USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 632 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 37 GLN :FLIP amide:sc= -0.889 F(o=-2.7!,f=-0.86) USER MOD Set 1.2: A 53 SER OG : rot 25:sc= 0.0264 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.78 K(o=-2.6,f=-7.8) USER MOD Set 2.2: A 77 GLN : amide:sc= -1.79 K(o=-2.6,f=-7.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 39:sc= -2.83! USER MOD Single : A 24 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.76) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0.0874 X(o=0.087,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0786 USER MOD Single : A 49 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00368 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.124 K(o=-0.12,f=-2!) USER MOD Single : A 76 MET CE :methyl 153:sc= -8.44! (180deg=-9.72!) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 81 ASN : amide:sc= -2.85! C(o=-2.8!,f=-3.9!) USER MOD Single : A 91 TYR OH : rot -20:sc= -2.49 USER MOD Single : A 92 GLN : amide:sc= -0.0324 K(o=-0.032,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 212 N VAL A 18 -8.059 2.544 -6.746 1.00 0.00 N ATOM 213 CA VAL A 18 -7.713 1.793 -5.551 1.00 0.00 C ATOM 214 C VAL A 18 -8.523 0.495 -5.517 1.00 0.00 C ATOM 215 O VAL A 18 -9.713 0.494 -5.830 1.00 0.00 O ATOM 216 CB VAL A 18 -7.921 2.660 -4.308 1.00 0.00 C ATOM 217 CG1 VAL A 18 -7.824 1.822 -3.032 1.00 0.00 C ATOM 218 CG2 VAL A 18 -6.926 3.823 -4.278 1.00 0.00 C ATOM 0 HA VAL A 18 -6.658 1.518 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.926 3.080 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.976 2.463 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.589 1.045 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.839 1.360 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.095 4.424 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.909 3.431 -4.265 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.064 4.443 -5.164 1.00 0.00 H new ATOM 228 N SER A 19 -7.847 -0.578 -5.134 1.00 0.00 N ATOM 229 CA SER A 19 -8.489 -1.879 -5.055 1.00 0.00 C ATOM 230 C SER A 19 -9.128 -2.064 -3.677 1.00 0.00 C ATOM 231 O SER A 19 -8.696 -1.452 -2.702 1.00 0.00 O ATOM 232 CB SER A 19 -7.490 -3.004 -5.333 1.00 0.00 C ATOM 233 OG SER A 19 -7.852 -3.767 -6.481 1.00 0.00 O ATOM 0 H SER A 19 -6.860 -0.573 -4.875 1.00 0.00 H new ATOM 0 HA SER A 19 -9.266 -1.924 -5.818 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.497 -2.579 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.432 -3.660 -4.465 1.00 0.00 H new ATOM 0 HG SER A 19 -7.189 -4.474 -6.626 1.00 0.00 H new ATOM 239 N PRO A 20 -10.173 -2.933 -3.640 1.00 0.00 N ATOM 240 CA PRO A 20 -10.875 -3.207 -2.398 1.00 0.00 C ATOM 241 C PRO A 20 -10.045 -4.113 -1.487 1.00 0.00 C ATOM 242 O PRO A 20 -10.338 -4.241 -0.299 1.00 0.00 O ATOM 243 CB PRO A 20 -12.192 -3.837 -2.822 1.00 0.00 C ATOM 244 CG PRO A 20 -11.985 -4.318 -4.249 1.00 0.00 C ATOM 245 CD PRO A 20 -10.712 -3.676 -4.776 1.00 0.00 C ATOM 0 HA PRO A 20 -11.050 -2.308 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.458 -4.666 -2.165 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.006 -3.114 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.905 -5.405 -4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.837 -4.044 -4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.006 -4.428 -5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.921 -3.016 -5.618 1.00 0.00 H new ATOM 253 N ASP A 21 -9.025 -4.718 -2.078 1.00 0.00 N ATOM 254 CA ASP A 21 -8.150 -5.608 -1.334 1.00 0.00 C ATOM 255 C ASP A 21 -6.822 -4.899 -1.060 1.00 0.00 C ATOM 256 O ASP A 21 -5.826 -5.544 -0.734 1.00 0.00 O ATOM 257 CB ASP A 21 -7.852 -6.880 -2.130 1.00 0.00 C ATOM 258 CG ASP A 21 -9.062 -7.505 -2.828 1.00 0.00 C ATOM 259 OD1 ASP A 21 -9.415 -6.998 -3.914 1.00 0.00 O ATOM 260 OD2 ASP A 21 -9.606 -8.475 -2.258 1.00 0.00 O ATOM 0 H ASP A 21 -8.785 -4.609 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.652 -5.874 -0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.096 -6.652 -2.881 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.419 -7.619 -1.456 1.00 0.00 H new ATOM 265 N ILE A 22 -6.850 -3.583 -1.202 1.00 0.00 N ATOM 266 CA ILE A 22 -5.661 -2.779 -0.974 1.00 0.00 C ATOM 267 C ILE A 22 -5.070 -3.128 0.393 1.00 0.00 C ATOM 268 O ILE A 22 -3.852 -3.148 0.560 1.00 0.00 O ATOM 269 CB ILE A 22 -5.978 -1.292 -1.147 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.756 -0.430 -0.821 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.200 -0.892 -0.318 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.878 -0.234 -2.058 1.00 0.00 C ATOM 0 H ILE A 22 -7.678 -3.052 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.898 -3.006 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.227 -1.115 -2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.081 0.540 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.175 -0.902 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.404 0.169 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.064 -1.473 -0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.004 -1.087 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.017 0.382 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.535 -1.204 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.455 0.260 -2.839 1.00 0.00 H new ATOM 284 N TYR A 23 -5.961 -3.393 1.337 1.00 0.00 N ATOM 285 CA TYR A 23 -5.543 -3.739 2.685 1.00 0.00 C ATOM 286 C TYR A 23 -4.699 -5.015 2.686 1.00 0.00 C ATOM 287 O TYR A 23 -3.568 -5.014 3.169 1.00 0.00 O ATOM 288 CB TYR A 23 -6.830 -3.992 3.474 1.00 0.00 C ATOM 289 CG TYR A 23 -7.898 -2.913 3.284 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.762 -1.690 3.908 1.00 0.00 C ATOM 291 CD2 TYR A 23 -8.998 -3.163 2.489 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.767 -0.674 3.730 1.00 0.00 C ATOM 293 CE2 TYR A 23 -10.004 -2.148 2.311 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.839 -0.954 2.940 1.00 0.00 C ATOM 295 OH TYR A 23 -10.788 0.005 2.771 1.00 0.00 O ATOM 0 H TYR A 23 -6.971 -3.375 1.195 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.938 -2.941 3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.244 -4.955 3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.586 -4.065 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.901 -1.494 4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.104 -4.120 2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.672 0.288 4.212 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.870 -2.331 1.692 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.357 0.882 2.698 1.00 0.00 H new ATOM 305 N GLN A 24 -5.282 -6.073 2.141 1.00 0.00 N ATOM 306 CA GLN A 24 -4.598 -7.352 2.074 1.00 0.00 C ATOM 307 C GLN A 24 -3.294 -7.216 1.285 1.00 0.00 C ATOM 308 O GLN A 24 -2.304 -7.877 1.596 1.00 0.00 O ATOM 309 CB GLN A 24 -5.500 -8.425 1.460 1.00 0.00 C ATOM 310 CG GLN A 24 -4.922 -9.823 1.687 1.00 0.00 C ATOM 311 CD GLN A 24 -5.151 -10.284 3.127 1.00 0.00 C ATOM 312 OE1 GLN A 24 -4.423 -9.934 4.042 1.00 0.00 O ATOM 313 NE2 GLN A 24 -6.201 -11.088 3.278 1.00 0.00 N ATOM 0 H GLN A 24 -6.221 -6.070 1.742 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.355 -7.665 3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.495 -8.363 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.612 -8.243 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.386 -10.528 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.854 -9.819 1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.769 -11.342 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.437 -11.450 4.202 1.00 0.00 H new ATOM 322 N GLN A 25 -3.335 -6.354 0.280 1.00 0.00 N ATOM 323 CA GLN A 25 -2.169 -6.123 -0.556 1.00 0.00 C ATOM 324 C GLN A 25 -0.996 -5.630 0.294 1.00 0.00 C ATOM 325 O GLN A 25 0.118 -6.137 0.174 1.00 0.00 O ATOM 326 CB GLN A 25 -2.487 -5.132 -1.678 1.00 0.00 C ATOM 327 CG GLN A 25 -3.323 -5.795 -2.774 1.00 0.00 C ATOM 328 CD GLN A 25 -3.818 -4.761 -3.788 1.00 0.00 C ATOM 329 OE1 GLN A 25 -3.122 -3.827 -4.150 1.00 0.00 O ATOM 330 NE2 GLN A 25 -5.055 -4.980 -4.223 1.00 0.00 N ATOM 0 H GLN A 25 -4.157 -5.807 0.026 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.885 -7.068 -1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.027 -4.277 -1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.559 -4.750 -2.104 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.727 -6.552 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.175 -6.308 -2.327 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.582 -5.782 -3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.477 -4.346 -4.902 1.00 0.00 H new ATOM 339 N VAL A 26 -1.287 -4.648 1.135 1.00 0.00 N ATOM 340 CA VAL A 26 -0.271 -4.082 2.005 1.00 0.00 C ATOM 341 C VAL A 26 0.350 -5.196 2.850 1.00 0.00 C ATOM 342 O VAL A 26 1.532 -5.505 2.706 1.00 0.00 O ATOM 343 CB VAL A 26 -0.872 -2.956 2.848 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.159 -2.396 3.830 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.440 -1.848 1.959 1.00 0.00 C ATOM 0 H VAL A 26 -2.212 -4.230 1.232 1.00 0.00 H new ATOM 0 HA VAL A 26 0.531 -3.636 1.416 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.694 -3.375 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.294 -1.597 4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.495 -3.190 4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.011 -2.001 3.277 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.861 -1.060 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.644 -1.434 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.220 -2.259 