USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=22 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 58 SER OG : rot 96:sc= 0.733 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.88! K(o=-1.1!,f=-1.7) USER MOD Set 2.1: A 37 ASN : amide:sc= 0.338 K(o=0.88,f=-3.1) USER MOD Set 2.2: A 79 THR OG1 : rot -86:sc= 0.543 USER MOD Single : A 16 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.13) USER MOD Single : A 19 HIS : no HD1:sc= -0.835 K(o=-0.84,f=-1.8!) USER MOD Single : A 23 HIS : no HD1:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 29 SER OG : rot -140:sc= -0.19 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 39 THR OG1 : rot 6:sc= 1.33 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 150:sc= -0.279 (180deg=-1.61!) USER MOD Single : A 47 ASN : amide:sc= -2.72! K(o=-2.7!,f=-1.9) USER MOD Single : A 48 SER OG : rot 140:sc= -1.32 USER MOD Single : A 53 TYR OH : rot -80:sc= -0.0459 USER MOD Single : A 57 MET CE :methyl 161:sc=-0.00993 (180deg=-0.207) USER MOD Single : A 60 ASN : amide:sc= -1.63 K(o=-1.6,f=-0.13) USER MOD Single : A 61 ASN : amide:sc=-0.00044 X(o=-0.00044,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0028 USER MOD Single : A 77 SER OG : 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 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 39:sc= 1.29 USER MOD Single : A 94 CYS SG : rot -119:sc= -2.28! USER MOD Single : A 97 ASN : amide:sc= -7.65! C(o=-7.7!,f=-18!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.219 K(o=-0.22,f=-2.1!) USER MOD Single : A 105 SER OG : rot 160:sc= -1.12 USER MOD Single : A 106 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.253) USER MOD Single : A 108 THR OG1 : rot -99:sc= 0.339 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 211 N GLN A 16 17.544 -14.733 -0.274 1.00 0.00 N ATOM 212 CA GLN A 16 16.168 -15.134 -0.512 1.00 0.00 C ATOM 213 C GLN A 16 15.235 -13.928 -0.387 1.00 0.00 C ATOM 214 O GLN A 16 15.405 -13.097 0.505 1.00 0.00 O ATOM 215 CB GLN A 16 15.749 -16.253 0.443 1.00 0.00 C ATOM 216 CG GLN A 16 14.399 -16.846 0.035 1.00 0.00 C ATOM 217 CD GLN A 16 14.547 -17.756 -1.187 1.00 0.00 C ATOM 218 OE1 GLN A 16 13.868 -17.606 -2.190 1.00 0.00 O ATOM 219 NE2 GLN A 16 15.469 -18.704 -1.047 1.00 0.00 N ATOM 0 HA GLN A 16 16.094 -15.523 -1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 16 16.508 -17.036 0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 16 15.687 -15.864 1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.980 -17.413 0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.697 -16.042 -0.188 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.002 -18.773 -0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.643 -19.362 -1.807 1.00 0.00 H new ATOM 228 N LEU A 17 14.269 -13.870 -1.292 1.00 0.00 N ATOM 229 CA LEU A 17 13.309 -12.780 -1.293 1.00 0.00 C ATOM 230 C LEU A 17 12.605 -12.723 0.064 1.00 0.00 C ATOM 231 O LEU A 17 12.413 -13.752 0.711 1.00 0.00 O ATOM 232 CB LEU A 17 12.350 -12.912 -2.478 1.00 0.00 C ATOM 233 CG LEU A 17 12.993 -12.901 -3.866 1.00 0.00 C ATOM 234 CD1 LEU A 17 14.334 -12.165 -3.843 1.00 0.00 C ATOM 235 CD2 LEU A 17 13.127 -14.321 -4.420 1.00 0.00 C ATOM 0 H LEU A 17 14.131 -14.561 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 17 13.818 -11.825 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.791 -13.841 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.628 -12.097 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 17 12.337 -12.353 -4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.770 -12.172 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.178 -11.135 -3.522 1.00 0.00 H new ATOM 0 HD13 LEU A 17 15.011 -12.663 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.587 -14.284 -5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.750 -14.915 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.140 -14.776 -4.496 1.00 0.00 H new ATOM 247 N PRO A 18 12.231 -11.479 0.466 1.00 0.00 N ATOM 248 CA PRO A 18 11.553 -11.275 1.735 1.00 0.00 C ATOM 249 C PRO A 18 10.093 -11.727 1.656 1.00 0.00 C ATOM 250 O PRO A 18 9.664 -12.275 0.642 1.00 0.00 O ATOM 251 CB PRO A 18 11.700 -9.790 2.026 1.00 0.00 C ATOM 252 CG PRO A 18 12.046 -9.138 0.697 1.00 0.00 C ATOM 253 CD PRO A 18 12.442 -10.238 -0.274 1.00 0.00 C ATOM 0 HA PRO A 18 11.982 -11.870 2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.777 -9.379 2.434 1.00 0.00 H new ATOM 0 HB3 PRO A 18 12.482 -9.612 2.764 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.193 -8.579 0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 18 12.863 -8.427 0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.833 -10.207 -1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 18 13.481 -10.135 -0.587 1.00 0.00 H new ATOM 261 N HIS A 19 9.371 -11.479 2.738 1.00 0.00 N ATOM 262 CA HIS A 19 7.968 -11.853 2.804 1.00 0.00 C ATOM 263 C HIS A 19 7.097 -10.637 2.484 1.00 0.00 C ATOM 264 O HIS A 19 7.465 -9.506 2.796 1.00 0.00 O ATOM 265 CB HIS A 19 7.636 -12.480 4.159 1.00 0.00 C ATOM 266 CG HIS A 19 8.228 -13.854 4.362 1.00 0.00 C ATOM 267 ND1 HIS A 19 8.309 -14.460 5.604 1.00 0.00 N ATOM 268 CD2 HIS A 19 8.766 -14.734 3.469 1.00 0.00 C ATOM 269 CE1 HIS A 19 8.873 -15.650 5.453 1.00 0.00 C ATOM 270 NE2 HIS A 19 9.156 -15.817 4.129 1.00 0.00 N ATOM 0 H HIS A 19 9.731 -11.023 3.577 1.00 0.00 H new ATOM 0 HA HIS A 19 7.756 -12.616 2.055 1.00 0.00 H new ATOM 0 HB2 HIS A 19 7.994 -11.821 4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.553 -12.543 4.263 1.00 0.00 H new ATOM 0 HD2 HIS A 19 8.859 -14.576 2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 19 9.073 -16.362 6.240 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.595 -16.639 3.715 1.00 0.00 H new ATOM 278 N ALA A 20 5.958 -10.911 1.865 1.00 0.00 N ATOM 279 CA ALA A 20 5.031 -9.854 1.499 1.00 0.00 C ATOM 280 C ALA A 20 4.503 -9.183 2.769 1.00 0.00 C ATOM 281 O ALA A 20 4.634 -9.728 3.864 1.00 0.00 O ATOM 282 CB ALA A 20 3.910 -10.434 0.636 1.00 0.00 C ATOM 0 H ALA A 20 5.656 -11.851 1.608 1.00 0.00 H new ATOM 0 HA ALA A 20 5.534 -9.089 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.215 -9.641 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.335 -10.872 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.380 -11.203 1.197 1.00 0.00 H new ATOM 288 N PRO A 21 3.900 -7.980 2.575 1.00 0.00 N ATOM 289 CA PRO A 21 3.351 -7.229 3.691 1.00 0.00 C ATOM 290 C PRO A 21 2.037 -7.848 4.174 1.00 0.00 C ATOM 291 O PRO A 21 1.079 -7.955 3.410 1.00 0.00 O ATOM 292 CB PRO A 21 3.183 -5.812 3.168 1.00 0.00 C ATOM 293 CG PRO A 21 3.204 -5.922 1.652 1.00 0.00 C ATOM 294 CD PRO A 21 3.726 -7.304 1.292 1.00 0.00 C ATOM 0 HA PRO A 21 4.000 -7.241 4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.246 -5.376 3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.986 -5.167 3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.204 -5.774 1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.841 -5.149 1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.022 -7.839 0.654 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.667 -7.242 0.746 1.00 0.00 H new ATOM 302 N GLU A 22 2.035 -8.238 5.440 1.00 0.00 N ATOM 303 CA GLU A 22 0.855 -8.843 6.035 1.00 0.00 C ATOM 304 C GLU A 22 -0.076 -7.762 6.585 1.00 0.00 C ATOM 305 O GLU A 22 0.257 -6.578 6.558 1.00 0.00 O ATOM 306 CB GLU A 22 1.242 -9.841 7.128 1.00 0.00 C ATOM 307 CG GLU A 22 1.214 -11.276 6.596 1.00 0.00 C ATOM 308 CD GLU A 22 1.041 -12.280 7.737 1.00 0.00 C ATOM 309 OE1 GLU A 22 2.073 -12.621 8.355 1.00 0.00 O ATOM 310 OE2 GLU A 22 -0.119 -12.685 7.966 1.00 0.00 O ATOM 0 H GLU A 22 2.832 -8.147 6.070 1.00 0.00 H new ATOM 0 HA GLU A 22 0.323 -9.393 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.239 -9.608 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.556 -9.748 7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.398 -11.387 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.139 -11.487 6.059 1.00 0.00 H new ATOM 317 N HIS A 23 -1.226 -8.206 7.071 1.00 0.00 N ATOM 318 CA HIS A 23 -2.208 -7.291 7.626 1.00 0.00 C ATOM 319 C HIS A 23 -2.249 -6.012 6.788 1.00 0.00 C ATOM 320 O HIS A 23 -2.128 -4.911 7.322 1.00 0.00 O ATOM 321 CB HIS A 23 -1.924 -7.021 9.105 1.00 0.00 C ATOM 322 CG HIS A 23 -3.069 -7.374 10.024 1.00 0.00 C ATOM 323 ND1 HIS A 23 -4.300 -6.744 9.964 1.00 0.00 N ATOM 324 CD2 HIS A 