USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 590 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 54 ASN :FLIP amide:sc= -2.36! C(o=-1.3!,f=-0.4!) USER MOD Set 1.2: A 93 SER OG : rot -46:sc= 0.75 USER MOD Set 1.3: A 98 SER OG : rot 22:sc= 1.21 USER MOD Set 2.1: A 31 SER OG : rot -66:sc= 1.17 USER MOD Set 2.2: A 104 SER OG : rot -115:sc= 2.32 USER MOD Single : A 35 HIS : no HD1:sc= -0.312 K(o=-0.31,f=-1.2!) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.03! C(o=-6.8!,f=-3!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.164 F(o=-3.3!,f=-0.16) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -3.06! C(o=-6.3!,f=-3.1!) USER MOD Single : A 68 THR OG1 : rot 46:sc= 0.904 USER MOD Single : A 71 THR OG1 : rot -68:sc= 1.28 USER MOD Single : A 80 SER OG : rot -90:sc= -0.08 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 48:sc= -0.0398 USER MOD Single : A 92 THR OG1 : rot 57:sc= 1.22 USER MOD Single : A 94 SER OG : rot 180:sc= 0.255 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 170:sc= -1.11 USER MOD Single : A 101 THR OG1 : rot 160:sc= 0.37 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN :FLIP amide:sc= -4.07 F(o=-6.8!,f=-4.1) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -13.241 2.435 3.994 1.00 0.00 N ATOM 213 CA GLU A 28 -11.787 2.190 3.910 1.00 0.00 C ATOM 214 C GLU A 28 -11.352 2.825 2.594 1.00 0.00 C ATOM 215 O GLU A 28 -11.172 4.022 2.495 1.00 0.00 O ATOM 216 CB GLU A 28 -11.591 0.666 3.927 1.00 0.00 C ATOM 217 CG GLU A 28 -11.824 0.193 5.372 1.00 0.00 C ATOM 218 CD GLU A 28 -11.721 -1.333 5.463 1.00 0.00 C ATOM 219 OE1 GLU A 28 -11.207 -1.911 4.520 1.00 0.00 O ATOM 220 OE2 GLU A 28 -12.156 -1.833 6.486 1.00 0.00 O ATOM 0 HA GLU A 28 -11.200 2.610 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.290 0.181 3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.587 0.404 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.090 0.653 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.807 0.518 5.713 1.00 0.00 H new ATOM 227 N VAL A 29 -11.111 1.970 1.649 1.00 0.00 N ATOM 228 CA VAL A 29 -10.743 2.427 0.274 1.00 0.00 C ATOM 229 C VAL A 29 -10.907 1.324 -0.751 1.00 0.00 C ATOM 230 O VAL A 29 -11.846 1.292 -1.521 1.00 0.00 O ATOM 231 CB VAL A 29 -9.320 2.970 0.159 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.877 2.890 -1.309 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.360 4.458 0.497 1.00 0.00 C ATOM 0 H VAL A 29 -11.152 0.958 1.766 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.437 3.243 0.072 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.655 2.407 0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.862 3.275 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.904 1.852 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.550 3.486 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.356 4.875 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.019 4.972 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.734 4.591 1.512 1.00 0.00 H new ATOM 243 N GLU A 30 -9.949 0.439 -0.710 1.00 0.00 N ATOM 244 CA GLU A 30 -9.961 -0.671 -1.698 1.00 0.00 C ATOM 245 C GLU A 30 -9.653 -2.033 -1.084 1.00 0.00 C ATOM 246 O GLU A 30 -8.598 -2.266 -0.529 1.00 0.00 O ATOM 247 CB GLU A 30 -8.921 -0.346 -2.771 1.00 0.00 C ATOM 248 CG GLU A 30 -8.881 -1.472 -3.804 1.00 0.00 C ATOM 249 CD GLU A 30 -8.040 -1.008 -4.996 1.00 0.00 C ATOM 250 OE1 GLU A 30 -6.829 -1.087 -4.866 1.00 0.00 O ATOM 251 OE2 GLU A 30 -8.658 -0.590 -5.961 1.00 0.00 O ATOM 0 H GLU A 30 -9.173 0.436 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.967 -0.746 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.168 0.598 -3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.939 -0.223 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.452 -2.373 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.891 -1.725 -4.128 1.00 0.00 H new ATOM 258 N SER A 31 -10.625 -2.892 -1.197 1.00 0.00 N ATOM 259 CA SER A 31 -10.457 -4.282 -0.685 1.00 0.00 C ATOM 260 C SER A 31 -10.109 -5.208 -1.856 1.00 0.00 C ATOM 261 O SER A 31 -10.940 -5.510 -2.690 1.00 0.00 O ATOM 262 CB SER A 31 -11.758 -4.755 -0.041 1.00 0.00 C ATOM 263 OG SER A 31 -12.127 -3.679 0.808 1.00 0.00 O ATOM 0 H SER A 31 -11.531 -2.693 -1.622 1.00 0.00 H new ATOM 0 HA SER A 31 -9.659 -4.302 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.525 -4.955 -0.789 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.613 -5.677 0.522 1.00 0.00 H new ATOM 0 HG SER A 31 -11.465 -3.586 1.525 1.00 0.00 H new ATOM 269 N LEU A 32 -8.875 -5.633 -1.881 1.00 0.00 N ATOM 270 CA LEU A 32 -8.416 -6.532 -2.982 1.00 0.00 C ATOM 271 C LEU A 32 -7.894 -7.889 -2.487 1.00 0.00 C ATOM 272 O LEU A 32 -7.076 -7.978 -1.592 1.00 0.00 O ATOM 273 CB LEU A 32 -7.294 -5.829 -3.752 1.00 0.00 C ATOM 274 CG LEU A 32 -7.905 -4.836 -4.750 1.00 0.00 C ATOM 275 CD1 LEU A 32 -6.772 -4.020 -5.377 1.00 0.00 C ATOM 276 CD2 LEU A 32 -8.617 -5.612 -5.864 1.00 0.00 C ATOM 0 H LEU A 32 -8.164 -5.398 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.282 -6.733 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.635 -5.306 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.685 -6.563 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.614 -4.184 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.188 -3.308 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.237 -3.481 -4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.084 -4.690 -5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.053 -4.910 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.899 -6.251 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.406 -6.227 -5.432 1.00 0.00 H new ATOM 288 N LEU A 33 -8.395 -8.924 -3.103 1.00 0.00 N ATOM 289 CA LEU A 33 -7.959 -10.302 -2.745 1.00 0.00 C ATOM 290 C LEU A 33 -6.981 -10.808 -3.808 1.00 0.00 C ATOM 291 O LEU A 33 -7.239 -10.720 -4.992 1.00 0.00 O ATOM 292 CB LEU A 33 -9.198 -11.205 -2.693 1.00 0.00 C ATOM 293 CG LEU A 33 -9.935 -11.147 -4.040 1.00 0.00 C ATOM 294 CD1 LEU A 33 -9.647 -12.429 -4.828 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.440 -11.063 -3.773 1.00 0.00 C ATOM 0 H LEU A 33 -9.093 -8.873 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.462 -10.309 -1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.904 -12.231 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.861 -10.884 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.601 -10.279 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.168 -12.393 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.574 -12.516 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.994 -13.292 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.976 -11.021 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.760 -11.942 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.657 -10.166 -3.194 1.00 0.00 H new ATOM 307 N VAL A 34 -5.866 -11.312 -3.353 1.00 0.00 N ATOM 308 CA VAL A 34 -4.838 -11.822 -4.304 1.00 0.00 C ATOM 309 C VAL A 34 -4.337 -13.211 -3.898 1.00 0.00 C ATOM 310 O VAL A 34 -4.560 -13.672 -2.795 1.00 0.00 O ATOM 311 CB VAL A 34 -3.655 -10.838 -4.317 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.694 -10.040 -5.624 1.00 0.00 C ATOM 313 CG2 VAL A 34 -3.779 -9.860 -3.143 1.00 0.00 C ATOM 0 H VAL A 34 -5.623 -11.392 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.287 -11.905 -5.294 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.720 -11.393 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.860 -9.338 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.616 -10.723 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.633 -9.490 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.939 -9.166 -3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.712 -9.303 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.775 -10.415 -2.205 1.00 0.00 H new ATOM 323 N HIS A 35 -3.632 -13.838 -4.799 1.00 0.00 N ATOM 324 CA HIS A 35 -3.109 -15.202 -4.499 1.00 0.00 C ATOM 325 C HIS A 35 -1.577 -15.213 -4.557 1.00 0.00 C ATOM 326 O HIS A 35 -0.963 -14.291 -5.058 1.00 0.00 O ATOM 327 CB HIS A 35 -3.678 -16.170 -5.539 1.00 0.00 C ATOM 328 CG HIS A 35 -5.074 -15.697 -5.951 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.320 -14.790 -6.839 1.00 0.00 N ATOM 330 CD2 HIS A 35 -6.324 -16.085 -5.503 1.00 0.00 C ATOM 331 CE1 HIS A 35 -6.599 -14.621 -6.945 1.00 0.00 C ATOM 332 NE2 HIS A 35 -7.263 -15.406 -6.132 1.00 0.00 N ATOM 0 H HIS A 35 -3.397 -13.470 -5.721 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.411 -15.502 -3.496 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.024 -16.214 -6.410 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.729 -17.178 -5.127 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.505 -16.835 -4.748 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.063 -13.918 -7.621 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.274 -15.476 -6.013 1.00 0.00 H new ATOM 340 N PRO A 36 -1.002 -16.267 -4.037 1.00 0.00 N ATOM 341 CA PRO A 36 0.463 -16.351 -3.832 1.00 0.00 C ATOM 342 C PRO A 36 1.217 -16.088 -5.138 1.00 0.00 C ATOM 343 O PRO A 36 1.207 -16.899 -6.044 1.00 0.00 O ATOM 344 CB PRO A 36 0.712 -17.776 -3.320 