USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 786 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 48 SER OG : rot 86:sc= 0.182 USER MOD Set 1.2: A 97 ASN : amide:sc= -3.37 K(o=-3.2,f=-13!) USER MOD Set 2.1: A 29 SER OG : rot 34:sc= 0.129 USER MOD Set 2.2: A 37 ASN :FLIP amide:sc= 0.153 F(o=-0.54,f=0.28) USER MOD Set 3.1: A 19 HIS : no HD1:sc= 0.0727 K(o=0.11,f=-3.6) USER MOD Set 3.2: A 103 GLN : amide:sc= 0.0411 K(o=0.11,f=-2.6!) USER MOD Set 4.1: A 16 GLN :FLIP amide:sc= -0.166 F(o=-1.8,f=-0.56) USER MOD Set 4.2: A 47 ASN :FLIP amide:sc= -0.394 F(o=-1.3,f=-0.56) USER MOD Single : A 23 HIS : no HD1:sc= 0 K(o=0,f=-2!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0031 USER MOD Single : A 39 THR OG1 : rot -13:sc= 0.383 USER MOD Single : A 41 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 30:sc= -0.698 USER MOD Single : A 57 MET CE :methyl -167:sc= 0 (180deg=-0.0688) USER MOD Single : A 58 SER OG : rot 67:sc= 0.399 USER MOD Single : A 60 ASN : amide:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.7!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -29:sc= 0.891 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 140:sc= -0.82 USER MOD Single : A 89 TYR OH : rot 46:sc= 0.926 USER MOD Single : A 90 GLN : amide:sc= -1.71 K(o=-1.7,f=-3) USER MOD Single : A 94 CYS SG : rot -129:sc= -1.63! USER MOD Single : A 101 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.256) USER MOD Single : A 105 SER OG : rot 160:sc= -1.22 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 150:sc= 0.0299 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 211 N GLN A 16 18.266 -14.969 0.725 1.00 0.00 N ATOM 212 CA GLN A 16 17.042 -15.382 0.060 1.00 0.00 C ATOM 213 C GLN A 16 16.144 -14.170 -0.198 1.00 0.00 C ATOM 214 O GLN A 16 16.413 -13.077 0.297 1.00 0.00 O ATOM 215 CB GLN A 16 16.306 -16.446 0.877 1.00 0.00 C ATOM 216 CG GLN A 16 15.968 -15.926 2.276 1.00 0.00 C ATOM 217 CD GLN A 16 16.402 -16.924 3.352 1.00 0.00 C ATOM 218 OE1 GLN A 16 17.669 -17.315 3.246 1.00 0.00 O flip ATOM 219 NE2 GLN A 16 15.638 -17.312 4.220 1.00 0.00 N flip ATOM 0 HA GLN A 16 17.305 -15.826 -0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.390 -16.736 0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.924 -17.340 0.957 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.463 -14.969 2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.895 -15.747 2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.677 -16.971 4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.960 -17.977 4.923 1.00 0.00 H new ATOM 228 N LEU A 17 15.094 -14.406 -0.971 1.00 0.00 N ATOM 229 CA LEU A 17 14.155 -13.348 -1.301 1.00 0.00 C ATOM 230 C LEU A 17 13.167 -13.170 -0.146 1.00 0.00 C ATOM 231 O LEU A 17 12.838 -14.132 0.547 1.00 0.00 O ATOM 232 CB LEU A 17 13.483 -13.628 -2.647 1.00 0.00 C ATOM 233 CG LEU A 17 14.276 -13.220 -3.890 1.00 0.00 C ATOM 234 CD1 LEU A 17 13.511 -13.571 -5.168 1.00 0.00 C ATOM 235 CD2 LEU A 17 14.655 -11.739 -3.837 1.00 0.00 C ATOM 0 H LEU A 17 14.873 -15.315 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 17 14.678 -12.399 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.271 -14.695 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.524 -13.111 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 17 15.205 -13.789 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.097 -13.270 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.335 -14.646 -5.203 1.00 0.00 H new ATOM 0 HD13 LEU A 17 12.555 -13.047 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 17 15.218 -11.475 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.750 -11.133 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 17 15.267 -11.551 -2.955 1.00 0.00 H new ATOM 247 N PRO A 18 12.711 -11.901 0.031 1.00 0.00 N ATOM 248 CA PRO A 18 11.768 -11.585 1.090 1.00 0.00 C ATOM 249 C PRO A 18 10.363 -12.078 0.738 1.00 0.00 C ATOM 250 O PRO A 18 10.174 -12.758 -0.269 1.00 0.00 O ATOM 251 CB PRO A 18 11.846 -10.076 1.248 1.00 0.00 C ATOM 252 CG PRO A 18 12.477 -9.554 -0.032 1.00 0.00 C ATOM 253 CD PRO A 18 13.080 -10.738 -0.771 1.00 0.00 C ATOM 0 HA PRO A 18 12.007 -12.083 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.855 -9.647 1.398 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.445 -9.805 2.117 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.730 -9.058 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.245 -8.814 0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.686 -10.815 -1.785 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.162 -10.643 -0.856 1.00 0.00 H new ATOM 261 N HIS A 19 9.414 -11.716 1.588 1.00 0.00 N ATOM 262 CA HIS A 19 8.031 -12.113 1.380 1.00 0.00 C ATOM 263 C HIS A 19 7.140 -10.870 1.344 1.00 0.00 C ATOM 264 O HIS A 19 7.564 -9.786 1.742 1.00 0.00 O ATOM 265 CB HIS A 19 7.592 -13.127 2.437 1.00 0.00 C ATOM 266 CG HIS A 19 7.425 -14.532 1.909 1.00 0.00 C ATOM 267 ND1 HIS A 19 6.207 -15.189 1.900 1.00 0.00 N ATOM 268 CD2 HIS A 19 8.333 -15.396 1.371 1.00 0.00 C ATOM 269 CE1 HIS A 19 6.386 -16.394 1.380 1.00 0.00 C ATOM 270 NE2 HIS A 19 7.704 -16.521 1.053 1.00 0.00 N ATOM 0 H HIS A 19 9.575 -11.152 2.423 1.00 0.00 H new ATOM 0 HA HIS A 19 7.934 -12.615 0.417 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.326 -13.138 3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.648 -12.798 2.871 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.385 -15.198 1.228 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.622 -17.144 1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 19 8.135 -17.345 0.633 1.00 0.00 H new ATOM 278 N ALA A 20 5.922 -11.068 0.863 1.00 0.00 N ATOM 279 CA ALA A 20 4.967 -9.976 0.770 1.00 0.00 C ATOM 280 C ALA A 20 4.615 -9.492 2.178 1.00 0.00 C ATOM 281 O ALA A 20 4.850 -10.197 3.158 1.00 0.00 O ATOM 282 CB ALA A 20 3.737 -10.439 -0.012 1.00 0.00 C ATOM 0 H ALA A 20 5.574 -11.968 0.533 1.00 0.00 H new ATOM 0 HA ALA A 20 5.398 -9.133 0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.021 -9.620 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.037 -10.745 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.275 -11.282 0.502 1.00 0.00 H new ATOM 288 N PRO A 21 4.042 -8.260 2.235 1.00 0.00 N ATOM 289 CA PRO A 21 3.654 -7.672 3.506 1.00 0.00 C ATOM 290 C PRO A 21 2.382 -8.327 4.047 1.00 0.00 C ATOM 291 O PRO A 21 1.627 -8.941 3.295 1.00 0.00 O ATOM 292 CB PRO A 21 3.483 -6.190 3.219 1.00 0.00 C ATOM 293 CG PRO A 21 3.326 -6.073 1.711 1.00 0.00 C ATOM 294 CD PRO A 21 3.748 -7.396 1.095 1.00 0.00 C ATOM 0 HA PRO A 21 4.399 -7.829 4.286 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.610 -5.790 3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.346 -5.623 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.293 -5.843 1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.940 -5.259 1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.955 -7.815 0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.622 -7.274 0.455 1.00 0.00 H new ATOM 302 N GLU A 22 2.183 -8.174 5.348 1.00 0.00 N ATOM 303 CA GLU A 22 1.015 -8.743 5.999 1.00 0.00 C ATOM 304 C GLU A 22 0.065 -7.632 6.449 1.00 0.00 C ATOM 305 O GLU A 22 0.347 -6.451 6.252 1.00 0.00 O ATOM 306 CB GLU A 22 1.422 -9.628 7.179 1.00 0.00 C ATOM 307 CG GLU A 22 1.353 -11.109 6.803 1.00 0.00 C ATOM 308 CD GLU A 22 0.781 -11.941 7.952 1.00 0.00 C ATOM 309 OE1 GLU A 22 -0.230 -11.489 8.532 1.00 0.00 O ATOM 310 OE2 GLU A 22 1.367 -13.011 8.226 1.00 0.00 O ATOM 0 H GLU A 22 2.811 -7.664 5.969 1.00 0.00 H new ATOM 0 HA GLU A 22 0.492 -9.372 5.279 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.434 -9.376 7.495 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.766 -9.434 8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.733 -11.234 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.350 -11.470 6.549 1.00 0.00 H new ATOM 317 N HIS A 23 -1.042 -8.049 7.046 1.00 0.00 N ATOM 318 CA HIS A 23 -2.036 -7.104 7.525 1.00 0.00 C ATOM 319 C HIS A 23 -2.128 -5.921 6.559 1.00 0.00 C ATOM 320 O HIS A 23 -1.967 -4.771 6.964 1.00 0.00 O ATOM 321 CB HIS A 23 -1.729 -6.675 8.961 1.00 0.00 C ATOM 322 CG HIS A 23 -2.855 -6.934 9.934 1.00 0.00 C ATOM 323 ND1 HIS A 23 -3.982 -6.133 10.007 1.00 0.00 N ATOM 324 CD2 HIS A 23 -3.017 -7.912 10.870 1.00 0.00 C ATOM 325 CE1 HIS A 23 -4.778 -6.617 10.949 1.00 0.00 C ATOM 326 NE2 HIS A 23 -4.178 -7.719 11.483 1.00 0.00 N ATOM 0 H HIS A 23 -1.272 -9.029 7.209 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.015 -7.582 7.552 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.838 -7.201 9.304 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.493 -5.611 8.969 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.318 -8.709 11.077 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.734 -6.210 11.243 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.559 -8.299 12.230 1.00 0.00 H new ATOM 334 N PRO A 24 -2.392 -6.253 5.267 1.00 0.00 N ATOM 335 CA PRO A 24 -2.507 -5.232 4.240 1.00 0.00 C ATOM 336 C PRO A 24 -3.837 -4.484 4.357 1.00 0.00 C ATOM 337 O PRO A 24 -4.762 -4.733 3.586 1.00 0.00 O ATOM 338 CB PRO A 24 -2.358 -5.978 2.925 1.00 0.00 C ATOM 339 CG PRO A 24 -2.631 -7.440 3.241 1.00 0.00 C ATOM 340 CD PRO A 24 -2.589 -7.605 4.752 1.00 0.00 C ATOM 0 HA PRO A 24 -1.746 -4.457 4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.060 -5.602 2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.357 -5.848 2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.604 -7.740 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.886 -8.079 2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.514 -8.041 5.129 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.778 -8.267 5.056 1.00 0.00 H new ATOM 348 N VAL A 25 -3.889 -3.583 5.327 1.00 0.00 N ATOM 349 CA VAL A 25 -5.091 -2.798 5.554 1.00 0.00 C ATOM 350 C VAL A 25 -4.949 -1.444 4.855 1.00 0.00 C ATOM 351 O VAL A 25 -3.887 -0.825 4.902 1.00 0.00 O ATOM 352 CB VAL A 25 -5.357 -2.671 7.055 1.00 0.00 C ATOM 353 CG1 VAL A 25 -6.775 -2.162 7.320 1.00 0.00 C ATOM 354 CG2 VAL A 25 -5.108 -4.000 7.770 1.00 0.00 C ATOM 0 H VAL A 25 -3.119 -3.379 5.964 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.960 -3.296 5.125 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.658 -1.938 7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.938 -2.081 8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.902 -1.183 6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.497 -2.859 6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.304 -3.882 8.836 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.771 -4.763 7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.071 -4.303 7.623 1.00 0.00 H new ATOM 364 N ALA A 26 -6.035 -1.024 4.223 1.00 0.00 N ATOM 365 CA ALA A 26 -6.046 0.246 3.516 1.00 0.00 C ATOM 366 C ALA A 26 -7.334 1.000 3.851 1.00 0.00 C ATOM 367 O ALA A 26 -8.431 0.507 3.594 1.00 0.00 O ATOM 368 CB ALA A 26 -5.890 -0.005 2.015 1.00 0.00 C ATOM 0 H ALA A 26 -6.914 -1.540 4.186 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.209 0.869 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.898 0.947 1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.946 -0.517 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.715 -0.624 1.662 1.00 0.00 H new ATOM 374 N THR A 27 -7.158 2.185 4.418 1.00 0.00 N ATOM 375 CA THR A 27 -8.292 3.012 4.790 1.00 0.00 C ATOM 376 C THR A 27 -8.027 4.475 4.429 1.00 0.00 C ATOM 377 O THR A 27 -6.890 4.939 4.500 1.00 0.00 O ATOM 378 CB THR A 27 -8.568 2.795 6.279 1.00 0.00 C ATOM 379 OG1 THR A 27 -7.310 2.386 6.809 1.00 0.00 O ATOM 380 CG2 THR A 27 -9.487 1.599 6.537 1.00 0.00 C ATOM 0 H THR A 27 -6.246 2.591 4.629 1.00 0.00 H new ATOM 0 HA THR A 27 -9.186 2.729 4.234 1.00 0.00 H new ATOM 0 HB THR A 27 -9.017 3.695 6.699 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.397 2.225 7.772 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.650 1.490 7.609 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.443 1.761 6.039 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.023 0.693 6.147 1.00 0.00 H new ATOM 388 N LEU A 28 -9.095 5.161 4.048 1.00 0.00 N ATOM 389 CA LEU A 28 -8.992 6.561 3.675 1.00 0.00 C ATOM 390 C LEU A 28 -8.315 7.337 4.807 1.00 0.00 C ATOM 391 O LEU A 28 -8.200 6.838 5.925 1.00 0.00 O ATOM 392 CB LEU A 28 -10.364 7.114 3.285 1.00 0.00 C ATOM 393 CG LEU A 28 -10.465 7.734 1.890 1.00 0.00 C ATOM 394 CD1 LEU A 28 -11.124 6.766 0.906 1.00 0.00 C ATOM 395 CD2 LEU A 28 -11.188 9.082 1.940 1.00 0.00 C ATOM 0 H LEU A 28 -10.036 4.773 3.990 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.365 6.675 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.093 6.306 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.652 7.868 4.018 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.455 7.924 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.183 7.232 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.531 5.854 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.128 6.522 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.246 9.501 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.195 8.941 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.639 9.766 2.587 1.00 0.00 H new ATOM 407 N SER A 29 -7.884 8.546 4.477 1.00 0.00 N ATOM 408 CA SER A 29 -7.222 9.396 5.452 1.00 0.00 C ATOM 409 C SER A 29 -8.263 10.169 6.265 1.00 0.00 C ATOM 410 O SER A 29 -9.011 10.976 5.716 1.00 0.00 O ATOM 411 CB SER A 29 -6.255 10.366 4.770 1.00 0.00 C ATOM 412 OG SER A 29 -5.043 10.515 5.505 1.00 0.00 O ATOM 0 H SER A 29 -7.980 8.957 3.548 1.00 0.00 H new ATOM 0 HA SER A 29 -6.644 8.761 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.029 10.007 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.734 11.339 4.660 1.00 0.00 H new ATOM 0 HG SER A 29 -4.814 9.664 5.933 1.00 0.00 H new ATOM 418 N THR A 30 -8.277 9.895 7.562 1.00 0.00 N ATOM 419 CA THR A 30 -9.213 10.554 8.456 1.00 0.00 C ATOM 420 C THR A 30 -8.658 11.906 8.906 1.00 0.00 C ATOM 421 O THR A 30 -8.846 12.308 10.054 1.00 0.00 O ATOM 422 CB THR A 30 -9.508 9.602 9.616 1.00 0.00 C ATOM 423 OG1 THR A 30 -8.259 9.476 10.289 1.00 0.00 O ATOM 424 CG2 THR A 30 -9.822 8.181 9.143 1.00 0.00 C ATOM 0 H THR A 30 -7.655 9.225 8.014 1.00 0.00 H new ATOM 0 HA THR A 30 -10.153 10.776 7.951 1.00 0.00 H new ATOM 0 HB THR A 30 -10.348 9.986 10.194 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.360 8.876 11.057 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.024 7.546 10.006 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.697 8.199 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.969 7.784 8.592 1.00 0.00 H new ATOM 432 N VAL A 31 -7.985 12.572 7.979 1.00 0.00 N ATOM 433 CA VAL A 31 -7.401 13.871 8.267 1.00 0.00 C ATOM 434 C VAL A 31 -7.203 14.638 6.957 1.00 0.00 C ATOM 435 O VAL A 31 -7.524 15.822 6.872 1.00 0.00 O ATOM 436 CB VAL A 31 -6.104 13.699 9.060 1.00 0.00 C ATOM 437 CG1 VAL A 31 -6.363 12.970 10.380 1.00 0.00 C ATOM 438 CG2 VAL A 31 -5.046 12.971 8.229 1.00 0.00 C ATOM 0 H VAL A 31 -7.831 12.236 7.028 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.072 14.461 8.892 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.720 14.692 9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.425 12.860 10.925 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.067 13.545 10.981 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.781 11.984 10.175 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.134 12.862 8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.418 11.985 7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.831 13.547 7.329 1.00 0.00 H new ATOM 448 N GLU A 32 -6.675 13.930 5.969 1.00 0.00 N ATOM 449 CA GLU A 32 -6.430 14.529 4.668 1.00 0.00 C ATOM 450 C GLU A 32 -7.494 14.075 3.666 1.00 0.00 C ATOM 451 O GLU A 32 -7.888 12.910 3.659 1.00 0.00 O ATOM 452 CB GLU A 32 -5.025 14.192 4.165 1.00 0.00 C ATOM 453 CG GLU A 32 -4.178 15.458 4.016 1.00 0.00 C ATOM 454 CD GLU A 32 -2.702 15.166 4.292 1.00 0.00 C ATOM 455 OE1 GLU A 32 -2.421 14.667 5.403 1.00 0.00 O ATOM 456 OE2 GLU A 32 -1.889 15.448 3.386 1.00 0.00 O ATOM 0 H GLU A 32 -6.410 12.948 6.043 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.494 15.612 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.541 13.506 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.092 13.680 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.291 15.859 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.536 16.223 4.705 1.00 0.00 H new ATOM 463 N ARG A 33 -7.929 15.020 2.845 1.00 0.00 N ATOM 464 CA ARG A 33 -8.940 14.732 1.842 1.00 0.00 C ATOM 465 C ARG A 33 -8.286 14.180 0.573 1.00 0.00 C ATOM 466 O ARG A 33 -7.164 14.554 0.236 1.00 0.00 O ATOM 467 CB ARG A 33 -9.741 15.987 1.491 1.00 0.00 C ATOM 468 CG ARG A 33 -10.898 16.192 2.471 1.00 0.00 C ATOM 469 CD ARG A 33 -11.991 15.143 2.257 1.00 0.00 C ATOM 470 NE ARG A 33 -12.940 15.161 3.392 1.00 0.00 N ATOM 471 CZ ARG A 33 -14.106 14.501 3.407 1.00 0.00 C ATOM 472 NH1 ARG A 33 -14.473 13.766 2.349 1.00 0.00 N ATOM 473 NH2 ARG A 33 -14.904 14.576 4.481 1.00 0.00 N ATOM 0 H ARG A 33 -7.600 15.985 2.854 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.618 13.987 2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.086 16.858 1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.130 15.902 0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.527 16.132 3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.317 17.190 2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.521 15.343 1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.543 14.154 2.162 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.691 15.710 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.865 13.709 1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.361 13.264 2.360 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.624 15.135 5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.792 14.074 4.493 1.00 0.00 H new ATOM 487 N ARG A 34 -9.017 13.300 -0.096 1.00 0.00 N ATOM 488 CA ARG A 34 -8.522 12.694 -1.320 1.00 0.00 C ATOM 489 C ARG A 34 -7.195 11.978 -1.059 1.00 0.00 C ATOM 490 O ARG A 34 -6.333 11.923 -1.935 1.00 0.00 O ATOM 491 CB ARG A 34 -8.319 13.746 -2.413 1.00 0.00 C ATOM 492 CG ARG A 34 -9.649 14.394 -2.803 1.00 0.00 C ATOM 493 CD ARG A 34 -9.589 14.957 -4.225 1.00 0.00 C ATOM 494 NE ARG A 34 -8.821 16.222 -4.237 1.00 0.00 N ATOM 495 CZ ARG A 34 -8.574 16.940 -5.340 1.00 0.00 C ATOM 496 NH1 ARG A 34 -9.033 16.523 -6.528 1.00 0.00 N ATOM 497 NH2 ARG A 34 -7.868 18.076 -5.256 1.00 0.00 N ATOM 0 H ARG A 34 -9.948 12.993 0.186 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.267 11.974 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.626 14.511 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.865 13.283 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.450 13.658 -2.733 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.888 15.193 -2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.122 14.232 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.598 15.131 -4.599 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.457 16.569 -3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.571 15.659 -6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.845 17.070 -7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.519 18.394 -4.352 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.680 18.623 -6.096 1.00 0.00 H new ATOM 511 N ALA A 35 -7.074 11.446 0.148 1.00 0.00 N ATOM 512 CA ALA A 35 -5.867 10.736 0.535 1.00 0.00 C ATOM 513 C ALA A 35 -6.251 9.413 1.201 1.00 0.00 C ATOM 514 O ALA A 35 -7.219 9.352 1.957 1.00 0.00 O ATOM 515 CB ALA A 35 -5.022 11.625 1.450 1.00 0.00 C ATOM 0 H ALA A 35 -7.792 11.492 0.871 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.262 10.502 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.117 11.092 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.751 12.539 0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.595 11.878 2.342 1.00 0.00 H new ATOM 521 N ILE A 36 -5.472 8.385 0.895 1.00 0.00 N ATOM 522 CA ILE A 36 -5.718 7.067 1.454 1.00 0.00 C ATOM 523 C ILE A 36 -4.565 6.690 2.386 1.00 0.00 C ATOM 524 O ILE A 36 -3.407 6.990 2.100 1.00 0.00 O ATOM 525 CB ILE A 36 -5.965 6.050 0.338 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.246 6.380 -0.431 1.00 0.00 C ATOM 527 CG2 ILE A 36 -5.980 4.623 0.890 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.440 5.422 -1.609 1.00 0.00 C ATOM 0 H ILE A 36 -4.670 8.439 0.267 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.626 7.072 2.056 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.139 6.113 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.103 6.317 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.202 7.406 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.157 3.920 0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.020 4.403 1.357 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.774 4.528 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.357 5.678 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.593 5.506 -2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.508 4.399 -1.239 1.00 0.00 H new ATOM 540 N ASN A 37 -4.922 6.037 3.482 1.00 0.00 N ATOM 541 CA ASN A 37 -3.932 5.615 4.458 1.00 0.00 C ATOM 542 C ASN A 37 -3.665 4.118 4.293 1.00 0.00 C ATOM 543 O ASN A 37 -4.554 3.297 4.515 1.00 0.00 O ATOM 544 CB ASN A 37 -4.429 5.853 5.885 1.00 0.00 C ATOM 545 CG ASN A 37 -3.465 6.754 6.659 1.00 0.00 C ATOM 546 OD1 ASN A 37 -3.972 7.942 6.977 1.00 0.00 O flip ATOM 547 ND2 ASN A 37 -2.335 6.395 6.948 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.884 5.790 3.716 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.025 6.196 4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.418 6.311 5.858 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.534 4.899 6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.008 5.469 6.673 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.717 7.021 7.465 1.00 0.00 H new ATOM 554 N LEU A 38 -2.436 3.807 3.906 1.00 0.00 N ATOM 555 CA LEU A 38 -2.042 2.423 3.709 1.00 0.00 C ATOM 556 C LEU A 38 -1.263 1.940 4.934 1.00 0.00 C ATOM 557 O LEU A 38 -0.388 2.645 5.436 1.00 0.00 O ATOM 558 CB LEU A 38 -1.277 2.266 2.393 1.00 0.00 C ATOM 559 CG LEU A 38 -1.632 1.037 1.553 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.684 -0.125 1.854 1.00 0.00 C ATOM 561 CD2 LEU A 38 -3.098 0.645 1.748 1.00 0.00 C ATOM 0 H LEU A 38 -1.701 4.490 3.724 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.922 1.786 3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.448 3.157 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.211 2.233 2.617 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.504 1.293 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.958 -0.986 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.339 0.171 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.757 -0.390 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.324 -0.231 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.276 0.414 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.739 1.473 1.445 1.00 0.00 H new ATOM 573 N THR A 39 -1.608 0.741 5.381 1.00 0.00 N ATOM 574 CA THR A 39 -0.953 0.156 6.538 1.00 0.00 C ATOM 575 C THR A 39 -0.743 -1.345 6.329 1.00 0.00 C ATOM 576 O THR A 39 -1.693 -2.076 6.055 1.00 0.00 O ATOM 577 CB THR A 39 -1.791 0.486 7.774 1.00 0.00 C ATOM 578 OG1 THR A 39 -3.033 -0.170 7.536 1.00 0.00 O ATOM 579 CG2 THR A 39 -2.161 1.969 7.851 1.00 0.00 C ATOM 0 H THR A 39 -2.333 0.159 4.962 1.00 0.00 H new ATOM 0 HA THR A 39 0.043 0.575 6.682 1.00 0.00 H new ATOM 0 HB THR A 39 -1.242 0.202 8.672 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.080 -0.451 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.756 2.150 8.747 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.252 2.569 7.892 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.739 2.246 6.970 1.00 0.00 H new ATOM 587 N TRP A 40 0.508 -1.761 6.467 1.00 0.00 N ATOM 588 CA TRP A 40 0.854 -3.161 6.298 1.00 0.00 C ATOM 589 C TRP A 40 1.850 -3.538 7.396 1.00 0.00 C ATOM 590 O TRP A 40 2.358 -2.670 8.103 1.00 0.00 O ATOM 591 CB TRP A 40 1.389 -3.427 4.889 1.00 0.00 C ATOM 592 CG TRP A 40 2.722 -2.740 4.589 1.00 0.00 C ATOM 593 CD1 TRP A 40 3.956 -3.252 4.693 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.906 -1.384 4.129 1.00 0.00 C ATOM 595 NE1 TRP A 40 4.918 -2.329 4.335 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.260 -1.157 3.982 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.961 -0.382 3.848 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.790 0.064 3.548 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.507 0.832 3.415 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.866 1.076 3.261 1.00 0.00 C ATOM 0 H TRP A 40 1.294 -1.152 6.694 1.00 0.00 H new ATOM 0 HA TRP A 40 -0.030 -3.791 6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.508 -4.502 4.754 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.649 -3.094 4.162 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.171 -4.260 5.016 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.927 -2.480 4.330 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.898 -0.537 3.