USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 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 94 SER OG : rot 123:sc= 0.778 USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0.288 USER MOD Set 2.1: A 93 SER OG : rot 180:sc= 0.918 USER MOD Set 2.2: A 98 SER OG : rot -101:sc= 1.03 USER MOD Set 3.1: A 52 SER OG : rot 95:sc= -0.554 USER MOD Set 3.2: A 54 ASN : amide:sc= -3.69! C(o=-4.2!,f=-4!) USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 0.925 USER MOD Set 4.2: A 104 SER OG : rot 121:sc= 1.11 USER MOD Single : A 35 HIS : no HD1:sc= -1.81! C(o=-1.8!,f=-5.6!) USER MOD Single : A 41 GLN : amide:sc= -4.94! C(o=-4.9!,f=-7.6!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.333 F(o=-4.1!,f=-0.33) USER MOD Single : A 61 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.31) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -140:sc= 0.607 USER MOD Single : A 80 SER OG : rot -8:sc= 1.07! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -13:sc= 0.792 USER MOD Single : A 92 THR OG1 : rot 3:sc= 0.2! USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.355 USER MOD Single : A 101 THR OG1 : rot 130:sc= 0.188 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -2.37 K(o=-2.4,f=-4.1) USER MOD Single : A 108 SER OG : rot 9:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -11.039 4.890 3.853 1.00 0.00 N ATOM 213 CA GLU A 28 -10.612 3.486 3.691 1.00 0.00 C ATOM 214 C GLU A 28 -10.352 3.441 2.191 1.00 0.00 C ATOM 215 O GLU A 28 -10.152 4.473 1.584 1.00 0.00 O ATOM 216 CB GLU A 28 -11.763 2.539 4.068 1.00 0.00 C ATOM 217 CG GLU A 28 -12.258 2.865 5.486 1.00 0.00 C ATOM 218 CD GLU A 28 -13.695 3.394 5.400 1.00 0.00 C ATOM 219 OE1 GLU A 28 -13.811 4.596 5.233 1.00 0.00 O ATOM 220 OE2 GLU A 28 -14.586 2.565 5.492 1.00 0.00 O ATOM 0 HA GLU A 28 -9.764 3.187 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.580 2.642 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.426 1.504 4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.221 1.974 6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.610 3.608 5.950 1.00 0.00 H new ATOM 227 N VAL A 29 -10.326 2.276 1.622 1.00 0.00 N ATOM 228 CA VAL A 29 -10.119 2.210 0.143 1.00 0.00 C ATOM 229 C VAL A 29 -10.572 0.921 -0.515 1.00 0.00 C ATOM 230 O VAL A 29 -11.681 0.826 -1.003 1.00 0.00 O ATOM 231 CB VAL A 29 -8.652 2.434 -0.263 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.592 2.259 -1.784 1.00 0.00 C ATOM 233 CG2 VAL A 29 -8.223 3.865 0.030 1.00 0.00 C ATOM 0 H VAL A 29 -10.436 1.380 2.098 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.753 3.021 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.009 1.743 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.568 2.408 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.921 1.254 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.245 2.991 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.182 4.001 -0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.852 4.556 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.327 4.065 1.096 1.00 0.00 H new ATOM 243 N GLU A 30 -9.703 -0.049 -0.519 1.00 0.00 N ATOM 244 CA GLU A 30 -10.084 -1.305 -1.218 1.00 0.00 C ATOM 245 C GLU A 30 -9.611 -2.589 -0.550 1.00 0.00 C ATOM 246 O GLU A 30 -8.443 -2.793 -0.287 1.00 0.00 O ATOM 247 CB GLU A 30 -9.508 -1.251 -2.637 1.00 0.00 C ATOM 248 CG GLU A 30 -9.918 -2.526 -3.390 1.00 0.00 C ATOM 249 CD GLU A 30 -9.285 -2.532 -4.787 1.00 0.00 C ATOM 250 OE1 GLU A 30 -8.649 -1.542 -5.113 1.00 0.00 O ATOM 251 OE2 GLU A 30 -9.479 -3.537 -5.454 1.00 0.00 O ATOM 0 H GLU A 30 -8.779 -0.032 -0.086 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.173 -1.347 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.877 -0.369 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.422 -1.168 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.599 -3.407 -2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.004 -2.577 -3.473 1.00 0.00 H new ATOM 258 N SER A 31 -10.579 -3.422 -0.304 1.00 0.00 N ATOM 259 CA SER A 31 -10.287 -4.756 0.292 1.00 0.00 C ATOM 260 C SER A 31 -10.179 -5.743 -0.876 1.00 0.00 C ATOM 261 O SER A 31 -11.159 -6.058 -1.522 1.00 0.00 O ATOM 262 CB SER A 31 -11.434 -5.165 1.216 1.00 0.00 C ATOM 263 OG SER A 31 -11.601 -4.039 2.066 1.00 0.00 O ATOM 0 H SER A 31 -11.565 -3.238 -0.490 1.00 0.00 H new ATOM 0 HA SER A 31 -9.368 -4.739 0.877 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.343 -5.381 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.190 -6.063 1.784 1.00 0.00 H new ATOM 0 HG SER A 31 -12.328 -4.213 2.700 1.00 0.00 H new ATOM 269 N LEU A 32 -8.981 -6.202 -1.119 1.00 0.00 N ATOM 270 CA LEU A 32 -8.762 -7.135 -2.262 1.00 0.00 C ATOM 271 C LEU A 32 -8.084 -8.454 -1.868 1.00 0.00 C ATOM 272 O LEU A 32 -7.137 -8.498 -1.107 1.00 0.00 O ATOM 273 CB LEU A 32 -7.892 -6.413 -3.298 1.00 0.00 C ATOM 274 CG LEU A 32 -7.662 -7.333 -4.505 1.00 0.00 C ATOM 275 CD1 LEU A 32 -8.996 -7.569 -5.223 1.00 0.00 C ATOM 276 CD2 LEU A 32 -6.698 -6.639 -5.474 1.00 0.00 C ATOM 0 H LEU A 32 -8.147 -5.973 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.742 -7.404 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.378 -5.491 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.937 -6.132 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.248 -8.285 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.837 -8.222 -6.081 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.701 -8.037 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.400 -6.615 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.525 -7.281 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.131 -5.695 -5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.751 -6.446 -4.970 1.00 0.00 H new ATOM 288 N LEU A 33 -8.611 -9.505 -2.432 1.00 0.00 N ATOM 289 CA LEU A 33 -8.066 -10.866 -2.186 1.00 0.00 C ATOM 290 C LEU A 33 -7.206 -11.288 -3.379 1.00 0.00 C ATOM 291 O LEU A 33 -7.582 -11.113 -4.521 1.00 0.00 O ATOM 292 CB LEU A 33 -9.237 -11.836 -2.034 1.00 0.00 C ATOM 293 CG LEU A 33 -10.204 -11.666 -3.221 1.00 0.00 C ATOM 294 CD1 LEU A 33 -10.794 -13.033 -3.578 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.352 -10.744 -2.801 1.00 0.00 C ATOM 0 H LEU A 33 -9.411 -9.475 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.456 -10.871 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.870 -12.862 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.759 -11.648 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.671 -11.245 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.481 -12.925 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.990 -13.716 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.332 -13.433 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.042 -10.618 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.882 -11.184 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.951 -9.772 -2.512 1.00 0.00 H new ATOM 307 N VAL A 34 -6.057 -11.826 -3.078 1.00 0.00 N ATOM 308 CA VAL A 34 -5.140 -12.264 -4.169 1.00 0.00 C ATOM 309 C VAL A 34 -4.560 -13.651 -3.884 1.00 0.00 C ATOM 310 O VAL A 34 -4.605 -14.135 -2.771 1.00 0.00 O ATOM 311 CB VAL A 34 -3.999 -11.237 -4.284 1.00 0.00 C ATOM 312 CG1 VAL A 34 -4.256 -10.350 -5.506 1.00 0.00 C ATOM 313 CG2 VAL A 34 -3.973 -10.349 -3.033 1.00 0.00 C ATOM 0 H VAL A 34 -5.714 -11.981 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.699 -12.324 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.048 -11.760 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.454 -9.617 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.289 -10.968 -6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.208 -9.833 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.164 -9.624 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.923 -9.823 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.813 -10.968 -2.150 1.00 0.00 H new ATOM 323 N HIS A 35 -4.007 -14.257 -4.900 1.00 0.00 N ATOM 324 CA HIS A 35 -3.408 -15.612 -4.726 1.00 0.00 C ATOM 325 C HIS A 35 -1.956 -15.548 -5.201 1.00 0.00 C ATOM 326 O HIS A 35 -1.510 -14.517 -5.656 1.00 0.00 O ATOM 327 CB HIS A 35 -4.208 -16.598 -5.576 1.00 0.00 C ATOM 328 CG HIS A 35 -5.590 -15.995 -5.818 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.812 -14.926 -6.509 1.00 0.00 N ATOM 330 CD2 HIS A 35 -6.841 -16.390 -5.381 1.00 0.00 C ATOM 331 CE1 HIS A 35 -7.081 -14.669 -6.517 1.00 0.00 C ATOM 332 NE2 HIS A 35 -7.759 -15.555 -5.828 1.00 0.00 N ATOM 0 H HIS A 35 -3.944 -13.873 -5.843 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.434 -15.935 -3.685 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.702 -16.784 -6.523 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.294 -17.558 -5.067 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.037 -17.255 -4.765 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.526 -13.828 -7.028 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.767 -15.590 -5.673 1.00 0.00 H new ATOM 340 N PRO A 36 -1.237 -16.626 -5.041 1.00 0.00 N ATOM 341 CA PRO A 36 0.245 -16.583 -5.002 1.00 0.00 C ATOM 342 C PRO A 36 0.864 -16.277 -6.375 1.00 0.00 C ATOM 343 O PRO A 36 1.113 -17.176 -7.156 