USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 77 THR OG1 : rot 32:sc= 1.32 USER MOD Set 1.2: A 79 TYR OH : rot -26:sc= 0.431 USER MOD Set 2.1: A 54 HIS : no HD1:sc= -0.728 K(o=-2.9,f=-1.8) USER MOD Set 2.2: A 58 GLN : amide:sc= -2.13 K(o=-2.9,f=-5.1!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.75) USER MOD Single : A 28 HIS : no HD1:sc= -0.789 K(o=-0.79,f=-3.1) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= -0.0998 (180deg=-0.589) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 83:sc= 1.13 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -167:sc= 0 (180deg=-0.249) USER MOD Single : A 64 THR OG1 : rot -52:sc= -0.0765 USER MOD Single : A 65 THR OG1 : rot -64:sc= 1.01 USER MOD Single : A 69 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 72 HIS : no HE2:sc= 0.201 K(o=0.2,f=-2.5!) USER MOD Single : A 74 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 75 CYS SG : rot 180:sc= -0.817 USER MOD Single : A 80 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-2.4) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 84 THR OG1 : rot -106:sc= 0.222 USER MOD Single : A 85 CYS SG : rot 6:sc= -0.2 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00729 USER MOD Single : A 92 SER OG : rot 83:sc= 0.39 USER MOD Single : A 93 CYS SG : rot 47:sc= 1.27 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 223 N ARG A 15 -5.645 -1.219 -15.154 1.00 1.00 N ATOM 224 CA ARG A 15 -5.039 -2.313 -15.912 1.00 1.00 C ATOM 225 C ARG A 15 -4.236 -3.193 -14.963 1.00 1.00 C ATOM 226 O ARG A 15 -3.566 -2.692 -14.058 1.00 1.00 O ATOM 227 CB ARG A 15 -4.128 -1.729 -17.006 1.00 1.00 C ATOM 228 CG ARG A 15 -3.552 -2.855 -17.889 1.00 1.00 C ATOM 229 CD ARG A 15 -2.763 -2.257 -19.058 1.00 1.00 C ATOM 230 NE ARG A 15 -2.211 -3.341 -19.875 1.00 1.00 N ATOM 231 CZ ARG A 15 -2.982 -4.056 -20.704 1.00 1.00 C ATOM 232 NH1 ARG A 15 -4.260 -3.796 -20.802 1.00 1.00 N ATOM 233 NH2 ARG A 15 -2.459 -5.019 -21.410 1.00 1.00 N ATOM 0 HA ARG A 15 -5.813 -2.917 -16.385 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -4.693 -1.029 -17.622 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -3.315 -1.166 -16.548 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -2.904 -3.498 -17.294 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -4.361 -3.480 -18.268 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -3.412 -1.624 -19.663 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -1.959 -1.623 -18.683 1.00 1.00 H new ATOM 0 HE ARG A 15 -1.216 -3.556 -19.811 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -4.672 -3.047 -20.246 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -4.845 -4.342 -21.434 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -1.464 -5.227 -21.330 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -3.045 -5.564 -22.042 1.00 1.00 H new ATOM 247 N LEU A 16 -4.315 -4.514 -15.177 1.00 1.00 N ATOM 248 CA LEU A 16 -3.609 -5.507 -14.352 1.00 1.00 C ATOM 249 C LEU A 16 -2.705 -6.358 -15.236 1.00 1.00 C ATOM 250 O LEU A 16 -3.087 -6.736 -16.339 1.00 1.00 O ATOM 251 CB LEU A 16 -4.653 -6.398 -13.634 1.00 1.00 C ATOM 252 CG LEU A 16 -3.962 -7.518 -12.752 1.00 1.00 C ATOM 253 CD1 LEU A 16 -4.687 -7.656 -11.394 1.00 1.00 C ATOM 254 CD2 LEU A 16 -3.988 -8.896 -13.468 1.00 1.00 C ATOM 0 H LEU A 16 -4.870 -4.925 -15.927 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.993 -5.003 -13.608 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -5.288 -5.777 -13.002 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -5.302 -6.867 -14.374 1.00 1.00 H new ATOM 0 HG LEU A 16 -2.927 -7.215 -12.596 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -4.201 -8.429 -10.799 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -4.644 -6.707 -10.860 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -5.728 -7.930 -11.564 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -3.506 -9.643 -12.837 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -5.021 -9.190 -13.654 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -3.455 -8.824 -14.416 1.00 1.00 H new ATOM 266 N GLY A 17 -1.503 -6.663 -14.728 1.00 1.00 N ATOM 267 CA GLY A 17 -0.510 -7.486 -15.440 1.00 1.00 C ATOM 268 C GLY A 17 -0.174 -8.729 -14.624 1.00 1.00 C ATOM 269 O GLY A 17 -0.659 -8.901 -13.506 1.00 1.00 O ATOM 0 H GLY A 17 -1.189 -6.346 -13.810 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -0.900 -7.777 -16.415 1.00 1.00 H new ATOM 0 HA3 GLY A 17 0.394 -6.904 -15.619 1.00 1.00 H new ATOM 273 N ALA A 18 0.658 -9.597 -15.195 1.00 1.00 N ATOM 274 CA ALA A 18 1.061 -10.835 -14.528 1.00 1.00 C ATOM 275 C ALA A 18 2.185 -11.498 -15.317 1.00 1.00 C ATOM 276 O ALA A 18 1.931 -12.155 -16.327 1.00 1.00 O ATOM 277 CB ALA A 18 -0.139 -11.786 -14.444 1.00 1.00 C ATOM 0 H ALA A 18 1.068 -9.466 -16.120 1.00 1.00 H new ATOM 0 HA ALA A 18 1.413 -10.606 -13.522 1.00 1.00 H new ATOM 0 HB1 ALA A 18 0.162 -12.708 -13.947 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -0.940 -11.312 -13.876 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.493 -12.014 -15.449 1.00 1.00 H new ATOM 283 N ARG A 19 3.433 -11.322 -14.865 1.00 1.00 N ATOM 284 CA ARG A 19 4.585 -11.915 -15.559 1.00 1.00 C ATOM 285 C ARG A 19 4.637 -13.410 -15.247 1.00 1.00 C ATOM 286 O ARG A 19 4.480 -13.824 -14.098 1.00 1.00 O ATOM 287 CB ARG A 19 5.882 -11.214 -15.137 1.00 1.00 C ATOM 288 CG ARG A 19 7.098 -11.758 -15.906 1.00 1.00 C ATOM 289 CD ARG A 19 8.369 -11.048 -15.414 1.00 1.00 C ATOM 290 NE ARG A 19 8.280 -9.617 -15.699 1.00 1.00 N ATOM 291 CZ ARG A 19 9.232 -8.764 -15.315 1.00 1.00 C ATOM 292 NH1 ARG A 19 10.291 -9.194 -14.679 1.00 1.00 N ATOM 293 NH2 ARG A 19 9.103 -7.493 -15.575 1.00 1.00 N ATOM 0 H ARG A 19 3.670 -10.781 -14.033 1.00 1.00 H new ATOM 0 HA ARG A 19 4.476 -11.782 -16.635 1.00 1.00 H new ATOM 0 HB2 ARG A 19 5.790 -10.142 -15.312 1.00 1.00 H new ATOM 0 HB3 ARG A 19 6.038 -11.350 -14.067 1.00 1.00 H new ATOM 0 HG2 ARG A 19 7.187 -12.834 -15.755 1.00 1.00 H new ATOM 0 HG3 ARG A 19 6.968 -11.596 -16.976 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.494 -11.208 -14.343 1.00 1.00 H new ATOM 0 HD3 ARG A 19 9.246 -11.472 -15.904 1.00 1.00 H new ATOM 0 HE ARG A 19 7.469 -9.261 -16.205 1.00 1.00 H new ATOM 0 HH11 ARG A 19 10.394 -10.188 -14.473 1.00 1.00 H new ATOM 0 HH12 ARG A 19 11.014 -8.536 -14.389 1.00 1.00 H new ATOM 0 HH21 ARG A 19 8.278 -7.155 -16.070 1.00 1.00 H new ATOM 0 HH22 ARG A 19 9.828 -6.837 -15.284 1.00 1.00 H new ATOM 307 N LEU A 20 4.847 -14.209 -16.301 1.00 1.00 N ATOM 308 CA LEU A 20 4.918 -15.670 -16.203 1.00 1.00 C ATOM 309 C LEU A 20 6.203 -16.172 -16.848 1.00 1.00 C ATOM 310 O LEU A 20 6.674 -15.607 -17.838 1.00 1.00 O ATOM 311 CB LEU A 20 3.708 -16.279 -16.931 1.00 1.00 C ATOM 312 CG LEU A 20 2.379 -15.769 -16.319 1.00 1.00 C ATOM 313 CD1 LEU A 20 1.204 -16.278 -17.180 1.00 1.00 C ATOM 314 CD2 LEU A 20 2.209 -16.266 -14.858 1.00 1.00 C ATOM 0 H LEU A 20 4.973 -13.857 -17.250 1.00 1.00 H new ATOM 0 HA LEU A 20 4.909 -15.965 -15.154 1.00 1.00 H new ATOM 0 HB2 LEU A 20 3.748 -16.021 -17.989 1.00 1.00 H new ATOM 0 HB3 LEU A 20 3.749 -17.366 -16.866 1.00 1.00 H new ATOM 0 HG LEU A 20 2.394 -14.679 -16.306 1.00 1.00 H new ATOM 0 HD11 LEU A 20 0.263 -15.924 -16.758 1.00 1.00 H new ATOM 0 HD12 LEU A 20 1.309 -15.902 -18.198 1.00 1.00 H new ATOM 0 HD13 LEU A 20 1.208 -17.368 -17.194 1.00 1.00 H new ATOM 0 HD21 LEU A 20 1.268 -15.893 -14.454 1.00 1.00 H new ATOM 0 HD22 LEU A 20 2.204 -17.356 -14.843 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.036 -15.899 -14.250 1.00 1.00 H new ATOM 326 N VAL A 21 6.759 -17.251 -16.278 1.00 1.00 N ATOM 327 CA VAL A 21 7.995 -17.877 -16.772 1.00 1.00 C ATOM 328 C VAL A 21 7.665 -19.255 -17.341 1.00 1.00 C ATOM 329 O VAL A 21 6.894 -20.012 -16.753 1.00 1.00 O ATOM 330 CB VAL A 21 9.014 -17.989 -15.611 1.00 1.00 C ATOM 331 CG1 VAL A 21 8.490 -18.929 -14.498 1.00 1.00 C ATOM 332 CG2 VAL A 21 10.368 -18.503 -16.139 1.00 1.00 C ATOM 0 H VAL A 21 6.364 -17.715 -15.460 1.00 1.00 H new ATOM 0 HA VAL A 21 8.436 -17.269 -17.561 1.00 1.00 H new ATOM 0 HB VAL A 21 9.149 -16.995 -15.184 1.00 1.00 H new ATOM 0 HG11 VAL A 21 9.226 -18.989 -13.696 1.00 1.00 H new ATOM 0 HG12 VAL A 21 7.553 -18.537 -14.102 1.00 1.00 H new ATOM 0 HG13 VAL A 21 8.322 -19.924 -14.911 1.00 1.00 H new ATOM 0 HG21 VAL A 21 11.076 -18.577 -15.313 1.00 1.00 H new ATOM 0 HG22 VAL A 21 10.233 -19.486 -16.591 1.00 1.00 H new ATOM 0 HG23 VAL A 21 10.754 -17.810 -16.886 1.00 1.00 H new ATOM 342 N GLN A 22 8.260 -19.573 -18.489 1.00 1.00 N ATOM 343 CA GLN A 22 8.038 -20.863 -19.133 1.00 1.00 C ATOM 344 C GLN A 22 8.734 -21.962 -18.329 1.00 1.00 C ATOM 345 O GLN A 22 9.881 -21.802 -17.914 1.00 1.00 O ATOM 346 CB GLN A 22 8.589 -20.828 -20.574 1.00 1.00 C ATOM 347 CG GLN A 22 8.235 -22.128 -21.318 1.00 1.00 C ATOM 348 CD GLN A 22 8.739 -22.063 -22.756 1.00 1.00 C ATOM 349 OE1 GLN A 22 9.877 -21.662 -22.999 1.00 1.00 O ATOM 350 NE2 GLN A 22 7.952 -22.433 -23.728 1.00 1.00 N ATOM 0 H GLN A 22 8.898 -18.955 -18.991 1.00 1.00 H new ATOM 0 HA GLN A 22 6.969 -21.072 -19.170 1.00 1.00 H new ATOM 0 HB2 GLN A 22 8.175 -19.972 -21.107 1.00 1.00 H new ATOM 0 HB3 GLN A 22 9.671 -20.697 -20.553 1.00 1.00 H new ATOM 0 HG2 GLN A 22 8.680 -22.982 -20.807 1.00 1.00 H new ATOM 0 HG3 GLN A 22 7.156 -22.279 -21.309 1.00 1.00 H new ATOM 0 HE21 GLN A 22 7.010 -22.765 -23.523 1.00 1.00 H new ATOM 0 HE22 GLN A 22 8.279 -22.391 -24.693 1.00 1.00 H new ATOM 359 N GLU A 23 8.039 -23.082 -18.132 1.00 1.00 N ATOM 360 CA GLU A 23 8.600 -24.218 -17.394 1.00 1.00 C ATOM 361 C GLU A 23 7.715 -25.449 -17.613 1.00 1.00 C ATOM 362 O GLU A 23 6.662 -25.588 -16.990 1.00 1.00 O ATOM 363 CB GLU A 23 8.692 -23.877 -15.886 1.00 1.00 C ATOM 364 CG GLU A 23 9.497 -24.958 -15.117 1.00 1.00 C ATOM 365 CD GLU A 23 10.984 -24.921 -15.492 1.00 1.00 C ATOM 366 OE1 GLU A 23 11.394 -23.982 -16.157 1.00 1.00 O ATOM 367 OE2 GLU A 23 11.689 -25.837 -15.109 1.00 1.00 O ATOM 0 H GLU A 23 7.088 -23.229 -18.472 1.00 1.00 H new ATOM 0 HA GLU A 23 9.605 -24.431 -17.759 1.00 1.00 H new ATOM 0 HB2 GLU A 23 9.168 -22.905 -15.758 1.00 1.00 H new ATOM 0 HB3 GLU A 23 7.689 -23.798 -15.466 1.00 1.00 H new ATOM 0 HG2 GLU A 23 9.387 -24.801 -14.044 1.00 1.00 H new ATOM 0 HG3 GLU A 23 9.089 -25.944 -15.339 1.00 1.00 H new ATOM 374 N GLY A 24 8.151 -26.334 -18.508 1.00 1.00 N ATOM 375 CA GLY A 24 7.401 -27.545 -18.817 1.00 1.00 C ATOM 376 C GLY A 24 6.172 -27.190 -19.631 1.00 1.00 C ATOM 377 O GLY A 24 6.068 -26.081 -20.156 