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 -108:sc= 1.31 USER MOD Single : A 24 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.4) USER MOD Single : A 32 SER OG : rot -49:sc= 1.25 USER MOD Single : A 37 THR OG1 : rot -86:sc= -0.604 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0626 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -39:sc= 1.22 USER MOD Single : A 46 GLN : amide:sc= -7.14! C(o=-7.1!,f=-12!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 18:sc= 0.525 USER MOD Single : A 57 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.1!) USER MOD Single : A 74 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-3.9!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.249 F(o=-1.5,f=-0.25) USER MOD Single : A 85 TYR OH : rot 159:sc= 1.86 USER MOD Single : A 88 ASN : amide:sc= -0.0451 K(o=-0.045,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 194 N GLU A 15 21.049 -33.722 3.977 1.00 31.15 N ATOM 195 CA GLU A 15 20.105 -33.052 3.091 1.00 13.11 C ATOM 196 C GLU A 15 18.820 -32.695 3.834 1.00 63.42 C ATOM 197 O GLU A 15 18.749 -32.800 5.059 1.00 41.04 O ATOM 198 CB GLU A 15 19.781 -33.941 1.888 1.00 4.42 C ATOM 199 CG GLU A 15 20.028 -33.266 0.549 1.00 0.13 C ATOM 200 CD GLU A 15 19.347 -33.984 -0.600 1.00 1.31 C ATOM 201 OE1 GLU A 15 18.928 -33.302 -1.559 1.00 33.31 O ATOM 202 OE2 GLU A 15 19.233 -35.226 -0.540 1.00 41.33 O ATOM 0 HA GLU A 15 20.569 -32.131 2.739 1.00 13.11 H new ATOM 0 HB2 GLU A 15 20.383 -34.848 1.945 1.00 4.42 H new ATOM 0 HB3 GLU A 15 18.736 -34.247 1.944 1.00 4.42 H new ATOM 0 HG2 GLU A 15 19.670 -32.237 0.593 1.00 0.13 H new ATOM 0 HG3 GLU A 15 21.101 -33.222 0.361 1.00 0.13 H new ATOM 209 N TYR A 16 17.808 -32.274 3.084 1.00 2.51 N ATOM 210 CA TYR A 16 16.527 -31.898 3.670 1.00 20.45 C ATOM 211 C TYR A 16 15.369 -32.496 2.877 1.00 11.30 C ATOM 212 O TYR A 16 15.577 -33.197 1.887 1.00 62.32 O ATOM 213 CB TYR A 16 16.393 -30.376 3.722 1.00 15.44 C ATOM 214 CG TYR A 16 16.944 -29.677 2.500 1.00 53.01 C ATOM 215 CD1 TYR A 16 18.167 -29.020 2.544 1.00 42.30 C ATOM 216 CD2 TYR A 16 16.241 -29.673 1.301 1.00 30.24 C ATOM 217 CE1 TYR A 16 18.675 -28.379 1.430 1.00 74.41 C ATOM 218 CE2 TYR A 16 16.741 -29.037 0.182 1.00 3.11 C ATOM 219 CZ TYR A 16 17.958 -28.391 0.251 1.00 22.33 C ATOM 220 OH TYR A 16 18.459 -27.755 -0.861 1.00 63.03 O ATOM 0 H TYR A 16 17.850 -32.184 2.069 1.00 2.51 H new ATOM 0 HA TYR A 16 16.491 -32.293 4.685 1.00 20.45 H new ATOM 0 HB2 TYR A 16 15.340 -30.116 3.835 1.00 15.44 H new ATOM 0 HB3 TYR A 16 16.910 -30.004 4.607 1.00 15.44 H new ATOM 0 HD1 TYR A 16 18.731 -29.010 3.465 1.00 42.30 H new ATOM 0 HD2 TYR A 16 15.287 -30.176 1.244 1.00 30.24 H new ATOM 0 HE1 TYR A 16 19.627 -27.872 1.482 1.00 74.41 H new ATOM 0 HE2 TYR A 16 16.182 -29.045 -0.742 1.00 3.11 H new ATOM 0 HH TYR A 16 17.832 -27.859 -1.607 1.00 63.03 H new ATOM 230 N ILE A 17 14.149 -32.211 3.319 1.00 33.43 N ATOM 231 CA ILE A 17 12.957 -32.718 2.650 1.00 31.35 C ATOM 232 C ILE A 17 12.050 -31.577 2.204 1.00 52.23 C ATOM 233 O ILE A 17 11.663 -30.727 3.006 1.00 20.34 O ATOM 234 CB ILE A 17 12.158 -33.666 3.565 1.00 43.02 C ATOM 235 CG1 ILE A 17 10.758 -33.899 2.995 1.00 35.31 C ATOM 236 CG2 ILE A 17 12.075 -33.098 4.974 1.00 41.55 C ATOM 237 CD1 ILE A 17 9.956 -34.927 3.763 1.00 24.20 C ATOM 0 H ILE A 17 13.960 -31.632 4.137 1.00 33.43 H new ATOM 0 HA ILE A 17 13.298 -33.272 1.775 1.00 31.35 H new ATOM 0 HB ILE A 17 12.675 -34.624 3.611 1.00 43.02 H new ATOM 0 HG12 ILE A 17 10.214 -32.954 2.992 1.00 35.31 H new ATOM 0 HG13 ILE A 17 10.846 -34.220 1.957 1.00 35.31 H new ATOM 0 HG21 ILE A 17 11.508 -33.779 5.608 1.00 41.55 H new ATOM 0 HG22 ILE A 17 13.080 -32.979 5.378 1.00 41.55 H new ATOM 0 HG23 ILE A 17 11.578 -32.129 4.947 1.00 41.55 H new ATOM 0 HD11 ILE A 17 8.975 -35.041 3.303 1.00 24.20 H new ATOM 0 HD12 ILE A 17 10.478 -35.884 3.745 1.00 24.20 H new ATOM 0 HD13 ILE A 17 9.837 -34.598 4.795 1.00 24.20 H new ATOM 249 N ARG A 18 11.713 -31.565 0.918 1.00 15.33 N ATOM 250 CA ARG A 18 10.850 -30.528 0.364 1.00 31.05 C ATOM 251 C ARG A 18 9.553 -31.128 -0.170 1.00 71.30 C ATOM 252 O ARG A 18 9.537 -31.757 -1.229 1.00 1.44 O ATOM 253 CB ARG A 18 11.574 -29.775 -0.753 1.00 24.12 C ATOM 254 CG ARG A 18 12.078 -28.403 -0.336 1.00 14.23 C ATOM 255 CD ARG A 18 11.674 -27.333 -1.338 1.00 53.01 C ATOM 256 NE ARG A 18 12.640 -27.210 -2.426 1.00 73.15 N ATOM 257 CZ ARG A 18 12.441 -26.460 -3.505 1.00 35.33 C ATOM 258 NH1 ARG A 18 11.316 -25.770 -3.638 1.00 5.24 N ATOM 259 NH2 ARG A 18 13.367 -26.400 -4.453 1.00 1.44 N ATOM 0 H ARG A 18 12.024 -32.261 0.241 1.00 15.33 H new ATOM 0 HA ARG A 18 10.605 -29.829 1.164 1.00 31.05 H new ATOM 0 HB2 ARG A 18 12.418 -30.374 -1.096 1.00 24.12 H new ATOM 0 HB3 ARG A 18 10.898 -29.662 -1.601 1.00 24.12 H new ATOM 0 HG2 ARG A 18 11.680 -28.151 0.647 1.00 14.23 H new ATOM 0 HG3 ARG A 18 13.164 -28.426 -0.244 1.00 14.23 H new ATOM 0 HD2 ARG A 18 10.693 -27.573 -1.749 1.00 53.01 H new ATOM 0 HD3 ARG A 18 11.580 -26.375 -0.827 1.00 53.01 H new ATOM 0 HE ARG A 18 13.516 -27.728 -2.354 1.00 73.15 H new ATOM 0 HH11 ARG A 18 10.602 -25.814 -2.911 1.00 5.24 H new ATOM 0 HH12 ARG A 18 11.165 -25.195 -4.467 1.00 5.24 H new ATOM 0 HH21 ARG A 18 14.233 -26.930 -4.354 1.00 1.44 H new ATOM 0 HH22 ARG A 18 13.213 -25.824 -5.281 1.00 1.44 H new ATOM 273 N VAL A 19 8.466 -30.931 0.570 1.00 43.32 N ATOM 274 CA VAL A 19 7.164 -31.452 0.171 1.00 44.45 C ATOM 275 C VAL A 19 6.038 -30.547 0.658 1.00 72.51 C ATOM 276 O VAL A 19 6.152 -29.899 1.699 1.00 62.23 O ATOM 277 CB VAL A 19 6.938 -32.874 0.715 1.00 20.42 C ATOM 278 CG1 VAL A 19 7.768 -33.883 -0.064 1.00 42.01 C ATOM 279 CG2 VAL A 19 7.266 -32.935 2.199 1.00 1.34 C ATOM 0 H VAL A 19 8.462 -30.414 1.449 1.00 43.32 H new ATOM 0 HA VAL A 19 7.155 -31.483 -0.919 1.00 44.45 H new ATOM 0 HB VAL A 19 5.886 -33.129 0.587 1.00 20.42 H new ATOM 0 HG11 VAL A 19 7.595 -34.882 0.335 1.00 42.01 H new ATOM 0 HG12 VAL A 19 7.480 -33.857 -1.115 1.00 42.01 H new ATOM 0 HG13 VAL A 19 8.825 -33.634 0.029 1.00 42.01 H new ATOM 0 HG21 VAL A 19 7.101 -33.948 2.567 1.00 1.34 H new ATOM 0 HG22 VAL A 19 8.309 -32.659 2.353 1.00 1.34 H new ATOM 0 HG23 VAL A 19 6.624 -32.242 2.742 1.00 1.34 H new ATOM 289 N THR A 20 4.947 -30.508 -0.101 1.00 61.44 N ATOM 290 CA THR A 20 3.799 -29.683 0.252 1.00 31.41 C ATOM 291 C THR A 20 2.561 -30.539 0.494 1.00 54.03 C ATOM 292 O THR A 20 2.406 -31.604 -0.103 1.00 14.02 O ATOM 293 CB THR A 20 3.489 -28.651 -0.848 1.00 51.03 C ATOM 294 OG1 THR A 20 2.149 -28.166 -0.702 1.00 64.51 O ATOM 295 CG2 THR A 20 3.664 -29.263 -2.230 1.00 22.33 C ATOM 0 H THR A 20 4.835 -31.039 -0.965 1.00 61.44 H new ATOM 0 HA THR A 20 4.059 -29.156 1.170 1.00 31.41 H new ATOM 0 HB THR A 20 4.189 -27.822 -0.744 1.00 51.03 H new ATOM 0 HG1 THR A 20 1.590 -28.529 -1.420 1.00 64.51 H new ATOM 0 HG21 THR A 20 3.439 -28.515 -2.990 1.00 22.33 H new ATOM 0 HG22 THR A 20 4.692 -29.604 -2.349 1.00 22.33 H new ATOM 0 HG23 THR A 20 2.986 -30.109 -2.342 1.00 22.33 H new ATOM 303 N GLU A 21 1.682 -30.065 1.371 1.00 33.44 N ATOM 304 CA GLU A 21 0.457 -30.789 1.691 1.00 54.10 C ATOM 305 C GLU A 21 -0.548 -30.689 0.547 1.00 72.21 C ATOM 306 O GLU A 21 -1.095 -31.696 