6.918 -1.648 1.00 0.00 N ATOM 677 CA PHE A 41 1.660 -5.659 -2.133 1.00 0.00 C ATOM 678 C PHE A 41 2.769 -4.740 -2.639 1.00 0.00 C ATOM 679 O PHE A 41 3.912 -4.824 -2.189 1.00 0.00 O ATOM 680 CB PHE A 41 0.858 -4.964 -1.025 1.00 0.00 C ATOM 681 CG PHE A 41 1.711 -4.322 0.034 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.129 -3.007 -0.097 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.093 -5.032 1.160 1.00 0.00 C ATOM 684 CE1 PHE A 41 2.911 -2.413 0.873 1.00 0.00 C ATOM 685 CE2 PHE A 41 2.876 -4.442 2.136 1.00 0.00 C ATOM 686 CZ PHE A 41 3.286 -3.132 1.992 1.00 0.00 C ATOM 0 H PHE A 41 3.027 -6.817 -1.045 1.00 0.00 H new ATOM 0 HA PHE A 41 0.991 -5.879 -2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.220 -4.203 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.200 -5.694 -0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.839 -2.440 -0.969 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.776 -6.058 1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.229 -1.387 0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.166 -5.006 3.010 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.898 -2.670 2.752 1.00 0.00 H new ATOM 696 N LYS A 42 2.424 -3.862 -3.575 1.00 0.00 N ATOM 697 CA LYS A 42 3.391 -2.929 -4.140 1.00 0.00 C ATOM 698 C LYS A 42 2.826 -1.513 -4.165 1.00 0.00 C ATOM 699 O LYS A 42 1.635 -1.304 -3.932 1.00 0.00 O ATOM 700 CB LYS A 42 3.780 -3.360 -5.556 1.00 0.00 C ATOM 701 CG LYS A 42 5.023 -4.233 -5.604 1.00 0.00 C ATOM 702 CD LYS A 42 6.293 -3.398 -5.593 1.00 0.00 C ATOM 703 CE LYS A 42 7.327 -3.942 -6.566 1.00 0.00 C ATOM 704 NZ LYS A 42 8.458 -2.994 -6.760 1.00 0.00 N ATOM 0 H LYS A 42 1.482 -3.777 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 42 4.280 -2.937 -3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.947 -3.902 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.946 -2.471 -6.165 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.025 -4.911 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.000 -4.850 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.054 -2.367 -5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.711 -3.384 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.710 -4.893 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.852 -4.142 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.141 -3.401 -7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.097 -2.095 -7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.928 -2.822 -5.848 1.00 0.00 H new ATOM 718 N LEU A 43 3.687 -0.543 -4.451 1.00 0.00 N ATOM 719 CA LEU A 43 3.274 0.853 -4.507 1.00 0.00 C ATOM 720 C LEU A 43 3.948 1.571 -5.668 1.00 0.00 C ATOM 721 O LEU A 43 5.167 1.502 -5.829 1.00 0.00 O ATOM 722 CB LEU A 43 3.609 1.564 -3.197 1.00 0.00 C ATOM 723 CG LEU A 43 2.561 1.414 -2.090 1.00 0.00 C ATOM 724 CD1 LEU A 43 2.959 0.304 -1.128 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.378 2.727 -1.346 1.00 0.00 C ATOM 0 H LEU A 43 4.676 -0.698 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 43 2.195 0.877 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.561 1.183 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.748 2.625 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 43 1.610 1.146 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.204 0.211 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.038 -0.638 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.921 0.543 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.630 2.601 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.325 3.026 -0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.048 3.497 -2.043 1.00 0.00 H new ATOM 737 N GLU A 44 3.150 2.261 -6.475 1.00 0.00 N ATOM 738 CA GLU A 44 3.676 2.991 -7.619 1.00 0.00 C ATOM 739 C GLU A 44 3.850 4.469 -7.284 1.00 0.00 C ATOM 740 O GLU A 44 2.910 5.255 -7.390 1.00 0.00 O ATOM 741 CB GLU A 44 2.751 2.831 -8.827 1.00 0.00 C ATOM 742 CG GLU A 44 2.804 1.449 -9.454 1.00 0.00 C ATOM 743 CD GLU A 44 1.443 0.963 -9.910 1.00 0.00 C ATOM 744 OE1 GLU A 44 0.430 1.388 -9.316 1.00 0.00 O ATOM 745 OE2 GLU A 44 1.389 0.157 -10.863 1.00 0.00 O ATOM 0 H GLU A 44 2.139 2.329 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 44 4.653 2.575 -7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.727 3.043 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.018 3.573 -9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.484 1.467 -10.306 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.215 0.743 -8.733 1.00 0.00 H new ATOM 752 N PHE A 45 5.059 4.837 -6.878 1.00 0.00 N ATOM 753 CA PHE A 45 5.356 6.221 -6.525 1.00 0.00 C ATOM 754 C PHE A 45 5.104 7.143 -7.713 1.00 0.00 C ATOM 755 O PHE A 45 5.835 7.114 -8.702 1.00 0.00 O ATOM 756 CB PHE A 45 6.808 6.356 -6.058 1.00 0.00 C ATOM 757 CG PHE A 45 7.262 5.242 -5.155 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.397 4.683 -4.226 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.557 4.752 -5.234 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.812 3.661 -3.396 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.979 3.729 -4.407 1.00 0.00 C ATOM 