USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 490 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 Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -126:sc= 1.21 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -54:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot 72:sc= -0.619 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -32:sc= 0.727 USER MOD Single : A 46 GLN : amide:sc= -8.42! C(o=-8.4!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -150:sc= 0.569 USER MOD Single : A 57 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.6!) USER MOD Single : A 74 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-3.7!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.066 F(o=-1.4,f=-0.066) USER MOD Single : A 85 TYR OH : rot -18:sc= 1.26 USER MOD Single : A 88 ASN : amide:sc= -0.625 K(o=-0.63,f=-2) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 11.731 -31.250 -3.802 1.00 70.01 N ATOM 195 CA GLU A 15 10.842 -32.183 -4.485 1.00 22.15 C ATOM 196 C GLU A 15 9.524 -32.330 -3.730 1.00 22.15 C ATOM 197 O GLU A 15 9.239 -31.571 -2.803 1.00 50.11 O ATOM 198 CB GLU A 15 11.515 -33.550 -4.629 1.00 11.20 C ATOM 199 CG GLU A 15 11.550 -34.063 -6.059 1.00 0.12 C ATOM 200 CD GLU A 15 11.783 -35.559 -6.136 1.00 74.31 C ATOM 201 OE1 GLU A 15 12.796 -36.031 -5.579 1.00 62.03 O ATOM 202 OE2 GLU A 15 10.952 -36.258 -6.753 1.00 30.30 O ATOM 0 HA GLU A 15 10.630 -31.784 -5.477 1.00 22.15 H new ATOM 0 HB2 GLU A 15 12.535 -33.485 -4.250 1.00 11.20 H new ATOM 0 HB3 GLU A 15 10.988 -34.272 -4.005 1.00 11.20 H new ATOM 0 HG2 GLU A 15 10.608 -33.820 -6.551 1.00 0.12 H new ATOM 0 HG3 GLU A 15 12.339 -33.547 -6.607 1.00 0.12 H new ATOM 209 N TYR A 16 8.725 -33.311 -4.133 1.00 34.11 N ATOM 210 CA TYR A 16 7.435 -33.556 -3.497 1.00 65.54 C ATOM 211 C TYR A 16 7.258 -35.038 -3.181 1.00 35.24 C ATOM 212 O TYR A 16 8.128 -35.857 -3.479 1.00 12.24 O ATOM 213 CB TYR A 16 6.298 -33.077 -4.401 1.00 3.41 C ATOM 214 CG TYR A 16 6.464 -33.480 -5.849 1.00 34.34 C ATOM 215 CD1 TYR A 16 6.920 -32.572 -6.796 1.00 4.34 C ATOM 216 CD2 TYR A 16 6.162 -34.769 -6.270 1.00 23.53 C ATOM 217 CE1 TYR A 16 7.072 -32.936 -8.120 1.00 4.34 C ATOM 218 CE2 TYR A 16 6.313 -35.143 -7.591 1.00 53.32 C ATOM 219 CZ TYR A 16 6.768 -34.222 -8.512 1.00 73.43 C ATOM 220 OH TYR A 16 6.917 -34.590 -9.830 1.00 5.21 O ATOM 0 H TYR A 16 8.947 -33.950 -4.897 1.00 34.11 H new ATOM 0 HA TYR A 16 7.407 -32.997 -2.562 1.00 65.54 H new ATOM 0 HB2 TYR A 16 5.355 -33.477 -4.027 1.00 3.41 H new ATOM 0 HB3 TYR A 16 6.230 -31.991 -4.341 1.00 3.41 H new ATOM 0 HD1 TYR A 16 7.160 -31.564 -6.492 1.00 4.34 H new ATOM 0 HD2 TYR A 16 5.803 -35.491 -5.552 1.00 23.53 H new ATOM 0 HE1 TYR A 16 7.427 -32.217 -8.844 1.00 4.34 H new ATOM 0 HE2 TYR A 16 6.076 -36.150 -7.901 1.00 53.32 H new ATOM 0 HH TYR A 16 6.661 -35.530 -9.938 1.00 5.21 H new ATOM 230 N ILE A 17 6.124 -35.375 -2.575 1.00 54.03 N ATOM 231 CA ILE A 17 5.830 -36.758 -2.219 1.00 53.54 C ATOM 232 C ILE A 17 4.618 -37.277 -2.986 1.00 11.22 C ATOM 233 O ILE A 17 3.530 -36.706 -2.908 1.00 41.30 O ATOM 234 CB ILE A 17 5.570 -36.907 -0.709 1.00 0.13 C ATOM 235 CG1 ILE A 17 5.060 -38.315 -0.393 1.00 43.34 C ATOM 236 CG2 ILE A 17 4.574 -35.859 -0.236 1.00 53.33 C ATOM 237 CD1 ILE A 17 4.914 -38.587 1.087 1.00 2.13 C ATOM 0 H ILE A 17 5.394 -34.709 -2.320 1.00 54.03 H new ATOM 0 HA ILE A 17 6.707 -37.347 -2.488 1.00 53.54 H new ATOM 0 HB ILE A 17 6.509 -36.753 -0.178 1.00 0.13 H new ATOM 0 HG12 ILE A 17 4.095 -38.460 -0.878 1.00 43.34 H new ATOM 0 HG13 ILE A 17 5.745 -39.046 -0.822 1.00 43.34 H new ATOM 0 HG21 ILE A 17 4.401 -35.978 0.834 1.00 53.33 H new ATOM 0 HG22 ILE A 17 4.973 -34.864 -0.430 1.00 53.33 H new ATOM 0 HG23 ILE A 17 3.633 -35.983 -0.772 1.00 53.33 H new ATOM 0 HD11 ILE A 17 4.549 -39.603 1.236 1.00 2.13 H new ATOM 0 HD12 ILE A 17 5.882 -38.474 1.575 1.00 2.13 H new ATOM 0 HD13 ILE A 17 4.206 -37.880 1.519 1.00 2.13 H new ATOM 249 N ARG A 18 4.813 -38.364 -3.725 1.00 24.14 N ATOM 250 CA ARG A 18 3.736 -38.961 -4.505 1.00 24.30 C ATOM 251 C ARG A 18 3.386 -40.349 -3.975 1.00 51.41 C ATOM 252 O ARG A 18 4.116 -41.314 -4.201 1.00 1.34 O ATOM 253 CB ARG A 18 4.136 -39.053 -5.979 1.00 11.51 C ATOM 254 CG ARG A 18 3.945 -37.753 -6.743 1.00 43.41 C ATOM 255 CD ARG A 18 3.730 -38.005 -8.227 1.00 65.32 C ATOM 256 NE ARG A 18 2.387 -38.503 -8.509 1.00 14.22 N ATOM 257 CZ ARG A 18 1.879 -38.596 -9.733 1.00 13.53 C ATOM 258 NH1 ARG A 18 2.599 -38.227 -10.783 1.00 4.22 N ATOM 259 NH2 ARG A 18 0.648 -39.058 -9.908 1.00 74.42 N ATOM 0 H ARG A 18 5.707 -38.849 -3.800 1.00 24.14 H new ATOM 0 HA ARG A 18 2.857 -38.323 -4.413 1.00 24.30 H new ATOM 0 HB2 ARG A 18 5.182 -39.353 -6.045 1.00 11.51 H new ATOM 0 HB3 ARG A 18 3.548 -39.836 -6.458 1.00 11.51 H new ATOM 0 HG2 ARG A 18 3.089 -37.213 -6.337 1.00 43.41 H new ATOM 0 HG3 ARG A 18 4.819 -37.116 -6.604 1.00 43.41 H new ATOM 0 HD2 ARG A 18 3.897 -37.080 -8.780 1.00 65.32 H new ATOM 0 HD3 ARG A 18 4.466 -38.726 -8.582 1.00 65.32 H new ATOM 0 HE ARG A 18 1.807 -38.796 -7.723 1.00 14.22 H new ATOM 0 HH11 ARG A 18 3.546 -37.871 -10.652 1.00 4.22 H new ATOM 0 HH12 ARG A 18 2.206 -38.300 -11.722 1.00 4.22 H new ATOM 0 HH21 ARG A 18 0.091 -39.342 -9.102 1.00 74.42 H new ATOM 0 HH22 ARG A 18 0.259 -39.129 -10.848 1.00 74.42 H new ATOM 273 N VAL A 19 2.263 -40.441 -3.269 1.00 4.52 N ATOM 274 CA VAL A 19 1.815 -41.709 -2.707 1.00 64.21 C ATOM 275 C VAL A 19 0.294 -41.767 -2.624 1.00 42.31 C ATOM 276 O VAL A 19 -0.374 -40.736 -2.539 1.00 11.25 O ATOM 277 CB VAL A 19 2.404 -41.940 -1.303 1.00 23.52 C ATOM 278 CG1 VAL A 19 3.863 -42.360 -1.398 1.00 3.10 C ATOM 279 CG2 VAL A 19 2.255 -40.689 -0.450 1.00 62.44 C ATOM 0 H VAL A 19 1.647 -39.652 -3.073 1.00 4.52 H new ATOM 0 HA VAL A 19 2.169 -42.494 -3.375 1.00 64.21 H new ATOM 0 HB VAL A 19 1.849 -42.747 -0.824 1.00 23.52 H new ATOM 0 HG11 VAL A 19 4.262 -42.519 -0.396 1.00 3.10 H new ATOM 0 HG12 VAL A 19 3.939 -43.285 -1.969 1.00 3.10 H new ATOM 0 HG13 VAL A 19 4.435 -41.578 -1.897 1.00 3.10 H new ATOM 0 HG21 VAL A 19 2.677 -40.870 0.539 1.00 62.44 H new ATOM 0 HG22 VAL A 19 2.783 -39.861 -0.923 1.00 62.44 H new ATOM 0 HG23 VAL A 19 1.199 -40.438 -0.354 1.00 62.44 H new ATOM 289 N THR A 20 -0.249 -42.980 -2.649 1.00 50.13 N ATOM 290 CA THR A 20 -1.692 -43.173 -2.578 1.00 2.04 C ATOM 291 C THR A 20 -2.069 -44.070 -1.404 1.00 62.02 C ATOM 292 O THR A 20 -1.324 -44.981 -1.044 1.00 11.22 O ATOM 293 CB THR A 20 -2.241 -43.789 -3.878 1.00 35.52 C ATOM 294 OG1 THR A 20 -3.514 -44.397 -3.632 1.00 34.32 O ATOM 295 CG2 THR A 20 -1.278 -44.826 -4.435 1.00 23.54 C ATOM 0 H THR A 20 0.289 -43.844 -2.718 1.00 50.13 H new ATOM 0 HA THR A 20 -2.136 -42.188 -2.436 1.00 2.04 H new ATOM 0 HB THR A 20 -2.355 -42.991 -4.612 1.00 35.52 H new ATOM 0 HG1 THR A 20 -3.496 -45.329 -3.935 1.00 34.32 H new ATOM 0 HG21 THR A 20 -1.688 -45.247 -5.353 1.00 23.54 H new ATOM 0 HG22 THR A 20 -0.319 -44.354 -4.649 1.00 23.54 H new ATOM 0 HG23 THR A 20 -1.136 -45.621 -3.703 1.00 23.54 H new ATOM 303 N GLU A 21 -3.230 -43.806 -0.813 1.00 21.52 N ATOM 304 CA GLU A 21 -3.705 -44.591 0.321 1.00 64.53 C ATOM 305 C GLU A 21 -4.202 -45.960 -0.136 1.00 13.04 C ATOM 306 O GLU A 21 -3.819 -46.989 0.421 1.00 64.02 O ATOM 307 CB GLU A 21 -4.824 -43.847 1.052 1.00 61.31 C ATOM 308 CG GLU A 21 -5.056 -44.339 2.470 1.00 34.54 C ATOM 309 CD GLU A 21 -6.464 -44.861 2.683 1.00 31.54 C ATOM 310 OE1 GLU A 21 -6.739 -46.009 2.275 1.00 25.50 O ATOM 311 OE2 GLU A 21 -7.291 -44.123 3.258 1.00 41.23 O ATOM 0 H GLU A 21 -3.858 -43.056 -1.100 1.00 21.52 H new ATOM 0 HA GLU A 21 -2.869 -44.737 1.005 1.00 64.53 H new ATOM 0 HB2 GLU A 21 -4.584 -42.784 1.080 1.00 61.31 H new ATOM 0 HB3 GLU A 21 -5.749 -43.951 0.485 1.00 61.31 H new ATOM 0 HG2 GLU A 21 -4.341 -45.130 2.698 1.00 34.54 H new ATOM 0 HG3 GLU A 21 -4.865 -43.525 3.169 1.00 34.54 H new ATOM 318 N ASP A 22 -5.059 -45.963 -1.151 1.00 1.11 N ATOM 319 CA ASP A 22 -5.610 -47.204 -1.683 1.00 45.12 C ATOM 320 C ASP A 22 -4.913 -47.594 -2.983 1.00 53.23 C ATOM 321 O ASP A 22 -4.588 -46.737 -3.805 1.00 34.31 O ATOM 322 CB ASP A 22 -7.114 -47.060 -1.919 1.00 42.40 C ATOM 323 CG ASP A 22 -7.929 -47.404 -0.688 1.00 25.02 C ATOM 324 OD1 ASP A 22 -8.223 -48.601 -0.486 1.00 62.13 O ATOM 325 OD2 ASP A 22 -8.271 -46.477 0.075 1.00 52.32 O ATOM 0 H ASP A 22 -5.387 -45.120 -1.622 1.00 1.11 H new ATOM 0 HA ASP A 22 -5.440 -47.992 -0.950 1.00 45.12 H new ATOM 0 HB2 ASP A 22 -7.335 -46.037 -2.223 1.00 42.40 H new ATOM 0 HB3 ASP A 22 -7.413 -47.709 -2.742 1.00 42.40 H new ATOM 330 N GLU A 23 -4.687 -48.892 -3.161 1.00 42.45 N ATOM 331 CA GLU A 23 -4.027 -49.394 -4.361 1.00 52.41 C ATOM 332 C GLU A 23 -4.854 -49.085 -5.606 1.00 60.21 C ATOM 333 O GLU A 23 -4.308 -48.829 -6.678 1.00 74.25 O ATOM 334 CB GLU A 23 -3.796 -50.902 -4.250 1.00 33.13 C ATOM 335 CG GLU A 23 -5.063 -51.693 -3.970 1.00 12.20 C ATOM 336 CD GLU A 23 -4.929 -52.602 -2.764 1.00 31.11 C ATOM 337 OE1 GLU A 23 -5.826 -52.570 -1.895 1.00 62.21 O ATOM 338 OE2 GLU A 23 -3.928 -53.345 -2.689 1.00 14.04 O ATOM 0 H GLU A 23 -4.951 -49.614 -2.491 1.00 42.45 H new ATOM 0 HA GLU A 23 -3.064 -48.892 -4.452 1.00 52.41 H new ATOM 0 HB2 GLU A 23 -3.351 -51.262 -5.177 1.00 33.13 H new ATOM 0 HB3 GLU A 23 -3.075 -51.093 -3.455 1.00 33.13 H new ATOM 0 HG2 GLU A 23 -5.890 -51.002 -3.809 1.00 12.20 H new ATOM 0 HG3 GLU A 23 -5.314 -52.292 -4.846 1.00 12.20 H new ATOM 345 N ASN A 24 -6.174 -49.113 -5.454 1.00 51.43 N ATOM 346 CA ASN A 24 -7.077 -48.837 -6.566 1.00 31.21 C ATOM 347 C ASN A 24 -7.067 -47.353 -6.921 1.00 24.44 C ATOM 348 O ASN A 24 -7.317 -46.977 -8.066 1.00 4.43 O ATOM 349 CB ASN A 24 -8.500 -49.279 -6.216 1.00 65.42 C ATOM 350 CG ASN A 24 -9.107 -50.169 -7.284 1.00 13.24 C ATOM 351 OD1 ASN A 24 -9.307 -49.744 -8.422 1.00 12.14 O ATOM 352 ND2 ASN A 24 -9.405 -51.411 -6.920 1.00 3.24 N ATOM 0 H ASN A 24 -6.642 -49.324 -4.573 1.00 51.43 H new ATOM 0 HA ASN A 24 -6.730 -49.401 -7.431 1.00 31.21 H new ATOM 0 HB2 ASN A 24 -8.489 -49.812 -5.265 1.00 65.42 H new ATOM 0 HB3 ASN A 24 -9.128 -48.399 -6.080 1.00 65.42 H new ATOM 0 HD21 ASN A 24 -9.817 -52.055 -7.595 1.00 3.24 H new ATOM 0 HD22 ASN A 24 -9.222 -51.721 -5.966 1.00 3.24 H new ATOM 359 N ASP A 25 -6.775 -46.516 -5.931 1.00 72.41 N ATOM 360 CA ASP A 25 -6.730 -45.074 -6.138 1.00 52.44 C ATOM 361 C ASP A 25 -5.421 -44.661 -6.804 1.00 52.14 C ATOM 362 O ASP A 25 -4.429 -45.387 -6.747 1.00 54.01 O ATOM 363 CB ASP A 25 -6.892 -44.340 -4.806 1.00 73.20 C ATOM 364 CG ASP A 25 -7.756 -43.100 -4.929 1.00 63.11 C ATOM 365 OD1 ASP A 25 -7.244 -41.992 -4.663 1.00 54.01 O ATOM 366 OD2 ASP A 25 -8.942 -43.238 -5.292 1.00 53.43 O ATOM 0 H ASP A 25 -6.566 -46.812 -4.978 1.00 72.41 H new ATOM 0 HA ASP A 25 -7.554 -44.801 -6.797 1.00 52.44 H new ATOM 0 HB2 ASP A 25 -7.334 -45.016 -4.074 1.00 73.20 H new ATOM 0 HB3 ASP A 25 -5.909 -44.058 -4.428 1.00 73.20 H new ATOM 371 N GLU A 26 -5.428 -43.491 -7.436 1.00 64.32 N ATOM 372 CA GLU A 26 -4.241 -42.984 -8.115 1.00 3.03 C ATOM 373 C GLU A 26 -3.287 -42.325 -7.122 1.00 65.54 C ATOM 374 O GLU A 26 -3.687 -41.847 -6.061 1.00 32.40 O ATOM 375 CB GLU A 26 -4.636 -41.981 -9.201 1.00 34.33 C ATOM 376 CG GLU A 26 -4.593 -42.558 -10.606 1.00 14.40 C ATOM 377 CD GLU A 26 -3.587 -41.853 -11.495 1.00 31.11 C ATOM 378 OE1 GLU A 26 -3.592 -40.604 -11.521 1.00 64.43 O ATOM 379 OE2 GLU A 26 -2.796 -42.550 -12.164 1.00 43.41 O ATOM 0 H GLU A 26 -6.241 -42.878 -7.492 1.00 64.32 H new ATOM 0 HA GLU A 26 -3.731 -43.828 -8.579 1.00 3.03 H new ATOM 0 HB2 GLU A 26 -5.643 -41.616 -8.998 1.00 34.33 H new ATOM 0 HB3 GLU A 26 -3.968 -41.121 -9.150 1.00 34.33 H new ATOM 0 HG2 GLU A 26 -4.345 -43.618 -10.552 1.00 14.40 H new ATOM 0 HG3 GLU A 26 -5.583 -42.485 -11.055 1.00 14.40 H new ATOM 386 N PRO A 27 -1.993 -42.300 -7.475 1.00 5.15 N ATOM 387 CA PRO A 27 -0.954 -41.703 -6.629 1.00 62.35 C ATOM 388 C PRO A 27 -1.066 -40.184 -6.559 1.00 22.22 C ATOM 389 O PRO A 27 -0.730 -39.483 -7.513 1.00 45.23 O ATOM 390 CB PRO A 27 0.347 -42.112 -7.325 1.00 2.21 C ATOM 391 CG PRO A 27 -0.035 -42.325 -8.749 1.00 32.22 C ATOM 392 CD PRO A 27 -1.444 -42.851 -8.725 1.00 2.00 C ATOM 0 HA PRO A 27 -1.025 -42.041 -5.595 1.00 62.35 H new ATOM 0 HB2 PRO A 27 1.107 -41.336 -7.231 1.00 2.21 H new ATOM 0 HB3 PRO A 27 0.762 -43.020 -6.887 1.00 2.21 H new ATOM 0 HG2 PRO A 27 0.025 -41.394 -9.313 1.00 32.22 H new ATOM 0 HG3 PRO A 27 0.638 -43.033 -9.232 1.00 32.22 H new ATOM 0 HD2 PRO A 27 -2.012 -42.519 -9.594 1.00 2.00 H new ATOM 0 HD3 PRO A 27 -1.466 -43.941 -8.728 1.00 2.00 H new ATOM 400 N ILE A 28 -1.539 -39.683 -5.423 1.00 54.31 N ATOM 401 CA ILE A 28 -1.694 -38.246 -5.229 1.00 24.45 C ATOM 402 C ILE A 28 -0.359 -37.592 -4.887 1.00 55.52 C ATOM 403 O ILE A 28 0.451 -38.158 -4.155 1.00 1.33 O ATOM 404 CB ILE A 28 -2.706 -37.935 -4.111 1.00 33.34 C ATOM 405 CG1 ILE A 28 -2.871 -36.423 -3.949 1.00 15.13 C ATOM 406 CG2 ILE A 28 -2.260 -38.568 -2.801 1.00 34.21 C ATOM 407 CD1 ILE A 28 -3.431 -35.741 -5.177 1.00 73.25 C ATOM 0 H ILE A 28 -1.821 -40.250 -4.623 1.00 54.31 H new ATOM 0 HA ILE A 28 -2.067 -37.838 -6.169 1.00 24.45 H new ATOM 0 HB ILE A 28 -3.671 -38.360 -4.387 1.00 33.34 H new ATOM 0 HG12 ILE A 28 -3.529 -36.226 -3.102 1.00 15.13 H new ATOM 0 HG13 ILE A 28 -1.903 -35.984 -3.709 1.00 15.13 H new ATOM 0 HG21 ILE A 28 -2.986 -38.339 -2.021 1.00 34.21 H new ATOM 0 HG22 ILE A 28 -2.189 -39.649 -2.925 1.00 34.21 H new ATOM 0 HG23 ILE A 28 -1.285 -38.170 -2.518 1.00 34.21 H new ATOM 0 HD11 ILE A 28 -3.521 -34.671 -4.990 1.00 73.25 H new ATOM 0 HD12 ILE A 28 -2.763 -35.907 -6.022 1.00 73.25 H new ATOM 0 HD13 ILE A 28 -4.414 -36.153 -5.406 1.00 73.25 H new ATOM 419 N GLU A 29 -0.140 -36.395 -5.422 1.00 41.52 N ATOM 420 CA GLU A 29 1.096 -35.662 -5.173 1.00 21.22 C ATOM 421 C GLU A 29 0.864 -34.523 -4.185 1.00 15.32 C ATOM 422 O GLU A 29 -0.093 -33.758 -4.317 1.00 45.03 O ATOM 423 CB GLU A 29 1.660 -35.109 -6.483 1.00 43.30 C ATOM 424 CG GLU A 29 0.821 -33.993 -7.084 1.00 24.22 C ATOM 425 CD GLU A 29 1.352 -32.615 -6.740 1.00 15.30 C ATOM 426 OE1 GLU A 29 1.002 -31.651 -7.453 1.00 11.42 O ATOM 427 OE2 GLU A 29 2.116 -32.500 -5.759 1.00 54.11 O ATOM 0 H GLU A 29 -0.802 -35.913 -6.030 1.00 41.52 H new ATOM 0 HA GLU A 29 1.817 -36.354 -4.739 1.00 21.22 H new ATOM 0 HB2 GLU A 29 2.670 -34.738 -6.306 1.00 43.30 H new ATOM 0 HB3 GLU A 29 1.741 -35.921 -7.206 1.00 43.30 H new ATOM 0 HG2 GLU A 29 