0.097 1.00 31.43 O ATOM 307 CB GLU A 21 -0.164 -30.242 2.978 1.00 22.24 C ATOM 308 CG GLU A 21 -1.209 -31.161 3.588 1.00 22.24 C ATOM 309 CD GLU A 21 -2.547 -30.475 3.784 1.00 43.23 C ATOM 310 OE1 GLU A 21 -2.633 -29.581 4.652 1.00 71.10 O ATOM 311 OE2 GLU A 21 -3.507 -30.831 3.069 1.00 2.13 O ATOM 0 H GLU A 21 1.795 -29.184 1.872 1.00 33.44 H new ATOM 0 HA GLU A 21 0.713 -31.838 1.837 1.00 54.10 H new ATOM 0 HB2 GLU A 21 0.627 -30.070 3.708 1.00 22.24 H new ATOM 0 HB3 GLU A 21 -0.621 -29.275 2.768 1.00 22.24 H new ATOM 0 HG2 GLU A 21 -1.342 -32.031 2.945 1.00 22.24 H new ATOM 0 HG3 GLU A 21 -0.849 -31.527 4.549 1.00 22.24 H new ATOM 318 N ASP A 22 -0.786 -29.468 0.081 1.00 34.04 N ATOM 319 CA ASP A 22 -1.725 -29.235 -1.010 1.00 62.44 C ATOM 320 C ASP A 22 -0.985 -28.891 -2.299 1.00 44.10 C ATOM 321 O ASP A 22 0.094 -28.299 -2.267 1.00 32.22 O ATOM 322 CB ASP A 22 -2.694 -28.109 -0.647 1.00 44.03 C ATOM 323 CG ASP A 22 -3.959 -28.623 0.010 1.00 31.31 C ATOM 324 OD1 ASP A 22 -4.766 -29.277 -0.685 1.00 4.24 O ATOM 325 OD2 ASP A 22 -4.143 -28.373 1.220 1.00 62.05 O ATOM 0 H ASP A 22 -0.341 -28.624 0.442 1.00 34.04 H new ATOM 0 HA ASP A 22 -2.292 -30.152 -1.171 1.00 62.44 H new ATOM 0 HB2 ASP A 22 -2.198 -27.409 0.025 1.00 44.03 H new ATOM 0 HB3 ASP A 22 -2.956 -27.554 -1.548 1.00 44.03 H new ATOM 330 N GLU A 23 -1.571 -29.267 -3.431 1.00 54.52 N ATOM 331 CA GLU A 23 -0.966 -28.999 -4.730 1.00 44.53 C ATOM 332 C GLU A 23 -0.865 -27.497 -4.985 1.00 35.25 C ATOM 333 O GLU A 23 0.085 -27.025 -5.607 1.00 15.50 O ATOM 334 CB GLU A 23 -1.779 -29.662 -5.844 1.00 24.33 C ATOM 335 CG GLU A 23 -3.263 -29.344 -5.786 1.00 52.41 C ATOM 336 CD GLU A 23 -4.117 -30.578 -5.569 1.00 2.25 C ATOM 337 OE1 GLU A 23 -4.706 -31.072 -6.553 1.00 12.33 O ATOM 338 OE2 GLU A 23 -4.196 -31.049 -4.415 1.00 62.41 O ATOM 0 H GLU A 23 -2.464 -29.758 -3.475 1.00 54.52 H new ATOM 0 HA GLU A 23 0.040 -29.418 -4.725 1.00 44.53 H new ATOM 0 HB2 GLU A 23 -1.385 -29.343 -6.809 1.00 24.33 H new ATOM 0 HB3 GLU A 23 -1.645 -30.742 -5.786 1.00 24.33 H new ATOM 0 HG2 GLU A 23 -3.447 -28.633 -4.980 1.00 52.41 H new ATOM 0 HG3 GLU A 23 -3.563 -28.858 -6.714 1.00 52.41 H new ATOM 345 N ASN A 24 -1.854 -26.753 -4.498 1.00 62.42 N ATOM 346 CA ASN A 24 -1.878 -25.306 -4.673 1.00 53.33 C ATOM 347 C ASN A 24 -0.856 -24.630 -3.765 1.00 24.54 C ATOM 348 O ASN A 24 -0.349 -23.553 -4.077 1.00 3.24 O ATOM 349 CB ASN A 24 -3.277 -24.759 -4.380 1.00 71.30 C ATOM 350 CG ASN A 24 -3.682 -23.661 -5.344 1.00 14.11 C ATOM 351 OD1 ASN A 24 -2.836 -22.938 -5.870 1.00 12.44 O ATOM 352 ND2 ASN A 24 -4.983 -23.531 -5.580 1.00 22.32 N ATOM 0 H ASN A 24 -2.648 -27.129 -3.980 1.00 62.42 H new ATOM 0 HA ASN A 24 -1.618 -25.087 -5.709 1.00 53.33 H new ATOM 0 HB2 ASN A 24 -4.001 -25.572 -4.435 1.00 71.30 H new ATOM 0 HB3 ASN A 24 -3.307 -24.373 -3.361 1.00 71.30 H new ATOM 0 HD21 ASN A 24 -5.316 -22.809 -6.220 1.00 22.32 H new ATOM 0 HD22 ASN A 24 -5.649 -24.153 -5.122 1.00 22.32 H new ATOM 359 N ASP A 25 -0.557 -25.272 -2.640 1.00 41.23 N ATOM 360 CA ASP A 25 0.407 -24.735 -1.687 1.00 14.35 C ATOM 361 C ASP A 25 1.834 -24.935 -2.185 1.00 43.34 C ATOM 362 O ASP A 25 2.106 -25.843 -2.970 1.00 54.42 O ATOM 363 CB ASP A 25 0.232 -25.402 -0.322 1.00 31.44 C ATOM 364 CG ASP A 25 -0.944 -24.839 0.452 1.00 22.02 C ATOM 365 OD1 ASP A 25 -0.784 -24.569 1.661 1.00 32.13 O ATOM 366 OD2 ASP A 25 -2.023 -24.667 -0.151 1.00 72.13 O ATOM 0 H ASP A 25 -0.968 -26.164 -2.366 1.00 41.23 H new ATOM 0 HA ASP A 25 0.224 -23.665 -1.587 1.00 14.35 H new ATOM 0 HB2 ASP A 25 0.092 -26.474 -0.460 1.00 31.44 H new ATOM 0 HB3 ASP A 25 1.143 -25.272 0.262 1.00 31.44 H new ATOM 371 N GLU A 26 2.742 -24.080 -1.725 1.00 1.52 N ATOM 372 CA GLU A 26 4.141 -24.162 -2.127 1.00 24.14 C ATOM 373 C GLU A 26 4.866 -25.258 -1.351 1.00 24.03 C ATOM 374 O GLU A 26 4.493 -25.613 -0.233 1.00 11.05 O ATOM 375 CB GLU A 26 4.839 -22.818 -1.905 1.00 32.42 C ATOM 376 CG GLU A 26 4.383 -21.730 -2.862 1.00 73.55 C ATOM 377 CD GLU A 26 4.891 -20.357 -2.470 1.00 14.24 C ATOM 378 OE1 GLU A 26 4.186 -19.363 -2.746 1.00 64.12 O ATOM 379 OE2 GLU A 26 5.992 -20.275 -1.886 1.00 74.22 O ATOM 0 H GLU A 26 2.534 -23.323 -1.074 1.00 1.52 H new ATOM 0 HA GLU A 26 4.174 -24.409 -3.188 1.00 24.14 H new ATOM 0 HB2 GLU A 26 4.658 -22.489 -0.882 1.00 32.42 H new ATOM 0 HB3 GLU A 26 5.915 -22.955 -2.010 1.00 32.42 H new ATOM 0 HG2 GLU A 26 4.729 -21.968 -3.868 1.00 73.55 H new ATOM 0 HG3 GLU A 26 3.294 -21.714 -2.895 1.00 73.55 H new ATOM 386 N PRO A 27 5.928 -25.808 -1.958 1.00 25.34 N ATOM 387 CA PRO A 27 6.729 -26.872 -1.343 1.00 14.31 C ATOM 388 C PRO A 27 7.543 -26.371 -0.155 1.00 63.11 C ATOM 389 O PRO A 27 8.571 -25.714 -0.328 1.00 35.31 O ATOM 390 CB PRO A 27 7.655 -27.319 -2.476 1.00 50.14 C ATOM 391 CG PRO A 27 7.760 -26.132 -3.370 1.00 41.23 C ATOM 392 CD PRO A 27 6.430 -25.434 -3.290 1.00 64.25 C ATOM 0 HA PRO A 27 6.106 -27.672 -0.943 1.00 14.31 H new ATOM 0 HB2 PRO A 27 8.632 -27.615 -2.095 1.00 50.14 H new ATOM 0 HB3 PRO A 27 7.245 -28.179 -3.006 1.00 50.14 H new ATOM 0 HG2 PRO A 27 8.567 -25.473 -3.050 1.00 41.23 H new ATOM 0 HG3 PRO A 27 7.982 -26.433 -4.394 1.00 41.23 H new ATOM 0 HD2 PRO A 27 6.536 -24.354 -3.391 1.00 64.25 H new ATOM 0 HD3 PRO A 27 5.755 -25.763 -4.081 1.00 64.25 H new ATOM 400 N ILE A 28 7.079 -26.686 1.049 1.00 2.25 N ATOM 401 CA ILE A 28 7.767 -26.269 2.265 1.00 14.23 C ATOM 402 C ILE A 28 9.017 -27.108 2.505 1.00 30.03 C ATOM 403 O ILE A 28 8.972 -28.336 2.449 1.00 35.42 O ATOM 404 CB ILE A 28 6.847 -26.374 3.496 1.00 21.33 C ATOM 405 CG1 ILE A 28 7.621 -26.028 4.770 1.00 65.13 C ATOM 406 CG2 ILE A 28 6.252 -27.771 3.595 1.00 62.12 C ATOM 407 CD1 ILE A 28 8.239 -24.648 4.745 1.00 42.43 C ATOM 0 H ILE A 28 6.230 -27.228 1.209 1.00 2.25 H new ATOM 0 HA ILE A 28 8.054 -25.227 2.124 1.00 14.23 H new ATOM 0 HB ILE A 28 6.032 -25.660 3.383 1.00 21.33 H new ATOM 0 HG12 ILE A 28 6.949 -26.101 5.625 1.00 65.13 H new ATOM 0 HG13 ILE A 28 8.408 -26.767 4.919 1.00 65.13 H new ATOM 0 HG21 ILE A 28 5.604 -27.829 4.470 1.00 62.12 H new ATOM 0 HG22 ILE A 28 5.670 -27.983 2.698 1.00 62.12 H new ATOM 0 HG23 ILE A 28 7.055 -28.503 3.688 1.00 62.12 H new ATOM 0 HD11 ILE A 28 8.772 -24.471 5.679 1.00 42.43 H new ATOM 0 HD12 ILE A 28 8.937 -24.577 3.911 1.00 42.43 H new ATOM 0 HD13 ILE A 28 7.455 -23.900 4.627 1.00 42.43 H new ATOM 419 N GLU A 29 10.132 -26.436 2.775 1.00 52.35 N ATOM 420 CA GLU A 29 11.395 -27.121 3.024 1.00 14.43 C ATOM 421 C GLU A 29 11.655 -27.253 4.522 1.00 33.12 C ATOM 422 O GLU A 29 11.633 -26.265 5.256 1.00 1.42 O ATOM 423 CB GLU A 29 12.549 -26.367 2.360 1.00 71.52 C ATOM 424 CG GLU A 29 12.647 -24.911 2.780 1.00 42.40 C ATOM 425 CD GLU A 29 13.957 -24.591 3.475 1.00 54.24 C ATOM 426 OE1 GLU A 29 13.927 -24.298 4.688 1.00 25.55 O ATOM 427 OE2 GLU A 29 15.010 -24.632 2.805 1.00 33.40 O ATOM 0 H GLU A 29 10.186 -25.419 2.827 1.00 52.35 H new ATOM 0 HA GLU A 29 11.328 -28.120 2.594 1.00 14.43 H new ATOM 0 HB2 GLU A 29 13.486 -26.869 2.600 1.00 71.52 H new ATOM 0 HB3 GLU A 29 12.429 -26.417 1.278 1.00 71.52 H new ATOM 0 HG2 GLU A 29 12.542 -24.275 1.901 1.00 42.40 H new ATOM 0 HG3 GLU A 29 11.818 -24.673 3.447 1.00 42.40 H new ATOM 434 N ILE