USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 456 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN :FLIP amide:sc= -0.339 F(o=-5!,f=-0.44) USER MOD Set 1.2: A 32 THR OG1 : rot 43:sc= -0.0999 USER MOD Single : A 17 ASN : amide:sc= -0.728 K(o=-0.73,f=-2.2!) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= -0.0551 (180deg=-0.329) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 15:sc= -0.0188 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 139:sc= -0.327 (180deg=-4.64!) USER MOD Single : A 52 SER OG : rot 46:sc= 0.197 USER MOD Single : A 56 MET CE :methyl 170:sc= -4.31! (180deg=-4.94!) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 203 N ASN A 17 -7.472 -9.641 5.430 1.00 0.00 N ATOM 204 CA ASN A 17 -7.336 -8.201 5.242 1.00 0.00 C ATOM 205 C ASN A 17 -7.354 -7.842 3.759 1.00 0.00 C ATOM 206 O ASN A 17 -7.426 -8.720 2.899 1.00 0.00 O ATOM 207 CB ASN A 17 -6.040 -7.702 5.883 1.00 0.00 C ATOM 208 CG ASN A 17 -6.191 -7.447 7.370 1.00 0.00 C ATOM 209 OD1 ASN A 17 -7.187 -6.876 7.815 1.00 0.00 O ATOM 210 ND2 ASN A 17 -5.200 -7.869 8.147 1.00 0.00 N ATOM 0 HA ASN A 17 -8.183 -7.715 5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.252 -8.437 5.722 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.724 -6.783 5.390 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.246 -7.724 9.156 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.393 -8.338 7.735 1.00 0.00 H new ATOM 217 N ARG A 18 -7.288 -6.547 3.468 1.00 0.00 N ATOM 218 CA ARG A 18 -7.297 -6.073 2.090 1.00 0.00 C ATOM 219 C ARG A 18 -5.878 -5.984 1.535 1.00 0.00 C ATOM 220 O ARG A 18 -4.905 -5.965 2.290 1.00 0.00 O ATOM 221 CB ARG A 18 -7.976 -4.704 2.004 1.00 0.00 C ATOM 222 CG ARG A 18 -9.479 -4.782 1.789 1.00 0.00 C ATOM 223 CD ARG A 18 -9.828 -4.831 0.310 1.00 0.00 C ATOM 224 NE ARG A 18 -11.270 -4.919 0.091 1.00 0.00 N ATOM 225 CZ ARG A 18 -11.849 -4.699 -1.084 1.00 0.00 C ATOM 226 NH1 ARG A 18 -11.114 -4.379 -2.140 1.00 0.00 N ATOM 227 NH2 ARG A 18 -13.167 -4.798 -1.203 1.00 0.00 N ATOM 0 H ARG A 18 -7.228 -5.808 4.168 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.859 -6.789 1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.777 -4.151 2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.530 -4.137 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.873 -5.668 2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.959 -3.918 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.440 -3.940 -0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.338 -5.689 -0.150 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.864 -5.163 0.883 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.101 -4.301 -2.052 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.562 -4.211 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.735 -5.043 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.612 -4.629 -2.105 1.00 0.00 H new ATOM 241 N LYS A 19 -5.768 -5.931 0.212 1.00 0.00 N ATOM 242 CA LYS A 19 -4.469 -5.844 -0.444 1.00 0.00 C ATOM 243 C LYS A 19 -4.447 -4.705 -1.459 1.00 0.00 C ATOM 244 O LYS A 19 -5.405 -4.509 -2.206 1.00 0.00 O ATOM 245 CB LYS A 19 -4.136 -7.167 -1.139 1.00 0.00 C ATOM 246 CG LYS A 19 -3.924 -8.323 -0.177 1.00 0.00 C ATOM 247 CD LYS A 19 -2.470 -8.435 0.249 1.00 0.00 C ATOM 248 CE LYS A 19 -2.111 -9.861 0.636 1.00 0.00 C ATOM 249 NZ LYS A 19 -2.105 -10.772 -0.542 1.00 0.00 N ATOM 0 H LYS A 19 -6.563 -5.947 -0.427 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.717 -5.642 0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.944 -7.420 -1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.236 -7.036 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.552 -8.185 0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.238 -9.253 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.825 -8.104 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.285 -7.770 1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.129 -9.872 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.824 -10.227 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.518 -11.605 -0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.077 -11.076 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.715 -10.271 -1.366 1.00 0.00 H new ATOM 263 N ALA A 20 -3.348 -3.959 -1.480 1.00 0.00 N ATOM 264 CA ALA A 20 -3.201 -2.842 -2.406 1.00 0.00 C ATOM 265 C ALA A 20 -1.772 -2.747 -2.929 1.00 0.00 C ATOM 266 O ALA A 20 -0.814 -2.987 -2.193 1.00 0.00 O ATOM 267 CB ALA A 20 -3.605 -1.540 -1.730 1.00 0.00 C ATOM 0 H ALA A 20 -2.546 -4.107 -0.867 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.860 -3.018 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.490 -0.714 -2.432 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.645 -1.603 -1.411 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.969 -1.368 -0.862 1.00 0.00 H new ATOM 273 N ARG A 21 -1.635 -2.398 -4.204 1.00 0.00 N ATOM 274 CA ARG A 21 -0.323 -2.274 -4.826 1.00 0.00 C ATOM 275 C ARG A 21 0.199 -0.844 -4.713 1.00 0.00 C ATOM 276 O ARG A 21 -0.493 0.110 -5.067 1.00 0.00 O ATOM 277 CB ARG A 21 -0.390 -2.689 -6.297 1.00 0.00 C ATOM 278 CG ARG A 21 0.847 -2.310 -7.094 1.00 0.00 C ATOM 279 CD ARG A 21 0.685 -0.953 -7.761 1.00 0.00 C ATOM 280 NE ARG A 21 0.096 -1.064 -9.093 1.00 0.00 N ATOM 281 CZ ARG A 21 0.283 -0.168 -10.056 1.00 0.00 C ATOM 282 NH1 ARG A 21 1.038 0.899 -9.836 1.00 0.00 N ATOM 283 NH2 ARG A 21 -0.287 -0.340 -11.242 1.00 0.00 N ATOM 0 H ARG A 21 -2.417 -2.196 -4.826 1.00 0.00 H new ATOM 0 HA ARG A 21 0.364 -2.937 -4.300 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.533 -3.768 -6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.264 -2.227 -6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.715 -2.291 -6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.039 -3.069 -7.852 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.056 -0.316 -7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.658 -0.467 -7.834 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.491 -1.873 -9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.477 1.034 -8.925 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.180 1.585 -10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.869 -1.160 -11.414 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.144 0.348 -11.981 1.00 0.00 H new ATOM 297 N VAL A 22 1.425 -0.704 -4.217 1.00 0.00 N ATOM 298 CA VAL A 22 2.040 0.608 -4.058 1.00 0.00 C ATOM 299 C VAL A 22 2.423 1.202 -5.409 1.00 0.00 C ATOM 300 O VAL A 22 2.887 0.493 -6.303 1.00 0.00 O ATOM 301 CB VAL A 22 3.294 0.536 -3.167 1.00 0.00 C ATOM 302 CG1 VAL A 22 3.977 1.893 -3.094 1.00 0.00 C ATOM 303 CG2 VAL A 22 2.931 0.037 -1.776 1.00 0.00 C ATOM 0 H VAL A 22 2.011 -1.483 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 22 1.300 1.249 -3.579 1.00 0.00 H new ATOM 0 HB VAL A 22 3.994 -0.172 -3.611 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.861 1.822 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.273 2.206 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.287 2.625 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.829 -0.008 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.212 0.719 -1.321 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.491 -0.958 -1.850 1.00 0.00 H new ATOM 313 N LEU A 23 2.228 2.509 -5.551 1.00 0.00 N ATOM 314 CA LEU A 23 2.554 3.200 -6.793 1.00 0.00 C ATOM 315 C LEU A 23 3.923 3.867 -6.702 1.00 0.00 C ATOM 316 O LEU A 23 4.623 4.010 -7.705 1.00 0.00 O ATOM 317 CB LEU A 23 1.485 4.246 -7.113 1.00 0.00 C ATOM 318 CG LEU A 23 0.035 3.812 -6.897 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.910 4.988 -7.089 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.328 2.675 -7.842 1.00 0.00 C ATOM 0 H LEU A 23 1.846 3.111 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 23 2.583 2.461 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.674 5.128 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.601 4.549 -8.154 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.067 3.454 -5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.937 4.659 -6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.666 5.772 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.805 5.377 -8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.364 2.379 -7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.208 3.007 -8.873 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.327 1.824 -7.656 1.00 0.00 H new ATOM 332 N TYR A 24 4.299 4.272 -5.494 1.00 0.00 N ATOM 333 CA TYR A 24 5.584 4.924 -5.272 1.00 0.00 C ATOM 334 C TYR A 24 6.147 4.564 -3.900 1.00 0.00 C ATOM 335 O TYR A 24 5.400 4.365 -2.942 1.00 0.00 O ATOM 336 CB TYR A 24 5.437 6.441 -5.393 1.00 0.00 C ATOM 337 CG TYR A 24 4.472 6.872 -6.474 1.00 0.00 C ATOM 338 CD1 TYR A 24 3.111 6.978 -6.216 1.00 0.00 C ATOM 339 CD2 TYR A 24 4.921 7.173 -7.755 1.00 0.00 C ATOM 340 CE1 TYR A 24 2.225 7.370 -7.201 1.00 0.00 C ATOM 341 CE2 TYR A 24 4.042 7.567 -8.745 1.00 0.00 C ATOM 342 CZ TYR A 24 2.696 7.664 -8.464 1.00 0.00 C ATOM 343 OH TYR A 24 1.817 8.056 -9.447 1.00 0.00 O ATOM 0 H TYR A 24 3.732 4.160 -4.653 1.00 0.00 H new ATOM 0 HA TYR A 24 6.279 4.571 -6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.101 6.842 -4.437 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.415 6.877 -5.596 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.739 6.750 -5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.975 7.097 -7.980 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.170 7.446 -6.984 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.408 7.798 -9.735 1.00 0.00 H new ATOM 0 HH TYR A 24 2.309 8.227 -10.277 1.00 0.00 H new ATOM 353 N ASP A 25 7.470 4.484 -3.814 1.00 0.00 N ATOM 354 CA ASP A 25 8.136 4.150 -2.560 1.00 0.00 C ATOM 355 C ASP A 25 7.934 5.254 -1.527 1.00 0.00 C ATOM 356 O ASP A 25 8.378 6.387 -1.719 1.00 0.00 O ATOM 357 CB ASP A 25 9.630 3.923 -2.796 1.00 0.00 C ATOM 358 CG ASP A 25 9.918 3.347 -4.169 1.00 0.00 C ATOM 359 OD1 ASP A 25 9.675 4.051 -5.171 1.00 0.00 O ATOM 360 OD2 ASP A 25 10.388 2.192 -4.241 1.00 0.00 O ATOM 0 H ASP A 25 8.103 4.646 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 25 7.693 3.231 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.161 4.868 -2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.017 3.247 -2.033 1.00 0.00 H new ATOM 365 N TYR A 26 7.261 4.917 -0.433 1.00 0.00 N ATOM 366 CA TYR A 26 6.997 5.881 0.629 1.00 0.00 C ATOM 367 C TYR A 26 7.985 5.709 1.779 1.00 0.00 C ATOM 368 O TYR A 26 8.498 4.614 2.013 1.00 0.00 O ATOM 369 CB TYR A 26 5.565 5.724 1.144 1.00 0.00 C ATOM 370 CG TYR A 26 5.255 6.590 2.344 1.00 0.00 C ATOM 371 CD1 TYR A 26 5.092 7.963 2.211 1.00 0.00 C ATOM 372 CD2 TYR A 26 5.124 6.035 3.611 1.00 0.00 C ATOM 373 CE1 TYR A 26 4.810 8.759 3.304 1.00 0.00 C ATOM 374 CE2 TYR A 26 4.840 6.822 4.710 1.00 0.00 C ATOM 375 CZ TYR A 26 4.684 8.184 4.552 1.00 0.00 C ATOM 376 OH TYR A 26 4.401 8.972 5.643 1.00 0.00 O ATOM 0 H TYR A 26 6.888 3.984 -0.258 1.00 0.00 H new ATOM 0 HA TYR A 26 7.120 6.882 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.870 5.969 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.394 4.680 1.406 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.187 8.416 1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.246 4.970 3.739 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.689 9.825 3.183 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.741 6.374 5.688 1.00 0.00 H new ATOM 0 HH TYR A 26 4.089 9.850 5.340 1.00 0.00 H new ATOM 386 N ASP A 27 8.246 6.798 2.493 1.00 0.00 N ATOM 387 CA ASP A 27 9.171 6.769 3.620 1.00 0.00 C ATOM 388 C ASP A 27 8.488 7.254 4.896 1.00 0.00 C ATOM 389 O ASP A 27 8.266 8.451 5.076 1.00 0.00 O ATOM 390 CB ASP A 27 10.397 7.634 3.324 1.00 0.00 C ATOM 391 CG ASP A 27 11.627 7.173 4.080 1.00 0.00 C ATOM 392 OD1 ASP A 27 11.512 6.906 5.295 1.00 0.00 O ATOM 393 OD2 ASP A 27 12.705 7.078 3.458 1.00 0.00 O ATOM 0 H ASP A 27 7.830 7.712 2.312 1.00 0.00 H new ATOM 0 HA ASP A 27 9.491 5.738 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.603 7.613 2.254 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.180 8.669 3.587 1.00 0.00 H new ATOM 398 N ALA A 28 8.158 6.315 5.777 1.00 0.00 N ATOM 399 CA ALA A 28 7.501 6.647 7.036 1.00 0.00 C ATOM 400 C ALA A 28 8.282 7.713 7.798 1.00 0.00 C ATOM 401 O ALA A 28 9.502 7.627 7.928 1.00 0.00 O ATOM 402 CB ALA A 28 7.337 5.399 7.890 1.00 0.00 C ATOM 0 H ALA A 28 8.335 5.319 5.643 1.00 0.00 H new ATOM 0 HA ALA A 28 6.514 7.050 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.845 5.661 8.827 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.731 4.668 7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.317 4.972 8.102 1.00 0.00 H new ATOM 408 N ALA A 29 7.569 8.717 8.298 1.00 0.00 N ATOM 409 CA ALA A 29 8.195 9.798 9.048 1.00 0.00 C ATOM 410 C ALA A 29 8.375 9.418 10.514 1.00 0.00 C ATOM 411 O ALA A 29 9.352 9.808 11.151 1.00 0.00 O ATOM 412 CB ALA A 29 7.369 11.071 8.929 1.00 0.00 C ATOM 0 H ALA A 29 6.558 8.804 8.197 1.00 0.00 H new ATOM 0 HA ALA A 29 9.182 9.977 8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.849 11.870 9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.296 11.361 7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.370 10.895 9.327 1.00 0.00 H new ATOM 418 N ASN A 30 7.424 8.654 11.043 1.00 0.00 N ATOM 419 CA ASN A 30 7.478 8.222 12.435 1.00 0.00 C ATOM 420 C ASN A 30 7.150 6.737 12.556 1.00 0.00 C ATOM 421 O ASN A 30 6.638 6.125 11.619 1.00 0.00 O ATOM 422 CB ASN A 30 6.503 9.042 13.283 1.00 0.00 C ATOM 423 CG ASN A 