1.00 0.00 O ATOM 344 CB PRO A 36 0.663 -17.977 -4.516 1.00 0.00 C ATOM 345 CG PRO A 36 -0.604 -18.883 -4.574 1.00 0.00 C ATOM 346 CD PRO A 36 -1.819 -17.973 -4.841 1.00 0.00 C ATOM 0 HA PRO A 36 0.596 -15.784 -4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.455 -18.382 -5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.056 -17.929 -3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.505 -19.629 -5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.730 -19.424 -3.636 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.374 -18.300 -5.720 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.515 -17.984 -4.002 1.00 0.00 H new ATOM 354 N GLY A 37 1.095 -15.019 -6.646 1.00 0.00 N ATOM 355 CA GLY A 37 1.708 -14.640 -7.952 1.00 0.00 C ATOM 356 C GLY A 37 0.868 -13.587 -8.683 1.00 0.00 C ATOM 357 O GLY A 37 0.708 -13.651 -9.886 1.00 0.00 O ATOM 0 H GLY A 37 0.886 -14.240 -6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.713 -14.253 -7.784 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.808 -15.526 -8.579 1.00 0.00 H new ATOM 361 N ASP A 38 0.347 -12.641 -7.945 1.00 0.00 N ATOM 362 CA ASP A 38 -0.484 -11.584 -8.594 1.00 0.00 C ATOM 363 C ASP A 38 0.075 -10.161 -8.440 1.00 0.00 C ATOM 364 O ASP A 38 1.012 -9.899 -7.707 1.00 0.00 O ATOM 365 CB ASP A 38 -1.890 -11.625 -7.977 1.00 0.00 C ATOM 366 CG ASP A 38 -2.633 -12.887 -8.434 1.00 0.00 C ATOM 367 OD1 ASP A 38 -2.312 -13.351 -9.516 1.00 0.00 O ATOM 368 OD2 ASP A 38 -3.485 -13.311 -7.671 1.00 0.00 O ATOM 0 H ASP A 38 0.459 -12.555 -6.935 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.490 -11.802 -9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.818 -11.610 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.450 -10.738 -8.272 1.00 0.00 H new ATOM 373 N LEU A 39 -0.566 -9.280 -9.160 1.00 0.00 N ATOM 374 CA LEU A 39 -0.185 -7.842 -9.145 1.00 0.00 C ATOM 375 C LEU A 39 -1.304 -7.063 -8.454 1.00 0.00 C ATOM 376 O LEU A 39 -2.447 -7.098 -8.863 1.00 0.00 O ATOM 377 CB LEU A 39 -0.030 -7.354 -10.591 1.00 0.00 C ATOM 378 CG LEU A 39 0.648 -8.448 -11.429 1.00 0.00 C ATOM 379 CD1 LEU A 39 0.797 -7.942 -12.867 1.00 0.00 C ATOM 380 CD2 LEU A 39 2.044 -8.734 -10.865 1.00 0.00 C ATOM 0 H LEU A 39 -1.353 -9.503 -9.769 1.00 0.00 H new ATOM 0 HA LEU A 39 0.756 -7.695 -8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.006 -7.111 -11.011 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.564 -6.440 -10.616 1.00 0.00 H new ATOM 0 HG LEU A 39 0.046 -9.357 -11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.277 -8.709 -13.475 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.187 -7.718 -13.278 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.407 -7.039 -12.874 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.525 -9.510 -11.460 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.644 -7.825 -10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.957 -9.070 -9.832 1.00 0.00 H new ATOM 392 N LEU A 40 -0.926 -6.376 -7.415 1.00 0.00 N ATOM 393 CA LEU A 40 -1.918 -5.586 -6.632 1.00 0.00 C ATOM 394 C LEU A 40 -1.399 -4.162 -6.388 1.00 0.00 C ATOM 395 O LEU A 40 -0.256 -3.967 -6.032 1.00 0.00 O ATOM 396 CB LEU A 40 -2.130 -6.323 -5.300 1.00 0.00 C ATOM 397 CG LEU A 40 -2.091 -5.334 -4.136 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.389 -4.516 -4.120 1.00 0.00 C ATOM 399 CD2 LEU A 40 -2.019 -6.136 -2.852 1.00 0.00 C ATOM 0 H LEU A 40 0.033 -6.326 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.859 -5.497 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.088 -6.843 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.358 -7.081 -5.169 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.235 -4.666 -4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.364 -3.810 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.487 -3.970 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.240 -5.186 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.990 -5.457 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.896 -6.778 -2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.119 -6.751 -2.857 1.00 0.00 H new ATOM 411 N GLN A 41 -2.246 -3.188 -6.574 1.00 0.00 N ATOM 412 CA GLN A 41 -1.788 -1.787 -6.341 1.00 0.00 C ATOM 413 C GLN A 41 -2.770 -0.988 -5.476 1.00 0.00 C ATOM 414 O GLN A 41 -3.972 -1.127 -5.586 1.00 0.00 O ATOM 415 CB GLN A 41 -1.609 -1.082 -7.695 1.00 0.00 C ATOM 416 CG GLN A 41 -2.870 -1.258 -8.548 1.00 0.00 C ATOM 417 CD GLN A 41 -3.006 -2.734 -8.926 1.00 0.00 C ATOM 418 OE1 GLN A 41 -2.080 -3.344 -9.423 1.00 0.00 O ATOM 419 NE2 GLN A 41 -4.131 -3.343 -8.677 1.00 0.00 N ATOM 0 H GLN A 41 -3.216 -3.295 -6.871 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.842 -1.834 -5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.411 -0.022 -7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.746 -1.494 -8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.749 -0.927 -7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.808 -0.643 -9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.907 -2.830 -8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.235 -4.333 -8.899 1.00 0.00 H new ATOM 428 N LEU A 42 -2.205 -0.170 -4.631 1.00 0.00 N ATOM 429 CA LEU A 42 -3.020 0.691 -3.733 1.00 0.00 C ATOM 430 C LEU A 42 -2.643 2.124 -4.081 1.00 0.00 C ATOM 431 O LEU A 42 -1.522 2.524 -3.842 1.00 0.00 O ATOM 432 CB LEU A 42 -2.666 0.420 -2.253 1.00 0.00 C ATOM 433 CG LEU A 42 -1.429 -0.485 -2.131 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.877 -0.368 -0.700 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.839 -1.941 -2.363 1.00 0.00 C ATOM 0 H LEU A 42 -1.196 -0.062 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.085 0.496 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.480 1.365 -1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.514 -0.050 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.681 -0.184 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.002 -1.004 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.601 0.667 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.640 -0.684 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.963 -2.584 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.579 -2.234 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.268 -2.044 -3.360 1.00 0.00 H new ATOM 447 N ARG A 43 -3.557 2.840 -4.678 1.00 0.00 N ATOM 448 CA ARG A 43 -3.246 4.247 -5.058 1.00 0.00 C ATOM 449 C ARG A 43 -3.962 5.237 -4.146 1.00 0.00 C ATOM 450 O ARG A 43 -5.175 5.272 -4.060 1.00 0.00 O ATOM 451 CB ARG A 43 -3.681 4.460 -6.507 1.00 0.00 C ATOM 452 CG ARG A 43 -3.120 5.796 -7.001 1.00 0.00 C ATOM 453 CD ARG A 43 -3.021 5.746 -8.528 1.00 0.00 C ATOM 454 NE ARG A 43 -4.349 5.337 -9.069 1.00 0.00 N ATOM 455 CZ ARG A 43 -5.020 6.161 -9.827 1.00 0.00 C ATOM 456 NH1 ARG A 43 -4.405 6.760 -10.811 1.00 0.00 N ATOM 457 NH2 ARG A 43 -6.284 6.361 -9.576 1.00 0.00 N ATOM 0 H ARG A 43 -4.494 2.517 -4.917 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.175 4.420 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.319 3.644 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.769 4.458 -6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.766 6.617 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.139 5.980 -6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.734 6.721 -8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.251 5.038 -8.836 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.731 4.418 -8.848 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.415 6.581 -10.978 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.915 7.407 -11.413 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.732 5.877 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.824 7.001 -10.158 1.00 0.00 H new ATOM 471 N CYS A 44 -3.160 6.052 -3.518 1.00 0.00 N ATOM 472 CA CYS A 44 -3.706 7.071 -2.575 1.00 0.00 C ATOM 473 C CYS A 44 -4.264 8.300 -3.313 1.00 0.00 C ATOM 474 O CYS A 44 -4.928 8.168 -4.322 1.00 0.00 O ATOM 475 CB CYS A 44 -2.560 7.497 -1.658 1.00 0.00 C ATOM 476 SG CYS A 44 -2.933 7.763 0.092 1.00 0.00 S ATOM 0 H CYS A 44 -2.145 6.057 -3.617 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.533 6.638 -2.013 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.780 6.738 -1.722 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.139 8.421 -2.055 1.00 0.00 H new ATOM 481 N ARG A 45 -4.043 9.456 -2.742 1.00 0.00 N ATOM 482 CA ARG A 45 -4.528 10.734 -3.359 1.00 0.00 C ATOM 483 C ARG A 45 -3.454 11.816 -3.173 1.00 0.00 C ATOM 484 O ARG A 45 -2.819 11.848 -2.137 1.00 0.00 O ATOM 485 CB ARG A 45 -5.821 11.163 -2.641 1.00 0.00 C ATOM 486 CG ARG A 45 -5.586 11.157 -1.117 1.00 0.00 C ATOM 487 CD ARG A 45 -6.912 11.447 -0.391 1.00 0.00 C ATOM 488 NE ARG A 45 -7.724 10.196 -0.369 1.00 0.00 N ATOM 489 CZ ARG A 45 -8.497 9.931 0.652 1.00 0.00 C ATOM 490 NH1 ARG A 45 -7.975 9.903 1.848 1.00 0.00 N ATOM 491 NH2 ARG A 45 -9.765 9.692 0.437 1.00 0.00 N ATOM 0 H ARG A 45 -3.540 9.573 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.723 10.595 -4.422 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.120 12.158 -2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.635 