A 30 11.900 -28.481 4.968 1.00 54.42 N ATOM 435 CA ILE A 30 12.164 -28.743 6.377 1.00 42.40 C ATOM 436 C ILE A 30 13.457 -29.532 6.556 1.00 14.22 C ATOM 437 O ILE A 30 13.919 -30.228 5.652 1.00 53.22 O ATOM 438 CB ILE A 30 11.007 -29.519 7.032 1.00 33.03 C ATOM 439 CG1 ILE A 30 10.241 -30.322 5.978 1.00 2.25 C ATOM 440 CG2 ILE A 30 10.073 -28.563 7.760 1.00 72.43 C ATOM 441 CD1 ILE A 30 9.612 -31.586 6.521 1.00 1.12 C ATOM 0 H ILE A 30 11.921 -29.310 4.374 1.00 54.42 H new ATOM 0 HA ILE A 30 12.262 -27.774 6.865 1.00 42.40 H new ATOM 0 HB ILE A 30 11.422 -30.215 7.761 1.00 33.03 H new ATOM 0 HG12 ILE A 30 9.461 -29.693 5.550 1.00 2.25 H new ATOM 0 HG13 ILE A 30 10.921 -30.583 5.167 1.00 2.25 H new ATOM 0 HG21 ILE A 30 9.260 -29.127 8.218 1.00 72.43 H new ATOM 0 HG22 ILE A 30 10.627 -28.032 8.534 1.00 72.43 H new ATOM 0 HG23 ILE A 30 9.662 -27.845 7.050 1.00 72.43 H new ATOM 0 HD11 ILE A 30 9.086 -32.104 5.719 1.00 1.12 H new ATOM 0 HD12 ILE A 30 10.389 -32.235 6.924 1.00 1.12 H new ATOM 0 HD13 ILE A 30 8.907 -31.331 7.312 1.00 1.12 H new ATOM 453 N PRO A 31 14.055 -29.424 7.752 1.00 52.11 N ATOM 454 CA PRO A 31 15.301 -30.122 8.079 1.00 23.43 C ATOM 455 C PRO A 31 15.106 -31.630 8.204 1.00 52.53 C ATOM 456 O PRO A 31 14.082 -32.093 8.707 1.00 43.22 O ATOM 457 CB PRO A 31 15.700 -29.522 9.429 1.00 4.35 C ATOM 458 CG PRO A 31 14.420 -29.053 10.029 1.00 53.42 C ATOM 459 CD PRO A 31 13.560 -28.612 8.876 1.00 21.04 C ATOM 0 HA PRO A 31 16.054 -29.996 7.301 1.00 23.43 H new ATOM 0 HB2 PRO A 31 16.186 -30.263 10.063 1.00 4.35 H new ATOM 0 HB3 PRO A 31 16.403 -28.699 9.304 1.00 4.35 H new ATOM 0 HG2 PRO A 31 13.938 -29.851 10.593 1.00 53.42 H new ATOM 0 HG3 PRO A 31 14.593 -28.231 10.724 1.00 53.42 H new ATOM 0 HD2 PRO A 31 12.503 -28.795 9.070 1.00 21.04 H new ATOM 0 HD3 PRO A 31 13.668 -27.545 8.679 1.00 21.04 H new ATOM 467 N SER A 32 16.094 -32.390 7.743 1.00 52.13 N ATOM 468 CA SER A 32 16.028 -33.846 7.800 1.00 44.55 C ATOM 469 C SER A 32 17.289 -34.421 8.438 1.00 33.30 C ATOM 470 O SER A 32 18.358 -33.816 8.380 1.00 2.55 O ATOM 471 CB SER A 32 15.844 -34.424 6.395 1.00 25.13 C ATOM 472 OG SER A 32 17.096 -34.669 5.777 1.00 74.32 O ATOM 0 H SER A 32 16.949 -32.022 7.326 1.00 52.13 H new ATOM 0 HA SER A 32 15.171 -34.124 8.414 1.00 44.55 H new ATOM 0 HB2 SER A 32 15.275 -35.352 6.452 1.00 25.13 H new ATOM 0 HB3 SER A 32 15.264 -33.731 5.786 1.00 25.13 H new ATOM 0 HG SER A 32 17.667 -33.878 5.869 1.00 74.32 H new ATOM 478 N GLU A 33 17.153 -35.596 9.046 1.00 11.54 N ATOM 479 CA GLU A 33 18.280 -36.253 9.697 1.00 63.13 C ATOM 480 C GLU A 33 19.433 -36.453 8.717 1.00 73.14 C ATOM 481 O GLU A 33 19.240 -36.422 7.501 1.00 3.20 O ATOM 482 CB GLU A 33 17.848 -37.602 10.275 1.00 61.21 C ATOM 483 CG GLU A 33 18.518 -37.941 11.596 1.00 14.33 C ATOM 484 CD GLU A 33 18.817 -39.421 11.736 1.00 1.43 C ATOM 485 OE1 GLU A 33 17.957 -40.239 11.347 1.00 44.40 O ATOM 486 OE2 GLU A 33 19.910 -39.761 12.235 1.00 41.30 O ATOM 0 H GLU A 33 16.275 -36.111 9.101 1.00 11.54 H new ATOM 0 HA GLU A 33 18.623 -35.611 10.509 1.00 63.13 H new ATOM 0 HB2 GLU A 33 16.767 -37.598 10.416 1.00 61.21 H new ATOM 0 HB3 GLU A 33 18.072 -38.386 9.552 1.00 61.21 H new ATOM 0 HG2 GLU A 33 19.447 -37.377 11.683 1.00 14.33 H new ATOM 0 HG3 GLU A 33 17.874 -37.625 12.417 1.00 14.33 H new ATOM 493 N ASP A 34 20.630 -36.658 9.254 1.00 10.25 N ATOM 494 CA ASP A 34 21.814 -36.863 8.429 1.00 62.44 C ATOM 495 C ASP A 34 21.699 -38.155 7.625 1.00 32.12 C ATOM 496 O ASP A 34 22.162 -38.233 6.487 1.00 34.31 O ATOM 497 CB ASP A 34 23.070 -36.901 9.301 1.00 61.13 C ATOM 498 CG ASP A 34 24.339 -36.699 8.497 1.00 44.41 C ATOM 499 OD1 ASP A 34 24.890 -35.578 8.529 1.00 2.03 O ATOM 500 OD2 ASP A 34 24.783 -37.661 7.836 1.00 14.21 O ATOM 0 H ASP A 34 20.806 -36.687 10.258 1.00 10.25 H new ATOM 0 HA ASP A 34 21.890 -36.028 7.733 1.00 62.44 H new ATOM 0 HB2 ASP A 34 23.001 -36.128 10.066 1.00 61.13 H new ATOM 0 HB3 ASP A 34 23.120 -37.859 9.819 1.00 61.13 H new ATOM 505 N ASP A 35 21.080 -39.166 8.225 1.00 12.44 N ATOM 506 CA ASP A 35 20.903 -40.454 7.566 1.00 24.40 C ATOM 507 C ASP A 35 20.040 -40.312 6.316 1.00 1.24 C ATOM 508 O ASP A 35 20.058 -41.170 5.436 1.00 64.44 O ATOM 509 CB ASP A 35 20.269 -41.461 8.527 1.00 11.43 C ATOM 510 CG ASP A 35 20.976 -42.801 8.512 1.00 63.41 C ATOM 511 OD1 ASP A 35 21.752 -43.074 9.452 1.00 21.30 O ATOM 512 OD2 ASP A 35 20.753 -43.578 7.560 1.00 25.32 O ATOM 0 H ASP A 35 20.692 -39.118 9.167 1.00 12.44 H new ATOM 0 HA ASP A 35 21.886 -40.818 7.267 1.00 24.40 H new ATOM 0 HB2 ASP A 35 20.288 -41.055 9.538 1.00 11.43 H new ATOM 0 HB3 ASP A 35 19.222 -41.603 8.260 1.00 11.43 H new ATOM 517 N GLY A 36 19.283 -39.221 6.247 1.00 10.14 N ATOM 518 CA GLY A 36 18.422 -38.986 5.103 1.00 63.43 C ATOM 519 C GLY A 36 16.956 -38.927 5.482 1.00 20.33 C ATOM 520 O GLY A 36 16.167 -38.233 4.840 1.00 44.11 O ATOM 0 H GLY A 36 19.251 -38.496 6.963 1.00 10.14 H new ATOM 0 HA2 GLY A 36 18.708 -38.050 4.624 1.00 63.43 H new ATOM 0 HA3 GLY A 36 18.573 -39.779 4.370 1.00 63.43 H new ATOM 524 N THR A 37 16.587 -39.659 6.529 1.00 22.21 N ATOM 525 CA THR A 37 15.205 -39.690 6.992 1.00 45.34 C ATOM 526 C THR A 37 14.799 -38.352 7.599 1.00 5.14 C ATOM 527 O THR A 37 15.538 -37.370 7.514 1.00 34.43 O ATOM 528 CB THR A 37 14.987 -40.802 8.034 1.00 15.05 C ATOM 529 OG1 THR A 37 15.670 -40.475 9.250 1.00 72.52 O ATOM 530 CG2 THR A 37 15.485 -42.141 7.511 1.00 55.54 C ATOM 0 H THR A 37 17.227 -40.239 7.072 1.00 22.21 H new ATOM 0 HA THR A 37 14.583 -39.893 6.120 1.00 45.34 H new ATOM 0 HB THR A 37 13.917 -40.882 8.228 1.00 15.05 H new ATOM 0 HG1 THR A 37 16.601 -40.776 9.194 1.00 72.52 H new ATOM 0 HG21 THR A 37 15.320 -42.910 8.265 1.00 55.54 H new ATOM 0 HG22 THR A 37 14.942 -42.401 6.602 1.00 55.54 H new ATOM 0 HG23 THR A 37 16.550 -42.072 7.290 1.00 55.54 H new ATOM 538 N VAL A 38 13.621 -38.320 8.214 1.00 41.52 N ATOM 539 CA VAL A 38 13.118 -37.102 8.838 1.00 53.21 C ATOM 540 C VAL A 38 12.465 -37.403 10.182 1.00 11.23 C ATOM 541 O VAL A 38 11.671 -38.337 10.304 1.00 12.52 O ATOM 542 CB VAL A 38 12.097 -36.388 7.932 1.00 13.23 C ATOM 543 CG1 VAL A 38 11.411 -35.259 8.687 1.00 42.22 C ATOM 544 CG2 VAL A 38 12.775 -35.865 6.675 1.00 74.12 C ATOM 0 H VAL A 38 12.997 -39.123 8.293 1.00 41.52 H new ATOM 0 HA VAL A 38 13.976 -36.447 8.992 1.00 53.21 H new ATOM 0 HB VAL A 38 11.336 -37.109 7.633 1.00 13.23 H new ATOM 0 HG11 VAL A 38 10.693 -34.766 8.031 1.00 42.22 H new ATOM 0 HG12 VAL A 38 10.891 -35.665 9.554 1.00 42.22 H new ATOM 0 HG13 VAL A 38 12.157 -34.536 9.017 1.00 42.22 H new ATOM 0 HG21 VAL A 38 12.039 -35.364 6.046 1.00 74.12 H new ATOM 0 HG22 VAL A 38 13.558 -35.159 6.951 1.00 74.12 H new ATOM 0 HG23 VAL A 38 13.214 -36.697 6.125 1.00 74.12 H new ATOM 554 N LEU A 39 12.804 -36.606 11.190 1.00 71.12 N ATOM 555 CA LEU A 39 12.250 -36.786 12.527 1.00 22.24 C ATOM 556 C LEU A 39 10.769 -36.424 12.557 1.00 51.50 C ATOM 557 O LEU A 39 10.367 -35.368 12.065 1.00 62.21 O ATOM 558 CB LEU A 39 13.017 -35.931 13.537 1.00 13.35 C ATOM 559 CG LEU A 39 14.482 -36.307 13.761 1.00 32.21 C ATOM 560 CD1 LEU A 39 15.147 -35.322 14.709 1.00 5.20 C ATOM 561 CD2 LEU A 39 14.591 -37.726 14.300 1.00 4.04 C