USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 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= -4.18! C(o=-4.3!,f=-3.6!) USER MOD Set 1.2: A 93 SER OG : rot -79:sc= 0.298 USER MOD Set 1.3: A 98 SER OG : rot 176:sc= 0.278 USER MOD Set 2.1: A 94 SER OG : rot 119:sc= 0.877 USER MOD Set 2.2: A 96 SER OG : rot 180:sc= 0.348 USER MOD Set 3.1: A 31 SER OG : rot -78:sc= 1.03 USER MOD Set 3.2: A 104 SER OG : rot -85:sc= 2.06 USER MOD Single : A 35 HIS : no HD1:sc= -0.0503 X(o=-0.05,f=-0.0015) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.72! C(o=-7.2!,f=-3.7!) USER MOD Single : A 51 GLN :FLIP amide:sc= -1.48 F(o=-3.1!,f=-1.5) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.751 X(o=-0.75,f=-0.26) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -80:sc= 0.661 USER MOD Single : A 80 SER OG : rot -70:sc= -0.264 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot -36:sc= -1.49! USER MOD Single : A 92 THR OG1 : rot 7:sc= -0.495 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 101 THR OG1 : rot 120:sc= 0.709 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.68 X(o=-1.7,f=-1.7) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -12.826 1.919 3.511 1.00 0.00 N ATOM 213 CA GLU A 28 -11.399 2.320 3.633 1.00 0.00 C ATOM 214 C GLU A 28 -10.951 2.915 2.293 1.00 0.00 C ATOM 215 O GLU A 28 -10.749 4.106 2.166 1.00 0.00 O ATOM 216 CB GLU A 28 -10.567 1.075 3.958 1.00 0.00 C ATOM 217 CG GLU A 28 -10.920 0.579 5.363 1.00 0.00 C ATOM 218 CD GLU A 28 -9.973 -0.569 5.731 1.00 0.00 C ATOM 219 OE1 GLU A 28 -9.905 -1.489 4.933 1.00 0.00 O ATOM 220 OE2 GLU A 28 -9.372 -0.455 6.787 1.00 0.00 O ATOM 0 HA GLU A 28 -11.267 3.058 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.762 0.292 3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.504 1.309 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.828 1.391 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.955 0.240 5.395 1.00 0.00 H new ATOM 227 N VAL A 29 -10.731 2.033 1.359 1.00 0.00 N ATOM 228 CA VAL A 29 -10.353 2.439 -0.027 1.00 0.00 C ATOM 229 C VAL A 29 -10.630 1.273 -0.951 1.00 0.00 C ATOM 230 O VAL A 29 -11.530 1.318 -1.766 1.00 0.00 O ATOM 231 CB VAL A 29 -8.878 2.808 -0.183 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.522 2.654 -1.664 1.00 0.00 C ATOM 233 CG2 VAL A 29 -8.684 4.282 0.139 1.00 0.00 C ATOM 0 H VAL A 29 -10.798 1.025 1.500 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.939 3.327 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.273 2.181 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.473 2.910 -1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.692 1.623 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.147 3.320 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.632 4.543 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.282 4.885 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.999 4.475 1.165 1.00 0.00 H new ATOM 243 N GLU A 30 -9.835 0.253 -0.771 1.00 0.00 N ATOM 244 CA GLU A 30 -10.007 -0.944 -1.641 1.00 0.00 C ATOM 245 C GLU A 30 -9.693 -2.265 -0.936 1.00 0.00 C ATOM 246 O GLU A 30 -8.562 -2.551 -0.599 1.00 0.00 O ATOM 247 CB GLU A 30 -9.086 -0.794 -2.855 1.00 0.00 C ATOM 248 CG GLU A 30 -9.254 -2.009 -3.781 1.00 0.00 C ATOM 249 CD GLU A 30 -10.714 -2.109 -4.234 1.00 0.00 C ATOM 250 OE1 GLU A 30 -11.460 -2.760 -3.520 1.00 0.00 O ATOM 251 OE2 GLU A 30 -10.999 -1.523 -5.265 1.00 0.00 O ATOM 0 H GLU A 30 -9.091 0.196 -0.076 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.058 -0.987 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.324 0.123 -3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.049 -0.712 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.599 -1.913 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.961 -2.920 -3.260 1.00 0.00 H new ATOM 258 N SER A 31 -10.724 -3.037 -0.732 1.00 0.00 N ATOM 259 CA SER A 31 -10.534 -4.370 -0.089 1.00 0.00 C ATOM 260 C SER A 31 -10.449 -5.439 -1.186 1.00 0.00 C ATOM 261 O SER A 31 -11.424 -5.728 -1.852 1.00 0.00 O ATOM 262 CB SER A 31 -11.727 -4.675 0.817 1.00 0.00 C ATOM 263 OG SER A 31 -11.944 -3.463 1.524 1.00 0.00 O ATOM 0 H SER A 31 -11.686 -2.805 -0.981 1.00 0.00 H new ATOM 0 HA SER A 31 -9.620 -4.367 0.505 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.605 -4.961 0.237 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.511 -5.500 1.496 1.00 0.00 H new ATOM 0 HG SER A 31 -11.288 -3.385 2.248 1.00 0.00 H new ATOM 269 N LEU A 32 -9.280 -5.998 -1.347 1.00 0.00 N ATOM 270 CA LEU A 32 -9.100 -7.037 -2.404 1.00 0.00 C ATOM 271 C LEU A 32 -8.284 -8.256 -1.942 1.00 0.00 C ATOM 272 O LEU A 32 -7.415 -8.180 -1.095 1.00 0.00 O ATOM 273 CB LEU A 32 -8.395 -6.378 -3.598 1.00 0.00 C ATOM 274 CG LEU A 32 -8.207 -7.409 -4.721 1.00 0.00 C ATOM 275 CD1 LEU A 32 -9.581 -7.850 -5.240 1.00 0.00 C ATOM 276 CD2 LEU A 32 -7.438 -6.752 -5.870 1.00 0.00 C ATOM 0 H LEU A 32 -8.448 -5.783 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.088 -7.415 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.983 -5.535 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.428 -5.982 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.659 -8.272 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.451 -8.582 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.151 -8.298 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.119 -6.984 -5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.298 -7.474 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.002 -5.898 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.465 -6.415 -5.511 1.00 0.00 H new ATOM 288 N LEU A 33 -8.612 -9.373 -2.535 1.00 0.00 N ATOM 289 CA LEU A 33 -7.907 -10.648 -2.226 1.00 0.00 C ATOM 290 C LEU A 33 -6.942 -10.990 -3.366 1.00 0.00 C ATOM 291 O LEU A 33 -7.199 -10.690 -4.516 1.00 0.00 O ATOM 292 CB LEU A 33 -8.951 -11.759 -2.099 1.00 0.00 C ATOM 293 CG LEU A 33 -9.792 -11.822 -3.389 1.00 0.00 C ATOM 294 CD1 LEU A 33 -10.161 -13.280 -3.675 1.00 0.00 C ATOM 295 CD2 LEU A 33 -11.090 -11.036 -3.179 1.00 0.00 C ATOM 0 H LEU A 33 -9.352 -9.455 -3.232 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.345 -10.548 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.460 -12.716 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.596 -11.571 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.221 -11.403 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.756 -13.333 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.252 -13.867 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.738 -13.680 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.691 -11.076 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.651 -11.474 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.853 -9.998 -2.946 1.00 0.00 H new ATOM 307 N VAL A 34 -5.846 -11.603 -3.016 1.00 0.00 N ATOM 308 CA VAL A 34 -4.847 -11.974 -4.062 1.00 0.00 C ATOM 309 C VAL A 34 -4.278 -13.379 -3.840 1.00 0.00 C ATOM 310 O VAL A 34 -4.452 -13.977 -2.795 1.00 0.00 O ATOM 311 CB VAL A 34 -3.696 -10.954 -4.033 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.616 -10.271 -5.400 1.00 0.00 C ATOM 313 CG2 VAL A 34 -3.969 -9.886 -2.965 1.00 0.00 C ATOM 0 H VAL A 34 -5.598 -11.862 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.351 -11.968 -5.028 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.762 -11.466 -3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.804 -9.544 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.430 -11.019 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.557 -9.763 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.149 -9.168 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.900 -9.369 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.051 -10.362 -1.988 1.00 0.00 H new ATOM 323 N HIS A 35 -3.567 -13.855 -4.829 1.00 0.00 N ATOM 324 CA HIS A 35 -2.964 -15.215 -4.728 1.00 0.00 C ATOM 325 C HIS A 35 -1.442 -15.131 -4.571 1.00 0.00 C ATOM 326 O HIS A 35 -0.836 -14.115 -4.851 1.00 0.00 O ATOM 327 CB HIS A 35 -3.296 -15.982 -6.010 1.00 0.00 C ATOM 328 CG HIS A 35 -4.757 -16.435 -5.969 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.371 -17.044 -6.931 1.00 0.00 N ATOM 330 CD2 HIS A 35 -5.713 -16.322 -4.973 1.00 0.00 C ATOM 331 CE1 HIS A 35 -6.593 -17.293 -6.581 1.00 0.00 C ATOM 332 NE2 HIS A 35 -6.849 -16.861 -5.370 1.00 0.00 N ATOM 0 H HIS A 35 -3.379 -13.360 -5.701 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.369 -15.723 -3.853 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.125 -15.348 -6.880 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.639 -16.846 -6.110 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.551 -15.859 -4.011 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.313 -17.795 -7.210 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -7.726 -16.927 -4.853 1.00 0.00 H new ATOM 340 N PRO A 36 -0.869 -16.219 -4.126 1.00 0.00 N ATOM 341 CA PRO A 36 0.603 -16.377 -4.068 1.00 0.00 C ATOM 342 C PRO A 36 1.240 -16.181 -5.446 1.00 0.00 C ATOM 343 O PRO A 36 1.203 -17.058 -6.287 1.00 0.00 O ATOM 344 CB PRO A 36 0.831 -17.803 -3.548 1.00 0.00 C ATOM 345 CG PRO A 36 -0.557 -18.367 -3.123 1.00 