10.485 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.191 10.191 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.842 11.907 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.720 11.792 0.625 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.456 12.243 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.676 9.545 -1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.980 10.086 1.974 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.563 9.698 2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.134 9.714 -0.514 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.385 9.483 1.220 1.00 0.00 H new ATOM 505 N LEU A 46 -3.249 12.684 -4.136 1.00 0.00 N ATOM 506 CA LEU A 46 -2.182 13.710 -3.910 1.00 0.00 C ATOM 507 C LEU A 46 -2.574 15.094 -4.434 1.00 0.00 C ATOM 508 O LEU A 46 -3.035 15.234 -5.549 1.00 0.00 O ATOM 509 CB LEU A 46 -0.905 13.274 -4.635 1.00 0.00 C ATOM 510 CG LEU A 46 -0.857 11.745 -4.756 1.00 0.00 C ATOM 511 CD1 LEU A 46 -0.037 11.396 -5.994 1.00 0.00 C ATOM 512 CD2 LEU A 46 -0.149 11.172 -3.525 1.00 0.00 C ATOM 0 H LEU A 46 -3.746 12.729 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.032 13.783 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.869 13.725 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.030 13.630 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.865 11.336 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.013 10.313 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.508 11.829 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.971 11.797 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.109 10.085 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.865 11.569 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.698 11.453 -2.626 1.00 0.00 H new ATOM 524 N ARG A 47 -2.318 16.107 -3.652 1.00 0.00 N ATOM 525 CA ARG A 47 -2.682 17.476 -4.121 1.00 0.00 C ATOM 526 C ARG A 47 -1.562 18.467 -3.805 1.00 0.00 C ATOM 527 O ARG A 47 -0.448 18.080 -3.511 1.00 0.00 O ATOM 528 CB ARG A 47 -3.968 17.915 -3.414 1.00 0.00 C ATOM 529 CG ARG A 47 -4.902 18.526 -4.461 1.00 0.00 C ATOM 530 CD ARG A 47 -5.694 17.398 -5.128 1.00 0.00 C ATOM 531 NE ARG A 47 -6.045 17.831 -6.512 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.278 18.104 -6.843 1.00 0.00 C ATOM 533 NH1 ARG A 47 -8.229 18.059 -5.950 1.00 0.00 N ATOM 534 NH2 ARG A 47 -7.492 18.417 -8.089 1.00 0.00 N ATOM 0 H ARG A 47 -1.883 16.051 -2.731 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.833 17.457 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.445 17.063 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.744 18.642 -2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.581 19.239 -3.992 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.327 19.076 -5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.103 16.482 -5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.597 17.178 -4.558 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.308 17.915 -7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -8.011 17.809 -4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.190 18.274 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.715 18.439 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.436 18.640 -8.404 1.00 0.00 H new ATOM 548 N ASP A 48 -1.886 19.730 -3.880 1.00 0.00 N ATOM 549 CA ASP A 48 -0.860 20.766 -3.573 1.00 0.00 C ATOM 550 C ASP A 48 -0.741 20.886 -2.052 1.00 0.00 C ATOM 551 O ASP A 48 -0.377 21.918 -1.521 1.00 0.00 O ATOM 552 CB ASP A 48 -1.319 22.101 -4.177 1.00 0.00 C ATOM 553 CG ASP A 48 -0.243 23.168 -3.942 1.00 0.00 C ATOM 554 OD1 ASP A 48 0.815 23.007 -4.527 1.00 0.00 O ATOM 555 OD2 ASP A 48 -0.544 24.081 -3.190 1.00 0.00 O ATOM 0 H ASP A 48 -2.807 20.086 -4.138 1.00 0.00 H new ATOM 0 HA ASP A 48 0.109 20.497 -3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.503 21.985 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.260 22.413 -3.724 1.00 0.00 H new ATOM 560 N ASP A 49 -1.057 19.806 -1.390 1.00 0.00 N ATOM 561 CA ASP A 49 -0.981 19.789 0.095 1.00 0.00 C ATOM 562 C ASP A 49 -0.116 18.609 0.536 1.00 0.00 C ATOM 563 O ASP A 49 1.002 18.794 0.974 1.00 0.00 O ATOM 564 CB ASP A 49 -2.395 19.634 0.658 1.00 0.00 C ATOM 565 CG ASP A 49 -3.270 20.769 0.119 1.00 0.00 C ATOM 566 OD1 ASP A 49 -2.975 21.897 0.479 1.00 0.00 O ATOM 567 OD2 ASP A 49 -4.180 20.442 -0.626 1.00 0.00 O ATOM 0 H ASP A 49 -1.365 18.933 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.541 20.716 0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.811 18.668 0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.372 19.660 1.747 1.00 0.00 H new ATOM 572 N VAL A 50 -0.636 17.419 0.394 1.00 0.00 N ATOM 573 CA VAL A 50 0.160 16.239 0.807 1.00 0.00 C ATOM 574 C VAL A 50 1.413 16.138 -0.055 1.00 0.00 C ATOM 575 O VAL A 50 1.382 16.278 -1.262 1.00 0.00 O ATOM 576 CB VAL A 50 -0.702 14.981 0.657 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.858 15.070 1.657 1.00 0.00 C ATOM 578 CG2 VAL A 50 -1.288 14.928 -0.754 1.00 0.00 C ATOM 0 H VAL A 50 -1.562 17.219 0.016 1.00 0.00 H new ATOM 0 HA VAL A 50 0.467 16.340 1.848 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.096 14.093 0.838 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.486 14.183 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.459 15.132 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.453 15.959 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.901 14.033 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.903 15.811 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.478 14.902 -1.483 1.00 0.00 H new ATOM 588 N GLN A 51 2.493 15.903 0.630 1.00 0.00 N ATOM 589 CA GLN A 51 3.815 15.782 -0.038 1.00 0.00 C ATOM 590 C GLN A 51 4.427 14.440 0.340 1.00 0.00 C ATOM 591 O GLN A 51 5.256 13.911 -0.375 1.00 0.00 O ATOM 592 CB GLN A 51 4.730 16.907 0.446 1.00 0.00 C ATOM 593 CG GLN A 51 3.988 18.238 0.325 1.00 0.00 C ATOM 594 CD GLN A 51 4.969 19.375 0.611 1.00 0.00 C ATOM 595 OE1 GLN A 51 4.995 19.897 1.806 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 5.725 19.792 -0.245 1.00 0.00 N flip ATOM 0 H GLN A 51 2.516 15.788 1.643 1.00 0.00 H new ATOM 0 HA GLN A 51 3.697 15.850 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.025 16.733 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.644 16.930 -0.147 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.566 18.346 -0.674 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.156 18.272 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.709 19.387 -1.181 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.376 20.547 -0.027 1.00 0.00 H new ATOM 605 N SER A 52 4.009 13.912 1.461 1.00 0.00 N ATOM 606 CA SER A 52 4.572 12.601 1.875 1.00 0.00 C ATOM 607 C SER A 52 3.421 11.616 1.940 1.00 0.00 C ATOM 608 O SER A 52 2.388 11.914 2.504 1.00 0.00 O ATOM 609 CB SER A 52 5.219 12.728 3.261 1.00 0.00 C ATOM 610 OG SER A 52 4.136 12.575 4.169 1.00 0.00 O ATOM 0 H SER A 52 3.320 14.322 2.091 1.00 0.00 H new ATOM 0 HA SER A 52 5.331 12.267 1.168 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.980 11.963 3.417 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.708 13.694 3.385 1.00 0.00 H new ATOM 0 HG SER A 52 4.075 11.638 4.451 1.00 0.00 H new ATOM 616 N ILE A 53 3.613 10.489 1.322 1.00 0.00 N ATOM 617 CA ILE A 53 2.554 9.455 1.348 1.00 0.00 C ATOM 618 C ILE A 53 3.185 8.231 1.989 1.00 0.00 C ATOM 619 O ILE A 53 3.971 7.526 1.386 1.00 0.00 O ATOM 620 CB ILE A 53 2.140 9.145 -0.070 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.694 10.439 -0.780 1.00 0.00 C ATOM 622 CG2 ILE A 53 0.985 8.138 -0.056 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.535 11.086 -0.021 1.00 0.00 C ATOM 0 H ILE A 53 4.455 10.241 0.802 1.00 0.00 H new ATOM 0 HA ILE A 53 1.671 9.777 1.900 1.00 0.00 H new ATOM 0 HB ILE A 53 2.987 8.718 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.531 11.135 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.389 10.215 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.685 7.914 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.308 7.221 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.139 8.562 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.229 11.999 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.306 10.393 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.854 11.328 0.993 1.00 0.00 H new ATOM 635 N ASN A 54 2.809 8.019 3.214 1.00 0.00 N ATOM 636 CA ASN A 54 3.367 6.866 3.962 1.00 0.00 C ATOM 637 C ASN A 54 2.391 5.714 3.788 1.00 0.00 C ATOM 638 O ASN A 54 1.200 5.934 3.806 1.00 0.00 O ATOM 639 CB ASN A 54 3.439 7.222 5.444 1.00 0.00 C ATOM 640 CG ASN A 54 3.120 8.700 5.677 1.00 0.00 C ATOM 641 OD1 ASN A 54 3.638 9.605 5.051 1.00 0.00 O ATOM 642 ND2 ASN A 54 2.248 8.970 6.606 1.00 0.00 N ATOM 0 H ASN A 54 2.141 8.593 3.729 1.00 0.00 H new ATOM 0 HA ASN A 54 4.362 6.607 3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.737 6.604 6.003 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.435 6.998 5.826 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.001 9.939 6.807 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.812 8.213 7.132 1.00 0.00 H new ATOM 649 N TRP A 55 2.881 4.518 3.639 1.00 0.00 N ATOM 650 CA TRP A 55 1.931 3.388 3.474 1.00 0.00 C ATOM 651 C TRP A 55 1.889 2.569 4.759 1.00 0.00 C ATOM 652 O TRP A 55 2.827 1.862 5.061 1.00 0.00 O ATOM 653 CB TRP A 55 2.421 2.518 2.322 1.00 0.00 C ATOM 654 CG TRP A 55 2.140 3.256 1.014 1.00 0.00 C ATOM 655 CD1 TRP A 55 3.027 4.013 0.313 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.959 3.256 0.376 1.00 0.00 C ATOM 657 NE1 TRP A 55 2.307 4.422 -0.719 1.00 0.00 N ATOM 658 CE2 TRP A 55 1.044 4.023 -0.765 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.216 2.614 0.706 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.065 4.162 -1.576 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.322 2.747 -0.109 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.247 3.526 -1.249 1.00 0.00 C ATOM 0 H TRP A 55 3.872 4.277 3.624 1.00 0.00 H new ATOM 0 HA TRP A 55 0.929 3.761 3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.488 2.318 2.424 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.913 1.554 2.331 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.061 4.227 0.542 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.706 5.017 -1.445 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.271 2.009 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.008 4.769 -2.