1.319 1.00 0.00 H new ATOM 355 N ARG A 27 -0.476 -5.770 3.713 1.00 0.00 N ATOM 356 CA ARG A 27 -0.023 -6.843 4.582 1.00 0.00 C ATOM 357 C ARG A 27 0.872 -7.811 3.806 1.00 0.00 C ATOM 358 O ARG A 27 2.044 -7.981 4.139 1.00 0.00 O ATOM 359 CB ARG A 27 -1.207 -7.613 5.169 1.00 0.00 C ATOM 360 CG ARG A 27 -2.108 -6.690 5.991 1.00 0.00 C ATOM 361 CD ARG A 27 -2.785 -7.456 7.130 1.00 0.00 C ATOM 362 NE ARG A 27 -1.763 -8.000 8.051 1.00 0.00 N ATOM 363 CZ ARG A 27 -2.020 -8.895 9.015 1.00 0.00 C ATOM 364 NH1 ARG A 27 -3.268 -9.353 9.189 1.00 0.00 N ATOM 365 NH2 ARG A 27 -1.030 -9.333 9.805 1.00 0.00 N ATOM 0 H ARG A 27 -1.456 -5.512 3.829 1.00 0.00 H new ATOM 0 HA ARG A 27 0.543 -6.393 5.398 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.784 -8.068 4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.842 -8.425 5.798 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.518 -5.870 6.400 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.866 -6.246 5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.461 -6.795 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.390 -8.267 6.725 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.802 -7.673 7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.022 -9.020 8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.464 -10.034 9.923 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.080 -8.985 9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.226 -10.014 10.538 1.00 0.00 H new ATOM 379 N ASP A 28 0.286 -8.421 2.786 1.00 0.00 N ATOM 380 CA ASP A 28 1.016 -9.368 1.961 1.00 0.00 C ATOM 381 C ASP A 28 2.324 -8.727 1.492 1.00 0.00 C ATOM 382 O ASP A 28 3.381 -9.355 1.545 1.00 0.00 O ATOM 383 CB ASP A 28 0.209 -9.754 0.720 1.00 0.00 C ATOM 384 CG ASP A 28 0.801 -10.897 -0.107 1.00 0.00 C ATOM 385 OD1 ASP A 28 1.356 -11.824 0.521 1.00 0.00 O ATOM 386 OD2 ASP A 28 0.685 -10.818 -1.349 1.00 0.00 O ATOM 0 H ASP A 28 -0.686 -8.278 2.512 1.00 0.00 H new ATOM 0 HA ASP A 28 1.207 -10.259 2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.797 -10.035 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.111 -8.876 0.081 1.00 0.00 H new ATOM 391 N GLU A 29 2.211 -7.486 1.044 1.00 0.00 N ATOM 392 CA GLU A 29 3.371 -6.753 0.567 1.00 0.00 C ATOM 393 C GLU A 29 4.454 -6.711 1.648 1.00 0.00 C ATOM 394 O GLU A 29 5.609 -7.046 1.387 1.00 0.00 O ATOM 395 CB GLU A 29 2.984 -5.341 0.124 1.00 0.00 C ATOM 396 CG GLU A 29 4.144 -4.656 -0.602 1.00 0.00 C ATOM 397 CD GLU A 29 4.627 -5.501 -1.783 1.00 0.00 C ATOM 398 OE1 GLU A 29 3.941 -5.461 -2.827 1.00 0.00 O ATOM 399 OE2 GLU A 29 5.670 -6.169 -1.614 1.00 0.00 O ATOM 0 H GLU A 29 1.333 -6.969 1.001 1.00 0.00 H new ATOM 0 HA GLU A 29 3.773 -7.274 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.116 -5.388 -0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.695 -4.750 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.827 -3.675 -0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.967 -4.492 0.093 1.00 0.00 H new ATOM 406 N LEU A 30 4.042 -6.298 2.837 1.00 0.00 N ATOM 407 CA LEU A 30 4.962 -6.208 3.958 1.00 0.00 C ATOM 408 C LEU A 30 5.600 -7.578 4.200 1.00 0.00 C ATOM 409 O LEU A 30 6.814 -7.681 4.366 1.00 0.00 O ATOM 410 CB LEU A 30 4.255 -5.633 5.187 1.00 0.00 C ATOM 411 CG LEU A 30 3.490 -4.326 4.971 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.446 -4.114 6.069 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.451 -3.141 4.856 1.00 0.00 C ATOM 0 H LEU A 30 3.083 -6.022 3.049 1.00 0.00 H new ATOM 0 HA LEU A 30 5.772 -5.514 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.557 -6.381 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.999 -5.471 5.967 1.00 0.00 H new ATOM 0 HG LEU A 30 2.952 -4.397 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.916 -3.178 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.735 -4.940 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.941 -4.072 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.882 -2.224 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.036 -3.056 5.772 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.122 -3.297 4.011 1.00 0.00 H new ATOM 425 N LYS A 31 4.752 -8.596 4.212 1.00 0.00 N ATOM 426 CA LYS A 31 5.217 -9.955 4.431 1.00 0.00 C ATOM 427 C LYS A 31 6.089 -10.387 3.250 1.00 0.00 C ATOM 428 O LYS A 31 6.755 -11.419 3.310 1.00 0.00 O ATOM 429 CB LYS A 31 4.036 -10.889 4.697 1.00 0.00 C ATOM 430 CG LYS A 31 4.379 -12.330 4.313 1.00 0.00 C ATOM 431 CD LYS A 31 3.196 -13.264 4.576 1.00 0.00 C ATOM 432 CE LYS A 31 3.265 -14.503 3.681 1.00 0.00 C ATOM 433 NZ LYS A 31 2.914 -15.718 4.449 1.00 0.00 N ATOM 0 H LYS A 31 3.745 -8.507 4.074 1.00 0.00 H new ATOM 0 HA LYS A 31 5.840 -10.005 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.763 -10.845 5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.168 -10.554 4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.654 -12.374 3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.246 -12.666 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.193 -13.567 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.262 -12.733 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.583 -14.389 2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.268 -14.604 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.966 -16.549 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.581 -15.834 5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.948 -15.625 4.823 1.00 0.00 H new ATOM 447 N ARG A 32 6.056 -9.575 2.203 1.00 0.00 N ATOM 448 CA ARG A 32 6.835 -9.861 1.010 1.00 0.00 C ATOM 449 C ARG A 32 8.208 -9.191 1.099 1.00 0.00 C ATOM 450 O ARG A 32 9.235 -9.848 0.935 1.00 0.00 O ATOM 451 CB ARG A 32 6.116 -9.369 -0.248 1.00 0.00 C ATOM 452 CG ARG A 32 6.072 -10.463 -1.317 1.00 0.00 C ATOM 453 CD ARG A 32 5.922 -9.858 -2.714 1.00 0.00 C ATOM 454 NE ARG A 32 4.770 -10.473 -3.411 1.00 0.00 N ATOM 455 CZ ARG A 32 4.277 -10.036 -4.578 1.00 0.00 C ATOM 456 NH1 ARG A 32 4.832 -8.980 -5.186 1.00 0.00 N ATOM 457 NH2 ARG A 32 3.229 -10.657 -5.137 1.00 0.00 N ATOM 0 H ARG A 32 5.502 -8.720 2.156 1.00 0.00 H new ATOM 0 HA ARG A 32 6.958 -10.942 0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.101 -9.062 0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.626 -8.490 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.984 -11.059 -1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.240 -11.138 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.779 -8.780 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.834 -10.019 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 32 4.323 -11.280 -2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.630 -8.508 -4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.457 -8.648 -6.074 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.807 -11.462 -4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.854 -10.325 -6.025 1.00 0.00 H new ATOM 471 N ALA A 33 8.181 -7.892 1.360 1.00 0.00 N ATOM 472 CA ALA A 33 9.411 -7.126 1.473 1.00 0.00 C ATOM 473 C ALA A 33 9.941 -7.230 2.904 1.00 0.00 C ATOM 474 O ALA A 33 11.032 -6.747 3.202 1.00 0.00 O ATOM 475 CB ALA A 33 9.151 -5.679 1.051 1.00 0.00 C ATOM 0 H ALA A 33 7.327 -7.351 1.496 1.00 0.00 H new ATOM 0 HA ALA A 33 10.176 -7.527 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.073 -5.104 1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.804 -5.658 0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.391 -5.242 1.698 1.00 0.00 H new ATOM 481 N SER A 34 9.145 -7.865 3.752 1.00 0.00 N ATOM 482 CA SER A 34 9.521 -8.038 5.145 1.00 0.00 C ATOM 483 C SER A 34 9.916 -6.691 5.752 1.00 0.00 C ATOM 484 O SER A 34 10.914 -6.596 6.465 1.00 0.00 O ATOM 485 CB SER A 34 10.669 -9.040 5.285 1.00 0.00 C ATOM 486 OG SER A 34 10.707 -9.631 6.581 1.00 0.00 O ATOM 0 H SER A 34 8.241 -8.266 3.501 1.00 0.00 H new ATOM 0 HA SER A 34 8.661 -8.434 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.561 -9.822 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.616 -8.537 5.088 1.00 0.00 H new ATOM 0 HG SER A 34 11.452 -10.265 6.630 1.00 0.00 H new ATOM 492 N VAL A 35 9.113 -5.682 5.447 1.00 0.00 N ATOM 493 CA VAL A 35 9.367 -4.344 5.954 1.00 0.00 C ATOM 494 C VAL A 35 8.386 -4.039 7.088 1.00 0.00 C ATOM 495 O VAL A 35 7.433 -4.785 7.306 1.00 0.00 O ATOM 496 CB VAL A 35 9.294 -3.329 4.811 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.263 -4.034 3.453 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.088 -2.403 4.976 1.00 0.00 C ATOM 0 H VAL A 35 8.286 -5.764 4.855 1.00 0.00 H new ATOM 0 HA VAL A 35 10.373 -4.276 6.367 1.00 0.00 H new ATOM 0 HB VAL A 35 10.194 -2.716 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.211 -3.290 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.167 -4.631 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.389 -4.683 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.060 -1.692 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.172 -2.995 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.171 -1.862 5.919 1.00 0.00 H new ATOM 508 N SER A 36 8.654 -2.940 7.779 1.00 0.00 N ATOM 509 CA SER A 36 7.807 -2.527 8.885 1.00 0.00 C ATOM 510 C SER A 36 6.665 -1.648 8.370 1.00 0.00 C ATOM 511 O SER A 36 6.871 -0.805 7.498 1.00 0.00 O ATOM 512 CB SER A 36 8.614 -1.779 9.948 1.00 0.00 C ATOM 513 OG SER A 36 8.941 -2.614 11.055 1.00 0.00 O ATOM 0 H SER A 36 9.445 -2.324 7.594 1.00 0.00 H new ATOM 0 HA SER A 36 7.389 -3.421 9.347 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.530 -1.393 9.502 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.043 -0.919 10.299 1.00 0.00 H new ATOM 0 HG SER A 36 9.457 -2.101 11.711 1.00 0.00 