ATOM 0 H LEU A 39 13.460 -35.829 11.106 1.00 71.12 H new ATOM 0 HA LEU A 39 12.353 -37.837 12.797 1.00 22.24 H new ATOM 0 HB2 LEU A 39 12.976 -34.892 13.209 1.00 13.35 H new ATOM 0 HB3 LEU A 39 12.499 -35.984 14.495 1.00 13.35 H new ATOM 0 HG LEU A 39 15.000 -36.263 12.803 1.00 32.21 H new ATOM 0 HD11 LEU A 39 16.189 -35.606 14.856 1.00 5.20 H new ATOM 0 HD12 LEU A 39 15.101 -34.320 14.283 1.00 5.20 H new ATOM 0 HD13 LEU A 39 14.629 -35.333 15.668 1.00 5.20 H new ATOM 0 HD21 LEU A 39 15.640 -37.977 14.454 1.00 4.04 H new ATOM 0 HD22 LEU A 39 14.058 -37.797 15.248 1.00 4.04 H new ATOM 0 HD23 LEU A 39 14.152 -38.422 13.585 1.00 4.04 H new ATOM 573 N LEU A 40 9.961 -37.303 13.139 1.00 63.44 N ATOM 574 CA LEU A 40 8.524 -37.075 13.235 1.00 33.20 C ATOM 575 C LEU A 40 8.229 -35.687 13.793 1.00 10.33 C ATOM 576 O LEU A 40 7.269 -35.034 13.385 1.00 14.32 O ATOM 577 CB LEU A 40 7.876 -38.141 14.121 1.00 65.43 C ATOM 578 CG LEU A 40 6.472 -38.589 13.715 1.00 53.41 C ATOM 579 CD1 LEU A 40 5.930 -39.610 14.703 1.00 2.45 C ATOM 580 CD2 LEU A 40 5.538 -37.391 13.617 1.00 1.13 C ATOM 0 H LEU A 40 10.277 -38.181 13.552 1.00 63.44 H new ATOM 0 HA LEU A 40 8.103 -37.140 12.232 1.00 33.20 H new ATOM 0 HB2 LEU A 40 8.525 -39.017 14.135 1.00 65.43 H new ATOM 0 HB3 LEU A 40 7.833 -37.760 15.141 1.00 65.43 H new ATOM 0 HG LEU A 40 6.531 -39.060 12.734 1.00 53.41 H new ATOM 0 HD11 LEU A 40 4.930 -39.917 14.397 1.00 2.45 H new ATOM 0 HD12 LEU A 40 6.586 -40.480 14.724 1.00 2.45 H new ATOM 0 HD13 LEU A 40 5.885 -39.166 15.697 1.00 2.45 H new ATOM 0 HD21 LEU A 40 4.543 -37.728 13.327 1.00 1.13 H new ATOM 0 HD22 LEU A 40 5.484 -36.891 14.584 1.00 1.13 H new ATOM 0 HD23 LEU A 40 5.917 -36.694 12.869 1.00 1.13 H new ATOM 592 N SER A 41 9.063 -35.241 14.727 1.00 11.33 N ATOM 593 CA SER A 41 8.891 -33.930 15.343 1.00 50.02 C ATOM 594 C SER A 41 8.818 -32.837 14.281 1.00 13.32 C ATOM 595 O SER A 41 8.078 -31.862 14.426 1.00 65.34 O ATOM 596 CB SER A 41 10.042 -33.642 16.309 1.00 35.02 C ATOM 597 OG SER A 41 10.540 -34.840 16.880 1.00 42.54 O ATOM 0 H SER A 41 9.864 -35.768 15.074 1.00 11.33 H new ATOM 0 HA SER A 41 7.953 -33.937 15.898 1.00 50.02 H new ATOM 0 HB2 SER A 41 10.844 -33.126 15.781 1.00 35.02 H new ATOM 0 HB3 SER A 41 9.699 -32.974 17.099 1.00 35.02 H new ATOM 0 HG SER A 41 11.276 -34.629 17.492 1.00 42.54 H new ATOM 603 N THR A 42 9.591 -33.005 13.213 1.00 73.23 N ATOM 604 CA THR A 42 9.616 -32.034 12.127 1.00 53.34 C ATOM 605 C THR A 42 8.333 -32.095 11.305 1.00 41.40 C ATOM 606 O THR A 42 7.736 -31.065 10.991 1.00 35.11 O ATOM 607 CB THR A 42 10.820 -32.264 11.195 1.00 43.13 C ATOM 608 OG1 THR A 42 12.042 -32.120 11.928 1.00 33.53 O ATOM 609 CG2 THR A 42 10.802 -31.281 10.034 1.00 71.13 C ATOM 0 H THR A 42 10.209 -33.805 13.077 1.00 73.23 H new ATOM 0 HA THR A 42 9.704 -31.049 12.586 1.00 53.34 H new ATOM 0 HB THR A 42 10.753 -33.276 10.795 1.00 43.13 H new ATOM 0 HG1 THR A 42 12.803 -32.270 11.328 1.00 33.53 H new ATOM 0 HG21 THR A 42 11.662 -31.463 9.390 1.00 71.13 H new ATOM 0 HG22 THR A 42 9.885 -31.412 9.460 1.00 71.13 H new ATOM 0 HG23 THR A 42 10.846 -30.262 10.419 1.00 71.13 H new ATOM 617 N VAL A 43 7.914 -33.308 10.959 1.00 1.15 N ATOM 618 CA VAL A 43 6.700 -33.503 10.175 1.00 25.03 C ATOM 619 C VAL A 43 5.514 -32.789 10.813 1.00 73.04 C ATOM 620 O VAL A 43 4.642 -32.266 10.117 1.00 4.20 O ATOM 621 CB VAL A 43 6.365 -34.999 10.024 1.00 53.54 C ATOM 622 CG1 VAL A 43 4.881 -35.187 9.744 1.00 24.32 C ATOM 623 CG2 VAL A 43 7.207 -35.624 8.922 1.00 31.21 C ATOM 0 H VAL A 43 8.397 -34.171 11.209 1.00 1.15 H new ATOM 0 HA VAL A 43 6.887 -33.079 9.189 1.00 25.03 H new ATOM 0 HB VAL A 43 6.601 -35.504 10.961 1.00 53.54 H new ATOM 0 HG11 VAL A 43 4.662 -36.250 9.640 1.00 24.32 H new ATOM 0 HG12 VAL A 43 4.300 -34.776 10.570 1.00 24.32 H new ATOM 0 HG13 VAL A 43 4.616 -34.670 8.821 1.00 24.32 H new ATOM 0 HG21 VAL A 43 6.958 -36.681 8.829 1.00 31.21 H new ATOM 0 HG22 VAL A 43 7.004 -35.119 7.978 1.00 31.21 H new ATOM 0 HG23 VAL A 43 8.264 -35.521 9.169 1.00 31.21 H new ATOM 633 N THR A 44 5.485 -32.770 12.142 1.00 63.34 N ATOM 634 CA THR A 44 4.405 -32.121 12.874 1.00 63.11 C ATOM 635 C THR A 44 4.538 -30.603 12.818 1.00 30.54 C ATOM 636 O THR A 44 3.550 -29.880 12.936 1.00 14.01 O ATOM 637 CB THR A 44 4.377 -32.569 14.347 1.00 21.04 C ATOM 638 OG1 THR A 44 5.528 -32.066 15.034 1.00 24.15 O ATOM 639 CG2 THR A 44 4.341 -34.086 14.451 1.00 31.32 C ATOM 0 H THR A 44 6.198 -33.197 12.733 1.00 63.34 H new ATOM 0 HA THR A 44 3.473 -32.419 12.394 1.00 63.11 H new ATOM 0 HB THR A 44 3.475 -32.168 14.808 1.00 21.04 H new ATOM 0 HG1 THR A 44 6.310 -32.123 14.447 1.00 24.15 H new ATOM 0 HG21 THR A 44 4.322 -34.378 15.501 1.00 31.32 H new ATOM 0 HG22 THR A 44 3.448 -34.464 13.953 1.00 31.32 H new ATOM 0 HG23 THR A 44 5.227 -34.505 13.974 1.00 31.32 H new ATOM 647 N ALA A 45 5.766 -30.128 12.638 1.00 54.33 N ATOM 648 CA ALA A 45 6.027 -28.696 12.564 1.00 54.53 C ATOM 649 C ALA A 45 5.062 -28.011 11.602 1.00 15.40 C ATOM 650 O ALA A 45 4.467 -26.985 11.932 1.00 34.10 O ATOM 651 CB ALA A 45 7.466 -28.443 12.140 1.00 52.54 C ATOM 0 H ALA A 45 6.595 -30.714 12.541 1.00 54.33 H new ATOM 0 HA ALA A 45 5.872 -28.272 13.556 1.00 54.53 H new ATOM 0 HB1 ALA A 45 7.647 -27.369 12.089 1.00 52.54 H new ATOM 0 HB2 ALA A 45 8.144 -28.891 12.867 1.00 52.54 H new ATOM 0 HB3 ALA A 45 7.640 -28.887 11.160 1.00 52.54 H new ATOM 657 N GLN A 46 4.912 -28.584 10.412 1.00 4.13 N ATOM 658 CA GLN A 46 4.020 -28.027 9.403 1.00 41.43 C ATOM 659 C GLN A 46 2.775 -28.892 9.239 1.00 12.24 C ATOM 660 O GLN A 46 1.685 -28.385 8.973 1.00 71.15 O ATOM 661 CB GLN A 46 4.747 -27.900 8.063 1.00 62.42 C ATOM 662 CG GLN A 46 6.253 -27.748 8.200 1.00 44.00 C ATOM 663 CD GLN A 46 6.997 -29.042 7.936 1.00 64.20 C ATOM 664 OE1 GLN A 46 7.552 -29.651 8.852 1.00 52.15 O ATOM 665 NE2 GLN A 46 7.013 -29.470 6.679 1.00 24.31 N ATOM 0 H GLN A 46 5.397 -29.434 10.123 1.00 4.13 H new ATOM 0 HA GLN A 46 3.710 -27.036 9.736 1.00 41.43 H new ATOM 0 HB2 GLN A 46 4.533 -28.781 7.458 1.00 62.42 H new ATOM 0 HB3 GLN A 46 4.351 -27.039 7.524 1.00 62.42 H new ATOM 0 HG2 GLN A 46 6.602 -26.985 7.505 1.00 44.00 H new ATOM 0 HG3 GLN A 46 6.489 -27.396 9.204 1.00 44.00 H new ATOM 0 HE21 GLN A 46 6.540 -28.934 5.952 1.00 24.31 H new ATOM 0 HE22 GLN A 46 7.498 -30.335 6.441 1.00 24.31 H new ATOM 674 N PHE A 47 2.944 -30.200 9.401 1.00 11.10 N ATOM 675 CA PHE A 47 1.834 -31.136 9.270 1.00 34.21 C ATOM 676 C PHE A 47 1.508 -31.784 10.613 1.00 74.35 C ATOM 677 O PHE A 47 1.828 -32.946 10.864 1.00 62.11 O ATOM 678 CB PHE A 47 2.168 -32.215 8.238 1.00 74.21 C ATOM 679 CG PHE A 47 3.100 -31.744 7.159 1.00 71.14 C ATOM 680 CD1 PHE A 47 4.265 -32.439 6.880 1.00 65.35 C ATOM 681 CD2 PHE A 47 2.811 -30.606 6.424 1.00 40.35 C ATOM 682 CE1 PHE A 47 5.125 -32.009 5.887 1.00 45.22 C ATOM 683 CE2 PHE A 47 3.667 -30.171 5.429 1.00 11.44 C ATOM 684 CZ PHE A 47 4.826 -30.872 5.161 1.00 21.35 C ATOM 0 H PHE A 47 3.839 -30.636 9.623 1.00 11.10 H new ATOM 0 HA PHE A 47 0.960 -30.579 8.933 1.00 34.21 H new ATOM 0 HB2 PHE A 47 2.617 -33.068 8.748 1.00 74.21 H new ATOM 0 HB3 PHE A 47 1.244 -32.567 7.780 1.00 74.21 H new ATOM 0 HD1 PHE A 47 4.504 -33.328 