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.244 2.244 0.143 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.113 3.637 -1.884 1.00 0.00 H new ATOM 673 N LEU A 56 0.783 2.607 5.450 1.00 0.00 N ATOM 674 CA LEU A 56 0.714 1.833 6.715 1.00 0.00 C ATOM 675 C LEU A 56 0.496 0.381 6.316 1.00 0.00 C ATOM 676 O LEU A 56 -0.611 -0.030 6.033 1.00 0.00 O ATOM 677 CB LEU A 56 -0.507 2.270 7.538 1.00 0.00 C ATOM 678 CG LEU A 56 -0.407 3.738 7.958 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.808 4.198 8.375 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.510 3.855 9.176 1.00 0.00 C ATOM 0 H LEU A 56 -0.057 3.129 5.199 1.00 0.00 H new ATOM 0 HA LEU A 56 1.620 1.984 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.414 2.119 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.592 1.642 8.425 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.015 4.340 7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.772 5.244 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.492 4.090 7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.158 3.588 9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.583 4.900 9.477 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.100 3.268 9.998 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.502 3.480 8.922 1.00 0.00 H new ATOM 692 N ARG A 57 1.574 -0.351 6.264 1.00 0.00 N ATOM 693 CA ARG A 57 1.451 -1.780 5.874 1.00 0.00 C ATOM 694 C ARG A 57 0.977 -2.547 7.099 1.00 0.00 C ATOM 695 O ARG A 57 1.274 -2.157 8.208 1.00 0.00 O ATOM 696 CB ARG A 57 2.823 -2.281 5.433 1.00 0.00 C ATOM 697 CG ARG A 57 2.703 -3.742 5.006 1.00 0.00 C ATOM 698 CD ARG A 57 3.277 -4.636 6.105 1.00 0.00 C ATOM 699 NE ARG A 57 2.790 -6.019 5.848 1.00 0.00 N ATOM 700 CZ ARG A 57 2.747 -6.890 6.818 1.00 0.00 C ATOM 701 NH1 ARG A 57 3.315 -6.611 7.960 1.00 0.00 N ATOM 702 NH2 ARG A 57 2.127 -8.016 6.603 1.00 0.00 N ATOM 0 H ARG A 57 2.519 -0.027 6.471 1.00 0.00 H new ATOM 0 HA ARG A 57 0.745 -1.916 5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.197 -1.676 4.607 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.540 -2.184 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.659 -3.995 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.239 -3.905 4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.367 -4.604 6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.956 -4.292 7.088 1.00 0.00 H new ATOM 0 HE ARG A 57 2.489 -6.286 4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.788 -5.717 8.089 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.285 -7.287 8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.694 -8.195 5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.075 -8.719 7.341 1.00 0.00 H new ATOM 716 N ASP A 58 0.187 -3.558 6.870 1.00 0.00 N ATOM 717 CA ASP A 58 -0.341 -4.376 8.002 1.00 0.00 C ATOM 718 C ASP A 58 -1.206 -3.493 8.901 1.00 0.00 C ATOM 719 O ASP A 58 -2.418 -3.582 8.870 1.00 0.00 O ATOM 720 CB ASP A 58 0.834 -4.941 8.806 1.00 0.00 C ATOM 721 CG ASP A 58 0.288 -5.790 9.956 1.00 0.00 C ATOM 722 OD1 ASP A 58 -0.320 -6.801 9.641 1.00 0.00 O ATOM 723 OD2 ASP A 58 0.510 -5.378 11.084 1.00 0.00 O ATOM 0 H ASP A 58 -0.118 -3.856 5.944 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.944 -5.198 7.616 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.474 -5.545 8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.448 -4.129 9.196 1.00 0.00 H new ATOM 728 N GLY A 59 -0.544 -2.684 9.688 1.00 0.00 N ATOM 729 CA GLY A 59 -1.255 -1.744 10.600 1.00 0.00 C ATOM 730 C GLY A 59 -0.282 -0.673 11.122 1.00 0.00 C ATOM 731 O GLY A 59 -0.540 -0.040 12.127 1.00 0.00 O ATOM 0 H GLY A 59 0.474 -2.636 9.736 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.081 -1.269 10.072 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.686 -2.294 11.437 1.00 0.00 H new ATOM 735 N VAL A 60 0.810 -0.490 10.425 1.00 0.00 N ATOM 736 CA VAL A 60 1.819 0.524 10.860 1.00 0.00 C ATOM 737 C VAL A 60 2.502 1.151 9.641 1.00 0.00 C ATOM 738 O VAL A 60 2.486 0.586 8.565 1.00 0.00 O ATOM 739 CB VAL A 60 2.876 -0.170 11.731 1.00 0.00 C ATOM 740 CG1 VAL A 60 2.214 -0.687 13.012 1.00 0.00 C ATOM 741 CG2 VAL A 60 3.456 -1.362 10.962 1.00 0.00 C ATOM 0 H VAL A 60 1.047 -0.999 9.573 1.00 0.00 H new ATOM 0 HA VAL A 60 1.318 1.309 11.426 1.00 0.00 H new ATOM 0 HB VAL A 60 3.667 0.537 11.979 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.961 -1.181 13.634 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.780 0.149 13.561 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.429 -1.398 12.754 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.208 -1.860 11.575 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.658 -2.065 10.725 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.916 -1.010 10.039 1.00 0.00 H new ATOM 751 N GLN A 61 3.114 2.291 9.840 1.00 0.00 N ATOM 752 CA GLN A 61 3.790 2.968 8.693 1.00 0.00 C ATOM 753 C GLN A 61 4.799 2.064 8.016 1.00 0.00 C ATOM 754 O GLN A 61 5.636 1.450 8.646 1.00 0.00 O ATOM 755 CB GLN A 61 4.551 4.188 9.168 1.00 0.00 C ATOM 756 CG GLN A 61 4.412 5.281 8.106 1.00 0.00 C ATOM 757 CD GLN A 61 5.761 5.982 7.937 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.184 6.760 8.769 1.00 0.00 O ATOM 759 NE2 GLN A 61 6.469 5.722 6.873 1.00 0.00 N ATOM 0 H GLN A 61 3.175 2.777 10.735 1.00 0.00 H new ATOM 0 HA GLN A 61 3.000 3.238 7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.157 4.534 10.123 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.601 3.943 9.326 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.091 4.848 7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.648 6.000 8.403 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.117 5.069 6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.375 6.171 6.741 1.00 0.00 H new ATOM 768 N LEU A 62 4.671 2.016 6.724 1.00 0.00 N ATOM 769 CA LEU A 62 5.594 1.177 5.930 1.00 0.00 C ATOM 770 C LEU A 62 5.606 1.585 4.464 1.00 0.00 C ATOM 771 O LEU A 62 5.185 2.654 4.062 1.00 0.00 O ATOM 772 CB LEU A 62 5.119 -0.266 5.991 1.00 0.00 C ATOM 773 CG LEU A 62 6.344 -1.181 6.182 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.881 -1.014 7.607 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.927 -2.640 5.987 1.00 0.00 C ATOM 0 H LEU A 62 3.967 2.522 6.186 1.00 0.00 H new ATOM 0 HA LEU A 62 6.594 1.299 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.417 -0.398 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.590 -0.529 5.075 1.00 0.00 H new ATOM 0 HG LEU A 62 7.111 -0.913 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.748 -1.660 7.747 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.172 0.024 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.106 -1.288 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.794 -3.287 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.162 -2.901 6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.528 -2.773 4.981 1.00 0.00 H new ATOM 787 N VAL A 63 6.101 0.626 3.738 1.00 0.00 N ATOM 788 CA VAL A 63 6.217 0.702 2.256 1.00 0.00 C ATOM 789 C VAL A 63 6.358 -0.713 1.682 1.00 0.00 C ATOM 790 O VAL A 63 5.795 -1.647 2.217 1.00 0.00 O ATOM 791 CB VAL A 63 7.424 1.558 1.881 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.323 2.939 2.536 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.708 0.874 2.372 1.00 0.00 C ATOM 0 H VAL A 63 6.446 -0.249 4.131 1.00 0.00 H new ATOM 0 HA VAL A 63 5.321 1.162 1.838 1.00 0.00 H new ATOM 0 HB VAL A 63 7.446 1.672 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.191 3.537 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.415 3.437 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.291 2.826 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.571 1.484 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.667 0.758 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.799 -0.107 