30 5.295 9.504 12.491 1.00 0.00 C ATOM 424 OD1 ASN A 30 4.665 8.577 11.778 1.00 0.00 O flip ATOM 425 ND2 ASN A 30 4.932 10.680 12.520 1.00 0.00 N flip ATOM 0 H ASN A 30 6.608 8.322 10.529 1.00 0.00 H new ATOM 0 HA ASN A 30 8.492 8.383 12.801 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.171 8.443 14.131 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.021 9.910 13.690 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.446 11.359 13.082 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.117 10.976 11.982 1.00 0.00 H new ATOM 432 N SER A 31 7.448 6.164 13.718 1.00 0.00 N ATOM 433 CA SER A 31 7.189 4.750 13.962 1.00 0.00 C ATOM 434 C SER A 31 5.795 4.362 13.477 1.00 0.00 C ATOM 435 O SER A 31 5.642 3.487 12.623 1.00 0.00 O ATOM 436 CB SER A 31 7.329 4.433 15.452 1.00 0.00 C ATOM 437 OG SER A 31 7.606 3.059 15.657 1.00 0.00 O ATOM 0 H SER A 31 7.869 6.657 14.505 1.00 0.00 H new ATOM 0 HA SER A 31 7.924 4.170 13.404 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.128 5.036 15.882 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.410 4.704 15.972 1.00 0.00 H new ATOM 0 HG SER A 31 7.693 2.882 16.617 1.00 0.00 H new ATOM 443 N THR A 32 4.779 5.019 14.028 1.00 0.00 N ATOM 444 CA THR A 32 3.398 4.744 13.654 1.00 0.00 C ATOM 445 C THR A 32 3.271 4.505 12.154 1.00 0.00 C ATOM 446 O THR A 32 2.484 3.668 11.714 1.00 0.00 O ATOM 447 CB THR A 32 2.465 5.901 14.059 1.00 0.00 C ATOM 448 OG1 THR A 32 3.042 7.153 13.672 1.00 0.00 O ATOM 449 CG2 THR A 32 2.214 5.894 15.559 1.00 0.00 C ATOM 0 H THR A 32 4.887 5.746 14.735 1.00 0.00 H new ATOM 0 HA THR A 32 3.100 3.842 14.189 1.00 0.00 H new ATOM 0 HB THR A 32 1.512 5.767 13.547 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.424 7.073 12.773 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.553 6.720 15.821 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.748 4.951 15.846 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.161 6.006 16.087 1.00 0.00 H new ATOM 457 N GLU A 33 4.053 5.245 11.373 1.00 0.00 N ATOM 458 CA GLU A 33 4.027 5.112 9.922 1.00 0.00 C ATOM 459 C GLU A 33 4.986 4.020 9.458 1.00 0.00 C ATOM 460 O GLU A 33 5.971 3.715 10.133 1.00 0.00 O ATOM 461 CB GLU A 33 4.392 6.442 9.259 1.00 0.00 C ATOM 462 CG GLU A 33 3.261 7.457 9.268 1.00 0.00 C ATOM 463 CD GLU A 33 3.736 8.862 8.952 1.00 0.00 C ATOM 464 OE1 GLU A 33 4.910 9.172 9.249 1.00 0.00 O ATOM 465 OE2 GLU A 33 2.936 9.652 8.409 1.00 0.00 O ATOM 0 H GLU A 33 4.711 5.942 11.721 1.00 0.00 H new ATOM 0 HA GLU A 33 3.016 4.832 9.627 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.255 6.868 9.770 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.692 6.254 8.228 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.506 7.160 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.780 7.451 10.246 1.00 0.00 H new ATOM 472 N LEU A 34 4.693 3.434 8.302 1.00 0.00 N ATOM 473 CA LEU A 34 5.528 2.375 7.747 1.00 0.00 C ATOM 474 C LEU A 34 6.040 2.755 6.361 1.00 0.00 C ATOM 475 O LEU A 34 5.366 3.462 5.612 1.00 0.00 O ATOM 476 CB LEU A 34 4.742 1.065 7.671 1.00 0.00 C ATOM 477 CG LEU A 34 4.858 0.141 8.884 1.00 0.00 C ATOM 478 CD1 LEU A 34 4.070 -1.139 8.657 1.00 0.00 C ATOM 479 CD2 LEU A 34 6.318 -0.173 9.177 1.00 0.00 C ATOM 0 H LEU A 34 3.883 3.675 7.731 1.00 0.00 H new ATOM 0 HA LEU A 34 6.385 2.239 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.689 1.304 7.521 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.073 0.517 6.789 1.00 0.00 H new ATOM 0 HG LEU A 34 4.437 0.653 9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.164 -1.784 9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.020 -0.896 8.497 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.460 -1.656 7.780 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.382 -0.832 10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.765 -0.665 8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.855 0.753 9.385 1.00 0.00 H new ATOM 491 N SER A 35 7.236 2.280 6.027 1.00 0.00 N ATOM 492 CA SER A 35 7.839 2.572 4.732 1.00 0.00 C ATOM 493 C SER A 35 7.257 1.670 3.647 1.00 0.00 C ATOM 494 O SER A 35 6.968 0.497 3.886 1.00 0.00 O ATOM 495 CB SER A 35 9.357 2.392 4.800 1.00 0.00 C ATOM 496 OG SER A 35 9.928 3.249 5.773 1.00 0.00 O ATOM 0 H SER A 35 7.806 1.692 6.635 1.00 0.00 H new ATOM 0 HA SER A 35 7.614 3.608 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.593 1.355 5.040 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.795 2.601 3.824 1.00 0.00 H new ATOM 0 HG SER A 35 10.898 3.114 5.799 1.00 0.00 H new ATOM 502 N LEU A 36 7.089 2.227 2.452 1.00 0.00 N ATOM 503 CA LEU A 36 6.542 1.475 1.328 1.00 0.00 C ATOM 504 C LEU A 36 7.467 1.554 0.118 1.00 0.00 C ATOM 505 O LEU A 36 8.265 2.484 -0.007 1.00 0.00 O ATOM 506 CB LEU A 36 5.155 2.006 0.960 1.00 0.00 C ATOM 507 CG LEU A 36 4.195 2.239 2.127 1.00 0.00 C ATOM 508 CD1 LEU A 36 2.986 3.042 1.671 1.00 0.00 C ATOM 509 CD2 LEU A 36 3.759 0.913 2.733 1.00 0.00 C ATOM 0 H LEU A 36 7.324 3.196 2.237 1.00 0.00 H new ATOM 0 HA LEU A 36 6.456 0.431 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.279 2.947 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.691 1.303 0.268 1.00 0.00 H new ATOM 0 HG LEU A 36 4.718 2.811 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.314 3.198 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.315 4.007 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.462 2.497 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.076 1.099 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.254 0.315 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.634 0.374 3.097 1.00 0.00 H new ATOM 521 N LEU A 37 7.353 0.575 -0.772 1.00 0.00 N ATOM 522 CA LEU A 37 8.178 0.535 -1.975 1.00 0.00 C ATOM 523 C LEU A 37 7.313 0.599 -3.230 1.00 0.00 C ATOM 524 O LEU A 37 6.100 0.405 -3.171 1.00 0.00 O ATOM 525 CB LEU A 37 9.028 -0.736 -1.992 1.00 0.00 C ATOM 526 CG LEU A 37 10.285 -0.715 -1.121 1.00 0.00 C ATOM 527 CD1 LEU A 37 10.855 -2.117 -0.971 1.00 0.00 C ATOM 528 CD2 LEU A 37 11.325 0.227 -1.709 1.00 0.00 C ATOM 0 H LEU A 37 6.698 -0.202 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 37 8.836 1.404 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.404 -1.571 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.327 -0.936 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 37 10.012 -0.350 -0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.749 -2.082 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.112 -2.764 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.113 -2.512 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.213 0.229 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.594 -0.108 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.914 1.235 -1.762 1.00 0.00 H new ATOM 540 N ALA A 