23 -3.158 -8.297 11.025 1.00 0.00 C ATOM 325 CE1 HIS A 23 -5.086 -7.271 10.892 1.00 0.00 C ATOM 326 NE2 HIS A 23 -4.376 -8.233 11.548 1.00 0.00 N ATOM 0 H HIS A 23 -1.499 -9.188 7.092 1.00 0.00 H new ATOM 0 HA HIS A 23 -3.198 -7.745 7.582 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -1.043 -7.588 9.405 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.682 -5.966 9.231 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.371 -8.966 11.339 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.109 -6.988 11.093 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.724 -8.809 12.315 1.00 0.00 H new ATOM 334 N PRO A 24 -2.424 -6.205 5.453 1.00 0.00 N ATOM 335 CA PRO A 24 -2.482 -5.080 4.535 1.00 0.00 C ATOM 336 C PRO A 24 -3.825 -4.354 4.642 1.00 0.00 C ATOM 337 O PRO A 24 -4.700 -4.533 3.795 1.00 0.00 O ATOM 338 CB PRO A 24 -2.239 -5.680 3.160 1.00 0.00 C ATOM 339 CG PRO A 24 -2.515 -7.168 3.301 1.00 0.00 C ATOM 340 CD PRO A 24 -2.570 -7.494 4.784 1.00 0.00 C ATOM 0 HA PRO A 24 -1.737 -4.316 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.896 -5.230 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.215 -5.502 2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.457 -7.429 2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.734 -7.749 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.512 -7.973 5.049 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.772 -8.180 5.068 1.00 0.00 H new ATOM 348 N VAL A 25 -3.947 -3.552 5.689 1.00 0.00 N ATOM 349 CA VAL A 25 -5.169 -2.799 5.917 1.00 0.00 C ATOM 350 C VAL A 25 -4.996 -1.379 5.375 1.00 0.00 C ATOM 351 O VAL A 25 -4.025 -0.699 5.704 1.00 0.00 O ATOM 352 CB VAL A 25 -5.534 -2.832 7.402 1.00 0.00 C ATOM 353 CG1 VAL A 25 -7.033 -2.597 7.603 1.00 0.00 C ATOM 354 CG2 VAL A 25 -5.094 -4.148 8.046 1.00 0.00 C ATOM 0 H VAL A 25 -3.220 -3.407 6.389 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.003 -3.252 5.381 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.998 -2.022 7.897 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.266 -2.625 8.667 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.306 -1.623 7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.596 -3.375 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.366 -4.145 9.102 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.589 -4.981 7.546 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.014 -4.257 7.950 1.00 0.00 H new ATOM 364 N ALA A 26 -5.953 -0.973 4.554 1.00 0.00 N ATOM 365 CA ALA A 26 -5.919 0.355 3.963 1.00 0.00 C ATOM 366 C ALA A 26 -7.109 1.167 4.477 1.00 0.00 C ATOM 367 O ALA A 26 -8.260 0.771 4.297 1.00 0.00 O ATOM 368 CB ALA A 26 -5.909 0.235 2.438 1.00 0.00 C ATOM 0 H ALA A 26 -6.757 -1.540 4.284 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.010 0.882 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.884 1.231 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.029 -0.325 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.808 -0.286 2.108 1.00 0.00 H new ATOM 374 N THR A 27 -6.791 2.289 5.106 1.00 0.00 N ATOM 375 CA THR A 27 -7.820 3.161 5.647 1.00 0.00 C ATOM 376 C THR A 27 -7.774 4.529 4.963 1.00 0.00 C ATOM 377 O THR A 27 -6.709 4.984 4.548 1.00 0.00 O ATOM 378 CB THR A 27 -7.629 3.233 7.163 1.00 0.00 C ATOM 379 OG1 THR A 27 -6.242 2.969 7.352 1.00 0.00 O ATOM 380 CG2 THR A 27 -8.330 2.088 7.896 1.00 0.00 C ATOM 0 H THR A 27 -5.836 2.614 5.253 1.00 0.00 H new ATOM 0 HA THR A 27 -8.817 2.767 5.449 1.00 0.00 H new ATOM 0 HB THR A 27 -8.008 4.186 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.031 2.998 8.309 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.163 2.186 8.969 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.400 2.125 7.690 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.927 1.135 7.552 1.00 0.00 H new ATOM 388 N LEU A 28 -8.942 5.146 4.866 1.00 0.00 N ATOM 389 CA LEU A 28 -9.048 6.453 4.239 1.00 0.00 C ATOM 390 C LEU A 28 -8.308 7.485 5.093 1.00 0.00 C ATOM 391 O LEU A 28 -7.777 7.154 6.152 1.00 0.00 O ATOM 392 CB LEU A 28 -10.514 6.806 3.981 1.00 0.00 C ATOM 393 CG LEU A 28 -10.982 6.711 2.528 1.00 0.00 C ATOM 394 CD1 LEU A 28 -12.489 6.950 2.419 1.00 0.00 C ATOM 395 CD2 LEU A 28 -10.184 7.661 1.632 1.00 0.00 C ATOM 0 H LEU A 28 -9.823 4.766 5.211 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.569 6.446 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.137 6.148 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.689 7.823 4.332 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.792 5.698 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.794 6.877 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.020 6.200 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.728 7.944 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.536 7.574 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.320 8.686 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.127 7.401 1.676 1.00 0.00 H new ATOM 407 N SER A 29 -8.297 8.715 4.600 1.00 0.00 N ATOM 408 CA SER A 29 -7.631 9.797 5.305 1.00 0.00 C ATOM 409 C SER A 29 -8.668 10.774 5.863 1.00 0.00 C ATOM 410 O SER A 29 -9.177 11.626 5.137 1.00 0.00 O ATOM 411 CB SER A 29 -6.651 10.531 4.387 1.00 0.00 C ATOM 412 OG SER A 29 -5.459 9.780 4.170 1.00 0.00 O ATOM 0 H SER A 29 -8.738 8.986 3.721 1.00 0.00 H new ATOM 0 HA SER A 29 -7.063 9.369 6.131 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.132 10.732 3.430 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.397 11.496 4.825 1.00 0.00 H new ATOM 0 HG SER A 29 -4.687 10.383 4.177 1.00 0.00 H new ATOM 418 N THR A 30 -8.949 10.618 7.149 1.00 0.00 N ATOM 419 CA THR A 30 -9.915 11.475 7.813 1.00 0.00 C ATOM 420 C THR A 30 -9.317 12.862 8.059 1.00 0.00 C ATOM 421 O THR A 30 -10.012 13.770 8.512 1.00 0.00 O ATOM 422 CB THR A 30 -10.368 10.773 9.094 1.00 0.00 C ATOM 423 OG1 THR A 30 -9.171 10.627 9.853 1.00 0.00 O ATOM 424 CG2 THR A 30 -10.828 9.336 8.843 1.00 0.00 C ATOM 0 H THR A 30 -8.524 9.910 7.748 1.00 0.00 H new ATOM 0 HA THR A 30 -10.793 11.640 7.188 1.00 0.00 H new ATOM 0 HB THR A 30 -11.180 11.340 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.374 10.182 10.702 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.139 8.884 9.785 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.667 9.339 8.147 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.006 8.760 8.418 1.00 0.00 H new ATOM 432 N VAL A 31 -8.034 12.982 7.750 1.00 0.00 N ATOM 433 CA VAL A 31 -7.335 14.242 7.931 1.00 0.00 C ATOM 434 C VAL A 31 -7.038 14.858 6.563 1.00 0.00 C ATOM 435 O VAL A 31 -7.349 16.023 6.322 1.00 0.00 O ATOM 436 CB VAL A 31 -6.077 14.026 8.775 1.00 0.00 C ATOM 437 CG1 VAL A 31 -6.423 13.386 10.121 1.00 0.00 C ATOM 438 CG2 VAL A 31 -5.047 13.186 8.018 1.00 0.00 C ATOM 0 H VAL A 31 -7.460 12.226 7.375 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.959 14.949 8.477 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.634 15.002 8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.511 13.243 10.701 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.104 14.037 10.669 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.901 12.421 9.953 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.163 13.047 8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.477 12.214 7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.766 13.697 7.097 1.00 0.00 H new ATOM 448 N GLU A 32 -6.440 14.047 5.702 1.00 0.00 N ATOM 449 CA GLU A 32 -6.098 14.498 4.364 1.00 0.00 C ATOM 450 C GLU A 32 -7.183 14.080 3.369 1.00 0.00 C ATOM 451 O GLU A 32 -7.504 12.898 3.255 1.00 0.00 O ATOM 452 CB GLU A 32 -4.729 13.963 3.938 1.00 0.00 C ATOM 453 CG GLU A 32 -3.781 15.108 3.576 1.00 0.00 C ATOM 454 CD GLU A 32 -4.284 15.868 2.347 1.00 0.00 C ATOM 455 OE1 GLU A 32 -4.555 15.191 1.332 1.00 0.00 O ATOM 456 OE2 GLU A 32 -4.386 17.110 2.451 1.00 0.00 O ATOM 0 H GLU A 32 -6.184 13.081 5.905 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.040 15.586 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.298 13.371 4.746 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.845 13.298 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.692 15.792 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.784 14.712 3.381 1.00 0.00 H new ATOM 463 N ARG A 33 -7.718 15.074 2.674 1.00 0.00 N ATOM 464 CA ARG A 33 -8.760 14.824 1.693 1.00 0.00 C ATOM 465 