0.00 C ATOM 346 CD PRO A 36 -1.633 -17.386 -3.625 1.00 0.00 C ATOM 0 HA PRO A 36 1.064 -15.630 -3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.279 -18.427 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.519 -17.799 -2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.714 -19.358 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.612 -18.473 -2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.239 -17.832 -4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.314 -17.100 -2.823 1.00 0.00 H new ATOM 354 N GLY A 37 1.804 -15.021 -5.642 1.00 0.00 N ATOM 355 CA GLY A 37 2.458 -14.725 -6.951 1.00 0.00 C ATOM 356 C GLY A 37 1.548 -13.904 -7.872 1.00 0.00 C ATOM 357 O GLY A 37 1.366 -14.245 -9.024 1.00 0.00 O ATOM 0 H GLY A 37 1.841 -14.267 -4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.386 -14.180 -6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.724 -15.660 -7.443 1.00 0.00 H new ATOM 361 N ASP A 38 0.996 -12.841 -7.350 1.00 0.00 N ATOM 362 CA ASP A 38 0.100 -11.994 -8.193 1.00 0.00 C ATOM 363 C ASP A 38 0.447 -10.499 -8.110 1.00 0.00 C ATOM 364 O ASP A 38 1.347 -10.083 -7.403 1.00 0.00 O ATOM 365 CB ASP A 38 -1.343 -12.213 -7.723 1.00 0.00 C ATOM 366 CG ASP A 38 -2.306 -11.648 -8.772 1.00 0.00 C ATOM 367 OD1 ASP A 38 -2.342 -12.234 -9.841 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.943 -10.661 -8.446 1.00 0.00 O ATOM 0 H ASP A 38 1.124 -12.525 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 38 0.230 -12.290 -9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.532 -13.276 -7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.504 -11.723 -6.763 1.00 0.00 H new ATOM 373 N LEU A 39 -0.304 -9.731 -8.854 1.00 0.00 N ATOM 374 CA LEU A 39 -0.094 -8.257 -8.881 1.00 0.00 C ATOM 375 C LEU A 39 -1.205 -7.552 -8.102 1.00 0.00 C ATOM 376 O LEU A 39 -2.377 -7.715 -8.380 1.00 0.00 O ATOM 377 CB LEU A 39 -0.122 -7.783 -10.340 1.00 0.00 C ATOM 378 CG LEU A 39 0.703 -8.745 -11.206 1.00 0.00 C ATOM 379 CD1 LEU A 39 0.640 -8.272 -12.661 1.00 0.00 C ATOM 380 CD2 LEU A 39 2.162 -8.716 -10.743 1.00 0.00 C ATOM 0 H LEU A 39 -1.061 -10.067 -9.449 1.00 0.00 H new ATOM 0 HA LEU A 39 0.866 -8.019 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.150 -7.742 -10.701 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.282 -6.773 -10.413 1.00 0.00 H new ATOM 0 HG LEU A 39 0.306 -9.756 -11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.222 -8.947 -13.288 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.397 -8.268 -12.998 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.050 -7.264 -12.734 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.752 -9.398 -11.356 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.556 -7.705 -10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.219 -9.025 -9.699 1.00 0.00 H new ATOM 392 N LEU A 40 -0.787 -6.784 -7.136 1.00 0.00 N ATOM 393 CA LEU A 40 -1.762 -6.028 -6.291 1.00 0.00 C ATOM 394 C LEU A 40 -1.357 -4.549 -6.214 1.00 0.00 C ATOM 395 O LEU A 40 -0.208 -4.235 -5.985 1.00 0.00 O ATOM 396 CB LEU A 40 -1.763 -6.665 -4.888 1.00 0.00 C ATOM 397 CG LEU A 40 -1.972 -5.587 -3.811 1.00 0.00 C ATOM 398 CD1 LEU A 40 -3.396 -5.035 -3.912 1.00 0.00 C ATOM 399 CD2 LEU A 40 -1.795 -6.226 -2.431 1.00 0.00 C ATOM 0 H LEU A 40 0.193 -6.644 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.762 -6.076 -6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.553 -7.413 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.819 -7.182 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.251 -4.782 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.545 -4.271 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.547 -4.597 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.111 -5.843 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.941 -5.471 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.528 -7.023 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.790 -6.640 -2.348 1.00 0.00 H new ATOM 411 N GLN A 41 -2.300 -3.666 -6.405 1.00 0.00 N ATOM 412 CA GLN A 41 -1.948 -2.217 -6.343 1.00 0.00 C ATOM 413 C GLN A 41 -2.878 -1.414 -5.426 1.00 0.00 C ATOM 414 O GLN A 41 -4.073 -1.632 -5.380 1.00 0.00 O ATOM 415 CB GLN A 41 -2.015 -1.621 -7.757 1.00 0.00 C ATOM 416 CG GLN A 41 -1.222 -2.508 -8.727 1.00 0.00 C ATOM 417 CD GLN A 41 -2.032 -3.758 -9.097 1.00 0.00 C ATOM 418 OE1 GLN A 41 -3.277 -3.861 -8.714 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -1.537 -4.656 -9.748 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.279 -3.878 -6.597 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.942 -2.150 -5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.053 -1.546 -8.082 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.607 -0.610 -7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.979 -1.945 -9.628 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.277 -2.802 -8.270 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.566 -4.589 -10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.092 -5.477 -9.989 1.00 0.00 H new ATOM 428 N LEU A 42 -2.274 -0.496 -4.719 1.00 0.00 N ATOM 429 CA LEU A 42 -3.026 0.397 -3.790 1.00 0.00 C ATOM 430 C LEU A 42 -2.679 1.829 -4.194 1.00 0.00 C ATOM 431 O LEU A 42 -1.557 2.250 -4.005 1.00 0.00 O ATOM 432 CB LEU A 42 -2.565 0.154 -2.339 1.00 0.00 C ATOM 433 CG LEU A 42 -1.241 -0.628 -2.323 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.543 -0.393 -0.979 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.544 -2.124 -2.448 1.00 0.00 C ATOM 0 H LEU A 42 -1.269 -0.324 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.098 0.208 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.438 1.107 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.330 -0.401 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.608 -0.298 -3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.398 -0.943 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.344 0.671 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.186 -0.740 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.610 -2.686 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.167 -2.440 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.070 -2.312 -3.384 1.00 0.00 H new ATOM 447 N ARG A 43 -3.625 2.527 -4.762 1.00 0.00 N ATOM 448 CA ARG A 43 -3.339 3.924 -5.209 1.00 0.00 C ATOM 449 C ARG A 43 -3.971 4.990 -4.325 1.00 0.00 C ATOM 450 O ARG A 43 -5.175 5.135 -4.241 1.00 0.00 O ATOM 451 CB ARG A 43 -3.856 4.074 -6.644 1.00 0.00 C ATOM 452 CG ARG A 43 -3.798 5.548 -7.057 1.00 0.00 C ATOM 453 CD ARG A 43 -3.632 5.612 -8.575 1.00 0.00 C ATOM 454 NE ARG A 43 -3.598 7.042 -8.993 1.00 0.00 N ATOM 455 CZ ARG A 43 -2.454 7.616 -9.258 1.00 0.00 C ATOM 456 NH1 ARG A 43 -1.351 6.920 -9.185 1.00 0.00 N ATOM 457 NH2 ARG A 43 -2.439 8.882 -9.576 1.00 0.00 N ATOM 0 H ARG A 43 -4.574 2.197 -4.935 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.262 4.080 -5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.254 3.471 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.880 3.706 -6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.708 6.064 -6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.966 6.049 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.713 5.109 -8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.455 5.094 -9.067 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.466 7.572 -9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.386 5.935 -8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.455 7.362 -9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.312 9.408 -9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.555 9.345 -9.786 1.00 0.00 H new ATOM 471 N CYS A 44 -3.089 5.755 -3.741 1.00 0.00 N ATOM 472 CA CYS A 44 -3.523 6.855 -2.846 1.00 0.00 C ATOM 473 C CYS A 44 -3.670 8.129 -3.665 1.00 0.00 C ATOM 474 O CYS A 44 -3.563 8.112 -4.875 1.00 0.00 O ATOM 475 CB CYS A 44 -2.451 7.083 -1.792 1.00 0.00 C ATOM 476 SG CYS A 44 -2.980 7.923 -0.281 1.00 0.00 S ATOM 0 H CYS A 44 -2.079 5.661 -3.849 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.471 6.597 -2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.031 6.116 -1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.646 7.664 -2.243 1.00 0.00 H new ATOM 481 N ARG A 45 -3.877 9.215 -2.978 1.00 0.00 N ATOM 482 CA ARG A 45 -4.045 10.504 -3.704 1.00 0.00 C ATOM 483 C ARG A 45 -2.872 11.456 -3.482 1.00 0.00 C ATOM 484 O ARG A 45 -2.072 11.283 -2.584 1.00 0.00 O ATOM 485 CB ARG A 45 -5.341 11.177 -3.224 1.00 0.00 C ATOM 486 CG ARG A 45 -5.086 11.946 -1.917 1.00 0.00 C ATOM 487 CD ARG A 45 -5.546 11.093 -0.734 1.00 0.00 C ATOM 488 NE ARG A 45 -5.567 11.968 0.473 1.00 0.00 N ATOM 489 CZ ARG A 45 -6.617 12.715 0.676 1.00 0.00 C ATOM 490 NH1 ARG A 45 -7.495 12.357 1.572 1.00 0.00 N ATOM 491 NH2 ARG A 45 -6.771 13.789 -0.047 1.00 0.00 N ATOM 0 H ARG A 45 -3.937 9.268 -1.961 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.088 10.283 -4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.711 11.859 -3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.114 10.425 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.026 12.182 