1.905 1.00 0.00 H new ATOM 843 N ARG A 67 8.723 -7.618 -2.819 1.00 0.00 N ATOM 844 CA ARG A 67 8.520 -7.591 -4.299 1.00 0.00 C ATOM 845 C ARG A 67 7.485 -6.532 -4.687 1.00 0.00 C ATOM 846 O ARG A 67 6.587 -6.762 -5.477 1.00 0.00 O ATOM 847 CB ARG A 67 8.044 -8.973 -4.755 1.00 0.00 C ATOM 848 CG ARG A 67 9.229 -9.943 -4.703 1.00 0.00 C ATOM 849 CD ARG A 67 8.822 -11.237 -5.405 1.00 0.00 C ATOM 850 NE ARG A 67 10.027 -12.107 -5.533 1.00 0.00 N ATOM 851 CZ ARG A 67 10.391 -12.527 -6.714 1.00 0.00 C ATOM 852 NH1 ARG A 67 9.470 -12.831 -7.588 1.00 0.00 N ATOM 853 NH2 ARG A 67 11.664 -12.631 -6.982 1.00 0.00 N ATOM 0 HA ARG A 67 9.462 -7.338 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.238 -9.326 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.644 -8.920 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.100 -9.505 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.510 -10.144 -3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.045 -11.748 -4.836 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.406 -11.019 -6.389 1.00 0.00 H new ATOM 0 HE ARG A 67 10.561 -12.371 -4.705 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.484 -12.739 -7.343 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.736 -13.161 -8.516 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.356 -12.386 -6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.967 -12.958 -7.900 1.00 0.00 H new ATOM 867 N THR A 68 7.617 -5.368 -4.112 1.00 0.00 N ATOM 868 CA THR A 68 6.646 -4.312 -4.451 1.00 0.00 C ATOM 869 C THR A 68 7.426 -3.013 -4.642 1.00 0.00 C ATOM 870 O THR A 68 8.453 -2.792 -4.030 1.00 0.00 O ATOM 871 CB THR A 68 5.645 -4.249 -3.295 1.00 0.00 C ATOM 872 OG1 THR A 68 6.409 -3.808 -2.187 1.00 0.00 O ATOM 873 CG2 THR A 68 5.240 -5.669 -2.888 1.00 0.00 C ATOM 0 H THR A 68 8.340 -5.114 -3.439 1.00 0.00 H new ATOM 0 HA THR A 68 6.094 -4.500 -5.372 1.00 0.00 H new ATOM 0 HB THR A 68 4.783 -3.640 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.832 -3.740 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.527 -5.622 -2.065 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.780 -6.174 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.124 -6.223 -2.572 1.00 0.00 H new ATOM 881 N ARG A 69 6.902 -2.188 -5.499 1.00 0.00 N ATOM 882 CA ARG A 69 7.556 -0.895 -5.804 1.00 0.00 C ATOM 883 C ARG A 69 6.729 0.173 -5.113 1.00 0.00 C ATOM 884 O ARG A 69 5.575 0.389 -5.425 1.00 0.00 O ATOM 885 CB ARG A 69 7.546 -0.677 -7.315 1.00 0.00 C ATOM 886 CG ARG A 69 8.715 0.243 -7.671 1.00 0.00 C ATOM 887 CD ARG A 69 8.636 0.590 -9.160 1.00 0.00 C ATOM 888 NE ARG A 69 8.701 -0.678 -9.940 1.00 0.00 N ATOM 889 CZ ARG A 69 9.647 -0.837 -10.825 1.00 0.00 C ATOM 890 NH1 ARG A 69 10.660 -1.606 -10.534 1.00 0.00 N ATOM 891 NH2 ARG A 69 9.549 -0.221 -11.971 1.00 0.00 N ATOM 0 H ARG A 69 6.035 -2.360 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 69 8.591 -0.867 -5.462 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.638 -1.629 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.602 -0.232 -7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.677 1.151 -7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.662 -0.247 -7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.710 1.122 -9.377 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.457 1.251 -9.440 1.00 0.00 H new ATOM 0 HE ARG A 69 8.013 -1.415 -9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.703 -2.071 -9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.409 -1.742 -11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.743 0.373 -12.163 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.279 -0.334 -12.675 1.00 0.00 H new ATOM 905 N ILE A 70 7.321 0.761 -4.120 1.00 0.00 N ATOM 906 CA ILE A 70 6.584 1.816 -3.384 1.00 0.00 C ATOM 907 C ILE A 70 6.858 3.196 -3.928 1.00 0.00 C ATOM 908 O ILE A 70 7.980 3.661 -3.934 1.00 0.00 O ATOM 909 CB ILE A 70 7.021 1.820 -1.943 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.529 1.482 -1.930 1.00 0.00 C ATOM 911 CG2 ILE A 70 6.204 0.751 -1.237 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.174 1.903 -0.618 1.00 0.00 C ATOM 0 H ILE A 70 8.265 0.563 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 70 5.523 1.591 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 70 6.868 2.776 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.666 0.411 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.025 1.985 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.485 0.714 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.144 0.989 -1.321 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.397 -0.218 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.235 1.653 -0.637 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.057 2.978 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.693 1.380 0.208 1.00 0.00 H new ATOM 924 N THR A 71 5.814 3.821 -4.384 1.00 0.00 N ATOM 925 CA THR A 71 5.996 5.196 -4.881 1.00 0.00 C ATOM 926 C THR A 71 5.288 6.119 -3.880 1.00 0.00 C ATOM 927 O THR A 71 4.259 5.771 -3.329 1.00 0.00 O ATOM 928 CB THR A 71 5.381 5.344 -6.271 1.00 0.00 C ATOM 929 OG1 THR A 71 4.087 5.854 -6.002 1.00 0.00 O ATOM 930 CG2 THR A 71 5.137 3.981 -6.928 1.00 0.00 C ATOM 0 H THR A 71 4.866 3.446 -4.432 1.00 0.00 H new ATOM 0 HA THR A 71 7.053 5.447 -4.966 1.00 0.00 H new ATOM 0 HB THR A 71 6.023 5.945 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.437 5.429 -6.600 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.699 4.126 -7.915 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.084 3.450 -7.026 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.455 3.396 -6.311 1.00 0.00 H new ATOM 938 N GLY A 72 5.901 7.242 -3.634 1.00 0.00 N ATOM 939 CA GLY A 72 5.334 8.250 -2.691 1.00 0.00 C ATOM 940 C GLY A 72 3.851 8.565 -2.930 1.00 0.00 C ATOM 941 O GLY A 72 3.351 9.539 -2.408 1.00 0.00 O ATOM 0 H GLY A 72 6.790 7.511 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.458 7.887 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.908 9.173 -2.773 1.00 0.00 H new ATOM 945 N GLU A 73 3.196 7.805 -3.765 1.00 0.00 N ATOM 946 CA GLU A 73 1.742 8.041 -3.994 1.00 0.00 C ATOM 947 C GLU A 73 0.995 6.710 -4.155 1.00 0.00 C ATOM 948 O GLU A 73 -0.182 6.601 -3.869 1.00 0.00 O ATOM 949 CB GLU A 73 1.571 8.857 -5.271 1.00 0.00 C ATOM 950 CG GLU A 73 2.426 8.241 -6.383 1.00 0.00 C ATOM 951 CD GLU A 73 2.202 9.033 -7.675 1.00 0.00 C ATOM 952 OE1 GLU A 73 2.583 10.192 -7.671 1.00 0.00 O ATOM 953 OE2 GLU A 73 1.663 8.430 -8.589 1.00 0.00 O ATOM 0 H GLU A 73 3.602 7.035 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 73 1.332 8.574 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.523 8.873 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.869 9.891 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.480 8.263 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.157 7.195 -6.530 1.00 0.00 H new ATOM 960 N GLU A 74 1.691 5.715 -4.630 1.00 0.00 N ATOM 961 CA GLU A 74 1.022 4.407 -4.834 1.00 0.00 C ATOM 962 C GLU A 74 1.938 3.265 -4.416 1.00 0.00 C ATOM 963 O GLU A 74 3.139 3.314 -4.568 1.00 0.00 O ATOM 964 CB GLU A 74 0.687 4.267 -6.324 1.00 0.00 C ATOM 965 CG GLU A 74 0.012 2.910 -6.561 1.00 0.00 C ATOM 966 CD GLU A 74 -0.245 2.733 -8.061 1.00 0.00 C ATOM 967 OE1 GLU A 74 0.738 2.742 -8.783 1.00 0.00 O ATOM 968 OE2 GLU A 74 -1.411 2.597 -8.394 1.00 0.00 O ATOM 0 H GLU A 74 2.679 5.752 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 74 0.117 4.363 -4.227 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.027 5.075 -6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.595 4.345 -6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.646 2.105 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.927 2.856 -6.010 1.00 0.00 H new ATOM 975 N VAL A 75 1.334 2.252 -3.877 1.00 0.00 N ATOM 976 CA VAL A 75 2.130 1.066 -3.466 1.00 0.00 C ATOM 977 C VAL A 75 1.815 -0.002 -4.498 1.00 0.00 C ATOM 978 O VAL A 75 0.672 -0.390 -4.622 1.00 0.00 O ATOM 979 CB VAL A 75 1.665 0.611 -2.086 1.00 0.00 C ATOM 980 CG1 VAL A 75 1.820 -0.914 -1.984 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.554 1.233 -1.020 1.00 0.00 C ATOM 0 H VAL A 75 0.331 2.190 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 75 3.199 1.274 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 75 0.627 0.910 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.490 -1.248 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.214 -1.394 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.866 -1.184 -2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.222 0.908 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.586 0.918 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.493 2.319 -1.084 1.00 0.00 H new ATOM 991 N GLU A 76 2.792 -0.388 -5.271 1.00 0.00 N ATOM 992 CA GLU A 76 2.501 -1.446 -6.282 1.00 0.00 C ATOM 993 C GLU A 76 3.200 -2.766 -5.927 1.00 0.00 C ATOM 994 O GLU A 76 4.400 -2.862 -6.053 1.00 0.00 O ATOM 995 CB GLU A 76 3.008 -0.959 -7.645 1.00 0.00 C ATOM 996 CG GLU A 76 2.953 0.578 -7.690 1.00 0.00 C ATOM 997 CD GLU A 76 3.209 1.054 -9.124 1.00 0.00 C ATOM 998 OE1 GLU A 76 2.778 0.331 -10.006 1.00 0.00 