H new ATOM 519 N GLN A 37 5.486 -1.876 8.930 1.00 0.00 N ATOM 520 CA GLN A 37 4.312 -1.116 8.538 1.00 0.00 C ATOM 521 C GLN A 37 4.675 0.357 8.340 1.00 0.00 C ATOM 522 O GLN A 37 4.115 1.027 7.473 1.00 0.00 O ATOM 523 CB GLN A 37 3.190 -1.270 9.567 1.00 0.00 C ATOM 524 CG GLN A 37 2.400 -2.558 9.328 1.00 0.00 C ATOM 525 CD GLN A 37 1.227 -2.671 10.304 1.00 0.00 C ATOM 526 OE1 GLN A 37 0.112 -2.083 9.880 1.00 0.00 O flip ATOM 527 NE2 GLN A 37 1.328 -3.254 11.371 1.00 0.00 N flip ATOM 0 H GLN A 37 5.319 -2.577 9.652 1.00 0.00 H new ATOM 0 HA GLN A 37 3.948 -1.511 7.590 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.612 -1.279 10.572 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.520 -0.412 9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.028 -2.576 8.304 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.058 -3.419 9.444 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.214 -3.684 11.635 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.526 -3.311 11.999 1.00 0.00 H new ATOM 536 N ALA A 38 5.610 0.818 9.157 1.00 0.00 N ATOM 537 CA ALA A 38 6.055 2.199 9.082 1.00 0.00 C ATOM 538 C ALA A 38 6.877 2.398 7.807 1.00 0.00 C ATOM 539 O ALA A 38 6.510 3.194 6.945 1.00 0.00 O ATOM 540 CB ALA A 38 6.844 2.551 10.345 1.00 0.00 C ATOM 0 H ALA A 38 6.072 0.259 9.875 1.00 0.00 H new ATOM 0 HA ALA A 38 5.201 2.874 9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.178 3.587 10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.207 2.422 11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.710 1.895 10.428 1.00 0.00 H new ATOM 546 N VAL A 39 7.975 1.659 7.728 1.00 0.00 N ATOM 547 CA VAL A 39 8.852 1.744 6.573 1.00 0.00 C ATOM 548 C VAL A 39 8.006 1.836 5.301 1.00 0.00 C ATOM 549 O VAL A 39 8.239 2.699 4.457 1.00 0.00 O ATOM 550 CB VAL A 39 9.820 0.559 6.563 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.450 0.377 5.180 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.896 0.721 7.639 1.00 0.00 C ATOM 0 H VAL A 39 8.277 0.999 8.445 1.00 0.00 H new ATOM 0 HA VAL A 39 9.463 2.645 6.623 1.00 0.00 H new ATOM 0 HB VAL A 39 9.250 -0.341 6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.134 -0.472 5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.667 0.194 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.999 1.279 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.571 -0.135 7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.461 1.635 7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.424 0.778 8.620 1.00 0.00 H new ATOM 562 N PHE A 40 7.041 0.933 5.204 1.00 0.00 N ATOM 563 CA PHE A 40 6.159 0.901 4.050 1.00 0.00 C ATOM 564 C PHE A 40 5.298 2.165 3.982 1.00 0.00 C ATOM 565 O PHE A 40 5.400 2.939 3.033 1.00 0.00 O ATOM 566 CB PHE A 40 5.246 -0.315 4.218 1.00 0.00 C ATOM 567 CG PHE A 40 4.170 -0.439 3.138 1.00 0.00 C ATOM 568 CD1 PHE A 40 3.018 0.277 3.241 1.00 0.00 C ATOM 569 CD2 PHE A 40 4.364 -1.265 2.075 1.00 0.00 C ATOM 570 CE1 PHE A 40 2.019 0.163 2.238 1.00 0.00 C ATOM 571 CE2 PHE A 40 3.365 -1.379 1.073 1.00 0.00 C ATOM 572 CZ PHE A 40 2.213 -0.663 1.175 1.00 0.00 C ATOM 0 H PHE A 40 6.851 0.218 5.906 1.00 0.00 H new ATOM 0 HA PHE A 40 6.747 0.845 3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.856 -1.218 4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.763 -0.262 5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.863 0.932 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.278 -1.834 1.993 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.105 0.732 2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.520 -2.035 0.229 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.453 -0.750 0.413 1.00 0.00 H new ATOM 582 N ALA A 41 4.470 2.333 5.003 1.00 0.00 N ATOM 583 CA ALA A 41 3.592 3.489 5.071 1.00 0.00 C ATOM 584 C ALA A 41 4.396 4.753 4.762 1.00 0.00 C ATOM 585 O ALA A 41 3.841 5.748 4.300 1.00 0.00 O ATOM 586 CB ALA A 41 2.926 3.543 6.447 1.00 0.00 C ATOM 0 H ALA A 41 4.389 1.688 5.789 1.00 0.00 H new ATOM 0 HA ALA A 41 2.799 3.413 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.267 4.410 6.499 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.344 2.635 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.692 3.623 7.219 1.00 0.00 H new ATOM 592 N ARG A 42 5.691 4.673 5.031 1.00 0.00 N ATOM 593 CA ARG A 42 6.577 5.799 4.787 1.00 0.00 C ATOM 594 C ARG A 42 6.934 5.882 3.302 1.00 0.00 C ATOM 595 O ARG A 42 7.056 6.974 2.749 1.00 0.00 O ATOM 596 CB ARG A 42 7.863 5.675 5.608 1.00 0.00 C ATOM 597 CG ARG A 42 8.723 6.933 5.471 1.00 0.00 C ATOM 598 CD ARG A 42 7.912 8.190 5.791 1.00 0.00 C ATOM 599 NE ARG A 42 8.706 9.101 6.646 1.00 0.00 N ATOM 600 CZ ARG A 42 8.788 8.999 7.979 1.00 0.00 C ATOM 601 NH1 ARG A 42 8.125 8.026 8.619 1.00 0.00 N ATOM 602 NH2 ARG A 42 9.533 9.870 8.673 1.00 0.00 N ATOM 0 H ARG A 42 6.148 3.846 5.415 1.00 0.00 H new ATOM 0 HA ARG A 42 6.052 6.706 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.615 5.512 6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.429 4.805 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.579 6.867 6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.118 6.999 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.632 8.697 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.987 7.916 6.298 1.00 0.00 H new ATOM 0 HE ARG A 42 9.223 9.854 6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.558 7.363 8.091 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.188 7.949 9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.038 10.611 8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.595 9.792 9.688 1.00 0.00 H new ATOM 616 N VAL A 43 7.091 4.713 2.698 1.00 0.00 N ATOM 617 CA VAL A 43 7.431 4.640 1.287 1.00 0.00 C ATOM 618 C VAL A 43 6.166 4.354 0.475 1.00 0.00 C ATOM 619 O VAL A 43 6.237 4.115 -0.729 1.00 0.00 O ATOM 620 CB VAL A 43 8.530 3.599 1.067 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.734 3.874 1.969 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.994 2.182 1.284 1.00 0.00 C ATOM 0 H VAL A 43 6.989 3.809 3.160 1.00 0.00 H new ATOM 0 HA VAL A 43 7.830 5.593 0.941 1.00 0.00 H new ATOM 0 HB VAL A 43 8.863 3.676 0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.501 3.119 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.138 4.861 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.422 3.838 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.795 1.461 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.621 2.086 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.183 1.988 0.582 1.00 0.00 H new ATOM 632 N ALA A 44 5.037 4.389 1.168 1.00 0.00 N ATOM 633 CA ALA A 44 3.757 4.136 0.527 1.00 0.00 C ATOM 634 C ALA A 44 3.036 5.466 0.297 1.00 0.00 C ATOM 635 O ALA A 44 2.684 5.797 -0.834 1.00 0.00 O ATOM 636 CB ALA A 44 2.938 3.169 1.384 1.00 0.00 C ATOM 0 H ALA A 44 4.982 4.589 2.167 1.00 0.00 H new ATOM 0 HA ALA A 44 3.901 3.666 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.978 2.980 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.481 2.230 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.770 3.607 2.368 1.00 0.00 H new ATOM 642 N PHE A 45 2.838 6.191 1.388 1.00 0.00 N ATOM 643 CA PHE A 45 2.165 7.477 1.319 1.00 0.00 C ATOM 644 C PHE A 45 2.750 8.457 2.338 1.00 0.00 C ATOM 645 O PHE A 45 2.096 9.427 2.718 1.00 0.00 O ATOM 646 CB PHE A 45 0.693 7.230 1.654 1.00 0.00 C ATOM 647 CG PHE A 45 0.466 6.118 2.680 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.695 4.821 2.340 1.00 0.00 C ATOM 649 CD2 PHE A 45 0.036 6.426 3.933 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.485 3.789 3.292 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.175 5.394 4.886 1.00 0.00 C ATOM 652 CZ PHE A 45 0.055 4.097 4.545 1.00 0.00 C ATOM 0 H PHE A 45 3.132 5.913 2.324 1.00 0.00 H new ATOM 0 HA PHE A 45 2.289 7.909 0.326 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.257 8.154 2.033 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.160 6.979 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.037 4.576 1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.145 7.456 4.204 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.667 2.759 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.518 5.639 5.881 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.104 3.312 5.269 1.00 0.00 H new ATOM 662 N ASN A 46 3.976 8.170 2.751 1.00 0.00 N ATOM 663 CA ASN A 46 4.656 9.015 3.718 1.00 0.00 C ATOM 664 C ASN A 46 3.805 9.120 4.985 1.00 0.00 C ATOM 665 O ASN A 46 3.318 10.198 5.322 1.00 0.00 O ATOM 666 CB ASN A 46 4.862 10.427 3.168 1.00 0.00 C ATOM 667 CG ASN A 46 6.056 11.108 3.839 1.00 0.00 C ATOM 668 OD1 ASN A 46 7.195 10.979 3.419 1.00 0.00 O ATOM 669 ND2 ASN A 46 5.735 11.840 4.902 1.00 0.00 N ATOM 0 H ASN A 46 4.516 7.365 2.434 1.00 0.00 H new ATOM 0 HA ASN A 46 5.626 8.567 3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.023 10.382 2.091 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.962 11.020 3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.462 12.335 5.418 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.762 11.906 5.201 1.00 0.00 H new ATOM 676 N ARG A 47 3.651 7.986 5.652 1.00 0.00 N ATOM 677 CA ARG A 47 2.866 7.937 6.874 1.00 0.00 C ATOM 678 C ARG A 47 3.605 7.135 7.947 1.00 0.00 C ATOM 679 O ARG A 47 4.754 6.742 7.753 1.00 0.00 O ATOM 680 CB ARG A 47 1.497 7.302 6.625 1.00 0.00 C ATOM 681 CG ARG A 47 0.415 8.374 6.474 1.00 0.00 C ATOM 682 CD ARG A 47 0.174 9.100 7.798 1.00 0.00 C ATOM 683 NE ARG A 47 -0.959 10.043 7.660 1.00 0.00 N ATOM 684 CZ ARG A 47 -1.272 10.979 8.566 1.00 0.00 C ATOM 685 NH1 ARG A 47 -0.541 11.103 9.682 1.00 0.00 N ATOM 686 NH2 ARG