1.00 0.00 C ATOM 345 CG PRO A 36 -0.678 -18.383 -2.975 1.00 0.00 C ATOM 346 CD PRO A 36 -1.748 -17.476 -3.612 1.00 0.00 C ATOM 0 HA PRO A 36 0.821 -15.601 -3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.218 -18.375 -4.077 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.356 -17.763 -2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.759 -19.400 -3.359 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.815 -18.438 -1.895 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.229 -17.964 -4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.534 -17.228 -2.899 1.00 0.00 H new ATOM 354 N GLY A 37 1.849 -14.948 -5.198 1.00 0.00 N ATOM 355 CA GLY A 37 2.611 -14.592 -6.430 1.00 0.00 C ATOM 356 C GLY A 37 1.734 -13.836 -7.436 1.00 0.00 C ATOM 357 O GLY A 37 1.651 -14.219 -8.586 1.00 0.00 O ATOM 0 H GLY A 37 1.871 -14.251 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.471 -13.978 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.999 -15.499 -6.894 1.00 0.00 H new ATOM 361 N ASP A 38 1.096 -12.784 -6.995 1.00 0.00 N ATOM 362 CA ASP A 38 0.225 -12.013 -7.932 1.00 0.00 C ATOM 363 C ASP A 38 0.525 -10.506 -7.880 1.00 0.00 C ATOM 364 O ASP A 38 1.351 -10.044 -7.114 1.00 0.00 O ATOM 365 CB ASP A 38 -1.235 -12.267 -7.536 1.00 0.00 C ATOM 366 CG ASP A 38 -2.157 -11.871 -8.694 1.00 0.00 C ATOM 367 OD1 ASP A 38 -2.324 -12.713 -9.560 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.639 -10.750 -8.645 1.00 0.00 O ATOM 0 H ASP A 38 1.138 -12.428 -6.040 1.00 0.00 H new ATOM 0 HA ASP A 38 0.418 -12.344 -8.952 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.377 -13.319 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.486 -11.692 -6.645 1.00 0.00 H new ATOM 373 N LEU A 39 -0.175 -9.782 -8.715 1.00 0.00 N ATOM 374 CA LEU A 39 0.008 -8.305 -8.778 1.00 0.00 C ATOM 375 C LEU A 39 -1.150 -7.586 -8.078 1.00 0.00 C ATOM 376 O LEU A 39 -2.291 -7.674 -8.486 1.00 0.00 O ATOM 377 CB LEU A 39 0.046 -7.879 -10.251 1.00 0.00 C ATOM 378 CG LEU A 39 0.844 -8.908 -11.063 1.00 0.00 C ATOM 379 CD1 LEU A 39 0.860 -8.469 -12.530 1.00 0.00 C ATOM 380 CD2 LEU A 39 2.285 -8.954 -10.548 1.00 0.00 C ATOM 0 H LEU A 39 -0.871 -10.156 -9.360 1.00 0.00 H new ATOM 0 HA LEU A 39 0.938 -8.039 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.968 -7.798 -10.643 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.503 -6.894 -10.344 1.00 0.00 H new ATOM 0 HG LEU A 39 0.386 -9.892 -10.965 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.424 -9.191 -13.120 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.162 -8.414 -12.904 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.329 -7.489 -12.611 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.854 -9.684 -11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.742 -7.970 -10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.287 -9.240 -9.496 1.00 0.00 H new ATOM 392 N LEU A 40 -0.804 -6.892 -7.030 1.00 0.00 N ATOM 393 CA LEU A 40 -1.822 -6.125 -6.249 1.00 0.00 C ATOM 394 C LEU A 40 -1.408 -4.647 -6.168 1.00 0.00 C ATOM 395 O LEU A 40 -0.263 -4.342 -5.907 1.00 0.00 O ATOM 396 CB LEU A 40 -1.897 -6.737 -4.837 1.00 0.00 C ATOM 397 CG LEU A 40 -2.178 -5.636 -3.802 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.595 -5.089 -4.007 1.00 0.00 C ATOM 399 CD2 LEU A 40 -2.093 -6.235 -2.400 1.00 0.00 C ATOM 0 H LEU A 40 0.150 -6.821 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.797 -6.180 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.683 -7.492 -4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.960 -7.240 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.448 -4.836 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.793 -4.308 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.683 -4.674 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.318 -5.896 -3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.291 -5.459 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.831 -7.030 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.095 -6.644 -2.239 1.00 0.00 H new ATOM 411 N GLN A 41 -2.337 -3.757 -6.395 1.00 0.00 N ATOM 412 CA GLN A 41 -1.976 -2.309 -6.328 1.00 0.00 C ATOM 413 C GLN A 41 -2.958 -1.491 -5.479 1.00 0.00 C ATOM 414 O GLN A 41 -4.154 -1.706 -5.509 1.00 0.00 O ATOM 415 CB GLN A 41 -1.956 -1.730 -7.750 1.00 0.00 C ATOM 416 CG GLN A 41 -1.256 -2.716 -8.698 1.00 0.00 C ATOM 417 CD GLN A 41 -2.216 -3.848 -9.095 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.455 -3.823 -8.682 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -1.841 -4.768 -9.793 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.311 -3.962 -6.619 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.995 -2.242 -5.857 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.974 -1.542 -8.091 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.436 -0.772 -7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.913 -2.192 -9.590 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.373 -3.132 -8.213 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.876 -4.798 -10.122 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.491 -5.510 -10.051 1.00 0.00 H new ATOM 428 N LEU A 42 -2.403 -0.566 -4.741 1.00 0.00 N ATOM 429 CA LEU A 42 -3.228 0.332 -3.880 1.00 0.00 C ATOM 430 C LEU A 42 -2.865 1.767 -4.256 1.00 0.00 C ATOM 431 O LEU A 42 -1.721 2.148 -4.122 1.00 0.00 O ATOM 432 CB LEU A 42 -2.892 0.105 -2.390 1.00 0.00 C ATOM 433 CG LEU A 42 -1.595 -0.704 -2.234 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.978 -0.396 -0.858 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.935 -2.195 -2.284 1.00 0.00 C ATOM 0 H LEU A 42 -1.399 -0.392 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.289 0.131 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.788 1.066 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.714 -0.422 -1.905 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.898 -0.444 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.056 -0.965 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.758 0.669 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.682 -0.674 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.022 -2.780 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.622 -2.439 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.404 -2.429 -3.240 1.00 0.00 H new ATOM 447 N ARG A 43 -3.827 2.514 -4.730 1.00 0.00 N ATOM 448 CA ARG A 43 -3.536 3.922 -5.132 1.00 0.00 C ATOM 449 C ARG A 43 -4.088 4.938 -4.141 1.00 0.00 C ATOM 450 O ARG A 43 -5.278 5.057 -3.927 1.00 0.00 O ATOM 451 CB ARG A 43 -4.146 4.173 -6.517 1.00 0.00 C ATOM 452 CG ARG A 43 -4.178 5.689 -6.792 1.00 0.00 C ATOM 453 CD ARG A 43 -3.517 5.993 -8.141 1.00 0.00 C ATOM 454 NE ARG A 43 -3.751 4.847 -9.064 1.00 0.00 N ATOM 455 CZ ARG A 43 -4.728 4.899 -9.929 1.00 0.00 C ATOM 456 NH1 ARG A 43 -4.446 5.099 -11.186 1.00 0.00 N ATOM 457 NH2 ARG A 43 -5.954 4.748 -9.506 1.00 0.00 N ATOM 0 H ARG A 43 -4.794 2.214 -4.856 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.454 4.049 -5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.560 3.665 -7.283 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.155 3.762 -6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.208 6.044 -6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.659 6.222 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.930 6.908 -8.565 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.448 6.157 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.150 4.024 -9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.476 5.212 -11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.196 5.143 -11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.136 4.592 -8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.730 4.786 -10.167 1.00 0.00 H new ATOM 471 N CYS A 44 -3.165 5.701 -3.625 1.00 0.00 N ATOM 472 CA CYS A 44 -3.524 6.750 -2.636 1.00 0.00 C ATOM 473 C CYS A 44 -4.022 7.991 -3.372 1.00 0.00 C ATOM 474 O CYS A 44 -4.422 7.931 -4.518 1.00 0.00 O ATOM 475 CB CYS A 44 -2.262 7.123 -1.862 1.00 0.00 C ATOM 476 SG CYS A 44 -2.416 7.499 -0.101 1.00 0.00 S ATOM 0 H CYS A 44 -2.172 5.641 -3.849 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.301 6.382 -1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.553 6.301 -1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.817 7.991 -2.349 1.00 0.00 H new ATOM 481 N ARG A 45 -3.978 9.090 -2.674 1.00 0.00 N ATOM 482 CA ARG A 45 -4.421 10.379 -3.277 1.00 0.00 C ATOM 483 C ARG A 45 -3.303 11.402 -3.094 1.00 0.00 C ATOM 484 O ARG A 45 -2.780 11.528 -2.003 1.00 0.00 O ATOM 485 CB ARG A 45 -5.656 10.888 -2.528 1.00 0.00 C ATOM 486 CG ARG A 45 -6.648 9.744 -2.287 1.00 0.00 C ATOM 487 CD ARG A 45 -7.407 10.046 -0.992 1.00 0.00 C ATOM 488 NE ARG A 45 -6.547 9.610 0.145 1.00 0.00 N ATOM 489 CZ ARG A 45 -5.758 10.447 0.758 1.00 0.00 C ATOM 490 NH1 ARG A 45 -5.809 11.728 0.513 1.00 0.00 N ATOM 491 NH2 ARG A 45 -4.913 9.944 1.607 1.00 0.00 N ATOM 0 H ARG A 45 -3.654 9.152 -1.709 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.653 10.236 -4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.356 11.324 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.137 