38 7.948 0.870 -4.366 1.00 0.00 N ATOM 541 CA ALA A 38 7.238 0.955 -5.636 1.00 0.00 C ATOM 542 C ALA A 38 7.035 -0.428 -6.245 1.00 0.00 C ATOM 543 O ALA A 38 7.970 -1.226 -6.323 1.00 0.00 O ATOM 544 CB ALA A 38 7.992 1.854 -6.604 1.00 0.00 C ATOM 0 H ALA A 38 8.952 1.034 -4.432 1.00 0.00 H new ATOM 0 HA ALA A 38 6.256 1.388 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.450 1.908 -7.548 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.080 2.854 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.987 1.446 -6.780 1.00 0.00 H new ATOM 550 N ASP A 39 5.809 -0.706 -6.676 1.00 0.00 N ATOM 551 CA ASP A 39 5.484 -1.994 -7.279 1.00 0.00 C ATOM 552 C ASP A 39 5.472 -3.099 -6.227 1.00 0.00 C ATOM 553 O ASP A 39 5.979 -4.196 -6.460 1.00 0.00 O ATOM 554 CB ASP A 39 6.489 -2.333 -8.381 1.00 0.00 C ATOM 555 CG ASP A 39 6.736 -1.167 -9.318 1.00 0.00 C ATOM 556 OD1 ASP A 39 7.422 -0.209 -8.905 1.00 0.00 O ATOM 557 OD2 ASP A 39 6.243 -1.213 -10.464 1.00 0.00 O ATOM 0 H ASP A 39 5.024 -0.057 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 39 4.488 -1.922 -7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.432 -2.637 -7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.122 -3.184 -8.954 1.00 0.00 H new ATOM 562 N GLU A 40 4.892 -2.800 -5.069 1.00 0.00 N ATOM 563 CA GLU A 40 4.816 -3.769 -3.981 1.00 0.00 C ATOM 564 C GLU A 40 3.428 -3.767 -3.347 1.00 0.00 C ATOM 565 O GLU A 40 2.882 -2.712 -3.025 1.00 0.00 O ATOM 566 CB GLU A 40 5.874 -3.460 -2.920 1.00 0.00 C ATOM 567 CG GLU A 40 5.385 -2.526 -1.826 1.00 0.00 C ATOM 568 CD GLU A 40 6.353 -2.433 -0.662 1.00 0.00 C ATOM 569 OE1 GLU A 40 7.346 -3.190 -0.654 1.00 0.00 O ATOM 570 OE2 GLU A 40 6.117 -1.602 0.240 1.00 0.00 O ATOM 0 H GLU A 40 4.468 -1.896 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 40 5.005 -4.759 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.206 -4.394 -2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.743 -3.015 -3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.230 -1.532 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.418 -2.873 -1.462 1.00 0.00 H new ATOM 577 N VAL A 41 2.863 -4.957 -3.171 1.00 0.00 N ATOM 578 CA VAL A 41 1.540 -5.094 -2.575 1.00 0.00 C ATOM 579 C VAL A 41 1.632 -5.618 -1.146 1.00 0.00 C ATOM 580 O VAL A 41 2.228 -6.666 -0.896 1.00 0.00 O ATOM 581 CB VAL A 41 0.648 -6.041 -3.400 1.00 0.00 C ATOM 582 CG1 VAL A 41 -0.615 -6.394 -2.628 1.00 0.00 C ATOM 583 CG2 VAL A 41 0.303 -5.412 -4.742 1.00 0.00 C ATOM 0 H VAL A 41 3.301 -5.840 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 41 1.093 -4.100 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 41 1.201 -6.962 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.232 -7.064 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.345 -6.887 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.174 -5.484 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.328 -6.094 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.231 -4.476 -4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.220 -5.215 -5.298 1.00 0.00 H new ATOM 593 N ILE A 42 1.037 -4.883 -0.213 1.00 0.00 N ATOM 594 CA ILE A 42 1.051 -5.274 1.191 1.00 0.00 C ATOM 595 C ILE A 42 -0.365 -5.387 1.744 1.00 0.00 C ATOM 596 O ILE A 42 -1.341 -5.097 1.050 1.00 0.00 O ATOM 597 CB ILE A 42 1.846 -4.271 2.048 1.00 0.00 C ATOM 598 CG1 ILE A 42 1.211 -2.882 1.967 1.00 0.00 C ATOM 599 CG2 ILE A 42 3.298 -4.223 1.595 1.00 0.00 C ATOM 600 CD1 ILE A 42 1.591 -1.975 3.116 1.00 0.00 C ATOM 0 H ILE A 42 0.539 -4.013 -0.404 1.00 0.00 H new ATOM 0 HA ILE A 42 1.538 -6.248 1.242 1.00 0.00 H new ATOM 0 HB ILE A 42 1.820 -4.601 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.507 -2.411 1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.126 -2.988 1.942 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.848 -3.510 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.745 -5.212 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.343 -3.913 0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.104 -1.008 2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.271 -2.425 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.672 -1.838 3.129 1.00 0.00 H new ATOM 612 N THR A 43 -0.473 -5.809 3.000 1.00 0.00 N ATOM 613 CA THR A 43 -1.769 -5.960 3.648 1.00 0.00 C ATOM 614 C THR A 43 -2.230 -4.646 4.269 1.00 0.00 C ATOM 615 O THR A 43 -1.567 -4.098 5.149 1.00 0.00 O ATOM 616 CB THR A 43 -1.729 -7.045 4.741 1.00 0.00 C ATOM 617 OG1 THR A 43 -1.528 -8.332 4.147 1.00 0.00 O ATOM 618 CG2 THR A 43 -3.019 -7.049 5.547 1.00 0.00 C ATOM 0 H THR A 43 0.323 -6.052 3.589 1.00 0.00 H new ATOM 0 HA THR A 43 -2.475 -6.261 2.874 1.00 0.00 H new ATOM 0 HB THR A 43 -0.900 -6.822 5.413 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.502 -9.016 4.849 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.967 -7.823 6.313 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.154 -6.077 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.861 -7.249 4.885 1.00 0.00 H new ATOM 626 N VAL A 44 -3.371 -4.146 3.806 1.00 0.00 N ATOM 627 CA VAL A 44 -3.921 -2.896 4.317 1.00 0.00 C ATOM 628 C VAL A 44 -5.308 -3.110 4.913 1.00 0.00 C ATOM 629 O VAL A 44 -6.129 -3.840 4.357 1.00 0.00 O ATOM 630 CB VAL A 44 -4.009 -1.827 3.212 1.00 0.00 C ATOM 631 CG1 VAL A 44 -2.618 -1.440 2.732 1.00 0.00 C ATOM 632 CG2 VAL A 44 -4.862 -2.326 2.055 1.00 0.00 C ATOM 0 H VAL A 44 -3.933 -4.587 3.078 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.243 -2.547 5.096 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.485 -0.938 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.700 -0.684 1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.043 -1.039 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.113 -2.320 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.913 -1.558 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.417 -3.230 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.867 -2.548 2.413 1.00 0.00 H new ATOM 642 N PHE A 45 -5.564 -2.468 6.048 1.00 0.00 N ATOM 643 CA PHE A 45 -6.852 -2.587 6.721 1.00 0.00 C ATOM 644 C PHE A 45 -7.177 -1.319 7.504 1.00 0.00 C ATOM 645 O PHE A 45 -6.284 -0.660 8.038 1.00 0.00 O ATOM 646 CB PHE A 45 -6.849 -3.794 7.662 1.00 0.00 C ATOM 647 CG PHE A 45 -5.593 -3.917 8.476 1.00 0.00 C ATOM 648 CD1 PHE A 45 -4.369 -4.117 7.860 1.00 0.00 C ATOM 649 CD2 PHE A 45 -5.637 -3.832 9.859 1.00 0.00 C ATOM 650 CE1 PHE A 45 -3.211 -4.230 8.606 1.00 0.00 C ATOM 651 CE2 PHE A 45 -4.483 -3.944 10.610 1.00 0.00 C ATOM 652 CZ PHE A 45 -3.269 -4.144 9.984 1.00 0.00 C ATOM 0 H PHE A 45 -4.896 -1.860 6.521 1.00 0.00 H new ATOM 0 HA PHE A 45 -7.619 -2.729 5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.703 -3.722 8.335 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.982 -4.703 