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.854 0.217 3.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.824 1.636 3.184 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.208 2.042 2.921 1.00 0.00 H new ATOM 611 N THR A 41 2.100 -4.835 7.505 1.00 0.00 N ATOM 612 CA THR A 41 3.026 -5.338 8.505 1.00 0.00 C ATOM 613 C THR A 41 4.387 -5.632 7.872 1.00 0.00 C ATOM 614 O THR A 41 4.477 -5.870 6.668 1.00 0.00 O ATOM 615 CB THR A 41 2.388 -6.560 9.168 1.00 0.00 C ATOM 616 OG1 THR A 41 1.363 -6.012 9.994 1.00 0.00 O ATOM 617 CG2 THR A 41 3.332 -7.250 10.155 1.00 0.00 C ATOM 0 H THR A 41 1.677 -5.553 6.917 1.00 0.00 H new ATOM 0 HA THR A 41 3.216 -4.593 9.278 1.00 0.00 H new ATOM 0 HB THR A 41 2.082 -7.271 8.400 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.004 -6.712 10.578 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.830 -8.111 10.597 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.228 -7.582 9.630 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.612 -6.549 10.942 1.00 0.00 H new ATOM 625 N LYS A 42 5.412 -5.606 8.710 1.00 0.00 N ATOM 626 CA LYS A 42 6.765 -5.866 8.247 1.00 0.00 C ATOM 627 C LYS A 42 6.971 -7.376 8.113 1.00 0.00 C ATOM 628 O LYS A 42 6.978 -8.097 9.110 1.00 0.00 O ATOM 629 CB LYS A 42 7.785 -5.185 9.162 1.00 0.00 C ATOM 630 CG LYS A 42 9.089 -4.902 8.414 1.00 0.00 C ATOM 631 CD LYS A 42 10.218 -5.803 8.918 1.00 0.00 C ATOM 632 CE LYS A 42 11.536 -5.476 8.214 1.00 0.00 C ATOM 633 NZ LYS A 42 12.553 -5.037 9.196 1.00 0.00 N ATOM 0 H LYS A 42 5.333 -5.409 9.708 1.00 0.00 H new ATOM 0 HA LYS A 42 6.920 -5.433 7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.371 -4.252 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.987 -5.820 10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.941 -5.061 7.346 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.368 -3.856 8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.336 -5.677 9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.959 -6.848 8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.896 -6.354 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.375 -4.693 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.442 -4.819 8.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.214 -4.187 9.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.719 -5.796 9.887 1.00 0.00 H new ATOM 647 N PRO A 43 7.138 -7.822 6.839 1.00 0.00 N ATOM 648 CA PRO A 43 7.344 -9.234 6.561 1.00 0.00 C ATOM 649 C PRO A 43 8.764 -9.665 6.935 1.00 0.00 C ATOM 650 O PRO A 43 9.583 -8.838 7.333 1.00 0.00 O ATOM 651 CB PRO A 43 7.047 -9.390 5.079 1.00 0.00 C ATOM 652 CG PRO A 43 7.139 -7.994 4.486 1.00 0.00 C ATOM 653 CD PRO A 43 7.136 -6.998 5.634 1.00 0.00 C ATOM 0 HA PRO A 43 6.695 -9.879 7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.762 -10.063 4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.056 -9.816 4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.048 -7.890 3.893 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.299 -7.808 3.817 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.010 -6.348 5.597 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.258 -6.353 5.597 1.00 0.00 H new ATOM 661 N PHE A 44 9.011 -10.959 6.795 1.00 0.00 N ATOM 662 CA PHE A 44 10.318 -11.510 7.113 1.00 0.00 C ATOM 663 C PHE A 44 11.291 -11.321 5.948 1.00 0.00 C ATOM 664 O PHE A 44 11.002 -11.721 4.822 1.00 0.00 O ATOM 665 CB PHE A 44 10.123 -13.007 7.362 1.00 0.00 C ATOM 666 CG PHE A 44 11.430 -13.784 7.534 1.00 0.00 C ATOM 667 CD1 PHE A 44 12.261 -13.960 6.472 1.00 0.00 C ATOM 668 CD2 PHE A 44 11.760 -14.298 8.749 1.00 0.00 C ATOM 669 CE1 PHE A 44 13.474 -14.681 6.632 1.00 0.00 C ATOM 670 CE2 PHE A 44 12.973 -15.020 8.909 1.00 0.00 C ATOM 671 CZ PHE A 44 13.804 -15.196 7.847 1.00 0.00 C ATOM 0 H PHE A 44 8.329 -11.642 6.466 1.00 0.00 H new ATOM 0 HA PHE A 44 10.734 -11.003 7.984 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.513 -13.140 8.255 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.565 -13.434 6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.999 -13.552 5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.100 -14.157 9.592 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.135 -14.820 5.789 1.00 0.00 H new ATOM 0 HE2 PHE A 44 13.235 -15.429 9.874 1.00 0.00 H new ATOM 0 HZ PHE A 44 14.726 -15.745 7.968 1.00 0.00 H new ATOM 681 N ASP A 45 12.425 -10.711 6.259 1.00 0.00 N ATOM 682 CA ASP A 45 13.443 -10.464 5.252 1.00 0.00 C ATOM 683 C ASP A 45 14.260 -11.739 5.036 1.00 0.00 C ATOM 684 O ASP A 45 14.543 -12.468 5.985 1.00 0.00 O ATOM 685 CB ASP A 45 14.402 -9.358 5.697 1.00 0.00 C ATOM 686 CG ASP A 45 15.540 -9.818 6.610 1.00 0.00 C ATOM 687 OD1 ASP A 45 15.228 -10.518 7.597 1.00 0.00 O ATOM 688 OD2 ASP A 45 16.696 -9.458 6.301 1.00 0.00 O ATOM 0 H ASP A 45 12.662 -10.380 7.194 1.00 0.00 H new ATOM 0 HA ASP A 45 12.941 -10.158 4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.833 -8.893 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.830 -8.588 6.214 1.00 0.00 H new ATOM 693 N GLY A 46 14.616 -11.970 3.780 1.00 0.00 N ATOM 694 CA GLY A 46 15.395 -13.145 3.427 1.00 0.00 C ATOM 695 C GLY A 46 16.863 -12.968 3.821 1.00 0.00 C ATOM 696 O GLY A 46 17.755 -13.116 2.987 1.00 0.00 O ATOM 0 H GLY A 46 14.379 -11.363 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.984 -14.022 3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.322 -13.326 2.355 1.00 0.00 H new ATOM 700 N ASN A 47 17.068 -12.654 5.092 1.00 0.00 N ATOM 701 CA ASN A 47 18.412 -12.455 5.606 1.00 0.00 C ATOM 702 C ASN A 47 19.075 -11.298 4.856 1.00 0.00 C ATOM 703 O ASN A 47 20.279 -11.324 4.606 1.00 0.00 O ATOM 704 CB ASN A 47 19.271 -13.705 5.401 1.00 0.00 C ATOM 705 CG ASN A 47 18.627 -14.926 6.060 1.00 0.00 C ATOM 706 OD1 ASN A 47 18.775 -16.054 5.370 1.00 0.00 O flip ATOM 707 ND2 ASN A 47 18.036 -14.850 7.124 1.00 0.00 N flip ATOM 0 H ASN A 47 16.326 -12.533 5.781 1.00 0.00 H new ATOM 0 HA ASN A 47 18.336 -12.240 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.402 -13.890 4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.263 -13.542 5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.959 -13.952 7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.619 -15.684 7.536 1.00 0.00 H new ATOM 714 N SER A 48 18.259 -10.310 4.518 1.00 0.00 N ATOM 715 CA SER A 48 18.751 -9.145 3.801 1.00 0.00 C ATOM 716 C SER A 48 17.949 -7.906 4.204 1.00 0.00 C ATOM 717 O SER A 48 16.740 -7.986 4.416 1.00 0.00 O ATOM 718 CB SER A 48 18.677 -9.358 2.288 1.00 0.00 C ATOM 719 OG SER A 48 18.608 -8.124 1.579 1.00 0.00 O ATOM 0 H SER A 48 17.261 -10.292 4.727 1.00 0.00 H new ATOM 0 HA SER A 48 19.797 -8.995 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.552 -9.918 1.957 1.00 0.00 H new ATOM 0 HB3 SER A 48 17.802 -9.963 2.049 1.00 0.00 H new ATOM 0 HG SER A 48 19.514 -7.788 1.418 1.00 0.00 H new ATOM 725 N PRO A 49 18.674 -6.759 4.299 1.00 0.00 N ATOM 726 CA PRO A 49 18.042 -5.504 4.672 1.00 0.00 C ATOM 727 C PRO A 49 17.227 -4.934 3.510 1.00 0.00 C ATOM 728 O PRO A 49 17.783 -4.585 2.469 1.00 0.00 O ATOM 729 CB PRO A 49 19.188 -4.598 5.095 1.00 0.00 C ATOM 730 CG PRO A 49 20.446 -5.215 4.506 1.00 0.00 C ATOM 731 CD PRO A 49 20.107 -6.626 4.055 1.00 0.00 C ATOM 0 HA PRO A 49 17.322 -5.619 5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.041 -3.583 4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.256 -4.535 6.181 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.804 -4.621 3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.245 -5.233 5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.345 -6.773 3.001 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.675 -7.368 4.616 1.00 0.00 H new ATOM 739 N LEU A 50 15.922 -4.856 3.726 1.00 0.00 N ATOM 740 CA LEU A 50 15.025 -4.334 2.710 1.00 0.00 C ATOM 741 C LEU A 50 15.642 -3.081 2.085 1.00 0.00 C ATOM 742 O LEU A 50 16.389 -2.359 2.744 1.00 0.00 O ATOM 743 CB LEU A 50 13.629 -4.107 3.293 1.00 0.00 C ATOM 744 CG LEU A 50 12.958 -5.329 3.923 1.00 0.00 C ATOM 745 CD1 LEU A 50 12.103 -4.926 5.126 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.152 -6.109 2.882 1.00 0.00 C ATOM 0 H LEU A 50 15.465 -5.146 4.590 1.00 0.00 H new ATOM 0 HA LEU A 50 14.896 -5.060 1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.695 -3.324 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.983 -3.731 2.500 1.00 0.00 H new ATOM 0 HG LEU A 50 13.738 -5.995 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.637 -5.813 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.733 -4.448 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.329 -4.229 4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.685 -6.973 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.380 -5.464 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.816 -6.446 2.086 1.00 0.00 H new ATOM 758 N ILE A 51 15.307 -2.862 0.822 1.00 0.00 N ATOM 759 CA ILE A 51 15.820 -1.708 0.102 1.00 0.00 C ATOM 760 C ILE A 51 14.691 -0.695 -0.097 1.00 0.00 C ATOM 761 O ILE A 51 14.862 0.492 0.179 1.00 0.00 O ATOM 762 CB ILE A 51 16.490 -2.146 -1.202 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.928 -2.607 -0.951 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.419 -1.037 -2.254 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.610 -3.011 -2.260 1.00 0.00 C ATOM 0 H ILE A 51 14.687 -3.463 0.279 1.00 0.00 H new ATOM 0 HA ILE A 51 16.597 -1.210 0.682 1.00 0.00 H new ATOM 0 HB ILE A 51 15.942 -3.001 -1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.493 -1.806 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.928 -3.451 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 51 16.902 -1.374 -3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.376 -0.798 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 51 16.928 -0.148 -1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.630 -3.334 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 51 18.056 -3.829 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.630 -2.158 -2.938 1.00 0.00 H new ATOM 777 N ARG A 52 13.563 -1.199 -0.575 1.00 0.00 N ATOM 778 CA ARG A 52 12.407 -0.352 -0.814 1.00 0.00 C ATOM 779 C ARG A 52 11.144 -1.205 -0.955 1.00 0.00 C ATOM 780 O ARG A 52 11.192 -2.423 -0.790 1.00 0.00 O ATOM 781 CB ARG A 52 12.591 0.487 -2.080 1.00 0.00 C ATOM 782 CG ARG A 52 12.337 -0.350 -3.335 1.00 0.00 C ATOM 783 CD ARG A 52 12.492 0.497 -4.600 1.00 0.00 C ATOM 784 NE ARG A 52 13.916 0.555 -4.998 1.00 0.00 N ATOM 785 CZ ARG A 52 14.421 1.453 -5.855 1.00 0.00 C ATOM 786 NH1 ARG A 52 13.620 2.373 -6.409 1.00 0.00 N ATOM 787 NH2 ARG A 52 15.726 1.431 -6.157 1.00 0.00 N ATOM 0 H ARG A 52 13.425 -2.183 -0.803 1.00 0.00 H new ATOM 0 HA ARG A 52 12.304 0.317 0.040 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.907 1.336 -2.060 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.602 0.893 -2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.035 -1.187 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.333 -0.773 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.897 