762 CZ PHE A 45 8.106 3.182 -3.486 1.00 0.00 C ATOM 0 H PHE A 45 5.849 4.198 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 45 4.695 6.513 -5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.459 6.391 -6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.925 7.305 -5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.385 5.052 -4.151 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.244 5.176 -5.951 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.127 3.236 -2.677 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.990 3.357 -4.480 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.434 2.382 -2.838 1.00 0.00 H new ATOM 772 N LYS A 46 4.059 7.957 -7.606 1.00 0.00 N ATOM 773 CA LYS A 46 3.700 8.885 -8.669 1.00 0.00 C ATOM 774 C LYS A 46 4.756 9.975 -8.829 1.00 0.00 C ATOM 775 O LYS A 46 5.043 10.416 -9.942 1.00 0.00 O ATOM 776 CB LYS A 46 2.336 9.516 -8.379 1.00 0.00 C ATOM 777 CG LYS A 46 1.173 8.552 -8.545 1.00 0.00 C ATOM 778 CD LYS A 46 0.511 8.703 -9.903 1.00 0.00 C ATOM 779 CE LYS A 46 -0.366 9.943 -9.962 1.00 0.00 C ATOM 780 NZ LYS A 46 -0.812 10.242 -11.351 1.00 0.00 N ATOM 0 H LYS A 46 3.446 7.992 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 46 3.646 8.325 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.333 9.904 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.190 10.367 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.528 7.529 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.438 8.729 -7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.276 8.760 -10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.092 7.820 -10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.238 9.802 -9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.185 10.796 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.408 11.095 -11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.019 10.402 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.359 9.439 -11.720 1.00 0.00 H new ATOM 901 N PHE A 54 1.796 17.692 -1.644 1.00 0.00 N ATOM 902 CA PHE A 54 1.013 16.463 -1.586 1.00 0.00 C ATOM 903 C PHE A 54 1.806 15.286 -2.133 1.00 0.00 C ATOM 904 O PHE A 54 2.166 15.259 -3.311 1.00 0.00 O ATOM 905 CB PHE A 54 -0.290 16.620 -2.371 1.00 0.00 C ATOM 906 CG PHE A 54 -0.956 17.954 -2.177 1.00 0.00 C ATOM 907 CD1 PHE A 54 -1.219 18.433 -0.904 1.00 0.00 C ATOM 908 CD2 PHE A 54 -1.317 18.728 -3.268 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.828 19.660 -0.723 1.00 0.00 C ATOM 910 CE2 PHE A 54 -1.927 19.955 -3.092 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.183 20.422 -1.818 1.00 0.00 C ATOM 0 HA PHE A 54 0.777 16.266 -0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.084 16.478 -3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.981 15.832 -2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.945 17.841 -0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.119 18.368 -4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.026 20.023 0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.204 20.549 -3.951 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.660 21.381 -1.679 1.00 0.00 H new ATOM 921 N TYR A 55 2.075 14.312 -1.272 1.00 0.00 N ATOM 922 CA TYR A 55 2.826 13.132 -1.674 1.00 0.00 C ATOM 923 C TYR A 55 1.893 12.072 -2.245 1.00 0.00 C ATOM 924 O TYR A 55 1.114 11.456 -1.516 1.00 0.00 O ATOM 925 CB TYR A 55 3.599 12.561 -0.483 1.00 0.00 C ATOM 926 CG TYR A 55 4.681 13.483 0.034 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.359 14.665 0.690 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.023 13.170 -0.133 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.345 15.510 1.163 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.015 14.008 0.339 1.00 0.00 C ATOM 931 CZ TYR A 55 6.672 15.175 0.985 1.00 0.00 C ATOM 932 OH TYR A 55 7.657 16.014 1.456 1.00 0.00 O ATOM 0 H TYR A 55 1.785 14.317 -0.294 1.00 0.00 H new ATOM 0 HA TYR A 55 3.536 13.426 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.899 12.347 0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.050 11.612 -0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.321 14.928 0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.296 12.256 -0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.079 16.426 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.055 13.749 0.202 1.00 0.00 H new ATOM 0 HH TYR A 55 8.536 15.633 1.251 1.00 0.00 H new ATOM 942 N SER A 56 1.978 11.867 -3.552 1.00 0.00 N ATOM 943 CA SER A 56 1.143 10.884 -4.231 1.00 0.00 C ATOM 944 C SER A 56 1.823 9.519 -4.265 1.00 0.00 C ATOM 945 O SER A 56 2.973 9.398 -4.690 1.00 0.00 O ATOM 946 CB SER A 56 0.830 11.348 -5.655 1.00 0.00 C ATOM 947 OG SER A 56 0.241 12.637 -5.654 1.00 0.00 O ATOM 0 H SER A 56 2.619 12.370 -4.166 1.00 0.00 H new ATOM 0 HA SER A 56 0.211 10.789 -3.673 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.746 11.364 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.156 10.637 -6.132 1.00 0.00 H new ATOM 0 HG SER A 56 0.052 12.911 -6.576 1.00 0.00 H new ATOM 953 N PHE A 57 1.106 8.492 -3.818 1.00 0.00 N ATOM 954 CA PHE A 57 1.641 7.135 -3.799 1.00 