7.445 1.00 65.35 H new ATOM 0 HD2 PHE A 47 1.907 -30.052 6.630 1.00 40.35 H new ATOM 0 HE1 PHE A 47 6.030 -32.561 5.679 1.00 45.22 H new ATOM 0 HE2 PHE A 47 3.429 -29.283 4.862 1.00 11.44 H new ATOM 0 HZ PHE A 47 5.497 -30.532 4.386 1.00 21.35 H new ATOM 694 N PRO A 48 0.855 -31.016 11.497 1.00 52.30 N ATOM 695 CA PRO A 48 0.471 -31.493 12.829 1.00 53.12 C ATOM 696 C PRO A 48 -0.637 -32.539 12.772 1.00 31.24 C ATOM 697 O PRO A 48 -1.672 -32.328 12.142 1.00 32.00 O ATOM 698 CB PRO A 48 -0.025 -30.226 13.530 1.00 34.01 C ATOM 699 CG PRO A 48 -0.470 -29.331 12.425 1.00 1.23 C ATOM 700 CD PRO A 48 0.441 -29.622 11.265 1.00 50.32 C ATOM 0 HA PRO A 48 1.299 -31.983 13.341 1.00 53.12 H new ATOM 0 HB2 PRO A 48 -0.844 -30.447 14.214 1.00 34.01 H new ATOM 0 HB3 PRO A 48 0.767 -29.764 14.119 1.00 34.01 H new ATOM 0 HG2 PRO A 48 -1.510 -29.523 12.162 1.00 1.23 H new ATOM 0 HG3 PRO A 48 -0.404 -28.284 12.720 1.00 1.23 H new ATOM 0 HD2 PRO A 48 -0.075 -29.509 10.311 1.00 50.32 H new ATOM 0 HD3 PRO A 48 1.296 -28.947 11.247 1.00 50.32 H new ATOM 708 N GLY A 49 -0.412 -33.669 13.437 1.00 74.04 N ATOM 709 CA GLY A 49 -1.401 -34.731 13.449 1.00 31.32 C ATOM 710 C GLY A 49 -1.169 -35.752 12.353 1.00 74.11 C ATOM 711 O GLY A 49 -1.549 -36.915 12.488 1.00 51.21 O ATOM 0 H GLY A 49 0.437 -33.867 13.967 1.00 74.04 H new ATOM 0 HA2 GLY A 49 -1.381 -35.231 14.417 1.00 31.32 H new ATOM 0 HA3 GLY A 49 -2.395 -34.299 13.334 1.00 31.32 H new ATOM 715 N ALA A 50 -0.546 -35.317 11.263 1.00 4.52 N ATOM 716 CA ALA A 50 -0.264 -36.201 10.139 1.00 3.04 C ATOM 717 C ALA A 50 0.415 -37.484 10.607 1.00 13.02 C ATOM 718 O ALA A 50 1.480 -37.445 11.224 1.00 10.41 O ATOM 719 CB ALA A 50 0.602 -35.488 9.111 1.00 24.32 C ATOM 0 H ALA A 50 -0.227 -34.357 11.134 1.00 4.52 H new ATOM 0 HA ALA A 50 -1.212 -36.471 9.674 1.00 3.04 H new ATOM 0 HB1 ALA A 50 0.805 -36.160 8.277 1.00 24.32 H new ATOM 0 HB2 ALA A 50 0.080 -34.604 8.746 1.00 24.32 H new ATOM 0 HB3 ALA A 50 1.543 -35.189 9.573 1.00 24.32 H new ATOM 725 N CYS A 51 -0.208 -38.619 10.311 1.00 54.01 N ATOM 726 CA CYS A 51 0.335 -39.915 10.703 1.00 41.40 C ATOM 727 C CYS A 51 1.265 -40.462 9.626 1.00 64.43 C ATOM 728 O CYS A 51 2.268 -41.108 9.927 1.00 62.42 O ATOM 729 CB CYS A 51 -0.798 -40.907 10.968 1.00 1.05 C ATOM 730 SG CYS A 51 -1.071 -41.264 12.720 1.00 72.12 S ATOM 0 H CYS A 51 -1.090 -38.668 9.801 1.00 54.01 H new ATOM 0 HA CYS A 51 0.910 -39.779 11.619 1.00 41.40 H new ATOM 0 HB2 CYS A 51 -1.720 -40.512 10.541 1.00 1.05 H new ATOM 0 HB3 CYS A 51 -0.579 -41.840 10.448 1.00 1.05 H new ATOM 0 HG CYS A 51 -2.050 -42.111 12.843 1.00 72.12 H new ATOM 736 N GLY A 52 0.924 -40.201 8.367 1.00 4.24 N ATOM 737 CA GLY A 52 1.738 -40.676 7.264 1.00 23.50 C ATOM 738 C GLY A 52 1.660 -39.769 6.052 1.00 10.15 C ATOM 739 O GLY A 52 0.644 -39.110 5.825 1.00 23.05 O ATOM 0 H GLY A 52 0.098 -39.669 8.092 1.00 4.24 H new ATOM 0 HA2 GLY A 52 2.775 -40.754 7.589 1.00 23.50 H new ATOM 0 HA3 GLY A 52 1.416 -41.679 6.984 1.00 23.50 H new ATOM 743 N LEU A 53 2.735 -39.732 5.273 1.00 73.14 N ATOM 744 CA LEU A 53 2.785 -38.897 4.078 1.00 53.33 C ATOM 745 C LEU A 53 2.888 -39.752 2.819 1.00 22.21 C ATOM 746 O LEU A 53 3.551 -40.790 2.815 1.00 41.44 O ATOM 747 CB LEU A 53 3.972 -37.935 4.153 1.00 15.42 C ATOM 748 CG LEU A 53 4.159 -37.203 5.483 1.00 22.50 C ATOM 749 CD1 LEU A 53 2.812 -36.823 6.078 1.00 62.40 C ATOM 750 CD2 LEU A 53 4.951 -38.063 6.457 1.00 22.33 C ATOM 0 H LEU A 53 3.584 -40.270 5.447 1.00 73.14 H new ATOM 0 HA LEU A 53 1.861 -38.321 4.029 1.00 53.33 H new ATOM 0 HB2 LEU A 53 4.882 -38.495 3.938 1.00 15.42 H new ATOM 0 HB3 LEU A 53 3.862 -37.191 3.364 1.00 15.42 H new ATOM 0 HG LEU A 53 4.721 -36.288 5.296 1.00 22.50 H new ATOM 0 HD11 LEU A 53 2.966 -36.303 7.024 1.00 62.40 H new ATOM 0 HD12 LEU A 53 2.280 -36.169 5.387 1.00 62.40 H new ATOM 0 HD13 LEU A 53 2.223 -37.724 6.251 1.00 62.40 H new ATOM 0 HD21 LEU A 53 5.075 -37.527 7.398 1.00 22.33 H new ATOM 0 HD22 LEU A 53 4.415 -38.995 6.638 1.00 22.33 H new ATOM 0 HD23 LEU A 53 5.931 -38.284 6.034 1.00 22.33 H new ATOM 762 N ARG A 54 2.230 -39.309 1.753 1.00 44.12 N ATOM 763 CA ARG A 54 2.249 -40.033 0.488 1.00 63.43 C ATOM 764 C ARG A 54 3.125 -39.317 -0.536 1.00 24.21 C ATOM 765 O ARG A 54 3.518 -38.167 -0.336 1.00 21.51 O ATOM 766 CB ARG A 54 0.829 -40.186 -0.059 1.00 15.54 C ATOM 767 CG ARG A 54 0.530 -41.574 -0.601 1.00 41.54 C ATOM 768 CD ARG A 54 0.060 -41.517 -2.047 1.00 23.44 C ATOM 769 NE ARG A 54 -0.894 -42.579 -2.354 1.00 32.25 N ATOM 770 CZ ARG A 54 -0.547 -43.847 -2.542 1.00 71.43 C ATOM 771 NH1 ARG A 54 0.725 -44.210 -2.456 1.00 2.14 N ATOM 772 NH2 ARG A 54 -1.474 -44.756 -2.818 1.00 61.20 N ATOM 0 H ARG A 54 1.677 -38.452 1.740 1.00 44.12 H new ATOM 0 HA ARG A 54 2.669 -41.022 0.672 1.00 63.43 H new ATOM 0 HB2 ARG A 54 0.117 -39.954 0.733 1.00 15.54 H new ATOM 0 HB3 ARG A 54 0.674 -39.455 -0.852 1.00 15.54 H new ATOM 0 HG2 ARG A 54 1.424 -42.193 -0.532 1.00 41.54 H new ATOM 0 HG3 ARG A 54 -0.235 -42.049 0.013 1.00 41.54 H new ATOM 0 HD2 ARG A 54 -0.401 -40.548 -2.241 1.00 23.44 H new ATOM 0 HD3 ARG A 54 0.920 -41.599 -2.711 1.00 23.44 H new ATOM 0 HE ARG A 54 -1.881 -42.333 -2.428 1.00 32.25 H new ATOM 0 HH11 ARG A 54 1.441 -43.515 -2.245 1.00 2.14 H new ATOM 0 HH12 ARG A 54 0.988 -45.185 -2.601 1.00 2.14 H new ATOM 0 HH21 ARG A 54 -2.454 -44.481 -2.886 1.00 61.20 H new ATOM 0 HH22 ARG A 54 -1.207 -45.730 -2.962 1.00 61.20 H new ATOM 786 N TYR A 55 3.428 -40.004 -1.632 1.00 22.45 N ATOM 787 CA TYR A 55 4.260 -39.435 -2.685 1.00 62.41 C ATOM 788 C TYR A 55 3.417 -39.050 -3.897 1.00 20.21 C ATOM 789 O TYR A 55 2.634 -39.854 -4.404 1.00 25.35 O ATOM 790 CB TYR A 55 5.345 -40.430 -3.100 1.00 62.43 C ATOM 791 CG TYR A 55 6.749 -39.952 -2.807 1.00 64.24 C ATOM 792 CD1 TYR A 55 7.259 -38.814 -3.421 1.00 32.30 C ATOM 793 CD2 TYR A 55 7.567 -40.639 -1.918 1.00 51.51 C ATOM 794 CE1 TYR A 55 8.541 -38.374 -3.157 1.00 44.10 C ATOM 795 CE2 TYR A 55 8.850 -40.205 -1.647 1.00 1.40 C ATOM 796 CZ TYR A 55 9.333 -39.072 -2.269 1.00 32.10 C ATOM 797 OH TYR A 55 10.611 -38.638 -2.003 1.00 0.53 O ATOM 0 H TYR A 55 3.110 -40.956 -1.814 1.00 22.45 H new ATOM 0 HA TYR A 55 4.733 -38.534 -2.293 1.00 62.41 H new ATOM 0 HB2 TYR A 55 5.177 -41.375 -2.583 1.00 62.43 H new ATOM 0 HB3 TYR A 55 5.254 -40.630 -4.168 1.00 62.43 H new ATOM 0 HD1 TYR A 55 6.642 -38.264 -4.116 1.00 32.30 H new ATOM 0 HD2 TYR A 55 7.193 -41.527 -1.431 1.00 51.51 H new ATOM 0 HE1 TYR A 55 8.922 -37.488 -3.643 1.00 44.10 H new ATOM 0 HE2 TYR A 55 9.472 -40.750 -0.952 1.00 1.40 H new ATOM 0 HH TYR A 55 10.701 -37.701 -2.274 1.00 0.53 H new ATOM 807 N ARG A 56 3.583 -37.814 -4.357 1.00 24.45 N ATOM 808 CA ARG A 56 2.838 -37.321 -5.508 1.00 42.22 C ATOM 809 C ARG A 56 3.780 -36.720 -6.548 1.00 75.01 C ATOM 810 O ARG A 56 4.217 -35.578 -6.417 1.00 40.31 O ATOM 811 CB ARG A 56 1.812 -36.275 -5.068 1.00 43.45 C ATOM 812 CG ARG A 56 1.326 -35.385 -6.201 1.00 0.12 C ATOM 813 CD ARG A 56 0.814 -36.206 -7.374 1.00 22.11 C ATOM 814 NE ARG A 56 0.504 -35.372 -8.532 1.00 12.01 N ATOM 815 CZ ARG A 56 -0.328 -35.739 -9.500 1.00 15.20 C ATOM 816 NH1 ARG A 56 -0.931 -36.919 -9.449 1.00 42.11 N ATOM 817 NH2 ARG A 56 -0.560 -34.924 -10.522 