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.624 12.894 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.536 10.678 -0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.871 10.250 -0.584 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.781 11.982 1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.357 11.499 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.319 12.935 1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.078 14.031 -0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.585 14.387 0.095 1.00 0.00 H new ATOM 505 N LEU A 46 -2.817 12.446 -4.328 1.00 0.00 N ATOM 506 CA LEU A 46 -1.746 13.475 -4.236 1.00 0.00 C ATOM 507 C LEU A 46 -2.506 14.793 -4.262 1.00 0.00 C ATOM 508 O LEU A 46 -2.722 15.348 -5.319 1.00 0.00 O ATOM 509 CB LEU A 46 -0.844 13.359 -5.468 1.00 0.00 C ATOM 510 CG LEU A 46 -0.473 11.887 -5.670 1.00 0.00 C ATOM 511 CD1 LEU A 46 0.233 11.742 -7.022 1.00 0.00 C ATOM 512 CD2 LEU A 46 0.491 11.468 -4.557 1.00 0.00 C ATOM 0 H LEU A 46 -3.479 12.587 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.116 13.376 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.357 13.743 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.055 13.960 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.366 11.263 -5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.504 10.698 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.436 12.069 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.134 12.356 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.764 10.421 -4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.388 12.086 -4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.008 11.599 -3.589 1.00 0.00 H new ATOM 524 N ARG A 47 -2.863 15.277 -3.104 1.00 0.00 N ATOM 525 CA ARG A 47 -3.677 16.526 -3.047 1.00 0.00 C ATOM 526 C ARG A 47 -2.844 17.790 -3.240 1.00 0.00 C ATOM 527 O ARG A 47 -1.759 17.749 -3.785 1.00 0.00 O ATOM 528 CB ARG A 47 -4.360 16.587 -1.679 1.00 0.00 C ATOM 529 CG ARG A 47 -5.784 17.121 -1.856 1.00 0.00 C ATOM 530 CD ARG A 47 -6.087 18.095 -0.716 1.00 0.00 C ATOM 531 NE ARG A 47 -7.343 17.649 -0.055 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.283 17.136 1.140 1.00 0.00 C ATOM 533 NH1 ARG A 47 -6.606 17.752 2.074 1.00 0.00 N ATOM 534 NH2 ARG A 47 -7.896 16.007 1.353 1.00 0.00 N ATOM 0 H ARG A 47 -2.629 14.866 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.399 16.491 -3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.383 15.596 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.797 17.233 -1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.882 17.623 -2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.499 16.299 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.265 18.113 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.197 19.109 -1.100 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.240 17.744 -0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.129 18.629 1.864 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.555 17.356 3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.404 15.551 0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.868 15.578 2.278 1.00 0.00 H new ATOM 548 N ASP A 48 -3.425 18.891 -2.846 1.00 0.00 N ATOM 549 CA ASP A 48 -2.723 20.197 -2.969 1.00 0.00 C ATOM 550 C ASP A 48 -2.086 20.523 -1.618 1.00 0.00 C ATOM 551 O ASP A 48 -1.686 21.643 -1.361 1.00 0.00 O ATOM 552 CB ASP A 48 -3.759 21.269 -3.328 1.00 0.00 C ATOM 553 CG ASP A 48 -3.041 22.521 -3.838 1.00 0.00 C ATOM 554 OD1 ASP A 48 -2.504 22.426 -4.929 1.00 0.00 O ATOM 555 OD2 ASP A 48 -3.074 23.500 -3.108 1.00 0.00 O ATOM 0 H ASP A 48 -4.360 18.940 -2.442 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.953 20.161 -3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.440 20.891 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.363 21.514 -2.454 1.00 0.00 H new ATOM 560 N ASP A 49 -2.004 19.518 -0.787 1.00 0.00 N ATOM 561 CA ASP A 49 -1.413 19.712 0.564 1.00 0.00 C ATOM 562 C ASP A 49 -0.399 18.602 0.837 1.00 0.00 C ATOM 563 O ASP A 49 0.749 18.866 1.134 1.00 0.00 O ATOM 564 CB ASP A 49 -2.527 19.630 1.614 1.00 0.00 C ATOM 565 CG ASP A 49 -3.703 20.531 1.217 1.00 0.00 C ATOM 566 OD1 ASP A 49 -3.433 21.628 0.756 1.00 0.00 O ATOM 567 OD2 ASP A 49 -4.806 20.051 1.415 1.00 0.00 O ATOM 0 H ASP A 49 -2.322 18.570 -0.988 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.922 20.684 0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.867 18.599 1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.141 19.933 2.587 1.00 0.00 H new ATOM 572 N VAL A 50 -0.852 17.381 0.722 1.00 0.00 N ATOM 573 CA VAL A 50 0.050 16.228 0.976 1.00 0.00 C ATOM 574 C VAL A 50 1.140 16.116 -0.086 1.00 0.00 C ATOM 575 O VAL A 50 0.943 16.397 -1.252 1.00 0.00 O ATOM 576 CB VAL A 50 -0.791 14.954 0.991 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.833 15.085 2.109 1.00 0.00 C ATOM 578 CG2 VAL A 50 -1.517 14.832 -0.350 1.00 0.00 C ATOM 0 H VAL A 50 -1.808 17.136 0.463 1.00 0.00 H new ATOM 0 HA VAL A 50 0.546 16.376 1.935 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.163 14.079 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.448 14.186 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.326 15.212 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.466 15.951 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.123 13.926 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.161 15.699 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.786 14.784 -1.157 1.00 0.00 H new ATOM 588 N GLN A 51 2.273 15.699 0.394 1.00 0.00 N ATOM 589 CA GLN A 51 3.471 15.526 -0.475 1.00 0.00 C ATOM 590 C GLN A 51 4.179 14.220 -0.129 1.00 0.00 C ATOM 591 O GLN A 51 4.918 13.684 -0.930 1.00 0.00 O ATOM 592 CB GLN A 51 4.437 16.680 -0.218 1.00 0.00 C ATOM 593 CG GLN A 51 3.663 17.990 -0.306 1.00 0.00 C ATOM 594 CD GLN A 51 4.293 19.001 0.652 1.00 0.00 C ATOM 595 OE1 GLN A 51 3.517 19.566 1.533 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 5.475 19.280 0.609 1.00 0.00 N flip ATOM 0 H GLN A 51 2.425 15.465 1.375 1.00 0.00 H new ATOM 0 HA GLN A 51 3.158 15.509 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.896 16.577 0.765 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.245 16.668 -0.950 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.685 18.373 -1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.616 17.828 -0.048 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.079 18.835 -0.082 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.863 19.959 1.264 1.00 0.00 H new ATOM 605 N SER A 52 3.938 13.734 1.060 1.00 0.00 N ATOM 606 CA SER A 52 4.606 12.474 1.465 1.00 0.00 C ATOM 607 C SER A 52 3.515 11.440 1.657 1.00 0.00 C ATOM 608 O SER A 52 2.559 11.680 2.366 1.00 0.00 O ATOM 609 CB SER A 52 5.349 12.710 2.779 1.00 0.00 C ATOM 610 OG SER A 52 6.285 13.727 2.454 1.00 0.00 O ATOM 0 H SER A 52 3.317 14.150 1.754 1.00 0.00 H new ATOM 0 HA SER A 52 5.323 12.136 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.671 13.027 3.572 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.845 11.804 3.127 1.00 0.00 H new ATOM 0 HG SER A 52 6.815 13.950 3.248 1.00 0.00 H new ATOM 616 N ILE A 53 3.654 10.345 0.969 1.00 0.00 N ATOM 617 CA ILE A 53 2.640 9.275 1.090 1.00 0.00 C ATOM 618 C ILE A 53 3.288 8.070 1.757 1.00 0.00 C ATOM 619 O ILE A 53 4.171 7.434 1.217 1.00 0.00 O ATOM 620 CB ILE A 53 2.170 8.898 -0.303 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.623 10.140 -1.030 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.066 7.838 -0.202 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.654 10.889 -0.122 1.00 0.00 C ATOM 0 H ILE A 53 4.425 10.148 0.331 1.00 0.00 H new ATOM 0 HA ILE A 53 1.791 9.611 1.685 1.00 0.00 H new ATOM 0 HB ILE A 53 3.013 8.497 -0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.445 10.795 -1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.117 9.841 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.729 7.568 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.456 6.953 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.228 8.239 0.367 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.271 11.766 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.176 10.234 0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.173 11.203 0.784 1.00 0.00 H new ATOM 635 N ASN A 54 2.816 7.806 2.938 1.00 0.00 N ATOM 636 CA ASN A 54 3.346 6.654 3.715 1.00 0.00 C ATOM 637 C ASN A 54 2.374 5.498 3.542 1.00 0.00 C ATOM 638 O ASN A 54 1.180 5.706 3.590 1.00 0.00 O ATOM 639 CB ASN A 54 3.376 7.014 5.197 1.00 0.00 C ATOM 640 CG ASN A 54 3.151 8.510 5.377 1.00 0.00 C ATOM 641 OD1 ASN A 54 2.248 8.882 6.239 1.00 0.00 O flip ATOM 642 ND2 ASN A 54 3.769 9.341 4.743 1.00 0.00 N flip ATOM 0 H ASN A 54 2.082 8.340 3.403 1.00 0.00 H new ATOM 0 HA ASN A 54 4.348 6.397 3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.607 6.456 5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.335 6.728 5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.475 9.046 4.069 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.582 10.334 4.885 1.00 0.00 H new ATOM 649 N TRP A 55 2.872 4.309 3.362 1.00 0.00 N ATOM 650 CA TRP A 55 1.920 3.182 3.210 1.00 0.00 C ATOM 651 C TRP A 55 1.959 2.381 4.505 1.00 0.00 C ATOM 652 O TRP A 55 2.897 1.655 4.761 1.00 0.00 O ATOM 653 CB TRP A 55 2.356 2.339 2.019 1.00 0.00 C ATOM 654 CG TRP A 55 2.046 3.142 0.753 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.936 3.901 0.060 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.841 3.221 0.157 1.00 0.00 C ATOM 657 NE1 TRP A 55 2.201 4.392 -0.926 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.922 4.043 -0.947 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.356 2.612 0.481 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.196 4.263 -1.726 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.472 2.826 -0.302 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.393 3.654 -1.405 1.00 0.00 C ATOM 0 H TRP A 55 3.863 4.074 3.315 1.00 0.00 H new ATOM 0 HA TRP A 55 0.901 3.523 3.028 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.420 2.112 2.079 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.827 1.386 2.009 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.984 4.063 0.264 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.599 5.008 -1.634 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.418 1.969 1.