0.00 C ATOM 955 C PHE A 57 0.555 6.118 -4.131 1.00 0.00 C ATOM 956 O PHE A 57 -0.502 6.097 -3.498 1.00 0.00 O ATOM 957 CB PHE A 57 2.247 6.821 -2.430 1.00 0.00 C ATOM 958 CG PHE A 57 3.633 7.368 -2.246 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.841 8.727 -2.071 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.729 6.521 -2.245 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.116 9.231 -1.901 1.00 0.00 C ATOM 962 CE2 PHE A 57 6.007 7.019 -2.075 1.00 0.00 C ATOM 963 CZ PHE A 57 6.200 8.376 -1.902 1.00 0.00 C ATOM 0 H PHE A 57 0.153 8.574 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 57 2.421 7.069 -4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.599 7.227 -1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.271 5.740 -2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.996 9.400 -2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.583 5.459 -2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.265 10.292 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.854 6.348 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.198 8.767 -1.768 1.00 0.00 H new ATOM 973 N ASN A 58 0.817 5.272 -5.124 1.00 0.00 N ATOM 974 CA ASN A 58 -0.142 4.252 -5.528 1.00 0.00 C ATOM 975 C ASN A 58 0.065 2.970 -4.730 1.00 0.00 C ATOM 976 O ASN A 58 1.120 2.768 -4.129 1.00 0.00 O ATOM 977 CB ASN A 58 -0.018 3.967 -7.027 1.00 0.00 C ATOM 978 CG ASN A 58 -1.179 4.531 -7.823 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.325 4.510 -7.373 1.00 0.00 O ATOM 980 ND2 ASN A 58 -0.886 5.040 -9.014 1.00 0.00 N ATOM 0 H ASN A 58 1.684 5.274 -5.662 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.145 4.627 -5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.914 4.393 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.038 2.890 -7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.625 5.435 -9.596 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.078 5.036 -9.347 1.00 0.00 H new ATOM 987 N VAL A 59 -0.944 2.107 -4.725 1.00 0.00 N ATOM 988 CA VAL A 59 -0.864 0.847 -3.995 1.00 0.00 C ATOM 989 C VAL A 59 -1.461 -0.302 -4.799 1.00 0.00 C ATOM 990 O VAL A 59 -2.673 -0.365 -5.003 1.00 0.00 O ATOM 991 CB VAL A 59 -1.589 0.935 -2.637 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.181 -0.224 -1.739 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.308 2.268 -1.960 1.00 0.00 C ATOM 0 H VAL A 59 -1.825 2.256 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 59 0.195 0.654 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.662 0.868 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.702 -0.146 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.443 -1.166 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.105 -0.191 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.830 2.308 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.236 2.372 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.657 3.080 -2.597 1.00 0.00 H new ATOM 1003 N SER A 60 -0.602 -1.210 -5.247 1.00 0.00 N ATOM 1004 CA SER A 60 -1.044 -2.363 -6.023 1.00 0.00 C ATOM 1005 C SER A 60 -1.050 -3.619 -5.158 1.00 0.00 C ATOM 1006 O SER A 60 -0.008 -4.231 -4.926 1.00 0.00 O ATOM 1007 CB SER A 60 -0.134 -2.570 -7.235 1.00 0.00 C ATOM 1008 OG SER A 60 -0.834 -3.193 -8.299 1.00 0.00 O ATOM 0 H SER A 60 0.404 -1.170 -5.086 1.00 0.00 H new ATOM 0 HA SER A 60 -2.059 -2.172 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.258 -1.609 -7.567 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.722 -3.182 -6.951 1.00 0.00 H new ATOM 0 HG SER A 60 -0.231 -3.312 -9.062 1.00 0.00 H new ATOM 1014 N MET A 61 -2.231 -3.994 -4.677 1.00 0.00 N ATOM 1015 CA MET A 61 -2.371 -5.174 -3.831 1.00 0.00 C ATOM 1016 C MET A 61 -3.316 -6.191 -4.463 1.00 0.00 C ATOM 1017 O MET A 61 -4.211 -5.833 -5.229 1.00 0.00 O ATOM 1018 CB MET A 61 -2.885 -4.773 -2.446 1.00 0.00 C ATOM 1019 CG MET A 61 -3.071 -5.948 -1.502 1.00 0.00 C ATOM 1020 SD MET A 61 -2.812 -5.501 0.225 1.00 0.00 S ATOM 1021 CE MET A 61 -2.903 -7.108 1.010 1.00 0.00 C ATOM 0 H MET A 61 -3.104 -3.499 -4.858 1.00 0.00 H new ATOM 0 HA MET A 61 -1.389 -5.636 -3.729 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.186 -4.066 -1.999 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.837 -4.253 -2.557 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.077 -6.349 -1.622 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.376 -6.742 -1.776 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.922 -6.984 2.093 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.810 -7.619 0.688 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.033 -7.701 0.728 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.110 -7.465 -4.136 1.00 0.00 N ATOM 1032 CA GLU A 62 -3.941 -8.536 -4.668 1.00 0.00 C ATOM 1033 C GLU A 62 -5.334 -8.503 -4.047 1.00 0.00 C ATOM 1034 O GLU A 62 -5.538 -8.974 -2.929 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.287 -9.895 -4.411 1.00 0.00 C ATOM 1036 CG GLU A 62 -3.662 -10.954 -5.434 1.00 0.00 C ATOM 1037 CD GLU A 62 -4.909 -11.723 -5.047 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -4.787 -12.712 -4.293 