1.00 1.00 O ATOM 0 H GLY A 24 9.021 -26.233 -19.031 1.00 1.00 H new ATOM 0 HA2 GLY A 24 8.029 -28.241 -19.373 1.00 1.00 H new ATOM 0 HA3 GLY A 24 7.106 -28.047 -17.896 1.00 1.00 H new ATOM 381 N ASN A 25 5.235 -28.129 -19.743 1.00 1.00 N ATOM 382 CA ASN A 25 4.010 -27.891 -20.512 1.00 1.00 C ATOM 383 C ASN A 25 2.970 -27.188 -19.644 1.00 1.00 C ATOM 384 O ASN A 25 1.767 -27.325 -19.867 1.00 1.00 O ATOM 385 CB ASN A 25 3.446 -29.226 -21.010 1.00 1.00 C ATOM 386 CG ASN A 25 4.459 -29.915 -21.917 1.00 1.00 C ATOM 387 OD1 ASN A 25 4.758 -29.421 -23.003 1.00 1.00 O ATOM 388 ND2 ASN A 25 5.012 -31.032 -21.530 1.00 1.00 N ATOM 0 H ASN A 25 5.296 -29.054 -19.317 1.00 1.00 H new ATOM 0 HA ASN A 25 4.247 -27.255 -21.365 1.00 1.00 H new ATOM 0 HB2 ASN A 25 3.209 -29.869 -20.162 1.00 1.00 H new ATOM 0 HB3 ASN A 25 2.516 -29.057 -21.552 1.00 1.00 H new ATOM 0 HD21 ASN A 25 5.694 -31.498 -22.129 1.00 1.00 H new ATOM 0 HD22 ASN A 25 4.762 -31.439 -20.629 1.00 1.00 H new ATOM 395 N GLN A 26 3.443 -26.436 -18.645 1.00 1.00 N ATOM 396 CA GLN A 26 2.558 -25.702 -17.729 1.00 1.00 C ATOM 397 C GLN A 26 3.216 -24.379 -17.329 1.00 1.00 C ATOM 398 O GLN A 26 4.418 -24.325 -17.073 1.00 1.00 O ATOM 399 CB GLN A 26 2.294 -26.572 -16.477 1.00 1.00 C ATOM 400 CG GLN A 26 1.226 -25.931 -15.558 1.00 1.00 C ATOM 401 CD GLN A 26 -0.142 -25.915 -16.245 1.00 1.00 C ATOM 402 OE1 GLN A 26 -0.505 -26.874 -16.925 1.00 1.00 O ATOM 403 NE2 GLN A 26 -0.918 -24.876 -16.113 1.00 1.00 N ATOM 0 H GLN A 26 4.437 -26.318 -18.448 1.00 1.00 H new ATOM 0 HA GLN A 26 1.610 -25.485 -18.221 1.00 1.00 H new ATOM 0 HB2 GLN A 26 1.963 -27.564 -16.785 1.00 1.00 H new ATOM 0 HB3 GLN A 26 3.222 -26.704 -15.921 1.00 1.00 H new ATOM 0 HG2 GLN A 26 1.162 -26.488 -14.623 1.00 1.00 H new ATOM 0 HG3 GLN A 26 1.522 -24.913 -15.303 1.00 1.00 H new ATOM 0 HE21 GLN A 26 -0.615 -24.082 -15.549 1.00 1.00 H new ATOM 0 HE22 GLN A 26 -1.828 -24.857 -16.574 1.00 1.00 H new ATOM 412 N LEU A 27 2.412 -23.318 -17.263 1.00 1.00 N ATOM 413 CA LEU A 27 2.895 -21.987 -16.880 1.00 1.00 C ATOM 414 C LEU A 27 2.742 -21.823 -15.367 1.00 1.00 C ATOM 415 O LEU A 27 1.686 -22.123 -14.807 1.00 1.00 O ATOM 416 CB LEU A 27 2.066 -20.909 -17.612 1.00 1.00 C ATOM 417 CG LEU A 27 2.056 -21.172 -19.140 1.00 1.00 C ATOM 418 CD1 LEU A 27 1.198 -20.096 -19.831 1.00 1.00 C ATOM 419 CD2 LEU A 27 3.496 -21.165 -19.727 1.00 1.00 C ATOM 0 H LEU A 27 1.414 -23.353 -17.471 1.00 1.00 H new ATOM 0 HA LEU A 27 3.944 -21.876 -17.156 1.00 1.00 H new ATOM 0 HB2 LEU A 27 1.045 -20.907 -17.231 1.00 1.00 H new ATOM 0 HB3 LEU A 27 2.483 -19.922 -17.410 1.00 1.00 H new ATOM 0 HG LEU A 27 1.631 -22.160 -19.320 1.00 1.00 H new ATOM 0 HD11 LEU A 27 1.187 -20.275 -20.906 1.00 1.00 H new ATOM 0 HD12 LEU A 27 0.180 -20.140 -19.445 1.00 1.00 H new ATOM 0 HD13 LEU A 27 1.620 -19.111 -19.632 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.452 -21.352 -20.800 1.00 1.00 H new ATOM 0 HD22 LEU A 27 3.958 -20.194 -19.547 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.089 -21.943 -19.246 1.00 1.00 H new ATOM 431 N HIS A 28 3.804 -21.358 -14.695 1.00 1.00 N ATOM 432 CA HIS A 28 3.766 -21.177 -13.240 1.00 1.00 C ATOM 433 C HIS A 28 3.100 -19.844 -12.890 1.00 1.00 C ATOM 434 O HIS A 28 3.646 -18.783 -13.196 1.00 1.00 O ATOM 435 CB HIS A 28 5.225 -21.199 -12.679 1.00 1.00 C ATOM 436 CG HIS A 28 5.221 -21.662 -11.237 1.00 1.00 C ATOM 437 ND1 HIS A 28 4.089 -21.563 -10.444 1.00 1.00 N ATOM 438 CD2 HIS A 28 6.184 -22.235 -10.446 1.00 1.00 C ATOM 439 CE1 HIS A 28 4.393 -22.064 -9.235 1.00 1.00 C ATOM 440 NE2 HIS A 28 5.658 -22.488 -9.181 1.00 1.00 N ATOM 0 H HIS A 28 4.690 -21.103 -15.131 1.00 1.00 H new ATOM 0 HA HIS A 28 3.188 -21.986 -12.794 1.00 1.00 H new ATOM 0 HB2 HIS A 28 5.844 -21.864 -13.281 1.00 1.00 H new ATOM 0 HB3 HIS A 28 5.665 -20.204 -12.748 1.00 1.00 H new ATOM 0 HD2 HIS A 28 7.195 -22.456 -10.756 1.00 1.00 H new ATOM 0 HE1 HIS A 28 3.700 -22.117 -8.409 1.00 1.00 H new ATOM 0 HE2 HIS A 28 6.137 -22.907 -8.384 1.00 1.00 H new ATOM 449 N TYR A 29 1.933 -19.900 -12.222 1.00 1.00 N ATOM 450 CA TYR A 29 1.206 -18.684 -11.804 1.00 1.00 C ATOM 451 C TYR A 29 1.489 -18.421 -10.323 1.00 1.00 C ATOM 452 O TYR A 29 0.977 -19.114 -9.444 1.00 1.00 O ATOM 453 CB TYR A 29 -0.309 -18.856 -12.027 1.00 1.00 C ATOM 454 CG TYR A 29 -1.042 -17.581 -11.599 1.00 1.00 C ATOM 455 CD1 TYR A 29 -1.481 -17.430 -10.271 1.00 1.00 C ATOM 456 CD2 TYR A 29 -1.259 -16.543 -12.520 1.00 1.00 C ATOM 457 CE1 TYR A 29 -2.124 -16.252 -9.873 1.00 1.00 C ATOM 458 CE2 TYR A 29 -1.907 -15.369 -12.117 1.00 1.00 C ATOM 459 CZ TYR A 29 -2.336 -15.224 -10.795 1.00 1.00 C ATOM 460 OH TYR A 29 -2.969 -14.065 -10.397 1.00 1.00 O ATOM 0 H TYR A 29 1.473 -20.772 -11.960 1.00 1.00 H new ATOM 0 HA TYR A 29 1.545 -17.838 -12.402 1.00 1.00 H new ATOM 0 HB2 TYR A 29 -0.510 -19.067 -13.077 1.00 1.00 H new ATOM 0 HB3 TYR A 29 -0.676 -19.708 -11.454 1.00 1.00 H new ATOM 0 HD1 TYR A 29 -1.322 -18.225 -9.557 1.00 1.00 H new ATOM 0 HD2 TYR A 29 -0.925 -16.651 -13.541 1.00 1.00 H new ATOM 0 HE1 TYR A 29 -2.457 -16.138 -8.852 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -2.075 -14.574 -12.829 1.00 1.00 H new ATOM 0 HH TYR A 29 -3.037 -13.451 -11.158 1.00 1.00 H new ATOM 470 N LEU A 30 2.322 -17.410 -10.067 1.00 1.00 N ATOM 471 CA LEU A 30 2.707 -17.015 -8.708 1.00 1.00 C ATOM 472 C LEU A 30 1.760 -15.919 -8.203 1.00 1.00 C ATOM 473 O LEU A 30 1.373 -15.021 -8.951 1.00 1.00 O ATOM 474 CB LEU A 30 4.182 -16.504 -8.735 1.00 1.00 C ATOM 475 CG LEU A 30 5.219 -17.670 -8.651 1.00 1.00 C ATOM 476 CD1 LEU A 30 5.164 -18.416 -7.277 1.00 1.00 C ATOM 477 CD2 LEU A 30 4.988 -18.652 -9.820 1.00 1.00 C ATOM 0 H LEU A 30 2.750 -16.840 -10.797 1.00 1.00 H new ATOM 0 HA LEU A 30 2.635 -17.866 -8.031 1.00 1.00 H new ATOM 0 HB2 LEU A 30 4.350 -15.937 -9.651 1.00 1.00 H new ATOM 0 HB3 LEU A 30 4.341 -15.819 -7.902 1.00 1.00 H new ATOM 0 HG LEU A 30 6.217 -17.239 -8.730 1.00 1.00 H new ATOM 0 HD11 LEU A 30 5.903 -19.217 -7.268 1.00 1.00 H new ATOM 0 HD12 LEU A 30 5.381 -17.713 -6.473 1.00 1.00 H new ATOM 0 HD13 LEU A 30 4.170 -18.838 -7.132 1.00 1.00 H new ATOM 0 HD21 LEU A 30 5.712 -19.465 -9.761 1.00 1.00 H new ATOM 0 HD22 LEU A 30 3.979 -19.059 -9.759 1.00 1.00 H new ATOM 0 HD23 LEU A 30 5.110 -18.126 -10.767 1.00 1.00 H new ATOM 489 N ALA A 31 1.407 -16.003 -6.920 1.00 1.00 N ATOM 490 CA ALA A 31 0.517 -15.026 -6.285 1.00 1.00 C ATOM 491 C ALA A 31 1.306 -13.807 -5.809 1.00 1.00 C ATOM 492 O ALA A 31 0.851 -12.672 -5.940 1.00 1.00 O ATOM 493 CB ALA A 31 -0.188 -15.682 -5.092 1.00 1.00 C ATOM 0 H ALA A 31 1.726 -16.743 -6.295 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.221 -14.696 -7.016 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -0.850 -14.958 -4.618 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.771 -16.535 -5.438 1.00 1.00 H new ATOM 0 HB3 ALA A 31 0.556 -16.020 -4.371 1.00 1.00 H new ATOM 499 N ASP A 32 2.488 -14.056 -5.243 1.00 1.00 N ATOM 500 CA ASP A 32 3.338 -12.979 -4.728 1.00 1.00 C ATOM 501 C ASP A 32 3.965 -12.176 -5.867 1.00 1.00 C ATOM 502 O ASP A 32 4.598 -11.147 -5.621 1.00 1.00 O ATOM 503 CB ASP A 32 4.452 -13.579 -3.849 1.00 1.00 C ATOM 504 CG ASP A 32 5.276 -14.590 -4.645 1.00 1.00 C ATOM 505 OD1 ASP A 32 4.723 -15.211 -5.537 1.00 1.00 O ATOM 506 OD2 ASP A 32 6.452 -14.725 -4.351 1.00 1.00 O ATOM 0 H ASP A 32 2.879 -14.991 -5.129 1.00 1.00 H new ATOM 0 HA ASP A 32 2.716 -12.306 -4.137 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.100 -12.784 -3.479 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.014 -14.064 -2.977 1.00 1.00 H new ATOM 511 N ARG A 33 3.801 -12.656 -7.113 1.00 1.00 N ATOM 512 CA ARG A 33 4.372 -11.984 -8.302 1.00 1.00 C ATOM 513 C ARG A 33 3.250 -11.468 -9.208 1.00 1.00 C ATOM 514 O ARG A 33 3.264 -11.688 -10.420 1.00 1.00 O ATOM 515 CB ARG A 33 5.267 -12.987 -9.080 1.00 1.00 C ATOM 516 CG ARG A 33 6.256 -12.243 -10.009 1.00 1.00 C ATOM 517 CD ARG A 33 7.107 -13.248 -10.803 1.00 1.00 C ATOM 518 NE ARG A 33 8.174 -12.540 -11.511 1.00 1.00 N ATOM 519 CZ ARG A 33 9.077 -13.187 -12.253 1.00 1.00 C ATOM 520 NH1 ARG A 33 9.011 -14.484 -12.391 1.00 1.00 N ATOM 521 NH2 ARG A 33 10.028 -12.519 -12.842 1.00 1.00 N ATOM 0 H ARG A 33 3.279 -13.506 -7.326 1.00 1.00 H new ATOM 0 HA ARG A 33 4.975 -11.135 -7.980 1.00 1.00 H new ATOM 0 HB2 ARG A 33 5.821 -13.608 -8.376 1.00 1.00 H new ATOM 0 HB3 ARG A 33 4.641 -13.656 -9.671 1.00 1.00 H new ATOM 0 HG2 ARG A 33 5.706 -11.600 -10.696 1.00 1.00 H new ATOM 0 HG3 ARG A 33 6.904 -11.596 -9.417 1.00 1.00 H new ATOM 0 HD2 ARG A 33 7.535 -13.990 -10.128 1.00 1.00 H new ATOM 0 HD3 ARG A 33 6.481 -13.787 -11.514 1.00 1.00 H new ATOM 0 HE ARG A 33 8.230 -11.524 -11.436 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.267 -15.009 -11.931 1.00 1.00 H new ATOM 0 HH12 ARG A 33 9.703 -14.972 -12.959 1.00 1.00 H new ATOM 0 HH21 ARG A 33 10.081 -11.506 -12.736 1.00 1.00 H new ATOM 0 HH22 ARG A 33 10.720 -13.009 -13.409 1.00 1.00 H new ATOM 535 N ALA A 34 2.287 -10.761 -8.620 1.00 1.00 N ATOM 536 CA ALA A 34 1.186 -10.194 -9.400 1.00 1.00 C ATOM 537 C ALA A 34 0.415 -9.176 -8.561 1.00 1.00 C ATOM 538 O ALA A 34 -0.019 -9.473 -7.448 1.00 1.00 O ATOM 539 CB ALA A 34 0.234 -11.322 -9.841 1.00 1.00 C ATOM 0 H ALA A 34 2.245 -10.568 -7.619 1.00 1.00 H new ATOM 0 HA ALA A 34 1.595 -9.694 -10.278 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.586 -10.900 -10.422 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.780 -12.040 -10.453 1.00 1.00 H new ATOM 0 HB3 ALA A 34 -0.166 -11.825 -8.961 1.00 1.00 H new ATOM 545 N SER A 35 0.250 -7.971 -9.108 1.00 1.00 N ATOM 546 CA SER A 35 -0.469 -6.901 -8.420 1.00 1.00 C ATOM 547 C SER A 35 -1.963 -7.161 -8.503 1.00 1.00 C ATOM 548 O SER A 35 -2.396 -8.001 -9.291 1.00 1.00 O ATOM 549 CB SER A 35 -0.152 -5.560 -9.092 1.00 1.00 C ATOM 550 OG SER A 35 -0.680 -5.563 -10.413 1.00 1.00 O ATOM 0 H SER A 35 0.606 -7.712 -10.028 1.00 1.00 H new ATOM 0 HA SER A 35 -0.160 -6.870 -7.375 1.00 1.00 H new ATOM 0 HB2 SER A 35 -0.583 -4.740 -8.517 1.00 1.00 H new ATOM 0 HB3 SER A 35 0.926 -5.399 -9.119 1.00 1.00 H new ATOM 0 HG SER A 35 -0.481 -4.707 -10.847 1.00 1.00 H new ATOM 556 N ILE A 36 -2.750 -6.436 -7.705 1.00 1.00 N ATOM 557 CA ILE A 36 -4.219 -6.565 -7.690 1.00 1.00 C ATOM 558 C ILE A 36 -4.848 -5.196 -7.926 1.00 1.00 C ATOM 559 O ILE A 36 -4.242 -4.170 -7.615 1.00 1.00 O ATOM 560 CB ILE A 36 -4.675 -7.142 -6.326 1.00 1.00 C ATOM 561 CG1 ILE A 36 -4.119 -6.273 -5.162 1.00 1.00 C