C ARG A 33 -8.175 14.130 0.462 1.00 0.00 C ATOM 466 O ARG A 33 -7.078 14.466 0.018 1.00 0.00 O ATOM 467 CB ARG A 33 -9.435 16.128 1.263 1.00 0.00 C ATOM 468 CG ARG A 33 -10.642 16.440 2.150 1.00 0.00 C ATOM 469 CD ARG A 33 -11.779 15.448 1.897 1.00 0.00 C ATOM 470 NE ARG A 33 -12.925 15.755 2.781 1.00 0.00 N ATOM 471 CZ ARG A 33 -14.118 15.149 2.703 1.00 0.00 C ATOM 472 NH1 ARG A 33 -14.328 14.199 1.782 1.00 0.00 N ATOM 473 NH2 ARG A 33 -15.100 15.493 3.547 1.00 0.00 N ATOM 0 H ARG A 33 -7.449 16.053 2.771 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.505 14.178 2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.718 16.947 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.754 16.051 0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.347 16.401 3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.989 17.454 1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.091 15.498 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.432 14.431 2.078 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.799 16.473 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.580 13.937 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.236 13.738 1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.940 16.216 4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.008 15.032 3.488 1.00 0.00 H new ATOM 487 N ARG A 34 -8.933 13.175 -0.056 1.00 0.00 N ATOM 488 CA ARG A 34 -8.503 12.431 -1.228 1.00 0.00 C ATOM 489 C ARG A 34 -7.183 11.711 -0.945 1.00 0.00 C ATOM 490 O ARG A 34 -6.307 11.652 -1.805 1.00 0.00 O ATOM 491 CB ARG A 34 -8.323 13.357 -2.433 1.00 0.00 C ATOM 492 CG ARG A 34 -9.616 14.114 -2.741 1.00 0.00 C ATOM 493 CD ARG A 34 -9.580 14.710 -4.149 1.00 0.00 C ATOM 494 NE ARG A 34 -10.892 15.310 -4.479 1.00 0.00 N ATOM 495 CZ ARG A 34 -11.108 16.114 -5.529 1.00 0.00 C ATOM 496 NH1 ARG A 34 -10.100 16.418 -6.359 1.00 0.00 N ATOM 497 NH2 ARG A 34 -12.332 16.612 -5.751 1.00 0.00 N ATOM 0 H ARG A 34 -9.842 12.899 0.314 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.277 11.700 -1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.520 14.067 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.023 12.773 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.467 13.439 -2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.759 14.909 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.798 15.467 -4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.333 13.935 -4.875 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.681 15.098 -3.869 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.169 16.037 -6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.264 17.030 -7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.099 16.379 -5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.496 17.224 -6.550 1.00 0.00 H new ATOM 511 N ALA A 35 -7.083 11.181 0.266 1.00 0.00 N ATOM 512 CA ALA A 35 -5.885 10.467 0.673 1.00 0.00 C ATOM 513 C ALA A 35 -6.285 9.171 1.382 1.00 0.00 C ATOM 514 O ALA A 35 -7.351 9.096 1.991 1.00 0.00 O ATOM 515 CB ALA A 35 -5.026 11.373 1.556 1.00 0.00 C ATOM 0 H ALA A 35 -7.812 11.232 0.978 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.286 10.196 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.127 10.837 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.744 12.265 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.593 11.663 2.440 1.00 0.00 H new ATOM 521 N ILE A 36 -5.409 8.183 1.279 1.00 0.00 N ATOM 522 CA ILE A 36 -5.657 6.894 1.902 1.00 0.00 C ATOM 523 C ILE A 36 -4.408 6.455 2.670 1.00 0.00 C ATOM 524 O ILE A 36 -3.316 6.400 2.106 1.00 0.00 O ATOM 525 CB ILE A 36 -6.129 5.877 0.861 1.00 0.00 C ATOM 526 CG1 ILE A 36 -7.363 6.388 0.115 1.00 0.00 C ATOM 527 CG2 ILE A 36 -6.372 4.509 1.502 1.00 0.00 C ATOM 528 CD1 ILE A 36 -7.723 5.462 -1.048 1.00 0.00 C ATOM 0 H ILE A 36 -4.526 8.249 0.773 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.467 6.971 2.627 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.337 5.751 0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.205 6.458 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.175 7.394 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.707 3.805 0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.446 4.147 1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.137 4.599 2.274 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.604 5.848 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.888 5.414 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.935 4.463 -0.666 1.00 0.00 H new ATOM 540 N ASN A 37 -4.612 6.153 3.944 1.00 0.00 N ATOM 541 CA ASN A 37 -3.516 5.720 4.794 1.00 0.00 C ATOM 542 C ASN A 37 -3.431 4.192 4.772 1.00 0.00 C ATOM 543 O ASN A 37 -4.345 3.510 5.233 1.00 0.00 O ATOM 544 CB ASN A 37 -3.736 6.160 6.243 1.00 0.00 C ATOM 545 CG ASN A 37 -2.995 7.466 6.538 1.00 0.00 C ATOM 546 OD1 ASN A 37 -1.847 7.654 6.172 1.00 0.00 O ATOM 547 ND2 ASN A 37 -3.714 8.354 7.218 1.00 0.00 N ATOM 0 H ASN A 37 -5.519 6.200 4.408 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.598 6.170 4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.802 6.293 6.429 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.389 5.380 6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.309 9.257 7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.671 8.132 7.494 1.00 0.00 H new ATOM 554 N LEU A 38 -2.327 3.700 4.230 1.00 0.00 N ATOM 555 CA LEU A 38 -2.111 2.266 4.142 1.00 0.00 C ATOM 556 C LEU A 38 -1.304 1.800 5.355 1.00 0.00 C ATOM 557 O LEU A 38 -0.443 2.527 5.849 1.00 0.00 O ATOM 558 CB LEU A 38 -1.470 1.903 2.801 1.00 0.00 C ATOM 559 CG LEU A 38 -1.734 0.484 2.294 1.00 0.00 C ATOM 560 CD1 LEU A 38 -2.965 0.447 1.386 1.00 0.00 C ATOM 561 CD2 LEU A 38 -0.496 -0.092 1.604 1.00 0.00 C ATOM 0 H LEU A 38 -1.572 4.269 3.847 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.063 1.735 4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.824 2.608 2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.392 2.042 2.886 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.948 -0.151 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.131 -0.573 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.838 0.787 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.804 1.100 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.711 -1.101 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.227 0.537 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.333 -0.123 2.311 1.00 0.00 H new ATOM 573 N THR A 39 -1.612 0.591 5.801 1.00 0.00 N ATOM 574 CA THR A 39 -0.927 0.020 6.948 1.00 0.00 C ATOM 575 C THR A 39 -0.808 -1.498 6.796 1.00 0.00 C ATOM 576 O THR A 39 -1.815 -2.194 6.675 1.00 0.00 O ATOM 577 CB THR A 39 -1.679 0.447 8.210 1.00 0.00 C ATOM 578 OG1 THR A 39 -3.004 -0.034 8.004 1.00 0.00 O ATOM 579 CG2 THR A 39 -1.845 1.965 8.307 1.00 0.00 C ATOM 0 H THR A 39 -2.327 -0.009 5.389 1.00 0.00 H new ATOM 0 HA THR A 39 0.096 0.390 7.022 1.00 0.00 H new ATOM 0 HB THR A 39 -1.148 0.083 9.089 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.033 -0.571 7.185 1.00 0.00 H new ATOM 0 HG21 THR A 39 -2.385 2.214 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.863 2.438 8.325 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.405 2.326 7.444 1.00 0.00 H new ATOM 587 N TRP A 40 0.431 -1.967 6.808 1.00 0.00 N ATOM 588 CA TRP A 40 0.695 -3.389 6.674 1.00 0.00 C ATOM 589 C TRP A 40 1.634 -3.806 7.808 1.00 0.00 C ATOM 590 O TRP A 40 1.964 -2.997 8.674 1.00 0.00 O ATOM 591 CB TRP A 40 1.253 -3.714 5.287 1.00 0.00 C ATOM 592 CG TRP A 40 2.548 -2.974 4.947 1.00 0.00 C ATOM 593 CD1 TRP A 40 3.808 -3.407 5.094 1.00 0.00 C ATOM 594 CD2 TRP A 40 2.660 -1.646 4.394 1.00 0.00 C ATOM 595 NE1 TRP A 40 4.720 -2.458 4.678 1.00 0.00 N ATOM 596 CE2 TRP A 40 4.000 -1.353 4.239 1.00 0.00 C ATOM 597 CE3 TRP A 40 1.662 -0.722 4.037 1.00 0.00 C ATOM 598 CZ2 TRP A 40 4.464 -0.137 3.724 1.00 0.00 C ATOM 599 CZ3 TRP A 40 2.142 0.489 3.524 1.00 0.00 C ATOM 600 CH2 TRP A 40 3.488 0.799 3.361 1.00 0.00 C ATOM 0 H TRP A 40 1.264 -1.387 6.909 1.00 0.00 H new ATOM 0 HA TRP A 40 -0.228 -3.962 6.759 1.00 0.00 H new ATOM 0 HB2 TRP A 40 1.432 -4.787 5.221 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.500 -3.470 4.538 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.076 -4.376 5.488 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.736 -2.551 4.690 1.00 0.00 H new ATOM 0 HE3 TRP A 40 0.608 -0.930 4.