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -6.009 -11.336 -5.496 1.00 0.00 O ATOM 0 H GLU A 62 -2.373 -7.778 -3.504 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.038 -8.386 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.204 -9.773 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.572 -10.244 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.819 -10.479 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.832 -11.651 -5.551 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.289 -7.942 -4.781 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.663 -7.847 -4.304 1.00 0.00 C ATOM 1048 C VAL A 63 -8.483 -9.052 -4.750 1.00 0.00 C ATOM 1049 O VAL A 63 -8.368 -9.508 -5.887 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.344 -6.558 -4.809 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.768 -6.456 -4.280 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.531 -5.337 -4.409 1.00 0.00 C ATOM 0 H VAL A 63 -6.136 -7.546 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.621 -7.824 -3.215 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.391 -6.598 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.228 -5.539 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.345 -7.315 -4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.751 -6.440 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.025 -4.436 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.450 -5.293 -3.323 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.534 -5.405 -4.844 1.00 0.00 H new ATOM 1062 N SER A 64 -9.314 -9.559 -3.845 1.00 0.00 N ATOM 1063 CA SER A 64 -10.162 -10.709 -4.139 1.00 0.00 C ATOM 1064 C SER A 64 -11.626 -10.290 -4.243 1.00 0.00 C ATOM 1065 O SER A 64 -12.413 -10.918 -4.950 1.00 0.00 O ATOM 1066 CB SER A 64 -10.001 -11.777 -3.055 1.00 0.00 C ATOM 1067 OG SER A 64 -10.705 -12.959 -3.395 1.00 0.00 O ATOM 0 H SER A 64 -9.418 -9.191 -2.900 1.00 0.00 H new ATOM 0 HA SER A 64 -9.852 -11.125 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.944 -12.006 -2.920 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.368 -11.392 -2.104 1.00 0.00 H new ATOM 0 HG SER A 64 -10.585 -13.626 -2.687 1.00 0.00 H new ATOM 1073 N ASN A 65 -11.983 -9.223 -3.534 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.350 -8.718 -3.546 1.00 0.00 C ATOM 1075 C ASN A 65 -13.454 -7.414 -2.760 1.00 0.00 C ATOM 1076 O ASN A 65 -12.443 -6.839 -2.356 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.308 -9.764 -2.962 1.00 0.00 C ATOM 1078 CG ASN A 65 -14.116 -9.966 -1.469 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -15.007 -9.676 -0.672 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.947 -10.465 -1.083 1.00 0.00 N ATOM 0 H ASN A 65 -11.343 -8.692 -2.944 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.631 -8.519 -4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.336 -9.456 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.159 -10.714 -3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.761 -10.621 -0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.235 -10.692 -1.777 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.681 -6.953 -2.544 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.915 -5.719 -1.804 1.00 0.00 C ATOM 1089 C GLU A 66 -14.355 -5.820 -0.388 1.00 0.00 C ATOM 1090 O GLU A 66 -13.818 -4.851 0.149 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.413 -5.408 -1.754 1.00 0.00 C ATOM 1092 CG GLU A 66 -16.757 -4.192 -0.906 1.00 0.00 C ATOM 1093 CD GLU A 66 -17.441 -3.098 -1.703 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -18.456 -3.393 -2.369 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -16.961 -1.945 -1.664 1.00 0.00 O ATOM 0 H GLU A 66 -15.529 -7.416 -2.871 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.400 -4.909 -2.321 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.776 -5.246 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.942 -6.276 -1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.406 -4.498 -0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.845 -3.795 -0.460 1.00 0.00 H new ATOM 1102 N SER A 67 -14.486 -7.000 0.209 1.00 0.00 N ATOM 1103 CA SER A 67 -13.995 -7.235 1.564 1.00 0.00 C ATOM 1104 C SER A 67 -12.553 -6.759 1.721 1.00 0.00 C ATOM 1105 O SER A 67 -12.249 -5.952 2.602 1.00 0.00 O ATOM 1106 CB SER A 67 -14.093 -8.722 1.912 1.00 0.00 C ATOM 1107 OG SER A 67 -15.444 -9.122 2.068 1.00 0.00 O ATOM 0 H SER A 67 -14.929 -7.810 -0.224 1.00 0.00 H new ATOM 0 HA SER A 67 -14.620 -6.662 2.250 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.624 -9.314 1.126 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.543 -8.920 2.832 1.00 0.00 H new ATOM 0 HG SER A 67 -15.784 -9.465 1.215 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.671 -7.257 0.863 1.00 0.00 N ATOM 1114 CA GLU A 68 -10.264 -6.871 0.916 1.00 0.00 C ATOM 1115 C GLU A 68 -10.111 -5.377 0.664 1.00 0.00 C ATOM 1116 O GLU A 68 -9.483 -4.670 1.450 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.432 -7.655 -0.108 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.928 -9.071 -0.366 1.00 0.00 C ATOM 1119 CD GLU A 68 -10.212 -9.835 0.913 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -9.705 -9.421 1.977 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -10.943 -10.847 0.851 1.00 0.00 O ATOM 0 H GLU A 68 -11.901 -7.924 0.127 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.895 -7.107 1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.427 -7.107 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.400 -7.702 0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.835 -9.029 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.183 -9.612 -0.949 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.693 -4.905 -0.438 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.627 -3.490 -0.808 1.00 0.00 C ATOM 1130 C ARG A 69 -10.818 -2.584 0.405 1.00 0.00 C ATOM 1131 O ARG A 69 -10.024 -1.672 0.642 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.686 -3.171 -1.865 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.488 -1.821 -2.537 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.811 -1.111 -2.766 1.00 0.00 C ATOM 1135 NE ARG A 69 -12.685 -0.010 -3.719 1.00 0.00 N ATOM 1136 CZ ARG A 69 -12.141 1.168 -3.420 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -11.674 1.403 -2.201 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -12.064 2.114 -4.346 1.00 0.00 N ATOM 0 H ARG A 69 -11.218 -5.484 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.635 -3.301 -1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.675 -3.951 -2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.671 -3.195 -1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.842 -1.198 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.979 -1.960 -3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.547 -1.826 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.186 -0.728 -1.817 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.034 -0.152 -4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.730 0.679 -1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.259 2.308 -1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.421 1.939 -5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.648 3.017 -4.119 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.869 -2.842 1.175 1.00 0.00 N ATOM 1153 CA ASN A 70 -12.154 -2.050 2.366 1.00 0.00 C ATOM 1154 C ASN A 70 -11.010 -2.154 3.367 1.00 0.00 C ATOM 1155 O ASN A 70 -10.720 -1.206 4.097 1.00 0.00 O ATOM 1156 CB ASN A 70 -13.461 -2.511 3.013 1.00 0.00 C ATOM 1157 CG ASN A 70 -14.644 -1.655 2.600 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -15.677 -2.169 2.170 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.498 -0.343 2.729 1.00 0.00 N ATOM 0 H ASN A 70 -12.537 -3.592 0.996 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.259 -1.008 2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.653 -3.548 2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.356 -2.482 4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.260 0.283 2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.624 0.040 3.090 1.00 0.00 H new ATOM 1166 N GLU A 71 -10.360 -3.313 3.390 1.00 0.00 N ATOM 1167 CA GLU A 71 -9.242 -3.545 4.297 1.00 0.00 C ATOM 1168 C GLU A 71 -7.967 -2.892 3.766 1.00 0.00 C ATOM 1169 O GLU A 71 -7.200 -2.300 4.526 1.00 0.00 O ATOM 1170 CB GLU A 71 -9.020 -5.046 4.491 1.00 0.00 C ATOM 1171 CG GLU A 71 -8.836 -5.452 5.943 1.00 0.00 C ATOM 1172 CD GLU A 71 -9.150 -6.915 6.185 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -10.329 -7.302 6.033 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -8.219 -7.674 6.528 1.00 0.00 O ATOM 0 H GLU A 71 -10.588 -4.106 2.791 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.485 -3.094 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.871 -5.587 4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.141 -5.351 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.808 -5.250 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.480 -4.837 6.572 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.748 -3.003 2.460 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.565 -2.421 1.832 1.00 0.00 C ATOM 1183 C ILE A 72 -6.584 -0.899 1.927 1.00 0.00 C ATOM 1184 O ILE A 72 -5.536 -0.253 1.899 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.445 -2.825 0.347 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.777 -4.310 0.162 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -5.048 -2.517 -0.171 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.338 -4.876 -1.174 1.00 0.00 C ATOM 0 H ILE A 72 -8.372 -3.489 1.816 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.704 -2.811 2.375 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.164 -2.244 -0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.303 -4.880 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.853 -4.448 0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.977 -2.807 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.852 -1.449 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.313 -3.074 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.608 -5.931 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.832 -4.333 