ATOM 562 CG2 ILE A 36 -4.164 -8.589 -6.193 1.00 1.00 C ATOM 563 CD1 ILE A 36 -4.694 -6.739 -3.816 1.00 1.00 C ATOM 0 H ILE A 36 -2.392 -5.742 -7.049 1.00 1.00 H new ATOM 0 HA ILE A 36 -4.539 -7.243 -8.481 1.00 1.00 H new ATOM 0 HB ILE A 36 -5.764 -7.133 -6.276 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -3.031 -6.337 -5.141 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -4.373 -5.226 -5.329 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -4.482 -9.000 -5.235 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -4.573 -9.195 -7.002 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -3.075 -8.597 -6.248 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -4.293 -6.119 -3.015 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -5.780 -6.651 -3.834 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -4.417 -7.779 -3.643 1.00 1.00 H new ATOM 575 N THR A 37 -6.073 -5.185 -8.471 1.00 1.00 N ATOM 576 CA THR A 37 -6.806 -3.935 -8.743 1.00 1.00 C ATOM 577 C THR A 37 -8.265 -4.097 -8.328 1.00 1.00 C ATOM 578 O THR A 37 -8.881 -5.128 -8.607 1.00 1.00 O ATOM 579 CB THR A 37 -6.730 -3.611 -10.244 1.00 1.00 C ATOM 580 OG1 THR A 37 -7.259 -4.702 -10.984 1.00 1.00 O ATOM 581 CG2 THR A 37 -5.272 -3.372 -10.658 1.00 1.00 C ATOM 0 H THR A 37 -6.581 -6.030 -8.734 1.00 1.00 H new ATOM 0 HA THR A 37 -6.357 -3.121 -8.174 1.00 1.00 H new ATOM 0 HB THR A 37 -7.309 -2.710 -10.447 1.00 1.00 H new ATOM 0 HG1 THR A 37 -7.214 -4.500 -11.942 1.00 1.00 H new ATOM 0 HG21 THR A 37 -5.229 -3.143 -11.723 1.00 1.00 H new ATOM 0 HG22 THR A 37 -4.865 -2.535 -10.090 1.00 1.00 H new ATOM 0 HG23 THR A 37 -4.685 -4.268 -10.455 1.00 1.00 H new ATOM 589 N GLY A 38 -8.820 -3.083 -7.670 1.00 1.00 N ATOM 590 CA GLY A 38 -10.214 -3.134 -7.230 1.00 1.00 C ATOM 591 C GLY A 38 -10.469 -4.354 -6.345 1.00 1.00 C ATOM 592 O GLY A 38 -10.594 -5.473 -6.842 1.00 1.00 O ATOM 0 H GLY A 38 -8.331 -2.221 -7.430 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -10.458 -2.225 -6.680 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.872 -3.168 -8.099 1.00 1.00 H new ATOM 596 N LYS A 39 -10.541 -4.139 -5.033 1.00 1.00 N ATOM 597 CA LYS A 39 -10.778 -5.237 -4.100 1.00 1.00 C ATOM 598 C LYS A 39 -12.096 -5.941 -4.433 1.00 1.00 C ATOM 599 O LYS A 39 -13.159 -5.320 -4.454 1.00 1.00 O ATOM 600 CB LYS A 39 -10.833 -4.686 -2.664 1.00 1.00 C ATOM 601 CG LYS A 39 -9.478 -4.073 -2.282 1.00 1.00 C ATOM 602 CD LYS A 39 -9.547 -3.508 -0.854 1.00 1.00 C ATOM 603 CE LYS A 39 -8.185 -2.916 -0.467 1.00 1.00 C ATOM 604 NZ LYS A 39 -7.839 -1.811 -1.406 1.00 1.00 N ATOM 0 H LYS A 39 -10.440 -3.223 -4.595 1.00 1.00 H new ATOM 0 HA LYS A 39 -9.964 -5.957 -4.185 1.00 1.00 H new ATOM 0 HB2 LYS A 39 -11.617 -3.933 -2.585 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -11.088 -5.486 -1.969 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -8.695 -4.829 -2.347 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -9.216 -3.282 -2.984 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -10.319 -2.741 -0.793 1.00 1.00 H new ATOM 0 HD3 LYS A 39 -9.824 -4.296 -0.154 1.00 1.00 H new ATOM 0 HE2 LYS A 39 -8.217 -2.542 0.556 1.00 1.00 H new ATOM 0 HE3 LYS A 39 -7.418 -3.689 -0.500 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 -7.095 -1.218 -0.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 -7.496 -2.212 -2.302 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 -8.683 -1.231 -1.586 1.00 1.00 H new ATOM 618 N PHE A 40 -12.016 -7.254 -4.665 1.00 1.00 N ATOM 619 CA PHE A 40 -13.180 -8.084 -4.970 1.00 1.00 C ATOM 620 C PHE A 40 -13.769 -8.641 -3.673 1.00 1.00 C ATOM 621 O PHE A 40 -13.046 -9.083 -2.778 1.00 1.00 O ATOM 622 CB PHE A 40 -12.737 -9.254 -5.871 1.00 1.00 C ATOM 623 CG PHE A 40 -12.007 -8.704 -7.096 1.00 1.00 C ATOM 624 CD1 PHE A 40 -12.719 -8.380 -8.266 1.00 1.00 C ATOM 625 CD2 PHE A 40 -10.614 -8.515 -7.060 1.00 1.00 C ATOM 626 CE1 PHE A 40 -12.040 -7.875 -9.382 1.00 1.00 C ATOM 627 CE2 PHE A 40 -9.941 -8.012 -8.176 1.00 1.00 C ATOM 628 CZ PHE A 40 -10.653 -7.692 -9.337 1.00 1.00 C ATOM 0 H PHE A 40 -11.137 -7.772 -4.646 1.00 1.00 H new ATOM 0 HA PHE A 40 -13.934 -7.485 -5.480 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -12.083 -9.927 -5.316 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -13.604 -9.836 -6.182 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -13.789 -8.521 -8.303 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -10.062 -8.760 -6.165 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -12.588 -7.626 -10.279 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -8.871 -7.870 -8.143 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.132 -7.303 -10.199 1.00 1.00 H new ATOM 638 N SER A 41 -15.098 -8.622 -3.599 1.00 1.00 N ATOM 639 CA SER A 41 -15.827 -9.121 -2.442 1.00 1.00 C ATOM 640 C SER A 41 -15.706 -10.635 -2.345 1.00 1.00 C ATOM 641 O SER A 41 -15.238 -11.299 -3.273 1.00 1.00 O ATOM 642 CB SER A 41 -17.308 -8.734 -2.575 1.00 1.00 C ATOM 643 OG SER A 41 -17.423 -7.320 -2.651 1.00 1.00 O ATOM 0 H SER A 41 -15.697 -8.260 -4.341 1.00 1.00 H new ATOM 0 HA SER A 41 -15.404 -8.679 -1.540 1.00 1.00 H new ATOM 0 HB2 SER A 41 -17.736 -9.193 -3.466 1.00 1.00 H new ATOM 0 HB3 SER A 41 -17.871 -9.110 -1.721 1.00 1.00 H new ATOM 0 HG SER A 41 -18.367 -7.073 -2.738 1.00 1.00 H new ATOM 649 N ASP A 42 -16.145 -11.170 -1.212 1.00 1.00 N ATOM 650 CA ASP A 42 -16.111 -12.608 -0.971 1.00 1.00 C ATOM 651 C ASP A 42 -17.052 -13.325 -1.934 1.00 1.00 C ATOM 652 O ASP A 42 -16.911 -14.523 -2.146 1.00 1.00 O ATOM 653 CB ASP A 42 -16.513 -12.903 0.482 1.00 1.00 C ATOM 654 CG ASP A 42 -15.495 -12.294 1.449 1.00 1.00 C ATOM 655 OD1 ASP A 42 -14.344 -12.159 1.066 1.00 1.00 O ATOM 656 OD2 ASP A 42 -15.884 -11.977 2.561 1.00 1.00 O ATOM 0 H ASP A 42 -16.531 -10.626 -0.441 1.00 1.00 H new ATOM 0 HA ASP A 42 -15.097 -12.972 -1.139 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -17.504 -12.495 0.682 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -16.574 -13.980 0.638 1.00 1.00 H new ATOM 661 N ALA A 43 -18.024 -12.603 -2.509 1.00 1.00 N ATOM 662 CA ALA A 43 -18.980 -13.209 -3.465 1.00 1.00 C ATOM 663 C ALA A 43 -18.467 -13.064 -4.905 1.00 1.00 C ATOM 664 O ALA A 43 -19.028 -13.641 -5.835 1.00 1.00 O ATOM 665 CB ALA A 43 -20.347 -12.536 -3.330 1.00 1.00 C ATOM 0 H ALA A 43 -18.174 -11.609 -2.336 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.076 -14.270 -3.235 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -21.045 -12.986 -4.036 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -20.720 -12.670 -2.315 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.251 -11.471 -3.543 1.00 1.00 H new ATOM 671 N GLU A 44 -17.403 -12.264 -5.078 1.00 1.00 N ATOM 672 CA GLU A 44 -16.796 -11.996 -6.400 1.00 1.00 C ATOM 673 C GLU A 44 -15.442 -12.699 -6.547 1.00 1.00 C ATOM 674 O GLU A 44 -15.023 -13.007 -7.664 1.00 1.00 O ATOM 675 CB GLU A 44 -16.606 -10.472 -6.557 1.00 1.00 C ATOM 676 CG GLU A 44 -17.980 -9.777 -6.577 1.00 1.00 C ATOM 677 CD GLU A 44 -17.825 -8.257 -6.702 1.00 1.00 C ATOM 678 OE1 GLU A 44 -16.699 -7.786 -6.757 1.00 1.00 O ATOM 679 OE2 GLU A 44 -18.843 -7.585 -6.742 1.00 1.00 O ATOM 0 H GLU A 44 -16.937 -11.783 -4.309 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.459 -12.382 -7.174 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -16.004 -10.084 -5.735 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.065 -10.256 -7.478 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.571 -10.156 -7.411 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -18.526 -10.017 -5.665 1.00 1.00 H new ATOM 686 N CYS A 45 -14.755 -12.953 -5.432 1.00 1.00 N ATOM 687 CA CYS A 45 -13.445 -13.626 -5.486 1.00 1.00 C ATOM 688 C CYS A 45 -13.613 -15.098 -5.933 1.00 1.00 C ATOM 689 O CYS A 45 -12.858 -15.571 -6.781 1.00 1.00 O ATOM 690 CB CYS A 45 -12.724 -13.522 -4.091 1.00 1.00 C ATOM 691 SG CYS A 45 -11.016 -12.912 -4.272 1.00 1.00 S ATOM 0 H CYS A 45 -15.072 -12.710 -4.493 1.00 1.00 H new ATOM 0 HA CYS A 45 -12.817 -13.127 -6.224 1.00 1.00 H new ATOM 0 HB2 CYS A 45 -13.284 -12.852 -3.439 1.00 1.00 H new ATOM 0 HB3 CYS A 45 -12.714 -14.500 -3.611 1.00 1.00 H new ATOM 0 HG CYS A 45 -10.455 -12.838 -3.101 1.00 1.00 H new ATOM 697 N PRO A 46 -14.576 -15.837 -5.387 1.00 1.00 N ATOM 698 CA PRO A 46 -14.795 -17.276 -5.762 1.00 1.00 C ATOM 699 C PRO A 46 -15.172 -17.446 -7.237 1.00 1.00 C ATOM 700 O PRO A 46 -14.557 -18.229 -7.960 1.00 1.00 O ATOM 701 CB PRO A 46 -15.958 -17.737 -4.830 1.00 1.00 C ATOM 702 CG PRO A 46 -15.953 -16.740 -3.708 1.00 1.00 C ATOM 703 CD PRO A 46 -15.562 -15.411 -4.375 1.00 1.00 C ATOM 0 HA PRO A 46 -13.888 -17.867 -5.638 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -16.913 -17.738 -5.356 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -15.795 -18.750 -4.462 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -16.932 -16.673 -3.233 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -15.240 -17.019 -2.932 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -16.421 -14.917 -4.829 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -15.132 -14.710 -3.660 1.00 1.00 H new ATOM 711 N LYS A 47 -16.209 -16.715 -7.657 1.00 1.00 N ATOM 712 CA LYS A 47 -16.707 -16.802 -9.031 1.00 1.00 C ATOM 713 C LYS A 47 -15.586 -16.562 -10.034 1.00 1.00 C ATOM 714 O LYS A 47 -15.542 -17.197 -11.084 1.00 1.00 O ATOM 715 CB LYS A 47 -17.840 -15.777 -9.250 1.00 1.00 C ATOM 716 CG LYS A 47 -19.014 -15.997 -8.253 1.00 1.00 C ATOM 717 CD LYS A 47 -19.806 -17.286 -8.570 1.00 1.00 C ATOM 718 CE LYS A 47 -20.975 -17.432 -7.591 1.00 1.00 C ATOM 719 NZ LYS A 47 -21.717 -18.685 -7.912 1.00 1.00 N ATOM 0 H LYS A 47 -16.718 -16.058 -7.066 1.00 1.00 H new ATOM 0 HA LYS A 47 -17.097 -17.807 -9.189 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -17.446 -14.768 -9.131 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -18.210 -15.857 -10.272 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -18.622 -16.052 -7.237 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -19.686 -15.140 -8.289 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -20.179 -17.252 -9.594 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -19.150 -18.153 -8.499 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -20.607 -17.464 -6.566 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -21.639 -16.571 -7.665 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -22.514 -18.795 -7.253 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -22.078 -18.635 -8.