11.679 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.341 9.657 -3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.122 8.793 -2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.630 11.110 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.361 9.519 -0.975 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.577 8.637 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.475 12.091 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.183 12.366 1.004 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.889 8.937 1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.273 10.556 2.113 1.00 0.00 H new ATOM 505 N LEU A 46 -2.938 12.119 -4.125 1.00 0.00 N ATOM 506 CA LEU A 46 -1.843 13.110 -3.899 1.00 0.00 C ATOM 507 C LEU A 46 -2.325 14.525 -4.224 1.00 0.00 C ATOM 508 O LEU A 46 -3.232 14.713 -5.009 1.00 0.00 O ATOM 509 CB LEU A 46 -0.628 12.757 -4.776 1.00 0.00 C ATOM 510 CG LEU A 46 -0.823 11.386 -5.441 1.00 0.00 C ATOM 511 CD1 LEU A 46 0.231 11.229 -6.542 1.00 0.00 C ATOM 512 CD2 LEU A 46 -0.593 10.289 -4.396 1.00 0.00 C ATOM 0 H LEU A 46 -3.326 12.069 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.552 13.074 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.490 13.522 -5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.276 12.747 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.829 11.309 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.109 10.260 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.108 12.022 -7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.227 11.293 -6.104 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.729 9.311 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.421 10.367 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.307 10.407 -3.581 1.00 0.00 H new ATOM 524 N ARG A 47 -1.720 15.503 -3.608 1.00 0.00 N ATOM 525 CA ARG A 47 -2.156 16.898 -3.901 1.00 0.00 C ATOM 526 C ARG A 47 -1.077 17.908 -3.510 1.00 0.00 C ATOM 527 O ARG A 47 -0.075 17.556 -2.919 1.00 0.00 O ATOM 528 CB ARG A 47 -3.439 17.174 -3.111 1.00 0.00 C ATOM 529 CG ARG A 47 -4.143 18.388 -3.722 1.00 0.00 C ATOM 530 CD ARG A 47 -5.584 18.436 -3.211 1.00 0.00 C ATOM 531 NE ARG A 47 -6.376 19.291 -4.140 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.087 20.275 -3.661 1.00 0.00 C ATOM 533 NH1 ARG A 47 -8.022 20.009 -2.790 1.00 0.00 N ATOM 534 NH2 ARG A 47 -6.844 21.490 -4.070 1.00 0.00 N ATOM 0 H ARG A 47 -0.963 15.403 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.334 17.003 -4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.095 16.304 -3.140 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.204 17.362 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.617 19.304 -3.452 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.131 18.322 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.005 17.432 -3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.616 18.841 -2.200 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.362 19.108 -5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.186 19.046 -2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.589 20.764 -2.404 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.107 21.660 -4.755 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.391 22.270 -3.705 1.00 0.00 H new ATOM 548 N ASP A 48 -1.298 19.137 -3.892 1.00 0.00 N ATOM 549 CA ASP A 48 -0.326 20.219 -3.551 1.00 0.00 C ATOM 550 C ASP A 48 -0.044 20.326 -2.044 1.00 0.00 C ATOM 551 O ASP A 48 0.557 21.283 -1.599 1.00 0.00 O ATOM 552 CB ASP A 48 -0.904 21.546 -4.051 1.00 0.00 C ATOM 553 CG ASP A 48 -2.296 21.741 -3.440 1.00 0.00 C ATOM 554 OD1 ASP A 48 -2.331 22.026 -2.254 1.00 0.00 O ATOM 555 OD2 ASP A 48 -3.242 21.587 -4.194 1.00 0.00 O ATOM 0 H ASP A 48 -2.112 19.440 -4.427 1.00 0.00 H new ATOM 0 HA ASP A 48 0.624 19.981 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.250 22.372 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.967 21.544 -5.139 1.00 0.00 H new ATOM 560 N ASP A 49 -0.477 19.353 -1.286 1.00 0.00 N ATOM 561 CA ASP A 49 -0.227 19.390 0.182 1.00 0.00 C ATOM 562 C ASP A 49 0.569 18.141 0.558 1.00 0.00 C ATOM 563 O ASP A 49 1.763 18.215 0.773 1.00 0.00 O ATOM 564 CB ASP A 49 -1.569 19.414 0.929 1.00 0.00 C ATOM 565 CG ASP A 49 -2.657 18.767 0.067 1.00 0.00 C ATOM 566 OD1 ASP A 49 -3.088 19.440 -0.854 1.00 0.00 O ATOM 567 OD2 ASP A 49 -2.994 17.636 0.382 1.00 0.00 O ATOM 0 H ASP A 49 -0.991 18.538 -1.620 1.00 0.00 H new ATOM 0 HA ASP A 49 0.335 20.283 0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.478 18.881 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.844 20.441 1.167 1.00 0.00 H new ATOM 572 N VAL A 50 -0.100 17.021 0.629 1.00 0.00 N ATOM 573 CA VAL A 50 0.618 15.768 0.967 1.00 0.00 C ATOM 574 C VAL A 50 1.841 15.619 0.063 1.00 0.00 C ATOM 575 O VAL A 50 1.773 15.774 -1.140 1.00 0.00 O ATOM 576 CB VAL A 50 -0.346 14.593 0.772 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.521 14.775 1.741 1.00 0.00 C ATOM 578 CG2 VAL A 50 -0.888 14.605 -0.661 1.00 0.00 C ATOM 0 H VAL A 50 -1.103 16.924 0.469 1.00 0.00 H new ATOM 0 HA VAL A 50 0.960 15.789 2.002 1.00 0.00 H new ATOM 0 HB VAL A 50 0.171 13.652 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.223 13.949 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.149 14.789 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.028 15.716 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.573 13.769 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.417 15.541 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.060 14.514 -1.364 1.00 0.00 H new ATOM 588 N GLN A 51 2.937 15.332 0.701 1.00 0.00 N ATOM 589 CA GLN A 51 4.223 15.160 -0.029 1.00 0.00 C ATOM 590 C GLN A 51 4.792 13.784 0.295 1.00 0.00 C ATOM 591 O GLN A 51 5.556 13.232 -0.471 1.00 0.00 O ATOM 592 CB GLN A 51 5.219 16.226 0.434 1.00 0.00 C ATOM 593 CG GLN A 51 4.532 17.591 0.445 1.00 0.00 C ATOM 594 CD GLN A 51 5.585 18.667 0.709 1.00 0.00 C ATOM 595 OE1 GLN A 51 5.830 19.016 1.941 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 6.199 19.192 -0.200 1.00 0.00 N flip ATOM 0 H GLN A 51 2.999 15.207 1.711 1.00 0.00 H new ATOM 0 HA GLN A 51 4.052 15.257 -1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.590 15.985 1.430 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.082 16.246 -0.231 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.037 17.773 -0.509 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.761 17.620 1.215 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.011 18.922 -1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.902 19.902 0.003 1.00 0.00 H new ATOM 605 N SER A 52 4.407 13.257 1.428 1.00 0.00 N ATOM 606 CA SER A 52 4.933 11.919 1.804 1.00 0.00 C ATOM 607 C SER A 52 3.760 10.958 1.911 1.00 0.00 C ATOM 608 O SER A 52 2.784 11.256 2.570 1.00 0.00 O ATOM 609 CB SER A 52 5.639 12.029 3.157 1.00 0.00 C ATOM 610 OG SER A 52 6.682 12.964 2.920 1.00 0.00 O ATOM 0 H SER A 52 3.765 13.687 2.094 1.00 0.00 H new ATOM 0 HA SER A 52 5.640 11.557 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.960 12.376 3.936 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.032 11.066 3.483 1.00 0.00 H new ATOM 0 HG SER A 52 7.193 13.100 3.745 1.00 0.00 H new ATOM 616 N ILE A 53 3.857 9.859 1.218 1.00 0.00 N ATOM 617 CA ILE A 53 2.760 8.860 1.278 1.00 0.00 C ATOM 618 C ILE A 53 3.299 7.616 1.966 1.00 0.00 C ATOM 619 O ILE A 53 4.156 6.925 1.454 1.00 0.00 O ATOM 620 CB ILE A 53 2.317 8.498 -0.135 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.424 9.613 -0.714 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.491 7.209 -0.085 1.00 0.00 C ATOM 623 CD1 ILE A 53 2.187 10.941 -0.760 1.00 0.00 C ATOM 0 H ILE A 53 4.643 9.612 0.617 1.00 0.00 H new ATOM 0 HA ILE A 53 1.909 9.266 1.824 1.00 0.00 H new ATOM 0 HB ILE A 53 3.202 8.371 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.096 9.340 -1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.527 9.723 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.170 6.943 -1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.099 6.403 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.616 7.362 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.542 11.717 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.493 11.220 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.070 10.832 -1.390 1.00 0.00 H new ATOM 635 N ASN A 54 2.769 7.376 3.128 1.00 0.00 N ATOM 636 CA ASN A 54 3.203 6.183 3.902 1.00 0.00 C ATOM 637 C ASN A 54 2.129 5.120 3.728 1.00 0.00 C ATOM 638 O ASN A 54 0.964 5.407 3.904 1.00 0.00 O ATOM 639 CB ASN A 54 3.278 6.546 5.381 1.00 0.00 C ATOM 640 CG ASN A 54 3.097 8.049 5.560 1.00 0.00 C ATOM 641 OD1 ASN A 54 2.172 8.437 6.388 1.00 0.00 O flip ATOM 642 ND2 ASN A 54 3.771 8.862 4.960 1.00 0.00 N flip ATOM 0 H ASN A 54 2.056 7.952 3.576 1.00 0.00 H new ATOM 0 HA ASN A 54 4.176 5.833 3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.507 6.010 5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.239 6.236 5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.494 8.547 4.313 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.614 9.860 5.103 1.00 0.00 H new ATOM 649 N TRP A 55 2.512 3.921 3.392 1.00 0.00 N ATOM 650 CA TRP A 55 1.470 2.876 3.230 1.00 0.00 C ATOM 651 C TRP A 55 1.508 2.011 4.490 1.00 0.00 C ATOM 652 O TRP A 55 2.381 1.181 4.638 1.00 0.00 O ATOM 653 CB TRP A 55 1.815 2.065 1.986 1.00 0.00 C ATOM 654 CG TRP A 55 1.605 2.952 0.752 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.555 3.691 0.105 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.439 3.069 0.091 1.00 0.00 C ATOM 657 NE1 TRP A 55 1.887 4.194 -0.917 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.603 3.881 -1.009 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.793 2.509 0.364 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.467 4.137 -1.840 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.863 2.763 -0.469 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.701 3.578 -1.573 1.00 0.00 C ATOM 0 H TRP A 55 3.474 3.626 3.227 1.00 0.00 H new ATOM 0 HA TRP A 55 0.469 3.290 3.107 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.848 1.720 2.033 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.185 1.177 1.926 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.594 3.829 0.365 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.339 4.796 -1.605 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.919 1.873 1.