A 47 -2.318 11.790 8.357 1.00 0.00 N ATOM 0 H ARG A 47 4.056 7.094 5.369 1.00 0.00 H new ATOM 0 HA ARG A 47 2.721 8.962 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.535 6.689 5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.244 6.639 7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.714 9.092 5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.513 7.914 6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.038 8.377 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.073 9.640 8.095 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.538 9.976 6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.254 10.485 9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.780 11.816 10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.876 11.695 7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.557 12.503 9.047 1.00 0.00 H new ATOM 700 N THR A 48 2.914 6.915 9.057 1.00 0.00 N ATOM 701 CA THR A 48 3.490 6.166 10.161 1.00 0.00 C ATOM 702 C THR A 48 2.911 4.751 10.205 1.00 0.00 C ATOM 703 O THR A 48 2.437 4.238 9.193 1.00 0.00 O ATOM 704 CB THR A 48 3.252 6.961 11.446 1.00 0.00 C ATOM 705 OG1 THR A 48 1.890 6.698 11.770 1.00 0.00 O ATOM 706 CG2 THR A 48 3.295 8.473 11.216 1.00 0.00 C ATOM 0 H THR A 48 1.961 7.242 9.215 1.00 0.00 H new ATOM 0 HA THR A 48 4.565 6.039 10.035 1.00 0.00 H new ATOM 0 HB THR A 48 4.002 6.685 12.187 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.652 7.174 12.593 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.120 8.990 12.160 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.273 8.754 10.824 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.523 8.754 10.500 1.00 0.00 H new ATOM 714 N GLN A 49 2.968 4.160 11.390 1.00 0.00 N ATOM 715 CA GLN A 49 2.455 2.814 11.579 1.00 0.00 C ATOM 716 C GLN A 49 1.065 2.861 12.217 1.00 0.00 C ATOM 717 O GLN A 49 0.110 2.306 11.675 1.00 0.00 O ATOM 718 CB GLN A 49 3.417 1.974 12.423 1.00 0.00 C ATOM 719 CG GLN A 49 2.810 0.608 12.750 1.00 0.00 C ATOM 720 CD GLN A 49 2.846 0.339 14.255 1.00 0.00 C ATOM 721 OE1 GLN A 49 2.842 1.243 15.074 1.00 0.00 O ATOM 722 NE2 GLN A 49 2.882 -0.952 14.573 1.00 0.00 N ATOM 0 H GLN A 49 3.361 4.589 12.228 1.00 0.00 H new ATOM 0 HA GLN A 49 2.370 2.338 10.602 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.356 1.840 11.885 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.652 2.502 13.347 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.780 0.569 12.394 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.359 -0.173 12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.883 -1.659 13.837 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.908 -1.235 15.552 1.00 0.00 H new ATOM 731 N GLY A 50 0.995 3.528 13.359 1.00 0.00 N ATOM 732 CA GLY A 50 -0.262 3.655 14.077 1.00 0.00 C ATOM 733 C GLY A 50 -1.407 3.998 13.121 1.00 0.00 C ATOM 734 O GLY A 50 -2.538 3.558 13.318 1.00 0.00 O ATOM 0 H GLY A 50 1.789 3.987 13.806 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.484 2.723 14.597 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.174 4.431 14.838 1.00 0.00 H new ATOM 738 N LEU A 51 -1.072 4.781 12.105 1.00 0.00 N ATOM 739 CA LEU A 51 -2.057 5.188 11.118 1.00 0.00 C ATOM 740 C LEU A 51 -2.357 4.012 10.187 1.00 0.00 C ATOM 741 O LEU A 51 -3.478 3.506 10.161 1.00 0.00 O ATOM 742 CB LEU A 51 -1.593 6.449 10.386 1.00 0.00 C ATOM 743 CG LEU A 51 -2.375 6.818 9.124 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.849 6.051 7.909 1.00 0.00 C ATOM 745 CD2 LEU A 51 -3.877 6.609 9.329 1.00 0.00 C ATOM 0 H LEU A 51 -0.132 5.144 11.945 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.995 5.457 11.605 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.645 7.288 11.080 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.544 6.323 10.116 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.222 7.879 8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.422 6.332 7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.798 6.294 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.952 4.980 8.083 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.410 6.879 8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.070 5.563 9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.223 7.237 10.150 1.00 0.00 H new ATOM 757 N LEU A 52 -1.335 3.610 9.446 1.00 0.00 N ATOM 758 CA LEU A 52 -1.475 2.503 8.516 1.00 0.00 C ATOM 759 C LEU A 52 -2.261 1.375 9.186 1.00 0.00 C ATOM 760 O LEU A 52 -3.205 0.841 8.606 1.00 0.00 O ATOM 761 CB LEU A 52 -0.105 2.069 7.990 1.00 0.00 C ATOM 762 CG LEU A 52 -0.059 0.718 7.272 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.852 0.765 5.965 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.385 0.263 7.051 1.00 0.00 C ATOM 0 H LEU A 52 -0.406 4.031 9.471 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.045 2.812 7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.258 2.835 7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.590 2.036 8.829 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.536 -0.025 7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.803 -0.207 5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.892 1.012 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.427 1.524 5.309 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.389 -0.699 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.910 1.000 6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.887 0.164 8.014 1.00 0.00 H new ATOM 776 N SER A 53 -1.844 1.046 10.400 1.00 0.00 N ATOM 777 CA SER A 53 -2.497 -0.009 11.156 1.00 0.00 C ATOM 778 C SER A 53 -4.011 0.212 11.160 1.00 0.00 C ATOM 779 O SER A 53 -4.776 -0.707 10.871 1.00 0.00 O ATOM 780 CB SER A 53 -1.966 -0.069 12.590 1.00 0.00 C ATOM 781 OG SER A 53 -1.111 -1.190 12.796 1.00 0.00 O ATOM 0 H SER A 53 -1.062 1.492 10.879 1.00 0.00 H new ATOM 0 HA SER A 53 -2.276 -0.962 10.675 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.421 0.848 12.814 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.804 -0.120 13.285 1.00 0.00 H new ATOM 0 HG SER A 53 -0.722 -1.466 11.940 1.00 0.00 H new ATOM 787 N GLU A 54 -4.399 1.435 11.490 1.00 0.00 N ATOM 788 CA GLU A 54 -5.807 1.787 11.535 1.00 0.00 C ATOM 789 C GLU A 54 -6.440 1.623 10.151 1.00 0.00 C ATOM 790 O GLU A 54 -7.638 1.367 10.039 1.00 0.00 O ATOM 791 CB GLU A 54 -6.000 3.211 12.060 1.00 0.00 C ATOM 792 CG GLU A 54 -6.255 4.190 10.912 1.00 0.00 C ATOM 793 CD GLU A 54 -5.954 5.628 11.340 1.00 0.00 C ATOM 794 OE1 GLU A 54 -5.073 5.788 12.212 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.614 6.534 10.787 1.00 0.00 O ATOM 0 H GLU A 54 -3.762 2.195 11.729 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.309 1.109 12.226 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.839 3.235 12.756 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.115 3.520 12.616 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.633 3.924 10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.293 4.113 10.588 1.00 0.00 H new ATOM 802 N ILE A 55 -5.607 1.779 9.133 1.00 0.00 N ATOM 803 CA ILE A 55 -6.070 1.651 7.761 1.00 0.00 C ATOM 804 C ILE A 55 -6.249 0.170 7.424 1.00 0.00 C ATOM 805 O ILE A 55 -6.961 -0.174 6.482 1.00 0.00 O ATOM 806 CB ILE A 55 -5.129 2.389 6.807 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.051 3.877 7.156 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.537 2.163 5.350 1.00 0.00 C ATOM 809 CD1 ILE A 55 -3.994 4.585 6.306 1.00 0.00 C ATOM 0 H ILE A 55 -4.614 1.993 9.230 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.044 2.126 7.642 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.127 1.977 6.928 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.023 4.343 6.996 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.811 3.994 8.213 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.852 2.699 4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.499 1.098 5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.551 2.532 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.959 5.641 6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.019 4.132 6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.250 4.487 5.251 1.00 0.00 H new ATOM 821 N LEU A 56 -5.591 -0.668 8.212 1.00 0.00 N ATOM 822 CA LEU A 56 -5.669 -2.105 8.009 1.00 0.00 C ATOM 823 C LEU A 56 -6.632 -2.709 9.032 1.00 0.00 C ATOM 824 O LEU A 56 -7.084 -3.841 8.872 1.00 0.00 O ATOM 825 CB LEU A 56 -4.271 -2.726 8.038 1.00 0.00 C ATOM 826 CG LEU A 56 -3.257 -2.142 7.052 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.826 -2.484 7.472 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.559 -2.594 5.622 1.00 0.00 C ATOM 0 H LEU A 56 -5.001 -0.379 8.992 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.072 -2.329 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.870 -2.621 9.046 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.365 -3.794 7.842 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.348 -1.056 7.071 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.125 -2.058 6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.629 -2.072 8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.704 -3.567 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.823 -2.165 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.513 -3.682 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.556 -2.258 5.337 1.00 0.00 H new ATOM 840 N ARG A 57 -6.918 -1.926 10.063 1.00 0.00 N ATOM 841 CA ARG A 57 -7.819 -2.370 11.112 1.00 0.00 C ATOM 842 C ARG A 57 -9.272 -2.111 10.709 1.00 0.00 C ATOM 843 O ARG A 57 -10.067 -3.044 10.608 1.00 0.00 O ATOM 844 CB ARG A 57 -7.526 -1.649 12.430 1.00 0.00 C ATOM 845 CG