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.518 0.068 3.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.416 1.235 3.235 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.779 1.757 2.956 1.00 0.00 H new ATOM 611 N THR A 41 2.037 -5.067 7.766 1.00 0.00 N ATOM 612 CA THR A 41 2.931 -5.601 8.780 1.00 0.00 C ATOM 613 C THR A 41 4.339 -5.778 8.209 1.00 0.00 C ATOM 614 O THR A 41 4.508 -5.926 7.000 1.00 0.00 O ATOM 615 CB THR A 41 2.322 -6.900 9.310 1.00 0.00 C ATOM 616 OG1 THR A 41 1.269 -6.467 10.167 1.00 0.00 O ATOM 617 CG2 THR A 41 3.273 -7.656 10.241 1.00 0.00 C ATOM 0 H THR A 41 1.761 -5.735 7.046 1.00 0.00 H new ATOM 0 HA THR A 41 3.038 -4.911 9.617 1.00 0.00 H new ATOM 0 HB THR A 41 2.049 -7.541 8.471 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.819 -7.248 10.552 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.792 -8.570 10.589 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.186 -7.909 9.701 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.520 -7.028 11.097 1.00 0.00 H new ATOM 625 N LYS A 42 5.314 -5.756 9.107 1.00 0.00 N ATOM 626 CA LYS A 42 6.702 -5.912 8.708 1.00 0.00 C ATOM 627 C LYS A 42 7.005 -7.398 8.503 1.00 0.00 C ATOM 628 O LYS A 42 7.002 -8.173 9.457 1.00 0.00 O ATOM 629 CB LYS A 42 7.629 -5.228 9.714 1.00 0.00 C ATOM 630 CG LYS A 42 8.939 -4.800 9.050 1.00 0.00 C ATOM 631 CD LYS A 42 9.809 -6.014 8.720 1.00 0.00 C ATOM 632 CE LYS A 42 11.295 -5.652 8.768 1.00 0.00 C ATOM 633 NZ LYS A 42 11.641 -5.057 10.078 1.00 0.00 N ATOM 0 H LYS A 42 5.170 -5.632 10.109 1.00 0.00 H new ATOM 0 HA LYS A 42 6.883 -5.415 7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.131 -4.356 10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.841 -5.908 10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.724 -4.244 8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.484 -4.127 9.712 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.603 -6.817 9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.554 -6.390 7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.898 -6.543 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.530 -4.949 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.631 -5.277 10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.516 -4.025 10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.019 -5.450 10.813 1.00 0.00 H new ATOM 647 N PRO A 43 7.266 -7.759 7.218 1.00 0.00 N ATOM 648 CA PRO A 43 7.570 -9.138 6.875 1.00 0.00 C ATOM 649 C PRO A 43 8.991 -9.509 7.305 1.00 0.00 C ATOM 650 O PRO A 43 9.738 -8.661 7.792 1.00 0.00 O ATOM 651 CB PRO A 43 7.362 -9.225 5.372 1.00 0.00 C ATOM 652 CG PRO A 43 7.402 -7.794 4.862 1.00 0.00 C ATOM 653 CD PRO A 43 7.278 -6.868 6.061 1.00 0.00 C ATOM 0 HA PRO A 43 6.930 -9.852 7.394 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.140 -9.828 4.904 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.408 -9.697 5.136 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.333 -7.605 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.589 -7.617 4.157 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.112 -6.168 6.109 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.366 -6.274 6.010 1.00 0.00 H new ATOM 661 N PHE A 44 9.323 -10.776 7.108 1.00 0.00 N ATOM 662 CA PHE A 44 10.641 -11.270 7.469 1.00 0.00 C ATOM 663 C PHE A 44 11.638 -11.056 6.327 1.00 0.00 C ATOM 664 O PHE A 44 11.252 -11.022 5.160 1.00 0.00 O ATOM 665 CB PHE A 44 10.501 -12.770 7.733 1.00 0.00 C ATOM 666 CG PHE A 44 11.835 -13.514 7.820 1.00 0.00 C ATOM 667 CD1 PHE A 44 12.485 -13.608 9.010 1.00 0.00 C ATOM 668 CD2 PHE A 44 12.370 -14.082 6.706 1.00 0.00 C ATOM 669 CE1 PHE A 44 13.723 -14.299 9.090 1.00 0.00 C ATOM 670 CE2 PHE A 44 13.608 -14.773 6.786 1.00 0.00 C ATOM 671 CZ PHE A 44 14.258 -14.867 7.977 1.00 0.00 C ATOM 0 H PHE A 44 8.702 -11.476 6.703 1.00 0.00 H new ATOM 0 HA PHE A 44 11.011 -10.736 8.344 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.955 -12.915 8.665 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.900 -13.214 6.939 1.00 0.00 H new ATOM 0 HD1 PHE A 44 12.060 -13.157 9.895 1.00 0.00 H new ATOM 0 HD2 PHE A 44 11.853 -14.007 5.761 1.00 0.00 H new ATOM 0 HE1 PHE A 44 14.240 -14.373 10.035 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.033 -15.224 5.901 1.00 0.00 H new ATOM 0 HZ PHE A 44 15.199 -15.393 8.038 1.00 0.00 H new ATOM 681 N ASP A 45 12.900 -10.918 6.705 1.00 0.00 N ATOM 682 CA ASP A 45 13.955 -10.709 5.727 1.00 0.00 C ATOM 683 C ASP A 45 14.633 -12.046 5.421 1.00 0.00 C ATOM 684 O ASP A 45 15.083 -12.741 6.331 1.00 0.00 O ATOM 685 CB ASP A 45 15.020 -9.751 6.263 1.00 0.00 C ATOM 686 CG ASP A 45 16.008 -10.370 7.254 1.00 0.00 C ATOM 687 OD1 ASP A 45 15.599 -10.558 8.420 1.00 0.00 O ATOM 688 OD2 ASP A 45 17.150 -10.641 6.823 1.00 0.00 O ATOM 0 H ASP A 45 13.216 -10.947 7.674 1.00 0.00 H new ATOM 0 HA ASP A 45 13.504 -10.283 4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.580 -9.346 5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.521 -8.911 6.747 1.00 0.00 H new ATOM 693 N GLY A 46 14.684 -12.367 4.137 1.00 0.00 N ATOM 694 CA GLY A 46 15.300 -13.608 3.699 1.00 0.00 C ATOM 695 C GLY A 46 16.723 -13.737 4.246 1.00 0.00 C ATOM 696 O GLY A 46 17.141 -14.821 4.649 1.00 0.00 O ATOM 0 H GLY A 46 14.309 -11.789 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.700 -14.454 4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.321 -13.643 2.610 1.00 0.00 H new ATOM 700 N ASN A 47 17.428 -12.615 4.242 1.00 0.00 N ATOM 701 CA ASN A 47 18.795 -12.589 4.733 1.00 0.00 C ATOM 702 C ASN A 47 19.337 -11.161 4.645 1.00 0.00 C ATOM 703 O ASN A 47 20.072 -10.717 5.526 1.00 0.00 O ATOM 704 CB ASN A 47 19.700 -13.490 3.890 1.00 0.00 C ATOM 705 CG ASN A 47 19.885 -14.856 4.553 1.00 0.00 C ATOM 706 OD1 ASN A 47 20.532 -14.996 5.578 1.00 0.00 O ATOM 707 ND2 ASN A 47 19.282 -15.854 3.913 1.00 0.00 N ATOM 0 H ASN A 47 17.078 -11.718 3.907 1.00 0.00 H new ATOM 0 HA ASN A 47 18.790 -12.945 5.763 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.268 -13.619 2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.671 -13.013 3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.346 -16.805 4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.756 -15.668 3.059 1.00 0.00 H new ATOM 714 N SER A 48 18.952 -10.481 3.575 1.00 0.00 N ATOM 715 CA SER A 48 19.390 -9.112 3.362 1.00 0.00 C ATOM 716 C SER A 48 18.352 -8.137 3.923 1.00 0.00 C ATOM 717 O SER A 48 17.189 -8.496 4.099 1.00 0.00 O ATOM 718 CB SER A 48 19.628 -8.835 1.876 1.00 0.00 C ATOM 719 OG SER A 48 20.831 -8.103 1.656 1.00 0.00 O ATOM 0 H SER A 48 18.342 -10.852 2.847 1.00 0.00 H new ATOM 0 HA SER A 48 20.335 -8.970 3.887 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.674 -9.779 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.784 -8.276 1.472 1.00 0.00 H new ATOM 0 HG SER A 48 21.287 -8.454 0.863 1.00 0.00 H new ATOM 725 N PRO A 49 18.823 -6.891 4.195 1.00 0.00 N ATOM 726 CA PRO A 49 17.949 -5.862 4.733 1.00 0.00 C ATOM 727 C PRO A 49 17.019 -5.311 3.650 1.00 0.00 C ATOM 728 O PRO A 49 17.343 -5.361 2.464 1.00 0.00 O ATOM 729 CB PRO A 49 18.885 -4.809 5.303 1.00 0.00 C ATOM 730 CG PRO A 49 20.237 -5.059 4.655 1.00 0.00 C ATOM 731 CD PRO A 49 20.194 -6.429 4.000 1.00 0.00 C ATOM 0 HA PRO A 49 17.279 -6.241 5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.525 -3.805 5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 49 18.951 -4.891 6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.454 -4.289 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.031 -5.017 5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.445 -6.369 2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.910 -7.110 4.459 1.00 0.00 H new ATOM 739 N LEU A 50 15.881 -4.799 4.096 1.00 0.00 N ATOM 740 CA LEU A 50 14.902 -4.240 3.179 1.00 0.00 C ATOM 741 C LEU A 50 15.472 -2.971 2.543 1.00 0.00 C ATOM 742 O LEU A 50 16.065 -2.140 3.230 1.00 0.00 O ATOM 743 CB LEU A 50 13.564 -4.025 3.890 1.00 0.00 C ATOM 744 CG LEU A 50 12.912 -5.275 4.483 1.00 0.00 C ATOM 745 CD1 LEU A 50 11.616 -4.922 5.217 1.00 0.00 C ATOM 746 CD2 LEU A 50 12.689 -6.340 3.408 1.00 0.00 C ATOM 0 H LEU A 50 15.615 -4.760 5.080 1.00 0.00 H new ATOM 0 HA LEU A 50 14.697 -4.939 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.713 -3.302 