1.00 31.35 N ATOM 0 H ARG A 56 4.227 -37.136 -3.950 1.00 24.45 H new ATOM 0 HA ARG A 56 2.316 -38.164 -5.960 1.00 42.22 H new ATOM 0 HB2 ARG A 56 0.956 -36.782 -4.623 1.00 43.45 H new ATOM 0 HB3 ARG A 56 2.252 -35.651 -4.290 1.00 43.45 H new ATOM 0 HG2 ARG A 56 0.532 -34.733 -5.838 1.00 0.12 H new ATOM 0 HG3 ARG A 56 2.140 -34.741 -6.534 1.00 0.12 H new ATOM 0 HD2 ARG A 56 1.563 -36.948 -7.652 1.00 22.11 H new ATOM 0 HD3 ARG A 56 -0.079 -36.753 -7.071 1.00 22.11 H new ATOM 0 HE ARG A 56 0.951 -34.458 -8.601 1.00 12.01 H new ATOM 0 HH11 ARG A 56 -0.756 -37.548 -8.665 1.00 42.11 H new ATOM 0 HH12 ARG A 56 -1.569 -37.198 -10.194 1.00 42.11 H new ATOM 0 HH21 ARG A 56 -0.099 -34.015 -10.564 1.00 31.35 H new ATOM 0 HH22 ARG A 56 -1.199 -35.207 -11.265 1.00 31.35 H new ATOM 831 N ASN A 57 4.087 -37.499 -7.580 1.00 50.34 N ATOM 832 CA ASN A 57 4.977 -37.044 -8.642 1.00 43.12 C ATOM 833 C ASN A 57 4.240 -36.971 -9.976 1.00 42.40 C ATOM 834 O ASN A 57 3.469 -37.860 -10.337 1.00 64.03 O ATOM 835 CB ASN A 57 6.181 -37.980 -8.763 1.00 22.51 C ATOM 836 CG ASN A 57 7.332 -37.562 -7.868 1.00 15.41 C ATOM 837 OD1 ASN A 57 7.406 -37.962 -6.706 1.00 42.11 O ATOM 838 ND2 ASN A 57 8.235 -36.751 -8.406 1.00 63.35 N ATOM 0 H ASN A 57 3.733 -38.448 -7.703 1.00 50.34 H new ATOM 0 HA ASN A 57 5.327 -36.044 -8.385 1.00 43.12 H new ATOM 0 HB2 ASN A 57 5.876 -38.995 -8.507 1.00 22.51 H new ATOM 0 HB3 ASN A 57 6.519 -38.000 -9.799 1.00 22.51 H new ATOM 0 HD21 ASN A 57 9.031 -36.434 -7.852 1.00 63.35 H new ATOM 0 HD22 ASN A 57 8.133 -36.445 -9.374 1.00 63.35 H new ATOM 962 N VAL A 66 6.240 -42.063 0.957 1.00 43.22 N ATOM 963 CA VAL A 66 7.143 -41.856 2.083 1.00 42.12 C ATOM 964 C VAL A 66 6.953 -42.933 3.145 1.00 51.21 C ATOM 965 O VAL A 66 5.872 -43.070 3.718 1.00 72.04 O ATOM 966 CB VAL A 66 6.930 -40.473 2.726 1.00 43.30 C ATOM 967 CG1 VAL A 66 7.863 -40.287 3.913 1.00 13.53 C ATOM 968 CG2 VAL A 66 7.136 -39.370 1.698 1.00 30.31 C ATOM 0 HA VAL A 66 8.158 -41.913 1.690 1.00 42.12 H new ATOM 0 HB VAL A 66 5.904 -40.414 3.088 1.00 43.30 H new ATOM 0 HG11 VAL A 66 7.698 -39.304 4.355 1.00 13.53 H new ATOM 0 HG12 VAL A 66 7.663 -41.058 4.657 1.00 13.53 H new ATOM 0 HG13 VAL A 66 8.897 -40.366 3.579 1.00 13.53 H new ATOM 0 HG21 VAL A 66 6.982 -38.400 2.170 1.00 30.31 H new ATOM 0 HG22 VAL A 66 8.151 -39.425 1.304 1.00 30.31 H new ATOM 0 HG23 VAL A 66 6.423 -39.495 0.883 1.00 30.31 H new ATOM 978 N ARG A 67 8.011 -43.695 3.403 1.00 12.44 N ATOM 979 CA ARG A 67 7.960 -44.761 4.397 1.00 43.42 C ATOM 980 C ARG A 67 8.089 -44.195 5.808 1.00 22.01 C ATOM 981 O ARG A 67 8.863 -43.267 6.048 1.00 14.14 O ATOM 982 CB ARG A 67 9.073 -45.779 4.140 1.00 13.13 C ATOM 983 CG ARG A 67 9.183 -46.845 5.218 1.00 3.44 C ATOM 984 CD ARG A 67 7.942 -47.722 5.264 1.00 40.11 C ATOM 985 NE ARG A 67 7.545 -48.038 6.633 1.00 25.54 N ATOM 986 CZ ARG A 67 6.619 -48.940 6.941 1.00 44.15 C ATOM 987 NH1 ARG A 67 5.998 -49.611 5.980 1.00 1.43 N ATOM 988 NH2 ARG A 67 6.313 -49.172 8.211 1.00 64.24 N ATOM 0 H ARG A 67 8.913 -43.594 2.938 1.00 12.44 H new ATOM 0 HA ARG A 67 6.994 -45.259 4.311 1.00 43.42 H new ATOM 0 HB2 ARG A 67 8.897 -46.263 3.179 1.00 13.13 H new ATOM 0 HB3 ARG A 67 10.024 -45.253 4.062 1.00 13.13 H new ATOM 0 HG2 ARG A 67 10.060 -47.464 5.031 1.00 3.44 H new ATOM 0 HG3 ARG A 67 9.330 -46.369 6.188 1.00 3.44 H new ATOM 0 HD2 ARG A 67 7.121 -47.215 4.756 1.00 40.11 H new ATOM 0 HD3 ARG A 67 8.131 -48.647 4.719 1.00 40.11 H new ATOM 0 HE ARG A 67 8.004 -47.539 7.395 1.00 25.54 H new ATOM 0 HH11 ARG A 67 6.231 -49.435 5.003 1.00 1.43 H new ATOM 0 HH12 ARG A 67 5.288 -50.303 6.218 1.00 1.43 H new ATOM 0 HH21 ARG A 67 6.789 -48.658 8.952 1.00 64.24 H new ATOM 0 HH22 ARG A 67 5.602 -49.865 8.446 1.00 64.24 H new ATOM 1002 N LEU A 68 7.327 -44.760 6.738 1.00 52.31 N ATOM 1003 CA LEU A 68 7.355 -44.312 8.126 1.00 0.11 C ATOM 1004 C LEU A 68 7.731 -45.458 9.060 1.00 15.33 C ATOM 1005 O LEU A 68 7.118 -46.525 9.028 1.00 20.12 O ATOM 1006 CB LEU A 68 5.994 -43.738 8.525 1.00 23.32 C ATOM 1007 CG LEU A 68 5.859 -43.280 9.978 1.00 41.23 C ATOM 1008 CD1 LEU A 68 5.544 -44.460 10.883 1.00 23.41 C ATOM 1009 CD2 LEU A 68 7.129 -42.578 10.436 1.00 42.12 C ATOM 0 H LEU A 68 6.682 -45.529 6.556 1.00 52.31 H new ATOM 0 HA LEU A 68 8.111 -43.532 8.216 1.00 0.11 H new ATOM 0 HB2 LEU A 68 5.775 -42.890 7.876 1.00 23.32 H new ATOM 0 HB3 LEU A 68 5.232 -44.493 8.331 1.00 23.32 H new ATOM 0 HG LEU A 68 5.033 -42.571 10.040 1.00 41.23 H new ATOM 0 HD11 LEU A 68 5.452 -44.114 11.913 1.00 23.41 H new ATOM 0 HD12 LEU A 68 4.607 -44.919 10.569 1.00 23.41 H new ATOM 0 HD13 LEU A 68 6.347 -45.194 10.817 1.00 23.41 H new ATOM 0 HD21 LEU A 68 7.015 -42.259 11.472 1.00 42.12 H new ATOM 0 HD22 LEU A 68 7.972 -43.264 10.358 1.00 42.12 H new ATOM 0 HD23 LEU A 68 7.311 -41.707 9.806 1.00 42.12 H new ATOM 1021 N VAL A 69 8.740 -45.228 9.894 1.00 63.12 N ATOM 1022 CA VAL A 69 9.196 -46.240 10.840 1.00 14.30 C ATOM 1023 C VAL A 69 9.625 -45.605 12.158 1.00 30.42 C ATOM 1024 O VAL A 69 10.588 -44.841 12.205 1.00 24.44 O ATOM 1025 CB VAL A 69 10.371 -47.055 10.268 1.00 12.42 C ATOM 1026 CG1 VAL A 69 11.468 -46.129 9.765 1.00 1.14 C ATOM 1027 CG2 VAL A 69 10.911 -48.016 11.316 1.00 65.13 C ATOM 0 H VAL A 69 9.257 -44.350 9.934 1.00 63.12 H new ATOM 0 HA VAL A 69 8.354 -46.909 11.019 1.00 14.30 H new ATOM 0 HB VAL A 69 10.008 -47.641 9.423 1.00 12.42 H new ATOM 0 HG11 VAL A 69 12.290 -46.722 9.365 1.00 1.14 H new ATOM 0 HG12 VAL A 69 11.070 -45.485 8.981 1.00 1.14 H new ATOM 0 HG13 VAL A 69 11.832 -45.515 10.589 1.00 1.14 H new ATOM 0 HG21 VAL A 69 11.741 -48.584 10.896 1.00 65.13 H new ATOM 0 HG22 VAL A 69 11.259 -47.452 12.182 1.00 65.13 H new ATOM 0 HG23 VAL A 69 10.121 -48.701 11.623 1.00 65.13 H new ATOM 1037 N GLU A 70 8.903 -45.928 13.227 1.00 63.41 N ATOM 1038 CA GLU A 70 9.210 -45.389 14.547 1.00 62.35 C ATOM 1039 C GLU A 70 9.021 -43.875 14.573 1.00 22.31 C ATOM 1040 O GLU A 70 9.666 -43.172 15.350 1.00 50.24 O ATOM 1041 CB GLU A 70 10.645 -45.742 14.945 1.00 32.20 C ATOM 1042 CG GLU A 70 11.012 -47.192 14.677 1.00 73.11 C ATOM 1043 CD GLU A 70 11.622 -47.873 15.887 1.00 40.22 C ATOM 1044 OE1 GLU A 70 12.636 -47.361 16.406 1.00 10.31 O ATOM 1045 OE2 GLU A 70 11.087 -48.917 16.314 1.00 54.31 O ATOM 0 H GLU A 70 8.102 -46.560 13.205 1.00 63.41 H new ATOM 0 HA GLU A 70 8.521 -45.836 15.264 1.00 62.35 H new ATOM 0 HB2 GLU A 70 11.333 -45.095 14.401 1.00 32.20 H new ATOM 0 HB3 GLU A 70 10.781 -45.532 16.006 1.00 32.20 H new ATOM 0 HG2 GLU A 70 10.120 -47.738 14.369 1.00 73.11 H new ATOM 0 HG3 GLU A 70 11.716 -47.237 13.846 1.00 73.11 H new ATOM 1052 N GLY A 71 8.132 -43.381 13.718 1.00 53.45 N ATOM 1053 CA GLY A 71 7.874 -41.954 13.658 1.00 14.30 C ATOM 1054 C GLY A 71 8.782 -41.241 12.676 1.00 54.23 C ATOM 1055 O GLY A 71 8.425 -40.190 12.141 1.00 23.30 O ATOM 0 H GLY A 71 7.585 -43.943 13.066 1.00 53.45 H new ATOM 0 HA2 GLY A 71 6.835 -41.788 13.374 1.00 14.30 H new ATOM 0 HA3 GLY A 71 8.006 -41.522 14.650 1.00 14.30 H new ATOM 1059 N ILE A 72 9.958 -41.811 12.439 1.00 70.24 N ATOM 1060 CA ILE A 72 10.919 -41.223 11.514 1.00 4.45 C ATOM 1061 C ILE A 72 10.546 -41.524 10.067 1.00 24.40 C ATOM 1062 O ILE A 72 10.514 -42.684 