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.258 -4.772 -1.276 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.781 -0.329 2.034 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.934 1.120 2.126 1.00 0.00 C ATOM 1202 C PHE A 73 -7.595 1.623 3.527 1.00 0.00 C ATOM 1203 O PHE A 73 -6.982 2.680 3.685 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.363 1.525 1.759 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.437 2.735 0.873 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -9.084 2.655 -0.464 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -9.860 3.954 1.380 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -9.151 3.768 -1.279 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -9.929 5.071 0.568 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.574 4.977 -0.764 1.00 0.00 C ATOM 0 H PHE A 73 -8.659 -0.848 2.059 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.238 1.576 1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.851 0.689 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.923 1.720 2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.753 1.712 -0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.139 4.032 2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.872 3.692 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.260 6.015 0.974 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.627 5.848 -1.401 1.00 0.00 H new ATOM 1220 N GLN A 74 -7.999 0.864 4.540 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.741 1.239 5.926 1.00 0.00 C ATOM 1222 C GLN A 74 -6.299 0.929 6.319 1.00 0.00 C ATOM 1223 O GLN A 74 -5.677 1.675 7.076 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.704 0.508 6.862 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.582 -1.006 6.798 1.00 0.00 C ATOM 1226 CD GLN A 74 -9.557 -1.709 7.722 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -10.426 -2.458 7.273 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -9.416 -1.472 9.021 1.00 0.00 N ATOM 0 H GLN A 74 -8.506 -0.014 4.428 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.899 2.314 6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.522 0.836 7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.726 0.793 6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.754 -1.338 5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.565 -1.296 7.060 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.682 -0.844 9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.042 -1.918 9.692 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.774 -0.177 5.804 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.407 -0.586 6.105 1.00 0.00 C ATOM 1239 C LYS A 75 -3.403 0.454 5.616 1.00 0.00 C ATOM 1240 O LYS A 75 -2.512 0.866 6.360 1.00 0.00 O ATOM 1241 CB LYS A 75 -4.106 -1.942 5.465 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.840 -3.101 6.122 1.00 0.00 C ATOM 1243 CD LYS A 75 -4.246 -3.437 7.480 1.00 0.00 C ATOM 1244 CE LYS A 75 -5.030 -4.541 8.172 1.00 0.00 C ATOM 1245 NZ LYS A 75 -6.207 -4.006 8.911 1.00 0.00 N ATOM 0 H LYS A 75 -6.274 -0.806 5.176 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.312 -0.672 7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.375 -1.904 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.033 -2.128 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.894 -2.847 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.792 -3.977 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.208 -3.748 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.240 -2.545 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.366 -5.267 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.376 -5.071 8.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.715 -4.790 9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.885 -3.332 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.844 -3.522 8.246 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.553 0.874 4.364 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.657 1.866 3.782 1.00 0.00 C ATOM 1261 C ILE A 76 -2.825 3.220 4.461 1.00 0.00 C ATOM 1262 O ILE A 76 -1.876 3.996 4.564 1.00 0.00 O ATOM 1263 CB ILE A 76 -2.899 2.020 2.265 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -1.865 2.969 1.653 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.309 2.524 1.997 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.514 2.324 1.435 1.00 0.00 C ATOM 0 H ILE A 76 -4.285 0.544 3.735 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.639 1.511 3.941 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.790 1.041 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.241 3.338 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.746 3.834 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.461 2.626 0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.032 1.814 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.446 3.493 2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.171 3.052 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.117 1.979 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.621 1.476 0.759 1.00 0.00 H new ATOM 1278 