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.867 -3.577 3.182 1.00 0.00 H new ATOM 0 HG LEU A 50 13.595 -5.699 5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.173 -5.829 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.834 -4.225 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.917 -4.461 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.224 -7.218 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.037 -5.941 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.647 -6.620 2.970 1.00 0.00 H new ATOM 758 N ILE A 51 15.272 -2.859 1.238 1.00 0.00 N ATOM 759 CA ILE A 51 15.758 -1.705 0.502 1.00 0.00 C ATOM 760 C ILE A 51 14.613 -0.708 0.311 1.00 0.00 C ATOM 761 O ILE A 51 14.751 0.470 0.637 1.00 0.00 O ATOM 762 CB ILE A 51 16.416 -2.143 -0.808 1.00 0.00 C ATOM 763 CG1 ILE A 51 17.829 -2.676 -0.560 1.00 0.00 C ATOM 764 CG2 ILE A 51 16.403 -1.009 -1.834 1.00 0.00 C ATOM 765 CD1 ILE A 51 18.526 -3.017 -1.878 1.00 0.00 C ATOM 0 H ILE A 51 14.779 -3.549 0.671 1.00 0.00 H new ATOM 0 HA ILE A 51 16.537 -1.193 1.068 1.00 0.00 H new ATOM 0 HB ILE A 51 15.832 -2.962 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.412 -1.932 -0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 51 17.781 -3.564 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 51 16.877 -1.347 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.373 -0.717 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 51 16.950 -0.153 -1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 51 19.528 -3.393 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.953 -3.779 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 51 18.594 -2.122 -2.496 1.00 0.00 H new ATOM 777 N ARG A 52 13.509 -1.217 -0.216 1.00 0.00 N ATOM 778 CA ARG A 52 12.341 -0.386 -0.454 1.00 0.00 C ATOM 779 C ARG A 52 11.115 -1.259 -0.724 1.00 0.00 C ATOM 780 O ARG A 52 11.156 -2.472 -0.526 1.00 0.00 O ATOM 781 CB ARG A 52 12.565 0.550 -1.643 1.00 0.00 C ATOM 782 CG ARG A 52 12.581 -0.230 -2.959 1.00 0.00 C ATOM 783 CD ARG A 52 12.499 0.716 -4.159 1.00 0.00 C ATOM 784 NE ARG A 52 13.846 0.912 -4.742 1.00 0.00 N ATOM 785 CZ ARG A 52 14.544 -0.050 -5.360 1.00 0.00 C ATOM 786 NH1 ARG A 52 14.028 -1.281 -5.480 1.00 0.00 N ATOM 787 NH2 ARG A 52 15.758 0.219 -5.859 1.00 0.00 N ATOM 0 H ARG A 52 13.399 -2.195 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 52 12.173 0.215 0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.777 1.302 -1.672 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.509 1.081 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.492 -0.825 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.743 -0.927 -2.983 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.825 0.306 -4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.085 1.675 -3.849 1.00 0.00 H new ATOM 0 HE ARG A 52 14.269 1.837 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.104 -1.486 -5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.560 -2.013 -5.951 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.151 1.156 -5.768 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.290 -0.513 -6.330 1.00 0.00 H new ATOM 801 N TYR A 53 10.051 -0.608 -1.171 1.00 0.00 N ATOM 802 CA TYR A 53 8.815 -1.310 -1.471 1.00 0.00 C ATOM 803 C TYR A 53 8.131 -0.714 -2.703 1.00 0.00 C ATOM 804 O TYR A 53 8.182 0.495 -2.922 1.00 0.00 O ATOM 805 CB TYR A 53 7.910 -1.109 -0.253 1.00 0.00 C ATOM 806 CG TYR A 53 8.094 -2.163 0.840 1.00 0.00 C ATOM 807 CD1 TYR A 53 9.253 -2.186 1.588 1.00 0.00 C ATOM 808 CD2 TYR A 53 7.101 -3.092 1.076 1.00 0.00 C ATOM 809 CE1 TYR A 53 9.427 -3.179 2.617 1.00 0.00 C ATOM 810 CE2 TYR A 53 7.275 -4.085 2.105 1.00 0.00 C ATOM 811 CZ TYR A 53 8.429 -4.080 2.824 1.00 0.00 C ATOM 812 OH TYR A 53 8.592 -5.017 3.796 1.00 0.00 O ATOM 0 H TYR A 53 10.020 0.399 -1.333 1.00 0.00 H new ATOM 0 HA TYR A 53 9.011 -2.362 -1.677 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.102 -0.123 0.171 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.870 -1.118 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.030 -1.459 1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.194 -3.075 0.490 1.00 0.00 H new ATOM 0 HE1 TYR A 53 10.329 -3.208 3.210 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.506 -4.817 2.301 1.00 0.00 H new ATOM 0 HH TYR A 53 9.156 -5.744 3.458 1.00 0.00 H new ATOM 822 N ILE A 54 7.506 -1.591 -3.476 1.00 0.00 N ATOM 823 CA ILE A 54 6.813 -1.167 -4.680 1.00 0.00 C ATOM 824 C ILE A 54 5.303 -1.261 -4.453 1.00 0.00 C ATOM 825 O ILE A 54 4.723 -2.341 -4.548 1.00 0.00 O ATOM 826 CB ILE A 54 7.304 -1.965 -5.890 1.00 0.00 C ATOM 827 CG1 ILE A 54 8.819 -1.831 -6.057 1.00 0.00 C ATOM 828 CG2 ILE A 54 6.549 -1.560 -7.157 1.00 0.00 C ATOM 829 CD1 ILE A 54 9.340 -2.798 -7.122 1.00 0.00 C ATOM 0 H ILE A 54 7.465 -2.593 -3.291 1.00 0.00 H new ATOM 0 HA ILE A 54 7.038 -0.124 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 54 7.092 -3.019 -5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.069 -0.807 -6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 54 9.313 -2.031 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.917 -2.142 -8.002 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.484 -1.750 -7.022 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.707 -0.499 -7.351 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.419 -2.683 -7.221 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.110 -3.822 -6.827 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.862 -2.579 -8.077 1.00 0.00 H new ATOM 841 N LEU A 55 4.709 -0.113 -4.158 1.00 0.00 N ATOM 842 CA LEU A 55 3.277 -0.052 -3.918 1.00 0.00 C ATOM 843 C LEU A 55 2.551 0.184 -5.243 1.00 0.00 C ATOM 844 O LEU A 55 2.782 1.191 -5.911 1.00 0.00 O ATOM 845 CB LEU A 55 2.958 0.994 -2.847 1.00 0.00 C ATOM 846 CG LEU A 55 1.563 0.913 -2.226 1.00 0.00 C ATOM 847 CD1 LEU A 55 1.038 2.306 -1.874 1.00 0.00 C ATOM 848 CD2 LEU A 55 0.599 0.151 -3.138 1.00 0.00 C ATOM 0 H LEU A 55 5.193 0.781 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 55 2.916 -1.001 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.695 0.905 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.082 1.984 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 55 1.636 0.351 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.044 2.220 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.712 2.779 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.983 2.913 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.386 0.108 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.525 0.663 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.970 -0.862 -3.295 1.00 0.00 H new ATOM 860 N GLU A 56 1.689 -0.762 -5.585 1.00 0.00 N ATOM 861 CA GLU A 56 0.927 -0.670 -6.819 1.00 0.00 C ATOM 862 C GLU A 56 -0.558 -0.470 -6.513 1.00 0.00 C ATOM 863 O GLU A 56 -1.166 -1.279 -5.813 1.00 0.00 O ATOM 864 CB GLU A 56 1.146 -1.908 -7.692 1.00 0.00 C ATOM 865 CG GLU A 56 2.628 -2.091 -8.022 1.00 0.00 C ATOM 866 CD GLU A 56 2.815 -2.553 -9.469 1.00 0.00 C ATOM 867 OE1 GLU A 56 2.076 -2.031 -10.331 1.00 0.00 O ATOM 868 OE2 GLU A 56 3.692 -3.418 -9.680 1.00 0.00 O ATOM 0 H GLU A 56 1.501 -1.596 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 56 1.282 0.196 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.773 -2.792 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.573 -1.813 -8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.158 -1.151 -7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.068 -2.822 -7.343 1.00 0.00 H new ATOM 875 N MET A 57 -1.101 0.611 -7.053 1.00 0.00 N ATOM 876 CA MET A 57 -2.504 0.927 -6.846 1.00 0.00 C ATOM 877 C MET A 57 -3.331 0.590 -8.088 1.00 0.00 C ATOM 878 O MET A 57 -2.906 0.853 -9.211 1.00 0.00 O ATOM 879 CB MET A 57 -2.650 2.416 -6.524 1.00 0.00 C ATOM 880 CG MET A 57 -4.121 2.797 -6.347 1.00 0.00 C ATOM 881 SD MET A 57 -4.329 4.555 -6.578 1.00 0.00 S ATOM 882 CE MET A 57 -4.288 4.641 -8.360 1.00 0.00 C ATOM 0 H MET A 57 -0.595 1.279 -7.634 1.00 0.00 H new ATOM 0 HA MET A 57 -2.873 0.328 -6.013 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.098 2.651 -5.614 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.211 3.010 -7.326 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.735 2.253 -7.064 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.462 2.510 -5.353 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.730 