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.340 4.776 -2.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.827 2.325 -0.258 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.538 3.777 -2.226 1.00 0.00 H new ATOM 673 N LEU A 56 0.549 2.171 5.363 1.00 0.00 N ATOM 674 CA LEU A 56 0.602 1.368 6.610 1.00 0.00 C ATOM 675 C LEU A 56 0.097 -0.035 6.287 1.00 0.00 C ATOM 676 O LEU A 56 -1.087 -0.235 6.100 1.00 0.00 O ATOM 677 CB LEU A 56 -0.322 1.963 7.687 1.00 0.00 C ATOM 678 CG LEU A 56 -0.369 3.491 7.614 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.200 3.984 8.802 1.00 0.00 C ATOM 680 CD2 LEU A 56 1.039 4.077 7.724 1.00 0.00 C ATOM 0 H LEU A 56 -0.245 2.804 5.269 1.00 0.00 H new ATOM 0 HA LEU A 56 1.626 1.359 6.983 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.328 1.562 7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.025 1.657 8.674 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.803 3.802 6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.254 5.072 8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.206 3.569 8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.732 3.662 9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.986 5.164 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.483 3.782 8.675 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.654 3.703 6.905 1.00 0.00 H new ATOM 692 N ARG A 57 1.001 -0.973 6.261 1.00 0.00 N ATOM 693 CA ARG A 57 0.597 -2.367 5.936 1.00 0.00 C ATOM 694 C ARG A 57 -0.010 -2.992 7.181 1.00 0.00 C ATOM 695 O ARG A 57 0.343 -2.632 8.284 1.00 0.00 O ATOM 696 CB ARG A 57 1.837 -3.165 5.526 1.00 0.00 C ATOM 697 CG ARG A 57 1.472 -4.653 5.456 1.00 0.00 C ATOM 698 CD ARG A 57 2.705 -5.452 5.021 1.00 0.00 C ATOM 699 NE ARG A 57 3.761 -5.302 6.061 1.00 0.00 N ATOM 700 CZ ARG A 57 5.004 -5.563 5.758 1.00 0.00 C ATOM 701 NH1 ARG A 57 5.451 -5.239 4.576 1.00 0.00 N ATOM 702 NH2 ARG A 57 5.759 -6.141 6.651 1.00 0.00 N ATOM 0 H ARG A 57 1.994 -0.836 6.449 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.126 -2.372 5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.203 -2.821 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.641 -3.008 6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.123 -5.001 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.656 -4.807 4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.448 -6.503 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.068 -5.092 4.058 1.00 0.00 H new ATOM 0 HE ARG A 57 3.515 -4.998 7.003 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.832 -4.788 3.903 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.420 -5.437 4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.375 -6.380 7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.733 -6.354 6.435 1.00 0.00 H new ATOM 716 N ASP A 58 -0.976 -3.840 6.961 1.00 0.00 N ATOM 717 CA ASP A 58 -1.645 -4.529 8.101 1.00 0.00 C ATOM 718 C ASP A 58 -2.347 -3.483 8.967 1.00 0.00 C ATOM 719 O ASP A 58 -3.550 -3.335 8.893 1.00 0.00 O ATOM 720 CB ASP A 58 -0.586 -5.280 8.925 1.00 0.00 C ATOM 721 CG ASP A 58 -1.267 -6.108 10.024 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.482 -6.211 9.968 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.523 -6.597 10.857 1.00 0.00 O ATOM 0 H ASP A 58 -1.332 -4.087 6.038 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.382 -5.244 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.003 -5.932 8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.110 -4.570 9.372 1.00 0.00 H new ATOM 728 N GLY A 59 -1.566 -2.802 9.765 1.00 0.00 N ATOM 729 CA GLY A 59 -2.120 -1.734 10.646 1.00 0.00 C ATOM 730 C GLY A 59 -0.995 -0.799 11.119 1.00 0.00 C ATOM 731 O GLY A 59 -1.153 -0.079 12.085 1.00 0.00 O ATOM 0 H GLY A 59 -0.559 -2.943 9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.875 -1.162 10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.615 -2.183 11.507 1.00 0.00 H new ATOM 735 N VAL A 60 0.113 -0.829 10.425 1.00 0.00 N ATOM 736 CA VAL A 60 1.267 0.036 10.810 1.00 0.00 C ATOM 737 C VAL A 60 2.021 0.502 9.559 1.00 0.00 C ATOM 738 O VAL A 60 1.957 -0.127 8.521 1.00 0.00 O ATOM 739 CB VAL A 60 2.218 -0.771 11.703 1.00 0.00 C ATOM 740 CG1 VAL A 60 1.499 -1.137 13.006 1.00 0.00 C ATOM 741 CG2 VAL A 60 2.611 -2.064 10.979 1.00 0.00 C ATOM 0 H VAL A 60 0.268 -1.417 9.606 1.00 0.00 H new ATOM 0 HA VAL A 60 0.898 0.910 11.346 1.00 0.00 H new ATOM 0 HB VAL A 60 3.106 -0.178 11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.171 -1.711 13.644 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.197 -0.226 13.523 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.616 -1.735 12.779 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.287 -2.642 11.609 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.716 -2.651 10.772 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.109 -1.819 10.041 1.00 0.00 H new ATOM 751 N GLN A 61 2.735 1.587 9.703 1.00 0.00 N ATOM 752 CA GLN A 61 3.505 2.147 8.552 1.00 0.00 C ATOM 753 C GLN A 61 4.236 1.070 7.744 1.00 0.00 C ATOM 754 O GLN A 61 4.795 0.140 8.290 1.00 0.00 O ATOM 755 CB GLN A 61 4.512 3.168 9.104 1.00 0.00 C ATOM 756 CG GLN A 61 5.652 2.437 9.829 1.00 0.00 C ATOM 757 CD GLN A 61 6.781 2.093 8.847 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.625 2.316 7.569 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.825 1.611 9.239 1.00 0.00 N flip ATOM 0 H GLN A 61 2.819 2.113 10.573 1.00 0.00 H new ATOM 0 HA GLN A 61 2.802 2.618 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.914 3.772 8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.012 3.851 9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.040 3.063 10.633 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.272 1.525 10.289 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.962 1.431 10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.565 1.386 8.574 1.00 0.00 H new ATOM 768 N LEU A 62 4.198 1.229 6.447 1.00 0.00 N ATOM 769 CA LEU A 62 4.887 0.250 5.559 1.00 0.00 C ATOM 770 C LEU A 62 5.196 0.879 4.194 1.00 0.00 C ATOM 771 O LEU A 62 4.410 1.599 3.607 1.00 0.00 O ATOM 772 CB LEU A 62 3.993 -0.980 5.378 1.00 0.00 C ATOM 773 CG LEU A 62 4.843 -2.260 5.256 1.00 0.00 C ATOM 774 CD1 LEU A 62 5.900 -2.098 4.162 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.546 -2.528 6.592 1.00 0.00 C ATOM 0 H LEU A 62 3.721 1.992 5.967 1.00 0.00 H new ATOM 0 HA LEU A 62 5.830 -0.044 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.313 -1.069 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.378 -0.860 4.486 1.00 0.00 H new ATOM 0 HG LEU A 62 4.189 -3.093 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.491 -3.011 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.409 -1.906 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.553 -1.261 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.149 -3.433 6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.190 -1.684 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.800 -2.658 7.376 1.00 0.00 H new ATOM 787 N VAL A 63 6.422 0.680 3.807 1.00 0.00 N ATOM 788 CA VAL A 63 6.910 1.196 2.501 1.00 0.00 C ATOM 789 C VAL A 63 8.208 0.433 2.155 1.00 0.00 C ATOM 790 O VAL A 63 9.268 0.777 2.640 1.00 0.00 O ATOM 791 CB VAL A 63 7.068 2.719 2.673 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.773 3.018 4.002 1.00 0.00 C ATOM 793 CG2 VAL A 63 7.876 3.336 1.540 1.00 0.00 C ATOM 0 H VAL A 63 7.119 0.172 4.351 1.00 0.00 H new ATOM 0 HA VAL A 63 6.236 1.034 1.660 1.00 0.00 H new ATOM 0 HB VAL A 63 6.069 3.156 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.883 4.096 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.180 2.621 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.757 2.550 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.964 4.411 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.870 2.890 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.373 