N SER A 77 -4.039 3.498 4.925 1.00 0.00 N ATOM 1279 CA SER A 77 -4.331 4.758 5.598 1.00 0.00 C ATOM 1280 C SER A 77 -4.270 4.592 7.114 1.00 0.00 C ATOM 1281 O SER A 77 -4.883 5.361 7.855 1.00 0.00 O ATOM 1282 CB SER A 77 -5.710 5.275 5.184 1.00 0.00 C ATOM 1283 OG SER A 77 -6.059 6.436 5.914 1.00 0.00 O ATOM 0 H SER A 77 -4.837 2.867 4.847 1.00 0.00 H new ATOM 0 HA SER A 77 -3.575 5.484 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.713 5.498 4.117 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.457 4.499 5.350 1.00 0.00 H new ATOM 0 HG SER A 77 -6.019 6.243 6.874 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.529 3.586 7.569 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.391 3.323 8.996 1.00 0.00 C ATOM 1291 C GLN A 78 -2.771 4.519 9.714 1.00 0.00 C ATOM 1292 O GLN A 78 -3.307 5.004 10.710 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.536 2.074 9.224 1.00 0.00 C ATOM 1294 CG GLN A 78 -3.345 0.850 9.620 1.00 0.00 C ATOM 1295 CD GLN A 78 -3.552 0.747 11.119 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -2.902 -0.051 11.793 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -4.461 1.559 11.647 1.00 0.00 N ATOM 0 H GLN A 78 -3.015 2.940 6.970 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.386 3.154 9.407 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.980 1.853 8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.803 2.283 10.003 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.315 0.885 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.838 -0.047 9.265 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.976 2.205 11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.643 1.537 12.650 1.00 0.00 H new ATOM 1306 N LEU A 79 -1.639 4.989 9.200 1.00 0.00 N ATOM 1307 CA LEU A 79 -0.945 6.128 9.791 1.00 0.00 C ATOM 1308 C LEU A 79 -1.838 7.365 9.803 1.00 0.00 C ATOM 1309 O LEU A 79 -2.988 7.316 9.370 1.00 0.00 O ATOM 1310 CB LEU A 79 0.345 6.421 9.021 1.00 0.00 C ATOM 1311 CG LEU A 79 1.583 5.678 9.524 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.760 4.368 8.772 1.00 0.00 C ATOM 1313 CD2 LEU A 79 2.823 6.547 9.381 1.00 0.00 C ATOM 0 H LEU A 79 -1.183 4.599 8.375 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.695 5.875 10.821 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.189 6.168 7.972 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.541 7.492 9.065 1.00 0.00 H new ATOM 0 HG LEU A 79 1.442 5.452 10.581 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.646 3.852 9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.883 3.739 8.925 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.878 4.572 7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.694 6.001 9.744 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.968 6.805 8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.697 7.459 9.964 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.298 8.472 10.302 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.044 9.723 10.372 1.00 0.00 C ATOM 1327 C ASP A 80 -1.483 10.748 9.391 1.00 0.00 C ATOM 1328 O ASP A 80 -1.537 11.952 9.638 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.005 10.286 11.793 1.00 0.00 C ATOM 1330 CG ASP A 80 -0.591 10.526 12.282 1.00 0.00 C ATOM 1331 OD1 ASP A 80 0.160 9.540 12.434 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -0.232 11.701 12.511 1.00 0.00 O ATOM 0 H ASP A 80 -0.346 8.528 10.664 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.079 9.515 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.561 11.223 11.825 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.507 9.594 12.469 1.00 0.00 H new ATOM 1337 N LYS A 81 -0.945 10.262 8.278 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.374 11.133 7.258 1.00 0.00 C ATOM 1339 C LYS A 81 -1.334 11.292 6.082 1.00 0.00 C ATOM 1340 O LYS A 81 -1.789 12.395 5.782 1.00 0.00 O ATOM 1341 CB LYS A 81 0.964 10.576 6.766 1.00 0.00 C ATOM 1342 CG LYS A 81 1.840 10.017 7.878 1.00 0.00 C ATOM 1343 CD LYS A 81 2.532 11.128 8.656 1.00 0.00 C ATOM 1344 CE LYS A 81 2.098 11.142 10.114 1.00 0.00 C ATOM 1345 NZ LYS A 81 2.900 10.201 10.943 1.00 0.00 N ATOM 0 H LYS A 81 -0.892 9.267 8.059 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.207 12.112 7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.774 9.790 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.508 11.366 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.231 9.421 8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.589 9.349 7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.612 10.995 8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.304 12.091 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.198 12.152 10.512 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.043 10.876 10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.281 9.734 11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.336 9.483 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.644 10.727 11.444 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.636 10.178 5.423 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.540 10.176 4.277 1.00 