O ATOM 999 OE2 GLU A 76 3.802 2.112 -9.250 1.00 0.00 O ATOM 0 H GLU A 76 3.748 -0.033 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 76 1.427 -1.629 -6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.029 -1.303 -7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.398 -1.380 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.980 0.928 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.699 1.000 -7.016 1.00 0.00 H new ATOM 1006 N VAL A 77 2.452 -3.765 -5.532 1.00 0.00 N ATOM 1007 CA VAL A 77 3.088 -5.072 -5.180 1.00 0.00 C ATOM 1008 C VAL A 77 2.861 -5.929 -6.426 1.00 0.00 C ATOM 1009 O VAL A 77 1.734 -6.111 -6.834 1.00 0.00 O ATOM 1010 CB VAL A 77 2.388 -5.675 -3.918 1.00 0.00 C ATOM 1011 CG1 VAL A 77 2.177 -4.571 -2.868 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.023 -6.260 -4.274 1.00 0.00 C ATOM 0 H VAL A 77 1.437 -3.734 -5.438 1.00 0.00 H new ATOM 0 HA VAL A 77 4.146 -4.997 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 77 3.028 -6.465 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.689 -4.993 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.142 -4.152 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.550 -3.784 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.559 -6.672 -3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.387 -5.476 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.148 -7.050 -5.014 1.00 0.00 H new ATOM 1022 N ARG A 78 3.901 -6.468 -7.004 1.00 0.00 N ATOM 1023 CA ARG A 78 3.675 -7.229 -8.272 1.00 0.00 C ATOM 1024 C ARG A 78 3.991 -8.702 -8.116 1.00 0.00 C ATOM 1025 O ARG A 78 4.708 -9.290 -8.902 1.00 0.00 O ATOM 1026 CB ARG A 78 4.567 -6.623 -9.352 1.00 0.00 C ATOM 1027 CG ARG A 78 3.771 -5.531 -10.055 1.00 0.00 C ATOM 1028 CD ARG A 78 3.383 -4.456 -9.040 1.00 0.00 C ATOM 1029 NE ARG A 78 2.827 -3.297 -9.796 1.00 0.00 N ATOM 1030 CZ ARG A 78 1.532 -3.141 -9.885 1.00 0.00 C ATOM 1031 NH1 ARG A 78 0.741 -4.146 -9.624 1.00 0.00 N ATOM 1032 NH2 ARG A 78 1.059 -1.975 -10.229 1.00 0.00 N ATOM 0 H ARG A 78 4.864 -6.420 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 78 2.622 -7.154 -8.543 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.474 -6.210 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.878 -7.388 -10.064 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.364 -5.092 -10.858 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.877 -5.954 -10.513 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.646 -4.843 -8.337 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.251 -4.150 -8.456 1.00 0.00 H new ATOM 0 HE ARG A 78 3.455 -2.628 -10.242 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.134 -5.047 -9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.270 -4.030 -9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.697 -1.203 -10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.051 -1.835 -10.303 1.00 0.00 H new ATOM 1046 N ASP A 79 3.435 -9.264 -7.085 1.00 0.00 N ATOM 1047 CA ASP A 79 3.708 -10.695 -6.832 1.00 0.00 C ATOM 1048 C ASP A 79 2.679 -11.282 -5.881 1.00 0.00 C ATOM 1049 O ASP A 79 2.352 -12.447 -5.974 1.00 0.00 O ATOM 1050 CB ASP A 79 5.098 -10.808 -6.214 1.00 0.00 C ATOM 1051 CG ASP A 79 5.566 -12.268 -6.255 1.00 0.00 C ATOM 1052 OD1 ASP A 79 4.832 -13.095 -5.740 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.644 -12.472 -6.789 1.00 0.00 O ATOM 0 H ASP A 79 2.815 -8.803 -6.419 1.00 0.00 H new ATOM 0 HA ASP A 79 3.654 -11.248 -7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.800 -10.176 -6.757 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.079 -10.451 -5.184 1.00 0.00 H new ATOM 1058 N SER A 80 2.186 -10.443 -5.004 1.00 0.00 N ATOM 1059 CA SER A 80 1.232 -10.932 -3.969 1.00 0.00 C ATOM 1060 C SER A 80 1.996 -12.035 -3.223 1.00 0.00 C ATOM 1061 O SER A 80 1.980 -13.193 -3.592 1.00 0.00 O ATOM 1062 CB SER A 80 -0.037 -11.476 -4.637 1.00 0.00 C ATOM 1063 OG SER A 80 0.361 -12.754 -5.099 1.00 0.00 O ATOM 0 H SER A 80 2.403 -9.447 -4.962 1.00 0.00 H new ATOM 0 HA SER A 80 0.904 -10.146 -3.289 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.866 -11.543 -3.932 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.366 -10.837 -5.456 1.00 0.00 H new ATOM 0 HG SER A 80 1.327 -12.861 -4.973 1.00 0.00 H new ATOM 1069 N ILE A 81 2.659 -11.626 -2.177 1.00 0.00 N ATOM 1070 CA ILE A 81 3.479 -12.583 -1.389 1.00 0.00 C ATOM 1071 C ILE A 81 2.937 -12.524 0.027 1.00 0.00 C ATOM 1072 O ILE A 81 2.333 -11.534 0.377 1.00 0.00 O ATOM 1073 CB ILE A 81 4.939 -12.103 -1.423 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.980 -10.569 -1.250 1.00 0.00 C ATOM 1075 CG2 ILE A 81 5.540 -12.459 -2.786 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.395 -10.164 -0.825 1.00 0.00 C ATOM 0 H ILE A 81 2.667 -10.665 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 81 3.437 -13.600 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 81 5.502 -12.579 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.709 -10.075 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.255 -10.253 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.577 -12.124 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.502 -13.539 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.970 -11.968 -3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.441 -9.082 -0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.645 -10.651 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.107 -10.470 -1.592 1.00 0.00 H new ATOM 1088 N PRO A 82 3.159 -13.545 0.811 1.00 0.00 N ATOM 1089 CA PRO A 82 2.544 -13.644 2.154 1.00 0.00 C ATOM 1090 C PRO A 82 2.447 -12.263 2.817 1.00 0.00 C ATOM 1091 O PRO A 82 1.530 -11.978 3.562 1.00 0.00 O ATOM 1092 CB PRO A 82 3.466 -14.598 2.920 1.00 0.00 C ATOM 1093 CG PRO A 82 4.306 -15.362 1.847 1.00 0.00 C ATOM 1094 CD PRO A 82 4.106 -14.640 0.495 1.00 0.00 C ATOM 0 HA PRO A 82 1.519 -14.013 2.127 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.115 -14.047 3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.886 -15.294 3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.360 -15.373 2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.984 -16.401 1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.048 -14.253 0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.701 -15.313 -0.261 1.00 0.00 H new ATOM 1102 N ALA A 83 3.401 -11.429 2.509 1.00 0.00 N ATOM 1103 CA ALA A 83 3.408 -10.054 3.083 1.00 0.00 C ATOM 1104 C ALA A 83 2.039 -9.364 2.989 1.00 0.00 C ATOM 1105 O ALA A 83 1.608 -8.736 3.932 1.00 0.00 O ATOM 1106 CB ALA A 83 4.441 -9.219 2.325 1.00 0.00 C ATOM 0 H ALA A 83 4.178 -11.641 1.883 1.00 0.00 H new ATOM 0 HA ALA A 83 3.656 -10.135 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.461 -8.208 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.426 -9.673 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.174 -9.180 1.269 1.00 0.00 H new ATOM 1112 N ASP A 84 1.381 -9.543 1.876 1.00 0.00 N ATOM 1113 CA ASP A 84 0.062 -8.897 1.646 1.00 0.00 C ATOM 1114 C ASP A 84 -1.054 -9.515 2.494 1.00 0.00 C ATOM 1115 O ASP A 84 -2.203 -9.535 2.099 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.266 -9.036 0.159 1.00 0.00 C ATOM 1117 CG ASP A 84 0.846 -8.361 -0.652 1.00 0.00 C ATOM 1118 OD1 ASP A 84 0.767 -7.150 -0.779 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.710 -9.101 -1.094 1.00 0.00 O ATOM 0 H ASP A 84 1.711 -10.121 1.103 1.00 0.00 H new ATOM 0 HA ASP A 84 0.125 -7.850 1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.348 -10.088 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.228 -8.574 -0.061 1.00 0.00 H new ATOM 1124 N SER A 85 -0.671 -10.112 3.589 1.00 0.00 N ATOM 1125 CA SER A 85 -1.689 -10.678 4.518 1.00 0.00 C ATOM 1126 C SER A 85 -1.920 -9.664 5.651 1.00 0.00 C ATOM 1127 O SER A 85 -1.451 -9.857 6.755 1.00 0.00 O ATOM 1128 CB SER A 85 -1.154 -11.993 5.091 1.00 0.00 C ATOM 1129 OG SER A 85 -2.209 -12.452 5.923 1.00 0.00 O ATOM 0 H SER A 85 0.299 -10.232 3.880 1.00 0.00 H new ATOM 0 HA SER A 85 -2.628 -10.870 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.925 -12.710 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.236 -11.839 5.657 1.00 0.00 H new ATOM 0 HG SER A 85 -1.953 -13.302 6.337 1.00 0.00 H new ATOM 1135 N GLY A 86 -2.633 -8.603 5.367 1.00 0.00 N ATOM 1136 CA GLY A 86 -2.866 -7.583 6.434 1.00 0.00 C ATOM 1137 C GLY A 86 -3.519 -6.311 5.874 1.00 0.00 C ATOM 1138 O GLY A 86 -4.030 -6.292 4.771 1.00 0.00 O ATOM 0 H GLY A 86 -3.056 -8.401 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.503 -8.007 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.917 -7.327 6.906 1.00 0.00 H new ATOM 1142 N LEU A 87 -3.481 -5.250 6.635 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.115 -4.003 6.129 1.00 0.00 C ATOM 1144 C LEU A 87 -3.065 -3.104 5.478 1.00 0.00 C ATOM 1145 O LEU A 87 -2.071 -2.760 6.085 1.00 0.00 O ATOM 1146 CB LEU A 87 -4.761 -3.269 7.310 1.00 0.00 C ATOM 1147 CG LEU A 87 -6.123 -2.711 6.877 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -6.770 -2.011 8.076 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -5.917 -1.683 5.760 1.00 0.00 C ATOM 0 H LEU A 87 -3.051 -5.193 7.558 