ARG A 57 -6.926 -2.610 13.459 1.00 0.00 C ATOM 846 CD ARG A 57 -5.501 -3.008 13.071 1.00 0.00 C ATOM 847 NE ARG A 57 -5.301 -4.457 13.297 1.00 0.00 N ATOM 848 CZ ARG A 57 -4.140 -5.095 13.096 1.00 0.00 C ATOM 849 NH1 ARG A 57 -3.068 -4.416 12.665 1.00 0.00 N ATOM 850 NH2 ARG A 57 -4.050 -6.412 13.327 1.00 0.00 N ATOM 0 H ARG A 57 -6.541 -0.987 10.193 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.663 -3.440 11.253 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.836 -0.824 12.252 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.445 -1.216 12.824 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.921 -2.139 14.442 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.548 -3.502 13.536 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.320 -2.766 12.024 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.782 -2.437 13.659 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.097 -5.004 13.626 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.136 -3.413 12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.184 -4.902 12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.865 -6.929 13.656 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -3.166 -6.897 13.174 1.00 0.00 H new ATOM 864 N LYS A 58 -9.574 -0.840 10.490 1.00 0.00 N ATOM 865 CA LYS A 58 -10.918 -0.447 10.100 1.00 0.00 C ATOM 866 C LYS A 58 -11.115 -0.730 8.609 1.00 0.00 C ATOM 867 O LYS A 58 -12.241 -0.923 8.154 1.00 0.00 O ATOM 868 CB LYS A 58 -11.185 1.009 10.490 1.00 0.00 C ATOM 869 CG LYS A 58 -10.990 1.218 11.993 1.00 0.00 C ATOM 870 CD LYS A 58 -10.309 2.558 12.277 1.00 0.00 C ATOM 871 CE LYS A 58 -9.633 2.550 13.649 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.452 3.290 14.635 1.00 0.00 N ATOM 0 H LYS A 58 -8.912 -0.069 10.575 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.659 -1.038 10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.514 1.666 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.202 1.284 10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.956 1.183 12.497 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.388 0.406 12.401 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.569 2.765 11.504 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.046 3.360 12.235 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.490 1.523 13.984 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.644 3.002 13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.979 3.275 15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.567 4.275 14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.387 2.841 14.717 1.00 0.00 H new ATOM 886 N GLU A 59 -10.002 -0.746 7.891 1.00 0.00 N ATOM 887 CA GLU A 59 -10.038 -1.002 6.461 1.00 0.00 C ATOM 888 C GLU A 59 -11.082 -0.109 5.788 1.00 0.00 C ATOM 889 O GLU A 59 -11.903 -0.588 5.007 1.00 0.00 O ATOM 890 CB GLU A 59 -10.315 -2.480 6.175 1.00 0.00 C ATOM 891 CG GLU A 59 -9.075 -3.333 6.453 1.00 0.00 C ATOM 892 CD GLU A 59 -9.235 -4.738 5.870 1.00 0.00 C ATOM 893 OE1 GLU A 59 -9.313 -4.831 4.626 1.00 0.00 O ATOM 894 OE2 GLU A 59 -9.277 -5.688 6.682 1.00 0.00 O ATOM 0 H GLU A 59 -9.070 -0.586 8.272 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.060 -0.762 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.144 -2.825 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.620 -2.602 5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.196 -2.854 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.908 -3.398 7.528 1.00 0.00 H new ATOM 901 N GLU A 60 -11.017 1.173 6.115 1.00 0.00 N ATOM 902 CA GLU A 60 -11.946 2.138 5.552 1.00 0.00 C ATOM 903 C GLU A 60 -12.066 1.939 4.039 1.00 0.00 C ATOM 904 O GLU A 60 -11.168 2.313 3.287 1.00 0.00 O ATOM 905 CB GLU A 60 -11.520 3.569 5.884 1.00 0.00 C ATOM 906 CG GLU A 60 -12.469 4.201 6.904 1.00 0.00 C ATOM 907 CD GLU A 60 -12.857 5.621 6.487 1.00 0.00 C ATOM 908 OE1 GLU A 60 -12.094 6.545 6.842 1.00 0.00 O ATOM 909 OE2 GLU A 60 -13.907 5.750 5.821 1.00 0.00 O ATOM 0 H GLU A 60 -10.335 1.566 6.763 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.926 1.973 6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.504 3.567 6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.507 4.169 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.366 3.589 7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.992 4.224 7.884 1.00 0.00 H new ATOM 916 N ASP A 61 -13.184 1.350 3.639 1.00 0.00 N ATOM 917 CA ASP A 61 -13.433 1.097 2.230 1.00 0.00 C ATOM 918 C ASP A 61 -13.048 2.335 1.418 1.00 0.00 C ATOM 919 O ASP A 61 -13.316 3.462 1.832 1.00 0.00 O ATOM 920 CB ASP A 61 -14.913 0.807 1.976 1.00 0.00 C ATOM 921 CG ASP A 61 -15.196 -0.483 1.203 1.00 0.00 C ATOM 922 OD1 ASP A 61 -14.227 -1.245 0.995 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.375 -0.679 0.837 1.00 0.00 O ATOM 0 H ASP A 61 -13.927 1.041 4.266 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.840 0.232 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.428 0.758 2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.343 1.644 1.426 1.00 0.00 H new ATOM 928 N PRO A 62 -12.408 2.077 0.246 1.00 0.00 N ATOM 929 CA PRO A 62 -11.983 3.158 -0.628 1.00 0.00 C ATOM 930 C PRO A 62 -13.175 3.762 -1.372 1.00 0.00 C ATOM 931 O PRO A 62 -13.012 4.687 -2.167 1.00 0.00 O ATOM 932 CB PRO A 62 -10.958 2.531 -1.559 1.00 0.00 C ATOM 933 CG PRO A 62 -11.187 1.030 -1.481 1.00 0.00 C ATOM 934 CD PRO A 62 -12.073 0.756 -0.277 1.00 0.00 C ATOM 0 HA PRO A 62 -11.547 3.994 -0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.084 2.893 -2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.944 2.788 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.660 0.668 -2.394 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.238 0.503 -1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.969 0.204 -0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.553 0.155 0.469 1.00 0.00 H new ATOM 942 N ARG A 63 -14.348 3.215 -1.088 1.00 0.00 N ATOM 943 CA ARG A 63 -15.568 3.689 -1.720 1.00 0.00 C ATOM 944 C ARG A 63 -16.174 4.837 -0.910 1.00 0.00 C ATOM 945 O ARG A 63 -16.751 5.764 -1.477 1.00 0.00 O ATOM 946 CB ARG A 63 -16.596 2.563 -1.846 1.00 0.00 C ATOM 947 CG ARG A 63 -15.958 1.300 -2.427 1.00 0.00 C ATOM 948 CD ARG A 63 -15.952 1.341 -3.956 1.00 0.00 C ATOM 949 NE ARG A 63 -15.886 -0.034 -4.500 1.00 0.00 N ATOM 950 CZ ARG A 63 -15.890 -0.326 -5.807 1.00 0.00 C ATOM 951 NH1 ARG A 63 -15.956 0.659 -6.713 1.00 0.00 N ATOM 952 NH2 ARG A 63 -15.827 -1.603 -6.209 1.00 0.00 N ATOM 0 H ARG A 63 -14.480 2.448 -0.429 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.309 4.042 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -17.021 2.343 -0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.418 2.886 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.937 1.202 -2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.506 0.422 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -16.850 1.841 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.100 1.922 -4.309 1.00 0.00 H new ATOM 0 HE ARG A 63 -15.834 -0.808 -3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -16.003 1.631 -6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.959 0.437 -7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -15.776 -2.353 -5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.830 -1.825 -7.205 1.00 0.00 H new ATOM 966 N THR A 64 -16.023 4.737 0.402 1.00 0.00 N ATOM 967 CA THR A 64 -16.549 5.754 1.296 1.00 0.00 C ATOM 968 C THR A 64 -15.406 6.500 1.986 1.00 0.00 C ATOM 969 O THR A 64 -15.588 7.620 2.462 1.00 0.00 O ATOM 970 CB THR A 64 -17.510 5.075 2.274 1.00 0.00 C ATOM 971 OG1 THR A 64 -17.678 6.031 3.317 1.00 0.00 O ATOM 972 CG2 THR A 64 -16.878 3.869 2.972 1.00 0.00 C ATOM 0 H THR A 64 -15.543 3.967 0.868 1.00 0.00 H new ATOM 0 HA THR A 64 -17.106 6.513 0.747 1.00 0.00 H new ATOM 0 HB THR A 64 -18.406 4.758 1.741 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.289 5.672 3.994 1.00 0.00 H new ATOM 0 HG21 THR A 64 -17.601 3.424 3.655 1.00 0.00 H new ATOM 0 HG22 THR A 64 -16.581 3.131 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 64 -16.001 4.192 3.533 1.00 0.00 H new ATOM 980 N ALA A 65 -14.252 5.849 2.020 1.00 0.00 N ATOM 981 CA ALA A 65 -13.079 6.436 2.644 1.00 0.00 C ATOM 982 C ALA A 65 -13.022 7.928 2.310 1.00 0.00 C ATOM 983 O ALA A 65 -13.335 8.329 1.190 1.00 0.00 O ATOM 984 CB ALA A 65 -11.827 5.687 2.185 1.00 0.00 C ATOM 0 H ALA A 65 -14.105 4.920 1.625 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.134 6.343 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.947 6.128 2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.904 4.638 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.736 5.760 1.101 1.00 0.00 H new ATOM 990 N SER A 66 -12.618 8.709 3.301 1.00 0.00 N ATOM 991 CA SER A 66 -12.516 10.148 3.126 1.00 0.00 C ATOM 992 C SER A 66 -11.272 10.487 2.302 1.00 0.00 C ATOM 993 O SER A 66 -10.286 9.752 2.329 1.00 0.00 O ATOM 994 CB SER A 66 -12.470 10.866 4.476 1.00 0.00 C ATOM 995 OG SER A 66 -13.763 11.293 4.898 1.00 0.00 O ATOM 0 H SER A 66 -12.357 8.373 4.228 1.00 0.00 H new ATOM 0 HA SER A 66 -13.403 10.491 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.045 10.200 5.227 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.808 11.729 4.405 1.00 0.00 H new ATOM 0 HG SER A 66 -13.692 11.745 5.764 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.358 11.602 1.591 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.252 12.047 0.761 1.00 0.00 C ATOM 1003 C GLN A 67 -8.929 11.902 1.517 1.00 0.00 C ATOM 1004 O GLN A 67 -7.939 11.432 0.958 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.462 13.490 