7.075 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.319 -4.186 6.783 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.584 -3.677 10.355 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.263 -4.385 8.113 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.531 -3.875 11.687 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.366 -4.233 10.570 1.00 0.00 H new ATOM 662 N SER A 46 -8.461 -0.981 7.566 1.00 0.00 N ATOM 663 CA SER A 46 -8.904 0.211 8.279 1.00 0.00 C ATOM 664 C SER A 46 -8.965 -0.046 9.782 1.00 0.00 C ATOM 665 O SER A 46 -8.998 -1.194 10.227 1.00 0.00 O ATOM 666 CB SER A 46 -10.278 0.654 7.771 1.00 0.00 C ATOM 667 OG SER A 46 -10.463 2.047 7.951 1.00 0.00 O ATOM 0 H SER A 46 -9.213 -1.516 7.131 1.00 0.00 H new ATOM 0 HA SER A 46 -8.181 1.005 8.092 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.376 0.404 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.059 0.109 8.302 1.00 0.00 H new ATOM 0 HG SER A 46 -11.347 2.305 7.617 1.00 0.00 H new ATOM 673 N VAL A 47 -8.979 1.031 10.560 1.00 0.00 N ATOM 674 CA VAL A 47 -9.037 0.924 12.013 1.00 0.00 C ATOM 675 C VAL A 47 -9.798 2.097 12.621 1.00 0.00 C ATOM 676 O VAL A 47 -9.675 3.234 12.164 1.00 0.00 O ATOM 677 CB VAL A 47 -7.626 0.868 12.628 1.00 0.00 C ATOM 678 CG1 VAL A 47 -7.696 0.445 14.088 1.00 0.00 C ATOM 679 CG2 VAL A 47 -6.736 -0.075 11.833 1.00 0.00 C ATOM 0 H VAL A 47 -8.951 1.988 10.209 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.562 -0.003 12.241 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.189 1.866 12.585 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.690 0.411 14.506 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.297 1.163 14.646 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.152 -0.543 14.159 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.743 -0.103 12.281 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.166 -1.076 11.843 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.660 0.277 10.804 1.00 0.00 H new ATOM 689 N VAL A 48 -10.584 1.814 13.654 1.00 0.00 N ATOM 690 CA VAL A 48 -11.365 2.846 14.327 1.00 0.00 C ATOM 691 C VAL A 48 -10.503 4.060 14.656 1.00 0.00 C ATOM 692 O VAL A 48 -9.477 3.943 15.325 1.00 0.00 O ATOM 693 CB VAL A 48 -11.999 2.313 15.626 1.00 0.00 C ATOM 694 CG1 VAL A 48 -12.409 3.464 16.531 1.00 0.00 C ATOM 695 CG2 VAL A 48 -13.190 1.422 15.310 1.00 0.00 C ATOM 0 H VAL A 48 -10.697 0.878 14.044 1.00 0.00 H new ATOM 0 HA VAL A 48 -12.158 3.142 13.640 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.256 1.714 16.154 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.855 3.068 17.444 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.531 4.058 16.784 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.135 4.092 16.015 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.626 1.054 16.239 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.937 1.995 14.760 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.862 0.578 14.704 1.00 0.00 H new ATOM 705 N GLY A 49 -10.928 5.227 14.180 1.00 0.00 N ATOM 706 CA GLY A 49 -10.184 6.446 14.434 1.00 0.00 C ATOM 707 C GLY A 49 -9.090 6.682 13.411 1.00 0.00 C ATOM 708 O GLY A 49 -8.206 7.512 13.619 1.00 0.00 O ATOM 0 H GLY A 49 -11.774 5.349 13.623 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.869 7.294 14.430 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.742 6.398 15.429 1.00 0.00 H new ATOM 712 N MET A 50 -9.149 5.948 12.305 1.00 0.00 N ATOM 713 CA MET A 50 -8.154 6.081 11.246 1.00 0.00 C ATOM 714 C MET A 50 -8.663 6.993 10.134 1.00 0.00 C ATOM 715 O MET A 50 -9.840 6.951 9.775 1.00 0.00 O ATOM 716 CB MET A 50 -7.800 4.707 10.674 1.00 0.00 C ATOM 717 CG MET A 50 -6.914 4.773 9.441 1.00 0.00 C ATOM 718 SD MET A 50 -5.204 5.186 9.836 1.00 0.00 S ATOM 719 CE MET A 50 -4.466 3.555 9.894 1.00 0.00 C ATOM 0 H MET A 50 -9.874 5.256 12.118 1.00 0.00 H new ATOM 0 HA MET A 50 -7.258 6.528 11.677 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.296 4.121 11.443 1.00 0.00 H new ATOM 0 HB3 MET A 50 -8.720 4.179 10.423 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.942 3.813 8.926 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.313 5.516 8.751 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.487 3.582 9.416 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.355 3.243 10.932 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.107 2.847 9.369 1.00 0.00 H new ATOM 729 N ASP A 51 -7.770 7.814 9.594 1.00 0.00 N ATOM 730 CA ASP A 51 -8.129 8.735 8.522 1.00 0.00 C ATOM 731 C ASP A 51 -8.365 7.983 7.216 1.00 0.00 C ATOM 732 O ASP A 51 -7.757 6.943 6.968 1.00 0.00 O ATOM 733 CB ASP A 51 -7.030 9.782 8.330 1.00 0.00 C ATOM 734 CG ASP A 51 -6.262 10.055 9.608 1.00 0.00 C ATOM 735 OD1 ASP A 51 -5.285 9.325 9.882 1.00 0.00 O ATOM 736 OD2 ASP A 51 -6.636 10.999 10.335 1.00 0.00 O ATOM 0 H ASP A 51 -6.792 7.861 9.881 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.054 9.238 8.804 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.338 9.442 7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.475 10.710 7.971 1.00 0.00 H new ATOM 741 N SER A 52 -9.254 8.517 6.384 1.00 0.00 N ATOM 742 CA SER A 52 -9.575 7.894 5.105 1.00 0.00 C ATOM 743 C SER A 52 -8.376 7.940 4.163 1.00 0.00 C ATOM 744 O SER A 52 -8.347 7.250 3.143 1.00 0.00 O ATOM 745 CB SER A 52 -10.772 8.594 4.459 1.00 0.00 C ATOM 746 OG SER A 52 -10.653 10.003 4.556 1.00 0.00 O ATOM 0 H SER A 52 -9.765 9.380 6.573 1.00 0.00 H new ATOM 0 HA SER A 52 -9.830 6.851 5.291 1.00 0.00 H new ATOM 0 HB2 SER A 52 -10.845 8.303 3.411 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.692 8.269 4.944 1.00 0.00 H new ATOM 0 HG SER A 52 -9.746 10.273 4.303 1.00 0.00 H new ATOM 752 N ASP A 53 -7.388 8.756 4.512 1.00 0.00 N ATOM 753 CA ASP A 53 -6.185 8.892 3.699 1.00 0.00 C ATOM 754 C ASP A 53 -5.029 8.099 4.301 1.00 0.00 C ATOM 755 O ASP A 53 -3.868 8.313 3.953 1.00 0.00 O ATOM 756 CB ASP A 53 -5.795 10.365 3.568 1.00 0.00 C ATOM 757 CG ASP A 53 -6.947 11.229 3.093 1.00 0.00 C ATOM 758 OD1 ASP A 53 -7.934 11.367 3.845 1.00 0.00 O ATOM 759 OD2 ASP A 53 -6.861 11.766 1.968 1.00 0.00 O ATOM 0 H ASP A 53 -7.396 9.334 5.353 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.400 8.492 2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.443 10.732 4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.964 10.457 2.869 1.00 0.00 H new ATOM 764 N TRP A 54 -5.356 7.183 5.206 1.00 0.00 N ATOM 765 CA TRP A 54 -4.345 6.358 5.858 1.00 0.00 C ATOM 766 C TRP A 54 -4.931 5.019 6.291 1.00 0.00 C ATOM 767 O TRP A 54 -5.960 4.969 6.965 1.00 0.00 O ATOM 768 CB TRP A 54 -3.764 7.090 7.069 1.00 0.00 C ATOM 769 CG TRP A 54 -2.956 8.298 6.702 1.00 0.00 C ATOM 770 CD1 TRP A 54 -3.420 9.568 6.513 1.00 0.00 C ATOM 771 CD2 TRP A 54 -1.542 8.347 6.478 1.00 0.00 C ATOM 772 NE1 TRP A 54 -2.380 10.405 6.185 1.00 0.00 N ATOM 773 CE2 TRP A 54 -1.218 9.680 6.158 1.00 0.00 C ATOM 774 CE3 TRP A 54 -0.519 7.396 6.519 1.00 0.00 C ATOM 775 CZ2 TRP A 54 0.086 10.082 5.880 1.00 0.00 C ATOM 776 CZ3 TRP A 54 0.774 7.797 6.242 1.00 0.00 C ATOM 777 CH2 TRP A 54 1.068 9.130 5.927 1.00 0.00 C ATOM 0 H TRP A 54 -6.313 6.993 5.505 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.548 6.169 5.139 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.579 7.393 7.727 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.137 6.401 7.635 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.452 9.871 6.607 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.460 11.404 5.993 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.735 6.366 6.