3.150 0.591 1.00 0.00 H new ATOM 843 N ARG A 67 10.290 -5.965 -5.080 1.00 0.00 N ATOM 844 CA ARG A 67 9.040 -6.785 -5.165 1.00 0.00 C ATOM 845 C ARG A 67 7.780 -5.954 -4.900 1.00 0.00 C ATOM 846 O ARG A 67 6.761 -6.129 -5.537 1.00 0.00 O ATOM 847 CB ARG A 67 9.127 -7.911 -4.127 1.00 0.00 C ATOM 848 CG ARG A 67 10.385 -8.746 -4.402 1.00 0.00 C ATOM 849 CD ARG A 67 10.505 -9.834 -3.328 1.00 0.00 C ATOM 850 NE ARG A 67 10.112 -11.141 -3.931 1.00 0.00 N ATOM 851 CZ ARG A 67 11.004 -12.072 -4.135 1.00 0.00 C ATOM 852 NH1 ARG A 67 12.274 -11.793 -4.016 1.00 0.00 N ATOM 853 NH2 ARG A 67 10.577 -13.260 -4.458 1.00 0.00 N ATOM 0 HA ARG A 67 8.963 -7.182 -6.177 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.164 -7.494 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.238 -8.540 -4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.328 -9.199 -5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.269 -8.109 -4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.527 -9.883 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.863 -9.600 -2.479 1.00 0.00 H new ATOM 0 HE ARG A 67 9.139 -11.308 -4.186 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.567 -10.849 -3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.973 -12.519 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.576 -13.436 -4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.244 -14.014 -4.625 1.00 0.00 H new ATOM 867 N THR A 68 7.895 -5.055 -3.960 1.00 0.00 N ATOM 868 CA THR A 68 6.761 -4.178 -3.599 1.00 0.00 C ATOM 869 C THR A 68 7.232 -2.769 -3.968 1.00 0.00 C ATOM 870 O THR A 68 7.924 -2.111 -3.217 1.00 0.00 O ATOM 871 CB THR A 68 6.507 -4.343 -2.090 1.00 0.00 C ATOM 872 OG1 THR A 68 7.763 -4.130 -1.457 1.00 0.00 O ATOM 873 CG2 THR A 68 6.197 -5.810 -1.769 1.00 0.00 C ATOM 0 H THR A 68 8.746 -4.894 -3.421 1.00 0.00 H new ATOM 0 HA THR A 68 5.825 -4.404 -4.109 1.00 0.00 H new ATOM 0 HB THR A 68 5.702 -3.677 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.191 -3.335 -1.838 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.018 -5.918 -0.699 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.309 -6.123 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.043 -6.433 -2.061 1.00 0.00 H new ATOM 881 N ARG A 69 6.819 -2.345 -5.132 1.00 0.00 N ATOM 882 CA ARG A 69 7.240 -1.020 -5.648 1.00 0.00 C ATOM 883 C ARG A 69 6.373 0.024 -4.975 1.00 0.00 C ATOM 884 O ARG A 69 5.276 0.325 -5.398 1.00 0.00 O ATOM 885 CB ARG A 69 7.030 -0.997 -7.163 1.00 0.00 C ATOM 886 CG ARG A 69 7.742 0.228 -7.737 1.00 0.00 C ATOM 887 CD ARG A 69 7.659 0.174 -9.266 1.00 0.00 C ATOM 888 NE ARG A 69 6.221 0.146 -9.658 1.00 0.00 N ATOM 889 CZ ARG A 69 5.752 1.082 -10.437 1.00 0.00 C ATOM 890 NH1 ARG A 69 5.768 0.896 -11.729 1.00 0.00 N ATOM 891 NH2 ARG A 69 5.280 2.173 -9.897 1.00 0.00 N ATOM 0 H ARG A 69 6.201 -2.870 -5.751 1.00 0.00 H new ATOM 0 HA ARG A 69 8.291 -0.820 -5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.424 -1.908 -7.613 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.966 -0.960 -7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.279 1.142 -7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.783 0.245 -7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.155 1.041 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.172 -0.711 -9.643 1.00 0.00 H new ATOM 0 HE ARG A 69 5.610 -0.598 -9.321 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.143 0.030 -12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.405 1.617 -12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.282 2.282 -8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.909 2.916 -10.489 1.00 0.00 H new ATOM 905 N ILE A 70 6.876 0.469 -3.865 1.00 0.00 N ATOM 906 CA ILE A 70 6.155 1.496 -3.077 1.00 0.00 C ATOM 907 C ILE A 70 6.461 2.885 -3.602 1.00 0.00 C ATOM 908 O ILE A 70 7.513 3.425 -3.326 1.00 0.00 O ATOM 909 CB ILE A 70 6.671 1.474 -1.669 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.192 1.235 -1.768 1.00 0.00 C ATOM 911 CG2 ILE A 70 6.019 0.339 -0.883 1.00 0.00 C ATOM 912 CD1 ILE A 70 8.914 2.072 -0.740 1.00 0.00 C ATOM 0 H ILE A 70 7.763 0.163 -3.466 1.00 0.00 H new ATOM 0 HA ILE A 70 5.088 1.281 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 70 6.444 2.407 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.414 0.179 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.544 1.489 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.403 0.335 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.939 0.484 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.249 -0.613 -1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.987 1.897 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.705 3.127 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.572 1.797 0.258 1.00 0.00 H new ATOM 924 N THR A 71 5.561 3.454 -4.346 1.00 0.00 N ATOM 925 CA THR A 71 5.863 4.826 -4.805 1.00 0.00 C ATOM 926 C THR A 71 5.066 5.775 -3.905 1.00 0.00 C ATOM 927 O THR A 71 3.985 5.446 -3.451 1.00 0.00 O ATOM 928 CB THR A 71 5.448 5.002 -6.258 1.00 0.00 C ATOM 929 OG1 THR A 71 4.051 5.193 -6.156 1.00 0.00 O ATOM 930 CG2 THR A 71 5.600 3.694 -7.040 1.00 0.00 C ATOM 0 H THR A 71 4.672 3.052 -4.644 1.00 0.00 H new ATOM 0 HA THR A 71 6.931 5.033 -4.744 1.00 0.00 H new ATOM 0 HB THR A 71 6.027 5.787 -6.744 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.628 4.360 -5.860 1.00 0.00 H new ATOM 0 HG21 THR A 71 5.296 3.851 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.641 3.373 -7.013 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.971 2.926 -6.590 1.00 0.00 H new ATOM 938 N GLY A 72 5.647 6.910 -3.632 1.00 0.00 N ATOM 939 CA GLY A 72 4.975 7.924 -2.769 1.00 0.00 C ATOM 940 C GLY A 72 3.552 8.261 -3.225 1.00 0.00 C ATOM 941 O GLY A 72 2.984 9.236 -2.777 1.00 0.00 O ATOM 0 H GLY A 72 6.569 7.182 -3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.943 7.554 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.572 8.836 -2.760 1.00 0.00 H new ATOM 945 N GLU A 73 3.010 7.498 -4.133 1.00 0.00 N ATOM 946 CA GLU A 73 1.617 7.770 -4.579 1.00 0.00 C ATOM 947 C GLU A 73 0.828 6.461 -4.685 1.00 0.00 C ATOM 948 O GLU A 73 -0.366 6.421 -4.461 1.00 0.00 O ATOM 949 CB GLU A 73 1.665 8.449 -5.951 1.00 0.00 C ATOM 950 CG GLU A 73 2.482 7.579 -6.914 1.00 0.00 C ATOM 951 CD GLU A 73 2.471 8.231 -8.300 1.00 0.00 C ATOM 952 OE1 GLU A 73 3.031 9.311 -8.394 1.00 0.00 O ATOM 953 OE2 GLU A 73 1.902 7.610 -9.183 1.00 0.00 O ATOM 0 H GLU A 73 3.467 6.704 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 73 1.124 8.417 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.655 8.590 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.114 9.438 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.506 7.476 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.060 6.575 -6.966 1.00 0.00 H new ATOM 960 N GLU A 74 1.510 5.394 -4.994 1.00 0.00 N ATOM 961 CA GLU A 74 0.780 4.108 -5.142 1.00 0.00 C ATOM 962 C GLU A 74 1.700 2.967 -4.753 1.00 0.00 C ATOM 963 O GLU A 74 2.893 3.034 -4.956 1.00 0.00 O ATOM 964 CB GLU A 74 0.367 3.950 -6.611 1.00 0.00 C ATOM 965 CG GLU A 74 -0.353 2.608 -6.795 1.00 0.00 C ATOM 966 CD GLU A 74 -0.644 2.399 -8.284 1.00 0.00 C ATOM 967 OE1 GLU A 74 -1.699 2.854 -8.690 1.00 0.00 O ATOM 968 OE2 GLU A 74 0.211 1.815 -8.928 1.00 0.00 O ATOM 0 H GLU A 74 2.518 5.356 -5.147 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.102 4.097 -4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.287 4.770 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.246 3.995 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.264 1.794 -6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.282 2.598 -6.225 1.00 0.00 H new ATOM 975 N VAL A 75 1.122 1.946 -4.204 1.00 0.00 N ATOM 976 CA VAL A 75 1.958 0.783 -3.813 1.00 0.00 C ATOM 977 C VAL A 75 1.663 -0.344 -4.779 1.00 0.00 C ATOM 978 O VAL A 75 0.532 -0.768 -4.895 1.00 0.00 O ATOM 979 CB VAL A 75 1.605 0.367 -2.391 1.00 0.00 C ATOM 980 CG1 VAL A 75 1.939 -1.118 -2.192 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.474 1.183 -1.453 1.00 0.00 C ATOM 0 H VAL A 75 0.124 1.863 -4.010 1.00 0.00 H new ATOM 0 HA VAL A 75 3.018 1.034 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 75 0.544 0.529 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.686 -1.415 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.365 -1.718 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.004 -1.277 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.249 0.912 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.524 0.980 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.273 2.244 -1.602 1.00 0.00 H new ATOM 991 N GLU A 76 2.678 -0.734 -5.498 1.00 0.00 N ATOM 992 CA GLU A 76 2.493 -1.852 -6.465 1.00 0.00 C ATOM 993 C GLU A 76 3.258 -3.096 -6.003 1.00 0.00 C ATOM 994 O GLU A 76 4.465 -3.155 -6.102 1.00 0.00 O ATOM 995 CB GLU A 76 3.021 -1.412 -7.829 1.00 0.00 C ATOM 996 CG GLU A 76 2.150 -0.266 -8.348 1.00 0.00 C ATOM 997 CD GLU A 76 2.471 -0.038 -9.827 1.00 0.00 C ATOM 998 OE1 GLU A 76 2.461 -1.036 -10.528 1.00 0.00 O ATOM 999 OE2 GLU A 76 2.703 1.111 -10.166 1.00 0.00 O ATOM 0 H GLU A 76 3.615 -0.334 -5.460 1.00 