0.793 -34.108 -8.168 1.00 24.22 H new ATOM 0 HG3 GLU A 29 -0.205 -34.082 -6.727 1.00 24.22 H new ATOM 434 N ILE A 30 1.744 -34.417 -3.195 1.00 53.32 N ATOM 435 CA ILE A 30 1.635 -33.371 -2.185 1.00 71.24 C ATOM 436 C ILE A 30 2.942 -32.597 -2.053 1.00 20.15 C ATOM 437 O ILE A 30 4.034 -33.141 -2.220 1.00 0.33 O ATOM 438 CB ILE A 30 1.254 -33.953 -0.811 1.00 60.13 C ATOM 439 CG1 ILE A 30 1.274 -35.482 -0.857 1.00 70.34 C ATOM 440 CG2 ILE A 30 -0.116 -33.448 -0.384 1.00 31.53 C ATOM 441 CD1 ILE A 30 1.113 -36.130 0.500 1.00 1.11 C ATOM 0 H ILE A 30 2.540 -35.042 -3.071 1.00 53.32 H new ATOM 0 HA ILE A 30 0.847 -32.694 -2.514 1.00 71.24 H new ATOM 0 HB ILE A 30 1.987 -33.621 -0.076 1.00 60.13 H new ATOM 0 HG12 ILE A 30 0.475 -35.828 -1.513 1.00 70.34 H new ATOM 0 HG13 ILE A 30 2.214 -35.812 -1.299 1.00 70.34 H new ATOM 0 HG21 ILE A 30 -0.372 -33.868 0.589 1.00 31.53 H new ATOM 0 HG22 ILE A 30 -0.098 -32.360 -0.316 1.00 31.53 H new ATOM 0 HG23 ILE A 30 -0.861 -33.754 -1.118 1.00 31.53 H new ATOM 0 HD11 ILE A 30 1.137 -37.214 0.391 1.00 1.11 H new ATOM 0 HD12 ILE A 30 1.926 -35.813 1.153 1.00 1.11 H new ATOM 0 HD13 ILE A 30 0.160 -35.830 0.936 1.00 1.11 H new ATOM 453 N PRO A 31 2.831 -31.297 -1.743 1.00 12.13 N ATOM 454 CA PRO A 31 3.994 -30.420 -1.578 1.00 31.02 C ATOM 455 C PRO A 31 4.796 -30.751 -0.324 1.00 1.11 C ATOM 456 O PRO A 31 4.287 -30.657 0.793 1.00 71.21 O ATOM 457 CB PRO A 31 3.373 -29.025 -1.463 1.00 64.42 C ATOM 458 CG PRO A 31 1.996 -29.265 -0.950 1.00 14.14 C ATOM 459 CD PRO A 31 1.561 -30.583 -1.529 1.00 51.40 C ATOM 0 HA PRO A 31 4.700 -30.520 -2.402 1.00 31.02 H new ATOM 0 HB2 PRO A 31 3.944 -28.392 -0.784 1.00 64.42 H new ATOM 0 HB3 PRO A 31 3.353 -28.520 -2.429 1.00 64.42 H new ATOM 0 HG2 PRO A 31 1.985 -29.295 0.140 1.00 14.14 H new ATOM 0 HG3 PRO A 31 1.322 -28.464 -1.253 1.00 14.14 H new ATOM 0 HD2 PRO A 31 0.905 -31.125 -0.847 1.00 51.40 H new ATOM 0 HD3 PRO A 31 1.012 -30.451 -2.461 1.00 51.40 H new ATOM 467 N SER A 32 6.053 -31.138 -0.516 1.00 1.30 N ATOM 468 CA SER A 32 6.925 -31.486 0.600 1.00 51.30 C ATOM 469 C SER A 32 7.820 -30.309 0.977 1.00 23.42 C ATOM 470 O SER A 32 7.698 -29.219 0.419 1.00 21.54 O ATOM 471 CB SER A 32 7.783 -32.701 0.244 1.00 22.24 C ATOM 472 OG SER A 32 9.018 -32.304 -0.327 1.00 32.22 O ATOM 0 H SER A 32 6.490 -31.218 -1.434 1.00 1.30 H new ATOM 0 HA SER A 32 6.298 -31.732 1.457 1.00 51.30 H new ATOM 0 HB2 SER A 32 7.967 -33.295 1.139 1.00 22.24 H new ATOM 0 HB3 SER A 32 7.243 -33.339 -0.456 1.00 22.24 H new ATOM 0 HG SER A 32 8.850 -31.712 -1.090 1.00 32.22 H new ATOM 478 N GLU A 33 8.720 -30.540 1.928 1.00 1.12 N ATOM 479 CA GLU A 33 9.636 -29.499 2.381 1.00 73.21 C ATOM 480 C GLU A 33 10.910 -29.493 1.541 1.00 12.51 C ATOM 481 O GLU A 33 11.090 -30.334 0.661 1.00 24.30 O ATOM 482 CB GLU A 33 9.986 -29.703 3.856 1.00 35.25 C ATOM 483 CG GLU A 33 8.908 -29.215 4.810 1.00 22.24 C ATOM 484 CD GLU A 33 9.204 -29.570 6.255 1.00 73.02 C ATOM 485 OE1 GLU A 33 9.541 -28.653 7.033 1.00 33.22 O ATOM 486 OE2 GLU A 33 9.098 -30.763 6.607 1.00 65.43 O ATOM 0 H GLU A 33 8.834 -31.437 2.399 1.00 1.12 H new ATOM 0 HA GLU A 33 9.138 -28.536 2.263 1.00 73.21 H new ATOM 0 HB2 GLU A 33 10.165 -30.763 4.035 1.00 35.25 H new ATOM 0 HB3 GLU A 33 10.917 -29.181 4.075 1.00 35.25 H new ATOM 0 HG2 GLU A 33 8.809 -28.133 4.718 1.00 22.24 H new ATOM 0 HG3 GLU A 33 7.950 -29.648 4.522 1.00 22.24 H new ATOM 493 N ASP A 34 11.789 -28.537 1.819 1.00 5.22 N ATOM 494 CA ASP A 34 13.047 -28.420 1.091 1.00 43.44 C ATOM 495 C ASP A 34 14.030 -29.503 1.525 1.00 52.21 C ATOM 496 O ASP A 34 14.787 -30.031 0.710 1.00 11.23 O ATOM 497 CB ASP A 34 13.663 -27.037 1.312 1.00 73.02 C ATOM 498 CG ASP A 34 13.923 -26.747 2.777 1.00 64.11 C ATOM 499 OD1 ASP A 34 12.943 -26.563 3.529 1.00 5.41 O ATOM 500 OD2 ASP A 34 15.107 -26.705 3.171 1.00 23.44 O ATOM 0 H ASP A 34 11.654 -27.832 2.543 1.00 5.22 H new ATOM 0 HA ASP A 34 12.836 -28.550 0.029 1.00 43.44 H new ATOM 0 HB2 ASP A 34 14.600 -26.967 0.759 1.00 73.02 H new ATOM 0 HB3 ASP A 34 12.996 -26.276 0.907 1.00 73.02 H new ATOM 505 N ASP A 35 14.013 -29.828 2.813 1.00 55.12 N ATOM 506 CA ASP A 35 14.902 -30.848 3.356 1.00 71.12 C ATOM 507 C ASP A 35 14.596 -32.214 2.749 1.00 22.14 C ATOM 508 O ASP A 35 15.434 -33.115 2.770 1.00 74.12 O ATOM 509 CB ASP A 35 14.771 -30.911 4.878 1.00 32.44 C ATOM 510 CG ASP A 35 16.116 -30.880 5.577 1.00 12.21 C ATOM 511 OD1 ASP A 35 17.101 -31.376 4.991 1.00 30.22 O ATOM 512 OD2 ASP A 35 16.184 -30.358 6.709 1.00 14.04 O ATOM 0 H ASP A 35 13.393 -29.400 3.501 1.00 55.12 H new ATOM 0 HA ASP A 35 15.926 -30.577 3.099 1.00 71.12 H new ATOM 0 HB2 ASP A 35 14.166 -30.072 5.223 1.00 32.44 H new ATOM 0 HB3 ASP A 35 14.241 -31.822 5.157 1.00 32.44 H new ATOM 517 N GLY A 36 13.389 -32.360 2.211 1.00 64.44 N ATOM 518 CA GLY A 36 12.994 -33.620 1.607 1.00 0.42 C ATOM 519 C GLY A 36 11.820 -34.261 2.320 1.00 23.04 C ATOM 520 O GLY A 36 11.019 -34.965 1.705 1.00 14.10 O ATOM 0 H GLY A 36 12.678 -31.629 2.182 1.00 64.44 H new ATOM 0 HA2 GLY A 36 12.733 -33.453 0.562 1.00 0.42 H new ATOM 0 HA3 GLY A 36 13.841 -34.306 1.618 1.00 0.42 H new ATOM 524 N THR A 37 11.718 -34.020 3.624 1.00 50.22 N ATOM 525 CA THR A 37 10.636 -34.581 4.422 1.00 32.13 C ATOM 526 C THR A 37 9.298 -33.947 4.059 1.00 41.03 C ATOM 527 O THR A 37 9.197 -33.203 3.083 1.00 2.54 O ATOM 528 CB THR A 37 10.890 -34.387 5.929 1.00 3.01 C ATOM 529 OG1 THR A 37 10.789 -32.999 6.268 1.00 20.52 O ATOM 530 CG2 THR A 37 12.265 -34.910 6.317 1.00 31.25 C ATOM 0 H THR A 37 12.372 -33.440 4.149 1.00 50.22 H new ATOM 0 HA THR A 37 10.602 -35.648 4.201 1.00 32.13 H new ATOM 0 HB THR A 37 10.136 -34.951 6.478 1.00 3.01 H new ATOM 0 HG1 THR A 37 9.851 -32.720 6.227 1.00 20.52 H new ATOM 0 HG21 THR A 37 12.422 -34.762 7.385 1.00 31.25 H new ATOM 0 HG22 THR A 37 12.329 -35.973 6.084 1.00 31.25 H new ATOM 0 HG23 THR A 37 13.030 -34.370 5.760 1.00 31.25 H new ATOM 538 N VAL A 38 8.272 -34.246 4.849 1.00 2.14 N ATOM 539 CA VAL A 38 6.940 -33.703 4.611 1.00 21.25 C ATOM 540 C VAL A 38 6.267 -33.305 5.920 1.00 30.22 C ATOM 541 O VAL A 38 6.243 -34.078 6.879 1.00 73.21 O ATOM 542 CB VAL A 38 6.045 -34.716 3.874 1.00 73.51 C ATOM 543 CG1 VAL A 38 4.610 -34.215 3.811 1.00 20.13 C ATOM 544 CG2 VAL A 38 6.585 -34.987 2.478 1.00 40.12 C ATOM 0 H VAL A 38 8.338 -34.862 5.660 1.00 2.14 H new ATOM 0 HA VAL A 38 7.065 -32.818 3.987 1.00 21.25 H new ATOM 0 HB VAL A 38 6.053 -35.653 4.430 1.00 73.51 H new ATOM 0 HG11 VAL A 38 3.993 -34.944 3.287 1.00 20.13 H new ATOM 0 HG12 VAL A 38 4.228 -34.077 4.823 1.00 20.13 H new ATOM 0 HG13 VAL A 38 4.580 -33.264 3.279 1.00 20.13 H new ATOM 0 HG21 VAL A 38 5.940 -35.705 1.972 1.00 40.12 H new ATOM 0 HG22 VAL A 38 6.609 -34.057 1.910 1.00 40.12 H new ATOM 0 HG23 VAL A 38 7.594 -35.393 2.551 1.00 40.12 H new ATOM 554 N LEU A 39 5.721 -32.095 5.954 1.00 53.23 N ATOM 555 CA LEU A 39 5.045 -31.593 7.146 1.00 45.15 C ATOM 556 C LEU A 39 3.794 -32.411 7.448 1.00 63.31 C ATOM 557 O LEU A 39 3.013 -32.727 6.549 1.00 3.51 O ATOM 558 CB LEU A 39 4.674 -30.120 6.963 1.00 32.30 C ATOM 559 CG LEU A 39 4.760 -29.246 8.215 1.00 75.32 C ATOM 560 CD1 LEU A 39 6.208 -29.065 8.641 1.00 41.00 C ATOM 