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.314 11.109 5.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.572 7.070 6.269 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.089 9.412 5.717 1.00 0.00 H new ATOM 788 N LEU A 55 -4.270 3.935 5.899 1.00 0.00 N ATOM 789 CA LEU A 55 -4.726 2.594 6.247 1.00 0.00 C ATOM 790 C LEU A 55 -3.706 1.884 7.130 1.00 0.00 C ATOM 791 O LEU A 55 -2.620 2.405 7.383 1.00 0.00 O ATOM 792 CB LEU A 55 -4.978 1.775 4.980 1.00 0.00 C ATOM 793 CG LEU A 55 -6.377 1.891 4.373 1.00 0.00 C ATOM 794 CD1 LEU A 55 -6.401 1.303 2.970 1.00 0.00 C ATOM 795 CD2 LEU A 55 -7.402 1.199 5.260 1.00 0.00 C ATOM 0 H LEU A 55 -3.417 3.959 5.340 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.658 2.687 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.251 2.076 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.788 0.726 5.206 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.637 2.948 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.404 1.394 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.696 1.842 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.120 0.251 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.392 1.291 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.145 0.144 5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.404 1.665 6.245 1.00 0.00 H new ATOM 807 N MET A 56 -4.061 0.691 7.595 1.00 0.00 N ATOM 808 CA MET A 56 -3.174 -0.093 8.447 1.00 0.00 C ATOM 809 C MET A 56 -2.351 -1.074 7.619 1.00 0.00 C ATOM 810 O MET A 56 -2.844 -2.124 7.212 1.00 0.00 O ATOM 811 CB MET A 56 -3.983 -0.851 9.502 1.00 0.00 C ATOM 812 CG MET A 56 -3.243 -1.039 10.816 1.00 0.00 C ATOM 813 SD MET A 56 -1.488 -1.378 10.583 1.00 0.00 S ATOM 814 CE MET A 56 -0.764 -0.247 11.768 1.00 0.00 C ATOM 0 H MET A 56 -4.957 0.246 7.396 1.00 0.00 H new ATOM 0 HA MET A 56 -2.492 0.594 8.947 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.912 -0.313 9.691 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.256 -1.829 9.105 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.358 -0.142 11.425 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.697 -1.861 11.370 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.300 -0.461 11.872 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.896 0.778 11.421 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.255 -0.369 12.734 1.00 0.00 H new ATOM 824 N GLY A 57 -1.092 -0.723 7.373 1.00 0.00 N ATOM 825 CA GLY A 57 -0.221 -1.583 6.594 1.00 0.00 C ATOM 826 C GLY A 57 0.608 -2.509 7.463 1.00 0.00 C ATOM 827 O GLY A 57 0.954 -2.164 8.592 1.00 0.00 O ATOM 0 H GLY A 57 -0.660 0.142 7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.823 -2.177 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.443 -0.968 5.987 1.00 0.00 H new ATOM 831 N GLU A 58 0.925 -3.687 6.935 1.00 0.00 N ATOM 832 CA GLU A 58 1.716 -4.665 7.673 1.00 0.00 C ATOM 833 C GLU A 58 2.772 -5.301 6.773 1.00 0.00 C ATOM 834 O GLU A 58 2.450 -6.075 5.871 1.00 0.00 O ATOM 835 CB GLU A 58 0.809 -5.750 8.258 1.00 0.00 C ATOM 836 CG GLU A 58 1.536 -6.723 9.171 1.00 0.00 C ATOM 837 CD GLU A 58 0.645 -7.855 9.645 1.00 0.00 C ATOM 838 OE1 GLU A 58 -0.273 -7.590 10.448 1.00 0.00 O ATOM 839 OE2 GLU A 58 0.866 -9.006 9.213 1.00 0.00 O ATOM 0 H GLU A 58 0.647 -3.987 6.001 1.00 0.00 H new ATOM 0 HA GLU A 58 2.222 -4.146 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.002 -5.275 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.348 -6.306 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.395 -7.138 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.923 -6.184 10.036 1.00 0.00 H new ATOM 846 N ARG A 59 4.033 -4.967 7.024 1.00 0.00 N ATOM 847 CA ARG A 59 5.137 -5.502 6.236 1.00 0.00 C ATOM 848 C ARG A 59 6.026 -6.403 7.088 1.00 0.00 C ATOM 849 O ARG A 59 6.611 -5.961 8.076 1.00 0.00 O ATOM 850 CB ARG A 59 5.967 -4.363 5.642 1.00 0.00 C ATOM 851 CG ARG A 59 6.616 -4.712 4.312 1.00 0.00 C ATOM 852 CD ARG A 59 7.333 -3.513 3.711 1.00 0.00 C ATOM 853 NE ARG A 59 8.726 -3.435 4.141 1.00 0.00 N ATOM 854 CZ ARG A 59 9.476 -2.347 4.010 1.00 0.00 C ATOM 855 NH1 ARG A 59 8.969 -1.250 3.464 1.00 0.00 N ATOM 856 NH2 ARG A 59 10.736 -2.353 4.427 1.00 0.00 N ATOM 0 H ARG A 59 4.316 -4.328 7.767 1.00 0.00 H new ATOM 0 HA ARG A 59 4.717 -6.097 5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.327 -3.491 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.744 -4.082 6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.325 -5.527 4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.856 -5.069 3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.292 -3.574 2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.813 -2.599 3.998 1.00 0.00 H new ATOM 0 HE ARG A 59 9.146 -4.262 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.001 -1.241 3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.547 -0.416 3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.130 -3.194 4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.311 -1.516 4.326 1.00 0.00 H new ATOM 870 N GLY A 60 6.122 -7.671 6.698 1.00 0.00 N ATOM 871 CA GLY A 60 6.941 -8.614 7.437 1.00 0.00 C ATOM 872 C GLY A 60 6.586 -8.660 8.910 1.00 0.00 C ATOM 873 O GLY A 60 5.549 -9.203 9.289 1.00 0.00 O ATOM 0 H GLY A 60 5.647 -8.061 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.823 -9.608 7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.991 -8.342 7.328 1.00 0.00 H new ATOM 877 N ASN A 61 7.450 -8.090 9.744 1.00 0.00 N ATOM 878 CA ASN A 61 7.223 -8.070 11.184 1.00 0.00 C ATOM 879 C ASN A 61 7.080 -6.639 11.693 1.00 0.00 C ATOM 880 O ASN A 61 7.634 -6.281 12.732 1.00 0.00 O ATOM 881 CB ASN A 61 8.373 -8.769 11.912 1.00 0.00 C ATOM 882 CG ASN A 61 8.330 -10.276 11.749 1.00 0.00 C ATOM 883 OD1 ASN A 61 7.538 -10.804 10.969 1.00 0.00 O ATOM 884 ND2 ASN A 61 9.184 -10.975 12.487 1.00 0.00 N ATOM 0 H ASN A 61 8.314 -7.636 9.447 1.00 0.00 H new ATOM 0 HA ASN A 61 6.295 -8.603 11.387 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.322 -8.392 11.532 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.333 -8.520 12.972 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.201 -11.993 12.420 1.00 0.00 H new ATOM 0 HD22 ASN A 61 9.823 -10.494 13.121 1.00 0.00 H new ATOM 891 N GLN A 62 6.332 -5.826 10.953 1.00 0.00 N ATOM 892 CA GLN A 62 6.116 -4.434 11.329 1.00 0.00 C ATOM 893 C GLN A 62 4.687 -4.001 11.016 1.00 0.00 C ATOM 894 O GLN A 62 3.966 -4.683 10.289 1.00 0.00 O ATOM 895 CB GLN A 62 7.108 -3.527 10.600 1.00 0.00 C ATOM 896 CG GLN A 62 8.541 -3.677 11.086 1.00 0.00 C ATOM 897 CD GLN A 62 9.483 -2.681 10.440 1.00 0.00 C ATOM 898 OE1 GLN A 62 9.228 -1.476 10.441 1.00 0.00 O ATOM 899 NE2 GLN A 62 10.581 -3.179 9.882 1.00 0.00 N ATOM 0 H GLN A 62 5.866 -6.107 10.090 1.00 0.00 H new ATOM 0 HA GLN A 62 6.276 -4.345 12.404 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.070 -3.745 9.533 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.798 -2.489 10.724 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.569 -3.549 12.168 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.888 -4.689 10.876 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.753 -4.184 9.904 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.252 -2.556 9.432 1.00 0.00 H new ATOM 908 N LYS A 63 4.285 -2.863 11.571 1.00 0.00 N ATOM 909 CA LYS A 63 2.942 -2.337 11.351 1.00 0.00 C ATOM 910 C LYS A 63 2.923 -0.818 11.492 1.00 0.00 C ATOM 911 O LYS A 63 3.660 -0.250 12.297 1.00 0.00 O ATOM 912 CB LYS A 63 1.958 -2.964 12.341 1.00 0.00 C ATOM 913 CG LYS A 63 1.389 -4.292 11.874 1.00 0.00 C ATOM 914 CD LYS A 63 0.022 -4.558 12.483 1.00 0.00 C ATOM 915 CE LYS A 63 0.094 -4.636 14.000 1.00 0.00 C ATOM 916 NZ LYS A 63 0.469 -5.999 14.468 1.00 0.00 N ATOM 0 H LYS A 63 4.870 -2.287 12.177 1.00 0.00 H new ATOM 0 HA LYS A 63 2.640 -2.594 10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.461 -3.110 13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.138 -2.268 12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.310 -4.293 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.072 -5.097 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.668 -3.767 12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.378 -5.492 12.088 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.823 -3.913 14.367 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.871 -4.359 14.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.507 -6.011 15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.240 -6.686 14.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.402 -6.253 14.084 1.00 0.00 H new ATOM 930 N GLY A 64 2.074 -0.166 10.704 1.00 0.00 N ATOM 931 CA GLY A 64 1.974 1.281 10.758 1.00 0.00 C ATOM 932 C GLY A 64 0.933 1.826 9.800 1.00 0.00 C ATOM 933 O GLY A 64 0.207 1.065 9.160 1.00 0.00 O ATOM 0 H GLY A 64 1.454 -0.614 10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.724 1.587 11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.944 1.718 10.523 1.00 0.00 H new ATOM 937 N LYS A 65 0.857 3.149 9.702 1.00 0.00 N ATOM 938 CA LYS A 65 -0.103 3.797 8.817 1.00 0.00 C ATOM 939 C LYS A 65 0.473 3.957 7.413 1.00 0.00 C ATOM 940 O LYS A 65 1.652 4.269 7.247 1.00 0.00 O ATOM 941 CB LYS A 65 -0.500 5.166 9.375 1.00 0.00 C ATOM 942 CG LYS A 65 -1.159 5.097 10.741 1.00 0.00 C ATOM 943 CD LYS A 65 -2.062 6.295 10.985 1.00 0.00 C ATOM 944 CE LYS A 65 -1.305 7.605 10.832 1.00 0.00 C ATOM 945 NZ LYS A 65 -1.931 8.703 11.618 1.00 0.00 N ATOM 0 H LYS A 65 1.449 3.794 10.225 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.989 3.164 8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.389 5.794 9.441 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.182 5.650 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.742 4.179 10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.392 5.055 11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.896 6.272 10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.486 6.234 11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.274 7.468 11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.273 7.885 9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.385 9.579 11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.907 8.851 11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.939 8.448 12.626 1.00 0.00 H new ATOM 959 N VAL A 66 -0.367 3.741 6.406 1.00 0.00 N ATOM 960 CA VAL A 66 0.058 3.864 5.016 1.00 0.00 C ATOM 961 C VAL A 66 -0.875 4.782 4.235 1.00 0.00 C ATOM 962 O VAL A 66 -2.099 4.677 4.314 1.00 0.00 O ATOM 963 CB VAL A 66 0.108 2.490 4.322 1.00 0.00 C ATOM 964 CG1 VAL A 66 1.202 1.624 4.929 1.00 0.00 C ATOM 965 CG2 VAL A 66 -1.243 1.797 4.413 1.00 0.00 C ATOM 0 H VAL A 66 -1.346 3.480 6.526 1.00 0.00 H new ATOM 0 HA VAL A 66 1.059 4.294 5.028 1.00 0.00 H new ATOM 0 HB VAL A 66 0.342 2.644 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.222 0.657 4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.166 2.117 4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.002 1.476 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.189 0.828 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.509 1.655 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.001 2.411 3.927 1.00 0.00 H new ATOM 975 N PRO A 67 -0.285 5.705 3.461 1.00 0.00 N ATOM 976 CA PRO A 67 -1.045 6.660 2.649 1.00 0.00 C ATOM 977 C PRO A 67 -1.754 5.989 1.477 1.00 0.00 C ATOM 978 O PRO A 67 -1.115 5.385 0.615 1.00 0.00 O ATOM 979 CB PRO A 67 0.028 7.626 2.141 1.00 0.00 C ATOM 980 CG PRO A 67 1.290 6.834 2.157 1.00 0.00 C ATOM 981 CD PRO A 67 1.169 5.887 3.318 1.00 0.00 C ATOM 0 HA PRO A 67 -1.837 7.143 3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.203 7.982 1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.104 8.505 2.781 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.421 6.290 1.222 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.157 7.484 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.674 4.942 3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.613 6.302 4.223 1.00 0.00 H new ATOM 989 N ILE A 68 -3.078 6.098 1.453 1.00 0.00 N ATOM 990 CA ILE A 68 -3.874 5.503 0.386 1.00 0.00 C ATOM 991 C ILE A 68 -3.499 6.089 -0.971 1.00 0.00 C ATOM 992 O ILE A 68 -3.543 5.401 -1.992 1.00 0.00 O ATOM 993 CB ILE A 68 -5.381 5.711 0.624 1.00 0.00 C ATOM 994 CG1 ILE A 68 -5.895 4.722 1.673 1.00 0.00 C ATOM 995 CG2 ILE A 68 -6.150 5.556 -0.679 1.00 0.00 C ATOM 996 CD1 ILE A 68 -5.726 5.208 3.095 1.00 0.00 C ATOM 0 H ILE A 68 -3.622 6.593 2.160 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.659 4.434 0.390 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.538 6.723 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.951 4.525 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.369 3.775 