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.869 -4.252 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.885 -3.950 8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.114 -2.459 7.648 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.759 -3.521 6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.740 -1.609 7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.904 -2.727 8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.127 -1.198 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.883 -1.284 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.289 -0.870 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.432 -2.162 4.909 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.309 -2.751 4.246 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.359 -1.862 3.532 1.00 0.00 C ATOM 1163 C TYR A 88 -3.055 -0.524 3.376 1.00 0.00 C ATOM 1164 O TYR A 88 -3.813 -0.294 2.456 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.050 -2.448 2.162 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.046 -3.573 2.370 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.463 -4.807 2.819 1.00 0.00 C ATOM 1168 CD2 TYR A 88 0.298 -3.344 2.174 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.546 -5.801 3.073 1.00 0.00 C ATOM 1170 CE2 TYR A 88 1.216 -4.336 2.431 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.803 -5.572 2.885 1.00 0.00 C ATOM 1172 OH TYR A 88 1.730 -6.551 3.178 1.00 0.00 O ATOM 0 H TYR A 88 -4.125 -3.041 3.706 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.422 -1.756 4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.958 -2.825 1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.641 -1.685 1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.515 -4.995 2.972 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.633 -2.381 1.817 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.883 -6.766 3.421 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.268 -4.146 2.276 1.00 0.00 H new ATOM 0 HH TYR A 88 1.301 -7.264 3.696 1.00 0.00 H new ATOM 1182 N ALA A 89 -2.787 0.335 4.312 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.435 1.669 4.265 1.00 0.00 C ATOM 1184 C ALA A 89 -2.406 2.713 3.854 1.00 0.00 C ATOM 1185 O ALA A 89 -1.220 2.456 3.828 1.00 0.00 O ATOM 1186 CB ALA A 89 -3.984 1.998 5.655 1.00 0.00 C ATOM 0 H ALA A 89 -2.156 0.176 5.098 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.250 1.667 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.463 2.977 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.714 1.243 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.166 2.009 6.376 1.00 0.00 H new ATOM 1192 N CYS A 90 -2.902 3.869 3.527 1.00 0.00 N ATOM 1193 CA CYS A 90 -1.995 4.970 3.114 1.00 0.00 C ATOM 1194 C CYS A 90 -2.333 6.234 3.877 1.00 0.00 C ATOM 1195 O CYS A 90 -3.489 6.567 4.040 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.177 5.260 1.633 1.00 0.00 C ATOM 1197 SG CYS A 90 -1.429 6.791 1.027 1.00 0.00 S ATOM 0 H CYS A 90 -3.896 4.099 3.528 1.00 0.00 H new ATOM 0 HA CYS A 90 -0.969 4.665 3.321 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.761 4.427 1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.245 5.291 1.418 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.297 6.903 4.298 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.477 8.176 5.042 1.00 0.00 C ATOM 1204 C VAL A 91 -0.781 9.266 4.241 1.00 0.00 C ATOM 1205 O VAL A 91 0.413 9.227 4.022 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.826 8.079 6.417 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.332 9.233 7.287 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.216 6.756 7.069 1.00 0.00 C ATOM 0 H VAL A 91 -0.328 6.619 4.157 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.537 8.391 5.174 1.00 0.00 H new ATOM 0 HB VAL A 91 0.258 8.132 6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.873 9.173 8.274 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.069 10.183 6.821 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.415 9.166 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.752 6.684 8.053 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.300 6.708 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.876 5.929 6.446 1.00 0.00 H new ATOM 1218 N THR A 92 -1.564 10.221 3.846 1.00 0.00 N ATOM 1219 CA THR A 92 -1.035 11.349 3.038 1.00 0.00 C ATOM 1220 C THR A 92 -0.871 12.517 3.998 1.00 0.00 C ATOM 1221 O THR A 92 -1.802 12.851 4.701 1.00 0.00 O ATOM 1222 CB THR A 92 -2.059 11.697 1.955 1.00 0.00 C ATOM 1223 OG1 THR A 92 -3.156 12.231 2.680 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.632 10.426 1.321 1.00 0.00 C ATOM 0 H THR A 92 -2.562 10.271 4.050 1.00 0.00 H new ATOM 0 HA THR A 92 -0.088 11.106 2.555 1.00 0.00 H new ATOM 0 HB THR A 92 -1.609 12.338 1.197 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.931 12.269 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.358 10.697 0.554 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.825 9.849 0.869 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.122 9.826 2.088 1.00 0.00 H new ATOM 1232 N SER A 93 0.298 13.092 4.010 1.00 0.00 N ATOM 1233 CA SER A 93 0.542 14.222 4.945 1.00 0.00 C ATOM 1234 C SER A 93 1.081 15.458 4.236 1.00 0.00 C ATOM 1235 O SER A 93 1.896 15.370 3.334 1.00 0.00 O ATOM 1236 CB SER A 93 1.555 13.773 6.000 1.00 0.00 C ATOM 1237 OG SER A 93 0.844 12.796 6.747 1.00 0.00 O ATOM 0 H SER A 93 1.087 12.831 3.419 1.00 0.00 H new ATOM 0 HA SER A 93 -0.412 14.493 5.398 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.452 13.355 5.543 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.875 14.604 6.628 1.00 0.00 H new ATOM 0 HG SER A 93 1.421 12.443 7.457 1.00 0.00 H new ATOM 1243 N SER A 94 0.547 16.563 4.685 1.00 0.00 N ATOM 1244 CA SER A 94 0.926 17.904 4.167 1.00 0.00 C ATOM 1245 C SER A 94 1.235 18.781 5.381 1.00 0.00 C ATOM 1246 O SER A 94 0.693 18.568 6.449 1.00 0.00 O ATOM 1247 CB SER A 94 -0.274 18.511 3.450 1.00 0.00 C ATOM 1248 OG SER A 94 -1.070 18.988 4.525 1.00 0.00 O ATOM 0 H SER A 94 -0.163 16.587 5.417 1.00 0.00 H new ATOM 0 HA SER A 94 1.776 17.833 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.021 19.315 2.776 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.804 17.771 2.850 1.00 0.00 H new ATOM 0 HG SER A 94 -1.235 19.947 4.409 1.00 0.00 H new ATOM 1254 N PRO A 95 2.041 19.786 5.161 1.00 0.00 N ATOM 1255 CA PRO A 95 2.549 20.646 6.252 1.00 0.00 C ATOM 1256 C PRO A 95 1.416 21.232 7.101 1.00 0.00 C ATOM 1257 O PRO A 95 1.666 21.965 8.038 1.00 0.00 O ATOM 1258 CB PRO A 95 3.336 21.758 5.546 1.00 0.00 C ATOM 1259 CG PRO A 95 3.458 21.355 4.048 1.00 0.00 C ATOM 1260 CD PRO A 95 2.505 20.168 3.808 1.00 0.00 C ATOM 0 HA PRO A 95 3.165 20.077 6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.824 22.715 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.323 21.876 5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.196 22.194 3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.484 21.077 3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.670 20.452 3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.017 19.341 3.316 1.00 0.00 H new ATOM 1268 N SER A 96 0.195 20.903 6.767 1.00 0.00 N ATOM 1269 CA SER A 96 -0.945 21.439 7.558 1.00 0.00 C ATOM 1270 C SER A 96 -1.730 20.304 8.222 1.00 0.00 C ATOM 1271 O SER A 96 -2.158 20.432 9.352 1.00 0.00 O ATOM 1272 CB SER A 96 -1.868 22.215 6.615 1.00 0.00 C ATOM 1273 OG SER A 96 -2.230 21.256 5.631 1.00 0.00 O ATOM 0 H SER A 96 -0.057 20.293 5.989 1.00 0.00 H new ATOM 0 HA SER A 96 -0.562 22.092 8.342 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.743 22.601 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.359 23.071 6.172 1.00 0.00 H new ATOM 0 HG SER A 96 -2.830 21.670 4.976 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.908 19.215 7.518 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.689 18.099 8.133 1.00 0.00 C ATOM 1281 C GLY A 97 -2.432 16.751 7.455 1.00 0.00 C ATOM 1282 O GLY A 97 -1.528 16.613 6.655 1.00 0.00 O ATOM 0 H GLY A 97 -1.559 19.052 6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.435 18.023 9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.752 18.332 8.077 1.00 0.00 H new ATOM 1286 N SER A 98 -3.238 15.784 7.804 1.00 0.00 N ATOM 1287 CA SER A 98 -3.077 14.430 7.199 1.00 0.00 C ATOM 1288 C SER A 98 -4.435 13.794 6.874 1.00 0.00 C ATOM 1289 O SER A 98 -5.434 14.071 7.510 1.00 0.00 O ATOM 1290 CB SER A 98 -2.329 13.538 8.193 1.00 0.00 C ATOM 1291 OG SER A 98 -1.056 14.158 8.306 1.00 0.00 O ATOM 0 H SER A 98 -3.998 15.872 8.479 1.00 0.00 H new ATOM 0 HA SER A 98 -2.520 14.529 6.267 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.840 13.493 9.155 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.245 12.514 7.829 1.00 0.00 H new ATOM 0 HG SER A 98 -0.405 13.671 7.758 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.422 12.950 5.876 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.667 12.244 5.447 1.00 0.00 C ATOM 1299 C ASP A 99 -5.312 10.771 5.238 1.00 0.00 C ATOM 1300 O ASP A 99 -4.207 10.466 4.838 1.00 0.00 O ATOM 1301 CB ASP A 99 -6.149 12.846 4.122 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.653 