0.296 1.00 0.00 C ATOM 1006 CG GLN A 67 -11.051 13.530 -1.115 1.00 0.00 C ATOM 1007 CD GLN A 67 -11.717 14.880 -1.393 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -11.110 15.933 -1.290 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -12.995 14.790 -1.750 1.00 0.00 N ATOM 0 H GLN A 67 -12.177 12.210 1.573 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.212 11.416 -0.127 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.129 14.005 0.987 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.512 14.023 0.313 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.263 13.351 -1.847 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.781 12.729 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.443 13.876 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.527 15.635 -1.957 1.00 0.00 H new ATOM 1018 N SER A 68 -8.956 12.314 2.776 1.00 0.00 N ATOM 1019 CA SER A 68 -7.771 12.235 3.614 1.00 0.00 C ATOM 1020 C SER A 68 -7.172 10.830 3.542 1.00 0.00 C ATOM 1021 O SER A 68 -5.964 10.674 3.364 1.00 0.00 O ATOM 1022 CB SER A 68 -8.097 12.599 5.064 1.00 0.00 C ATOM 1023 OG SER A 68 -9.174 11.822 5.580 1.00 0.00 O ATOM 0 H SER A 68 -9.779 12.703 3.236 1.00 0.00 H new ATOM 0 HA SER A 68 -7.041 12.954 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.213 12.449 5.683 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.352 13.657 5.124 1.00 0.00 H new ATOM 0 HG SER A 68 -9.350 12.083 6.508 1.00 0.00 H new ATOM 1029 N LEU A 69 -8.043 9.841 3.683 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.614 8.454 3.636 1.00 0.00 C ATOM 1031 C LEU A 69 -7.321 8.063 2.186 1.00 0.00 C ATOM 1032 O LEU A 69 -6.231 7.586 1.876 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.643 7.551 4.320 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.088 6.304 5.011 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.117 5.707 5.973 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.601 5.280 3.984 1.00 0.00 C ATOM 0 H LEU A 69 -9.044 9.973 3.830 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.687 8.324 4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.181 8.143 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.372 7.234 3.574 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.224 6.599 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.697 4.822 6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.373 6.444 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.014 5.430 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.211 4.403 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.432 4.984 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.813 5.722 3.375 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.314 8.282 1.336 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.177 7.959 -0.074 1.00 0.00 C ATOM 1050 C LEU A 70 -6.807 8.427 -0.569 1.00 0.00 C ATOM 1051 O LEU A 70 -6.133 7.712 -1.309 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.349 8.534 -0.872 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.546 7.602 -1.071 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -11.756 8.371 -1.605 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.177 6.419 -1.968 1.00 0.00 C ATOM 0 H LEU A 70 -9.217 8.679 1.597 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.219 6.880 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.696 9.437 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.982 8.836 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.827 7.194 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.593 7.686 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.034 9.150 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.504 8.826 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.046 5.772 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.856 6.787 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.367 5.853 -1.509 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.437 9.625 -0.140 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.159 10.197 -0.531 1.00 0.00 C ATOM 1069 C VAL A 71 -4.046 9.186 -0.251 1.00 0.00 C ATOM 1070 O VAL A 71 -3.145 9.007 -1.070 1.00 0.00 O ATOM 1071 CB VAL A 71 -4.945 11.534 0.181 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.455 11.864 0.292 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.705 12.659 -0.525 1.00 0.00 C ATOM 0 H VAL A 71 -6.999 10.215 0.474 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.146 10.407 -1.600 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.344 11.443 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.331 12.819 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.950 11.082 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.021 11.926 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.536 13.598 0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.350 12.749 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.771 12.432 -0.528 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.144 8.550 0.907 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.156 7.562 1.305 1.00 0.00 C ATOM 1085 C ASN A 72 -3.359 6.286 0.485 1.00 0.00 C ATOM 1086 O ASN A 72 -2.400 5.724 -0.043 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.303 7.201 2.784 1.00 0.00 C ATOM 1088 CG ASN A 72 -2.903 8.377 3.678 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -1.839 8.958 3.544 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -3.813 8.693 4.595 1.00 0.00 N ATOM 0 H ASN A 72 -4.893 8.700 1.583 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.167 7.986 1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.334 6.916 2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.681 6.336 3.015 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.640 9.464 5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.684 8.165 4.653 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.613 5.866 0.402 1.00 0.00 N ATOM 1098 CA LEU A 73 -4.953 4.668 -0.345 1.00 0.00 C ATOM 1099 C LEU A 73 -4.385 4.776 -1.761 1.00 0.00 C ATOM 1100 O LEU A 73 -3.701 3.868 -2.230 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.463 4.422 -0.304 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.100 4.386 1.086 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.618 4.217 0.990 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.457 3.304 1.956 1.00 0.00 C ATOM 0 H LEU A 73 -5.406 6.335 0.840 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.498 3.790 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.954 5.202 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.670 3.474 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.913 5.344 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.046 4.194 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.043 5.052 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.848 3.284 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.928 3.300 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.592 2.330 1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.392 3.510 2.065 1.00 0.00 H new ATOM 1116 N ARG A 74 -4.690 5.895 -2.402 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.218 6.134 -3.756 1.00 0.00 C ATOM 1118 C ARG A 74 -2.699 5.969 -3.825 1.00 0.00 C ATOM 1119 O ARG A 74 -2.185 5.282 -4.707 1.00 0.00 O ATOM 1120 CB ARG A 74 -4.594 7.539 -4.230 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.092 7.635 -4.527 1.00 0.00 C ATOM 1122 CD ARG A 74 -6.613 9.049 -4.266 1.00 0.00 C ATOM 1123 NE ARG A 74 -7.718 9.362 -5.199 1.00 0.00 N ATOM 1124 CZ ARG A 74 -8.510 10.437 -5.093 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -8.324 11.310 -4.093 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -9.489 10.640 -5.986 1.00 0.00 N ATOM 0 H ARG A 74 -5.258 6.646 -2.009 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.696 5.403 -4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.323 8.269 -3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.025 7.789 -5.126 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.279 7.361 -5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.636 6.923 -3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.961 9.133 -3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.806 9.771 -4.390 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.887 8.718 -5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.580 11.156 -3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.927 12.129 -4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.631 9.976 -6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.092 11.459 -5.905 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.022 6.611 -2.883 1.00 0.00 N ATOM 1141 CA ALA A 75 -0.572 6.544 -2.827 1.00 0.00 C ATOM 1142 C ALA A 75 -0.137 5.081 -2.711 1.00 0.00 C ATOM 1143 O ALA A 75 0.706 4.619 -3.477 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.067 7.396 -1.661 1.00 0.00 C ATOM 0 H ALA A 75 -2.451 7.180 -2.153 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.134 6.947 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.021 7.346 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.377 8.431 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.484 7.019 -0.727 1.00 0.00 H new ATOM 1150 N MET A 76 -0.733 4.395 -1.747 1.00 0.00 N ATOM 1151 CA MET A 76 -0.417 2.994 -1.521 1.00 0.00 C ATOM 1152 C MET A 76 -0.539 2.189 -2.817 1.00 0.00 C ATOM 1153 O MET A 76 0.449 1.648 -3.311 1.00 0.00 O ATOM 1154 CB MET A 76 -1.370 2.419 -0.471 1.00 0.00 C ATOM 1155 CG MET A 76 -0.979 2.880 0.934 1.00 0.00 C ATOM 1156 SD MET A 76 -2.070 2.147 2.142 1.00 0.00 S ATOM 1157 CE MET A 76 -3.106 3.552 2.517 1.00 