0.00 H new ATOM 0 HA GLU A 76 1.433 -2.100 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.059 -1.090 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.002 -2.248 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.094 -0.507 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.340 0.642 -7.776 1.00 0.00 H new ATOM 1006 N VAL A 77 2.541 -4.077 -5.530 1.00 0.00 N ATOM 1007 CA VAL A 77 3.222 -5.318 -5.062 1.00 0.00 C ATOM 1008 C VAL A 77 3.027 -6.337 -6.182 1.00 0.00 C ATOM 1009 O VAL A 77 1.917 -6.730 -6.470 1.00 0.00 O ATOM 1010 CB VAL A 77 2.572 -5.786 -3.737 1.00 0.00 C ATOM 1011 CG1 VAL A 77 2.951 -4.790 -2.638 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.050 -5.766 -3.874 1.00 0.00 C ATOM 0 H VAL A 77 1.524 -4.075 -5.447 1.00 0.00 H new ATOM 0 HA VAL A 77 4.283 -5.173 -4.859 1.00 0.00 H new ATOM 0 HB VAL A 77 2.915 -6.793 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.503 -5.101 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.035 -4.760 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.585 -3.798 -2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.596 -6.096 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.718 -4.753 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.748 -6.435 -4.680 1.00 0.00 H new ATOM 1022 N ARG A 78 4.112 -6.734 -6.789 1.00 0.00 N ATOM 1023 CA ARG A 78 4.008 -7.693 -7.928 1.00 0.00 C ATOM 1024 C ARG A 78 4.372 -9.078 -7.421 1.00 0.00 C ATOM 1025 O ARG A 78 5.195 -9.765 -7.996 1.00 0.00 O ATOM 1026 CB ARG A 78 5.004 -7.281 -9.027 1.00 0.00 C ATOM 1027 CG ARG A 78 5.431 -5.822 -8.828 1.00 0.00 C ATOM 1028 CD ARG A 78 4.197 -4.921 -8.902 1.00 0.00 C ATOM 1029 NE ARG A 78 4.181 -4.258 -10.239 1.00 0.00 N ATOM 1030 CZ ARG A 78 3.307 -4.629 -11.137 1.00 0.00 C ATOM 1031 NH1 ARG A 78 2.437 -3.759 -11.574 1.00 0.00 N ATOM 1032 NH2 ARG A 78 3.336 -5.856 -11.578 1.00 0.00 N ATOM 0 H ARG A 78 5.059 -6.440 -6.549 1.00 0.00 H new ATOM 0 HA ARG A 78 2.996 -7.691 -8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.878 -7.931 -8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.546 -7.404 -10.009 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.925 -5.704 -7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.152 -5.534 -9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.289 -5.507 -8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.224 -4.175 -8.108 1.00 0.00 H new ATOM 0 HE ARG A 78 4.850 -3.518 -10.451 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.446 -2.804 -11.215 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.749 -4.034 -12.275 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.034 -6.510 -11.222 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.661 -6.162 -12.279 1.00 0.00 H new ATOM 1046 N ASP A 79 3.741 -9.466 -6.350 1.00 0.00 N ATOM 1047 CA ASP A 79 4.086 -10.793 -5.789 1.00 0.00 C ATOM 1048 C ASP A 79 3.005 -11.323 -4.855 1.00 0.00 C ATOM 1049 O ASP A 79 2.815 -12.517 -4.754 1.00 0.00 O ATOM 1050 CB ASP A 79 5.408 -10.644 -5.024 1.00 0.00 C ATOM 1051 CG ASP A 79 6.149 -11.983 -4.955 1.00 0.00 C ATOM 1052 OD1 ASP A 79 5.507 -12.992 -5.195 1.00 0.00 O ATOM 1053 OD2 ASP A 79 7.329 -11.908 -4.658 1.00 0.00 O ATOM 0 H ASP A 79 3.023 -8.938 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 79 4.176 -11.511 -6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.036 -9.900 -5.515 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.211 -10.280 -4.016 1.00 0.00 H new ATOM 1058 N SER A 80 2.311 -10.435 -4.195 1.00 0.00 N ATOM 1059 CA SER A 80 1.277 -10.916 -3.238 1.00 0.00 C ATOM 1060 C SER A 80 1.928 -11.979 -2.354 1.00 0.00 C ATOM 1061 O SER A 80 1.861 -13.156 -2.647 1.00 0.00 O ATOM 1062 CB SER A 80 0.109 -11.524 -4.015 1.00 0.00 C ATOM 1063 OG SER A 80 -0.321 -10.457 -4.844 1.00 0.00 O ATOM 0 H SER A 80 2.411 -9.423 -4.274 1.00 0.00 H new ATOM 0 HA SER A 80 0.897 -10.096 -2.628 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.422 -12.388 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.685 -11.861 -3.349 1.00 0.00 H new ATOM 0 HG SER A 80 -1.005 -9.934 -4.376 1.00 0.00 H new ATOM 1069 N ILE A 81 2.600 -11.505 -1.342 1.00 0.00 N ATOM 1070 CA ILE A 81 3.301 -12.409 -0.387 1.00 0.00 C ATOM 1071 C ILE A 81 2.850 -11.949 0.999 1.00 0.00 C ATOM 1072 O ILE A 81 2.163 -10.955 1.090 1.00 0.00 O ATOM 1073 CB ILE A 81 4.815 -12.216 -0.581 1.00 0.00 C ATOM 1074 CG1 ILE A 81 5.187 -10.750 -0.281 1.00 0.00 C ATOM 1075 CG2 ILE A 81 5.156 -12.521 -2.043 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.713 -10.626 -0.238 1.00 0.00 C ATOM 0 H ILE A 81 2.695 -10.511 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 81 3.077 -13.466 -0.530 1.00 0.00 H new ATOM 0 HB ILE A 81 5.365 -12.878 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.777 -10.092 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.756 -10.439 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.226 -12.390 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.878 -13.549 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.607 -11.841 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.988 -9.593 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.109 -11.274 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.129 -10.923 -1.201 1.00 0.00 H new ATOM 1088 N PRO A 82 3.216 -12.647 2.042 1.00 0.00 N ATOM 1089 CA PRO A 82 2.504 -12.524 3.337 1.00 0.00 C ATOM 1090 C PRO A 82 2.152 -11.061 3.644 1.00 0.00 C ATOM 1091 O PRO A 82 1.111 -10.764 4.193 1.00 0.00 O ATOM 1092 CB PRO A 82 3.476 -13.113 4.363 1.00 0.00 C ATOM 1093 CG PRO A 82 4.486 -13.983 3.556 1.00 0.00 C ATOM 1094 CD PRO A 82 4.407 -13.528 2.083 1.00 0.00 C ATOM 0 HA PRO A 82 1.548 -13.048 3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.992 -12.323 4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.946 -13.716 5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.497 -13.857 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.239 -15.041 3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.308 -12.995 1.781 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.298 -14.377 1.408 1.00 0.00 H new ATOM 1102 N ALA A 83 3.020 -10.169 3.254 1.00 0.00 N ATOM 1103 CA ALA A 83 2.766 -8.718 3.502 1.00 0.00 C ATOM 1104 C ALA A 83 1.332 -8.275 3.154 1.00 0.00 C ATOM 1105 O ALA A 83 0.784 -7.394 3.785 1.00 0.00 O ATOM 1106 CB ALA A 83 3.755 -7.911 2.659 1.00 0.00 C ATOM 0 H ALA A 83 3.895 -10.380 2.774 1.00 0.00 H new ATOM 0 HA ALA A 83 2.895 -8.541 4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.589 -6.846 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.774 -8.168 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.608 -8.143 1.604 1.00 0.00 H new ATOM 1112 N ASP A 84 0.755 -8.901 2.164 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.619 -8.520 1.734 1.00 0.00 C ATOM 1114 C ASP A 84 -1.749 -9.166 2.548 1.00 0.00 C ATOM 1115 O ASP A 84 -2.879 -9.210 2.107 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.736 -8.871 0.251 1.00 0.00 C ATOM 1117 CG ASP A 84 0.256 -7.990 -0.522 1.00 0.00 C ATOM 1118 OD1 ASP A 84 0.841 -7.138 0.128 1.00 0.00 O ATOM 1119 OD2 ASP A 84 0.368 -8.220 -1.714 1.00 0.00 O ATOM 0 H ASP A 84 1.178 -9.662 1.633 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.749 -7.453 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.515 -9.926 0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.753 -8.701 -0.102 1.00 0.00 H new ATOM 1124 N SER A 85 -1.415 -9.729 3.676 1.00 0.00 N ATOM 1125 CA SER A 85 -2.467 -10.317 4.554 1.00 0.00 C ATOM 1126 C SER A 85 -2.814 -9.310 5.663 1.00 0.00 C ATOM 1127 O SER A 85 -2.433 -9.497 6.802 1.00 0.00 O ATOM 1128 CB SER A 85 -1.923 -11.608 5.171 1.00 0.00 C ATOM 1129 OG SER A 85 -3.021 -12.113 5.917 1.00 0.00 O ATOM 0 H SER A 85 -0.461 -9.808 4.028 1.00 0.00 H new ATOM 0 HA SER A 85 -3.365 -10.538 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.601 -12.313 4.405 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.061 -11.415 5.809 1.00 0.00 H new ATOM 0 HG SER A 85 -2.762 -12.952 6.353 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.523 -8.263 5.327 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.866 -7.254 6.372 1.00 0.00 C ATOM 1137 C GLY A 86 -4.411 -5.975 5.728 1.00 0.00 C ATOM 1138 O GLY A 86 -4.797 -5.965 4.576 1.00 0.00 O ATOM 0 H GLY A 86 -3.874 -8.065 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.607 -7.668 7.055 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.981 -7.021 6.964 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.433 -4.898 6.465 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.971 -3.658 5.843 1.00 0.00 C ATOM 1144 C LEU A 87 -3.849 -2.709 5.436 1.00 0.00 C ATOM 1145 O LEU A 87 -2.936 -2.447 6.193 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.890 -2.954 6.850 1.00 0.00 C ATOM 1147 CG LEU A 87 -7.266 -3.634 6.840 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.182 -4.963 7.600 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -8.271 -2.722 7.551 1.00 0.00 C ATOM 0 H LEU A 87 -4.116 -4.822 7.431 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.525 -3.933 4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.456 -2.999 