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.135 4.912 -2.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.407 2.346 -0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.267 3.825 -2.016 1.00 0.00 H new ATOM 673 N LEU A 56 0.900 2.478 5.259 1.00 0.00 N ATOM 674 CA LEU A 56 0.856 1.766 6.557 1.00 0.00 C ATOM 675 C LEU A 56 0.533 0.318 6.218 1.00 0.00 C ATOM 676 O LEU A 56 -0.608 0.005 5.944 1.00 0.00 O ATOM 677 CB LEU A 56 -0.299 2.311 7.411 1.00 0.00 C ATOM 678 CG LEU A 56 -0.065 3.772 7.804 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.426 4.388 8.148 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.799 3.817 9.064 1.00 0.00 C ATOM 0 H LEU A 56 0.067 3.019 5.029 1.00 0.00 H new ATOM 0 HA LEU A 56 1.793 1.882 7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.234 2.227 6.857 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.406 1.704 8.310 1.00 0.00 H new ATOM 0 HG LEU A 56 0.423 4.309 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.292 5.432 8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.081 4.331 7.279 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.874 3.841 8.977 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.970 4.855 9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.288 3.296 9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.755 3.332 8.867 1.00 0.00 H new ATOM 692 N ARG A 57 1.527 -0.524 6.232 1.00 0.00 N ATOM 693 CA ARG A 57 1.246 -1.945 5.890 1.00 0.00 C ATOM 694 C ARG A 57 0.642 -2.614 7.113 1.00 0.00 C ATOM 695 O ARG A 57 0.991 -2.281 8.225 1.00 0.00 O ATOM 696 CB ARG A 57 2.551 -2.642 5.521 1.00 0.00 C ATOM 697 CG ARG A 57 2.265 -4.131 5.303 1.00 0.00 C ATOM 698 CD ARG A 57 2.705 -4.916 6.544 1.00 0.00 C ATOM 699 NE ARG A 57 2.272 -6.332 6.368 1.00 0.00 N ATOM 700 CZ ARG A 57 2.144 -7.111 7.408 1.00 0.00 C ATOM 701 NH1 ARG A 57 2.654 -6.739 8.551 1.00 0.00 N ATOM 702 NH2 ARG A 57 1.508 -8.239 7.262 1.00 0.00 N ATOM 0 H ARG A 57 2.496 -0.300 6.459 1.00 0.00 H new ATOM 0 HA ARG A 57 0.558 -2.006 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.973 -2.202 4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.288 -2.510 6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.202 -4.286 5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.798 -4.491 4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.787 -4.860 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.260 -4.490 7.443 1.00 0.00 H new ATOM 0 HE ARG A 57 2.076 -6.692 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.146 -5.848 8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.560 -7.339 9.371 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.125 -8.494 6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.393 -8.867 8.058 1.00 0.00 H new ATOM 716 N ASP A 58 -0.307 -3.474 6.863 1.00 0.00 N ATOM 717 CA ASP A 58 -0.985 -4.201 7.975 1.00 0.00 C ATOM 718 C ASP A 58 -1.710 -3.198 8.869 1.00 0.00 C ATOM 719 O ASP A 58 -2.922 -3.112 8.831 1.00 0.00 O ATOM 720 CB ASP A 58 0.058 -4.971 8.790 1.00 0.00 C ATOM 721 CG ASP A 58 -0.649 -5.698 9.937 1.00 0.00 C ATOM 722 OD1 ASP A 58 -1.422 -6.586 9.617 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.377 -5.319 11.064 1.00 0.00 O ATOM 0 H ASP A 58 -0.645 -3.706 5.929 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.710 -4.905 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.580 -5.687 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.810 -4.287 9.184 1.00 0.00 H new ATOM 728 N GLY A 59 -0.940 -2.492 9.656 1.00 0.00 N ATOM 729 CA GLY A 59 -1.507 -1.457 10.566 1.00 0.00 C ATOM 730 C GLY A 59 -0.398 -0.520 11.074 1.00 0.00 C ATOM 731 O GLY A 59 -0.564 0.152 12.073 1.00 0.00 O ATOM 0 H GLY A 59 0.074 -2.592 9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.267 -0.879 10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.000 -1.938 11.411 1.00 0.00 H new ATOM 735 N VAL A 60 0.710 -0.498 10.378 1.00 0.00 N ATOM 736 CA VAL A 60 1.843 0.377 10.796 1.00 0.00 C ATOM 737 C VAL A 60 2.538 0.945 9.554 1.00 0.00 C ATOM 738 O VAL A 60 2.433 0.389 8.480 1.00 0.00 O ATOM 739 CB VAL A 60 2.833 -0.465 11.612 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.446 -1.541 10.707 1.00 0.00 C ATOM 741 CG2 VAL A 60 3.955 0.438 12.139 1.00 0.00 C ATOM 0 H VAL A 60 0.878 -1.050 9.537 1.00 0.00 H new ATOM 0 HA VAL A 60 1.476 1.206 11.402 1.00 0.00 H new ATOM 0 HB VAL A 60 2.311 -0.933 12.447 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.150 -2.142 11.282 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.655 -2.182 10.317 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.969 -1.064 9.878 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.660 -0.158 12.719 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.475 0.900 11.300 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.529 1.215 12.773 1.00 0.00 H new ATOM 751 N GLN A 61 3.252 2.023 9.734 1.00 0.00 N ATOM 752 CA GLN A 61 3.948 2.646 8.570 1.00 0.00 C ATOM 753 C GLN A 61 4.809 1.661 7.803 1.00 0.00 C ATOM 754 O GLN A 61 5.529 0.860 8.365 1.00 0.00 O ATOM 755 CB GLN A 61 4.829 3.783 9.059 1.00 0.00 C ATOM 756 CG GLN A 61 5.937 3.230 9.961 1.00 0.00 C ATOM 757 CD GLN A 61 7.196 4.050 9.695 1.00 0.00 C ATOM 758 OE1 GLN A 61 7.864 4.508 10.601 1.00 0.00 O ATOM 759 NE2 GLN A 61 7.545 4.259 8.453 1.00 0.00 N ATOM 0 H GLN A 61 3.383 2.496 10.628 1.00 0.00 H new ATOM 0 HA GLN A 61 3.174 3.008 7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.267 4.307 8.210 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.230 4.510 9.608 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.648 3.300 11.010 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.114 2.176 9.749 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.983 3.874 7.694 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.379 4.807 8.243 1.00 0.00 H new ATOM 768 N LEU A 62 4.674 1.729 6.511 1.00 0.00 N ATOM 769 CA LEU A 62 5.476 0.818 5.667 1.00 0.00 C ATOM 770 C LEU A 62 5.574 1.286 4.224 1.00 0.00 C ATOM 771 O LEU A 62 5.119 2.343 3.823 1.00 0.00 O ATOM 772 CB LEU A 62 4.827 -0.562 5.653 1.00 0.00 C ATOM 773 CG LEU A 62 5.938 -1.622 5.785 1.00 0.00 C ATOM 774 CD1 LEU A 62 6.053 -2.043 7.254 1.00 0.00 C ATOM 775 CD2 LEU A 62 5.588 -2.856 4.946 1.00 0.00 C ATOM 0 H LEU A 62 4.053 2.366 6.013 1.00 0.00 H new ATOM 0 HA LEU A 62 6.478 0.797 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.115 -0.655 6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.269 -0.710 4.728 1.00 0.00 H new ATOM 0 HG LEU A 62 6.880 -1.200 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.837 -2.793 7.357 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.300 -1.174 7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.104 -2.462 7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.379 -3.600 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.646 -3.279 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.490 -2.568 3.899 1.00 0.00 H new ATOM 787 N VAL A 63 6.189 0.387 3.514 1.00 0.00 N ATOM 788 CA VAL A 63 6.417 0.523 2.051 1.00 0.00 C ATOM 789 C VAL A 63 6.697 -0.868 1.463 1.00 0.00 C ATOM 790 O VAL A 63 6.247 -1.858 2.006 1.00 0.00 O ATOM 791 CB VAL A 63 7.591 1.472 1.804 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.433 2.754 2.627 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.907 0.790 2.202 1.00 0.00 C ATOM 0 H VAL A 63 6.560 -0.477 3.908 1.00 0.00 H new ATOM 0 HA VAL A 63 5.535 0.940 1.564 1.00 0.00 H new ATOM 0 HB VAL A 63 7.606 1.724 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.278 3.415 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.508 3.257 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.400 2.504 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.739 1.472 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.875 0.526 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.044 -0.113 1.607 