0.071 -5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.114 1.504 -4.422 1.00 0.00 H new ATOM 0 HE ARG A 52 14.553 -0.132 -4.595 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.627 2.390 -6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.004 3.057 -7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.335 0.731 -5.735 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.110 2.115 -6.809 1.00 0.00 H new ATOM 801 N TYR A 53 10.045 -0.531 -1.259 1.00 0.00 N ATOM 802 CA TYR A 53 8.772 -1.212 -1.425 1.00 0.00 C ATOM 803 C TYR A 53 8.005 -0.656 -2.626 1.00 0.00 C ATOM 804 O TYR A 53 7.812 0.554 -2.739 1.00 0.00 O ATOM 805 CB TYR A 53 7.974 -0.929 -0.150 1.00 0.00 C ATOM 806 CG TYR A 53 8.081 -2.028 0.908 1.00 0.00 C ATOM 807 CD1 TYR A 53 9.134 -2.026 1.801 1.00 0.00 C ATOM 808 CD2 TYR A 53 7.126 -3.022 0.971 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.236 -3.060 2.797 1.00 0.00 C ATOM 810 CE2 TYR A 53 7.227 -4.056 1.968 1.00 0.00 C ATOM 811 CZ TYR A 53 8.277 -4.024 2.831 1.00 0.00 C ATOM 812 OH TYR A 53 8.373 -5.001 3.773 1.00 0.00 O ATOM 0 H TYR A 53 10.009 0.479 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 53 8.926 -2.278 -1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.319 0.011 0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.925 -0.793 -0.413 1.00 0.00 H new ATOM 0 HD1 TYR A 53 9.882 -1.248 1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.302 -3.024 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.055 -3.070 3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.486 -4.839 2.029 1.00 0.00 H new ATOM 0 HH TYR A 53 8.821 -4.645 4.569 1.00 0.00 H new ATOM 822 N ILE A 54 7.588 -1.566 -3.494 1.00 0.00 N ATOM 823 CA ILE A 54 6.846 -1.182 -4.683 1.00 0.00 C ATOM 824 C ILE A 54 5.348 -1.337 -4.416 1.00 0.00 C ATOM 825 O ILE A 54 4.826 -2.451 -4.413 1.00 0.00 O ATOM 826 CB ILE A 54 7.339 -1.970 -5.899 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.845 -1.788 -6.096 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.547 -1.594 -7.153 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.344 -2.605 -7.290 1.00 0.00 C ATOM 0 H ILE A 54 7.750 -2.568 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 54 7.021 -0.132 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 54 7.165 -3.030 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.070 -0.733 -6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.373 -2.096 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.917 -2.168 -8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.491 -1.816 -6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.668 -0.530 -7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.418 -2.458 -7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.139 -3.662 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.831 -2.278 -8.195 1.00 0.00 H new ATOM 841 N LEU A 55 4.698 -0.203 -4.199 1.00 0.00 N ATOM 842 CA LEU A 55 3.269 -0.199 -3.932 1.00 0.00 C ATOM 843 C LEU A 55 2.510 -0.017 -5.248 1.00 0.00 C ATOM 844 O LEU A 55 2.766 0.928 -5.992 1.00 0.00 O ATOM 845 CB LEU A 55 2.926 0.851 -2.874 1.00 0.00 C ATOM 846 CG LEU A 55 1.442 1.198 -2.730 1.00 0.00 C ATOM 847 CD1 LEU A 55 0.757 0.269 -1.725 1.00 0.00 C ATOM 848 CD2 LEU A 55 1.256 2.672 -2.366 1.00 0.00 C ATOM 0 H LEU A 55 5.134 0.719 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 55 2.956 -1.155 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.292 0.499 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.472 1.765 -3.108 1.00 0.00 H new ATOM 0 HG LEU A 55 0.960 1.041 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.296 0.537 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.843 -0.763 -2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.236 0.370 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.193 2.892 -2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.756 2.879 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.686 3.297 -3.148 1.00 0.00 H new ATOM 860 N GLU A 56 1.589 -0.938 -5.494 1.00 0.00 N ATOM 861 CA GLU A 56 0.791 -0.892 -6.707 1.00 0.00 C ATOM 862 C GLU A 56 -0.687 -0.692 -6.362 1.00 0.00 C ATOM 863 O GLU A 56 -1.210 -1.341 -5.457 1.00 0.00 O ATOM 864 CB GLU A 56 0.992 -2.156 -7.545 1.00 0.00 C ATOM 865 CG GLU A 56 2.161 -1.988 -8.518 1.00 0.00 C ATOM 866 CD GLU A 56 3.458 -1.678 -7.768 1.00 0.00 C ATOM 867 OE1 GLU A 56 3.530 -2.053 -6.578 1.00 0.00 O ATOM 868 OE2 GLU A 56 4.349 -1.071 -8.402 1.00 0.00 O ATOM 0 H GLU A 56 1.378 -1.720 -4.874 1.00 0.00 H new ATOM 0 HA GLU A 56 1.123 -0.043 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.180 -3.006 -6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.081 -2.377 -8.100 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.284 -2.898 -9.104 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.942 -1.184 -9.220 1.00 0.00 H new ATOM 875 N MET A 57 -1.318 0.208 -7.102 1.00 0.00 N ATOM 876 CA MET A 57 -2.724 0.501 -6.886 1.00 0.00 C ATOM 877 C MET A 57 -3.571 0.027 -8.069 1.00 0.00 C ATOM 878 O MET A 57 -3.145 0.119 -9.219 1.00 0.00 O ATOM 879 CB MET A 57 -2.909 2.008 -6.697 1.00 0.00 C ATOM 880 CG MET A 57 -4.390 2.390 -6.748 1.00 0.00 C ATOM 881 SD MET A 57 -4.904 2.616 -8.443 1.00 0.00 S ATOM 882 CE MET A 57 -4.306 4.274 -8.729 1.00 0.00 C ATOM 0 H MET A 57 -0.881 0.744 -7.852 1.00 0.00 H new ATOM 0 HA MET A 57 -3.053 -0.029 -5.992 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.484 2.313 -5.741 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.364 2.545 -7.474 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.991 1.612 -6.278 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.557 3.307 -6.183 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.738 4.663 -9.651 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.595 4.914 -7.895 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.220 4.259 -8.815 1.00 0.00 H new ATOM 892 N SER A 58 -4.756 -0.471 -7.746 1.00 0.00 N ATOM 893 CA SER A 58 -5.666 -0.959 -8.767 1.00 0.00 C ATOM 894 C SER A 58 -7.020 -0.258 -8.641 1.00 0.00 C ATOM 895 O SER A 58 -7.842 -0.634 -7.806 1.00 0.00 O ATOM 896 CB SER A 58 -5.843 -2.476 -8.668 1.00 0.00 C ATOM 897 OG SER A 58 -6.998 -2.926 -9.370 1.00 0.00 O ATOM 0 H SER A 58 -5.106 -0.547 -6.791 1.00 0.00 H new ATOM 0 HA SER A 58 -5.237 -0.733 -9.743 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.959 -2.971 -9.070 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.921 -2.764 -7.620 1.00 0.00 H new ATOM 0 HG SER A 58 -6.869 -2.791 -10.332 1.00 0.00 H new ATOM 903 N GLU A 59 -7.210 0.749 -9.481 1.00 0.00 N ATOM 904 CA GLU A 59 -8.450 1.506 -9.473 1.00 0.00 C ATOM 905 C GLU A 59 -9.494 0.825 -10.362 1.00 0.00 C ATOM 906 O GLU A 59 -9.218 0.508 -11.518 1.00 0.00 O ATOM 907 CB GLU A 59 -8.213 2.951 -9.916 1.00 0.00 C ATOM 908 CG GLU A 59 -9.344 3.864 -9.439 1.00 0.00 C ATOM 909 CD GLU A 59 -9.624 4.970 -10.458 1.00 0.00 C ATOM 910 OE1 GLU A 59 -8.949 6.017 -10.358 1.00 0.00 O ATOM 911 OE2 GLU A 59 -10.506 4.743 -11.315 1.00 0.00 O ATOM 0 H GLU A 59 -6.526 1.058 -10.172 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.831 1.531 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.262 3.306 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.140 2.994 -11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.247 3.276 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.078 4.308 -8.480 1.00 0.00 H new ATOM 918 N ASN A 60 -10.670 0.620 -9.787 1.00 0.00 N ATOM 919 CA ASN A 60 -11.756 -0.017 -10.512 1.00 0.00 C ATOM 920 C ASN A 60 -11.263 -1.341 -11.100 1.00 0.00 C ATOM 921 O ASN A 60 -11.281 -2.369 -10.425 1.00 0.00 O ATOM 922 CB ASN A 60 -12.238 0.862 -11.668 1.00 0.00 C ATOM 923 CG ASN A 60 -13.344 1.814 -11.208 1.00 0.00 C ATOM 924 OD1 ASN A 60 -14.496 1.700 -11.594 1.00 0.00 O ATOM 925 ND2 ASN A 60 -12.932 2.755 -10.364 1.00 0.00 N ATOM 0 H ASN A 60 -10.894 0.884 -8.828 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.578 -0.178 -9.814 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.401 1.436 -12.066 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.608 0.233 -12.478 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.595 3.438 -9.999 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.953 2.793 -10.082 1.00 0.00 H new ATOM 932 N ASN A 61 -10.834 -1.273 -12.352 1.00 0.00 N ATOM 933 CA ASN A 61 -10.337 -2.454 -13.038 1.00 0.00 C ATOM 934 C ASN A 61 -8.986 -2.134 -13.681 1.00 0.00 C ATOM 935 O ASN A 61 -8.574 -2.797 -14.631 1.00 0.00 O ATOM 936 CB ASN A 61 -11.296 -2.891 -14.147 1.00 0.00 C ATOM 937 CG ASN A 61 -12.201 -4.029 -13.672 1.00 0.00 C ATOM 938 OD1 ASN A 61 -12.058 -4.557 -12.581 1.00 0.00 O ATOM 939 ND2 ASN A 61 -13.139 -4.377 -14.548 1.00 0.00 N ATOM 0 H ASN A 61 -10.820 -0.419 -12.909 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.244 -3.255 -12.305 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.906 -2.043 -14.460 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.727 -3.214 -15.019 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.793 -5.127 -14.324 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.204 -3.894 -15.444 1.00 0.00 H new ATOM 946 N ALA A 62 -8.334 -1.117 -13.136 1.00 0.00 N ATOM 947 CA ALA A 62 -7.037 -0.702 -13.644 1.00 0.00 C ATOM 948 C ALA A 62 -5.979 -1.726 -13.229 1.00 0.00 C ATOM 949 O ALA A 62 -6.107 -2.368 -12.188 1.00 0.00 O ATOM 950 CB ALA A 62 -6.718 0.706 -13.137 1.00 0.00 C ATOM 0 H ALA A 62 -8.679 -0.569 -12.348 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.046 -0.662 -14.733 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.745 1.018 -13.517 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.483 1.400 -13.485 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.698 0.704 -12.047 1.00 0.00 H new ATOM 956 N PRO A 63 -4.931 -1.849 -14.087 1.00 0.00 N ATOM 957 CA PRO A 63 -3.852 -2.784 -13.820 1.00 0.00 C ATOM 958 C PRO A 63 -2.931 -2.258 -12.717 1.00 0.00 C ATOM 959 O PRO A 63 -2.728 -1.051 -12.596 1.00 0.00 O ATOM 960 CB PRO A 63 -3.142 -2.957 -15.153 1.00 0.00 C ATOM 961 CG PRO A 63 -3.556 -1.767 -16.003 1.00 0.00 C ATOM 962 CD PRO A 63 -4.747 -1.105 -15.330 1.00 0.00 C ATOM 0 HA PRO A 63 -4.210 -3.743 -13.447 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.061 -2.984 -15.019 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.428 -3.895 -15.629 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.731 -1.061 -16.099 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.818 -2.090 -17.010 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.556 -0.050 -15.135 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.636 -1.157 -15.958 1.00 0.00 H new ATOM 970 N TRP A 64 -2.398 -3.190 -11.940 1.00 0.00 N ATOM 971 CA TRP A 64 -1.504 -2.835 -10.851 1.00 0.00 C ATOM 972 C TRP A 64 -0.546 -1.756 -11.358 1.00 0.00 C ATOM 973 O TRP A 64 0.349 -2.039 -12.153 1.00 0.00 O ATOM 974 CB TRP A 64 -0.781 -4.070 -10.311 1.00 0.00 C ATOM 975 CG TRP A 64 -1.717 -5.155 -9.774 1.00 0.00 C ATOM 976 CD1 TRP A 64 -1.872 -6.408 -10.223 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.628 -5.030 -8.661 1.00 0.00 C ATOM 978 NE1 TRP A 64 -2.812 -7.097 -9.484 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.286 -6.233 -8.504 1.00 0.00 C ATOM 980 CE3 TRP A 64 -2.887 -3.938 -7.815 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.246 -6.458 -7.510 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -3.849 -4.179 -6.827 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.521 -5.384 -6.656 1.00 0.00 C ATOM 0 H TRP A 64 -2.568 -4.190 -12.043 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.065 -2.434 -10.007 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.167 -4.495 -11.105 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.104 -3.762 -9.514 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.330 -6.826 -11.058 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.105 -8.063 -9.630 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.384 -2.988 -7.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.747 -7.409 -7.