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -21.078 -19.500 -7.821 1.00 1.00 H new ATOM 733 N LEU A 48 -14.669 -15.654 -9.714 1.00 1.00 N ATOM 734 CA LEU A 48 -13.544 -15.378 -10.607 1.00 1.00 C ATOM 735 C LEU A 48 -12.498 -16.502 -10.507 1.00 1.00 C ATOM 736 O LEU A 48 -11.852 -16.855 -11.494 1.00 1.00 O ATOM 737 CB LEU A 48 -12.910 -14.006 -10.248 1.00 1.00 C ATOM 738 CG LEU A 48 -11.999 -13.476 -11.415 1.00 1.00 C ATOM 739 CD1 LEU A 48 -12.838 -12.735 -12.485 1.00 1.00 C ATOM 740 CD2 LEU A 48 -10.933 -12.503 -10.863 1.00 1.00 C ATOM 0 H LEU A 48 -14.679 -15.103 -8.856 1.00 1.00 H new ATOM 0 HA LEU A 48 -13.905 -15.337 -11.635 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -13.698 -13.282 -10.041 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -12.319 -14.103 -9.337 1.00 1.00 H new ATOM 0 HG LEU A 48 -11.516 -14.340 -11.872 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -12.182 -12.379 -13.280 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -13.578 -13.417 -12.903 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -13.345 -11.886 -12.026 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -10.309 -12.144 -11.682 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -11.426 -11.657 -10.384 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -10.311 -13.021 -10.133 1.00 1.00 H new ATOM 752 N ASP A 49 -12.313 -17.026 -9.288 1.00 1.00 N ATOM 753 CA ASP A 49 -11.315 -18.075 -9.040 1.00 1.00 C ATOM 754 C ASP A 49 -11.636 -19.360 -9.808 1.00 1.00 C ATOM 755 O ASP A 49 -10.740 -20.178 -10.022 1.00 1.00 O ATOM 756 CB ASP A 49 -11.228 -18.368 -7.531 1.00 1.00 C ATOM 757 CG ASP A 49 -10.108 -19.366 -7.234 1.00 1.00 C ATOM 758 OD1 ASP A 49 -9.018 -19.179 -7.753 1.00 1.00 O ATOM 759 OD2 ASP A 49 -10.357 -20.303 -6.494 1.00 1.00 O ATOM 0 H ASP A 49 -12.839 -16.742 -8.461 1.00 1.00 H new ATOM 0 HA ASP A 49 -10.352 -17.710 -9.398 1.00 1.00 H new ATOM 0 HB2 ASP A 49 -11.049 -17.441 -6.986 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -12.179 -18.767 -7.178 1.00 1.00 H new ATOM 764 N VAL A 50 -12.905 -19.537 -10.227 1.00 1.00 N ATOM 765 CA VAL A 50 -13.312 -20.743 -10.991 1.00 1.00 C ATOM 766 C VAL A 50 -13.311 -20.441 -12.489 1.00 1.00 C ATOM 767 O VAL A 50 -13.425 -21.355 -13.309 1.00 1.00 O ATOM 768 CB VAL A 50 -14.687 -21.258 -10.518 1.00 1.00 C ATOM 769 CG1 VAL A 50 -14.583 -21.732 -9.059 1.00 1.00 C ATOM 770 CG2 VAL A 50 -15.726 -20.133 -10.611 1.00 1.00 C ATOM 0 H VAL A 50 -13.660 -18.873 -10.055 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.588 -21.537 -10.804 1.00 1.00 H new ATOM 0 HB VAL A 50 -14.995 -22.088 -11.154 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.554 -22.096 -8.725 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -13.851 -22.536 -8.989 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -14.270 -20.900 -8.428 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -16.695 -20.504 -10.275 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -15.418 -19.300 -9.979 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -15.805 -19.795 -11.644 1.00 1.00 H new ATOM 780 N VAL A 51 -13.144 -19.159 -12.846 1.00 1.00 N ATOM 781 CA VAL A 51 -13.078 -18.734 -14.263 1.00 1.00 C ATOM 782 C VAL A 51 -11.607 -18.701 -14.733 1.00 1.00 C ATOM 783 O VAL A 51 -11.334 -18.830 -15.926 1.00 1.00 O ATOM 784 CB VAL A 51 -13.754 -17.332 -14.422 1.00 1.00 C ATOM 785 CG1 VAL A 51 -13.407 -16.674 -15.791 1.00 1.00 C ATOM 786 CG2 VAL A 51 -15.291 -17.476 -14.310 1.00 1.00 C ATOM 0 H VAL A 51 -13.052 -18.394 -12.177 1.00 1.00 H new ATOM 0 HA VAL A 51 -13.616 -19.448 -14.887 1.00 1.00 H new ATOM 0 HB VAL A 51 -13.372 -16.692 -13.626 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -13.896 -15.702 -15.862 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -12.328 -16.544 -15.869 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -13.755 -17.315 -16.601 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -15.757 -16.497 -14.421 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -15.652 -18.141 -15.094 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -15.547 -17.891 -13.335 1.00 1.00 H new ATOM 796 N PHE A 52 -10.665 -18.498 -13.802 1.00 1.00 N ATOM 797 CA PHE A 52 -9.234 -18.426 -14.161 1.00 1.00 C ATOM 798 C PHE A 52 -8.745 -19.775 -14.749 1.00 1.00 C ATOM 799 O PHE A 52 -8.100 -19.786 -15.797 1.00 1.00 O ATOM 800 CB PHE A 52 -8.382 -17.992 -12.902 1.00 1.00 C ATOM 801 CG PHE A 52 -7.612 -16.681 -13.158 1.00 1.00 C ATOM 802 CD1 PHE A 52 -6.415 -16.712 -13.891 1.00 1.00 C ATOM 803 CD2 PHE A 52 -8.090 -15.451 -12.664 1.00 1.00 C ATOM 804 CE1 PHE A 52 -5.705 -15.528 -14.131 1.00 1.00 C ATOM 805 CE2 PHE A 52 -7.374 -14.271 -12.906 1.00 1.00 C ATOM 806 CZ PHE A 52 -6.183 -14.310 -13.637 1.00 1.00 C ATOM 0 H PHE A 52 -10.859 -18.382 -12.807 1.00 1.00 H new ATOM 0 HA PHE A 52 -9.100 -17.671 -14.935 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -9.041 -17.865 -12.043 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.677 -18.784 -12.649 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.040 -17.651 -14.271 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -9.009 -15.418 -12.098 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -4.787 -15.556 -14.699 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -7.743 -13.329 -12.527 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.632 -13.399 -13.820 1.00 1.00 H new ATOM 816 N PRO A 53 -9.042 -20.901 -14.119 1.00 1.00 N ATOM 817 CA PRO A 53 -8.611 -22.246 -14.631 1.00 1.00 C ATOM 818 C PRO A 53 -9.060 -22.477 -16.080 1.00 1.00 C ATOM 819 O PRO A 53 -8.323 -23.039 -16.890 1.00 1.00 O ATOM 820 CB PRO A 53 -9.300 -23.245 -13.655 1.00 1.00 C ATOM 821 CG PRO A 53 -9.470 -22.455 -12.391 1.00 1.00 C ATOM 822 CD PRO A 53 -9.818 -21.038 -12.876 1.00 1.00 C ATOM 0 HA PRO A 53 -7.527 -22.356 -14.656 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -10.259 -23.587 -14.044 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -8.687 -24.132 -13.493 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -10.262 -22.868 -11.767 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -8.558 -22.459 -11.793 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -10.887 -20.926 -13.056 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -9.538 -20.282 -12.142 1.00 1.00 H new ATOM 830 N HIS A 54 -10.279 -22.028 -16.392 1.00 1.00 N ATOM 831 CA HIS A 54 -10.828 -22.183 -17.740 1.00 1.00 C ATOM 832 C HIS A 54 -9.968 -21.424 -18.747 1.00 1.00 C ATOM 833 O HIS A 54 -9.665 -21.926 -19.828 1.00 1.00 O ATOM 834 CB HIS A 54 -12.279 -21.668 -17.784 1.00 1.00 C ATOM 835 CG HIS A 54 -12.877 -21.933 -19.143 1.00 1.00 C ATOM 836 ND1 HIS A 54 -12.848 -20.993 -20.160 1.00 1.00 N ATOM 837 CD2 HIS A 54 -13.494 -23.040 -19.673 1.00 1.00 C ATOM 838 CE1 HIS A 54 -13.428 -21.547 -21.240 1.00 1.00 C ATOM 839 NE2 HIS A 54 -13.839 -22.795 -20.998 1.00 1.00 N ATOM 0 H HIS A 54 -10.900 -21.557 -15.734 1.00 1.00 H new ATOM 0 HA HIS A 54 -10.824 -23.241 -18.002 1.00 1.00 H new ATOM 0 HB2 HIS A 54 -12.872 -22.161 -17.014 1.00 1.00 H new ATOM 0 HB3 HIS A 54 -12.302 -20.600 -17.569 1.00 1.00 H new ATOM 0 HD2 HIS A 54 -13.683 -23.961 -19.141 1.00 1.00 H new ATOM 0 HE1 HIS A 54 -13.547 -21.044 -22.188 1.00 1.00 H new ATOM 0 HE2 HIS A 54 -14.305 -23.431 -21.645 1.00 1.00 H new ATOM 848 N PHE A 55 -9.568 -20.216 -18.375 1.00 1.00 N ATOM 849 CA PHE A 55 -8.730 -19.401 -19.242 1.00 1.00 C ATOM 850 C PHE A 55 -7.373 -20.063 -19.454 1.00 1.00 C ATOM 851 O PHE A 55 -6.865 -20.076 -20.569 1.00 1.00 O ATOM 852 CB PHE A 55 -8.519 -18.012 -18.604 1.00 1.00 C ATOM 853 CG PHE A 55 -7.767 -17.097 -19.575 1.00 1.00 C ATOM 854 CD1 PHE A 55 -8.481 -16.351 -20.525 1.00 1.00 C ATOM 855 CD2 PHE A 55 -6.365 -17.010 -19.534 1.00 1.00 C ATOM 856 CE1 PHE A 55 -7.801 -15.524 -21.424 1.00 1.00 C ATOM 857 CE2 PHE A 55 -5.685 -16.180 -20.436 1.00 1.00 C ATOM 858 CZ PHE A 55 -6.403 -15.437 -21.380 1.00 1.00 C ATOM 0 H PHE A 55 -9.809 -19.781 -17.484 1.00 1.00 H new ATOM 0 HA PHE A 55 -9.229 -19.297 -20.205 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.482 -17.571 -18.348 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -7.957 -18.111 -17.676 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -9.558 -16.416 -20.562 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -5.810 -17.584 -18.806 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -8.354 -14.951 -22.154 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -4.608 -16.114 -20.403 1.00 1.00 H new ATOM 0 HZ PHE A 55 -5.880 -14.797 -22.075 1.00 1.00 H new ATOM 868 N ILE A 56 -6.783 -20.611 -18.394 1.00 1.00 N ATOM 869 CA ILE A 56 -5.471 -21.260 -18.513 1.00 1.00 C ATOM 870 C ILE A 56 -5.606 -22.562 -19.302 1.00 1.00 C ATOM 871 O ILE A 56 -4.667 -22.981 -19.977 1.00 1.00 O ATOM 872 CB ILE A 56 -4.871 -21.514 -17.108 1.00 1.00 C ATOM 873 CG1 ILE A 56 -4.771 -20.168 -16.333 1.00 1.00 C ATOM 874 CG2 ILE A 56 -3.467 -22.154 -17.236 1.00 1.00 C ATOM 875 CD1 ILE A 56 -4.428 -20.422 -14.858 1.00 1.00 C ATOM 0 H ILE A 56 -7.181 -20.622 -17.455 1.00 1.00 H new ATOM 0 HA ILE A 56 -4.790 -20.603 -19.054 1.00 1.00 H new ATOM 0 HB ILE A 56 -5.520 -22.198 -16.561 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -4.007 -19.536 -16.787 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -5.715 -19.629 -16.405 1.00 1.00 H new ATOM 0 HG21 ILE A 56 -3.055 -22.328 -16.242 1.00 1.00 H new ATOM 0 HG22 ILE A 56 -3.547 -23.102 -17.767 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -2.810 -21.483 -17.789 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -4.362 -19.470 -14.331 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -5.206 -21.035 -14.404 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -3.472 -20.941 -14.791 1.00 1.00 H new ATOM 887 N SER A 57 -6.771 -23.204 -19.212 1.00 1.00 N ATOM 888 CA SER A 57 -6.992 -24.465 -19.925 1.00 1.00 C ATOM 889 C SER A 57 -6.855 -24.273 -21.438 1.00 1.00 C ATOM 890 O SER A 57 -6.229 -25.084 -22.121 1.00 1.00 O ATOM 891 CB SER A 57 -8.382 -25.015 -19.596 1.00 1.00 C ATOM 892 OG SER A 57 -8.507 -25.161 -18.187 1.00 1.00 O ATOM 0 H SER A 57 -7.566 -22.879 -18.662 1.00 1.00 H new ATOM 0 HA SER A 57 -6.233 -25.177 -19.599 1.00 1.00 H new ATOM 0 HB2 SER A 57 -9.151 -24.341 -19.973 1.00 1.00 H new ATOM 0 HB3 SER A 57 -8.531 -25.976 -20.088 1.00 1.00 H new ATOM 0 HG SER A 57 -8.756 -24.300 -17.790 1.00 1.00 H new ATOM 898 N GLN A 58 -7.438 -23.188 -21.953 1.00 1.00 N ATOM 899 CA GLN A 58 -7.374 -22.883 -23.390 