9.651 1.00 12.54 O ATOM 1063 CB ILE A 72 12.346 -41.737 11.783 1.00 10.01 C ATOM 1064 CG1 ILE A 72 12.782 -41.376 13.205 1.00 64.24 C ATOM 1065 CG2 ILE A 72 13.317 -41.162 10.763 1.00 2.20 C ATOM 1066 CD1 ILE A 72 13.110 -42.580 14.060 1.00 70.11 C ATOM 0 H ILE A 72 10.269 -42.679 12.875 1.00 70.24 H new ATOM 0 HA ILE A 72 10.893 -40.145 11.676 1.00 4.45 H new ATOM 0 HB ILE A 72 12.350 -42.823 11.687 1.00 10.01 H new ATOM 0 HG12 ILE A 72 13.656 -40.727 13.155 1.00 64.24 H new ATOM 0 HG13 ILE A 72 11.988 -40.804 13.686 1.00 64.24 H new ATOM 0 HG21 ILE A 72 14.321 -41.534 10.966 1.00 2.20 H new ATOM 0 HG22 ILE A 72 13.014 -41.465 9.761 1.00 2.20 H new ATOM 0 HG23 ILE A 72 13.313 -40.074 10.830 1.00 2.20 H new ATOM 0 HD11 ILE A 72 13.411 -42.249 15.054 1.00 70.11 H new ATOM 0 HD12 ILE A 72 12.231 -43.219 14.141 1.00 70.11 H new ATOM 0 HD13 ILE A 72 13.925 -43.141 13.602 1.00 70.11 H new ATOM 1078 N LEU A 73 10.267 -40.474 9.303 1.00 61.53 N ATOM 1079 CA LEU A 73 9.898 -40.626 7.900 1.00 60.15 C ATOM 1080 C LEU A 73 11.123 -40.935 7.045 1.00 72.53 C ATOM 1081 O LEU A 73 11.991 -40.083 6.854 1.00 62.41 O ATOM 1082 CB LEU A 73 9.215 -39.355 7.391 1.00 20.22 C ATOM 1083 CG LEU A 73 7.765 -39.150 7.832 1.00 4.04 C ATOM 1084 CD1 LEU A 73 6.908 -40.336 7.418 1.00 42.23 C ATOM 1085 CD2 LEU A 73 7.691 -38.936 9.337 1.00 21.22 C ATOM 0 H LEU A 73 10.289 -39.508 9.631 1.00 61.53 H new ATOM 0 HA LEU A 73 9.202 -41.462 7.822 1.00 60.15 H new ATOM 0 HB2 LEU A 73 9.799 -38.496 7.721 1.00 20.22 H new ATOM 0 HB3 LEU A 73 9.245 -39.362 6.301 1.00 20.22 H new ATOM 0 HG LEU A 73 7.378 -38.259 7.338 1.00 4.04 H new ATOM 0 HD11 LEU A 73 5.880 -40.172 7.740 1.00 42.23 H new ATOM 0 HD12 LEU A 73 6.936 -40.444 6.334 1.00 42.23 H new ATOM 0 HD13 LEU A 73 7.294 -41.243 7.883 1.00 42.23 H new ATOM 0 HD21 LEU A 73 6.652 -38.792 9.633 1.00 21.22 H new ATOM 0 HD22 LEU A 73 8.097 -39.809 9.849 1.00 21.22 H new ATOM 0 HD23 LEU A 73 8.271 -38.054 9.608 1.00 21.22 H new ATOM 1097 N HIS A 74 11.185 -42.160 6.530 1.00 2.41 N ATOM 1098 CA HIS A 74 12.303 -42.581 5.693 1.00 55.25 C ATOM 1099 C HIS A 74 12.105 -42.120 4.251 1.00 31.44 C ATOM 1100 O HIS A 74 10.976 -42.013 3.773 1.00 1.13 O ATOM 1101 CB HIS A 74 12.457 -44.101 5.738 1.00 74.31 C ATOM 1102 CG HIS A 74 13.857 -44.553 6.015 1.00 22.44 C ATOM 1103 ND1 HIS A 74 14.933 -44.195 5.231 1.00 1.31 N ATOM 1104 CD2 HIS A 74 14.356 -45.338 6.999 1.00 74.40 C ATOM 1105 CE1 HIS A 74 16.032 -44.741 5.719 1.00 5.12 C ATOM 1106 NE2 HIS A 74 15.709 -45.440 6.792 1.00 4.35 N ATOM 0 H HIS A 74 10.475 -42.877 6.678 1.00 2.41 H new ATOM 0 HA HIS A 74 13.211 -42.120 6.082 1.00 55.25 H new ATOM 0 HB2 HIS A 74 11.796 -44.502 6.506 1.00 74.31 H new ATOM 0 HB3 HIS A 74 12.131 -44.519 4.786 1.00 74.31 H new ATOM 0 HD2 HIS A 74 13.794 -45.798 7.798 1.00 74.40 H new ATOM 0 HE1 HIS A 74 17.026 -44.634 5.310 1.00 5.12 H new ATOM 0 HE2 HIS A 74 16.359 -45.970 7.373 1.00 4.35 H new ATOM 1114 N ALA A 75 13.210 -41.849 3.565 1.00 23.41 N ATOM 1115 CA ALA A 75 13.158 -41.402 2.179 1.00 42.12 C ATOM 1116 C ALA A 75 13.406 -42.560 1.218 1.00 34.34 C ATOM 1117 O ALA A 75 14.004 -43.576 1.574 1.00 53.02 O ATOM 1118 CB ALA A 75 14.173 -40.293 1.944 1.00 42.02 C ATOM 0 H ALA A 75 14.152 -41.931 3.947 1.00 23.41 H new ATOM 0 HA ALA A 75 12.158 -41.012 1.987 1.00 42.12 H new ATOM 0 HB1 ALA A 75 14.123 -39.969 0.905 1.00 42.02 H new ATOM 0 HB2 ALA A 75 13.949 -39.450 2.598 1.00 42.02 H new ATOM 0 HB3 ALA A 75 15.175 -40.665 2.161 1.00 42.02 H new ATOM 1124 N PRO A 76 12.935 -42.407 -0.028 1.00 73.32 N ATOM 1125 CA PRO A 76 13.093 -43.431 -1.065 1.00 70.13 C ATOM 1126 C PRO A 76 14.540 -43.572 -1.524 1.00 62.43 C ATOM 1127 O PRO A 76 15.442 -42.948 -0.966 1.00 3.30 O ATOM 1128 CB PRO A 76 12.217 -42.915 -2.210 1.00 30.03 C ATOM 1129 CG PRO A 76 12.161 -41.440 -2.008 1.00 71.04 C ATOM 1130 CD PRO A 76 12.212 -41.223 -0.521 1.00 40.23 C ATOM 0 HA PRO A 76 12.810 -44.421 -0.707 1.00 70.13 H new ATOM 0 HB2 PRO A 76 12.645 -43.166 -3.180 1.00 30.03 H new ATOM 0 HB3 PRO A 76 11.221 -43.357 -2.177 1.00 30.03 H new ATOM 0 HG2 PRO A 76 12.997 -40.946 -2.503 1.00 71.04 H new ATOM 0 HG3 PRO A 76 11.248 -41.022 -2.432 1.00 71.04 H new ATOM 0 HD2 PRO A 76 12.733 -40.300 -0.267 1.00 40.23 H new ATOM 0 HD3 PRO A 76 11.213 -41.154 -0.090 1.00 40.23 H new ATOM 1138 N ASP A 77 14.755 -44.396 -2.544 1.00 73.12 N ATOM 1139 CA ASP A 77 16.093 -44.618 -3.079 1.00 71.14 C ATOM 1140 C ASP A 77 16.515 -43.464 -3.983 1.00 70.04 C ATOM 1141 O ASP A 77 17.633 -43.441 -4.496 1.00 63.43 O ATOM 1142 CB ASP A 77 16.143 -45.935 -3.856 1.00 10.03 C ATOM 1143 CG ASP A 77 16.525 -47.110 -2.978 1.00 23.32 C ATOM 1144 OD1 ASP A 77 15.624 -47.692 -2.338 1.00 54.41 O ATOM 1145 OD2 ASP A 77 17.726 -47.450 -2.931 1.00 40.42 O ATOM 0 H ASP A 77 14.019 -44.921 -3.017 1.00 73.12 H new ATOM 0 HA ASP A 77 16.788 -44.673 -2.241 1.00 71.14 H new ATOM 0 HB2 ASP A 77 15.169 -46.124 -4.308 1.00 10.03 H new ATOM 0 HB3 ASP A 77 16.861 -45.846 -4.671 1.00 10.03 H new ATOM 1150 N ALA A 78 15.612 -42.508 -4.175 1.00 33.13 N ATOM 1151 CA ALA A 78 15.891 -41.351 -5.016 1.00 13.22 C ATOM 1152 C ALA A 78 16.038 -40.086 -4.177 1.00 51.55 C ATOM 1153 O ALA A 78 16.708 -39.136 -4.581 1.00 72.04 O ATOM 1154 CB ALA A 78 14.791 -41.174 -6.052 1.00 70.44 C ATOM 0 H ALA A 78 14.681 -42.512 -3.759 1.00 33.13 H new ATOM 0 HA ALA A 78 16.835 -41.526 -5.531 1.00 13.22 H new ATOM 0 HB1 ALA A 78 15.012 -40.306 -6.673 1.00 70.44 H new ATOM 0 HB2 ALA A 78 14.735 -42.064 -6.679 1.00 70.44 H new ATOM 0 HB3 ALA A 78 13.836 -41.025 -5.547 1.00 70.44 H new ATOM 1160 N GLY A 79 15.406 -40.079 -3.007 1.00 64.44 N ATOM 1161 CA GLY A 79 15.479 -38.925 -2.131 1.00 43.11 C ATOM 1162 C GLY A 79 14.133 -38.255 -1.942 1.00 11.22 C ATOM 1163 O GLY A 79 13.132 -38.684 -2.516 1.00 64.12 O ATOM 0 H GLY A 79 14.845 -40.852 -2.651 1.00 64.44 H new ATOM 0 HA2 GLY A 79 15.867 -39.233 -1.160 1.00 43.11 H new ATOM 0 HA3 GLY A 79 16.186 -38.204 -2.543 1.00 43.11 H new ATOM 1167 N TRP A 80 14.107 -37.201 -1.134 1.00 31.34 N ATOM 1168 CA TRP A 80 12.872 -36.472 -0.869 1.00 0.33 C ATOM 1169 C TRP A 80 12.382 -35.757 -2.123 1.00 61.23 C ATOM 1170 O TRP A 80 11.270 -35.997 -2.591 1.00 40.04 O ATOM 1171 CB TRP A 80 13.085 -35.460 0.259 1.00 72.51 C ATOM 1172 CG TRP A 80 13.321 -36.100 1.594 1.00 61.14 C ATOM 1173 CD1 TRP A 80 14.455 -36.022 2.350 1.00 22.34 C ATOM 1174 CD2 TRP A 80 12.402 -36.916 2.328 1.00 72.25 C ATOM 1175 NE1 TRP A 80 14.296 -36.741 3.511 1.00 63.13 N ATOM 1176 CE2 TRP A 80 13.045 -37.298 3.521 1.00 20.31 C ATOM 1177 CE3 TRP A 80 11.097 -37.360 2.094 1.00 44.32 C ATOM 1178 CZ2 TRP A 80 12.427 -38.103 4.475 1.00 42.13 C ATOM 1179 CZ3 TRP A 80 10.486 -38.158 3.041 1.00 33.51 C ATOM 1180 CH2 TRP A 80 11.150 -38.523 4.220 1.00 51.22 C ATOM 0 H TRP A 80 14.926 -36.832 -0.651 1.00 31.34 H new ATOM 0 HA TRP A 80 12.113 -37.192 -0.564 1.00 0.33 H new ATOM 0 HB2 TRP A 80 13.936 -34.826 0.012 1.00 72.51 H new ATOM 0 HB3 TRP A 80 12.212 -34.811 0.325 1.00 72.51 H new ATOM 0 HD1 TRP A 80 15.346 -35.476 2.076 1.00 22.34 H new ATOM 0 HE1 TRP A 80 14.996 -36.843 4.246 1.00 63.13 H new ATOM 0 HE3 TRP A 80 10.576 -37.084 1.189 1.00 44.32 H new ATOM 0 HZ2 TRP