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.990 -1.899 6.593 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.580 -3.816 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.158 -5.448 7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.451 -5.612 7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.876 -4.775 8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.254 -3.194 7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.948 -2.556 8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.327 -1.766 7.030 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.935 -2.237 4.222 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.927 -1.268 3.729 1.00 0.00 C ATOM 1163 C TYR A 88 -3.615 0.078 3.760 1.00 0.00 C ATOM 1164 O TYR A 88 -4.278 0.484 2.828 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.538 -1.579 2.296 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.383 -2.567 2.322 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.645 -3.911 2.420 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -0.077 -2.133 2.231 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.618 -4.819 2.411 1.00 0.00 C ATOM 1170 CE2 TYR A 88 0.960 -3.042 2.228 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.695 -4.398 2.307 1.00 0.00 C ATOM 1172 OH TYR A 88 1.715 -5.321 2.212 1.00 0.00 O ATOM 0 H TYR A 88 -4.663 -2.484 3.552 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.023 -1.301 4.338 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.386 -1.999 1.754 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.247 -0.667 1.775 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.665 -4.255 2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.135 -1.076 2.162 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.837 -5.874 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.981 -2.695 2.164 1.00 0.00 H new ATOM 0 HH TYR A 88 1.489 -5.990 1.532 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.461 0.737 4.865 1.00 0.00 N ATOM 1183 CA ALA A 89 -4.115 2.062 4.974 1.00 0.00 C ATOM 1184 C ALA A 89 -3.055 3.044 4.504 1.00 0.00 C ATOM 1185 O ALA A 89 -1.948 3.054 4.995 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.483 2.326 6.433 1.00 0.00 C ATOM 0 H ALA A 89 -2.927 0.429 5.677 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.032 2.139 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.964 3.300 6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.167 1.552 6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.580 2.314 7.044 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.405 3.861 3.561 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.391 4.807 3.047 1.00 0.00 C ATOM 1194 C CYS A 90 -2.573 6.138 3.734 1.00 0.00 C ATOM 1195 O CYS A 90 -3.673 6.649 3.795 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.589 4.995 1.561 1.00 0.00 C ATOM 1197 SG CYS A 90 -1.341 6.009 0.734 1.00 0.00 S ATOM 0 H CYS A 90 -4.329 3.916 3.131 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.392 4.416 3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -2.607 4.014 1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.567 5.447 1.396 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.486 6.645 4.239 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.547 7.955 4.929 1.00 0.00 C ATOM 1204 C VAL A 91 -0.720 8.950 4.128 1.00 0.00 C ATOM 1205 O VAL A 91 0.466 8.786 3.932 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.973 7.832 6.335 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.108 9.183 7.045 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.768 6.786 7.115 1.00 0.00 C ATOM 0 H VAL A 91 -0.564 6.210 4.203 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.582 8.290 5.003 1.00 0.00 H new ATOM 0 HB VAL A 91 0.075 7.536 6.281 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.700 9.107 8.053 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.560 9.943 6.488 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.160 9.462 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.360 6.695 8.122 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.813 7.092 7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.699 5.824 6.608 1.00 0.00 H new ATOM 1218 N THR A 92 -1.411 9.953 3.683 1.00 0.00 N ATOM 1219 CA THR A 92 -0.775 11.032 2.885 1.00 0.00 C ATOM 1220 C THR A 92 -0.532 12.148 3.885 1.00 0.00 C ATOM 1221 O THR A 92 -1.461 12.589 4.529 1.00 0.00 O ATOM 1222 CB THR A 92 -1.762 11.488 1.814 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.920 11.851 2.554 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.209 10.301 0.959 1.00 0.00 C ATOM 0 H THR A 92 -2.411 10.075 3.841 1.00 0.00 H new ATOM 0 HA THR A 92 0.145 10.723 2.388 1.00 0.00 H new ATOM 0 HB THR A 92 -1.326 12.264 1.185 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.684 12.533 3.217 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.913 10.644 0.200 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.341 9.855 0.474 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.692 9.558 1.593 1.00 0.00 H new ATOM 1232 N SER A 93 0.699 12.555 4.006 1.00 0.00 N ATOM 1233 CA SER A 93 1.022 13.616 4.996 1.00 0.00 C ATOM 1234 C SER A 93 1.679 14.829 4.340 1.00 0.00 C ATOM 1235 O SER A 93 2.468 14.706 3.422 1.00 0.00 O ATOM 1236 CB SER A 93 1.975 13.020 6.038 1.00 0.00 C ATOM 1237 OG SER A 93 1.316 11.838 6.475 1.00 0.00 O ATOM 0 H SER A 93 1.490 12.202 3.467 1.00 0.00 H new ATOM 0 HA SER A 93 0.096 13.958 5.457 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.950 12.796 5.605 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.145 13.710 6.864 1.00 0.00 H new ATOM 0 HG SER A 93 0.371 12.035 6.647 1.00 0.00 H new ATOM 1243 N SER A 94 1.268 15.967 4.833 1.00 0.00 N ATOM 1244 CA SER A 94 1.797 17.273 4.355 1.00 0.00 C ATOM 1245 C SER A 94 2.141 18.105 5.592 1.00 0.00 C ATOM 1246 O SER A 94 1.553 17.921 6.643 1.00 0.00 O ATOM 1247 CB SER A 94 0.697 18.000 3.588 1.00 0.00 C ATOM 1248 OG SER A 94 -0.036 18.646 4.620 1.00 0.00 O ATOM 0 H SER A 94 0.566 16.045 5.569 1.00 0.00 H new ATOM 0 HA SER A 94 2.667 17.127 3.715 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.107 18.715 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.074 17.308 3.022 1.00 0.00 H new ATOM 0 HG SER A 94 -0.778 19.151 4.227 1.00 0.00 H new ATOM 1254 N PRO A 95 3.032 19.041 5.411 1.00 0.00 N ATOM 1255 CA PRO A 95 3.604 19.820 6.531 1.00 0.00 C ATOM 1256 C PRO A 95 2.519 20.470 7.396 1.00 0.00 C ATOM 1257 O PRO A 95 2.824 21.121 8.375 1.00 0.00 O ATOM 1258 CB PRO A 95 4.485 20.886 5.867 1.00 0.00 C ATOM 1259 CG PRO A 95 4.573 20.532 4.353 1.00 0.00 C ATOM 1260 CD PRO A 95 3.537 19.426 4.072 1.00 0.00 C ATOM 0 HA PRO A 95 4.168 19.178 7.208 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.058 21.879 6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.478 20.900 6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.370 21.411 3.742 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.576 20.191 4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.732 19.790 3.434 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.991 18.578 3.560 1.00 0.00 H new ATOM 1268 N SER A 96 1.278 20.287 7.026 1.00 0.00 N ATOM 1269 CA SER A 96 0.185 20.893 7.832 1.00 0.00 C ATOM 1270 C SER A 96 -0.705 19.806 8.443 1.00 0.00 C ATOM 1271 O SER A 96 -1.128 19.924 9.576 1.00 0.00 O ATOM 1272 CB SER A 96 -0.654 21.786 6.914 1.00 0.00 C ATOM 1273 OG SER A 96 -1.615 22.360 7.789 1.00 0.00 O ATOM 0 H SER A 96 0.980 19.751 6.211 1.00 0.00 H new ATOM 0 HA SER A 96 0.616 21.477 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.044 22.550 6.432 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.129 21.210 6.120 1.00 0.00 H new ATOM 0 HG SER A 96 -2.204 22.957 7.282 1.00 0.00 H new ATOM 1279 N GLY A 97 -0.975 18.772 7.689 1.00 0.00 N ATOM 1280 CA GLY A 97 -1.856 17.701 8.246 1.00 0.00 C ATOM 1281 C GLY A 97 -1.704 16.375 7.496 1.00 0.00 C ATOM 1282 O GLY A 97 -0.784 16.195 6.727 1.00 0.00 O ATOM 0 H GLY A 97 -0.636 18.623 6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.619 17.550 9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.895 18.026 8.197 1.00 0.00 H new ATOM 1286 N SER A 98 -2.609 15.467 7.750 1.00 0.00 N ATOM 1287 CA SER A 98 -2.536 14.151 7.052 1.00 0.00 C ATOM 1288 C SER A 98 -3.941 13.586 6.794 1.00 0.00 C ATOM 1289 O SER A 98 -4.881 13.887 7.503 1.00 0.00 O ATOM 1290 CB SER A 98 -1.737 13.178 7.926 1.00 0.00 C ATOM 1291 OG SER A 98 -1.505 12.068 7.070 1.00 0.00 O ATOM 0 H SER A 98 -3.386 15.577 8.402 1.00 0.00 H new ATOM 0 HA SER A 98 -2.046 14.284 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.802 13.622 8.268 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.296 12.888 8.816 1.00 0.00 H new ATOM 0 HG SER A 98 -1.588 12.352 6.136 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.036 12.777 5.774 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.343 12.153 5.409 1.00 0.00 C ATOM 1299 C ASP A 99 -5.113 10.666 5.163 1.00 0.00 C ATOM 1300 O ASP A 99 -4.064 10.284 4.682 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.867 12.797 4.122 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.317 12.352 