5.581 -8.689 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.255 4.586 -8.703 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.854 3.808 -8.778 1.00 0.00 H new ATOM 892 N SER A 58 -4.498 0.011 -7.843 1.00 0.00 N ATOM 893 CA SER A 58 -5.388 -0.365 -8.928 1.00 0.00 C ATOM 894 C SER A 58 -6.773 0.247 -8.705 1.00 0.00 C ATOM 895 O SER A 58 -7.432 -0.046 -7.709 1.00 0.00 O ATOM 896 CB SER A 58 -5.495 -1.887 -9.050 1.00 0.00 C ATOM 897 OG SER A 58 -6.831 -2.310 -9.309 1.00 0.00 O ATOM 0 H SER A 58 -4.847 -0.207 -6.910 1.00 0.00 H new ATOM 0 HA SER A 58 -4.973 0.020 -9.860 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.843 -2.233 -9.852 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.140 -2.350 -8.129 1.00 0.00 H new ATOM 0 HG SER A 58 -6.951 -2.444 -10.272 1.00 0.00 H new ATOM 903 N GLU A 59 -7.172 1.087 -9.649 1.00 0.00 N ATOM 904 CA GLU A 59 -8.466 1.743 -9.568 1.00 0.00 C ATOM 905 C GLU A 59 -9.195 1.645 -10.909 1.00 0.00 C ATOM 906 O GLU A 59 -8.589 1.828 -11.964 1.00 0.00 O ATOM 907 CB GLU A 59 -8.314 3.201 -9.132 1.00 0.00 C ATOM 908 CG GLU A 59 -9.516 4.036 -9.579 1.00 0.00 C ATOM 909 CD GLU A 59 -9.356 5.498 -9.159 1.00 0.00 C ATOM 910 OE1 GLU A 59 -8.299 6.073 -9.498 1.00 0.00 O ATOM 911 OE2 GLU A 59 -10.293 6.007 -8.508 1.00 0.00 O ATOM 0 H GLU A 59 -6.622 1.328 -10.474 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.064 1.233 -8.813 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.215 3.251 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.400 3.617 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.623 3.975 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.429 3.627 -9.145 1.00 0.00 H new ATOM 918 N ASN A 60 -10.486 1.357 -10.825 1.00 0.00 N ATOM 919 CA ASN A 60 -11.304 1.233 -12.020 1.00 0.00 C ATOM 920 C ASN A 60 -10.802 0.054 -12.856 1.00 0.00 C ATOM 921 O ASN A 60 -10.251 0.247 -13.939 1.00 0.00 O ATOM 922 CB ASN A 60 -11.218 2.494 -12.880 1.00 0.00 C ATOM 923 CG ASN A 60 -12.344 3.471 -12.536 1.00 0.00 C ATOM 924 OD1 ASN A 60 -12.913 4.128 -13.392 1.00 0.00 O ATOM 925 ND2 ASN A 60 -12.633 3.529 -11.240 1.00 0.00 N ATOM 0 H ASN A 60 -10.985 1.206 -9.948 1.00 0.00 H new ATOM 0 HA ASN A 60 -12.337 1.081 -11.707 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.253 2.977 -12.727 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.276 2.224 -13.934 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.371 4.151 -10.909 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.117 2.951 -10.576 1.00 0.00 H new ATOM 932 N ASN A 61 -11.011 -1.141 -12.323 1.00 0.00 N ATOM 933 CA ASN A 61 -10.586 -2.350 -13.007 1.00 0.00 C ATOM 934 C ASN A 61 -9.263 -2.085 -13.729 1.00 0.00 C ATOM 935 O ASN A 61 -9.021 -2.625 -14.807 1.00 0.00 O ATOM 936 CB ASN A 61 -11.617 -2.783 -14.052 1.00 0.00 C ATOM 937 CG ASN A 61 -12.683 -3.685 -13.429 1.00 0.00 C ATOM 938 OD1 ASN A 61 -12.450 -4.842 -13.117 1.00 0.00 O ATOM 939 ND2 ASN A 61 -13.863 -3.094 -13.265 1.00 0.00 N ATOM 0 H ASN A 61 -11.469 -1.298 -11.425 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.475 -3.138 -12.262 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.090 -1.903 -14.488 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.117 -3.312 -14.864 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.641 -3.612 -12.856 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.990 -2.122 -13.548 1.00 0.00 H new ATOM 946 N ALA A 62 -8.442 -1.253 -13.106 1.00 0.00 N ATOM 947 CA ALA A 62 -7.150 -0.909 -13.675 1.00 0.00 C ATOM 948 C ALA A 62 -6.094 -1.890 -13.161 1.00 0.00 C ATOM 949 O ALA A 62 -6.213 -2.411 -12.054 1.00 0.00 O ATOM 950 CB ALA A 62 -6.812 0.543 -13.335 1.00 0.00 C ATOM 0 H ALA A 62 -8.646 -0.807 -12.212 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.175 -0.991 -14.762 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.843 0.801 -13.762 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.577 1.201 -13.748 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.775 0.664 -12.252 1.00 0.00 H new ATOM 956 N PRO A 63 -5.058 -2.117 -14.012 1.00 0.00 N ATOM 957 CA PRO A 63 -3.981 -3.025 -13.655 1.00 0.00 C ATOM 958 C PRO A 63 -3.044 -2.387 -12.628 1.00 0.00 C ATOM 959 O PRO A 63 -2.841 -1.174 -12.637 1.00 0.00 O ATOM 960 CB PRO A 63 -3.290 -3.351 -14.969 1.00 0.00 C ATOM 961 CG PRO A 63 -3.706 -2.259 -15.941 1.00 0.00 C ATOM 962 CD PRO A 63 -4.884 -1.517 -15.332 1.00 0.00 C ATOM 0 HA PRO A 63 -4.339 -3.934 -13.173 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.207 -3.373 -14.846 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.589 -4.334 -15.334 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.877 -1.575 -16.124 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.982 -2.690 -16.903 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.683 -0.448 -15.258 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.781 -1.631 -15.940 1.00 0.00 H new ATOM 970 N TRP A 64 -2.497 -3.233 -11.768 1.00 0.00 N ATOM 971 CA TRP A 64 -1.586 -2.768 -10.736 1.00 0.00 C ATOM 972 C TRP A 64 -0.634 -1.751 -11.370 1.00 0.00 C ATOM 973 O TRP A 64 0.233 -2.118 -12.162 1.00 0.00 O ATOM 974 CB TRP A 64 -0.856 -3.941 -10.079 1.00 0.00 C ATOM 975 CG TRP A 64 -1.787 -5.026 -9.534 1.00 0.00 C ATOM 976 CD1 TRP A 64 -1.919 -6.290 -9.961 1.00 0.00 C ATOM 977 CD2 TRP A 64 -2.715 -4.892 -8.438 1.00 0.00 C ATOM 978 NE1 TRP A 64 -2.861 -6.977 -9.223 1.00 0.00 N ATOM 979 CE2 TRP A 64 -3.361 -6.100 -8.267 1.00 0.00 C ATOM 980 CE3 TRP A 64 -3.001 -3.787 -7.618 1.00 0.00 C ATOM 981 CZ2 TRP A 64 -4.332 -6.318 -7.283 1.00 0.00 C ATOM 982 CZ3 TRP A 64 -3.974 -4.020 -6.639 1.00 0.00 C ATOM 983 CH2 TRP A 64 -4.633 -5.230 -6.454 1.00 0.00 C ATOM 0 H TRP A 64 -2.667 -4.239 -11.765 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.133 -2.279 -9.930 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.180 -4.389 -10.807 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.240 -3.562 -9.264 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.359 -6.717 -10.780 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.139 -7.949 -9.355 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.509 -2.833 -7.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.823 -7.273 -7.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.231 -3.203 -5.981 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.374 -5.331 -5.675 1.00 0.00 H new ATOM 994 N THR A 65 -0.828 -0.495 -10.998 1.00 0.00 N ATOM 995 CA THR A 65 0.002 0.577 -11.521 1.00 0.00 C ATOM 996 C THR A 65 1.015 1.029 -10.467 1.00 0.00 C ATOM 997 O THR A 65 0.636 1.562 -9.425 1.00 0.00 O ATOM 998 CB THR A 65 -0.920 1.700 -11.998 1.00 0.00 C ATOM 999 OG1 THR A 65 -0.179 2.344 -13.031 1.00 0.00 O ATOM 1000 CG2 THR A 65 -1.111 2.791 -10.942 1.00 0.00 C ATOM 0 H THR A 65 -1.548 -0.195 -10.341 1.00 0.00 H new ATOM 0 HA THR A 65 0.593 0.240 -12.372 1.00 0.00 H new ATOM 0 HB THR A 65 -1.890 1.282 -12.267 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.705 3.085 -13.398 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.774 3.563 -11.332 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.550 2.356 -10.044 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.145 3.232 -10.696 1.00 0.00 H new ATOM 1008 N VAL A 66 2.283 0.800 -10.774 1.00 0.00 N ATOM 1009 CA VAL A 66 3.353 1.177 -9.867 1.00 0.00 C ATOM 1010 C VAL A 66 3.224 2.662 -9.522 1.00 0.00 C ATOM 1011 O VAL A 66 3.617 3.522 -10.309 1.00 0.00 O ATOM 1012 CB VAL A 66 4.709 0.822 -10.480 1.00 0.00 C ATOM 1013 CG1 VAL A 66 5.851 1.484 -9.706 1.00 0.00 C ATOM 1014 CG2 VAL A 66 4.900 -0.695 -10.546 1.00 0.00 C ATOM 0 H VAL A 66 2.594 0.358 -11.639 1.00 0.00 H new ATOM 0 HA VAL A 66 3.277 0.618 -8.934 1.00 0.00 H new ATOM 0 HB VAL A 66 4.727 1.208 -11.499 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.804 1.215 -10.162 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.729 2.567 -9.732 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.835 1.142 -8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.872 -0.921 -10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.851 -1.112 -9.540 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.113 -1.134 -11.159 1.00 0.00 H new ATOM 1024 N LEU A 67 2.672 2.918 -8.345 1.00 0.00 N ATOM 1025 CA LEU A 67 2.486 4.284 -7.886 1.00 0.00 C ATOM 1026 C LEU A 67 3.758 4.758 -7.180 1.00 0.00 C ATOM 1027 O LEU