561 CD2 LEU A 39 4.101 -27.897 7.969 1.00 40.41 C ATOM 0 H LEU A 39 5.733 -31.443 5.170 1.00 53.23 H new ATOM 0 HA LEU A 39 5.730 -31.687 7.989 1.00 45.15 H new ATOM 0 HB2 LEU A 39 5.326 -29.694 6.201 1.00 32.30 H new ATOM 0 HB3 LEU A 39 3.656 -30.068 6.577 1.00 32.30 H new ATOM 0 HG LEU A 39 4.226 -29.747 9.022 1.00 75.32 H new ATOM 0 HD11 LEU A 39 6.249 -28.440 9.533 1.00 41.00 H new ATOM 0 HD12 LEU A 39 6.648 -30.038 8.859 1.00 41.00 H new ATOM 0 HD13 LEU A 39 6.767 -28.586 7.837 1.00 41.00 H new ATOM 0 HD21 LEU A 39 4.171 -27.288 8.870 1.00 40.41 H new ATOM 0 HD22 LEU A 39 4.607 -27.389 7.148 1.00 40.41 H new ATOM 0 HD23 LEU A 39 3.052 -28.046 7.713 1.00 40.41 H new ATOM 573 N LEU A 40 3.609 -32.751 8.719 1.00 53.43 N ATOM 574 CA LEU A 40 2.451 -33.531 9.141 1.00 15.30 C ATOM 575 C LEU A 40 1.160 -32.926 8.598 1.00 74.41 C ATOM 576 O LEU A 40 0.239 -33.647 8.212 1.00 64.20 O ATOM 577 CB LEU A 40 2.390 -33.604 10.668 1.00 73.43 C ATOM 578 CG LEU A 40 1.755 -34.866 11.254 1.00 13.20 C ATOM 579 CD1 LEU A 40 1.815 -34.837 12.773 1.00 22.23 C ATOM 580 CD2 LEU A 40 0.316 -35.009 10.778 1.00 23.33 C ATOM 0 H LEU A 40 4.246 -32.499 9.475 1.00 53.43 H new ATOM 0 HA LEU A 40 2.556 -34.539 8.739 1.00 15.30 H new ATOM 0 HB2 LEU A 40 3.405 -33.518 11.057 1.00 73.43 H new ATOM 0 HB3 LEU A 40 1.835 -32.739 11.031 1.00 73.43 H new ATOM 0 HG LEU A 40 2.320 -35.730 10.905 1.00 13.20 H new ATOM 0 HD11 LEU A 40 1.359 -35.743 13.173 1.00 22.23 H new ATOM 0 HD12 LEU A 40 2.855 -34.782 13.095 1.00 22.23 H new ATOM 0 HD13 LEU A 40 1.275 -33.965 13.142 1.00 22.23 H new ATOM 0 HD21 LEU A 40 -0.120 -35.912 11.205 1.00 23.33 H new ATOM 0 HD22 LEU A 40 -0.261 -34.141 11.098 1.00 23.33 H new ATOM 0 HD23 LEU A 40 0.298 -35.076 9.690 1.00 23.33 H new ATOM 592 N SER A 41 1.100 -31.599 8.569 1.00 50.10 N ATOM 593 CA SER A 41 -0.079 -30.897 8.074 1.00 23.23 C ATOM 594 C SER A 41 -0.420 -31.341 6.655 1.00 24.41 C ATOM 595 O SER A 41 -1.591 -31.441 6.287 1.00 65.51 O ATOM 596 CB SER A 41 0.151 -29.385 8.106 1.00 21.03 C ATOM 597 OG SER A 41 -1.059 -28.690 8.355 1.00 23.55 O ATOM 0 H SER A 41 1.854 -30.988 8.882 1.00 50.10 H new ATOM 0 HA SER A 41 -0.918 -31.144 8.725 1.00 23.23 H new ATOM 0 HB2 SER A 41 0.880 -29.141 8.879 1.00 21.03 H new ATOM 0 HB3 SER A 41 0.573 -29.058 7.156 1.00 21.03 H new ATOM 0 HG SER A 41 -0.885 -27.726 8.372 1.00 23.55 H new ATOM 603 N THR A 42 0.613 -31.607 5.861 1.00 72.12 N ATOM 604 CA THR A 42 0.425 -32.039 4.482 1.00 72.43 C ATOM 605 C THR A 42 -0.127 -33.459 4.421 1.00 64.21 C ATOM 606 O THR A 42 -0.925 -33.789 3.544 1.00 15.21 O ATOM 607 CB THR A 42 1.744 -31.979 3.689 1.00 1.21 C ATOM 608 OG1 THR A 42 2.276 -30.650 3.725 1.00 44.05 O ATOM 609 CG2 THR A 42 1.528 -32.406 2.245 1.00 10.41 C ATOM 0 H THR A 42 1.588 -31.531 6.150 1.00 72.12 H new ATOM 0 HA THR A 42 -0.292 -31.353 4.031 1.00 72.43 H new ATOM 0 HB THR A 42 2.452 -32.666 4.151 1.00 1.21 H new ATOM 0 HG1 THR A 42 3.115 -30.620 3.220 1.00 44.05 H new ATOM 0 HG21 THR A 42 2.474 -32.355 1.705 1.00 10.41 H new ATOM 0 HG22 THR A 42 1.150 -33.428 2.220 1.00 10.41 H new ATOM 0 HG23 THR A 42 0.805 -31.741 1.773 1.00 10.41 H new ATOM 617 N VAL A 43 0.304 -34.297 5.359 1.00 61.13 N ATOM 618 CA VAL A 43 -0.148 -35.682 5.413 1.00 72.13 C ATOM 619 C VAL A 43 -1.627 -35.763 5.773 1.00 74.52 C ATOM 620 O VAL A 43 -2.355 -36.621 5.270 1.00 43.42 O ATOM 621 CB VAL A 43 0.664 -36.498 6.436 1.00 34.21 C ATOM 622 CG1 VAL A 43 -0.115 -37.728 6.877 1.00 33.01 C ATOM 623 CG2 VAL A 43 2.012 -36.892 5.853 1.00 4.02 C ATOM 0 H VAL A 43 0.966 -34.041 6.092 1.00 61.13 H new ATOM 0 HA VAL A 43 0.005 -36.104 4.420 1.00 72.13 H new ATOM 0 HB VAL A 43 0.841 -35.876 7.313 1.00 34.21 H new ATOM 0 HG11 VAL A 43 0.474 -38.292 7.600 1.00 33.01 H new ATOM 0 HG12 VAL A 43 -1.054 -37.419 7.337 1.00 33.01 H new ATOM 0 HG13 VAL A 43 -0.325 -38.356 6.011 1.00 33.01 H new ATOM 0 HG21 VAL A 43 2.573 -37.468 6.589 1.00 4.02 H new ATOM 0 HG22 VAL A 43 1.859 -37.497 4.959 1.00 4.02 H new ATOM 0 HG23 VAL A 43 2.572 -35.994 5.592 1.00 4.02 H new ATOM 633 N THR A 44 -2.068 -34.865 6.648 1.00 53.33 N ATOM 634 CA THR A 44 -3.461 -34.835 7.076 1.00 1.53 C ATOM 635 C THR A 44 -4.357 -34.243 5.994 1.00 63.21 C ATOM 636 O THR A 44 -5.530 -34.598 5.884 1.00 62.14 O ATOM 637 CB THR A 44 -3.632 -34.018 8.371 1.00 35.23 C ATOM 638 OG1 THR A 44 -3.377 -32.633 8.114 1.00 13.25 O ATOM 639 CG2 THR A 44 -2.691 -34.520 9.456 1.00 53.10 C ATOM 0 H THR A 44 -1.480 -34.149 7.074 1.00 53.33 H new ATOM 0 HA THR A 44 -3.756 -35.867 7.263 1.00 1.53 H new ATOM 0 HB THR A 44 -4.658 -34.139 8.718 1.00 35.23 H new ATOM 0 HG1 THR A 44 -2.706 -32.550 7.405 1.00 13.25 H new ATOM 0 HG21 THR A 44 -2.830 -33.928 10.361 1.00 53.10 H new ATOM 0 HG22 THR A 44 -2.908 -35.566 9.670 1.00 53.10 H new ATOM 0 HG23 THR A 44 -1.660 -34.426 9.116 1.00 53.10 H new ATOM 647 N ALA A 45 -3.796 -33.340 5.196 1.00 22.13 N ATOM 648 CA ALA A 45 -4.544 -32.702 4.120 1.00 2.23 C ATOM 649 C ALA A 45 -5.279 -33.736 3.274 1.00 13.35 C ATOM 650 O ALA A 45 -6.468 -33.587 2.993 1.00 70.42 O ATOM 651 CB ALA A 45 -3.612 -31.872 3.250 1.00 1.51 C ATOM 0 H ALA A 45 -2.826 -33.034 5.275 1.00 22.13 H new ATOM 0 HA ALA A 45 -5.288 -32.043 4.569 1.00 2.23 H new ATOM 0 HB1 ALA A 45 -4.184 -31.401 2.450 1.00 1.51 H new ATOM 0 HB2 ALA A 45 -3.136 -31.102 3.858 1.00 1.51 H new ATOM 0 HB3 ALA A 45 -2.847 -32.517 2.818 1.00 1.51 H new ATOM 657 N GLN A 46 -4.564 -34.781 2.872 1.00 32.44 N ATOM 658 CA GLN A 46 -5.150 -35.839 2.057 1.00 12.12 C ATOM 659 C GLN A 46 -5.426 -37.083 2.895 1.00 12.35 C ATOM 660 O GLN A 46 -6.397 -37.802 2.657 1.00 1.32 O ATOM 661 CB GLN A 46 -4.221 -36.189 0.894 1.00 63.30 C ATOM 662 CG GLN A 46 -3.409 -35.008 0.387 1.00 60.32 C ATOM 663 CD GLN A 46 -2.506 -35.376 -0.774 1.00 20.30 C ATOM 664 OE1 GLN A 46 -2.445 -34.666 -1.778 1.00 12.42 O ATOM 665 NE2 GLN A 46 -1.798 -36.492 -0.643 1.00 2.10 N ATOM 0 H GLN A 46 -3.579 -34.918 3.097 1.00 32.44 H new ATOM 0 HA GLN A 46 -6.097 -35.474 1.659 1.00 12.12 H new ATOM 0 HB2 GLN A 46 -3.540 -36.979 1.209 1.00 63.30 H new ATOM 0 HB3 GLN A 46 -4.815 -36.590 0.073 1.00 63.30 H new ATOM 0 HG2 GLN A 46 -4.087 -34.212 0.077 1.00 60.32 H new ATOM 0 HG3 GLN A 46 -2.803 -34.612 1.202 1.00 60.32 H new ATOM 0 HE21 GLN A 46 -1.879 -37.051 0.207 1.00 2.10 H new ATOM 0 HE22 GLN A 46 -1.173 -36.790 -1.392 1.00 2.10 H new ATOM 674 N PHE A 47 -4.566 -37.331 3.878 1.00 73.13 N ATOM 675 CA PHE A 47 -4.717 -38.489 4.751 1.00 63.31 C ATOM 676 C PHE A 47 -4.959 -38.055 6.193 1.00 22.05 C ATOM 677 O PHE A 47 -4.070 -38.112 7.043 1.00 23.22 O ATOM 678 CB PHE A 47 -3.472 -39.377 4.675 1.00 14.45 C ATOM 679 CG PHE A 47 -2.832 -39.396 3.317 1.00 22.51 C ATOM 680 CD1 PHE A 47 -1.473 -39.165 3.174 1.00 54.43 C ATOM 681 CD2 PHE A 47 -3.588 -39.646 2.183 1.00 33.55 C ATOM 682 CE1 PHE A 47 -0.881 -39.183 1.925 1.00 4.42 C ATOM 683 CE2 PHE A 47 -3.001 -39.666 0.933 1.00 70.15 C ATOM 684 CZ PHE A 47 -1.646 -39.433 0.803 1.00 2.31 C ATOM 0 H PHE A 47 -3.758 -36.746 4.090 1.00 73.13 H new ATOM 0 HA PHE A 47 -5.582 -39.058 4.412 1.00 63.31 H new ATOM 0 HB2 PHE A 47 -2.743 -39.030 5.407 1.00 14.45 H new ATOM 0 HB3 PHE A 47 -3.744 -40.395 4.954 1.00 14.45 