12.601 3.976 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -8.023 11.441 4.031 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -8.347 13.593 3.817 1.00 0.00 O ATOM 0 H ASP A 99 -3.591 12.716 5.333 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.454 12.347 6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.938 13.915 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.612 12.395 3.287 1.00 0.00 H new ATOM 1309 N THR A 100 -6.239 9.885 5.480 1.00 0.00 N ATOM 1310 CA THR A 100 -5.889 8.448 5.298 1.00 0.00 C ATOM 1311 C THR A 100 -6.921 7.656 4.485 1.00 0.00 C ATOM 1312 O THR A 100 -8.101 7.942 4.485 1.00 0.00 O ATOM 1313 CB THR A 100 -5.735 7.827 6.684 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.726 8.612 7.302 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.111 6.430 6.593 1.00 0.00 C ATOM 0 H THR A 100 -7.192 10.083 5.785 1.00 0.00 H new ATOM 0 HA THR A 100 -4.963 8.401 4.724 1.00 0.00 H new ATOM 0 HB THR A 100 -6.700 7.781 7.189 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.562 8.279 8.209 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.012 6.010 7.594 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.750 5.785 5.990 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.127 6.501 6.130 1.00 0.00 H new ATOM 1323 N THR A 101 -6.395 6.674 3.805 1.00 0.00 N ATOM 1324 CA THR A 101 -7.224 5.768 2.951 1.00 0.00 C ATOM 1325 C THR A 101 -6.806 4.320 3.253 1.00 0.00 C ATOM 1326 O THR A 101 -5.663 4.098 3.593 1.00 0.00 O ATOM 1327 CB THR A 101 -6.943 6.115 1.483 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.910 7.089 1.529 1.00 0.00 O ATOM 1329 CG2 THR A 101 -8.134 6.860 0.877 1.00 0.00 C ATOM 0 H THR A 101 -5.399 6.454 3.804 1.00 0.00 H new ATOM 0 HA THR A 101 -8.289 5.884 3.151 1.00 0.00 H new ATOM 0 HB THR A 101 -6.719 5.211 0.917 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.189 6.830 0.918 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.921 7.100 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.022 6.230 0.930 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.308 7.781 1.433 1.00 0.00 H new ATOM 1337 N TYR A 102 -7.685 3.361 3.089 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.277 1.956 3.430 1.00 0.00 C ATOM 1339 C TYR A 102 -7.561 0.866 2.391 1.00 0.00 C ATOM 1340 O TYR A 102 -8.680 0.657 1.969 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.006 1.513 4.697 1.00 0.00 C ATOM 1342 CG TYR A 102 -7.553 2.347 5.889 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -7.795 3.701 5.924 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -6.931 1.743 6.957 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -7.425 4.448 7.022 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -6.555 2.487 8.058 1.00 0.00 C ATOM 1347 CZ TYR A 102 -6.801 3.846 8.097 1.00 0.00 C ATOM 1348 OH TYR A 102 -6.428 4.591 9.196 1.00 0.00 O ATOM 0 H TYR A 102 -8.638 3.479 2.745 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.193 2.033 3.518 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.082 1.617 4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.809 0.458 4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.278 4.182 5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.736 0.681 6.934 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.624 5.509 7.042 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.067 2.005 8.892 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.003 4.007 9.858 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.522 0.158 2.049 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.643 -0.981 1.102 1.00 0.00 C ATOM 1360 C PHE A 103 -6.428 -2.259 1.909 1.00 0.00 C ATOM 1361 O PHE A 103 -5.327 -2.540 2.337 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.535 -0.928 0.056 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.536 0.425 -0.638 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.110 1.553 0.033 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.926 0.515 -1.956 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.073 2.768 -0.612 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -5.885 1.730 -2.606 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.460 2.855 -1.931 1.00 0.00 C ATOM 0 H PHE A 103 -5.577 0.325 2.393 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.615 -0.944 0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.569 -1.102 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.678 -1.722 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.805 1.482 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.264 -0.367 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.741 3.651 -0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.185 1.801 -3.641 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.431 3.808 -2.439 1.00 0.00 H new ATOM 1378 N SER A 104 -7.458 -3.018 2.140 1.00 0.00 N ATOM 1379 CA SER A 104 -7.210 -4.268 2.907 1.00 0.00 C ATOM 1380 C SER A 104 -6.631 -5.250 1.894 1.00 0.00 C ATOM 1381 O SER A 104 -7.230 -5.488 0.867 1.00 0.00 O ATOM 1382 CB SER A 104 -8.534 -4.812 3.455 1.00 0.00 C ATOM 1383 OG SER A 104 -9.331 -3.656 3.658 1.00 0.00 O ATOM 0 H SER A 104 -8.419 -2.842 1.848 1.00 0.00 H new ATOM 0 HA SER A 104 -6.541 -4.105 3.752 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.003 -5.500 2.751 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.384 -5.360 4.385 1.00 0.00 H new ATOM 0 HG SER A 104 -10.149 -3.725 3.123 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.477 -5.795 2.160 1.00 0.00 N ATOM 1390 CA VAL A 105 -4.923 -6.739 1.152 1.00 0.00 C ATOM 1391 C VAL A 105 -4.674 -8.095 1.783 1.00 0.00 C ATOM 1392 O VAL A 105 -4.046 -8.205 2.816 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.608 -6.202 0.580 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.085 -7.275 -0.366 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -3.909 -4.921 -0.205 1.00 0.00 C ATOM 0 H VAL A 105 -4.913 -5.637 2.995 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.651 -6.841 0.347 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.879 -5.977 1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.144 -6.945 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.922 -8.200 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.814 -7.449 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.983 -4.523 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.603 -5.145 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.355 -4.182 0.461 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.189 -9.103 1.137 1.00 0.00 N ATOM 1406 CA ASN A 106 -4.987 -10.468 1.691 1.00 0.00 C ATOM 1407 C ASN A 106 -4.561 -11.469 0.627 1.00 0.00 C ATOM 1408 O ASN A 106 -5.278 -11.752 -0.312 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.287 -10.931 2.353 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.453 -10.943 1.365 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -7.892 -9.916 0.885 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -8.014 -12.085 1.081 1.00 0.00 N ATOM 0 H ASN A 106 -5.727 -9.045 0.272 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.180 -10.420 2.422 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.149 -11.931 2.765 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.525 -10.272 3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.820 -12.116 0.457 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.647 -12.948 1.483 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.358 -11.949 0.775 1.00 0.00 N ATOM 1420 CA VAL A 107 -2.871 -12.954 -0.207 1.00 0.00 C ATOM 1421 C VAL A 107 -2.949 -14.366 0.380 1.00 0.00 C ATOM 1422 O VAL A 107 -2.385 -14.659 1.416 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.428 -12.631 -0.582 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -0.555 -12.698 0.673 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -0.953 -13.689 -1.581 1.00 0.00 C ATOM 0 H VAL A 107 -2.704 -11.696 1.516 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.502 -12.915 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.359 -11.634 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.478 -12.468 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.913 -11.974 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.606 -13.700 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.078 -13.482 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.011 -14.676 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.587 -13.664 -2.467 1.00 0.00 H new ATOM 1435 N SER A 108 -3.677 -15.202 -0.306 1.00 0.00 N ATOM 1436 CA SER A 108 -3.829 -16.611 0.142 1.00 0.00 C ATOM 1437 C SER A 108 -4.286 -17.466 -1.042 1.00 0.00 C ATOM 1438 O SER A 108 -5.038 -17.013 -1.882 1.00 0.00 O ATOM 1439 CB SER A 108 -4.870 -16.669 1.265 1.00 0.00 C ATOM 1440 OG SER A 108 -4.131 -16.326 2.427 1.00 0.00 O ATOM 0 H SER A 108 -4.176 -14.966 -1.164 1.00 0.00 H new ATOM 0 HA SER A 108 -2.878 -16.993 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 108 -5.688 -15.970 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.312 -17.662 1.350 1.00 0.00 H new ATOM 0 HG SER A 108 -3.235 -16.026 2.168 1.00 0.00 H new