0.00 C ATOM 0 H MET A 76 -1.432 4.782 -1.114 1.00 0.00 H new ATOM 0 HA MET A 76 0.612 2.925 -1.168 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.391 2.733 -0.690 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.355 1.330 -0.518 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.053 2.598 1.145 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.031 3.967 0.997 1.00 0.00 H new ATOM 0 HE1 MET A 76 -4.085 3.204 2.848 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.645 4.144 3.308 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.222 4.167 1.625 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.759 2.135 -3.330 1.00 0.00 N ATOM 1168 CA GLN A 77 -2.023 1.405 -4.559 1.00 0.00 C ATOM 1169 C GLN A 77 -1.055 1.848 -5.657 1.00 0.00 C ATOM 1170 O GLN A 77 -0.684 1.054 -6.521 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.476 1.586 -5.003 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.755 0.810 -6.292 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.609 -0.428 -6.012 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.699 -0.593 -6.534 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.054 -1.287 -5.162 1.00 0.00 N ATOM 0 H GLN A 77 -2.576 2.585 -2.917 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.865 0.343 -4.369 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.146 1.243 -4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.683 2.645 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.267 1.455 -7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.813 0.510 -6.752 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.138 -1.088 -4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.545 -2.145 -4.911 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.672 3.115 -5.589 1.00 0.00 N ATOM 1185 CA ASN A 78 0.246 3.673 -6.568 1.00 0.00 C ATOM 1186 C ASN A 78 1.646 3.105 -6.329 1.00 0.00 C ATOM 1187 O ASN A 78 2.374 2.818 -7.278 1.00 0.00 O ATOM 1188 CB ASN A 78 0.326 5.196 -6.442 1.00 0.00 C ATOM 1189 CG ASN A 78 1.126 5.800 -7.597 1.00 0.00 C ATOM 1190 OD1 ASN A 78 1.354 5.177 -8.621 1.00 0.00 O ATOM 1191 ND2 ASN A 78 1.538 7.045 -7.377 1.00 0.00 N ATOM 0 H ASN A 78 -0.981 3.771 -4.871 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.120 3.412 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.679 5.617 -6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.792 5.462 -5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.080 7.536 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.312 7.509 -6.497 1.00 0.00 H new ATOM 1198 N PHE A 79 1.982 2.959 -5.055 1.00 0.00 N ATOM 1199 CA PHE A 79 3.282 2.430 -4.680 1.00 0.00 C ATOM 1200 C PHE A 79 3.344 0.918 -4.905 1.00 0.00 C ATOM 1201 O PHE A 79 4.400 0.379 -5.235 1.00 0.00 O ATOM 1202 CB PHE A 79 3.470 2.720 -3.190 1.00 0.00 C ATOM 1203 CG PHE A 79 4.712 2.067 -2.580 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.936 2.627 -2.767 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.590 0.925 -1.851 1.00 0.00 C ATOM 1206 CE1 PHE A 79 7.089 2.021 -2.201 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.743 0.318 -1.285 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.968 0.879 -1.472 1.00 0.00 C ATOM 0 H PHE A 79 1.376 3.198 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 79 4.061 2.893 -5.286 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.531 3.799 -3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.588 2.375 -2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.032 3.533 -3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.617 0.480 -1.703 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.061 2.467 -2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.647 -0.589 -0.706 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.845 0.418 -1.042 1.00 0.00 H new ATOM 1218 N LEU A 80 2.201 0.276 -4.716 1.00 0.00 N ATOM 1219 CA LEU A 80 2.112 -1.163 -4.894 1.00 0.00 C ATOM 1220 C LEU A 80 2.090 -1.488 -6.389 1.00 0.00 C ATOM 1221 O LEU A 80 2.345 -2.624 -6.785 1.00 0.00 O ATOM 1222 CB LEU A 80 0.915 -1.725 -4.125 1.00 0.00 C ATOM 1223 CG LEU A 80 0.961 -1.568 -2.604 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.405 -1.861 -1.981 1.00 0.00 C ATOM 1225 CD2 LEU A 80 2.065 -2.436 -1.997 1.00 0.00 C ATOM 0 H LEU A 80 1.328 0.726 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 80 2.990 -1.653 -4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.011 -1.239 -4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.824 -2.786 -4.358 1.00 0.00 H new ATOM 0 HG LEU A 80 1.204 -0.530 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.345 -1.742 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.144 -1.167 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.701 -2.883 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.076 -2.306 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.877 -3.483 -2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.029 -2.138 -2.408 1.00 0.00 H new ATOM 1237 N ASN A 81 1.783 -0.469 -7.179 1.00 0.00 N ATOM 1238 CA ASN A 81 1.724 -0.631 -8.621 1.00 0.00 C ATOM 1239 C ASN A 81 3.143 -0.596 -9.192 1.00 0.00 C ATOM 1240 O ASN A 81 3.375 -1.042 -10.315 1.00 0.00 O ATOM 1241 CB ASN A 81 0.925 0.500 -9.271 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.575 0.321 -9.030 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -1.068 -0.773 -8.805 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -1.272 1.452 -9.089 1.00 0.00 N ATOM 0 H ASN A 81 1.572 0.472 -6.847 1.00 0.00 H new ATOM 0 HA ASN A 81 1.238 -1.583 -8.833 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.250 1.459 -8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.125 0.522 -10.342 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.281 1.437 -8.942 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.797 2.334 -9.281 1.00 0.00 H new ATOM 1251 N LEU A 82 4.055 -0.063 -8.393 1.00 0.00 N ATOM 1252 CA LEU A 82 5.445 0.036 -8.805 1.00 0.00 C ATOM 1253 C LEU A 82 6.007 -1.369 -9.029 1.00 0.00 C ATOM 1254 O LEU A 82 5.434 -2.353 -8.564 1.00 0.00 O ATOM 1255 CB LEU A 82 6.245 0.865 -7.798 1.00 0.00 C ATOM 1256 CG LEU A 82 6.172 2.384 -7.971 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.085 3.094 -6.969 1.00 0.00 C ATOM 1258 CD2 LEU A 82 6.481 2.786 -9.414 1.00 0.00 C ATOM 0 H LEU A 82 3.859 0.305 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 82 5.524 0.567 -9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.898 0.616 -6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.290 0.562 -7.857 1.00 0.00 H new ATOM 0 HG LEU A 82 5.152 2.704 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.015 4.172 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.777 2.843 -5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.115 2.774 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.422 3.870 -9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.484 2.452 -9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.757 2.323 -10.084 1.00 0.00 H new ATOM 1270 N PRO A 83 7.153 -1.420 -9.761 1.00 0.00 N ATOM 1271 CA PRO A 83 7.799 -2.688 -10.052 1.00 0.00 C ATOM 1272 C PRO A 83 8.522 -3.231 -8.818 1.00 0.00 C ATOM 1273 O PRO A 83 9.180 -2.481 -8.100 1.00 0.00 O ATOM 1274 CB PRO A 83 8.739 -2.394 -11.210 1.00 0.00 C ATOM 1275 CG PRO A 83 8.929 -0.886 -11.220 1.00 0.00 C ATOM 1276 CD PRO A 83 7.860 -0.275 -10.328 1.00 0.00 C ATOM 0 HA PRO A 83 7.089 -3.470 -10.321 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.692 -2.907 -11.079 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.317 -2.741 -12.153 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.923 -0.624 -10.858 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.847 -0.498 -12.235 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.302 0.344 -9.547 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.186 0.364 -10.898 1.00 0.00 H new ATOM 1284 N GLU A 84 8.376 -4.532 -8.611 1.00 0.00 N ATOM 1285 CA GLU A 84 9.007 -5.184 -7.476 1.00 0.00 C ATOM 1286 C GLU A 84 10.413 -4.623 -7.256 1.00 0.00 C ATOM 1287 O GLU A 84 10.792 -4.310 -6.129 1.00 0.00 O ATOM 1288 CB GLU A 84 9.046 -6.701 -7.668 1.00 0.00 C ATOM 1289 CG GLU A 84 9.552 -7.065 -9.065 1.00 0.00 C ATOM 1290 CD GLU A 84 9.019 -8.430 -9.504 1.00 0.00 C ATOM 1291 OE1 GLU A 84 7.841 -8.473 -9.920 1.00 0.00 O ATOM 1292 OE2 GLU A 84 9.802 -9.401 -9.412 1.00 0.00 O ATOM 0 H GLU A 84 7.830 -5.152 -9.210 1.00 0.00 H new ATOM 0 HA GLU A 84 8.412 -4.978 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.693 -7.150 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.049 -7.116 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.240 -6.302 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.642 -7.078 -9.069 1.00 0.00 H new ATOM 1299 N VAL A 85 11.150 -4.513 -8.352 1.00 0.00 N ATOM 1300 CA VAL A 85 12.507 -3.996 -8.293 1.00 0.00 C ATOM 1301 C VAL A 85 12.511 -2.676 -7.519 1.00 0.00 C ATOM 1302 O VAL A 85 13.392 -2.440 -6.694 1.00 0.00 O ATOM 1303 CB VAL A 85 13.077 -3.862 -9.707 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.601 -5.008 -10.601 1.00 0.00 C ATOM 1305 CG2 VAL A 85 12.718 -2.505 -10.316 1.00 0.00 C ATOM 0 H VAL A 85 10.833 -4.773 -9.286 1.00 0.00 H new ATOM 0 HA VAL A 85 13.158 -4.688 -7.759 1.00 0.00 H new ATOM 0 HB VAL A 85 14.163 -3.921 -9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.020 -4.889 -11.600 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.930 -5.958 -10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.513 -4.995 -10.661 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.135 -2.435 -11.321 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.634 -2.404 -10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.129 -1.708 -9.697 1.00 0.00 H new ATOM 1315 N GLU A 86 11.517 -1.851 -7.813 1.00 0.00 N ATOM 1316 CA GLU A 86 11.395 -0.561 -7.155 1.00 0.00 C ATOM 1317 C GLU A 86 11.095 -0.751 -5.667 1.00 0.00 C ATOM 1318 O GLU A 86 11.872 -0.327 -4.814 1.00 0.00 O ATOM 1319 CB GLU A 86 10.322 0.298 -7.826 1.00 0.00 C ATOM 1320 CG GLU A 86 10.930 1.182 -8.916 1.00 0.00 C ATOM 1321 CD GLU A 86 10.054 2.409 -9.179 1.00 0.00 C ATOM 1322 OE1 GLU A 86 9.973 3.255 -8.263 1.00 0.00 O ATOM 1323 OE2 GLU A 86 9.486 2.473 -10.291 1.00 0.00 O ATOM 0 H GLU A 86 10.788 -2.051 -8.498 1.00 0.00 H new ATOM 0 HA GLU A 86 12.345 -0.035 -7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.555 -0.344 -8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.831 0.922 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.928 1.501 -8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.042 0.607 -9.835 1.00 0.00 H new ATOM 1330 N ARG A 87 9.964 -1.389 -5.401 1.00 0.00 N ATOM 1331 CA ARG A 87 9.551 -1.640 -4.031 1.00 0.00 C ATOM 1332 C ARG A 87 10.669 -2.346 -3.260 1.00 0.00 C ATOM 1333 O ARG A 87 10.995 -1.958 -2.139 1.00 0.00 O ATOM 1334 CB ARG A 87 8.288 -2.502 -3.986 1.00 0.00 C ATOM 1335 CG ARG A 87 7.200 -1.929 -4.897 1.00 0.00 C ATOM 1336 CD ARG A 87 5.838 -2.553 -4.585 1.00 0.00 C ATOM 1337 NE ARG A 87 5.608 -3.727 -5.456 1.00 0.00 N ATOM 1338 CZ ARG A 87 6.085 -4.953 -5.205 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.823 -5.174 -4.108 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.826 -5.959 -6.051 1.00 0.00 N ATOM 0 H ARG A 87 9.321 -1.739 -6.111 1.00 0.00 H new ATOM 0 HA ARG A 87 9.337 -0.677 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.527 -3.520 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.918 -2.558 -2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.146 -0.848 -4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.459 -2.115 -5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.798 -2.853 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.048 -1.817 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 87 5.051 -3.594 -6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.021 -4.408 -3.464 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.186 -6.108 -3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.265 -5.791 -6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.189 -6.893 -5.860 1.00 0.00 H new ATOM 1354 N ASP A 88 11.226 -3.368 -3.892 1.00 0.00 N ATOM 1355 CA ASP A 88 12.300 -4.131 -3.280 1.00 0.00 C ATOM 1356 C ASP A 88 13.379 -3.170 -2.776 1.00 0.00 C ATOM 1357 O ASP A 88 13.740 -3.198 -1.601 1.00 0.00 O ATOM 1358 CB ASP A 88 12.947 -5.080 -4.290 1.00 0.00 C ATOM 1359 CG ASP A 88 14.119 -5.901 -3.748 1.00 0.00 C ATOM 1360 OD1 ASP A 88 13.900 -6.604 -2.738 1.00 0.00 O ATOM 1361 OD2 ASP A 88 15.207 -5.808 -4.357 1.00 0.00 O ATOM 0 H ASP A 88 10.954 -3.686 -4.822 1.00 0.00 H new ATOM 0 HA ASP A 88 11.876 -4.711 -2.460 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.185 -5.765 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.295 -4.497 -5.142 1.00 0.00 H new ATOM 1366 N ARG A 89 13.863 -2.343 -3.690 1.00 0.00 N ATOM 1367 CA ARG A 89 14.893 -1.375 -3.354 1.00 0.00 C ATOM 1368 C ARG A 89 14.334 -0.313 -2.405 1.00 0.00 C ATOM 1369 O ARG A 89 14.943 -0.007 -1.381 1.00 0.00 O ATOM 1370 CB ARG A 89 15.439 -0.692 -4.609 1.00 0.00 C ATOM 1371 CG ARG A 89 16.927 -0.995 -4.796 1.00 0.00 C ATOM 1372 CD ARG A 89 17.248 -1.283 -6.264 1.00 0.00 C ATOM 1373 NE ARG A 89 18.664 -1.688 -6.402 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.700 -0.843 -6.311 1.00 0.00 C ATOM 1375 NH1 ARG A 89 19.484 0.460 -6.081 1.00 0.00 N ATOM 1376 NH2 ARG A 89 20.952 -1.299 -6.450 1.00 0.00 N ATOM 0 H ARG A 89 13.561 -2.323 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 89 15.706 -1.912 -2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.883 -1.031 -5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.290 0.385 -4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.520 -0.149 -4.450 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.207 -1.852 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.597 -2.073 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.054 -0.397 -6.868 1.00 0.00 H new ATOM 0 HE ARG A 89 18.864 -2.673 -6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.531 0.808 -5.975 1.00 0.00 H new ATOM 0 HH12 ARG A 89 20.273 1.103 -6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.117 -2.290 -6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.740 -0.655 -6.381 1.00 0.00 H new ATOM 1390 N ILE A 90 13.180 0.221 -2.780 1.00 0.00 N ATOM 1391 CA ILE A 90 12.532 1.243 -1.976 1.00 0.00 C ATOM 1392 C ILE A 90 12.549 0.816 -0.506 1.00 0.00 C ATOM 1393 O ILE A 90 13.010 1.563 0.355 1.00 0.00 O ATOM 1394 CB ILE A 90 11.131 1.539 -2.514 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.202 2.287 -3.846 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.293 2.291 -1.477 1.00 0.00 C ATOM 1397 CD1 ILE A 90 9.850 2.260 -4.563 1.00 0.00 C ATOM 0 H ILE A 90 12.678 -0.035 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 90 13.079 2.184 -2.042 1.00 0.00 H new ATOM 0 HB ILE A 90 10.630 0.590 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.505 3.320 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 90 11.964 1.835 -4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.302 2.489 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.200 1.685 -0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 90 10.779 3.235 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.928 2.799 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.562 1.227 -4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.096 2.735 -3.936 1.00 0.00 H new ATOM 1409 N TYR A 91 12.042 -0.384 -0.266 1.00 0.00 N ATOM 1410 CA TYR A 91 11.993 -0.919 1.084 1.00 0.00 C ATOM 1411 C TYR A 91 13.386 -0.938 1.717 1.00 0.00 C ATOM 1412 O TYR A 91 13.567 -0.480 2.844 1.00 0.00 O ATOM 1413 CB TYR A 91 11.486 -2.356 0.951 1.00 0.00 C ATOM 1414 CG TYR A 91 10.022 -2.462 0.518 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.071 -1.645 1.095 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.653 -3.375 -0.449 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.694 -1.744 0.688 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.275 -3.474 -0.856 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.364 -2.654 -0.267 1.00 0.00 C ATOM 1420 OH TYR A 91 6.062 -2.748 -0.652 1.00 0.00 O ATOM 0 H TYR A 91 11.662 -1.001 -0.984 1.00 0.00 H new ATOM 0 HA TYR A 91 11.350 -0.306 1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.107 -2.884 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.609 -2.864 1.908 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.360 -0.931 1.852 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.397 -4.015 -0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 91 6.940 -1.110 1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.972 -4.183 -1.612 1.00 0.00 H new ATOM 0 HH TYR A 91 5.487 -2.361 0.041 1.00 0.00 H new ATOM 1430 N GLN A 92 14.335 -1.474 0.964 1.00 0.00 N ATOM 1431 CA GLN A 92 15.706 -1.560 1.437 1.00 0.00 C ATOM 1432 C GLN A 92 16.228 -0.170 1.807 1.00 0.00 C ATOM 1433 O GLN A 92 16.574 0.080 2.960 1.00 0.00 O ATOM 1434 CB GLN A 92 16.606 -2.223 0.392 1.00 0.00 C ATOM 1435 CG GLN A 92 18.083 -1.970 0.700 1.00 0.00 C ATOM 1436 CD GLN A 92 18.501 -2.670 1.995 1.00 0.00 C ATOM 1437 OE1 GLN A 92 18.145 -2.268 3.091 1.00 0.00 O ATOM 1438 NE2 GLN A 92 19.272 -3.737 1.809 1.00 0.00 N ATOM 0 H GLN A 92 14.182 -1.853 0.030 1.00 0.00 H new ATOM 0 HA GLN A 92 15.723 -2.183 2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.414 -3.296 0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.366 -1.836 -0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.697 -2.329 -0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.261 -0.898 0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 92 19.533 -4.019 0.864 1.00 0.00 H new ATOM 0 HE22 GLN A 92 19.602 -4.274 2.611 1.00 0.00 H new ATOM 1447 N ASP A 93 16.269 0.697 0.806 1.00 0.00 N ATOM 1448 CA ASP A 93 16.743 2.056 1.012 1.00 0.00 C ATOM 1449 C ASP A 93 16.226 2.573 2.356 1.00 0.00 C ATOM 1450 O ASP A 93 17.002 3.051 3.181 1.00 0.00 O ATOM 1451 CB ASP A 93 16.228 2.991 -0.084 1.00 0.00 C ATOM 1452 CG ASP A 93 17.254 3.997 -0.610 1.00 0.00 C ATOM 1453 OD1 ASP A 93 18.445 3.822 -0.273 1.00 0.00 O ATOM 1454 OD2 ASP A 93 16.824 4.918 -1.337 1.00 0.00 O ATOM 0 H ASP A 93 15.982 0.485 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 93 17.833 2.040 0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.873 2.387 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.368 3.539 0.301 1.00 0.00 H new ATOM 1459 N GLU A 94 14.918 2.460 2.534 1.00 0.00 N ATOM 1460 CA GLU A 94 14.288 2.910 3.763 1.00 0.00 C ATOM 1461 C GLU A 94 15.101 2.452 4.975 1.00 0.00 C ATOM 1462 O GLU A 94 15.686 3.272 5.682 1.00 0.00 O ATOM 1463 CB GLU A 94 12.843 2.415 3.853 1.00 0.00 C ATOM 1464 CG GLU A 94 11.926 3.498 4.424 1.00 0.00 C ATOM 1465 CD GLU A 94 12.102 3.623 5.939 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.991 2.921 6.467 1.00 0.00 O ATOM 1467 OE2 GLU A 94 11.344 4.419 6.535 1.00 0.00 O ATOM 0 H GLU A 94 14.277 2.063 1.847 1.00 0.00 H new ATOM 0 HA GLU A 94 14.264 4.000 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.493 2.122 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.798 1.526 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.146 4.454 3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.888 3.259 4.193 1.00 0.00 H new