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.214 5.706 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.799 6.296 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.989 4.555 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.112 4.457 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.669 5.378 3.298 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.276 6.140 3.229 1.00 0.00 H new ATOM 1008 N THR A 69 -3.130 7.366 -0.977 1.00 0.00 N ATOM 1009 CA THR A 69 -2.747 8.046 -2.208 1.00 0.00 C ATOM 1010 C THR A 69 -1.580 7.338 -2.887 1.00 0.00 C ATOM 1011 O THR A 69 -1.355 7.502 -4.086 1.00 0.00 O ATOM 1012 CB THR A 69 -2.358 9.513 -1.942 1.00 0.00 C ATOM 1013 OG1 THR A 69 -1.688 9.621 -0.682 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.588 10.408 -1.948 1.00 0.00 C ATOM 0 H THR A 69 -3.088 7.951 -0.142 1.00 0.00 H new ATOM 0 HA THR A 69 -3.616 8.022 -2.866 1.00 0.00 H new ATOM 0 HB THR A 69 -1.688 9.839 -2.738 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.443 10.556 -0.521 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.289 11.439 -1.758 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.079 10.346 -2.919 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.279 10.082 -1.171 1.00 0.00 H new ATOM 1022 N TYR A 70 -0.842 6.550 -2.114 1.00 0.00 N ATOM 1023 CA TYR A 70 0.304 5.817 -2.641 1.00 0.00 C ATOM 1024 C TYR A 70 -0.062 4.363 -2.922 1.00 0.00 C ATOM 1025 O TYR A 70 0.685 3.639 -3.581 1.00 0.00 O ATOM 1026 CB TYR A 70 1.472 5.879 -1.656 1.00 0.00 C ATOM 1027 CG TYR A 70 2.194 7.207 -1.656 1.00 0.00 C ATOM 1028 CD1 TYR A 70 1.540 8.377 -1.289 1.00 0.00 C ATOM 1029 CD2 TYR A 70 3.532 7.293 -2.021 1.00 0.00 C ATOM 1030 CE1 TYR A 70 2.196 9.593 -1.288 1.00 0.00 C ATOM 1031 CE2 TYR A 70 4.197 8.504 -2.022 1.00 0.00 C ATOM 1032 CZ TYR A 70 3.524 9.651 -1.655 1.00 0.00 C ATOM 1033 OH TYR A 70 4.181 10.860 -1.654 1.00 0.00 O ATOM 0 H TYR A 70 -1.016 6.402 -1.120 1.00 0.00 H new ATOM 0 HA TYR A 70 0.603 6.285 -3.579 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.100 5.677 -0.651 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.183 5.089 -1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.500 8.335 -0.999 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.062 6.397 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.672 10.493 -1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.237 8.552 -2.308 1.00 0.00 H new ATOM 0 HH TYR A 70 5.110 10.728 -1.936 1.00 0.00 H new ATOM 1043 N LEU A 71 -1.218 3.943 -2.419 1.00 0.00 N ATOM 1044 CA LEU A 71 -1.686 2.575 -2.616 1.00 0.00 C ATOM 1045 C LEU A 71 -2.840 2.533 -3.612 1.00 0.00 C ATOM 1046 O LEU A 71 -3.649 3.458 -3.678 1.00 0.00 O ATOM 1047 CB LEU A 71 -2.125 1.968 -1.283 1.00 0.00 C ATOM 1048 CG LEU A 71 -1.255 2.309 -0.072 1.00 0.00 C ATOM 1049 CD1 LEU A 71 -2.091 2.322 1.199 1.00 0.00 C ATOM 1050 CD2 LEU A 71 -0.106 1.319 0.054 1.00 0.00 C ATOM 0 H LEU A 71 -1.848 4.530 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.860 1.989 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.144 2.294 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.153 0.884 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.837 3.305 -0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.455 2.566 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.879 3.069 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.538 1.340 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.503 1.577 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.505 0.312 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.508 1.358 -0.845 1.00 0.00 H new ATOM 1062 N GLU A 72 -2.911 1.452 -4.383 1.00 0.00 N ATOM 1063 CA GLU A 72 -3.968 1.290 -5.374 1.00 0.00 C ATOM 1064 C GLU A 72 -4.698 -0.036 -5.179 1.00 0.00 C ATOM 1065 O GLU A 72 -4.399 -1.027 -5.846 1.00 0.00 O ATOM 1066 CB GLU A 72 -3.387 1.361 -6.788 1.00 0.00 C ATOM 1067 CG GLU A 72 -4.335 0.852 -7.862 1.00 0.00 C ATOM 1068 CD GLU A 72 -4.016 1.413 -9.234 1.00 0.00 C ATOM 1069 OE1 GLU A 72 -3.422 2.509 -9.303 1.00 0.00 O ATOM 1070 OE2 GLU A 72 -4.361 0.756 -10.239 1.00 0.00 O ATOM 0 H GLU A 72 -2.250 0.677 -4.340 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.683 2.102 -5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.120 2.394 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.466 0.779 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.287 -0.236 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.358 1.117 -7.594 1.00 0.00 H new ATOM 1077 N LEU A 73 -5.656 -0.047 -4.259 1.00 0.00 N ATOM 1078 CA LEU A 73 -6.430 -1.250 -3.974 1.00 0.00 C ATOM 1079 C LEU A 73 -6.770 -1.996 -5.260 1.00 0.00 C ATOM 1080 O LEU A 73 -7.611 -1.553 -6.044 1.00 0.00 O ATOM 1081 CB LEU A 73 -7.714 -0.889 -3.225 1.00 0.00 C ATOM 1082 CG LEU A 73 -7.544 -0.004 -1.989 1.00 0.00 C ATOM 1083 CD1 LEU A 73 -8.839 0.056 -1.195 1.00 0.00 C ATOM 1084 CD2 LEU A 73 -6.406 -0.516 -1.119 1.00 0.00 C ATOM 0 H LEU A 73 -5.916 0.764 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.823 -1.903 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.386 -0.384 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.205 -1.813 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.296 1.005 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.700 0.690 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.630 0.470 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.117 -0.948 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.300 0.126 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.624 -1.534 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.478 -0.507 -1.691 1.00 0.00 H new ATOM 1096 N LEU A 74 -6.114 -3.132 -5.470 1.00 0.00 N ATOM 1097 CA LEU A 74 -6.348 -3.942 -6.661 1.00 0.00 C ATOM 1098 C LEU A 74 -7.728 -4.591 -6.615 1.00 0.00 C ATOM 1099 O LEU A 74 -8.311 -4.757 -5.544 1.00 0.00 O ATOM 1100 CB LEU A 74 -5.270 -5.019 -6.790 1.00 0.00 C ATOM 1101 CG LEU A 74 -3.834 -4.565 -6.524 1.00 0.00 C ATOM 1102 CD1 LEU A 74 -2.962 -5.751 -6.140 1.00 0.00 C ATOM 1103 CD2 LEU A 74 -3.264 -3.856 -7.744 1.00 0.00 C ATOM 0 H LEU A 74 -5.416 -3.513 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.303 -3.286 -7.531 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.508 -5.828 -6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.318 -5.435 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.844 -3.862 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.944 -5.409 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.358 -6.217 -5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.958 -6.478 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.242 -3.540 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.268 -4.537 -8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.874 -2.983 -7.975 1.00 0.00 H new