1.00 0.00 H new ATOM 843 N ARG A 67 9.180 -7.798 -3.372 1.00 0.00 N ATOM 844 CA ARG A 67 9.089 -7.462 -4.823 1.00 0.00 C ATOM 845 C ARG A 67 7.939 -6.482 -5.066 1.00 0.00 C ATOM 846 O ARG A 67 7.022 -6.736 -5.824 1.00 0.00 O ATOM 847 CB ARG A 67 8.854 -8.752 -5.614 1.00 0.00 C ATOM 848 CG ARG A 67 10.211 -9.418 -5.852 1.00 0.00 C ATOM 849 CD ARG A 67 9.996 -10.897 -6.178 1.00 0.00 C ATOM 850 NE ARG A 67 10.987 -11.675 -5.386 1.00 0.00 N ATOM 851 CZ ARG A 67 11.663 -12.634 -5.957 1.00 0.00 C ATOM 852 NH1 ARG A 67 12.925 -12.442 -6.230 1.00 0.00 N ATOM 853 NH2 ARG A 67 11.055 -13.753 -6.237 1.00 0.00 N ATOM 0 HA ARG A 67 10.017 -6.992 -5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.193 -9.421 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.366 -8.533 -6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.733 -8.925 -6.672 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.840 -9.316 -4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.980 -11.202 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.129 -11.078 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 67 11.137 -11.459 -4.400 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.368 -11.553 -5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.468 -13.181 -6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.067 -13.867 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.567 -14.514 -6.683 1.00 0.00 H new ATOM 867 N THR A 68 7.985 -5.367 -4.391 1.00 0.00 N ATOM 868 CA THR A 68 6.901 -4.389 -4.600 1.00 0.00 C ATOM 869 C THR A 68 7.560 -3.029 -4.823 1.00 0.00 C ATOM 870 O THR A 68 8.570 -2.713 -4.225 1.00 0.00 O ATOM 871 CB THR A 68 6.017 -4.440 -3.355 1.00 0.00 C ATOM 872 OG1 THR A 68 6.890 -4.088 -2.296 1.00 0.00 O ATOM 873 CG2 THR A 68 5.646 -5.892 -3.035 1.00 0.00 C ATOM 0 H THR A 68 8.709 -5.102 -3.723 1.00 0.00 H new ATOM 0 HA THR A 68 6.273 -4.596 -5.466 1.00 0.00 H new ATOM 0 HB THR A 68 5.130 -3.820 -3.487 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.397 -4.095 -1.449 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.016 -5.919 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.105 -6.323 -3.877 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.554 -6.468 -2.854 1.00 0.00 H new ATOM 881 N ARG A 69 6.962 -2.259 -5.685 1.00 0.00 N ATOM 882 CA ARG A 69 7.517 -0.924 -6.011 1.00 0.00 C ATOM 883 C ARG A 69 6.628 0.097 -5.323 1.00 0.00 C ATOM 884 O ARG A 69 5.475 0.270 -5.662 1.00 0.00 O ATOM 885 CB ARG A 69 7.482 -0.720 -7.529 1.00 0.00 C ATOM 886 CG ARG A 69 8.590 0.268 -7.905 1.00 0.00 C ATOM 887 CD ARG A 69 8.474 0.609 -9.394 1.00 0.00 C ATOM 888 NE ARG A 69 9.638 1.464 -9.764 1.00 0.00 N ATOM 889 CZ ARG A 69 9.432 2.681 -10.190 1.00 0.00 C ATOM 890 NH1 ARG A 69 9.738 2.978 -11.423 1.00 0.00 N ATOM 891 NH2 ARG A 69 8.928 3.560 -9.367 1.00 0.00 N ATOM 0 H ARG A 69 6.104 -2.502 -6.181 1.00 0.00 H new ATOM 0 HA ARG A 69 8.550 -0.824 -5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.629 -1.670 -8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.510 -0.337 -7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.506 1.174 -7.304 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.568 -0.165 -7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.464 -0.301 -9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.539 1.132 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 69 10.588 1.101 -9.685 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.131 2.265 -12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.584 3.924 -11.773 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.702 3.291 -8.409 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.760 4.516 -9.682 1.00 0.00 H new ATOM 905 N ILE A 70 7.172 0.682 -4.300 1.00 0.00 N ATOM 906 CA ILE A 70 6.392 1.698 -3.553 1.00 0.00 C ATOM 907 C ILE A 70 6.633 3.085 -4.110 1.00 0.00 C ATOM 908 O ILE A 70 7.731 3.600 -4.026 1.00 0.00 O ATOM 909 CB ILE A 70 6.861 1.744 -2.119 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.400 1.575 -2.144 1.00 0.00 C ATOM 911 CG2 ILE A 70 6.214 0.605 -1.341 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.017 2.008 -0.826 1.00 0.00 C ATOM 0 H ILE A 70 8.114 0.504 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 70 5.341 1.422 -3.636 1.00 0.00 H new ATOM 0 HB ILE A 70 6.587 2.683 -1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.652 0.533 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.821 2.165 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.550 0.635 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.130 0.712 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.498 -0.348 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.098 1.879 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.784 3.057 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.612 1.399 -0.017 1.00 0.00 H new ATOM 924 N THR A 71 5.625 3.676 -4.680 1.00 0.00 N ATOM 925 CA THR A 71 5.858 5.049 -5.167 1.00 0.00 C ATOM 926 C THR A 71 5.120 5.985 -4.199 1.00 0.00 C ATOM 927 O THR A 71 4.063 5.657 -3.690 1.00 0.00 O ATOM 928 CB THR A 71 5.325 5.217 -6.585 1.00 0.00 C ATOM 929 OG1 THR A 71 3.959 5.511 -6.372 1.00 0.00 O ATOM 930 CG2 THR A 71 5.320 3.884 -7.344 1.00 0.00 C ATOM 0 H THR A 71 4.693 3.287 -4.824 1.00 0.00 H new ATOM 0 HA THR A 71 6.924 5.276 -5.200 1.00 0.00 H new ATOM 0 HB THR A 71 5.913 5.948 -7.141 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.469 4.680 -6.198 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.934 4.040 -8.351 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.336 3.494 -7.401 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.686 3.169 -6.820 1.00 0.00 H new ATOM 938 N GLY A 72 5.740 7.098 -3.925 1.00 0.00 N ATOM 939 CA GLY A 72 5.138 8.104 -3.005 1.00 0.00 C ATOM 940 C GLY A 72 3.697 8.482 -3.365 1.00 0.00 C ATOM 941 O GLY A 72 3.183 9.460 -2.863 1.00 0.00 O ATOM 0 H GLY A 72 6.651 7.357 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.158 7.712 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.753 9.004 -3.012 1.00 0.00 H new ATOM 945 N GLU A 73 3.084 7.751 -4.256 1.00 0.00 N ATOM 946 CA GLU A 73 1.671 8.061 -4.611 1.00 0.00 C ATOM 947 C GLU A 73 0.849 6.767 -4.634 1.00 0.00 C ATOM 948 O GLU A 73 -0.322 6.749 -4.308 1.00 0.00 O ATOM 949 CB GLU A 73 1.647 8.719 -5.996 1.00 0.00 C ATOM 950 CG GLU A 73 2.485 7.885 -6.972 1.00 0.00 C ATOM 951 CD GLU A 73 2.305 8.446 -8.386 1.00 0.00 C ATOM 952 OE1 GLU A 73 1.242 8.189 -8.926 1.00 0.00 O ATOM 953 OE2 GLU A 73 3.234 9.097 -8.837 1.00 0.00 O ATOM 0 H GLU A 73 3.497 6.959 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 73 1.240 8.737 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.621 8.797 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.042 9.733 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.536 7.914 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.174 6.841 -6.938 1.00 0.00 H new ATOM 960 N GLU A 74 1.483 5.693 -5.010 1.00 0.00 N ATOM 961 CA GLU A 74 0.744 4.406 -5.081 1.00 0.00 C ATOM 962 C GLU A 74 1.724 3.275 -4.819 1.00 0.00 C ATOM 963 O GLU A 74 2.895 3.392 -5.103 1.00 0.00 O ATOM 964 CB GLU A 74 0.154 4.291 -6.488 1.00 0.00 C ATOM 965 CG GLU A 74 -0.212 2.833 -6.798 1.00 0.00 C ATOM 966 CD GLU A 74 -0.790 2.760 -8.216 1.00 0.00 C ATOM 967 OE1 GLU A 74 -1.043 3.829 -8.746 1.00 0.00 O ATOM 968 OE2 GLU A 74 -0.949 1.643 -8.680 1.00 0.00 O ATOM 0 H GLU A 74 2.469 5.651 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.056 4.357 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.732 4.920 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.873 4.656 -7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.669 2.197 -6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.939 2.464 -6.075 1.00 0.00 H new ATOM 975 N VAL A 75 1.230 2.206 -4.279 1.00 0.00 N ATOM 976 CA VAL A 75 2.138 1.063 -4.009 1.00 0.00 C ATOM 977 C VAL A 75 1.752 -0.085 -4.915 1.00 0.00 C ATOM 978 O VAL A 75 0.597 -0.455 -4.972 1.00 0.00 O ATOM 979 CB VAL A 75 1.992 0.656 -2.551 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.548 -0.761 -2.350 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.811 1.633 -1.730 1.00 0.00 C ATOM 0 H VAL A 75 0.254 2.071 -4.015 1.00 0.00 H new ATOM 0 HA VAL A 75 3.175 1.339 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 75 0.944 0.667 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.441 -1.049 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.996 -1.461 -2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.602 -0.781 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.733 1.375 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.855 1.583 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.435 2.644 -1.886 1.00 0.00 H new ATOM 991 N GLU A 76 2.716 -0.573 -5.642 1.00 0.00 N ATOM 992 CA GLU A 76 2.410 -1.720 -6.546 1.00 0.00 C ATOM 993 C GLU A 76 3.235 -2.949 -6.158 1.00 0.00 C ATOM 994 O GLU A 76 4.440 -2.942 -6.295 1.00 0.00 O ATOM 995 CB GLU A 76 2.740 -1.307 -7.982 1.00 0.00 C ATOM 996 CG GLU A 76 1.887 -0.087 -8.345 1.00 0.00 C ATOM 997 CD GLU A 76 2.102 0.258 -9.821 1.00 0.00 C ATOM 998 OE1 GLU A 76 3.239 0.555 -10.147 1.00 