H new ATOM 0 HD1 PHE A 47 -0.870 -38.969 4.048 1.00 54.43 H new ATOM 0 HD2 PHE A 47 -4.648 -39.827 2.278 1.00 33.55 H new ATOM 0 HE1 PHE A 47 0.179 -39.002 1.827 1.00 4.42 H new ATOM 0 HE2 PHE A 47 -3.601 -39.864 0.057 1.00 70.15 H new ATOM 0 HZ PHE A 47 -1.186 -39.446 -0.174 1.00 2.31 H new ATOM 694 N PRO A 48 -6.192 -37.609 6.478 1.00 64.43 N ATOM 695 CA PRO A 48 -6.580 -37.156 7.817 1.00 75.45 C ATOM 696 C PRO A 48 -6.659 -38.304 8.817 1.00 63.40 C ATOM 697 O PRO A 48 -7.298 -39.324 8.559 1.00 44.55 O ATOM 698 CB PRO A 48 -7.966 -36.544 7.595 1.00 30.44 C ATOM 699 CG PRO A 48 -8.495 -37.232 6.384 1.00 44.52 C ATOM 700 CD PRO A 48 -7.301 -37.514 5.514 1.00 1.10 C ATOM 0 HA PRO A 48 -5.854 -36.461 8.239 1.00 75.45 H new ATOM 0 HB2 PRO A 48 -8.613 -36.707 8.457 1.00 30.44 H new ATOM 0 HB3 PRO A 48 -7.903 -35.467 7.442 1.00 30.44 H new ATOM 0 HG2 PRO A 48 -9.009 -38.155 6.653 1.00 44.52 H new ATOM 0 HG3 PRO A 48 -9.218 -36.604 5.863 1.00 44.52 H new ATOM 0 HD2 PRO A 48 -7.424 -38.439 4.950 1.00 1.10 H new ATOM 0 HD3 PRO A 48 -7.136 -36.718 4.788 1.00 1.10 H new ATOM 708 N GLY A 49 -6.004 -38.132 9.962 1.00 53.14 N ATOM 709 CA GLY A 49 -6.013 -39.162 10.984 1.00 51.03 C ATOM 710 C GLY A 49 -4.848 -40.122 10.849 1.00 3.15 C ATOM 711 O GLY A 49 -4.404 -40.711 11.834 1.00 23.23 O ATOM 0 H GLY A 49 -5.468 -37.298 10.199 1.00 53.14 H new ATOM 0 HA2 GLY A 49 -5.982 -38.694 11.968 1.00 51.03 H new ATOM 0 HA3 GLY A 49 -6.948 -39.719 10.926 1.00 51.03 H new ATOM 715 N ALA A 50 -4.352 -40.281 9.627 1.00 60.03 N ATOM 716 CA ALA A 50 -3.231 -41.176 9.367 1.00 31.03 C ATOM 717 C ALA A 50 -2.056 -40.866 10.289 1.00 53.24 C ATOM 718 O ALA A 50 -1.356 -39.869 10.104 1.00 74.44 O ATOM 719 CB ALA A 50 -2.803 -41.077 7.911 1.00 44.23 C ATOM 0 H ALA A 50 -4.709 -39.801 8.801 1.00 60.03 H new ATOM 0 HA ALA A 50 -3.558 -42.196 9.569 1.00 31.03 H new ATOM 0 HB1 ALA A 50 -1.965 -41.751 7.731 1.00 44.23 H new ATOM 0 HB2 ALA A 50 -3.637 -41.355 7.267 1.00 44.23 H new ATOM 0 HB3 ALA A 50 -2.500 -40.054 7.690 1.00 44.23 H new ATOM 725 N CYS A 51 -1.846 -41.724 11.281 1.00 51.24 N ATOM 726 CA CYS A 51 -0.756 -41.540 12.232 1.00 30.13 C ATOM 727 C CYS A 51 0.587 -41.874 11.592 1.00 42.24 C ATOM 728 O CYS A 51 1.610 -41.276 11.923 1.00 23.30 O ATOM 729 CB CYS A 51 -0.977 -42.414 13.467 1.00 21.45 C ATOM 730 SG CYS A 51 -1.637 -41.522 14.895 1.00 70.30 S ATOM 0 H CYS A 51 -2.416 -42.553 11.448 1.00 51.24 H new ATOM 0 HA CYS A 51 -0.743 -40.493 12.534 1.00 30.13 H new ATOM 0 HB2 CYS A 51 -1.661 -43.222 13.209 1.00 21.45 H new ATOM 0 HB3 CYS A 51 -0.030 -42.875 13.746 1.00 21.45 H new ATOM 0 HG CYS A 51 -1.791 -42.346 15.888 1.00 70.30 H new ATOM 736 N GLY A 52 0.576 -42.834 10.672 1.00 23.53 N ATOM 737 CA GLY A 52 1.800 -43.233 10.001 1.00 53.31 C ATOM 738 C GLY A 52 1.543 -43.819 8.627 1.00 53.32 C ATOM 739 O GLY A 52 0.477 -44.381 8.373 1.00 74.11 O ATOM 0 H GLY A 52 -0.258 -43.342 10.379 1.00 23.53 H new ATOM 0 HA2 GLY A 52 2.457 -42.369 9.907 1.00 53.31 H new ATOM 0 HA3 GLY A 52 2.324 -43.967 10.613 1.00 53.31 H new ATOM 743 N LEU A 53 2.520 -43.686 7.737 1.00 71.32 N ATOM 744 CA LEU A 53 2.394 -44.206 6.379 1.00 2.15 C ATOM 745 C LEU A 53 3.400 -45.325 6.130 1.00 73.44 C ATOM 746 O LEU A 53 4.535 -45.271 6.603 1.00 13.23 O ATOM 747 CB LEU A 53 2.600 -43.083 5.361 1.00 25.03 C ATOM 748 CG LEU A 53 1.859 -41.776 5.644 1.00 2.13 C ATOM 749 CD1 LEU A 53 0.479 -42.058 6.216 1.00 35.20 C ATOM 750 CD2 LEU A 53 2.664 -40.902 6.595 1.00 13.41 C ATOM 0 H LEU A 53 3.408 -43.223 7.931 1.00 71.32 H new ATOM 0 HA LEU A 53 1.389 -44.613 6.263 1.00 2.15 H new ATOM 0 HB2 LEU A 53 3.667 -42.867 5.300 1.00 25.03 H new ATOM 0 HB3 LEU A 53 2.292 -43.447 4.381 1.00 25.03 H new ATOM 0 HG LEU A 53 1.737 -41.239 4.703 1.00 2.13 H new ATOM 0 HD11 LEU A 53 -0.033 -41.116 6.411 1.00 35.20 H new ATOM 0 HD12 LEU A 53 -0.098 -42.644 5.501 1.00 35.20 H new ATOM 0 HD13 LEU A 53 0.578 -42.617 7.147 1.00 35.20 H new ATOM 0 HD21 LEU A 53 2.122 -39.976 6.785 1.00 13.41 H new ATOM 0 HD22 LEU A 53 2.817 -41.432 7.535 1.00 13.41 H new ATOM 0 HD23 LEU A 53 3.630 -40.671 6.147 1.00 13.41 H new ATOM 762 N ARG A 54 2.976 -46.338 5.381 1.00 34.41 N ATOM 763 CA ARG A 54 3.839 -47.470 5.067 1.00 22.33 C ATOM 764 C ARG A 54 4.308 -47.411 3.616 1.00 12.24 C ATOM 765 O ARG A 54 3.765 -46.657 2.808 1.00 11.25 O ATOM 766 CB ARG A 54 3.103 -48.787 5.323 1.00 4.12 C ATOM 767 CG ARG A 54 3.954 -49.834 6.023 1.00 62.11 C ATOM 768 CD ARG A 54 3.620 -51.237 5.539 1.00 5.34 C ATOM 769 NE ARG A 54 2.751 -51.945 6.474 1.00 34.42 N ATOM 770 CZ ARG A 54 2.409 -53.222 6.337 1.00 52.33 C ATOM 771 NH1 ARG A 54 2.862 -53.926 5.308 1.00 14.44 N ATOM 772 NH2 ARG A 54 1.613 -53.797 7.229 1.00 11.54 N ATOM 0 H ARG A 54 2.040 -46.398 4.980 1.00 34.41 H new ATOM 0 HA ARG A 54 4.713 -47.418 5.716 1.00 22.33 H new ATOM 0 HB2 ARG A 54 2.218 -48.587 5.927 1.00 4.12 H new ATOM 0 HB3 ARG A 54 2.756 -49.190 4.372 1.00 4.12 H new ATOM 0 HG2 ARG A 54 5.009 -49.627 5.843 1.00 62.11 H new ATOM 0 HG3 ARG A 54 3.797 -49.772 7.100 1.00 62.11 H new ATOM 0 HD2 ARG A 54 3.134 -51.179 4.565 1.00 5.34 H new ATOM 0 HD3 ARG A 54 4.542 -51.802 5.402 1.00 5.34 H new ATOM 0 HE ARG A 54 2.386 -51.432 7.276 1.00 34.42 H new ATOM 0 HH11 ARG A 54 3.474 -53.487 4.620 1.00 14.44 H new ATOM 0 HH12 ARG A 54 2.598 -54.906 5.205 1.00 14.44 H new ATOM 0 HH21 ARG A 54 1.262 -53.259 8.021 1.00 11.54 H new ATOM 0 HH22 ARG A 54 1.352 -54.777 7.122 1.00 11.54 H new ATOM 786 N TYR A 55 5.319 -48.210 3.294 1.00 53.34 N ATOM 787 CA TYR A 55 5.863 -48.246 1.941 1.00 15.12 C ATOM 788 C TYR A 55 5.388 -49.490 1.196 1.00 2.04 C ATOM 789 O TYR A 55 5.483 -50.606 1.706 1.00 24.44 O ATOM 790 CB TYR A 55 7.391 -48.215 1.983 1.00 42.43 C ATOM 791 CG TYR A 55 7.989 -46.977 1.351 1.00 31.44 C ATOM 792 CD1 TYR A 55 8.735 -46.080 2.106 1.00 61.22 C ATOM 793 CD2 TYR A 55 7.807 -46.705 0.001 1.00 32.13 C ATOM 794 CE1 TYR A 55 9.283 -44.948 1.534 1.00 75.23 C ATOM 795 CE2 TYR A 55 8.352 -45.576 -0.580 1.00 32.45 C ATOM 796 CZ TYR A 55 9.089 -44.701 0.191 1.00 55.03 C ATOM 797 OH TYR A 55 9.632 -43.575 -0.384 1.00 12.21 O ATOM 0 H TYR A 55 5.778 -48.841 3.951 1.00 53.34 H new ATOM 0 HA TYR A 55 5.503 -47.366 1.408 1.00 15.12 H new ATOM 0 HB2 TYR A 55 7.719 -48.278 3.021 1.00 42.43 H new ATOM 0 HB3 TYR A 55 7.778 -49.097 1.472 1.00 42.43 H new ATOM 0 HD1 TYR A 55 8.889 -46.271 3.158 1.00 61.22 H new ATOM 0 HD2 TYR A 55 7.230 -47.388 -0.605 1.00 32.13 H new ATOM 0 HE1 TYR A 55 9.860 -44.261 2.135 1.00 75.23 H new ATOM 0 HE2 TYR A 55 8.202 -45.380 -1.631 1.00 32.45 H new ATOM 0 HH TYR A 55 9.065 -43.282 -1.128 1.00 12.21 H new ATOM 807 N ARG A 56 4.877 -49.288 -0.014 1.00 24.21 N ATOM 808 CA ARG A 56 4.387 -50.392 -0.830 1.00 63.41 C ATOM 809 C ARG A 56 5.014 -50.360 -2.221 1.00 21.31 C ATOM 810 O ARG A 56 4.575 -49.612 -3.093 1.00 70.32 O ATOM 811 CB ARG A 56 2.863 -50.333 -0.945 1.00 10.45 C ATOM 812 CG ARG A 56 2.248 -51.585 -1.548 1.00 11.23 C ATOM 813 CD ARG A 56 1.927 -51.393 -3.022 1.00 32.33 C ATOM 814 NE ARG A 56 2.157 -52.611 -3.795 1.00 15.14 N ATOM 815 CZ ARG A 56 1.422 -53.710 -3.670 1.00 33.45 C ATOM 816 NH1 ARG A 56 0.415 -53.745 -2.807 1.00 42.42 N ATOM 817 NH2 ARG A 56 