0.00 C ATOM 1361 C VAL A 82 -3.802 10.988 4.557 1.00 0.00 C ATOM 1362 O VAL A 82 -4.421 10.852 5.612 1.00 0.00 O ATOM 1363 CB VAL A 82 -2.951 8.744 3.887 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -1.758 7.978 3.333 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -3.553 8.015 5.079 1.00 0.00 C ATOM 0 H VAL A 82 -1.265 9.259 5.665 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.993 10.633 3.452 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.710 8.805 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.067 6.968 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.376 8.489 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.975 7.927 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.837 7.005 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.819 7.964 5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.435 8.553 5.427 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.174 11.832 3.603 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.360 12.668 3.740 1.00 0.00 C ATOM 1377 C VAL A 83 -6.274 12.531 2.523 1.00 0.00 C ATOM 1378 O VAL A 83 -7.498 12.527 2.654 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.972 14.149 3.929 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -6.201 15.046 3.896 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -4.206 14.335 5.229 1.00 0.00 C ATOM 0 H VAL A 83 -3.671 11.956 2.725 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.898 12.326 4.624 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.325 14.438 3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.898 16.084 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.705 14.938 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.882 14.759 4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.940 15.385 5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.829 14.022 6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.299 13.731 5.206 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.673 12.419 1.343 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.435 12.282 0.109 1.00 0.00 C ATOM 1393 C GLN A 84 -6.617 10.813 -0.259 1.00 0.00 C ATOM 1394 O GLN A 84 -5.657 10.043 -0.269 1.00 0.00 O ATOM 1395 CB GLN A 84 -5.737 13.023 -1.032 1.00 0.00 C ATOM 1396 CG GLN A 84 -6.695 13.595 -2.064 1.00 0.00 C ATOM 1397 CD GLN A 84 -6.161 14.852 -2.723 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -6.004 15.887 -2.077 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -5.878 14.766 -4.018 1.00 0.00 N ATOM 0 H GLN A 84 -4.661 12.421 1.216 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.419 12.722 0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.139 13.834 -0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.047 12.341 -1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.890 12.843 -2.829 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.648 13.817 -1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.024 13.887 -4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.515 15.579 -4.516 1.00 0.00 H new ATOM 1408 N THR A 85 -7.853 10.433 -0.561 1.00 0.00 N ATOM 1409 CA THR A 85 -8.162 9.058 -0.931 1.00 0.00 C ATOM 1410 C THR A 85 -9.029 9.013 -2.184 1.00 0.00 C ATOM 1411 O THR A 85 -10.152 9.518 -2.193 1.00 0.00 O ATOM 1412 CB THR A 85 -8.872 8.344 0.222 1.00 0.00 C ATOM 1413 OG1 THR A 85 -10.121 8.954 0.493 1.00 0.00 O ATOM 1414 CG2 THR A 85 -8.073 8.341 1.506 1.00 0.00 C ATOM 0 H THR A 85 -8.658 11.059 -0.557 1.00 0.00 H new ATOM 0 HA THR A 85 -7.223 8.546 -1.143 1.00 0.00 H new ATOM 0 HB THR A 85 -8.999 7.313 -0.109 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.514 9.280 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.633 7.819 2.282 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.122 7.834 1.342 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.887 9.368 1.821 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.503 8.402 -3.242 1.00 0.00 N ATOM 1423 CA LEU A 86 -9.231 8.291 -4.500 1.00 0.00 C ATOM 1424 C LEU A 86 -9.277 6.844 -4.977 1.00 0.00 C ATOM 1425 O LEU A 86 -10.377 6.373 -5.333 1.00 0.00 O ATOM 1426 CB LEU A 86 -8.580 9.172 -5.569 1.00 0.00 C ATOM 1427 CG LEU A 86 -9.518 9.636 -6.686 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -9.947 8.458 -7.546 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -10.733 10.342 -6.100 1.00 0.00 C ATOM 1430 OXT LEU A 86 -8.211 6.192 -4.991 1.00 0.00 O ATOM 0 H LEU A 86 -7.576 7.977 -3.252 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.253 8.631 -4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.155 10.051 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.752 8.622 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.980 10.343 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.613 8.807 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.068 7.994 -7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.468 7.727 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.390 10.666 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.272 9.656 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.408 11.210 -5.526 1.00 0.00 H new