0.00 O ATOM 999 OE2 GLU A 76 1.114 0.206 -10.535 1.00 0.00 O ATOM 0 H GLU A 76 3.680 -0.240 -5.653 1.00 0.00 H new ATOM 0 HA GLU A 76 1.355 -1.979 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.800 -1.069 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.537 -2.129 -8.669 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.834 -0.296 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.160 0.762 -7.718 1.00 0.00 H new ATOM 1006 N VAL A 77 2.578 -3.982 -5.702 1.00 0.00 N ATOM 1007 CA VAL A 77 3.317 -5.219 -5.307 1.00 0.00 C ATOM 1008 C VAL A 77 3.130 -6.171 -6.490 1.00 0.00 C ATOM 1009 O VAL A 77 2.009 -6.459 -6.855 1.00 0.00 O ATOM 1010 CB VAL A 77 2.692 -5.792 -3.995 1.00 0.00 C ATOM 1011 CG1 VAL A 77 2.593 -4.665 -2.957 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.282 -6.321 -4.254 1.00 0.00 C ATOM 0 H VAL A 77 1.566 -4.024 -5.586 1.00 0.00 H new ATOM 0 HA VAL A 77 4.374 -5.051 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 77 3.324 -6.604 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.158 -5.055 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.589 -4.273 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.962 -3.866 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.865 -6.715 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.651 -5.511 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.322 -7.115 -5.000 1.00 0.00 H new ATOM 1022 N ARG A 78 4.204 -6.652 -7.060 1.00 0.00 N ATOM 1023 CA ARG A 78 4.041 -7.533 -8.253 1.00 0.00 C ATOM 1024 C ARG A 78 4.373 -8.959 -7.852 1.00 0.00 C ATOM 1025 O ARG A 78 5.164 -9.630 -8.486 1.00 0.00 O ATOM 1026 CB ARG A 78 5.008 -7.076 -9.358 1.00 0.00 C ATOM 1027 CG ARG A 78 5.349 -5.591 -9.179 1.00 0.00 C ATOM 1028 CD ARG A 78 4.058 -4.793 -8.989 1.00 0.00 C ATOM 1029 NE ARG A 78 4.136 -3.567 -9.833 1.00 0.00 N ATOM 1030 CZ ARG A 78 3.289 -3.405 -10.813 1.00 0.00 C ATOM 1031 NH1 ARG A 78 2.011 -3.453 -10.558 1.00 0.00 N ATOM 1032 NH2 ARG A 78 3.751 -3.201 -12.016 1.00 0.00 N ATOM 0 H ARG A 78 5.164 -6.479 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 78 3.017 -7.478 -8.622 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.919 -7.673 -9.324 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.557 -7.238 -10.337 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.002 -5.458 -8.317 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.892 -5.224 -10.050 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.195 -5.395 -9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.929 -4.524 -7.941 1.00 0.00 H new ATOM 0 HE ARG A 78 4.846 -2.859 -9.646 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.687 -3.615 -9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.335 -3.328 -11.312 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.758 -3.170 -12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.105 -3.072 -12.795 1.00 0.00 H new ATOM 1046 N ASP A 79 3.746 -9.390 -6.797 1.00 0.00 N ATOM 1047 CA ASP A 79 4.040 -10.758 -6.316 1.00 0.00 C ATOM 1048 C ASP A 79 2.937 -11.265 -5.397 1.00 0.00 C ATOM 1049 O ASP A 79 2.669 -12.448 -5.361 1.00 0.00 O ATOM 1050 CB ASP A 79 5.374 -10.718 -5.557 1.00 0.00 C ATOM 1051 CG ASP A 79 5.916 -12.137 -5.345 1.00 0.00 C ATOM 1052 OD1 ASP A 79 5.273 -13.057 -5.824 1.00 0.00 O ATOM 1053 OD2 ASP A 79 6.957 -12.216 -4.713 1.00 0.00 O ATOM 0 H ASP A 79 3.057 -8.865 -6.258 1.00 0.00 H new ATOM 0 HA ASP A 79 4.100 -11.437 -7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.099 -10.125 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.236 -10.228 -4.593 1.00 0.00 H new ATOM 1058 N SER A 80 2.312 -10.363 -4.686 1.00 0.00 N ATOM 1059 CA SER A 80 1.253 -10.808 -3.736 1.00 0.00 C ATOM 1060 C SER A 80 1.871 -11.944 -2.922 1.00 0.00 C ATOM 1061 O SER A 80 1.841 -13.090 -3.324 1.00 0.00 O ATOM 1062 CB SER A 80 0.036 -11.302 -4.520 1.00 0.00 C ATOM 1063 OG SER A 80 -0.377 -10.154 -5.245 1.00 0.00 O ATOM 0 H SER A 80 2.484 -9.358 -4.720 1.00 0.00 H new ATOM 0 HA SER A 80 0.917 -10.000 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.294 -12.126 -5.185 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.750 -11.662 -3.856 1.00 0.00 H new ATOM 0 HG SER A 80 -0.755 -9.495 -4.626 1.00 0.00 H new ATOM 1069 N ILE A 81 2.435 -11.563 -1.811 1.00 0.00 N ATOM 1070 CA ILE A 81 3.120 -12.542 -0.924 1.00 0.00 C ATOM 1071 C ILE A 81 2.617 -12.279 0.489 1.00 0.00 C ATOM 1072 O ILE A 81 2.103 -11.210 0.739 1.00 0.00 O ATOM 1073 CB ILE A 81 4.631 -12.276 -1.010 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.888 -10.754 -1.114 1.00 0.00 C ATOM 1075 CG2 ILE A 81 5.174 -12.961 -2.268 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.376 -10.493 -0.862 1.00 0.00 C ATOM 0 H ILE A 81 2.450 -10.600 -1.475 1.00 0.00 H new ATOM 0 HA ILE A 81 2.922 -13.575 -1.208 1.00 0.00 H new ATOM 0 HB ILE A 81 5.126 -12.665 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.601 -10.388 -2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.281 -10.217 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.247 -12.783 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.988 -14.033 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.674 -12.555 -3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.575 -9.424 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.644 -10.848 0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.970 -11.022 -1.608 1.00 0.00 H new ATOM 1088 N PRO A 82 2.784 -13.220 1.380 1.00 0.00 N ATOM 1089 CA PRO A 82 2.247 -13.100 2.756 1.00 0.00 C ATOM 1090 C PRO A 82 2.299 -11.652 3.264 1.00 0.00 C ATOM 1091 O PRO A 82 1.466 -11.226 4.040 1.00 0.00 O ATOM 1092 CB PRO A 82 3.130 -14.039 3.584 1.00 0.00 C ATOM 1093 CG PRO A 82 3.802 -15.019 2.572 1.00 0.00 C ATOM 1094 CD PRO A 82 3.587 -14.444 1.153 1.00 0.00 C ATOM 0 HA PRO A 82 1.193 -13.370 2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.882 -13.477 4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.536 -14.585 4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.866 -15.121 2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.363 -16.014 2.653 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.536 -14.215 0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.063 -15.152 0.511 1.00 0.00 H new ATOM 1102 N ALA A 83 3.280 -10.925 2.803 1.00 0.00 N ATOM 1103 CA ALA A 83 3.415 -9.500 3.223 1.00 0.00 C ATOM 1104 C ALA A 83 2.088 -8.733 3.116 1.00 0.00 C ATOM 1105 O ALA A 83 1.769 -7.946 3.984 1.00 0.00 O ATOM 1106 CB ALA A 83 4.453 -8.828 2.323 1.00 0.00 C ATOM 0 H ALA A 83 3.994 -11.256 2.154 1.00 0.00 H new ATOM 0 HA ALA A 83 3.722 -9.481 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.566 -7.784 2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.410 -9.339 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.124 -8.881 1.285 1.00 0.00 H new ATOM 1112 N ASP A 84 1.348 -9.007 2.075 1.00 0.00 N ATOM 1113 CA ASP A 84 0.052 -8.312 1.843 1.00 0.00 C ATOM 1114 C ASP A 84 -1.099 -8.972 2.616 1.00 0.00 C ATOM 1115 O ASP A 84 -2.200 -9.099 2.119 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.226 -8.351 0.337 1.00 0.00 C ATOM 1117 CG ASP A 84 1.057 -7.959 -0.402 1.00 0.00 C ATOM 1118 OD1 ASP A 84 1.327 -6.769 -0.426 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.694 -8.879 -0.888 1.00 0.00 O ATOM 0 H ASP A 84 1.593 -9.696 1.364 1.00 0.00 H new ATOM 0 HA ASP A 84 0.119 -7.286 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.547 -9.348 0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.035 -7.666 0.083 1.00 0.00 H new ATOM 1124 N SER A 85 -0.777 -9.499 3.764 1.00 0.00 N ATOM 1125 CA SER A 85 -1.824 -10.108 4.633 1.00 0.00 C ATOM 1126 C SER A 85 -2.237 -9.097 5.716 1.00 0.00 C ATOM 1127 O SER A 85 -1.861 -9.244 6.863 1.00 0.00 O ATOM 1128 CB SER A 85 -1.245 -11.365 5.287 1.00 0.00 C ATOM 1129 OG SER A 85 -2.336 -11.894 6.026 1.00 0.00 O ATOM 0 H SER A 85 0.170 -9.535 4.140 1.00 0.00 H new ATOM 0 HA SER A 85 -2.700 -10.372 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.885 -12.074 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.401 -11.127 5.934 1.00 0.00 H new ATOM 0 HG SER A 85 -2.054 -12.713 6.484 1.00 0.00 H new ATOM 1135 N GLY A 86 -2.992 -8.093 5.355 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.397 -7.091 6.389 1.00 0.00 C ATOM 1137 C GLY A 86 -3.973 -5.821 5.753 1.00 0.00 C ATOM 1138 O GLY A 86 -4.425 -5.830 4.626 1.00 0.00 O ATOM 0 H GLY A 86 -3.340 -7.923 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.139 -7.534 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.534 -6.832 7.002 1.00 0.00 H new ATOM 1142 N LEU A 87 -3.953 -4.733 6.477 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.516 -3.498 5.871 1.00 0.00 C ATOM 1144 C LEU A 87 -3.395 -2.603 5.351 1.00 0.00 C ATOM 1145 O LEU A 87 -2.424 -2.348 6.034 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.320 -2.736 6.932 1.00 0.00 C ATOM 1147 CG LEU A 87 -6.469 -3.621 7.436 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.181 -2.893 8.579 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -7.472 -3.841 6.299 1.00 0.00 C ATOM 0 H LEU A 87 -3.586 -4.647 7.425 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.163 -3.775 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.672 -2.455 7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.716 -1.812 6.510 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.077 -4.579 7.777 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.001 -3.509 8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.474 -2.707 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.576 -1.944 8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.290 -4.469 6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.868 -2.880 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.973 -4.331 5.463 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.552 -2.164 4.133 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.542 -1.260 3.534 1.00 0.00 C ATOM 1163 C TYR A 88 -3.225 0.083 3.438 1.00 0.00 C ATOM 1164 O TYR A 88 -3.966 0.364 2.519 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.171 -1.747 2.150 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.163 -2.870 2.329 1.00 0.00 C ATOM 1167 CD1 TYR A 88 -1.592 -4.121 2.705 1.00 0.00 C ATOM 1168 CD2 TYR A 88 0.184 -2.634 2.165 1.00 0.00 C ATOM 1169 CE1 TYR A 88 -0.688 -5.137 2.910 1.00 0.00 C ATOM 1170 CE2 TYR A 88 1.093 -3.646 2.375 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.666 -4.904 2.749 1.00 0.00 C ATOM 1172 OH TYR A 88 1.586 -5.910 2.959 1.00 0.00 O ATOM 0 H TYR A 88 -4.340 -2.395 3.528 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.627 -1.216 4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.053 -2.102 1.617 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.745 -0.937 1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.647 -4.307 2.840 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.528 -1.653 1.871 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.036 -6.118 3.197 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.148 -3.454 2.246 1.00 0.00 H new ATOM 0 HH TYR A 88 1.288 -6.477 3.701 1.00 0.00 H new ATOM 1182 N ALA A 89 -2.992 0.877 4.435 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.645 2.209 4.426 1.00 0.00 C ATOM 1184 C ALA A 89 -2.627 3.202 3.884 1.00 0.00 C ATOM 1185 O ALA A 89 -1.467 3.165 4.231 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.037 2.583 5.853 1.00 0.00 C ATOM 0 H ALA A 89 -2.395 0.673 5.236 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.544 2.209 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.518 3.561 5.854 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.729 1.839 6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.145 2.617 6.478 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.095 4.108 3.085 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.180 5.099 2.478 1.00 0.00 C ATOM 1194 C CYS A 90 -2.390 6.403 3.221 1.00 0.00 C ATOM 1195 O CYS A 90 -3.488 6.926 3.227 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.575 5.277 1.027 1.00 0.00 C ATOM 1197 SG CYS A 90 -3.926 6.430 0.691 1.00 0.00 S ATOM 0 H CYS A 90 -4.076 4.205 2.825 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.138 4.784 2.537 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.697 5.610 0.473 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -2.852 4.302 0.627 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.331 6.867 3.822 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.418 8.135 4.590 1.00 0.00 C ATOM 1204 C VAL A 91 -0.761 9.238 3.778 1.00 0.00 C ATOM 1205 O VAL A 91 0.423 9.196 3.510 1.00 0.00 O ATOM 1206 CB VAL A 91 -0.652 7.998 5.898 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.222 8.986 6.919 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -0.788 6.578 6.430 1.00 0.00 C ATOM 0 H VAL A 91 -0.413 6.423 3.814 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.464 8.364 4.792 1.00 0.00 H new ATOM 0 HB VAL A 91 0.403 8.214 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.677 8.893 7.859 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.119 10.002 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.276 8.767 7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.238 6.486 7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.840 6.354 6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.383 5.876 5.701 1.00 0.00 H new ATOM 1218 N THR A 92 -1.556 10.209 3.441 1.00 0.00 N ATOM 1219 CA THR A 92 -1.046 11.356 2.649 1.00 0.00 C ATOM 1220 C THR A 92 -0.812 12.454 3.670 1.00 0.00 C ATOM 1221 O THR A 92 -1.735 12.852 4.351 1.00 0.00 O ATOM 1222 CB THR A 92 -2.112 11.780 1.633 1.00 0.00 C ATOM 1223 OG1 THR A 92 -3.229 12.159 2.426 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.627 10.574 0.849 1.00 0.00 C ATOM 0 H THR A 92 -2.546 10.258 3.682 1.00 0.00 H new ATOM 0 HA THR A 92 -0.139 11.123 2.092 1.00 0.00 H new ATOM 0 HB THR A 92 -1.707 12.538 0.962 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.976 12.151 3.373 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.383 10.900 0.134 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.800 10.107 0.315 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.067 9.853 1.538 1.00 0.00 H new ATOM 1232 N SER A 93 0.413 12.888 3.773 1.00 0.00 N ATOM 1233 CA SER A 93 0.722 13.925 4.786 1.00 0.00 C ATOM 1234 C SER A 93 1.364 15.162 4.175 1.00 0.00 C ATOM 1235 O SER A 93 2.069 15.095 3.184 1.00 0.00 O ATOM 1236 CB SER A 93 1.694 13.329 5.810 1.00 0.00 C ATOM 1237 OG SER A 93 1.093 12.102 6.200 1.00 0.00 O ATOM 0 H SER A 93 1.201 12.573 3.207 1.00 0.00 H new ATOM 0 HA SER A 93 -0.217 14.230 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.680 13.167 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.828 13.994 6.663 1.00 0.00 H new ATOM 0 HG SER A 93 0.378 12.279 6.846 1.00 0.00 H new ATOM 1243 N SER A 94 1.014 16.255 4.796 1.00 0.00 N ATOM 1244 CA SER A 94 1.533 17.592 4.416 1.00 0.00 C ATOM 1245 C SER A 94 1.888 18.299 5.722 1.00 0.00 C ATOM 1246 O SER A 94 1.269 18.062 6.742 1.00 0.00 O ATOM 1247 CB SER A 94 0.420 18.379 3.747 1.00 0.00 C ATOM 1248 OG SER A 94 -0.421 18.703 4.844 1.00 0.00 O ATOM 0 H SER A 94 0.364 16.271 5.582 1.00 0.00 H new ATOM 0 HA SER A 94 2.386 17.512 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.797 19.271 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.102 17.787 2.995 1.00 0.00 H new ATOM 0 HG SER A 94 -0.477 19.677 4.937 1.00 0.00 H new ATOM 1254 N PRO A 95 2.831 19.196 5.633 1.00 0.00 N ATOM 1255 CA PRO A 95 3.320 19.950 6.806 1.00 0.00 C ATOM 1256 C PRO A 95 2.174 20.626 7.568 1.00 0.00 C ATOM 1257 O PRO A 95 2.407 21.323 8.536 1.00 0.00 O ATOM 1258 CB PRO A 95 4.290 20.991 6.232 1.00 0.00 C ATOM 1259 CG PRO A 95 4.450 20.691 4.712 1.00 0.00 C ATOM 1260 CD PRO A 95 3.471 19.562 4.349 1.00 0.00 C ATOM 0 HA PRO A 95 3.801 19.293 7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.906 21.999 6.386 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.254 20.937 6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.239 21.583 4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.475 20.395 4.487 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.733 19.896 3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.992 18.712 3.909 1.00 0.00 H new ATOM 1268 N SER A 96 0.962 20.409 7.128 1.00 0.00 N ATOM 1269 CA SER A 96 -0.194 21.032 7.824 1.00 0.00 C ATOM 1270 C SER A 96 -1.092 19.951 8.434 1.00 0.00 C ATOM 1271 O SER A 96 -1.557 20.093 9.548 1.00 0.00 O ATOM 1272 CB SER A 96 -0.997 21.852 6.804 1.00 0.00 C ATOM 1273 OG SER A 96 -0.326 21.640 5.569 1.00 0.00 O ATOM 0 H SER A 96 0.727 19.830 6.322 1.00 0.00 H new ATOM 0 HA SER A 96 0.167 21.677 8.625 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.034 21.519 6.755 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.014 22.909 7.070 1.00 0.00 H new ATOM 0 HG SER A 96 -0.785 22.135 4.858 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.325 18.896 7.697 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.209 17.820 8.242 1.00 0.00 C ATOM 1281 C GLY A 97 -2.010 16.486 7.517 1.00 0.00 C ATOM 1282 O GLY A 97 -1.077 16.321 6.757 1.00 0.00 O ATOM 0 H GLY A 97 -0.952 18.733 6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.005 17.688 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.251 18.128 8.153 1.00 0.00 H new ATOM 1286 N SER A 98 -2.891 15.558 7.785 1.00 0.00 N ATOM 1287 CA SER A 98 -2.791 14.227 7.114 1.00 0.00 C ATOM 1288 C SER A 98 -4.176 13.640 6.835 1.00 0.00 C ATOM 1289 O SER A 98 -5.118 13.845 7.575 1.00 0.00 O ATOM 1290 CB SER A 98 -2.008 13.266 8.010 1.00 0.00 C ATOM 1291 OG SER A 98 -0.672 13.743 7.923 1.00 0.00 O ATOM 0 H SER A 98 -3.670 15.662 8.435 1.00 0.00 H new ATOM 0 HA SER A 98 -2.277 14.362 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.375 13.286 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.090 12.236 7.662 1.00 0.00 H new ATOM 0 HG SER A 98 -0.099 13.222 8.524 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.251 12.925 5.745 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.528 12.278 5.330 1.00 0.00 C ATOM 1299 C ASP A 99 -5.232 10.809 5.066 1.00 0.00 C ATOM 1300 O ASP A 99 -4.188 10.486 4.537 1.00 0.00 O ATOM 1301 CB ASP A 99 -6.011 12.924 4.040 1.00 0.00 C ATOM 