1.693 -54.779 -4.409 1.00 12.35 N ATOM 0 H ARG A 56 4.792 -48.370 -0.451 1.00 24.21 H new ATOM 0 HA ARG A 56 4.672 -51.325 -0.343 1.00 63.41 H new ATOM 0 HB2 ARG A 56 2.439 -50.171 0.046 1.00 10.45 H new ATOM 0 HB3 ARG A 56 2.586 -49.473 -1.555 1.00 10.45 H new ATOM 0 HG2 ARG A 56 2.936 -52.423 -1.430 1.00 11.23 H new ATOM 0 HG3 ARG A 56 1.337 -51.842 -1.007 1.00 11.23 H new ATOM 0 HD2 ARG A 56 0.887 -51.086 -3.130 1.00 32.33 H new ATOM 0 HD3 ARG A 56 2.540 -50.587 -3.425 1.00 32.33 H new ATOM 0 HE ARG A 56 2.924 -52.618 -4.467 1.00 15.14 H new ATOM 0 HH11 ARG A 56 0.203 -52.926 -2.237 1.00 42.42 H new ATOM 0 HH12 ARG A 56 -0.147 -54.591 -2.714 1.00 42.42 H new ATOM 0 HH21 ARG A 56 2.466 -54.757 -5.074 1.00 12.35 H new ATOM 0 HH22 ARG A 56 1.128 -55.623 -4.312 1.00 12.35 H new ATOM 831 N ASN A 57 6.044 -51.177 -2.419 1.00 74.23 N ATOM 832 CA ASN A 57 6.732 -51.242 -3.704 1.00 12.54 C ATOM 833 C ASN A 57 6.663 -52.649 -4.288 1.00 34.21 C ATOM 834 O ASN A 57 6.528 -53.640 -3.570 1.00 23.31 O ATOM 835 CB ASN A 57 8.192 -50.814 -3.545 1.00 64.31 C ATOM 836 CG ASN A 57 8.516 -49.558 -4.331 1.00 32.14 C ATOM 837 OD1 ASN A 57 7.664 -49.017 -5.036 1.00 62.43 O ATOM 838 ND2 ASN A 57 9.752 -49.088 -4.211 1.00 50.15 N ATOM 0 H ASN A 57 6.420 -51.803 -1.707 1.00 74.23 H new ATOM 0 HA ASN A 57 6.232 -50.559 -4.391 1.00 12.54 H new ATOM 0 HB2 ASN A 57 8.405 -50.644 -2.490 1.00 64.31 H new ATOM 0 HB3 ASN A 57 8.843 -51.624 -3.875 1.00 64.31 H new ATOM 0 HD21 ASN A 57 10.028 -48.245 -4.715 1.00 50.15 H new ATOM 0 HD22 ASN A 57 10.425 -49.570 -3.615 1.00 50.15 H new ATOM 962 N VAL A 66 7.787 -45.304 5.384 1.00 34.21 N ATOM 963 CA VAL A 66 7.971 -43.880 5.633 1.00 4.41 C ATOM 964 C VAL A 66 8.209 -43.607 7.114 1.00 2.21 C ATOM 965 O VAL A 66 7.378 -43.941 7.959 1.00 62.34 O ATOM 966 CB VAL A 66 6.752 -43.065 5.162 1.00 43.34 C ATOM 967 CG1 VAL A 66 6.933 -41.592 5.496 1.00 15.14 C ATOM 968 CG2 VAL A 66 6.528 -43.257 3.669 1.00 22.24 C ATOM 0 HA VAL A 66 8.847 -43.571 5.064 1.00 4.41 H new ATOM 0 HB VAL A 66 5.869 -43.427 5.689 1.00 43.34 H new ATOM 0 HG11 VAL A 66 6.062 -41.032 5.156 1.00 15.14 H new ATOM 0 HG12 VAL A 66 7.042 -41.474 6.574 1.00 15.14 H new ATOM 0 HG13 VAL A 66 7.825 -41.213 4.998 1.00 15.14 H new ATOM 0 HG21 VAL A 66 5.663 -42.674 3.353 1.00 22.24 H new ATOM 0 HG22 VAL A 66 7.410 -42.923 3.123 1.00 22.24 H new ATOM 0 HG23 VAL A 66 6.351 -44.312 3.460 1.00 22.24 H new ATOM 978 N ARG A 67 9.349 -42.997 7.422 1.00 1.21 N ATOM 979 CA ARG A 67 9.697 -42.679 8.802 1.00 61.32 C ATOM 980 C ARG A 67 8.976 -41.418 9.268 1.00 41.11 C ATOM 981 O ARG A 67 8.838 -40.454 8.513 1.00 32.23 O ATOM 982 CB ARG A 67 11.210 -42.495 8.939 1.00 34.53 C ATOM 983 CG ARG A 67 11.644 -42.035 10.321 1.00 30.02 C ATOM 984 CD ARG A 67 11.342 -43.085 11.379 1.00 64.33 C ATOM 985 NE ARG A 67 10.825 -42.491 12.608 1.00 21.04 N ATOM 986 CZ ARG A 67 10.824 -43.114 13.782 1.00 43.32 C ATOM 987 NH1 ARG A 67 11.311 -44.343 13.884 1.00 2.42 N ATOM 988 NH2 ARG A 67 10.336 -42.507 14.856 1.00 1.30 N ATOM 0 H ARG A 67 10.047 -42.713 6.735 1.00 1.21 H new ATOM 0 HA ARG A 67 9.380 -43.511 9.431 1.00 61.32 H new ATOM 0 HB2 ARG A 67 11.705 -43.438 8.707 1.00 34.53 H new ATOM 0 HB3 ARG A 67 11.548 -41.768 8.200 1.00 34.53 H new ATOM 0 HG2 ARG A 67 12.713 -41.820 10.315 1.00 30.02 H new ATOM 0 HG3 ARG A 67 11.133 -41.106 10.573 1.00 30.02 H new ATOM 0 HD2 ARG A 67 10.615 -43.796 10.987 1.00 64.33 H new ATOM 0 HD3 ARG A 67 12.249 -43.647 11.602 1.00 64.33 H new ATOM 0 HE ARG A 67 10.444 -41.546 12.563 1.00 21.04 H new ATOM 0 HH11 ARG A 67 11.688 -44.812 13.060 1.00 2.42 H new ATOM 0 HH12 ARG A 67 11.309 -44.819 14.786 1.00 2.42 H new ATOM 0 HH21 ARG A 67 9.961 -41.561 14.781 1.00 1.30 H new ATOM 0 HH22 ARG A 67 10.336 -42.986 15.757 1.00 1.30 H new ATOM 1002 N LEU A 68 8.518 -41.431 10.515 1.00 62.12 N ATOM 1003 CA LEU A 68 7.811 -40.288 11.082 1.00 34.42 C ATOM 1004 C LEU A 68 8.493 -39.803 12.357 1.00 64.40 C ATOM 1005 O LEU A 68 8.691 -40.571 13.299 1.00 64.45 O ATOM 1006 CB LEU A 68 6.357 -40.660 11.378 1.00 14.34 C ATOM 1007 CG LEU A 68 5.510 -39.576 12.046 1.00 54.31 C ATOM 1008 CD1 LEU A 68 5.722 -39.584 13.552 1.00 44.33 C ATOM 1009 CD2 LEU A 68 5.840 -38.208 11.466 1.00 21.10 C ATOM 0 H LEU A 68 8.624 -42.220 11.153 1.00 62.12 H new ATOM 0 HA LEU A 68 7.832 -39.480 10.351 1.00 34.42 H new ATOM 0 HB2 LEU A 68 5.877 -40.942 10.441 1.00 14.34 H new ATOM 0 HB3 LEU A 68 6.352 -41.543 12.017 1.00 14.34 H new ATOM 0 HG LEU A 68 4.460 -39.789 11.847 1.00 54.31 H new ATOM 0 HD11 LEU A 68 5.111 -38.806 14.010 1.00 44.33 H new ATOM 0 HD12 LEU A 68 5.434 -40.555 13.955 1.00 44.33 H new ATOM 0 HD13 LEU A 68 6.773 -39.397 13.772 1.00 44.33 H new ATOM 0 HD21 LEU A 68 5.228 -37.449 11.953 1.00 21.10 H new ATOM 0 HD22 LEU A 68 6.894 -37.986 11.633 1.00 21.10 H new ATOM 0 HD23 LEU A 68 5.635 -38.208 10.395 1.00 21.10 H new ATOM 1021 N VAL A 69 8.850 -38.523 12.381 1.00 13.10 N ATOM 1022 CA VAL A 69 9.507 -37.934 13.541 1.00 2.05 C ATOM 1023 C VAL A 69 9.025 -36.508 13.781 1.00 2.41 C ATOM 1024 O VAL A 69 9.184 -35.637 12.926 1.00 32.12 O ATOM 1025 CB VAL A 69 11.038 -37.926 13.375 1.00 43.42 C ATOM 1026 CG1 VAL A 69 11.428 -37.280 12.054 1.00 63.22 C ATOM 1027 CG2 VAL A 69 11.697 -37.208 14.543 1.00 1.02 C ATOM 0 H VAL A 69 8.695 -37.874 11.610 1.00 13.10 H new ATOM 0 HA VAL A 69 9.245 -38.552 14.400 1.00 2.05 H new ATOM 0 HB VAL A 69 11.390 -38.957 13.367 1.00 43.42 H new ATOM 0 HG11 VAL A 69 12.513 -37.283 11.954 1.00 63.22 H new ATOM 0 HG12 VAL A 69 10.986 -37.841 11.230 1.00 63.22 H new ATOM 0 HG13 VAL A 69 11.064 -36.253 12.030 1.00 63.22 H new ATOM 0 HG21 VAL A 69 12.779 -37.212 14.409 1.00 1.02 H new ATOM 0 HG22 VAL A 69 11.340 -36.179 14.585 1.00 1.02 H new ATOM 0 HG23 VAL A 69 11.445 -37.718 15.473 1.00 1.02 H new ATOM 1037 N GLU A 70 8.436 -36.276 14.950 1.00 24.33 N ATOM 1038 CA GLU A 70 7.931 -34.955 15.302 1.00 52.40 C ATOM 1039 C GLU A 70 6.800 -34.538 14.366 1.00 13.02 C ATOM 1040 O GLU A 70 6.565 -33.350 14.148 1.00 24.12 O ATOM 1041 CB GLU A 70 9.059 -33.922 15.248 1.00 14.21 C ATOM 1042 CG GLU A 70 10.328 -34.369 15.953 1.00 31.33 C ATOM 1043 CD GLU A 70 10.807 -33.366 16.985 1.00 74.50 C ATOM 1044 OE1 GLU A 70 10.672 -32.150 16.736 1.00 61.01 O ATOM 1045 OE2 GLU A 70 11.316 -33.797 18.041 1.00 73.45 O ATOM 0 H GLU A 70 8.297 -36.986 15.669 1.00 24.33 H new ATOM 0 HA GLU A 70 7.540 -35.003 16.318 1.00 52.40 H new ATOM 0 HB2 GLU A 70 9.290 -33.703 14.206 1.00 14.21 H new ATOM 0 HB3 GLU A 70 8.711 -32.993 15.699 1.00 14.21 H new ATOM 0 HG2 GLU A 70 10.150 -35.328 16.439 1.00 31.33 H new ATOM 0 HG3 GLU A 70 11.113 -34.527 15.214 1.00 31.33 H new ATOM 1052 N GLY A 71 6.101 -35.526 13.815 1.00 63.02 N ATOM 1053 CA GLY A 71 5.004 -35.243 12.908 1.00 11.24 C ATOM 1054 C GLY A 71 5.455 -35.144 11.465 1.00 61.04 C ATOM 1055 O GLY A 71 4.673 -35.387 10.545 1.00 11.41 O ATOM 0 H GLY A 71 6.275 -36.517 13.981 1.00 63.02 H new ATOM 0 HA2 GLY A 71 4.252 -36.027 12.997 1.00 11.24 H new ATOM 0 HA3 GLY A 71 4.527 -34.308 13.201 1.00 11.24 H new ATOM 1059 N ILE A 72 6.719 -34.786 11.265 1.00 52.54 N ATOM 1060 CA ILE A 72 7.272 -34.655 9.922 1.00 11.34 C ATOM 1061 C ILE A 72 7.631 -36.018 9.340 1.00 13.24 C ATOM 1062 O ILE A 72 8.445 -36.751 9.904 1.00 54.03 O ATOM 1063 CB ILE A 72 8.525 -33.760 9.915 1.00 43.22 C ATOM 1064 CG1 ILE A 72 8.185 -32.364 10.441 1.00 42.12 C ATOM 1065 CG2 ILE A 72 9.108 -33.676 8.512 1.00 54.33 C ATOM 1066 CD1 ILE A 72 8.942 -31.990 11.696 1.00 33.33 C ATOM 0 H ILE A 72 7.379 -34.582 12.015 1.00 52.54 H new ATOM 0 HA ILE A 72 6.501 -34.192 9.306 1.00 11.34 H new ATOM 0 HB ILE A 72 9.273 -34.203 10.573 1.00 43.22 H new ATOM 0 HG12 ILE A 72 8.400 -31.630 9.665 1.00 42.12 H new ATOM 0 HG13 ILE A 72 7.115 -32.311 10.642 1.00 42.12 H new ATOM 0 HG21 ILE A 72 9.993 -33.040 8.523 1.00 54.33 H new ATOM 0 HG22 ILE A 72 9.383 -34.674 8.172 1.00 54.33 H new ATOM 0 HG23 ILE A 72 8.366 -33.253 7.834 1.00 54.33 H new ATOM 0 HD11 ILE A 72 8.651 -30.988 12.012 1.00 33.33 H new ATOM 0 HD12 ILE A 72 8.708 -32.702 12.488 1.00 33.33 H new ATOM 0 HD13 ILE A 72 10.013 -32.010 11.494 1.00 33.33 H new ATOM 1078 N LEU A 73 7.020 -36.351 8.209 1.00 52.02 N ATOM 1079 CA LEU A 73 7.276 -37.626 7.548 1.00 72.01 C ATOM 1080 C LEU A 73 8.587 -37.583 6.770 1.00 2.51 C ATOM 1081 O LEU A 73 8.676 -36.952 5.716 1.00 15.00 O ATOM 1082 CB LEU A 73 6.122 -37.975 6.606 1.00 63.31 C ATOM 1083 CG LEU A 73 4.849 -38.501 7.270 1.00 41.32 C ATOM 1084 CD1 LEU A 73 5.154 -39.732 8.109 1.00 12.55 C ATOM 1085 CD2 LEU A 73 4.206 -37.417 8.123 1.00 40.23 C ATOM 0 H LEU A 73 6.344 -35.756 7.730 1.00 52.02 H new ATOM 0 HA LEU A 73 7.356 -38.395 8.316 1.00 72.01 H new ATOM 0 HB2 LEU A 73 5.867 -37.085 6.031 1.00 63.31 H new ATOM 0 HB3 LEU A 73 6.473 -38.723 5.895 1.00 63.31 H new ATOM 0 HG LEU A 73 4.145 -38.786 6.488 1.00 41.32 H new ATOM 0 HD11 LEU A 73 4.236 -40.092 8.574 1.00 12.55 H new ATOM 0 HD12 LEU A 73 5.569 -40.513 7.472 1.00 12.55 H new ATOM 0 HD13 LEU A 73 5.876 -39.474 8.884 1.00 12.55 H new ATOM 0 HD21 LEU A 73 3.301 -37.809 8.588 1.00 40.23 H new ATOM 0 HD22 LEU A 73 4.905 -37.101 8.898 1.00 40.23 H new ATOM 0 HD23 LEU A 73 3.951 -36.563 7.495 1.00 40.23 H new ATOM 1097 N HIS A 74 9.604 -38.259 7.296 1.00 52.41 N ATOM 1098 CA HIS A 74 10.911 -38.300 6.649 1.00 14.42 C ATOM 1099 C HIS A 74 10.913 -39.293 5.492 1.00 70.45 C ATOM 1100 O HIS A 74 10.193 -40.291 5.516 1.00 25.32 O ATOM 1101 CB HIS A 74 11.993 -38.676 7.662 1.00 54.11 C ATOM 1102 CG HIS A 74 13.171 -37.752 7.650 1.00 2.34 C ATOM 1103 ND1 HIS A 74 13.937 -37.522 6.527 1.00 75.04 N ATOM 1104 CD2 HIS A 74 13.713 -36.996 8.634 1.00 63.11 C ATOM 1105 CE1 HIS A 74 14.900 -36.667 6.820 1.00 55.52 C ATOM 1106 NE2 HIS A 74 14.786 -36.332 8.092 1.00 0.54 N ATOM 0 H HIS A 74 9.548 -38.785 8.168 1.00 52.41 H new ATOM 0 HA HIS A 74 11.125 -37.307 6.253 1.00 14.42 H new ATOM 0 HB2 HIS A 74 11.557 -38.683 8.661 1.00 54.11 H new ATOM 0 HB3 HIS A 74 12.335 -39.690 7.456 1.00 54.11 H new ATOM 0 HD2 HIS A 74 13.366 -36.928 9.655 1.00 63.11 H new ATOM 0 HE1 HIS A 74 15.652 -36.304 6.136 1.00 55.52 H new ATOM 0 HE2 HIS A 74 15.396 -35.685 8.591 1.00 0.54 H new ATOM 1114 N ALA A 75 11.726 -39.012 4.479 1.00 61.44 N ATOM 1115 CA ALA A 75 11.823 -39.882 3.313 1.00 53.03 C ATOM 1116 C ALA A 75 13.047 -40.787 3.403 1.00 73.02 C ATOM 1117 O ALA A 75 14.008 -40.502 4.117 1.00 44.23 O ATOM 1118 CB ALA A 75 11.870 -39.052 2.038 1.00 30.51 C ATOM 0 H ALA A 75 12.327 -38.189 4.442 1.00 61.44 H new ATOM 0 HA ALA A 75 10.937 -40.516 3.289 1.00 53.03 H new ATOM 0 HB1 ALA A 75 11.942 -39.714 1.175 1.00 30.51 H new ATOM 0 HB2 ALA A 75 10.963 -38.453 1.960 1.00 30.51 H new ATOM 0 HB3 ALA A 75 12.738 -38.394 2.064 1.00 30.51 H new ATOM 1124 N PRO A 76 13.012 -41.905 2.663 1.00 24.30 N ATOM 1125 CA PRO A 76 14.112 -42.875 2.643 1.00 75.11 C ATOM 1126 C PRO A 76 15.351 -42.332 1.941 1.00 43.31 C ATOM 1127 O PRO A 76 15.397 -41.162 1.558 1.00 23.44 O ATOM 1128 CB PRO A 76 13.529 -44.055 1.862 1.00 72.54 C ATOM 1129 CG PRO A 76 12.471 -43.455 1.002 1.00 72.13 C ATOM 1130 CD PRO A 76 11.898 -42.309 1.789 1.00 43.12 C ATOM 0 HA PRO A 76 14.446 -43.134 3.648 1.00 75.11 H new ATOM 0 HB2 PRO A 76 14.293 -44.549 1.262 1.00 72.54 H new ATOM 0 HB3 PRO A 76 13.114 -44.807 2.533 1.00 72.54 H new ATOM 0 HG2 PRO A 76 12.887 -43.109 0.056 1.00 72.13 H new ATOM 0 HG3 PRO A 76 11.701 -44.188 0.763 1.00 72.13 H new ATOM 0 HD2 PRO A 76 11.581 -41.494 1.139 1.00 43.12 H new ATOM 0 HD3 PRO A 76 11.025 -42.614 2.366 1.00 43.12 H new ATOM 1138 N ASP A 77 16.354 -43.187 1.775 1.00 71.25 N ATOM 1139 CA ASP A 77 17.594 -42.793 1.117 1.00 43.13 C ATOM 1140 C ASP A 77 17.422 -42.769 -0.399 1.00 12.12 C ATOM 1141 O ASP A 77 18.343 -42.413 -1.133 1.00 24.43 O ATOM 1142 CB ASP A 77 18.725 -43.749 1.499 1.00 63.04 C ATOM 1143 CG ASP A 77 19.360 -43.393 2.829 1.00 72.33 C ATOM 1144 OD1 ASP A 77 18.969 -42.363 3.416 1.00 15.15 O ATOM 1145 OD2 ASP A 77 20.247 -44.146 3.282 1.00 11.35 O ATOM 0 H ASP A 77 16.333 -44.158 2.087 1.00 71.25 H new ATOM 0 HA ASP A 77 17.850 -41.788 1.451 1.00 43.13 H new ATOM 0 HB2 ASP A 77 18.337 -44.766 1.546 1.00 63.04 H new ATOM 0 HB3 ASP A 77 19.488 -43.735 0.720 1.00 63.04 H new ATOM 1150 N ALA A 78 16.235 -43.151 -0.860 1.00 43.54 N ATOM 1151 CA ALA A 78 15.942 -43.172 -2.288 1.00 12.21 C ATOM 1152 C ALA A 78 14.966 -42.062 -2.664 1.00 72.23 C ATOM 1153 O ALA A 78 14.946 -41.600 -3.804 1.00 51.12 O ATOM 1154 CB ALA A 78 15.383 -44.528 -2.692 1.00 22.23 C ATOM 0 H ALA A 78 15.462 -43.450 -0.266 1.00 43.54 H new ATOM 0 HA ALA A 78 16.873 -43.000 -2.828 1.00 12.21 H new ATOM 0 HB1 ALA A 78 15.169 -44.529 -3.761 1.00 22.23 H new ATOM 0 HB2 ALA A 78 16.114 -45.305 -2.467 1.00 22.23 H new ATOM 0 HB3 ALA A 78 14.465 -44.723 -2.138 1.00 22.23 H new ATOM 1160 N GLY A 79 14.156 -41.639 -1.698 1.00 61.41 N ATOM 1161 CA GLY A 79 13.188 -40.588 -1.949 1.00 11.23 C ATOM 1162 C GLY A 79 11.758 -41.070 -1.805 1.00 0.24 C ATOM 1163 O GLY A 79 11.517 -42.247 -1.537 1.00 0.13 O ATOM 0 H GLY A 79 14.153 -42.006 -0.746 1.00 61.41 H new ATOM 0 HA2 GLY A 79 13.362 -39.765 -1.256 1.00 11.23 H new ATOM 0 HA3 GLY A 79 13.336 -40.195 -2.955 1.00 11.23 H new ATOM 1167 N TRP A 80 10.808 -40.159 -1.981 1.00 0.20 N ATOM 1168 CA TRP A 80 9.394 -40.498 -1.867 1.00 51.41 C ATOM 1169 C TRP A 80 8.979 -41.477 -2.959 1.00 62.24 C ATOM 1170 O TRP A 80 8.502 -42.574 -2.674 1.00 35.33 O ATOM 1171 CB TRP A 80 8.537 -39.233 -1.947 1.00 3.01 C ATOM 1172 CG TRP A 80 8.680 -38.343 -0.750 1.00 15.35 C ATOM 1173 CD1 TRP A 80 9.142 -37.058 -0.734 1.00 2.12 C ATOM 1174 CD2 TRP A 80 8.359 -38.672 0.606 1.00 34.33 C ATOM 1175 NE1 TRP A 80 9.128 -36.569 0.550 1.00 2.22 N ATOM 1176 CE2 TRP A 80 8.651 -37.539 1.391 1.00 70.42 C ATOM 1177 CE3 TRP A 80 7.851 -39.813 1.234 1.00 71.03 C ATOM 1178 CZ2 TRP A 80 8.453 -37.517 2.769 1.00 70.32 C ATOM 1179 CZ3 TRP A 80 7.655 -39.790 2.601 1.00 3.45 C ATOM 1180 CH2 TRP A 80 7.955 -38.648 3.357 1.00 71.12 C ATOM 0 H TRP A 80 10.991 -39.180 -2.203 1.00 0.20 H new ATOM 0 HA TRP A 80 9.237 -40.974 -0.899 1.00 51.41 H new ATOM 0 HB2 TRP A 80 8.810 -38.674 -2.842 1.00 3.01 H new ATOM 0 HB3 TRP A 80 7.491 -39.518 -2.056 1.00 3.01 H new ATOM 0 HD1 TRP A 80 9.470 -36.507 -1.603 1.00 2.12 H new ATOM 0 HE1 TRP A 80 9.425 -35.635 0.831 1.00 2.22 H new ATOM 0 HE3 TRP A 80 7.616 -40.697 0.660 1.00 71.03 H new ATOM 