3.909 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -7.479 11.235 3.447 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -8.179 13.157 4.224 1.00 0.00 O ATOM 0 H ASP A 99 -3.256 12.518 5.170 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.067 12.298 6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.811 13.883 4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.251 12.500 3.273 1.00 0.00 H new ATOM 1309 N THR A 100 -6.093 9.855 5.459 1.00 0.00 N ATOM 1310 CA THR A 100 -5.881 8.398 5.245 1.00 0.00 C ATOM 1311 C THR A 100 -7.011 7.709 4.471 1.00 0.00 C ATOM 1312 O THR A 100 -8.178 8.026 4.600 1.00 0.00 O ATOM 1313 CB THR A 100 -5.720 7.744 6.614 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.594 8.400 7.178 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.275 6.286 6.474 1.00 0.00 C ATOM 0 H THR A 100 -7.004 10.128 5.828 1.00 0.00 H new ATOM 0 HA THR A 100 -4.990 8.281 4.628 1.00 0.00 H new ATOM 0 HB THR A 100 -6.651 7.803 7.177 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.513 8.156 8.124 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.167 5.842 7.464 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.022 5.731 5.906 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.319 6.246 5.952 1.00 0.00 H new ATOM 1323 N THR A 101 -6.577 6.769 3.679 1.00 0.00 N ATOM 1324 CA THR A 101 -7.490 5.947 2.826 1.00 0.00 C ATOM 1325 C THR A 101 -7.200 4.472 3.134 1.00 0.00 C ATOM 1326 O THR A 101 -6.046 4.113 3.216 1.00 0.00 O ATOM 1327 CB THR A 101 -7.150 6.245 1.366 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.919 6.950 1.428 1.00 0.00 O ATOM 1329 CG2 THR A 101 -8.140 7.252 0.776 1.00 0.00 C ATOM 0 H THR A 101 -5.591 6.526 3.583 1.00 0.00 H new ATOM 0 HA THR A 101 -8.540 6.170 3.015 1.00 0.00 H new ATOM 0 HB THR A 101 -7.148 5.327 0.779 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.470 6.902 0.558 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.881 7.451 -0.264 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.149 6.843 0.826 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.097 8.181 1.345 1.00 0.00 H new ATOM 1337 N TYR A 102 -8.187 3.622 3.244 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.835 2.210 3.598 1.00 0.00 C ATOM 1339 C TYR A 102 -8.023 1.167 2.493 1.00 0.00 C ATOM 1340 O TYR A 102 -9.116 0.861 2.067 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.671 1.784 4.797 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.701 2.920 5.810 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -9.512 4.011 5.595 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.929 2.860 6.945 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -9.556 5.040 6.511 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.967 3.889 7.866 1.00 0.00 C ATOM 1347 CZ TYR A 102 -8.782 4.985 7.654 1.00 0.00 C ATOM 1348 OH TYR A 102 -8.821 6.014 8.573 1.00 0.00 O ATOM 0 H TYR A 102 -9.178 3.826 3.112 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.764 2.232 3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.684 1.535 4.480 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.249 0.887 5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -10.118 4.061 4.702 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.291 2.006 7.118 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.197 5.891 6.335 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.357 3.837 8.756 1.00 0.00 H new ATOM 0 HH TYR A 102 -8.216 5.811 9.317 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.917 0.620 2.079 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.921 -0.434 1.038 1.00 0.00 C ATOM 1360 C PHE A 103 -6.773 -1.762 1.759 1.00 0.00 C ATOM 1361 O PHE A 103 -5.696 -2.128 2.181 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.706 -0.265 0.130 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.697 1.144 -0.443 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.420 2.226 0.366 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.981 1.340 -1.777 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.433 3.501 -0.150 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -5.995 2.618 -2.299 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.723 3.698 -1.482 1.00 0.00 C ATOM 0 H PHE A 103 -5.991 0.867 2.428 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.834 -0.381 0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.790 -0.447 0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.736 -0.998 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.192 2.071 1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.193 0.494 -2.414 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.216 4.345 0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.218 2.773 -3.344 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.738 4.699 -1.888 1.00 0.00 H new ATOM 1378 N SER A 104 -7.851 -2.466 1.921 1.00 0.00 N ATOM 1379 CA SER A 104 -7.695 -3.775 2.608 1.00 0.00 C ATOM 1380 C SER A 104 -7.134 -4.740 1.568 1.00 0.00 C ATOM 1381 O SER A 104 -7.663 -4.883 0.487 1.00 0.00 O ATOM 1382 CB SER A 104 -9.063 -4.261 3.097 1.00 0.00 C ATOM 1383 OG SER A 104 -9.982 -3.372 2.482 1.00 0.00 O ATOM 0 H SER A 104 -8.793 -2.211 1.625 1.00 0.00 H new ATOM 0 HA SER A 104 -7.035 -3.702 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.249 -5.294 2.802 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.136 -4.222 4.184 1.00 0.00 H new ATOM 0 HG SER A 104 -10.434 -2.841 3.171 1.00 0.00 H new ATOM 1389 N VAL A 105 -6.032 -5.356 1.888 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.435 -6.299 0.904 1.00 0.00 C ATOM 1391 C VAL A 105 -5.193 -7.639 1.593 1.00 0.00 C ATOM 1392 O VAL A 105 -4.686 -7.715 2.694 1.00 0.00 O ATOM 1393 CB VAL A 105 -4.120 -5.717 0.353 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -4.147 -4.190 0.475 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.929 -6.274 1.130 1.00 0.00 C ATOM 0 H VAL A 105 -5.528 -5.252 2.768 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.114 -6.448 0.065 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.018 -5.998 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.216 -3.777 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.987 -3.794 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.257 -3.911 1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.006 -5.855 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.024 -6.006 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.906 -7.359 1.033 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.574 -8.673 0.904 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.421 -10.035 1.485 1.00 0.00 C ATOM 1407 C ASN A 106 -4.803 -11.020 0.498 1.00 0.00 C ATOM 1408 O ASN A 106 -5.306 -11.220 -0.588 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.807 -10.530 1.893 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.734 -10.504 0.678 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -7.985 -11.623 0.057 1.00 0.00 O flip ATOM 1412 ND2 ASN A 106 -8.236 -9.470 0.284 1.00 0.00 N flip ATOM 0 H ASN A 106 -5.982 -8.638 -0.030 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.749 -9.974 2.341 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.741 -11.542 2.292 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.211 -9.901 2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.042 -8.593 0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.851 -9.479 -0.530 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.701 -11.598 0.888 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.061 -12.593 -0.018 1.00 0.00 C ATOM 1421 C VAL A 107 -3.152 -14.006 0.563 1.00 0.00 C ATOM 1422 O VAL A 107 -2.668 -14.281 1.643 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.594 -12.223 -0.222 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -0.887 -12.167 1.137 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -0.948 -13.319 -1.071 1.00 0.00 C ATOM 0 H VAL A 107 -3.224 -11.430 1.774 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.588 -12.578 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.513 -11.252 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.160 -11.903 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.366 -11.417 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.952 -13.141 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.103 -13.081 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.028 -14.275 -0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.458 -13.383 -2.032 1.00 0.00 H new ATOM 1435 N SER A 108 -3.801 -14.866 -0.172 1.00 0.00 N ATOM 1436 CA SER A 108 -3.933 -16.275 0.295 1.00 0.00 C ATOM 1437 C SER A 108 -4.273 -17.204 -0.870 1.00 0.00 C ATOM 1438 O SER A 108 -4.704 -16.766 -1.919 1.00 0.00 O ATOM 1439 CB SER A 108 -5.047 -16.353 1.340 1.00 0.00 C ATOM 1440 OG SER A 108 -5.103 -17.734 1.667 1.00 0.00 O ATOM 0 H SER A 108 -4.242 -14.657 -1.068 1.00 0.00 H new ATOM 0 HA SER A 108 -2.983 -16.591 0.727 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.820 -15.743 2.214 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.997 -15.997 0.941 1.00 0.00 H new ATOM 0 HG SER A 108 -5.798 -17.883 2.342 1.00 0.00 H new