1302 CG ASP A 99 -6.198 14.424 4.271 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -5.356 15.007 4.932 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.180 14.910 3.744 1.00 0.00 O ATOM 0 H ASP A 99 -3.467 12.760 5.114 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.290 12.389 6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.289 12.754 3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -6.951 12.472 3.722 1.00 0.00 H new ATOM 1309 N THR A 100 -6.141 9.944 5.416 1.00 0.00 N ATOM 1310 CA THR A 100 -5.844 8.508 5.172 1.00 0.00 C ATOM 1311 C THR A 100 -6.953 7.778 4.414 1.00 0.00 C ATOM 1312 O THR A 100 -8.130 7.931 4.673 1.00 0.00 O ATOM 1313 CB THR A 100 -5.606 7.838 6.517 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.545 8.585 7.096 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.018 6.437 6.320 1.00 0.00 C ATOM 0 H THR A 100 -7.042 10.156 5.844 1.00 0.00 H new ATOM 0 HA THR A 100 -4.960 8.453 4.537 1.00 0.00 H new ATOM 0 HB THR A 100 -6.531 7.789 7.092 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.327 8.215 7.977 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.854 5.971 7.292 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.712 5.829 5.739 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.069 6.512 5.789 1.00 0.00 H new ATOM 1323 N THR A 101 -6.491 6.992 3.485 1.00 0.00 N ATOM 1324 CA THR A 101 -7.382 6.168 2.614 1.00 0.00 C ATOM 1325 C THR A 101 -6.897 4.724 2.803 1.00 0.00 C ATOM 1326 O THR A 101 -5.706 4.537 2.907 1.00 0.00 O ATOM 1327 CB THR A 101 -7.140 6.634 1.170 1.00 0.00 C ATOM 1328 OG1 THR A 101 -6.272 7.752 1.303 1.00 0.00 O ATOM 1329 CG2 THR A 101 -8.400 7.245 0.557 1.00 0.00 C ATOM 0 H THR A 101 -5.497 6.881 3.284 1.00 0.00 H new ATOM 0 HA THR A 101 -8.444 6.253 2.846 1.00 0.00 H new ATOM 0 HB THR A 101 -6.787 5.795 0.569 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.434 7.574 0.828 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.190 7.563 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.198 6.502 0.549 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.712 8.106 1.148 1.00 0.00 H new ATOM 1337 N TYR A 102 -7.724 3.709 2.829 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.092 2.369 3.057 1.00 0.00 C ATOM 1339 C TYR A 102 -7.590 1.211 2.187 1.00 0.00 C ATOM 1340 O TYR A 102 -8.762 1.013 1.943 1.00 0.00 O ATOM 1341 CB TYR A 102 -7.232 1.960 4.541 1.00 0.00 C ATOM 1342 CG TYR A 102 -7.888 3.071 5.364 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -9.078 3.625 4.952 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.318 3.507 6.542 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -9.700 4.599 5.703 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.936 4.485 7.295 1.00 0.00 C ATOM 1347 CZ TYR A 102 -9.132 5.037 6.881 1.00 0.00 C ATOM 1348 OH TYR A 102 -9.752 6.012 7.636 1.00 0.00 O ATOM 0 H TYR A 102 -8.737 3.736 2.712 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.055 2.526 2.760 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.827 1.050 4.615 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.249 1.732 4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.530 3.293 4.029 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.384 3.081 6.877 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.636 5.021 5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.481 4.821 8.215 1.00 0.00 H new ATOM 0 HH TYR A 102 -9.214 6.199 8.434 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.626 0.447 1.763 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.873 -0.740 0.911 1.00 0.00 C ATOM 1360 C PHE A 103 -6.726 -1.995 1.758 1.00 0.00 C ATOM 1361 O PHE A 103 -5.677 -2.253 2.313 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.799 -0.811 -0.170 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.632 0.553 -0.823 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.164 1.629 -0.095 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.982 0.722 -2.145 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.059 2.870 -0.680 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -5.875 1.963 -2.735 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.418 3.036 -1.997 1.00 0.00 C ATOM 0 H PHE A 103 -5.642 0.605 1.982 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.869 -0.667 0.475 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.853 -1.134 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.074 -1.552 -0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.879 1.496 0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.341 -0.119 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.696 3.710 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.148 2.095 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.342 4.011 -2.456 1.00 0.00 H new ATOM 1378 N SER A 104 -7.779 -2.738 1.899 1.00 0.00 N ATOM 1379 CA SER A 104 -7.611 -3.991 2.678 1.00 0.00 C ATOM 1380 C SER A 104 -6.973 -4.955 1.676 1.00 0.00 C ATOM 1381 O SER A 104 -7.549 -5.227 0.644 1.00 0.00 O ATOM 1382 CB SER A 104 -8.983 -4.498 3.130 1.00 0.00 C ATOM 1383 OG SER A 104 -9.865 -3.425 2.838 1.00 0.00 O ATOM 0 H SER A 104 -8.710 -2.548 1.529 1.00 0.00 H new ATOM 0 HA SER A 104 -7.008 -3.871 3.578 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.268 -5.404 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.988 -4.739 4.193 1.00 0.00 H new ATOM 0 HG SER A 104 -9.866 -2.790 3.585 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.799 -5.447 1.959 1.00 0.00 N ATOM 1390 CA VAL A 105 -5.173 -6.354 0.958 1.00 0.00 C ATOM 1391 C VAL A 105 -4.845 -7.675 1.639 1.00 0.00 C ATOM 1392 O VAL A 105 -4.167 -7.729 2.646 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.895 -5.700 0.385 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.990 -4.179 0.536 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -2.674 -6.212 1.139 1.00 0.00 C ATOM 0 H VAL A 105 -5.262 -5.269 2.808 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.859 -6.535 0.131 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.799 -5.956 -0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.089 -3.716 0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.861 -3.813 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.087 -3.923 1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.775 -5.749 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.766 -5.960 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.606 -7.294 1.029 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.405 -8.714 1.095 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.147 -10.054 1.682 1.00 0.00 C ATOM 1407 C ASN A 106 -4.734 -11.086 0.641 1.00 0.00 C ATOM 1408 O ASN A 106 -5.515 -11.517 -0.182 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.408 -10.524 2.396 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.582 -10.637 1.425 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -8.179 -9.653 1.032 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -7.969 -11.824 1.045 1.00 0.00 N ATOM 0 H ASN A 106 -6.021 -8.697 0.282 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.314 -9.958 2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.225 -11.491 2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.659 -9.826 3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.769 -11.924 0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.471 -12.652 1.372 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.479 -11.430 0.668 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.015 -12.461 -0.299 1.00 0.00 C ATOM 1421 C VAL A 107 -2.857 -13.805 0.413 1.00 0.00 C ATOM 1422 O VAL A 107 -2.229 -13.901 1.449 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.680 -12.030 -0.901 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -0.643 -11.875 0.211 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.217 -13.133 -1.857 1.00 0.00 C ATOM 0 H VAL A 107 -2.771 -11.055 1.299 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.751 -12.568 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.792 -11.081 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 107 0.310 -11.567 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.981 -11.120 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -0.517 -12.827 0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.263 -12.851 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.099 -14.066 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.959 -13.268 -2.644 1.00 0.00 H new ATOM 1435 N SER A 108 -3.455 -14.811 -0.163 1.00 0.00 N ATOM 1436 CA SER A 108 -3.361 -16.166 0.446 1.00 0.00 C ATOM 1437 C SER A 108 -3.682 -17.243 -0.589 1.00 0.00 C ATOM 1438 O SER A 108 -4.264 -16.970 -1.619 1.00 0.00 O ATOM 1439 CB SER A 108 -4.352 -16.270 1.605 1.00 0.00 C ATOM 1440 OG SER A 108 -4.220 -17.619 2.029 1.00 0.00 O ATOM 0 H SER A 108 -4.001 -14.754 -1.023 1.00 0.00 H new ATOM 0 HA SER A 108 -2.344 -16.318 0.808 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.109 -15.571 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.370 -16.047 1.285 1.00 0.00 H new ATOM 0 HG SER A 108 -4.824 -17.786 2.782 1.00 0.00 H new