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.086 -3.372 -6.150 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.252 -5.491 -5.868 1.00 0.00 H new ATOM 994 N THR A 65 -0.767 -0.540 -10.879 1.00 0.00 N ATOM 995 CA THR A 65 0.066 0.583 -11.274 1.00 0.00 C ATOM 996 C THR A 65 1.014 0.969 -10.137 1.00 0.00 C ATOM 997 O THR A 65 0.582 1.164 -9.002 1.00 0.00 O ATOM 998 CB THR A 65 -0.855 1.723 -11.711 1.00 0.00 C ATOM 999 OG1 THR A 65 0.039 2.771 -12.076 1.00 0.00 O ATOM 1000 CG2 THR A 65 -1.658 2.307 -10.546 1.00 0.00 C ATOM 0 H THR A 65 -1.511 -0.308 -10.221 1.00 0.00 H new ATOM 0 HA THR A 65 0.708 0.323 -12.116 1.00 0.00 H new ATOM 0 HB THR A 65 -1.540 1.362 -12.479 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.475 3.550 -12.374 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.295 3.112 -10.911 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.277 1.527 -10.103 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.974 2.698 -9.793 1.00 0.00 H new ATOM 1008 N VAL A 66 2.290 1.069 -10.482 1.00 0.00 N ATOM 1009 CA VAL A 66 3.303 1.428 -9.505 1.00 0.00 C ATOM 1010 C VAL A 66 3.076 2.871 -9.049 1.00 0.00 C ATOM 1011 O VAL A 66 3.485 3.812 -9.728 1.00 0.00 O ATOM 1012 CB VAL A 66 4.699 1.199 -10.089 1.00 0.00 C ATOM 1013 CG1 VAL A 66 5.774 1.328 -9.008 1.00 0.00 C ATOM 1014 CG2 VAL A 66 4.783 -0.160 -10.788 1.00 0.00 C ATOM 0 H VAL A 66 2.645 0.908 -11.425 1.00 0.00 H new ATOM 0 HA VAL A 66 3.226 0.791 -8.624 1.00 0.00 H new ATOM 0 HB VAL A 66 4.882 1.972 -10.835 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.756 1.161 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.736 2.328 -8.575 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.596 0.588 -8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.785 -0.299 -11.195 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.570 -0.952 -10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.054 -0.198 -11.598 1.00 0.00 H new ATOM 1024 N LEU A 67 2.426 3.000 -7.902 1.00 0.00 N ATOM 1025 CA LEU A 67 2.140 4.312 -7.347 1.00 0.00 C ATOM 1026 C LEU A 67 3.420 4.898 -6.749 1.00 0.00 C ATOM 1027 O LEU A 67 3.848 5.986 -7.132 1.00 0.00 O ATOM 1028 CB LEU A 67 0.978 4.233 -6.355 1.00 0.00 C ATOM 1029 CG LEU A 67 -0.419 4.450 -6.940 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -1.471 4.532 -5.832 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -0.448 5.679 -7.850 1.00 0.00 C ATOM 0 H LEU A 67 2.089 2.217 -7.342 1.00 0.00 H new ATOM 0 HA LEU A 67 1.813 4.994 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.002 3.254 -5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.142 4.975 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.668 3.587 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.455 4.686 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.472 3.603 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.237 5.365 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.452 5.810 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.169 6.563 -7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.256 5.541 -8.670 1.00 0.00 H new ATOM 1043 N LEU A 68 3.996 4.151 -5.818 1.00 0.00 N ATOM 1044 CA LEU A 68 5.219 4.583 -5.163 1.00 0.00 C ATOM 1045 C LEU A 68 6.310 3.534 -5.385 1.00 0.00 C ATOM 1046 O LEU A 68 6.241 2.435 -4.836 1.00 0.00 O ATOM 1047 CB LEU A 68 4.956 4.893 -3.688 1.00 0.00 C ATOM 1048 CG LEU A 68 5.457 6.250 -3.188 1.00 0.00 C ATOM 1049 CD1 LEU A 68 5.193 6.413 -1.690 1.00 0.00 C ATOM 1050 CD2 LEU A 68 6.934 6.450 -3.534 1.00 0.00 C ATOM 0 H LEU A 68 3.638 3.250 -5.502 1.00 0.00 H new ATOM 0 HA LEU A 68 5.577 5.514 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.882 4.837 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.419 4.112 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 68 4.897 7.032 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.558 7.385 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.122 6.344 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.710 5.626 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.265 7.422 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.527 5.664 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.063 6.407 -4.615 1.00 0.00 H new ATOM 1062 N ALA A 69 7.292 3.909 -6.192 1.00 0.00 N ATOM 1063 CA ALA A 69 8.396 3.014 -6.494 1.00 0.00 C ATOM 1064 C ALA A 69 9.398 3.040 -5.338 1.00 0.00 C ATOM 1065 O ALA A 69 9.665 2.011 -4.720 1.00 0.00 O ATOM 1066 CB ALA A 69 9.031 3.418 -7.826 1.00 0.00 C ATOM 0 H ALA A 69 7.346 4.821 -6.646 1.00 0.00 H new ATOM 0 HA ALA A 69 8.042 1.989 -6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.859 2.747 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.285 3.355 -8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.401 4.441 -7.757 1.00 0.00 H new ATOM 1072 N SER A 70 9.927 4.228 -5.082 1.00 0.00 N ATOM 1073 CA SER A 70 10.894 4.401 -4.012 1.00 0.00 C ATOM 1074 C SER A 70 10.170 4.617 -2.682 1.00 0.00 C ATOM 1075 O SER A 70 9.698 5.718 -2.400 1.00 0.00 O ATOM 1076 CB SER A 70 11.832 5.574 -4.303 1.00 0.00 C ATOM 1077 OG SER A 70 11.399 6.774 -3.668 1.00 0.00 O ATOM 0 H SER A 70 9.704 5.080 -5.597 1.00 0.00 H new ATOM 0 HA SER A 70 11.498 3.496 -3.946 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.838 5.327 -3.963 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.889 5.734 -5.380 1.00 0.00 H new ATOM 0 HG SER A 70 10.423 6.764 -3.581 1.00 0.00 H new ATOM 1083 N VAL A 71 10.105 3.550 -1.900 1.00 0.00 N ATOM 1084 CA VAL A 71 9.446 3.609 -0.606 1.00 0.00 C ATOM 1085 C VAL A 71 10.421 3.149 0.479 1.00 0.00 C ATOM 1086 O VAL A 71 11.280 2.305 0.230 1.00 0.00 O ATOM 1087 CB VAL A 71 8.155 2.789 -0.638 1.00 0.00 C ATOM 1088 CG1 VAL A 71 7.552 2.661 0.762 1.00 0.00 C ATOM 1089 CG2 VAL A 71 7.146 3.391 -1.617 1.00 0.00 C ATOM 0 H VAL A 71 10.498 2.639 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 71 9.158 4.633 -0.370 1.00 0.00 H new ATOM 0 HB VAL A 71 8.404 1.787 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.635 2.074 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.265 2.165 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.326 3.653 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.238 2.788 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.905 4.409 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.575 3.405 -2.619 1.00 0.00 H new ATOM 1099 N ASP A 72 10.255 3.724 1.662 1.00 0.00 N ATOM 1100 CA ASP A 72 11.109 3.382 2.786 1.00 0.00 C ATOM 1101 C ASP A 72 10.806 1.952 3.236 1.00 0.00 C ATOM 1102 O ASP A 72 9.645 1.552 3.305 1.00 0.00 O ATOM 1103 CB ASP A 72 10.856 4.314 3.973 1.00 0.00 C ATOM 1104 CG ASP A 72 11.948 5.358 4.219 1.00 0.00 C ATOM 1105 OD1 ASP A 72 12.931 5.345 3.448 1.00 0.00 O ATOM 1106 OD2 ASP A 72 11.774 6.146 5.174 1.00 0.00 O ATOM 0 H ASP A 72 9.542 4.424 1.866 1.00 0.00 H new ATOM 0 HA ASP A 72 12.146 3.481 2.463 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.909 4.831 3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.743 3.709 4.873 1.00 0.00 H new ATOM 1111 N PRO A 73 11.899 1.200 3.537 1.00 0.00 N ATOM 1112 CA PRO A 73 11.762 -0.177 3.979 1.00 0.00 C ATOM 1113 C PRO A 73 11.274 -0.243 5.427 1.00 0.00 C ATOM 1114 O PRO A 73 10.519 -1.143 5.791 1.00 0.00 O ATOM 1115 CB PRO A 73 13.139 -0.791 3.787 1.00 0.00 C ATOM 1116 CG PRO A 73 14.106 0.378 3.688 1.00 0.00 C ATOM 1117 CD PRO A 73 13.289 1.641 3.467 1.00 0.00 C ATOM 0 HA PRO A 73 11.012 -0.728 3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.397 -1.441 4.623 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.172 -1.403 2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.699 0.461 4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.805 0.227 2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.505 2.391 4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.513 2.093 2.501 1.00 0.00 H new ATOM 1125 N LYS A 74 11.725 0.723 6.214 1.00 0.00 N ATOM 1126 CA LYS A 74 11.343 0.786 7.615 1.00 0.00 C ATOM 1127 C LYS A 74 9.911 1.311 7.726 1.00 0.00 C ATOM 1128 O LYS A 74 9.343 1.350 8.816 1.00 0.00 O ATOM 1129 CB LYS A 74 12.362 1.604 8.411 1.00 0.00 C ATOM 1130 CG LYS A 74 13.581 0.755 8.777 1.00 0.00 C ATOM 1131 CD LYS A 74 13.505 0.284 10.231 1.00 0.00 C ATOM 1132 CE LYS A 74 12.530 -0.886 10.377 1.00 0.00 C ATOM 1133 NZ LYS A 74 12.593 -1.445 11.746 1.00 0.00 N ATOM 0 H LYS A 74 12.351 1.468 5.908 1.00 0.00 H new ATOM 0 HA LYS A 74 11.352 -0.210 8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.678 2.467 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.896 1.988 9.319 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.640 -0.108 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.491 1.335 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.495 -0.018 10.571 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.187 1.109 10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.516 -0.551 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.771 -1.661 9.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.925 -2.238 11.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.557 -1.783 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.341 -0.707 12.434 1.00 0.00 H new ATOM 1147 N ALA A 75 9.368 1.703 6.583 1.00 0.00 N ATOM 1148 CA ALA A 75 8.012 2.224 6.538 1.00 0.00 C ATOM 1149 C ALA A 75 7.034 1.071 6.306 1.00 0.00 C ATOM 1150 O ALA A 75 7.235 0.252 5.410 1.00 0.00 O ATOM 1151 CB ALA A 75 7.914 3.298 5.453 1.00 0.00 C ATOM 0 H ALA A 75 9.842 1.670 5.681 1.00 0.00 H new ATOM 0 HA ALA A 75 7.750 2.693 7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.897 3.689 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.607 4.108 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.168 2.863 4.486 1.00 0.00 H new ATOM 1157 N THR A 76 5.997 1.042 7.130 1.00 0.00 N ATOM 1158 CA THR A 76 4.987 0.003 7.026 1.00 0.00 C ATOM 1159 C THR A 76 3.652 0.599 6.574 1.00 0.00 C ATOM 1160 O THR A 76 2.674 -0.125 6.395 1.00 0.00 O ATOM 1161 CB THR A 76 4.906 -0.714 8.375 1.00 0.00 C ATOM 1162 OG1 THR A 76 5.125 0.319 9.331 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.073 -1.679 8.596 1.00 0.00 C ATOM 0 H THR A 76 5.834 1.722 7.873 1.00 0.00 H new ATOM 0 HA THR A 76 5.253 -0.732 6.266 1.00 0.00 H new ATOM 0 HB THR A 76 3.965 -1.261 8.439 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.087 -0.058 10.235 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.967 -2.161 9.568 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.072 -2.437 7.813 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.012 -1.127 8.565 1.00 0.00 H new ATOM 1171 N SER A 77 3.655 1.913 6.402 1.00 0.00 N ATOM 1172 CA SER A 77 2.457 2.614 5.975 1.00 0.00 C ATOM 1173 C SER A 77 2.817 3.684 4.942 1.00 0.00 C ATOM 1174 O SER A 77 3.959 4.141 4.889 1.00 0.00 O ATOM 1175 CB SER A 77 1.735 3.247 7.165 1.00 0.00 C ATOM 1176 OG SER A 77 2.647 3.761 8.132 1.00 0.00 O ATOM 0 H SER A 77 4.468 2.510 6.551 1.00 0.00 H new ATOM 0 HA SER A 77 1.782 1.890 5.519 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.090 4.052 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.090 2.504 7.634 1.00 0.00 H new ATOM 0 HG SER A 77 2.146 4.158 8.875 1.00 0.00 H new ATOM 1182 N VAL A 78 1.823 4.054 4.148 1.00 0.00 N ATOM 1183 CA VAL A 78 2.022 5.061 3.120 1.00 0.00 C ATOM 1184 C VAL A 78 0.696 5.777 2.852 1.00 0.00 C ATOM 1185 O VAL A 78 -0.374 5.219 3.089 1.00 0.00 O ATOM 1186 CB VAL A 78 2.619 4.420 1.866 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.555 3.645 1.087 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.292 5.470 0.980 1.00 0.00 C ATOM 0 H VAL A 78 0.877 3.674 4.196 1.00 0.00 H new ATOM 0 HA VAL A 78 2.737 5.813 3.455 1.00 0.00 H new ATOM 0 HB VAL A 78 3.384 3.711 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.006 3.199 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.142 2.858 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.757 4.324 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.708 4.987 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.556 6.214 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.092 5.958 1.537 1.00 0.00 H new ATOM 1198 