1.00 1.00 C ATOM 900 C GLN A 58 -5.941 -22.504 -23.790 1.00 1.00 C ATOM 901 O GLN A 58 -5.516 -22.787 -24.911 1.00 1.00 O ATOM 902 CB GLN A 58 -8.372 -21.730 -23.730 1.00 1.00 C ATOM 903 CG GLN A 58 -9.781 -22.284 -24.042 1.00 1.00 C ATOM 904 CD GLN A 58 -10.315 -23.095 -22.864 1.00 1.00 C ATOM 905 OE1 GLN A 58 -10.848 -22.531 -21.912 1.00 1.00 O ATOM 906 NE2 GLN A 58 -10.194 -24.395 -22.873 1.00 1.00 N ATOM 0 H GLN A 58 -7.959 -22.506 -21.401 1.00 1.00 H new ATOM 0 HA GLN A 58 -7.660 -23.768 -23.958 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -8.429 -21.036 -22.892 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -8.002 -21.166 -24.586 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -10.461 -21.460 -24.261 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -9.742 -22.910 -24.933 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -9.751 -24.860 -23.665 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -10.543 -24.945 -22.088 1.00 1.00 H new ATOM 915 N ILE A 59 -5.200 -21.853 -22.886 1.00 1.00 N ATOM 916 CA ILE A 59 -3.823 -21.443 -23.197 1.00 1.00 C ATOM 917 C ILE A 59 -2.973 -22.692 -23.456 1.00 1.00 C ATOM 918 O ILE A 59 -2.193 -22.735 -24.405 1.00 1.00 O ATOM 919 CB ILE A 59 -3.253 -20.609 -22.012 1.00 1.00 C ATOM 920 CG1 ILE A 59 -4.061 -19.267 -21.851 1.00 1.00 C ATOM 921 CG2 ILE A 59 -1.737 -20.312 -22.214 1.00 1.00 C ATOM 922 CD1 ILE A 59 -3.595 -18.146 -22.801 1.00 1.00 C ATOM 0 H ILE A 59 -5.521 -21.602 -21.951 1.00 1.00 H new ATOM 0 HA ILE A 59 -3.805 -20.821 -24.092 1.00 1.00 H new ATOM 0 HB ILE A 59 -3.362 -21.196 -21.100 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -5.118 -19.466 -22.029 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -3.971 -18.920 -20.822 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -1.365 -19.728 -21.372 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -1.187 -21.251 -22.275 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -1.596 -19.748 -23.136 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -4.197 -17.253 -22.633 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -2.547 -17.918 -22.609 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -3.712 -18.473 -23.834 1.00 1.00 H new ATOM 934 N GLU A 60 -3.112 -23.706 -22.601 1.00 1.00 N ATOM 935 CA GLU A 60 -2.335 -24.935 -22.760 1.00 1.00 C ATOM 936 C GLU A 60 -2.602 -25.564 -24.136 1.00 1.00 C ATOM 937 O GLU A 60 -1.685 -26.063 -24.791 1.00 1.00 O ATOM 938 CB GLU A 60 -2.699 -25.929 -21.619 1.00 1.00 C ATOM 939 CG GLU A 60 -1.568 -26.953 -21.374 1.00 1.00 C ATOM 940 CD GLU A 60 -1.312 -27.790 -22.625 1.00 1.00 C ATOM 941 OE1 GLU A 60 -2.277 -28.215 -23.239 1.00 1.00 O ATOM 942 OE2 GLU A 60 -0.153 -27.994 -22.952 1.00 1.00 O ATOM 0 H GLU A 60 -3.746 -23.702 -21.802 1.00 1.00 H new ATOM 0 HA GLU A 60 -1.272 -24.700 -22.699 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -2.894 -25.374 -20.701 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -3.618 -26.456 -21.874 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -0.655 -26.431 -21.087 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -1.836 -27.606 -20.543 1.00 1.00 H new ATOM 949 N SER A 61 -3.871 -25.530 -24.568 1.00 1.00 N ATOM 950 CA SER A 61 -4.259 -26.090 -25.876 1.00 1.00 C ATOM 951 C SER A 61 -3.849 -25.148 -27.007 1.00 1.00 C ATOM 952 O SER A 61 -3.592 -25.594 -28.125 1.00 1.00 O ATOM 953 CB SER A 61 -5.764 -26.368 -25.921 1.00 1.00 C ATOM 954 OG SER A 61 -6.125 -27.205 -24.830 1.00 1.00 O ATOM 0 H SER A 61 -4.642 -25.125 -24.038 1.00 1.00 H new ATOM 0 HA SER A 61 -3.735 -27.036 -26.012 1.00 1.00 H new ATOM 0 HB2 SER A 61 -6.319 -25.431 -25.873 1.00 1.00 H new ATOM 0 HB3 SER A 61 -6.028 -26.847 -26.864 1.00 1.00 H new ATOM 0 HG SER A 61 -7.089 -27.381 -24.858 1.00 1.00 H new ATOM 960 N MET A 62 -3.777 -23.849 -26.719 1.00 1.00 N ATOM 961 CA MET A 62 -3.382 -22.870 -27.736 1.00 1.00 C ATOM 962 C MET A 62 -1.976 -23.185 -28.249 1.00 1.00 C ATOM 963 O MET A 62 -1.706 -23.074 -29.443 1.00 1.00 O ATOM 964 CB MET A 62 -3.413 -21.451 -27.137 1.00 1.00 C ATOM 965 CG MET A 62 -3.120 -20.397 -28.221 1.00 1.00 C ATOM 966 SD MET A 62 -3.173 -18.736 -27.493 1.00 1.00 S ATOM 967 CE MET A 62 -4.969 -18.509 -27.376 1.00 1.00 C ATOM 0 H MET A 62 -3.984 -23.452 -25.803 1.00 1.00 H new ATOM 0 HA MET A 62 -4.084 -22.923 -28.569 1.00 1.00 H new ATOM 0 HB2 MET A 62 -4.389 -21.260 -26.691 1.00 1.00 H new ATOM 0 HB3 MET A 62 -2.677 -21.372 -26.337 1.00 1.00 H new ATOM 0 HG2 MET A 62 -2.140 -20.579 -28.663 1.00 1.00 H new ATOM 0 HG3 MET A 62 -3.852 -20.475 -29.025 1.00 1.00 H new ATOM 0 HE1 MET A 62 -5.191 -17.462 -27.168 1.00 1.00 H new ATOM 0 HE2 MET A 62 -5.434 -18.798 -28.318 1.00 1.00 H new ATOM 0 HE3 MET A 62 -5.363 -19.130 -26.571 1.00 1.00 H new ATOM 977 N LEU A 63 -1.084 -23.578 -27.341 1.00 1.00 N ATOM 978 CA LEU A 63 0.295 -23.905 -27.726 1.00 1.00 C ATOM 979 C LEU A 63 0.287 -25.091 -28.694 1.00 1.00 C ATOM 980 O LEU A 63 1.142 -25.194 -29.571 1.00 1.00 O ATOM 981 CB LEU A 63 1.130 -24.238 -26.459 1.00 1.00 C ATOM 982 CG LEU A 63 1.395 -22.949 -25.596 1.00 1.00 C ATOM 983 CD1 LEU A 63 1.592 -23.317 -24.110 1.00 1.00 C ATOM 984 CD2 LEU A 63 2.666 -22.218 -26.090 1.00 1.00 C ATOM 0 H LEU A 63 -1.284 -23.678 -26.346 1.00 1.00 H new ATOM 0 HA LEU A 63 0.750 -23.048 -28.224 1.00 1.00 H new ATOM 0 HB2 LEU A 63 0.603 -24.979 -25.858 1.00 1.00 H new ATOM 0 HB3 LEU A 63 2.080 -24.683 -26.753 1.00 1.00 H new ATOM 0 HG LEU A 63 0.527 -22.298 -25.702 1.00 1.00 H new ATOM 0 HD11 LEU A 63 1.774 -22.411 -23.532 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.696 -23.812 -23.736 1.00 1.00 H new ATOM 0 HD13 LEU A 63 2.445 -23.988 -24.011 1.00 1.00 H new ATOM 0 HD21 LEU A 63 2.834 -21.329 -25.482 1.00 1.00 H new ATOM 0 HD22 LEU A 63 3.525 -22.884 -26.005 1.00 1.00 H new ATOM 0 HD23 LEU A 63 2.536 -21.926 -27.132 1.00 1.00 H new ATOM 996 N THR A 64 -0.683 -25.994 -28.518 1.00 1.00 N ATOM 997 CA THR A 64 -0.804 -27.180 -29.375 1.00 1.00 C ATOM 998 C THR A 64 -1.638 -26.872 -30.624 1.00 1.00 C ATOM 999 O THR A 64 -1.161 -27.032 -31.748 1.00 1.00 O ATOM 1000 CB THR A 64 -1.460 -28.321 -28.585 1.00 1.00 C ATOM 1001 OG1 THR A 64 -2.777 -27.939 -28.212 1.00 1.00 O ATOM 1002 CG2 THR A 64 -0.640 -28.620 -27.324 1.00 1.00 C ATOM 0 H THR A 64 -1.395 -25.927 -27.791 1.00 1.00 H new ATOM 0 HA THR A 64 0.195 -27.478 -29.694 1.00 1.00 H new ATOM 0 HB THR A 64 -1.499 -29.214 -29.208 1.00 1.00 H new ATOM 0 HG1 THR A 64 -2.751 -27.067 -27.766 1.00 1.00 H new ATOM 0 HG21 THR A 64 -1.111 -29.431 -26.768 1.00 1.00 H new ATOM 0 HG22 THR A 64 0.370 -28.914 -27.608 1.00 1.00 H new ATOM 0 HG23 THR A 64 -0.596 -27.728 -26.699 1.00 1.00 H new ATOM 1010 N THR A 65 -2.897 -26.460 -30.424 1.00 1.00 N ATOM 1011 CA THR A 65 -3.807 -26.159 -31.548 1.00 1.00 C ATOM 1012 C THR A 65 -3.529 -24.788 -32.175 1.00 1.00 C ATOM 1013 O THR A 65 -3.604 -24.635 -33.394 1.00 1.00 O ATOM 1014 CB THR A 65 -5.261 -26.191 -31.051 1.00 1.00 C ATOM 1015 OG1 THR A 65 -5.439 -25.181 -30.067 1.00 1.00 O ATOM 1016 CG2 THR A 65 -5.575 -27.559 -30.436 1.00 1.00 C ATOM 0 H THR A 65 -3.311 -26.327 -29.501 1.00 1.00 H new ATOM 0 HA THR A 65 -3.639 -26.917 -32.313 1.00 1.00 H new ATOM 0 HB THR A 65 -5.933 -26.015 -31.891 1.00 1.00 H new ATOM 0 HG1 THR A 65 -4.874 -25.377 -29.291 1.00 1.00 H new ATOM 0 HG21 THR A 65 -6.607 -27.572 -30.087 1.00 1.00 H new ATOM 0 HG22 THR A 65 -5.436 -28.336 -31.187 1.00 1.00 H new ATOM 0 HG23 THR A 65 -4.905 -27.743 -29.596 1.00 1.00 H new ATOM 1024 N GLY A 66 -3.230 -23.790 -31.340 1.00 1.00 N ATOM 1025 CA GLY A 66 -2.963 -22.424 -31.825 1.00 1.00 C ATOM 1026 C GLY A 66 -1.537 -22.290 -32.337 1.00 1.00 C ATOM 1027 O GLY A 66 -1.209 -21.349 -33.061 1.00 1.00 O ATOM 0 H GLY A 66 -3.166 -23.896 -30.328 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -3.663 -22.175 -32.622 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -3.131 -21.710 -31.019 1.00 1.00 H new ATOM 1031 N GLU A 67 -0.705 -23.256 -31.954 1.00 1.00 N ATOM 1032 CA GLU A 67 0.711 -23.301 -32.352 1.00 1.00 C ATOM 1033 C GLU A 67 1.352 -21.913 -32.312 1.00 1.00 C ATOM 1034 O GLU A 67 1.493 -21.255 -33.342 1.00 1.00 O ATOM 1035 CB GLU A 67 0.833 -23.890 -33.766 1.00 1.00 C ATOM 1036 CG GLU A 67 0.287 -25.323 -33.774 1.00 1.00 C ATOM 1037 CD GLU A 67 0.372 -25.933 -35.179 1.00 1.00 C ATOM 1038 OE1 GLU A 67 0.969 -25.317 -36.049 1.00 1.00 O ATOM 1039 OE2 GLU A 67 -0.169 -27.012 -35.363 1.00 1.00 O ATOM 0 H GLU A 67 -0.989 -24.034 -31.358 1.00 1.00 H new ATOM 0 HA GLU A 67 1.240 -23.934 -31.640 1.00 1.00 H new ATOM 0 HB2 GLU A 67 0.280 -23.275 -34.476 1.00 1.00 H new ATOM 0 HB3 GLU A 67 1.875 -23.885 -34.084 1.00 1.00 H new ATOM 0 HG2 GLU A 67 0.853 -25.936 -33.072 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -0.749 -25.324 -33.435 1.00 1.00 H new ATOM 1046 N LEU A 68 1.709 -21.468 -31.118 1.00 1.00 N ATOM 1047 CA LEU A 68 2.304 -20.146 -30.952 1.00 1.00 C ATOM 1048 C LEU A 68 3.777 -20.191 -31.336 1.00 1.00 C ATOM 1049 O LEU A 68 4.400 -21.255 -31.348 1.00 1.00 O ATOM 1050 CB LEU A 68 2.176 -19.705 -29.489 1.00 1.00 C ATOM 1051 CG LEU A 68 0.698 -19.701 -29.023 1.00 1.00 C ATOM 1052 CD1 LEU A 68 0.647 -19.284 -27.539 1.00 1.00 C ATOM 1053 CD2 LEU A 68 -0.167 -18.731 -29.881 1.00 1.00 C ATOM 0 H LEU A 68 1.599 -21.997 -30.253 1.00 1.00 H new ATOM 0 HA LEU A 68 1.783 -19.437 -31.596 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.757 -20.374 -28.854 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.598 -18.707 -29.371 1.00 1.00 H new ATOM 0 HG LEU A 68 0.287 -20.703 -29.147 1.00 1.00 H new ATOM 0 HD11 LEU A 68 -0.388 -19.277 -27.198 1.00 1.00 H new ATOM 0 HD12 LEU A 68 1.221 -19.993 -26.942 1.00 1.00 H new ATOM 0 HD13 LEU A 68 1.073 -18.287 -27.426 1.00 1.00 H new ATOM 0 HD21 LEU A 68 -1.198 -18.753 -29.527 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.226 -17.718 -29.792 1.00 1.00 H new ATOM 0 HD23 LEU A 68 -0.135 -19.042 -30.925 1.00 1.00 H new ATOM 1065 N ASN A 69 4.313 -19.018 -31.670 1.00 1.00 N ATOM 1066 CA ASN A 69 5.709 -18.869 -32.088 1.00 1.00 C ATOM 1067 C ASN A 69 6.341 -17.651 -31.397 1.00 1.00 C ATOM 1068 O ASN A 69 6.473 -16.591 -32.007 1.00 1.00 O ATOM 1069 CB ASN A 69 5.748 -18.691 -33.610 1.00 1.00 C ATOM 1070 CG ASN A 69 5.103 -19.898 -34.285 1.00 1.00 C ATOM 1071 OD1 ASN A 69 4.100 -19.756 -34.986 1.00 1.00 O ATOM 1072 ND2 ASN A 69 5.617 -21.084 -34.107 1.00 1.00 N ATOM 0 H ASN A 69 3.792 -18.141 -31.659 1.00 1.00 H new ATOM 0 HA ASN A 69 6.276 -19.756 -31.805 