A 80 12.938 -38.386 5.384 1.00 42.13 H new ATOM 0 HZ3 TRP A 80 9.478 -38.507 2.870 1.00 33.51 H new ATOM 0 HH2 TRP A 80 10.644 -39.148 4.941 1.00 51.22 H new ATOM 1191 N GLY A 81 13.220 -34.878 -2.664 1.00 42.21 N ATOM 1192 CA GLY A 81 12.854 -34.142 -3.860 1.00 74.11 C ATOM 1193 C GLY A 81 12.044 -32.898 -3.550 1.00 64.34 C ATOM 1194 O GLY A 81 12.017 -32.436 -2.411 1.00 13.31 O ATOM 0 H GLY A 81 14.146 -34.662 -2.295 1.00 42.21 H new ATOM 0 HA2 GLY A 81 13.758 -33.858 -4.399 1.00 74.11 H new ATOM 0 HA3 GLY A 81 12.279 -34.791 -4.521 1.00 74.11 H new ATOM 1198 N ASN A 82 11.385 -32.355 -4.568 1.00 42.54 N ATOM 1199 CA ASN A 82 10.573 -31.155 -4.400 1.00 3.25 C ATOM 1200 C ASN A 82 9.165 -31.369 -4.947 1.00 23.43 C ATOM 1201 O ASN A 82 8.543 -30.444 -5.470 1.00 62.25 O ATOM 1202 CB ASN A 82 11.230 -29.966 -5.103 1.00 44.15 C ATOM 1203 CG ASN A 82 12.744 -30.006 -5.015 1.00 52.01 C ATOM 1204 OD1 ASN A 82 13.260 -30.222 -3.811 1.00 13.33 O flip ATOM 1205 ND2 ASN A 82 13.440 -29.845 -6.018 1.00 24.20 N flip ATOM 0 H ASN A 82 11.397 -32.727 -5.518 1.00 42.54 H new ATOM 0 HA ASN A 82 10.501 -30.943 -3.333 1.00 3.25 H new ATOM 0 HB2 ASN A 82 10.930 -29.956 -6.151 1.00 44.15 H new ATOM 0 HB3 ASN A 82 10.867 -29.039 -4.659 1.00 44.15 H new ATOM 0 HD21 ASN A 82 13.000 -29.682 -6.923 1.00 24.20 H new ATOM 0 HD22 ASN A 82 14.457 -29.875 -5.943 1.00 24.20 H new ATOM 1212 N LEU A 83 8.668 -32.595 -4.821 1.00 44.14 N ATOM 1213 CA LEU A 83 7.333 -32.932 -5.302 1.00 40.05 C ATOM 1214 C LEU A 83 6.288 -32.699 -4.216 1.00 51.43 C ATOM 1215 O LEU A 83 6.602 -32.204 -3.133 1.00 62.25 O ATOM 1216 CB LEU A 83 7.289 -34.390 -5.764 1.00 53.42 C ATOM 1217 CG LEU A 83 7.957 -35.407 -4.839 1.00 34.42 C ATOM 1218 CD1 LEU A 83 9.455 -35.456 -5.092 1.00 4.32 C ATOM 1219 CD2 LEU A 83 7.670 -35.072 -3.382 1.00 62.33 C ATOM 0 H LEU A 83 9.169 -33.372 -4.390 1.00 44.14 H new ATOM 0 HA LEU A 83 7.103 -32.282 -6.147 1.00 40.05 H new ATOM 0 HB2 LEU A 83 6.246 -34.678 -5.894 1.00 53.42 H new ATOM 0 HB3 LEU A 83 7.762 -34.454 -6.744 1.00 53.42 H new ATOM 0 HG LEU A 83 7.542 -36.392 -5.053 1.00 34.42 H new ATOM 0 HD11 LEU A 83 9.913 -36.186 -4.424 1.00 4.32 H new ATOM 0 HD12 LEU A 83 9.640 -35.745 -6.127 1.00 4.32 H new ATOM 0 HD13 LEU A 83 9.888 -34.473 -4.907 1.00 4.32 H new ATOM 0 HD21 LEU A 83 8.153 -35.806 -2.738 1.00 62.33 H new ATOM 0 HD22 LEU A 83 8.057 -34.079 -3.154 1.00 62.33 H new ATOM 0 HD23 LEU A 83 6.594 -35.090 -3.210 1.00 62.33 H new ATOM 1231 N VAL A 84 5.043 -33.060 -4.512 1.00 43.23 N ATOM 1232 CA VAL A 84 3.952 -32.893 -3.560 1.00 71.10 C ATOM 1233 C VAL A 84 3.724 -34.169 -2.757 1.00 10.54 C ATOM 1234 O VAL A 84 4.138 -35.254 -3.165 1.00 32.04 O ATOM 1235 CB VAL A 84 2.641 -32.506 -4.271 1.00 4.14 C ATOM 1236 CG1 VAL A 84 1.628 -31.974 -3.269 1.00 13.10 C ATOM 1237 CG2 VAL A 84 2.911 -31.483 -5.364 1.00 14.24 C ATOM 0 H VAL A 84 4.765 -33.470 -5.404 1.00 43.23 H new ATOM 0 HA VAL A 84 4.241 -32.088 -2.884 1.00 71.10 H new ATOM 0 HB VAL A 84 2.222 -33.398 -4.736 1.00 4.14 H new ATOM 0 HG11 VAL A 84 0.708 -31.706 -3.789 1.00 13.10 H new ATOM 0 HG12 VAL A 84 1.414 -32.742 -2.526 1.00 13.10 H new ATOM 0 HG13 VAL A 84 2.035 -31.093 -2.773 1.00 13.10 H new ATOM 0 HG21 VAL A 84 1.974 -31.221 -5.856 1.00 14.24 H new ATOM 0 HG22 VAL A 84 3.353 -30.589 -4.924 1.00 14.24 H new ATOM 0 HG23 VAL A 84 3.599 -31.906 -6.096 1.00 14.24 H new ATOM 1247 N TYR A 85 3.063 -34.030 -1.613 1.00 31.22 N ATOM 1248 CA TYR A 85 2.781 -35.171 -0.750 1.00 61.41 C ATOM 1249 C TYR A 85 1.332 -35.150 -0.275 1.00 14.05 C ATOM 1250 O TYR A 85 0.746 -34.085 -0.077 1.00 24.14 O ATOM 1251 CB TYR A 85 3.725 -35.173 0.454 1.00 55.51 C ATOM 1252 CG TYR A 85 3.110 -34.588 1.706 1.00 73.14 C ATOM 1253 CD1 TYR A 85 2.292 -35.356 2.525 1.00 75.31 C ATOM 1254 CD2 TYR A 85 3.346 -33.268 2.068 1.00 12.04 C ATOM 1255 CE1 TYR A 85 1.727 -34.827 3.669 1.00 11.42 C ATOM 1256 CE2 TYR A 85 2.787 -32.730 3.211 1.00 33.44 C ATOM 1257 CZ TYR A 85 1.978 -33.513 4.008 1.00 31.54 C ATOM 1258 OH TYR A 85 1.418 -32.981 5.147 1.00 31.21 O ATOM 0 H TYR A 85 2.713 -33.139 -1.262 1.00 31.22 H new ATOM 0 HA TYR A 85 2.941 -36.080 -1.329 1.00 61.41 H new ATOM 0 HB2 TYR A 85 4.039 -36.197 0.658 1.00 55.51 H new ATOM 0 HB3 TYR A 85 4.623 -34.609 0.202 1.00 55.51 H new ATOM 0 HD1 TYR A 85 2.094 -36.385 2.263 1.00 75.31 H new ATOM 0 HD2 TYR A 85 3.977 -32.652 1.445 1.00 12.04 H new ATOM 0 HE1 TYR A 85 1.093 -35.438 4.294 1.00 11.42 H new ATOM 0 HE2 TYR A 85 2.982 -31.702 3.479 1.00 33.44 H new ATOM 0 HH TYR A 85 1.934 -32.197 5.429 1.00 31.21 H new ATOM 1268 N VAL A 86 0.758 -36.335 -0.092 1.00 72.24 N ATOM 1269 CA VAL A 86 -0.623 -36.455 0.362 1.00 45.43 C ATOM 1270 C VAL A 86 -0.687 -36.967 1.796 1.00 62.30 C ATOM 1271 O VAL A 86 -0.127 -38.015 2.118 1.00 71.52 O ATOM 1272 CB VAL A 86 -1.432 -37.399 -0.546 1.00 73.23 C ATOM 1273 CG1 VAL A 86 -2.833 -37.603 0.010 1.00 73.44 C ATOM 1274 CG2 VAL A 86 -1.487 -36.856 -1.966 1.00 50.40 C ATOM 0 H VAL A 86 1.228 -37.226 -0.251 1.00 72.24 H new ATOM 0 HA VAL A 86 -1.060 -35.457 0.316 1.00 45.43 H new ATOM 0 HB VAL A 86 -0.932 -38.367 -0.571 1.00 73.23 H new ATOM 0 HG11 VAL A 86 -3.390 -38.273 -0.645 1.00 73.44 H new ATOM 0 HG12 VAL A 86 -2.769 -38.040 1.007 1.00 73.44 H new ATOM 0 HG13 VAL A 86 -3.345 -36.643 0.067 1.00 73.44 H new ATOM 0 HG21 VAL A 86 -2.063 -37.536 -2.594 1.00 50.40 H new ATOM 0 HG22 VAL A 86 -1.963 -35.875 -1.962 1.00 50.40 H new ATOM 0 HG23 VAL A 86 -0.475 -36.767 -2.361 1.00 50.40 H new ATOM 1284 N VAL A 87 -1.374 -36.221 2.655 1.00 21.11 N ATOM 1285 CA VAL A 87 -1.513 -36.601 4.056 1.00 54.50 C ATOM 1286 C VAL A 87 -2.227 -37.940 4.194 1.00 75.41 C ATOM 1287 O VAL A 87 -2.962 -38.358 3.300 1.00 33.43 O ATOM 1288 CB VAL A 87 -2.289 -35.534 4.852 1.00 44.21 C ATOM 1289 CG1 VAL A 87 -2.162 -35.785 6.347 1.00 64.54 C ATOM 1290 CG2 VAL A 87 -1.796 -34.140 4.494 1.00 42.12 C ATOM 0 H VAL A 87 -1.843 -35.350 2.406 1.00 21.11 H new ATOM 0 HA VAL A 87 -0.505 -36.686 4.462 1.00 54.50 H new ATOM 0 HB VAL A 87 -3.344 -35.602 4.585 1.00 44.21 H new ATOM 0 HG11 VAL A 87 -2.716 -35.021 6.893 1.00 64.54 H new ATOM 0 HG12 VAL A 87 -2.567 -36.768 6.587 1.00 64.54 H new ATOM 0 HG13 VAL A 87 -1.111 -35.745 6.635 1.00 64.54 H new ATOM 0 HG21 VAL A 87 -2.355 -33.399 5.065 1.00 42.12 H new ATOM 0 HG22 VAL A 87 -0.735 -34.057 4.731 1.00 42.12 H new ATOM 0 HG23 VAL A 87 -1.944 -33.964 3.429 1.00 42.12 H new ATOM 1300 N ASN A 88 -2.006 -38.609 5.321 1.00 71.42 N ATOM 1301 CA ASN A 88 -2.629 -39.903 5.576 1.00 23.25 C ATOM 1302 C ASN A 88 -2.965 -40.062 7.056 1.00 24.41 C ATOM 1303 O ASN A 88 -2.166 -40.589 7.832 1.00 51.43 O ATOM 1304 CB ASN A 88 -1.703 -41.036 5.127 1.00 0.34 C ATOM 1305 CG ASN A 88 -2.432 -42.358 4.990 1.00 71.23 C ATOM 1306 OD1 ASN A 88 -3.644 -42.392 4.773 1.00 65.31 O ATOM 1307 ND2 ASN A 88 -1.695 -43.456 5.116 1.00 53.25 N ATOM 0 H ASN A 88 -1.401 -38.277 6.072 1.00 71.42 H new ATOM 0 HA ASN A 88 -3.555 -39.952 5.004 1.00 23.25 H new ATOM 0 HB2 ASN A 88 -1.249 -40.774 4.171 1.00 0.34 H new ATOM 0 HB3 ASN A 88 -0.891 -41.145 5.846 1.00 0.34 H new ATOM 0 HD21 ASN A 88 -2.130 -44.375 5.033 1.00 53.25 H new ATOM 0 HD22 ASN A 88 -0.694 -43.380 5.295 1.00 53.25 H new