N THR A 79 0.811 7.003 2.362 1.00 0.00 N ATOM 1199 CA THR A 79 -0.365 7.801 2.059 1.00 0.00 C ATOM 1200 C THR A 79 -0.405 8.148 0.569 1.00 0.00 C ATOM 1201 O THR A 79 0.569 8.662 0.022 1.00 0.00 O ATOM 1202 CB THR A 79 -0.348 9.031 2.969 1.00 0.00 C ATOM 1203 OG1 THR A 79 -0.369 8.489 4.286 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.643 9.842 2.880 1.00 0.00 C ATOM 0 H THR A 79 1.700 7.463 2.167 1.00 0.00 H new ATOM 0 HA THR A 79 -1.282 7.245 2.256 1.00 0.00 H new ATOM 0 HB THR A 79 0.498 9.666 2.705 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.358 9.219 4.940 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.579 10.703 3.545 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.788 10.184 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.485 9.217 3.176 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.541 7.852 -0.044 1.00 0.00 N ATOM 1213 CA VAL A 80 -1.721 8.126 -1.460 1.00 0.00 C ATOM 1214 C VAL A 80 -2.535 9.410 -1.627 1.00 0.00 C ATOM 1215 O VAL A 80 -3.748 9.412 -1.420 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.360 6.919 -2.149 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -2.542 7.176 -3.647 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.539 5.650 -1.907 1.00 0.00 C ATOM 0 H VAL A 80 -2.346 7.425 0.414 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.757 8.287 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.347 6.768 -1.712 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.998 6.303 -4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.187 8.043 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.571 7.366 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.016 4.807 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.533 5.786 -2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.483 5.452 -0.837 1.00 0.00 H new ATOM 1228 N LYS A 81 -1.836 10.472 -2.000 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.479 11.760 -2.197 1.00 0.00 C ATOM 1230 C LYS A 81 -2.801 11.942 -3.682 1.00 0.00 C ATOM 1231 O LYS A 81 -1.991 11.602 -4.543 1.00 0.00 O ATOM 1232 CB LYS A 81 -1.619 12.883 -1.612 1.00 0.00 C ATOM 1233 CG LYS A 81 -1.484 12.736 -0.095 1.00 0.00 C ATOM 1234 CD LYS A 81 -0.173 13.351 0.400 1.00 0.00 C ATOM 1235 CE LYS A 81 0.728 12.287 1.029 1.00 0.00 C ATOM 1236 NZ LYS A 81 0.987 12.601 2.452 1.00 0.00 N ATOM 0 H LYS A 81 -0.830 10.467 -2.171 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.425 11.800 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.631 12.867 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.065 13.849 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.327 13.221 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.521 11.681 0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.346 13.827 -0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.386 14.131 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.256 11.308 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.671 12.233 0.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.600 11.868 2.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.457 13.526 2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.086 12.629 2.971 1.00 0.00 H new ATOM 1250 N GLY A 82 -3.986 12.478 -3.936 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.426 12.709 -5.301 1.00 0.00 C ATOM 1252 C GLY A 82 -5.239 11.523 -5.823 1.00 0.00 C ATOM 1253 O GLY A 82 -4.744 10.730 -6.623 1.00 0.00 O ATOM 0 H GLY A 82 -4.655 12.759 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.030 13.615 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.561 12.872 -5.943 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.474 11.439 -5.350 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.360 10.363 -5.760 1.00 0.00 C ATOM 1259 C LEU A 83 -8.702 10.953 -6.200 1.00 0.00 C ATOM 1260 O LEU A 83 -9.009 12.103 -5.890 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.483 9.318 -4.649 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.214 8.524 -4.332 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -6.468 7.506 -3.219 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -5.650 7.866 -5.592 1.00 0.00 C ATOM 0 H LEU A 83 -6.882 12.098 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.946 9.835 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.810 9.821 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.269 8.615 -4.924 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.459 9.219 -3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.550 6.955 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.789 8.026 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.246 6.810 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.749 7.308 -5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.392 7.186 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.407 8.634 -6.326 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.464 10.139 -6.915 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.765 10.566 -7.401 1.00 0.00 C ATOM 1278 C VAL A 84 -11.839 10.169 -6.386 1.00 0.00 C ATOM 1279 O VAL A 84 -11.797 9.073 -5.828 1.00 0.00 O ATOM 1280 CB VAL A 84 -11.018 9.989 -8.795 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -12.465 10.226 -9.232 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -10.036 10.569 -9.815 1.00 0.00 C ATOM 0 H VAL A 84 -9.205 9.186 -7.170 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.798 11.651 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.854 8.912 -8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.618 9.806 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.142 9.744 -8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.667 11.297 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.238 10.142 -10.798 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.154 11.652 -9.859 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.016 10.327 -9.517 1.00 0.00 H new ATOM 1292 N PRO A 85 -12.801 11.106 -6.171 1.00 0.00 N ATOM 1293 CA PRO A 85 -13.884 10.865 -5.233 1.00 0.00 C ATOM 1294 C PRO A 85 -14.912 9.894 -5.819 1.00 0.00 C ATOM 1295 O PRO A 85 -15.070 9.813 -7.036 1.00 0.00 O ATOM 1296 CB PRO A 85 -14.465 12.239 -4.940 1.00 0.00 C ATOM 1297 CG PRO A 85 -13.995 13.139 -6.072 1.00 0.00 C ATOM 1298 CD PRO A 85 -12.883 12.415 -6.813 1.00 0.00 C ATOM 0 HA PRO A 85 -13.545 10.386 -4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.553 12.202 -4.897 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -14.120 12.612 -3.976 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.820 13.365 -6.748 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.636 14.090 -5.679 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -13.110 12.322 -7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.939 12.954 -6.735 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.583 9.183 -4.926 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.591 8.221 -5.339 1.00 0.00 C ATOM 1308 C ALA A 86 -15.962 7.213 -6.303 1.00 0.00 C ATOM 1309 O ALA A 86 -16.460 7.014 -7.410 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.777 8.960 -5.960 1.00 0.00 C ATOM 0 H ALA A 86 -15.449 9.253 -3.917 1.00 0.00 H new ATOM 0 HA ALA A 86 -16.967 7.665 -4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.533 8.239 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.205 9.642 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -17.439 9.527 -6.828 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.877 6.604 -5.848 1.00 0.00 N ATOM 1317 CA ARG A 87 -14.175 5.622 -6.657 1.00 0.00 C ATOM 1318 C ARG A 87 -13.404 4.650 -5.761 1.00 0.00 C ATOM 1319 O ARG A 87 -12.874 5.045 -4.723 1.00 0.00 O ATOM 1320 CB ARG A 87 -13.200 6.298 -7.622 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.914 6.740 -8.902 1.00 0.00 C ATOM 1322 CD ARG A 87 -12.929 6.854 -10.067 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.615 7.401 -11.259 1.00 0.00 N ATOM 1324 CZ ARG A 87 -14.338 6.664 -12.114 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -14.472 5.346 -11.914 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -14.926 7.245 -13.168 1.00 0.00 N ATOM 0 H ARG A 87 -14.467 6.772 -4.929 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.920 5.076 -7.236 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.744 7.162 -7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.393 5.609 -7.871 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.697 6.024 -9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.401 7.701 -8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.097 7.500 -9.788 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.509 5.874 -10.296 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.532 8.401 -11.441 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.024 4.904 -11.111 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.022 4.785 -12.564 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.824 8.248 -13.320 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -15.476 6.684 -13.818 1.00 0.00 H new ATOM 1340 N SER A 88 -13.364 3.399 -6.195 1.00 0.00 N ATOM 1341 CA SER A 88 -12.666 2.369 -5.445 1.00 0.00 C ATOM 1342 C SER A 88 -11.163 2.448 -5.721 1.00 0.00 C ATOM 1343 O SER A 88 -10.748 2.843 -6.810 1.00 0.00 O ATOM 1344 CB SER A 88 -13.197 0.977 -5.796 1.00 0.00 C ATOM 1345 OG SER A 88 -14.531 0.783 -5.334 1.00 0.00 O ATOM 0 H SER A 88 -13.804 3.075 -7.057 1.00 0.00 H new ATOM 0 HA SER A 88 -12.844 2.540 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.164 0.838 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.547 0.220 -5.357 1.00 0.00 H new ATOM 0 HG SER A 88 -15.044 0.294 -6.011 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.388 2.066 -4.717 1.00 0.00 N ATOM 1352 CA TYR A 89 -8.941 2.089 -4.837 1.00 0.00 C ATOM 1353 C TYR A 89 -8.309 0.921 -4.078 1.00 0.00 C ATOM 1354 O TYR A 89 -8.602 0.709 -2.902 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.485 3.403 -4.199 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.563 4.610 -5.137 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.777 4.655 -6.270 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.419 5.653 -4.848 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -7.851 5.791 -7.152 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.493 6.789 -5.730 1.00 0.00 C ATOM 1361 CZ TYR A 89 -8.705 6.802 -6.839 1.00 0.00 C ATOM 1362 OH TYR A 89 -8.774 7.874 -7.672 1.00 0.00 O ATOM 0 H TYR A 89 -10.736 1.738 -3.816 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.642 2.006 -5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.097 3.599 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.457 3.290 -3.854 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.107 3.839 -6.495 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.033 5.617 -3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.242 5.839 -8.042 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.159 7.612 -5.516 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.836 7.564 -8.600 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.452 0.194 -4.780 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.776 -0.947 -4.187 1.00 0.00 C ATOM 1374 C GLN A 90 -5.298 -0.626 -3.953 1.00 0.00 C ATOM 1375 O GLN A 90 -4.781 0.355 -4.486 1.00 0.00 O ATOM 1376 CB GLN A 90 -6.935 -2.193 -5.060 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.238 -2.926 -4.738 1.00 0.00 C ATOM 1378 CD GLN A 90 -8.235 -4.336 -5.332 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -7.523 -4.639 -6.275 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.069 -5.179 -4.729 1.00 0.00 N ATOM 0 H GLN A 90 -7.210 0.373 -5.755 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.239 -1.158 -3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.925 -1.908 -6.112 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.089 -2.862 -4.903 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.370 -2.983 -3.658 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.083 -2.363 -5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.637 -4.860 -3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.140 -6.144 -5.051 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.661 -1.470 -3.155 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.254 -1.288 -2.845 1.00 0.00 C ATOM 1391 C PHE A 91 -2.587 -2.626 -2.519 1.00 0.00 C ATOM 1392 O PHE A 91 -3.194 -3.488 -1.885 1.00 0.00 O ATOM 1393 CB PHE A 91 -3.181 -0.383 -1.613 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.585 1.068 -1.883 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -2.816 1.850 -2.688 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.714 1.575 -1.319 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -3.192 3.196 -2.938 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -5.089 2.922 -1.569 1.00 0.00 C ATOM 1399 CZ PHE A 91 -4.320 3.704 -2.373 1.00 0.00 C ATOM 0 H PHE A 91 -5.094 -2.282 -2.714 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.738 -0.853 -3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.828 -0.791 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.164 -0.400 -1.222 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.920 1.447 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.325 0.954 -0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.582 3.817 -3.577 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.985 3.325 -1.121 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.605 4.728 -2.563 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.347 -2.758 -2.968 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.591 -3.976 -2.732 1.00 0.00 C ATOM 1411 C ARG A 92 0.895 -3.741 -3.008 1.00 0.00 C ATOM 1412 O ARG A 92 1.298 -3.577 -4.159 1.00 0.00 O ATOM 1413 CB ARG A 92 -1.094 -5.117 -3.620 1.00 0.00 C ATOM 1414 CG ARG A 92 -1.267 -4.649 -5.066 1.00 0.00 C ATOM 1415 CD ARG A 92 -1.169 -5.827 -6.039 1.00 0.00 C ATOM 1416 NE ARG A 92 -0.256 -5.488 -7.153 1.00 0.00 N ATOM 1417 CZ ARG A 92 0.368 -6.396 -7.915 1.00 0.00 C ATOM 1418 NH1 ARG A 92 0.182 -7.704 -7.687 1.00 0.00 N ATOM 1419 NH2 ARG A 92 1.179 -5.997 -8.905 1.00 0.00 N ATOM 0 H ARG A 92 -0.847 -2.041 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.730 -4.255 -1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.390 -5.948 -3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.045 -5.488 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.233 -4.158 -5.180 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.503 -3.909 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.806 -6.712 -5.516 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.157 -6.071 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.092 -4.501 -7.353 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.435 -8.008 -6.933 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.657 -8.395 -8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.321 -5.002 -9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.654 -6.689 -9.485 1.00 0.00 H new ATOM 1433 N LEU A 93 1.670 -3.732 -1.933 1.00 0.00 N ATOM 1434 CA LEU A 93 3.103 -3.519 -2.045 1.00 0.00 C ATOM 1435 C LEU A 93 3.834 -4.826 -1.733 1.00 0.00 C ATOM 1436 O LEU A 93 3.310 -5.679 -1.018 1.00 0.00 O ATOM 1437 CB LEU A 93 3.540 -2.345 -1.168 1.00 0.00 C ATOM 1438 CG LEU A 93 3.234 -2.473 0.326 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.284 -1.743 1.166 1.00 0.00 C ATOM 1440 CD2 LEU A 93 1.815 -1.992 0.638 1.00 0.00 C ATOM 0 H LEU A 93 1.332 -3.869 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 93 3.369 -3.241 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.615 -2.208 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.060 -1.440 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 93 3.283 -3.528 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.042 -1.850 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.267 -2.172 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.291 -0.686 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.623 -2.094 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.714 -0.946 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.096 -2.593 0.081 1.00 0.00 H new ATOM 1452 N CYS A 94 5.033 -4.942 -2.284 1.00 0.00 N ATOM 1453 CA CYS A 94 5.842 -6.131 -2.073 1.00 0.00 C ATOM 1454 C CYS A 94 7.140 -5.712 -1.380 1.00 0.00 C ATOM 1455 O CYS A 94 7.383 -4.524 -1.176 1.00 0.00 O ATOM 1456 CB CYS A 94 6.108 -6.874 -3.384 1.00 0.00 C ATOM 1457 SG CYS A 94 6.764 -5.714 -4.638 1.00 0.00 S ATOM 0 H CYS A 94 5.464 -4.232 -2.876 1.00 0.00 H new ATOM 0 HA CYS A 94 5.303 -6.833 -1.437 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.820 -7.682 -3.216 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.187 -7.331 -3.746 1.00 0.00 H new ATOM 0 HG CYS A 94 6.081 -5.832 -5.738 1.00 0.00 H new ATOM 1463 N ALA A 95 7.939 -6.712 -1.037 1.00 0.00 N ATOM 1464 CA ALA A 95 9.206 -6.462 -0.371 1.00 0.00 C ATOM 1465 C ALA A 95 10.345 -6.597 -1.383 1.00 0.00 C ATOM 1466 O ALA A 95 10.482 -7.632 -2.034 1.00 0.00 O ATOM 1467 CB ALA A 95 9.360 -7.422 0.811 1.00 0.00 C ATOM 0 H ALA A 95 7.734 -7.696 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 95 9.237 -5.447 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.310 -7.234 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.543 -7.266 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.337 -8.450 0.450 1.00 0.00 H new ATOM 1473 N VAL A 96 11.132 -5.536 -1.485 1.00 0.00 N ATOM 1474 CA VAL A 96 12.254 -5.523 -2.408 1.00 0.00 C ATOM 1475 C VAL A 96 13.539 -5.214 -1.637 1.00 0.00 C ATOM 1476 O VAL A 96 13.653 -4.162 -1.010 1.00 0.00 O ATOM 1477 CB VAL A 96 11.986 -4.535 -3.544 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.032 -4.676 -4.652 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.572 -4.709 -4.100 1.00 0.00 C ATOM 0 H VAL A 96 11.015 -4.679 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 96 12.380 -6.502 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 96 12.064 -3.527 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.818 -3.962 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.023 -4.478 -4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.001 -5.688 -5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.408 -3.994 -4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.454 -5.722 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.845 -4.534 -3.307 1.00 0.00 H new ATOM 1489 N ASN A 97 14.474 -6.150 -1.708 1.00 0.00 N ATOM 1490 CA ASN A 97 15.747 -5.990 -1.025 1.00 0.00 C ATOM 1491 C ASN A 97 16.887 -6.224 -2.018 1.00 0.00 C ATOM 1492 O ASN A 97 16.646 -6.507 -3.190 1.00 0.00 O ATOM 1493 CB ASN A 97 15.893 -7.005 0.111 1.00 0.00 C ATOM 1494 CG ASN A 97 15.663 -8.431 -0.395 1.00 0.00 C ATOM 1495 OD1 ASN A 97 15.370 -8.665 -1.556 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.813 -9.366 0.538 1.00 0.00 N ATOM 0 H ASN A 97 14.376 -7.022 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 97 15.785 -4.981 -0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.888 -6.926 0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.179 -6.776 0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.682 -10.349 0.300 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.059 -9.100 1.491 1.00 0.00 H new ATOM 1503 N ASP A 98 18.105 -6.096 -1.512 1.00 0.00 N ATOM 1504 CA ASP A 98 19.283 -6.289 -2.340 1.00 0.00 C ATOM 1505 C ASP A 98 19.165 -7.620 -3.085 1.00 0.00 C ATOM 1506 O ASP A 98 19.537 -7.717 -4.253 1.00 0.00 O ATOM 1507 CB ASP A 98 20.553 -6.335 -1.488 1.00 0.00 C ATOM 1508 CG ASP A 98 20.786 -7.652 -0.744 1.00 0.00 C ATOM 1509 OD1 ASP A 98 21.010 -8.665 -1.441 1.00 0.00 O ATOM 1510 OD2 ASP A 98 20.734 -7.615 0.504 1.00 0.00 O ATOM 0 H ASP A 98 18.301 -5.861 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 98 19.346 -5.453 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 98 21.411 -6.142 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.513 -5.526 -0.759 1.00 0.00 H new ATOM 1515 N VAL A 99 18.645 -8.613 -2.378 1.00 0.00 N ATOM 1516 CA VAL A 99 18.473 -9.935 -2.957 1.00 0.00 C ATOM 1517 C VAL A 99 17.553 -9.836 -4.176 1.00 0.00 C ATOM 1518 O VAL A 99 17.789 -10.491 -5.190 1.00 0.00 O ATOM 1519 CB VAL A 99 17.957 -10.908 -1.896 1.00 0.00 C ATOM 1520 CG1 VAL A 99 18.115 -12.358 -2.358 1.00 0.00 C ATOM 1521 CG2 VAL A 99 18.658 -10.681 -0.555 1.00 0.00 C ATOM 0 H VAL A 99 18.337 -8.529 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 99 19.429 -10.329 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 99 16.894 -10.715 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.740 -13.029 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 99 17.549 -12.511 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 99 19.169 -12.569 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.272 -11.386 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 99 19.731 -10.832 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 99 18.471 -9.663 -0.215 1.00 0.00 H new ATOM 1531 N GLY A 100 16.525 -9.013 -4.037 1.00 0.00 N ATOM 1532 CA GLY A 100 15.569 -8.820 -5.114 1.00 0.00 C ATOM 1533 C GLY A 100 14.178 -8.503 -4.562 1.00 0.00 C ATOM 1534 O GLY A 100 14.048 -8.006 -3.445 1.00 0.00 O ATOM 0 H GLY A 100 16.333 -8.472 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.902 -8.007 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.524 -9.718 -5.730 1.00 0.00 H new ATOM 1538 N LYS A 101 13.172 -8.803 -5.371 1.00 0.00 N ATOM 1539 CA LYS A 101 11.796 -8.556 -4.978 1.00 0.00 C ATOM 1540 C LYS A 101 11.079 -9.893 -4.777 1.00 0.00 C ATOM 1541 O LYS A 101 11.292 -10.836 -5.537 1.00 0.00 O ATOM 1542 CB LYS A 101 11.107 -7.636 -5.988 1.00 0.00 C ATOM 1543 CG LYS A 101 9.618 -7.490 -5.670 1.00 0.00 C ATOM 1544 CD LYS A 101 8.811 -7.205 -6.939 1.00 0.00 C ATOM 1545 CE LYS A 101 9.205 -5.858 -7.548 1.00 0.00 C ATOM 1546 NZ LYS A 101 8.540 -5.667 -8.856 1.00 0.00 N ATOM 0 H LYS A 101 13.283 -9.215 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 101 11.762 -8.028 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.583 -6.655 -5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.230 -8.037 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.252 -8.402 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.473 -6.681 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.977 -8.000 -7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.746 -7.205 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.927 -5.051 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.287 -5.811 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.456 -4.650 -9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.104 -6.122 -9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.592 -6.094 -8.829 1.00 0.00 H new ATOM 1560 N GLY A 102 10.245 -9.932 -3.748 1.00 0.00 N ATOM 1561 CA GLY A 102 9.496 -11.138 -3.438 1.00 0.00 C ATOM 1562 C GLY A 102 8.119 -11.116 -4.105 1.00 0.00 C ATOM 1563 O GLY A 102 8.020 -11.120 -5.331 1.00 0.00 O ATOM 0 H GLY A 102 10.072 -9.148 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.053 -12.013 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.379 -11.230 -2.358 1.00 0.00 H new ATOM 1567 N GLN A 103 7.092 -11.092 -3.269 1.00 0.00 N ATOM 1568 CA GLN A 103 5.726 -11.069 -3.762 1.00 0.00 C ATOM 1569 C GLN A 103 4.974 -9.866 -3.188 1.00 0.00 C ATOM 1570 O GLN A 103 5.486 -9.170 -2.313 1.00 0.00 O ATOM 1571 CB GLN A 103 5.002 -12.376 -3.434 1.00 0.00 C ATOM 1572 CG GLN A 103 5.389 -12.882 -2.043 1.00 0.00 C ATOM 1573 CD GLN A 103 4.219 -13.612 -1.380 1.00 0.00 C ATOM 1574 OE1 GLN A 103 3.098 -13.607 -1.861 1.00 0.00 O ATOM 1575 NE2 GLN A 103 4.541 -14.238 -0.252 1.00 0.00 N ATOM 0 H GLN A 103 7.179 -11.088 -2.253 1.00 0.00 H new ATOM 0 HA GLN A 103 5.754 -10.971 -4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.924 -12.221 -3.482 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.249 -13.130 -4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.244 -13.554 -2.121 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.699 -12.043 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.499 -14.202 0.096 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.830 -14.754 0.266 1.00 0.00 H new ATOM 1584 N PHE A 104 3.771 -9.660 -3.703 1.00 0.00 N ATOM 1585 CA PHE A 104 2.943 -8.554 -3.252 1.00 0.00 C ATOM 1586 C PHE A 104 1.814 -9.048 -2.346 1.00 0.00 C ATOM 1587 O PHE A 104 1.334 -10.170 -2.502 1.00 0.00 O ATOM 1588 CB PHE A 104 2.336 -7.912 -4.501 1.00 0.00 C ATOM 1589 CG PHE A 104 3.365 -7.271 -5.434 1.00 0.00 C ATOM 1590 CD1 PHE A 104 4.310 -8.041 -6.036 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.334 -5.930 -5.662 1.00 0.00 C ATOM 1592 CE1 PHE A 104 5.265 -7.447 -6.903 1.00 0.00 C ATOM 1593 CE2 PHE A 104 4.289 -5.335 -6.528 1.00 0.00 C ATOM 1594 CZ PHE A 104 5.234 -6.106 -7.130 1.00 0.00 C ATOM 0 H PHE A 104 3.350 -10.240 -4.428 1.00 0.00 H new ATOM 0 HA PHE A 104 3.545 -7.846 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.782 -8.671 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.617 -7.153 -4.194 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.334 -9.105 -5.855 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.583 -5.318 -5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.015 -8.059 -7.382 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.265 -4.270 -6.709 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.960 -5.653 -7.789 1.00 0.00 H new ATOM 1604 N SER A 105 1.421 -8.186 -1.420 1.00 0.00 N ATOM 1605 CA SER A 105 0.357 -8.521 -0.489 1.00 0.00 C ATOM 1606 C SER A 105 -0.978 -8.611 -1.231 1.00 0.00 C ATOM 1607 O SER A 105 -1.126 -8.056 -2.318 1.00 0.00 O ATOM 1608 CB SER A 105 0.269 -7.491 0.640 1.00 0.00 C ATOM 1609 OG SER A 105 0.545 -6.171 0.181 1.00 0.00 O ATOM 0 H SER A 105 1.820 -7.256 -1.294 1.00 0.00 H new ATOM 0 HA SER A 105 0.584 -9.490 -0.044 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.727 -7.521 1.081 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.974 -7.756 1.428 1.00 0.00 H new ATOM 0 HG SER A 105 0.178 -5.521 0.816 1.00 0.00 H new ATOM 1615 N LYS A 106 -1.915 -9.314 -0.613 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.233 -9.484 -1.201 1.00 0.00 C ATOM 1617 C LYS A 106 -3.883 -8.113 -1.390 1.00 0.00 C ATOM 1618 O LYS A 106 -3.501 -7.145 -0.734 1.00 0.00 O ATOM 1619 CB LYS A 106 -4.072 -10.453 -0.365 1.00 0.00 C ATOM 1620 CG LYS A 106 -3.777 -11.905 -0.746 1.00 0.00 C ATOM 1621 CD LYS A 106 -4.155 -12.177 -2.204 1.00 0.00 C ATOM 1622 CE LYS A 106 -5.118 -13.362 -2.308 1.00 0.00 C ATOM 1623 NZ LYS A 106 -5.402 -13.675 -3.726 1.00 0.00 N ATOM 0 H LYS A 106 -1.788 -9.773 0.289 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.154 -9.938 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.862 -10.301 0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.131 -10.243 -0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.718 -12.116 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.332 -12.577 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.617 -11.289 -2.636 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -3.256 -12.382 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.686 -14.234 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.047 -13.130 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.057 -14.481 -3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.834 -12.847 -4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -4.515 -13.917 -4.213 1.00 0.00 H new ATOM 1637 N ASP A 107 -4.854 -8.072 -2.291 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.561 -6.835 -2.574 1.00 0.00 C ATOM 1639 C ASP A 107 -6.269 -6.355 -1.306 1.00 0.00 C ATOM 1640 O ASP A 107 -7.217 -6.988 -0.842 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.621 -7.042 -3.658 1.00 0.00 C ATOM 1642 CG ASP A 107 -7.504 -8.278 -3.471 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -7.392 -8.897 -2.391 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -8.271 -8.575 -4.412 1.00 0.00 O ATOM 0 H ASP A 107 -5.168 -8.876 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.832 -6.101 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.260 -6.160 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.122 -7.113 -4.624 1.00 0.00 H new ATOM 1649 N THR A 108 -5.782 -5.240 -0.781 1.00 0.00 N ATOM 1650 CA THR A 108 -6.357 -4.668 0.425 1.00 0.00 C ATOM 1651 C THR A 108 -7.875 -4.543 0.285 1.00 0.00 C ATOM 1652 O THR A 108 -8.436 -4.884 -0.755 1.00 0.00 O ATOM 1653 CB THR A 108 -5.659 -3.333 0.693 1.00 0.00 C ATOM 1654 OG1 THR A 108 -5.770 -2.629 -0.541 1.00 0.00 O ATOM 1655 CG2 THR A 108 -4.151 -3.491 0.898 1.00 0.00 C ATOM 0 H THR A 108 -4.996 -4.718 -1.168 1.00 0.00 H new ATOM 0 HA THR A 108 -6.195 -5.315 1.287 1.00 0.00 H new ATOM 0 HB THR A 108 -6.098 -2.865 1.574 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.806 -1.665 -0.366 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.705 -2.514 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.966 -4.143 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.706 -3.928 0.004 1.00 0.00 H new ATOM 1663 N GLU A 109 -8.497 -4.052 1.347 1.00 0.00 N ATOM 1664 CA GLU A 109 -9.939 -3.877 1.356 1.00 0.00 C ATOM 1665 C GLU A 109 -10.339 -2.715 0.443 1.00 0.00 C ATOM 1666 O GLU A 109 -9.908 -1.582 0.651 1.00 0.00 O ATOM 1667 CB GLU A 109 -10.457 -3.659 2.779 1.00 0.00 C ATOM 1668 CG GLU A 109 -11.598 -2.641 2.797 1.00 0.00 C ATOM 1669 CD GLU A 109 -12.380 -2.718 4.110 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -11.912 -2.094 5.087 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -13.429 -3.399 4.107 1.00 0.00 O ATOM 0 H GLU A 109 -8.028 -3.770 2.208 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.398 -4.789 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.803 -4.606 3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.644 -3.311 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.196 -1.636 2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.269 -2.826 1.958 1.00 0.00 H new ATOM 1678 N ARG A 110 -11.157 -3.037 -0.547 1.00 0.00 N ATOM 1679 CA ARG A 110 -11.620 -2.035 -1.492 1.00 0.00 C ATOM 1680 C ARG A 110 -11.837 -0.697 -0.782 1.00 0.00 C ATOM 1681 O ARG A 110 -12.842 -0.509 -0.098 1.00 0.00 O ATOM 1682 CB ARG A 110 -12.927 -2.468 -2.159 1.00 0.00 C ATOM 1683 CG ARG A 110 -12.913 -2.142 -3.654 1.00 0.00 C ATOM 1684 CD ARG A 110 -14.320 -2.234 -4.248 1.00 0.00 C ATOM 1685 NE ARG A 110 -14.526 -3.567 -4.858 1.00 0.00 N ATOM 1686 CZ ARG A 110 -14.134 -3.895 -6.096 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -13.513 -2.989 -6.864 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -14.362 -5.129 -6.566 1.00 0.00 N ATOM 0 H ARG A 110 -11.512 -3.978 -0.716 1.00 0.00 H new ATOM 0 HA ARG A 110 -10.854 -1.924 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -13.074 -3.539 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.768 -1.965 -1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.514 -1.139 -3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.249 -2.832 -4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -15.064 -2.062 -3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -14.458 -1.456 -4.999 1.00 0.00 H new ATOM 0 HE ARG A 110 -14.996 -4.280 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -13.339 -2.050 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -13.214 -3.239 -7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -14.834 -5.818 -5.981 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -14.064 -5.379 -7.509 1.00 0.00 H new ATOM 1702 N VAL A 111 -10.879 0.198 -0.970 1.00 0.00 N ATOM 1703 CA VAL A 111 -10.952 1.513 -0.356 1.00 0.00 C ATOM 1704 C VAL A 111 -11.708 2.464 -1.287 1.00 0.00 C ATOM 1705 O VAL A 111 -11.180 2.881 -2.316 1.00 0.00 O ATOM 1706 CB VAL A 111 -9.547 2.008 -0.008 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -9.608 3.297 0.814 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -8.751 0.927 0.725 1.00 0.00 C ATOM 0 H VAL A 111 -10.048 0.039 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.506 1.466 0.582 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.029 2.230 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -8.596 3.628 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.119 4.070 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.153 3.113 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.756 1.305 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.265 0.659 1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.663 0.046 0.089 1.00 0.00 H new ATOM 1718 N SER A 112 -12.932 2.780 -0.891 1.00 0.00 N ATOM 1719 CA SER A 112 -13.766 3.674 -1.676 1.00 0.00 C ATOM 1720 C SER A 112 -13.631 5.107 -1.157 1.00 0.00 C ATOM 1721 O SER A 112 -13.597 5.332 0.051 1.00 0.00 O ATOM 1722 CB SER A 112 -15.230 3.233 -1.643 1.00 0.00 C ATOM 1723 OG SER A 112 -16.116 4.298 -1.979 1.00 0.00 O ATOM 0 H SER A 112 -13.367 2.433 -0.036 1.00 0.00 H new ATOM 0 HA SER A 112 -13.427 3.636 -2.711 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.376 2.407 -2.339 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.474 2.859 -0.649 1.00 0.00 H new ATOM 0 HG SER A 112 -17.041 3.976 -1.948 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.557 6.038 -2.097 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.426 7.443 -1.749 1.00 0.00 C ATOM 1731 C LEU A 113 -14.815 8.085 -1.707 1.00 0.00 C ATOM 1732 O LEU A 113 -15.668 7.782 -2.539 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.454 8.142 -2.702 1.00 0.00 C ATOM 1734 CG LEU A 113 -11.296 8.896 -2.044 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -9.973 8.155 -2.250 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -11.229 10.340 -2.543 1.00 0.00 C ATOM 0 H LEU A 113 -13.585 5.847 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.994 7.551 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -12.038 7.395 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -13.019 8.845 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.479 8.935 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.166 8.711 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -10.040 7.161 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.769 8.064 -3.317 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -10.398 10.854 -2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -11.081 10.345 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -12.161 10.852 -2.302 1.00 0.00 H new ATOM 1748 N PRO A 114 -15.003 8.982 -0.703 1.00 0.00 N ATOM 1749 CA PRO A 114 -16.273 9.669 -0.541 1.00 0.00 C ATOM 1750 C PRO A 114 -16.443 10.763 -1.597 1.00 0.00 C ATOM 1751 O PRO A 114 -15.488 11.464 -1.929 1.00 0.00 O ATOM 1752 CB PRO A 114 -16.248 10.213 0.878 1.00 0.00 C ATOM 1753 CG PRO A 114 -14.787 10.213 1.299 1.00 0.00 C ATOM 1754 CD PRO A 114 -14.015 9.366 0.302 1.00 0.00 C ATOM 0 HA PRO A 114 -17.129 9.010 -0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.666 11.219 0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -16.847 9.592 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -14.396 11.230 1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -14.680 9.810 2.306 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -13.195 9.929 -0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -13.577 8.490 0.782 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.665 10.875 -2.096 1.00 0.00 N ATOM 1763 CA GLU A 115 -17.973 11.871 -3.107 1.00 0.00 C ATOM 1764 C GLU A 115 -17.927 13.275 -2.501 1.00 0.00 C ATOM 1765 O GLU A 115 -18.862 13.692 -1.820 1.00 0.00 O ATOM 1766 CB GLU A 115 -19.333 11.597 -3.751 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.305 11.915 -5.248 1.00 0.00 C ATOM 1768 CD GLU A 115 -20.362 11.104 -6.001 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -20.582 9.943 -5.594 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -20.926 11.664 -6.965 1.00 0.00 O ATOM 0 H GLU A 115 -18.454 10.291 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.218 11.809 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.606 10.552 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.099 12.199 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.482 12.980 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.317 11.695 -5.652 1.00 0.00 H new