0 HZ2 TRP A 80 8.684 -36.639 3.353 1.00 70.32 H new ATOM 0 HZ3 TRP A 80 7.264 -40.667 3.096 1.00 3.45 H new ATOM 0 HH2 TRP A 80 7.790 -38.661 4.424 1.00 71.12 H new ATOM 1191 N GLY A 81 9.165 -41.073 -4.213 1.00 21.44 N ATOM 1192 CA GLY A 81 8.805 -41.928 -5.329 1.00 32.24 C ATOM 1193 C GLY A 81 7.344 -41.795 -5.713 1.00 24.44 C ATOM 1194 O GLY A 81 6.659 -40.878 -5.263 1.00 74.33 O ATOM 0 H GLY A 81 9.558 -40.169 -4.475 1.00 21.44 H new ATOM 0 HA2 GLY A 81 9.428 -41.680 -6.189 1.00 32.24 H new ATOM 0 HA3 GLY A 81 9.017 -42.966 -5.071 1.00 32.24 H new ATOM 1198 N ASN A 82 6.868 -42.713 -6.548 1.00 20.02 N ATOM 1199 CA ASN A 82 5.480 -42.693 -6.994 1.00 52.13 C ATOM 1200 C ASN A 82 4.801 -44.032 -6.721 1.00 11.44 C ATOM 1201 O ASN A 82 3.943 -44.473 -7.486 1.00 54.00 O ATOM 1202 CB ASN A 82 5.407 -42.367 -8.488 1.00 21.45 C ATOM 1203 CG ASN A 82 6.504 -41.417 -8.926 1.00 42.30 C ATOM 1204 OD1 ASN A 82 6.465 -40.192 -8.414 1.00 21.32 O flip ATOM 1205 ND2 ASN A 82 7.376 -41.779 -9.716 1.00 24.24 N flip ATOM 0 H ASN A 82 7.423 -43.479 -6.929 1.00 20.02 H new ATOM 0 HA ASN A 82 4.956 -41.919 -6.434 1.00 52.13 H new ATOM 0 HB2 ASN A 82 5.479 -43.290 -9.063 1.00 21.45 H new ATOM 0 HB3 ASN A 82 4.436 -41.926 -8.714 1.00 21.45 H new ATOM 0 HD21 ASN A 82 7.367 -42.730 -10.085 1.00 24.24 H new ATOM 0 HD22 ASN A 82 8.107 -41.128 -10.002 1.00 24.24 H new ATOM 1212 N LEU A 83 5.190 -44.673 -5.624 1.00 44.14 N ATOM 1213 CA LEU A 83 4.619 -45.961 -5.248 1.00 64.52 C ATOM 1214 C LEU A 83 3.402 -45.776 -4.347 1.00 45.35 C ATOM 1215 O LEU A 83 2.971 -44.651 -4.094 1.00 34.12 O ATOM 1216 CB LEU A 83 5.668 -46.818 -4.537 1.00 63.32 C ATOM 1217 CG LEU A 83 6.510 -46.107 -3.477 1.00 50.33 C ATOM 1218 CD1 LEU A 83 7.663 -45.357 -4.126 1.00 40.02 C ATOM 1219 CD2 LEU A 83 5.647 -45.157 -2.660 1.00 14.01 C ATOM 0 H LEU A 83 5.898 -44.322 -4.980 1.00 44.14 H new ATOM 0 HA LEU A 83 4.300 -46.468 -6.158 1.00 64.52 H new ATOM 0 HB2 LEU A 83 5.161 -47.660 -4.065 1.00 63.32 H new ATOM 0 HB3 LEU A 83 6.340 -47.232 -5.289 1.00 63.32 H new ATOM 0 HG LEU A 83 6.924 -46.859 -2.805 1.00 50.33 H new ATOM 0 HD11 LEU A 83 8.251 -44.857 -3.356 1.00 40.02 H new ATOM 0 HD12 LEU A 83 8.296 -46.060 -4.667 1.00 40.02 H new ATOM 0 HD13 LEU A 83 7.269 -44.615 -4.821 1.00 40.02 H new ATOM 0 HD21 LEU A 83 6.263 -44.660 -1.910 1.00 14.01 H new ATOM 0 HD22 LEU A 83 5.204 -44.410 -3.319 1.00 14.01 H new ATOM 0 HD23 LEU A 83 4.856 -45.719 -2.164 1.00 14.01 H new ATOM 1231 N VAL A 84 2.855 -46.887 -3.865 1.00 13.41 N ATOM 1232 CA VAL A 84 1.690 -46.846 -2.989 1.00 75.54 C ATOM 1233 C VAL A 84 2.103 -46.871 -1.522 1.00 44.03 C ATOM 1234 O VAL A 84 3.199 -47.320 -1.183 1.00 14.32 O ATOM 1235 CB VAL A 84 0.740 -48.028 -3.263 1.00 65.25 C ATOM 1236 CG1 VAL A 84 -0.604 -47.801 -2.589 1.00 23.53 C ATOM 1237 CG2 VAL A 84 0.567 -48.235 -4.761 1.00 34.25 C ATOM 0 H VAL A 84 3.199 -47.826 -4.066 1.00 13.41 H new ATOM 0 HA VAL A 84 1.168 -45.913 -3.201 1.00 75.54 H new ATOM 0 HB VAL A 84 1.181 -48.932 -2.843 1.00 65.25 H new ATOM 0 HG11 VAL A 84 -1.261 -48.646 -2.794 1.00 23.53 H new ATOM 0 HG12 VAL A 84 -0.460 -47.706 -1.513 1.00 23.53 H new ATOM 0 HG13 VAL A 84 -1.056 -46.888 -2.977 1.00 23.53 H new ATOM 0 HG21 VAL A 84 -0.107 -49.074 -4.937 1.00 34.25 H new ATOM 0 HG22 VAL A 84 0.148 -47.333 -5.207 1.00 34.25 H new ATOM 0 HG23 VAL A 84 1.536 -48.447 -5.213 1.00 34.25 H new ATOM 1247 N TYR A 85 1.221 -46.386 -0.656 1.00 74.32 N ATOM 1248 CA TYR A 85 1.495 -46.351 0.775 1.00 14.34 C ATOM 1249 C TYR A 85 0.319 -46.913 1.569 1.00 3.12 C ATOM 1250 O TYR A 85 -0.838 -46.763 1.178 1.00 71.25 O ATOM 1251 CB TYR A 85 1.789 -44.918 1.224 1.00 32.21 C ATOM 1252 CG TYR A 85 0.593 -44.214 1.826 1.00 64.55 C ATOM 1253 CD1 TYR A 85 -0.190 -43.358 1.061 1.00 32.43 C ATOM 1254 CD2 TYR A 85 0.248 -44.405 3.158 1.00 51.43 C ATOM 1255 CE1 TYR A 85 -1.283 -42.713 1.607 1.00 51.44 C ATOM 1256 CE2 TYR A 85 -0.844 -43.764 3.711 1.00 61.21 C ATOM 1257 CZ TYR A 85 -1.606 -42.919 2.932 1.00 71.15 C ATOM 1258 OH TYR A 85 -2.694 -42.278 3.479 1.00 24.22 O ATOM 0 H TYR A 85 0.310 -46.011 -0.920 1.00 74.32 H new ATOM 0 HA TYR A 85 2.370 -46.972 0.967 1.00 14.34 H new ATOM 0 HB2 TYR A 85 2.597 -44.934 1.956 1.00 32.21 H new ATOM 0 HB3 TYR A 85 2.145 -44.344 0.369 1.00 32.21 H new ATOM 0 HD1 TYR A 85 0.060 -43.194 0.023 1.00 32.43 H new ATOM 0 HD2 TYR A 85 0.843 -45.065 3.771 1.00 51.43 H new ATOM 0 HE1 TYR A 85 -1.882 -42.051 0.999 1.00 51.44 H new ATOM 0 HE2 TYR A 85 -1.099 -43.924 4.748 1.00 61.21 H new ATOM 0 HH TYR A 85 -2.944 -41.518 2.914 1.00 24.22 H new ATOM 1268 N VAL A 86 0.626 -47.561 2.689 1.00 52.22 N ATOM 1269 CA VAL A 86 -0.404 -48.145 3.540 1.00 4.34 C ATOM 1270 C VAL A 86 -0.552 -47.361 4.839 1.00 11.44 C ATOM 1271 O VAL A 86 0.388 -47.261 5.628 1.00 32.22 O ATOM 1272 CB VAL A 86 -0.088 -49.615 3.874 1.00 15.12 C ATOM 1273 CG1 VAL A 86 -1.184 -50.212 4.744 1.00 54.02 C ATOM 1274 CG2 VAL A 86 0.091 -50.424 2.598 1.00 2.34 C ATOM 0 H VAL A 86 1.579 -47.694 3.028 1.00 52.22 H new ATOM 0 HA VAL A 86 -1.340 -48.100 2.983 1.00 4.34 H new ATOM 0 HB VAL A 86 0.847 -49.650 4.434 1.00 15.12 H new ATOM 0 HG11 VAL A 86 -0.944 -51.251 4.970 1.00 54.02 H new ATOM 0 HG12 VAL A 86 -1.260 -49.647 5.673 1.00 54.02 H new ATOM 0 HG13 VAL A 86 -2.135 -50.167 4.213 1.00 54.02 H new ATOM 0 HG21 VAL A 86 0.314 -51.460 2.852 1.00 2.34 H new ATOM 0 HG22 VAL A 86 -0.826 -50.384 2.010 1.00 2.34 H new ATOM 0 HG23 VAL A 86 0.914 -50.008 2.016 1.00 2.34 H new ATOM 1284 N VAL A 87 -1.740 -46.805 5.056 1.00 11.13 N ATOM 1285 CA VAL A 87 -2.013 -46.030 6.261 1.00 72.30 C ATOM 1286 C VAL A 87 -1.788 -46.867 7.515 1.00 22.12 C ATOM 1287 O VAL A 87 -1.831 -48.096 7.470 1.00 52.30 O ATOM 1288 CB VAL A 87 -3.457 -45.494 6.268 1.00 41.42 C ATOM 1289 CG1 VAL A 87 -3.598 -44.329 5.300 1.00 13.30 C ATOM 1290 CG2 VAL A 87 -4.439 -46.604 5.926 1.00 52.20 C ATOM 0 H VAL A 87 -2.529 -46.877 4.413 1.00 11.13 H new ATOM 0 HA VAL A 87 -1.320 -45.188 6.260 1.00 72.30 H new ATOM 0 HB VAL A 87 -3.688 -45.133 7.270 1.00 41.42 H new ATOM 0 HG11 VAL A 87 -4.625 -43.963 5.318 1.00 13.30 H new ATOM 0 HG12 VAL A 87 -2.922 -43.527 5.595 1.00 13.30 H new ATOM 0 HG13 VAL A 87 -3.349 -44.661 4.292 1.00 13.30 H new ATOM 0 HG21 VAL A 87 -5.454 -46.207 5.936 1.00 52.20 H new ATOM 0 HG22 VAL A 87 -4.213 -46.998 4.935 1.00 52.20 H new ATOM 0 HG23 VAL A 87 -4.355 -47.404 6.662 1.00 52.20 H new ATOM 1300 N ASN A 88 -1.547 -46.192 8.635 1.00 72.42 N ATOM 1301 CA ASN A 88 -1.315 -46.874 9.903 1.00 43.00 C ATOM 1302 C ASN A 88 -1.884 -46.068 11.066 1.00 14.12 C ATOM 1303 O ASN A 88 -1.648 -44.865 11.176 1.00 4.43 O ATOM 1304 CB ASN A 88 0.183 -47.106 10.114 1.00 72.31 C ATOM 1305 CG ASN A 88 0.746 -48.148 9.166 1.00 54.41 C ATOM 1306 OD1 ASN A 88 0.095 -49.150 8.870 1.00 52.22 O ATOM 1307 ND2 ASN A 88 1.961 -47.914 8.685 1.00 22.31 N ATOM 0 H ASN A 88 -1.507 -45.174 8.690 1.00 72.42 H new ATOM 0 HA ASN A 88 -1.824 -47.837 9.868 1.00 43.00 H new ATOM 0 HB2 ASN A 88 0.717 -46.166 9.975 1.00 72.31 H new ATOM 0 HB3 ASN A 88 0.358 -47.422 11.142 1.00 72.31 H new ATOM 0 HD21 ASN A 88 2.392 -48.579 8.042 1.00 22.31 H new ATOM 0 HD22 ASN A 88 2.464 -47.070 8.958 1.00 22.31 H new