1.00 1.00 H new ATOM 0 HB2 ASN A 69 5.222 -17.779 -33.893 1.00 1.00 H new ATOM 0 HB3 ASN A 69 6.779 -18.581 -33.947 1.00 1.00 H new ATOM 0 HD21 ASN A 69 5.188 -21.897 -34.549 1.00 1.00 H new ATOM 0 HD22 ASN A 69 6.448 -21.198 -33.526 1.00 1.00 H new ATOM 1079 N PRO A 70 6.746 -17.777 -30.144 1.00 1.00 N ATOM 1080 CA PRO A 70 7.393 -16.650 -29.391 1.00 1.00 C ATOM 1081 C PRO A 70 8.562 -16.033 -30.174 1.00 1.00 C ATOM 1082 O PRO A 70 9.055 -14.964 -29.818 1.00 1.00 O ATOM 1083 CB PRO A 70 7.872 -17.320 -28.076 1.00 1.00 C ATOM 1084 CG PRO A 70 6.931 -18.471 -27.876 1.00 1.00 C ATOM 1085 CD PRO A 70 6.630 -18.991 -29.296 1.00 1.00 C ATOM 0 HA PRO A 70 6.712 -15.817 -29.217 1.00 1.00 H new ATOM 0 HB2 PRO A 70 8.904 -17.661 -28.157 1.00 1.00 H new ATOM 0 HB3 PRO A 70 7.831 -16.624 -27.238 1.00 1.00 H new ATOM 0 HG2 PRO A 70 7.383 -19.248 -27.259 1.00 1.00 H new ATOM 0 HG3 PRO A 70 6.019 -18.152 -27.371 1.00 1.00 H new ATOM 0 HD2 PRO A 70 7.339 -19.761 -29.600 1.00 1.00 H new ATOM 0 HD3 PRO A 70 5.635 -19.431 -29.359 1.00 1.00 H new ATOM 1093 N ARG A 71 9.010 -16.718 -31.227 1.00 1.00 N ATOM 1094 CA ARG A 71 10.130 -16.221 -32.035 1.00 1.00 C ATOM 1095 C ARG A 71 9.672 -15.034 -32.896 1.00 1.00 C ATOM 1096 O ARG A 71 10.489 -14.294 -33.445 1.00 1.00 O ATOM 1097 CB ARG A 71 10.659 -17.367 -32.918 1.00 1.00 C ATOM 1098 CG ARG A 71 11.930 -16.933 -33.675 1.00 1.00 C ATOM 1099 CD ARG A 71 12.507 -18.122 -34.451 1.00 1.00 C ATOM 1100 NE ARG A 71 12.900 -19.186 -33.528 1.00 1.00 N ATOM 1101 CZ ARG A 71 13.425 -20.333 -33.963 1.00 1.00 C ATOM 1102 NH1 ARG A 71 13.621 -20.528 -35.241 1.00 1.00 N ATOM 1103 NH2 ARG A 71 13.745 -21.264 -33.109 1.00 1.00 N ATOM 0 H ARG A 71 8.622 -17.608 -31.540 1.00 1.00 H new ATOM 0 HA ARG A 71 10.932 -15.875 -31.383 1.00 1.00 H new ATOM 0 HB2 ARG A 71 10.878 -18.237 -32.299 1.00 1.00 H new ATOM 0 HB3 ARG A 71 9.891 -17.668 -33.630 1.00 1.00 H new ATOM 0 HG2 ARG A 71 11.695 -16.119 -34.361 1.00 1.00 H new ATOM 0 HG3 ARG A 71 12.671 -16.553 -32.972 1.00 1.00 H new ATOM 0 HD2 ARG A 71 11.767 -18.498 -35.157 1.00 1.00 H new ATOM 0 HD3 ARG A 71 13.369 -17.800 -35.035 1.00 1.00 H new ATOM 0 HE ARG A 71 12.769 -19.048 -32.526 1.00 1.00 H new ATOM 0 HH11 ARG A 71 13.372 -19.801 -35.912 1.00 1.00 H new ATOM 0 HH12 ARG A 71 14.023 -21.407 -35.567 1.00 1.00 H new ATOM 0 HH21 ARG A 71 13.594 -21.115 -32.111 1.00 1.00 H new ATOM 0 HH22 ARG A 71 14.146 -22.142 -33.438 1.00 1.00 H new ATOM 1117 N HIS A 72 8.343 -14.856 -33.000 1.00 1.00 N ATOM 1118 CA HIS A 72 7.752 -13.756 -33.797 1.00 1.00 C ATOM 1119 C HIS A 72 6.561 -13.118 -33.074 1.00 1.00 C ATOM 1120 O HIS A 72 5.805 -13.793 -32.377 1.00 1.00 O ATOM 1121 CB HIS A 72 7.291 -14.307 -35.161 1.00 1.00 C ATOM 1122 CG HIS A 72 6.861 -13.176 -36.066 1.00 1.00 C ATOM 1123 ND1 HIS A 72 5.554 -12.715 -36.112 1.00 1.00 N ATOM 1124 CD2 HIS A 72 7.562 -12.402 -36.957 1.00 1.00 C ATOM 1125 CE1 HIS A 72 5.511 -11.706 -37.002 1.00 1.00 C ATOM 1126 NE2 HIS A 72 6.709 -11.474 -37.546 1.00 1.00 N ATOM 0 H HIS A 72 7.656 -15.456 -32.545 1.00 1.00 H new ATOM 0 HA HIS A 72 8.513 -12.988 -33.937 1.00 1.00 H new ATOM 0 HB2 HIS A 72 8.102 -14.867 -35.627 1.00 1.00 H new ATOM 0 HB3 HIS A 72 6.464 -15.003 -35.019 1.00 1.00 H new ATOM 0 HD1 HIS A 72 4.768 -13.075 -35.570 1.00 1.00 H new ATOM 0 HD2 HIS A 72 8.617 -12.499 -37.169 1.00 1.00 H new ATOM 0 HE1 HIS A 72 4.617 -11.152 -37.247 1.00 1.00 H new ATOM 1135 N ALA A 73 6.413 -11.800 -33.246 1.00 1.00 N ATOM 1136 CA ALA A 73 5.327 -11.060 -32.605 1.00 1.00 C ATOM 1137 C ALA A 73 3.975 -11.655 -33.000 1.00 1.00 C ATOM 1138 O ALA A 73 3.781 -12.062 -34.145 1.00 1.00 O ATOM 1139 CB ALA A 73 5.385 -9.590 -33.041 1.00 1.00 C ATOM 0 H ALA A 73 7.030 -11.228 -33.822 1.00 1.00 H new ATOM 0 HA ALA A 73 5.441 -11.129 -31.523 1.00 1.00 H new ATOM 0 HB1 ALA A 73 4.576 -9.037 -32.564 1.00 1.00 H new ATOM 0 HB2 ALA A 73 6.342 -9.160 -32.745 1.00 1.00 H new ATOM 0 HB3 ALA A 73 5.278 -9.527 -34.124 1.00 1.00 H new ATOM 1145 N GLN A 74 3.050 -11.717 -32.044 1.00 1.00 N ATOM 1146 CA GLN A 74 1.720 -12.281 -32.288 1.00 1.00 C ATOM 1147 C GLN A 74 0.770 -11.783 -31.200 1.00 1.00 C ATOM 1148 O GLN A 74 1.154 -11.702 -30.032 1.00 1.00 O ATOM 1149 CB GLN A 74 1.801 -13.825 -32.285 1.00 1.00 C ATOM 1150 CG GLN A 74 0.461 -14.457 -32.731 1.00 1.00 C ATOM 1151 CD GLN A 74 0.176 -14.149 -34.201 1.00 1.00 C ATOM 1152 OE1 GLN A 74 -0.817 -13.495 -34.518 1.00 1.00 O ATOM 1153 NE2 GLN A 74 1.001 -14.576 -35.117 1.00 1.00 N ATOM 0 H GLN A 74 3.196 -11.384 -31.091 1.00 1.00 H new ATOM 0 HA GLN A 74 1.346 -11.963 -33.261 1.00 1.00 H new ATOM 0 HB2 GLN A 74 2.599 -14.151 -32.952 1.00 1.00 H new ATOM 0 HB3 GLN A 74 2.057 -14.176 -31.285 1.00 1.00 H new ATOM 0 HG2 GLN A 74 0.495 -15.536 -32.581 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -0.350 -14.075 -32.111 1.00 1.00 H new ATOM 0 HE21 GLN A 74 1.823 -15.118 -34.850 1.00 1.00 H new ATOM 0 HE22 GLN A 74 0.824 -14.368 -36.100 1.00 1.00 H new ATOM 1162 N CYS A 75 -0.472 -11.451 -31.587 1.00 1.00 N ATOM 1163 CA CYS A 75 -1.493 -10.956 -30.645 1.00 1.00 C ATOM 1164 C CYS A 75 -2.802 -11.704 -30.855 1.00 1.00 C ATOM 1165 O CYS A 75 -3.158 -12.034 -31.987 1.00 1.00 O ATOM 1166 CB CYS A 75 -1.718 -9.461 -30.894 1.00 1.00 C ATOM 1167 SG CYS A 75 -0.174 -8.573 -30.584 1.00 1.00 S ATOM 0 H CYS A 75 -0.796 -11.517 -32.552 1.00 1.00 H new ATOM 0 HA CYS A 75 -1.151 -11.118 -29.623 1.00 1.00 H new ATOM 0 HB2 CYS A 75 -2.048 -9.296 -31.920 1.00 1.00 H new ATOM 0 HB3 CYS A 75 -2.506 -9.085 -30.241 1.00 1.00 H new ATOM 0 HG CYS A 75 -0.354 -7.303 -30.794 1.00 1.00 H new ATOM 1173 N VAL A 76 -3.531 -11.953 -29.759 1.00 1.00 N ATOM 1174 CA VAL A 76 -4.832 -12.644 -29.827 1.00 1.00 C ATOM 1175 C VAL A 76 -5.757 -12.110 -28.739 1.00 1.00 C ATOM 1176 O VAL A 76 -5.299 -11.734 -27.659 1.00 1.00 O ATOM 1177 CB VAL A 76 -4.622 -14.169 -29.689 1.00 1.00 C ATOM 1178 CG1 VAL A 76 -3.961 -14.499 -28.337 1.00 1.00 C ATOM 1179 CG2 VAL A 76 -5.970 -14.913 -29.808 1.00 1.00 C ATOM 0 H VAL A 76 -3.246 -11.688 -28.816 1.00 1.00 H new ATOM 0 HA VAL A 76 -5.300 -12.453 -30.793 1.00 1.00 H new ATOM 0 HB VAL A 76 -3.965 -14.498 -30.494 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -3.820 -15.577 -28.255 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -2.994 -14.000 -28.273 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -4.601 -14.154 -27.525 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -5.804 -15.986 -29.709 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -6.643 -14.576 -29.020 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -6.417 -14.704 -30.780 1.00 1.00 H new ATOM 1189 N THR A 77 -7.064 -12.093 -29.030 1.00 1.00 N ATOM 1190 CA THR A 77 -8.090 -11.620 -28.079 1.00 1.00 C ATOM 1191 C THR A 77 -9.149 -12.703 -27.884 1.00 1.00 C ATOM 1192 O THR A 77 -9.858 -13.061 -28.823 1.00 1.00 O ATOM 1193 CB THR A 77 -8.741 -10.344 -28.625 1.00 1.00 C ATOM 1194 OG1 THR A 77 -9.355 -10.624 -29.876 1.00 1.00 O ATOM 1195 CG2 THR A 77 -7.673 -9.258 -28.811 1.00 1.00 C ATOM 0 H THR A 77 -7.443 -12.404 -29.924 1.00 1.00 H new ATOM 0 HA THR A 77 -7.624 -11.403 -27.118 1.00 1.00 H new ATOM 0 HB THR A 77 -9.494 -9.992 -27.920 1.00 1.00 H new ATOM 0 HG1 THR A 77 -9.673 -11.551 -29.884 1.00 1.00 H new ATOM 0 HG21 THR A 77 -8.139 -8.352 -29.199 1.00 1.00 H new ATOM 0 HG22 THR A 77 -7.203 -9.042 -27.852 1.00 1.00 H new ATOM 0 HG23 THR A 77 -6.917 -9.608 -29.515 1.00 1.00 H new ATOM 1203 N LEU A 78 -9.243 -13.227 -26.657 1.00 1.00 N ATOM 1204 CA LEU A 78 -10.213 -14.278 -26.316 1.00 1.00 C ATOM 1205 C LEU A 78 -11.433 -13.648 -25.650 1.00 1.00 C ATOM 1206 O LEU A 78 -11.345 -12.544 -25.112 1.00 1.00 O ATOM 1207 CB LEU A 78 -9.556 -15.283 -25.346 1.00 1.00 C ATOM 1208 CG LEU A 78 -8.231 -15.831 -25.933 1.00 1.00 C ATOM 1209 CD1 LEU A 78 -7.583 -16.779 -24.905 1.00 1.00 C ATOM 1210 CD2 LEU A 78 -8.470 -16.577 -27.275 1.00 1.00 C ATOM 0 H LEU A 78 -8.654 -12.938 -25.876 1.00 1.00 H new ATOM 0 HA LEU A 78 -10.524 -14.797 -27.223 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -9.362 -14.798 -24.390 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -10.241 -16.108 -25.151 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.566 -14.993 -26.139 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.649 -17.170 -25.309 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -7.379 -16.233 -23.984 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -8.262 -17.606 -24.694 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.520 -16.948 -27.659 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -9.147 -17.415 -27.110 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -8.911 -15.892 -27.999 1.00 1.00 H new ATOM 1222 N TYR A 79 -12.571 -14.355 -25.682 1.00 1.00 N ATOM 1223 CA TYR A 79 -13.816 -13.865 -25.070 1.00 1.00 C ATOM 1224 C TYR A 79 -14.531 -15.023 -24.371 1.00 1.00 C ATOM 1225 O TYR A 79 -14.843 -16.034 -25.003 1.00 1.00 O ATOM 1226 CB TYR A 79 -14.716 -13.283 -26.170 1.00 1.00 C ATOM 1227 CG TYR A 79 -13.948 -12.203 -26.928 1.00 1.00 C ATOM 1228 CD1 TYR A 79 -13.156 -12.549 -28.038 1.00 1.00 C ATOM 1229 CD2 TYR A 79 -14.023 -10.860 -26.525 1.00 1.00 C ATOM 1230 CE1 TYR A 79 -12.449 -11.563 -28.733 1.00 1.00 C ATOM 1231 CE2 TYR A 79 -13.314 -9.876 -27.225 1.00 1.00 C ATOM 1232 CZ TYR A 79 -12.527 -10.228 -28.328 1.00 1.00 C ATOM 1233 OH TYR A 79 -11.827 -9.257 -29.015 1.00 1.00 O ATOM 0 H TYR A 79 -12.656 -15.270 -26.126 1.00 1.00 H new ATOM 0 HA TYR A 79 -13.591 -13.092 -24.336 1.00 1.00 H new ATOM 0 HB2 TYR A 79 -15.030 -14.071 -26.854 1.00 1.00 H new ATOM 0 HB3 TYR A 79 -15.621 -12.863 -25.731 1.00 1.00 H new ATOM 0 HD1 TYR A 79 -13.094 -13.580 -28.354 1.00 1.00 H new ATOM 0 HD2 TYR A 79 -14.628 -10.586 -25.674 1.00 1.00 H new ATOM 0 HE1 TYR A 79 -11.842 -11.834 -29.584 1.00 1.00 H new ATOM 0 HE2 TYR A 79 -13.374 -8.844 -26.913 1.00 1.00 H new ATOM 0 HH TYR A 79 -11.047 -9.661 -29.448 1.00 1.00 H new ATOM 1243 N HIS A 80 -14.796 -14.877 -23.067 1.00 1.00 N ATOM 1244 CA HIS A 80 -15.484 -15.923 -22.292 1.00 1.00 C ATOM 1245 C HIS A 80 -16.190 -15.301 -21.088 1.00 1.00 C ATOM 1246 O HIS A 80 -15.600 -14.493 -20.374 1.00 1.00 O ATOM 1247 CB HIS A 80 -14.457 -16.960 -21.807 1.00 1.00 C ATOM 1248 CG HIS A 80 -13.784 -17.604 -22.991 1.00 1.00 C ATOM 1249 ND1 HIS A 80 -14.421 -18.557 -23.770 1.00 1.00 N ATOM 1250 CD2 HIS A 80 -12.539 -17.438 -23.543 1.00 1.00 C ATOM 1251 CE1 HIS A 80 -13.564 -18.925 -24.741 1.00 1.00 C ATOM 1252 NE2 HIS A 80 -12.402 -18.273 -24.647 1.00 1.00 N ATOM 0 H HIS A 80 -14.547 -14.049 -22.526 1.00 1.00 H new ATOM 0 HA HIS A 80 -16.224 -16.410 -22.927 1.00 1.00 H new ATOM 0 HB2 HIS A 80 -13.713 -16.479 -21.172 1.00 1.00 H new ATOM 0 HB3 HIS A 80 -14.951 -17.719 -21.201 1.00 1.00 H new ATOM 0 HD2 HIS A 80 -11.781 -16.762 -23.176 1.00 1.00 H new ATOM 0 HE1 HIS A 80 -13.788 -19.657 -25.502 1.00 1.00 H new ATOM 0 HE2 HIS A 80 -11.588 -18.367 -25.255 1.00 1.00 H new ATOM 1261 N ASN A 81 -17.449 -15.677 -20.860 1.00 1.00 N ATOM 1262 CA ASN A 81 -18.213 -15.143 -19.727 1.00 1.00 C ATOM 1263 C ASN A 81 -18.215 -13.612 -19.729 1.00 1.00 C ATOM 1264 O ASN A 81 -18.406 -12.981 -18.691 1.00 1.00 O ATOM 1265 CB ASN A 81 -17.622 -15.661 -18.407 1.00 1.00 C ATOM 1266 CG ASN A 81 -17.554 -17.186 -18.433 1.00 1.00 C ATOM 1267 OD1 ASN A 81 -18.553 -17.847 -18.713 1.00 1.00 O ATOM 1268 ND2 ASN A 81 -16.427 -17.785 -18.157 1.00 1.00 N ATOM 0 H ASN A 81 -17.960 -16.344 -21.439 1.00 1.00 H new ATOM 0 HA ASN A 81 -19.244 -15.484 -19.825 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -16.625 -15.246 -18.257 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -18.235 -15.330 -17.569 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -16.373 -18.803 -18.173 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -15.600 -17.234 -17.925 1.00 1.00 H new ATOM 1275 N GLY A 82 -18.013 -13.027 -20.909 1.00 1.00 N ATOM 1276 CA GLY A 82 -17.993 -11.566 -21.062 1.00 1.00 C ATOM 1277 C GLY A 82 -16.600 -11.001 -20.794 1.00 1.00 C ATOM 1278 O GLY A 82 -16.237 -9.953 -21.321 1.00 1.00 O ATOM 0 H GLY A 82 -17.860 -13.541 -21.777 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -18.309 -11.299 -22.071 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -18.709 -11.116 -20.374 1.00 1.00 H new ATOM 1282 N PHE A 83 -15.804 -11.710 -19.996 1.00 1.00 N ATOM 1283 CA PHE A 83 -14.441 -11.267 -19.687 1.00 1.00 C ATOM 1284 C PHE A 83 -13.599 -11.284 -20.963 1.00 1.00 C ATOM 1285 O PHE A 83 -13.790 -12.136 -21.832 1.00 1.00 O ATOM 1286 CB PHE A 83 -13.823 -12.220 -18.621 1.00 1.00 C ATOM 1287 CG PHE A 83 -14.284 -11.827 -17.214 1.00 1.00 C ATOM 1288 CD1 PHE A 83 -15.620 -12.036 -16.844 1.00 1.00 C ATOM 1289 CD2 PHE A 83 -13.389 -11.253 -16.288 1.00 1.00 C ATOM 1290 CE1 PHE A 83 -16.061 -11.679 -15.566 1.00 1.00 C ATOM 1291 CE2 PHE A 83 -13.836 -10.897 -15.012 1.00 1.00 C ATOM 1292 CZ PHE A 83 -15.171 -11.110 -14.651 1.00 1.00 C ATOM 0 H PHE A 83 -16.074 -12.588 -19.553 1.00 1.00 H new ATOM 0 HA PHE A 83 -14.461 -10.252 -19.291 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -14.116 -13.249 -18.831 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -12.735 -12.181 -18.677 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -16.311 -12.474 -17.549 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -12.358 -11.088 -16.564 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -17.091 -11.843 -15.286 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -13.150 -10.457 -14.304 1.00 1.00 H new ATOM 0 HZ PHE A 83 -15.514 -10.835 -13.665 1.00 1.00 H new ATOM 1302 N THR A 84 -12.656 -10.334 -21.061 1.00 1.00 N ATOM 1303 CA THR A 84 -11.761 -10.230 -22.223 1.00 1.00 C ATOM 1304 C THR A 84 -10.344 -9.897 -21.751 1.00 1.00 C ATOM 1305 O THR A 84 -10.071 -8.764 -21.352 1.00 1.00 O ATOM 1306 CB THR A 84 -12.277 -9.111 -23.150 1.00 1.00 C ATOM 1307 OG1 THR A 84 -13.631 -9.376 -23.483 1.00 1.00 O ATOM 1308 CG2 THR A 84 -11.443 -9.043 -24.439 1.00 1.00 C ATOM 0 H THR A 84 -12.494 -9.625 -20.346 1.00 1.00 H new ATOM 0 HA THR A 84 -11.742 -11.177 -22.763 1.00 1.00 H new ATOM 0 HB THR A 84 -12.193 -8.156 -22.631 1.00 1.00 H new ATOM 0 HG1 THR A 84 -13.684 -9.696 -24.408 1.00 1.00 H new ATOM 0 HG21 THR A 84 -11.825 -8.247 -25.078 1.00 1.00 H new ATOM 0 HG22 THR A 84 -10.402 -8.839 -24.188 1.00 1.00 H new ATOM 0 HG23 THR A 84 -11.510 -9.995 -24.966 1.00 1.00 H new ATOM 1316 N CYS A 85 -9.440 -10.886 -21.818 1.00 1.00 N ATOM 1317 CA CYS A 85 -8.033 -10.692 -21.415 1.00 1.00 C ATOM 1318 C CYS A 85 -7.193 -10.434 -22.656 1.00 1.00 C ATOM 1319 O CYS A 85 -7.370 -11.124 -23.661 1.00 1.00 O ATOM 1320 CB CYS A 85 -7.517 -11.950 -20.705 1.00 1.00 C ATOM 1321 SG CYS A 85 -5.796 -11.698 -20.200 1.00 1.00 S ATOM 0 H CYS A 85 -9.655 -11.828 -22.146 1.00 1.00 H new ATOM 0 HA CYS A 85 -7.963 -9.843 -20.735 1.00 1.00 H new ATOM 0 HB2 CYS A 85 -8.134 -12.167 -19.833 1.00 1.00 H new ATOM 0 HB3 CYS A 85 -7.589 -12.811 -21.370 1.00 1.00 H new ATOM 0 HG CYS A 85 -5.445 -10.471 -20.451 1.00 1.00 H new ATOM 1327 N GLU A 86 -6.261 -9.473 -22.598 1.00 1.00 N ATOM 1328 CA GLU A 86 -5.386 -9.181 -23.745 1.00 1.00 C ATOM 1329 C GLU A 86 -4.075 -9.942 -23.564 1.00 1.00 C ATOM 1330 O GLU A 86 -3.502 -9.936 -22.473 1.00 1.00 O ATOM 1331 CB GLU A 86 -5.116 -7.664 -23.811 1.00 1.00 C ATOM 1332 CG GLU A 86 -4.299 -7.315 -25.070 1.00 1.00 C ATOM 1333 CD GLU A 86 -4.072 -5.803 -25.170 1.00 1.00 C ATOM 1334 OE1 GLU A 86 -4.285 -5.113 -24.186 1.00 1.00 O ATOM 1335 OE2 GLU A 86 -3.673 -5.361 -26.235 1.00 1.00 O ATOM 0 H GLU A 86 -6.093 -8.889 -21.779 1.00 1.00 H new ATOM 0 HA GLU A 86 -5.863 -9.493 -24.674 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -6.061 -7.121 -23.821 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -4.575 -7.346 -22.920 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -3.339 -7.830 -25.040 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -4.823 -7.668 -25.958 1.00 1.00 H new ATOM 1342 N ALA A 87 -3.607 -10.598 -24.627 1.00 1.00 N ATOM 1343 CA ALA A 87 -2.354 -11.373 -24.588 1.00 1.00 C ATOM 1344 C ALA A 87 -1.535 -11.069 -25.833 1.00 1.00 C ATOM 1345 O ALA A 87 -2.074 -11.083 -26.941 1.00 1.00 O ATOM 1346 CB ALA A 87 -2.688 -12.867 -24.547 1.00 1.00 C ATOM 0 H ALA A 87 -4.076 -10.611 -25.533 1.00 1.00 H new ATOM 0 HA ALA A 87 -1.780 -11.102 -23.702 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -1.765 -13.446 -24.518 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -3.280 -13.083 -23.658 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -3.258 -13.137 -25.436 1.00 1.00 H new ATOM 1352 N ASP A 88 -0.232 -10.806 -25.661 1.00 1.00 N ATOM 1353 CA ASP A 88 0.650 -10.513 -26.802 1.00 1.00 C ATOM 1354 C ASP A 88 2.064 -11.014 -26.499 1.00 1.00 C ATOM 1355 O ASP A 88 2.525 -10.908 -25.362 1.00 1.00 O ATOM 1356 CB ASP A 88 0.657 -8.999 -27.069 1.00 1.00 C ATOM 1357 CG ASP A 88 -0.772 -8.465 -27.117 1.00 1.00 C ATOM 1358 OD1 ASP A 88 -1.518 -8.901 -27.976 1.00 1.00 O ATOM 1359 OD2 ASP A 88 -1.103 -7.633 -26.287 1.00 1.00 O ATOM 0 H ASP A 88 0.232 -10.790 -24.753 1.00 1.00 H new ATOM 0 HA ASP A 88 0.283 -11.023 -27.693 1.00 1.00 H new ATOM 0 HB2 ASP A 88 1.218 -8.487 -26.287 1.00 1.00 H new ATOM 0 HB3 ASP A 88 1.162 -8.791 -28.012 1.00 1.00 H new ATOM 1364 N THR A 89 2.745 -11.577 -27.506 1.00 1.00 N ATOM 1365 CA THR A 89 4.110 -12.109 -27.315 1.00 1.00 C ATOM 1366 C THR A 89 5.172 -11.052 -27.644 1.00 1.00 C ATOM 1367 O THR A 89 6.204 -10.979 -26.993 1.00 1.00 O ATOM 1368 CB THR A 89 4.297 -13.337 -28.226 1.00 1.00 C ATOM 1369 OG1 THR A 89 4.073 -12.957 -29.576 1.00 1.00 O ATOM 1370 CG2 THR A 89 3.296 -14.434 -27.829 1.00 1.00 C ATOM 0 H THR A 89 2.382 -11.678 -28.454 1.00 1.00 H new ATOM 0 HA THR A 89 4.233 -12.391 -26.269 1.00 1.00 H new ATOM 0 HB THR A 89 5.312 -13.720 -28.116 1.00 1.00 H new ATOM 0 HG1 THR A 89 4.193 -13.736 -30.159 1.00 1.00 H new ATOM 0 HG21 THR A 89 3.431 -15.301 -28.476 1.00 1.00 H new ATOM 0 HG22 THR A 89 3.466 -14.724 -26.792 1.00 1.00 H new ATOM 0 HG23 THR A 89 2.280 -14.056 -27.937 1.00 1.00 H new ATOM 1378 N LEU A 90 4.924 -10.250 -28.680 1.00 1.00 N ATOM 1379 CA LEU A 90 5.878 -9.213 -29.118 1.00 1.00 C ATOM 1380 C LEU A 90 7.251 -9.845 -29.407 1.00 1.00 C ATOM 1381 O LEU A 90 8.283 -9.174 -29.351 1.00 1.00 O ATOM 1382 CB LEU A 90 5.991 -8.076 -28.040 1.00 1.00 C ATOM 1383 CG LEU A 90 4.912 -6.983 -28.252 1.00 1.00 C ATOM 1384 CD1 LEU A 90 3.511 -7.600 -28.154 1.00 1.00 C ATOM 1385 CD2 LEU A 90 5.073 -5.890 -27.180 1.00 1.00 C ATOM 0 H LEU A 90 4.071 -10.294 -29.237 1.00 1.00 H new ATOM 0 HA LEU A 90 5.510 -8.762 -30.039 1.00 1.00 H new ATOM 0 HB2 LEU A 90 5.884 -8.506 -27.044 1.00 1.00 H new ATOM 0 HB3 LEU A 90 6.982 -7.625 -28.088 1.00 1.00 H new ATOM 0 HG LEU A 90 5.037 -6.545 -29.242 1.00 1.00 H new ATOM 0 HD11 LEU A 90 2.760 -6.824 -28.304 1.00 1.00 H new ATOM 0 HD12 LEU A 90 3.397 -8.368 -28.919 1.00 1.00 H new ATOM 0 HD13 LEU A 90 3.378 -8.047 -27.169 1.00 1.00 H new ATOM 0 HD21 LEU A 90 4.315 -5.121 -27.328 1.00 1.00 H new ATOM 0 HD22 LEU A 90 4.954 -6.331 -26.190 1.00 1.00 H new ATOM 0 HD23 LEU A 90 6.064 -5.443 -27.262 1.00 1.00 H new ATOM 1397 N GLY A 91 7.261 -11.148 -29.693 1.00 1.00 N ATOM 1398 CA GLY A 91 8.514 -11.861 -29.963 1.00 1.00 C ATOM 1399 C GLY A 91 9.171 -12.277 -28.650 1.00 1.00 C ATOM 1400 O GLY A 91 10.331 -12.681 -28.627 1.00 1.00 O ATOM 0 H GLY A 91 6.424 -11.729 -29.744 1.00 1.00 H new ATOM 0 HA2 GLY A 91 8.317 -12.741 -30.575 1.00 1.00 H new ATOM 0 HA3 GLY A 91 9.190 -11.222 -30.531 1.00 1.00 H new ATOM 1404 N SER A 92 8.412 -12.162 -27.555 1.00 1.00 N ATOM 1405 CA SER A 92 8.916 -12.517 -26.226 1.00 1.00 C ATOM 1406 C SER A 92 9.391 -13.973 -26.190 1.00 1.00 C ATOM 1407 O SER A 92 8.654 -14.867 -25.776 1.00 1.00 O ATOM 1408 CB SER A 92 7.805 -12.296 -25.180 1.00 1.00 C ATOM 1409 OG SER A 92 6.626 -12.969 -25.601 1.00 1.00 O ATOM 0 H SER A 92 7.449 -11.827 -27.564 1.00 1.00 H new ATOM 0 HA SER A 92 9.769 -11.879 -25.994 1.00 1.00 H new ATOM 0 HB2 SER A 92 8.125 -12.671 -24.208 1.00 1.00 H new ATOM 0 HB3 SER A 92 7.607 -11.231 -25.061 1.00 1.00 H new ATOM 0 HG SER A 92 6.678 -13.913 -25.343 1.00 1.00 H new ATOM 1415 N CYS A 93 10.629 -14.189 -26.618 1.00 1.00 N ATOM 1416 CA CYS A 93 11.220 -15.522 -26.638 1.00 1.00 C ATOM 1417 C CYS A 93 11.331 -16.083 -25.220 1.00 1.00 C ATOM 1418 O CYS A 93 12.003 -15.502 -24.369 1.00 1.00 O ATOM 1419 CB CYS A 93 12.618 -15.437 -27.261 1.00 1.00 C ATOM 1420 SG CYS A 93 12.477 -14.805 -28.951 1.00 1.00 S ATOM 0 H CYS A 93 11.247 -13.452 -26.958 1.00 1.00 H new ATOM 0 HA CYS A 93 10.584 -16.184 -27.225 1.00 1.00 H new ATOM 0 HB2 CYS A 93 13.255 -14.782 -26.667 1.00 1.00 H new ATOM 0 HB3 CYS A 93 13.088 -16.420 -27.265 1.00 1.00 H new ATOM 0 HG CYS A 93 11.706 -13.758 -28.960 1.00 1.00 H new ATOM 1426 N GLY A 94 10.674 -17.214 -24.972 1.00 1.00 N ATOM 1427 CA GLY A 94 10.714 -17.840 -23.652 1.00 1.00 C ATOM 1428 C GLY A 94 10.066 -16.944 -22.602 1.00 1.00 C ATOM 1429 O GLY A 94 10.451 -16.970 -21.433 1.00 1.00 O ATOM 0 H GLY A 94 10.112 -17.713 -25.662 1.00 1.00 H new ATOM 0 HA2 GLY A 94 10.198 -18.799 -23.685 1.00 1.00 H new ATOM 0 HA3 GLY A 94 11.748 -18.044 -23.373 1.00 1.00 H new ATOM 1433 N TYR A 95 9.065 -16.166 -23.025 1.00 1.00 N ATOM 1434 CA TYR A 95 8.338 -15.263 -22.124 1.00 1.00 C ATOM 1435 C TYR A 95 7.012 -14.851 -22.777 1.00 1.00 C ATOM 1436 O TYR A 95 6.886 -14.836 -24.001 1.00 1.00 O ATOM 1437 CB TYR A 95 9.206 -14.011 -21.811 1.00 1.00 C ATOM 1438 CG TYR A 95 10.264 -14.345 -20.754 1.00 1.00 C ATOM 1439 CD1 TYR A 95 9.868 -14.533 -19.418 1.00 1.00 C ATOM 1440 CD2 TYR A 95 11.625 -14.476 -21.099 1.00 1.00 C ATOM 1441 CE1 TYR A 95 10.818 -14.842 -18.441 1.00 1.00 C ATOM 1442 CE2 TYR A 95 12.570 -14.786 -20.115 1.00 1.00 C ATOM 1443 CZ TYR A 95 12.166 -14.968 -18.787 1.00 1.00 C ATOM 1444 OH TYR A 95 13.100 -15.276 -17.820 1.00 1.00 O ATOM 0 H TYR A 95 8.738 -16.143 -23.991 1.00 1.00 H new ATOM 0 HA TYR A 95 8.126 -15.776 -21.186 1.00 1.00 H new ATOM 0 HB2 TYR A 95 9.691 -13.660 -22.722 1.00 1.00 H new ATOM 0 HB3 TYR A 95 8.571 -13.200 -21.455 1.00 1.00 H new ATOM 0 HD1 TYR A 95 8.827 -14.438 -19.146 1.00 1.00 H new ATOM 0 HD2 TYR A 95 11.938 -14.337 -22.123 1.00 1.00 H new ATOM 0 HE1 TYR A 95 10.510 -14.984 -17.416 1.00 1.00 H new ATOM 0 HE2 TYR A 95 13.612 -14.885 -20.380 1.00 1.00 H new ATOM 0 HH TYR A 95 13.989 -15.327 -18.229 1.00 1.00 H new ATOM 1454 N VAL A 96 6.030 -14.527 -21.934 1.00 1.00 N ATOM 1455 CA VAL A 96 4.691 -14.116 -22.379 1.00 1.00 C ATOM 1456 C VAL A 96 4.103 -13.128 -21.370 1.00 1.00 C ATOM 1457 O VAL A 96 4.251 -13.317 -20.161 1.00 1.00 O ATOM 1458 CB VAL A 96 3.787 -15.364 -22.519 1.00 1.00 C ATOM 1459 CG1 VAL A 96 3.639 -16.086 -21.165 1.00 1.00 C ATOM 1460 CG2 VAL A 96 2.392 -14.961 -23.051 1.00 1.00 C ATOM 0 H VAL A 96 6.138 -14.541 -20.920 1.00 1.00 H new ATOM 0 HA VAL A 96 4.755 -13.626 -23.350 1.00 1.00 H new ATOM 0 HB VAL A 96 4.257 -16.044 -23.229 1.00 1.00 H new ATOM 0 HG11 VAL A 96 2.999 -16.960 -21.287 1.00 1.00 H new ATOM 0 HG12 VAL A 96 4.621 -16.401 -20.811 1.00 1.00 H new ATOM 0 HG13 VAL A 96 3.192 -15.408 -20.438 1.00 1.00 H new ATOM 0 HG21 VAL A 96 1.768 -15.850 -23.144 1.00 1.00 H new ATOM 0 HG22 VAL A 96 1.926 -14.261 -22.357 1.00 1.00 H new ATOM 0 HG23 VAL A 96 2.498 -14.488 -24.027 1.00 1.00 H new ATOM 1470 N TYR A 97 3.415 -12.089 -21.868 1.00 1.00 N ATOM 1471 CA TYR A 97 2.774 -11.075 -21.007 1.00 1.00 C ATOM 1472 C TYR A 97 1.272 -11.079 -21.271 1.00 1.00 C ATOM 1473 O TYR A 97 0.849 -11.129 -22.426 1.00 1.00 O ATOM 1474 CB TYR A 97 3.354 -9.675 -21.323 1.00 1.00 C ATOM 1475 CG TYR A 97 4.877 -9.759 -21.336 1.00 1.00 C ATOM 1476 CD1 TYR A 97 5.568 -10.094 -20.158 1.00 1.00 C ATOM 1477 CD2 TYR A 97 5.603 -9.518 -22.520 1.00 1.00 C ATOM 1478 CE1 TYR A 97 6.963 -10.185 -20.167 1.00 1.00 C ATOM 1479 CE2 TYR A 97 6.993 -9.611 -22.523 1.00 1.00 C ATOM 1480 CZ TYR A 97 7.676 -9.946 -21.347 1.00 1.00 C ATOM 1481 OH TYR A 97 9.052 -10.040 -21.352 1.00 1.00 O ATOM 0 H TYR A 97 3.286 -11.926 -22.867 1.00 1.00 H new ATOM 0 HA TYR A 97 2.966 -11.309 -19.960 1.00 1.00 H new ATOM 0 HB2 TYR A 97 2.988 -9.325 -22.288 1.00 1.00 H new ATOM 0 HB3 TYR A 97 3.023 -8.953 -20.576 1.00 1.00 H new ATOM 0 HD1 TYR A 97 5.021 -10.281 -19.246 1.00 1.00 H new ATOM 0 HD2 TYR A 97 5.079 -9.260 -23.429 1.00 1.00 H new ATOM 0 HE1 TYR A 97 7.492 -10.440 -19.261 1.00 1.00 H new ATOM 0 HE2 TYR A 97 7.544 -9.425 -23.433 1.00 1.00 H new ATOM 0 HH TYR A 97 9.390 -9.845 -22.251 1.00 1.00 H new ATOM 1491 N ILE A 98 0.466 -11.012 -20.204 1.00 1.00 N ATOM 1492 CA ILE A 98 -1.005 -10.987 -20.329 1.00 1.00 C ATOM 1493 C ILE A 98 -1.590 -9.959 -19.379 1.00 1.00 C ATOM 1494 O ILE A 98 -0.946 -9.552 -18.412 1.00 1.00 O ATOM 1495 CB ILE A 98 -1.597 -12.392 -20.047 1.00 1.00 C ATOM 1496 CG1 ILE A 98 -1.178 -12.875 -18.630 1.00 1.00 C ATOM 1497 CG2 ILE A 98 -1.089 -13.384 -21.111 1.00 1.00 C ATOM 1498 CD1 ILE A 98 -1.882 -14.193 -18.275 1.00 1.00 C ATOM 0 H ILE A 98 0.804 -10.974 -19.242 1.00 1.00 H new ATOM 0 HA ILE A 98 -1.267 -10.706 -21.349 1.00 1.00 H new ATOM 0 HB ILE A 98 -2.685 -12.338 -20.090 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -0.097 -13.013 -18.592 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -1.428 -12.113 -17.892 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -1.504 -14.373 -20.914 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -1.402 -13.049 -22.100 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -0.001 -13.433 -21.072 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -1.575 -14.513 -17.279 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -2.962 -14.045 -18.291 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -1.610 -14.958 -19.002 1.00 1.00 H new ATOM 1510 N ALA A 99 -2.825 -9.551 -19.654 1.00 1.00 N ATOM 1511 CA ALA A 99 -3.518 -8.574 -18.818 1.00 1.00 C ATOM 1512 C ALA A 99 -5.025 -8.830 -18.850 1.00 1.00 C ATOM 1513 O ALA A 99 -5.665 -8.782 -19.900 1.00 1.00 O ATOM 1514 CB ALA A 99 -3.212 -7.155 -19.305 1.00 1.00 C ATOM 0 H ALA A 99 -3.368 -9.882 -20.451 1.00 1.00 H new ATOM 0 HA ALA A 99 -3.167 -8.676 -17.791 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.733 -6.434 -18.675 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.138 -6.975 -19.250 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.546 -7.044 -20.337 1.00 1.00 H new ATOM 1520 N VAL A 100 -5.572 -9.101 -17.655 1.00 1.00 N ATOM 1521 CA VAL A 100 -6.997 -9.365 -17.468 1.00 1.00 C ATOM 1522 C VAL A 100 -7.692 -8.061 -17.111 1.00 1.00 C ATOM 1523 O VAL A 100 -7.244 -7.343 -16.214 1.00 1.00 O ATOM 1524 CB VAL A 100 -7.195 -10.390 -16.325 1.00 1.00 C ATOM 1525 CG1 VAL A 100 -8.694 -10.738 -16.163 1.00 1.00 C ATOM 1526 CG2 VAL A 100 -6.406 -11.667 -16.653 1.00 1.00 C ATOM 0 H VAL A 100 -5.031 -9.142 -16.791 1.00 1.00 H new ATOM 0 HA VAL A 100 -7.420 -9.774 -18.386 1.00 1.00 H new ATOM 0 HB VAL A 100 -6.835 -9.956 -15.392 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -8.815 -11.460 -15.355 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -9.254 -9.833 -15.928 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -9.070 -11.167 -17.092 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -6.541 -12.394 -15.852 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -6.769 -12.088 -17.590 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -5.347 -11.426 -16.750 1.00 1.00 H new ATOM 1536 N TYR A 101 -8.794 -7.765 -17.807 1.00 1.00 N ATOM 1537 CA TYR A 101 -9.577 -6.544 -17.563 1.00 1.00 C ATOM 1538 C TYR A 101 -11.089 -6.877 -17.603 1.00 1.00 C ATOM 1539 O TYR A 101 -11.580 -7.271 -18.662 1.00 1.00 O ATOM 1540 CB TYR A 101 -9.257 -5.484 -18.640 1.00 1.00 C ATOM 1541 CG TYR A 101 -10.006 -4.192 -18.305 1.00 1.00 C ATOM 1542 CD1 TYR A 101 -9.488 -3.318 -17.336 1.00 1.00 C ATOM 1543 CD2 TYR A 101 -11.226 -3.885 -18.936 1.00 1.00 C ATOM 1544 CE1 TYR A 101 -10.180 -2.149 -17.005 1.00 1.00 C ATOM 1545 CE2 TYR A 101 -11.913 -2.713 -18.599 1.00 1.00 C ATOM 1546 CZ TYR A 101 -11.390 -1.846 -17.635 1.00 1.00 C ATOM 1547 OH TYR A 101 -12.067 -0.690 -17.304 1.00 1.00 O ATOM 0 H TYR A 101 -9.168 -8.357 -18.549 1.00 1.00 H new ATOM 0 HA TYR A 101 -9.316 -6.148 -16.582 1.00 1.00 H new ATOM 0 HB2 TYR A 101 -8.184 -5.298 -18.678 1.00 1.00 H new ATOM 0 HB3 TYR A 101 -9.553 -5.846 -19.625 1.00 1.00 H new ATOM 0 HD1 TYR A 101 -8.554 -3.549 -16.846 1.00 1.00 H new ATOM 0 HD2 TYR A 101 -11.632 -4.554 -19.680 1.00 1.00 H new ATOM 0 HE1 TYR A 101 -9.778 -1.478 -16.260 1.00 1.00 H new ATOM 0 HE2 TYR A 101 -12.849 -2.478 -19.084 1.00 1.00 H new ATOM 0 HH TYR A 101 -12.889 -0.629 -17.834 1.00 1.00 H new ATOM 1557 N PRO A 102 -11.853 -6.738 -16.513 1.00 1.00 N ATOM 1558 CA PRO A 102 -13.319 -7.056 -16.541 1.00 1.00 C ATOM 1559 C PRO A 102 -14.094 -5.979 -17.300 1.00 1.00 C ATOM 1560 O PRO A 102 -13.744 -4.799 -17.244 1.00 1.00 O ATOM 1561 CB PRO A 102 -13.702 -7.129 -15.040 1.00 1.00 C ATOM 1562 CG PRO A 102 -12.772 -6.156 -14.376 1.00 1.00 C ATOM 1563 CD PRO A 102 -11.441 -6.266 -15.160 1.00 1.00 C ATOM 0 HA PRO A 102 -13.557 -7.983 -17.063 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -14.745 -6.855 -14.881 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -13.573 -8.137 -14.644 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -13.170 -5.142 -14.416 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -12.631 -6.402 -13.324 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -10.929 -5.305 -15.212 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -10.755 -6.968 -14.685 1.00 1.00 H new ATOM 1571 N THR A 103 -15.160 -6.394 -18.001 1.00 1.00 N ATOM 1572 CA THR A 103 -16.007 -5.465 -18.771 1.00 1.00 C ATOM 1573 C THR A 103 -17.253 -5.126 -17.963 1.00 1.00 C ATOM 1574 O THR A 103 -17.734 -5.948 -17.184 1.00 1.00 O ATOM 1575 CB THR A 103 -16.425 -6.107 -20.110 1.00 1.00 C ATOM 1576 OG1 THR A 103 -17.444 -5.317 -20.707 1.00 1.00 O ATOM 1577 CG2 THR A 103 -16.958 -7.533 -19.890 1.00 1.00 C ATOM 0 H THR A 103 -15.458 -7.368 -18.052 1.00 1.00 H new ATOM 0 HA THR A 103 -15.440 -4.557 -18.975 1.00 1.00 H new ATOM 0 HB THR A 103 -15.552 -6.157 -20.761 1.00 1.00 H new ATOM 0 HG1 THR A 103 -17.713 -5.719 -21.559 1.00 1.00 H new ATOM 0 HG21 THR A 103 -17.247 -7.965 -20.848 1.00 1.00 H new ATOM 0 HG22 THR A 103 -16.180 -8.146 -19.435 1.00 1.00 H new ATOM 0 HG23 THR A 103 -17.826 -7.500 -19.231 1.00 1.00 H new ATOM 1585 N GLN A 104 -17.772 -3.913 -18.149 1.00 1.00 N ATOM 1586 CA GLN A 104 -18.970 -3.467 -17.429 1.00 1.00 C ATOM 1587 C GLN A 104 -20.227 -4.079 -18.062 1.00 1.00 C ATOM 1588 O GLN A 104 -20.552 -3.787 -19.212 1.00 1.00 O ATOM 1589 CB GLN A 104 -19.060 -1.931 -17.489 1.00 1.00 C ATOM 1590 CG GLN A 104 -17.801 -1.292 -16.869 1.00 1.00 C ATOM 1591 CD GLN A 104 -17.702 -1.619 -15.378 1.00 1.00 C ATOM 1592 OE1 GLN A 104 -18.644 -1.376 -14.626 1.00 1.00 O ATOM 1593 NE2 GLN A 104 -16.613 -2.167 -14.911 1.00 1.00 N ATOM 0 H GLN A 104 -17.385 -3.221 -18.790 1.00 1.00 H new ATOM 0 HA GLN A 104 -18.903 -3.792 -16.391 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -19.167 -1.607 -18.524 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -19.948 -1.592 -16.955 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -16.912 -1.655 -17.385 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -17.831 -0.211 -17.007 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -15.834 -2.367 -15.538 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -16.542 -2.395 -13.919 1.00 1.00 H new