A 67 4.373 5.740 -7.594 1.00 0.00 O ATOM 1028 CB LEU A 67 1.227 4.394 -7.024 1.00 0.00 C ATOM 1029 CG LEU A 67 0.592 5.783 -6.937 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -0.125 6.141 -8.241 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -0.337 5.887 -5.726 1.00 0.00 C ATOM 0 H LEU A 67 2.347 2.202 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 67 2.323 4.951 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.482 3.700 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.472 4.065 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 67 1.388 6.514 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.568 7.133 -8.152 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.591 6.135 -9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.909 5.410 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.775 6.884 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.131 5.145 -5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.232 5.706 -4.814 1.00 0.00 H new ATOM 1043 N LEU A 68 4.114 4.039 -6.126 1.00 0.00 N ATOM 1044 CA LEU A 68 5.302 4.373 -5.359 1.00 0.00 C ATOM 1045 C LEU A 68 6.389 3.331 -5.628 1.00 0.00 C ATOM 1046 O LEU A 68 6.273 2.183 -5.201 1.00 0.00 O ATOM 1047 CB LEU A 68 4.955 4.531 -3.877 1.00 0.00 C ATOM 1048 CG LEU A 68 5.340 5.866 -3.236 1.00 0.00 C ATOM 1049 CD1 LEU A 68 5.052 5.856 -1.733 1.00 0.00 C ATOM 1050 CD2 LEU A 68 6.798 6.219 -3.538 1.00 0.00 C ATOM 0 H LEU A 68 3.601 3.226 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 68 5.700 5.337 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.881 4.391 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.444 3.730 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 68 4.721 6.648 -3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.335 6.816 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.989 5.683 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.627 5.062 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.046 7.172 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.450 5.441 -3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.938 6.296 -4.616 1.00 0.00 H new ATOM 1062 N ALA A 69 7.420 3.768 -6.336 1.00 0.00 N ATOM 1063 CA ALA A 69 8.527 2.887 -6.668 1.00 0.00 C ATOM 1064 C ALA A 69 9.568 2.938 -5.548 1.00 0.00 C ATOM 1065 O ALA A 69 10.127 1.911 -5.168 1.00 0.00 O ATOM 1066 CB ALA A 69 9.110 3.288 -8.024 1.00 0.00 C ATOM 0 H ALA A 69 7.512 4.721 -6.689 1.00 0.00 H new ATOM 0 HA ALA A 69 8.184 1.856 -6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.940 2.627 -8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.339 3.206 -8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.467 4.317 -7.977 1.00 0.00 H new ATOM 1072 N SER A 70 9.796 4.145 -5.050 1.00 0.00 N ATOM 1073 CA SER A 70 10.759 4.344 -3.981 1.00 0.00 C ATOM 1074 C SER A 70 10.033 4.497 -2.643 1.00 0.00 C ATOM 1075 O SER A 70 9.517 5.569 -2.332 1.00 0.00 O ATOM 1076 CB SER A 70 11.637 5.567 -4.251 1.00 0.00 C ATOM 1077 OG SER A 70 12.684 5.695 -3.293 1.00 0.00 O ATOM 0 H SER A 70 9.330 4.995 -5.368 1.00 0.00 H new ATOM 0 HA SER A 70 11.406 3.468 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.067 5.491 -5.250 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.021 6.466 -4.237 1.00 0.00 H new ATOM 0 HG SER A 70 13.223 6.487 -3.501 1.00 0.00 H new ATOM 1083 N VAL A 71 10.015 3.408 -1.888 1.00 0.00 N ATOM 1084 CA VAL A 71 9.360 3.408 -0.591 1.00 0.00 C ATOM 1085 C VAL A 71 10.377 3.034 0.489 1.00 0.00 C ATOM 1086 O VAL A 71 11.345 2.325 0.217 1.00 0.00 O ATOM 1087 CB VAL A 71 8.146 2.477 -0.617 1.00 0.00 C ATOM 1088 CG1 VAL A 71 7.595 2.255 0.792 1.00 0.00 C ATOM 1089 CG2 VAL A 71 7.062 3.017 -1.552 1.00 0.00 C ATOM 0 H VAL A 71 10.443 2.520 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 71 8.984 4.403 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 71 8.472 1.512 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.733 1.590 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.366 1.806 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.293 3.211 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.210 2.337 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.741 4.000 -1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.461 3.099 -2.563 1.00 0.00 H new ATOM 1099 N ASP A 72 10.123 3.526 1.693 1.00 0.00 N ATOM 1100 CA ASP A 72 11.004 3.252 2.815 1.00 0.00 C ATOM 1101 C ASP A 72 10.871 1.782 3.216 1.00 0.00 C ATOM 1102 O ASP A 72 9.766 1.243 3.254 1.00 0.00 O ATOM 1103 CB ASP A 72 10.634 4.108 4.028 1.00 0.00 C ATOM 1104 CG ASP A 72 11.702 5.116 4.458 1.00 0.00 C ATOM 1105 OD1 ASP A 72 12.594 4.703 5.230 1.00 0.00 O ATOM 1106 OD2 ASP A 72 11.601 6.277 4.006 1.00 0.00 O ATOM 0 H ASP A 72 9.319 4.113 1.916 1.00 0.00 H new ATOM 0 HA ASP A 72 12.023 3.484 2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.714 4.649 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.420 3.448 4.868 1.00 0.00 H new ATOM 1111 N PRO A 73 12.043 1.158 3.511 1.00 0.00 N ATOM 1112 CA PRO A 73 12.067 -0.240 3.907 1.00 0.00 C ATOM 1113 C PRO A 73 11.573 -0.411 5.345 1.00 0.00 C ATOM 1114 O PRO A 73 10.943 -1.415 5.674 1.00 0.00 O ATOM 1115 CB PRO A 73 13.511 -0.677 3.719 1.00 0.00 C ATOM 1116 CG PRO A 73 14.330 0.602 3.671 1.00 0.00 C ATOM 1117 CD PRO A 73 13.370 1.764 3.477 1.00 0.00 C ATOM 0 HA PRO A 73 11.397 -0.858 3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.835 -1.318 4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.629 -1.251 2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.898 0.726 4.593 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.051 0.563 2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.485 2.509 4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.549 2.272 2.529 1.00 0.00 H new ATOM 1125 N LYS A 74 11.877 0.585 6.164 1.00 0.00 N ATOM 1126 CA LYS A 74 11.472 0.558 7.559 1.00 0.00 C ATOM 1127 C LYS A 74 10.060 1.131 7.687 1.00 0.00 C ATOM 1128 O LYS A 74 9.582 1.374 8.795 1.00 0.00 O ATOM 1129 CB LYS A 74 12.507 1.271 8.432 1.00 0.00 C ATOM 1130 CG LYS A 74 13.903 0.679 8.222 1.00 0.00 C ATOM 1131 CD LYS A 74 14.669 0.599 9.544 1.00 0.00 C ATOM 1132 CE LYS A 74 14.733 1.968 10.224 1.00 0.00 C ATOM 1133 NZ LYS A 74 14.695 1.818 11.696 1.00 0.00 N ATOM 0 H LYS A 74 12.399 1.416 5.888 1.00 0.00 H new ATOM 0 HA LYS A 74 11.434 -0.468 7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.519 2.334 8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.225 1.184 9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.818 -0.316 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 74 14.459 1.292 7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.184 -0.118 10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.679 0.232 9.362 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.646 2.485 9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.897 2.584 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.739 2.757 12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.812 1.344 11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.507 1.248 12.008 1.00 0.00 H new ATOM 1147 N ALA A 75 9.431 1.332 6.538 1.00 0.00 N ATOM 1148 CA ALA A 75 8.083 1.873 6.508 1.00 0.00 C ATOM 1149 C ALA A 75 7.081 0.726 6.368 1.00 0.00 C ATOM 1150 O ALA A 75 7.305 -0.208 5.599 1.00 0.00 O ATOM 1151 CB ALA A 75 7.966 2.891 5.372 1.00 0.00 C ATOM 0 H ALA A 75 9.830 1.130 5.621 1.00 0.00 H new ATOM 0 HA ALA A 75 7.859 2.395 7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.955 3.297 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.678 3.700 5.534 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.182 2.402 4.422 1.00 0.00 H new ATOM 1157 N THR A 76 5.997 0.833 7.122 1.00 0.00 N ATOM 1158 CA THR A 76 4.959 -0.184 7.091 1.00 0.00 C ATOM 1159 C THR A 76 3.613 0.439 6.715 1.00 0.00 C ATOM 1160 O THR A 76 2.589 -0.242 6.715 1.00 0.00 O ATOM 1161 CB THR A 76 4.946 -0.886 8.450 1.00 0.00 C ATOM 1162 OG1 THR A 76 5.029 0.179 9.393 1.00 0.00 O ATOM 1163 CG2 THR A 76 6.215 -1.705 8.699 1.00 0.00 C ATOM 0 H THR A 76 5.815 1.609 7.759 1.00 0.00 H new ATOM 0 HA THR A 76 5.160 -0.932 6.324 1.00 0.00 H new ATOM 0 HB THR A 76 4.075 -1.539 8.512 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.025 -0.188 10.302 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.154 -2.182 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.312 -2.469 7.928 1.00 0.00 H new ATOM 0 HG23 THR A 76 7.084 -1.048 8.670 1.00 0.00 H new ATOM 1171 N SER A 77 3.659 1.726 6.405 1.00 0.00 N ATOM 1172 CA SER A 77 2.455 2.448 6.028 1.00 0.00 C ATOM 1173 C SER A 77 2.800 3.557 5.033 1.00 0.00 C ATOM 1174 O SER A 77 3.859 4.176 5.130 1.00 0.00 O ATOM 1175 CB SER A 77 1.758 3.035 7.257 1.00 0.00 C ATOM 1176 OG SER A 77 2.687 3.595 8.181 1.00 0.00 O ATOM 0 H SER A 77 4.510 2.288 6.407 1.00 0.00 H new ATOM 0 HA SER A 77 1.769 1.746 5.555 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.053 3.804 6.941 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.179 2.255 7.752 1.00 0.00 H new ATOM 0 HG SER A 77 2.203 3.961 8.951 1.00 0.00 H new ATOM 1182 N VAL A 78 1.887 3.776 4.099 1.00 0.00 N ATOM 1183 CA VAL A 78 2.081 4.800 3.087 1.00 0.00 C ATOM 1184 C VAL A 78 0.748 5.497 2.809 1.00 0.00 C ATOM 1185 O VAL A 78 -0.316 4.926 3.045 1.00 0.00 O ATOM 1186 CB VAL A 78 2.706 4.185 1.833 1.00 0.00 C ATOM 1187 CG1 VAL A 78 1.692 3.317 1.084 1.00 0.00 C ATOM 1188 CG2 VAL A 78 3.281 5.268 0.919 1.00 0.00 C ATOM 0 H VAL A 78 1.010 3.261 4.022 1.00 0.00 H new ATOM 0 HA VAL A 78 2.777 5.560 3.442 1.00 0.00 H new ATOM 0 HB VAL A 78 3.528 3.543 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.162 2.892 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.351 2.512 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.840 3.928 0.786 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.719 4.804 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.485 5.948 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.049 5.826 1.454 1.00 0.00 H new ATOM 1198 N THR A 79 0.848 6.721 2.313 1.00 0.00 N ATOM 1199 CA THR A 79 -0.337 7.502 2.001 1.00 0.00 C ATOM 1200 C THR A 79 -0.444 7.729 0.492 1.00 0.00 C ATOM 1201 O THR A 79 0.551 8.029 -0.166 1.00 0.00 O ATOM 1202 CB THR A 79 -0.274 8.800 2.808 1.00 0.00 C ATOM 1203 OG1 THR A 79 -0.378 8.372 4.164 1.00 0.00 O ATOM 1204 CG2 THR A 79 -1.507 9.681 2.599 1.00 0.00 C ATOM 0 H THR A 79 1.732 7.192 2.119 1.00 0.00 H new ATOM 0 HA THR A 79 -1.246 6.971 2.283 1.00 0.00 H new ATOM 0 HB THR A 79 0.621 9.357 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.323 8.287 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.411 10.589 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.591 9.946 1.545 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.399 9.137 2.908 1.00 0.00 H new ATOM 1212 N VAL A 80 -1.660 7.579 -0.012 1.00 0.00 N ATOM 1213 CA VAL A 80 -1.910 7.764 -1.431 1.00 0.00 C ATOM 1214 C VAL A 80 -2.740 9.032 -1.637 1.00 0.00 C ATOM 1215 O VAL A 80 -3.954 9.024 -1.434 1.00 0.00 O ATOM 1216 CB VAL A 80 -2.573 6.514 -2.013 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -2.850 6.686 -3.508 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -1.722 5.269 -1.752 1.00 0.00 C ATOM 0 H VAL A 80 -2.483 7.331 0.537 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.972 7.899 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.530 6.377 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.321 5.783 -3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.515 7.537 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.912 6.861 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.216 4.395 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.744 5.393 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.599 5.131 -0.678 1.00 0.00 H new ATOM 1228 N LYS A 81 -2.054 10.092 -2.038 1.00 0.00 N ATOM 1229 CA LYS A 81 -2.713 11.365 -2.273 1.00 0.00 C ATOM 1230 C LYS A 81 -3.074 11.481 -3.756 1.00 0.00 C ATOM 1231 O LYS A 81 -2.559 10.732 -4.584 1.00 0.00 O ATOM 1232 CB LYS A 81 -1.850 12.519 -1.759 1.00 0.00 C ATOM 1233 CG LYS A 81 -1.386 12.259 -0.324 1.00 0.00 C ATOM 1234 CD LYS A 81 -0.069 12.981 -0.034 1.00 0.00 C ATOM 1235 CE LYS A 81 0.773 12.200 0.977 1.00 0.00 C ATOM 1236 NZ LYS A 81 2.216 12.433 0.740 1.00 0.00 N ATOM 0 H LYS A 81 -1.048 10.095 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.645 11.420 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.983 12.647 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -2.418 13.448 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.151 12.595 0.376 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.260 11.188 -0.167 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.492 13.107 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.275 13.979 0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.511 12.505 1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.553 11.135 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.773 11.896 1.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.465 12.120 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.425 13.447 0.839 1.00 0.00 H new ATOM 1250 N GLY A 82 -3.956 12.427 -4.045 1.00 0.00 N ATOM 1251 CA GLY A 82 -4.391 12.651 -5.413 1.00 0.00 C ATOM 1252 C GLY A 82 -5.228 11.475 -5.921 1.00 0.00 C ATOM 1253 O GLY A 82 -4.782 10.715 -6.779 1.00 0.00 O ATOM 0 H GLY A 82 -4.381 13.047 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.976 13.569 -5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.522 12.789 -6.057 1.00 0.00 H new ATOM 1257 N LEU A 83 -6.428 11.362 -5.370 1.00 0.00 N ATOM 1258 CA LEU A 83 -7.331 10.292 -5.756 1.00 0.00 C ATOM 1259 C LEU A 83 -8.653 10.895 -6.238 1.00 0.00 C ATOM 1260 O LEU A 83 -8.904 12.083 -6.043 1.00 0.00 O ATOM 1261 CB LEU A 83 -7.494 9.288 -4.613 1.00 0.00 C ATOM 1262 CG LEU A 83 -6.240 8.500 -4.229 1.00 0.00 C ATOM 1263 CD1 LEU A 83 -6.568 7.412 -3.205 1.00 0.00 C ATOM 1264 CD2 LEU A 83 -5.549 7.930 -5.469 1.00 0.00 C ATOM 0 H LEU A 83 -6.795 11.994 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.915 9.726 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.846 9.825 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.275 8.579 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.538 9.186 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.659 6.867 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.981 7.871 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.298 6.722 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.661 7.375 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.234 7.263 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.259 8.746 -6.131 1.00 0.00 H new ATOM 1276 N VAL A 84 -9.462 10.048 -6.857 1.00 0.00 N ATOM 1277 CA VAL A 84 -10.751 10.482 -7.368 1.00 0.00 C ATOM 1278 C VAL A 84 -11.854 10.028 -6.410 1.00 0.00 C ATOM 1279 O VAL A 84 -11.900 8.862 -6.020 1.00 0.00 O ATOM 1280 CB VAL A 84 -10.949 9.967 -8.795 1.00 0.00 C ATOM 1281 CG1 VAL A 84 -12.371 10.245 -9.286 1.00 0.00 C ATOM 1282 CG2 VAL A 84 -9.913 10.571 -9.745 1.00 0.00 C ATOM 0 H VAL A 84 -9.250 9.063 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.794 11.570 -7.421 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.804 8.887 -8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.485 9.869 -10.303 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -13.086 9.745 -8.632 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.557 11.319 -9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.076 10.188 -10.752 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.012 11.656 -9.749 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.911 10.299 -9.412 1.00 0.00 H new ATOM 1292 N PRO A 85 -12.737 10.997 -6.049 1.00 0.00 N ATOM 1293 CA PRO A 85 -13.836 10.708 -5.144 1.00 0.00 C ATOM 1294 C PRO A 85 -14.938 9.920 -5.854 1.00 0.00 C ATOM 1295 O PRO A 85 -15.240 10.179 -7.018 1.00 0.00 O ATOM 1296 CB PRO A 85 -14.303 12.066 -4.647 1.00 0.00 C ATOM 1297 CG PRO A 85 -13.762 13.082 -5.639 1.00 0.00 C ATOM 1298 CD PRO A 85 -12.712 12.388 -6.491 1.00 0.00 C ATOM 0 HA PRO A 85 -13.538 10.074 -4.309 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -15.391 12.110 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -13.929 12.264 -3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -14.566 13.470 -6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -13.327 13.933 -5.115 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.945 12.471 -7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.727 12.832 -6.346 1.00 0.00 H new ATOM 1306 N ALA A 86 -15.510 8.974 -5.124 1.00 0.00 N ATOM 1307 CA ALA A 86 -16.572 8.146 -5.669 1.00 0.00 C ATOM 1308 C ALA A 86 -15.970 7.122 -6.634 1.00 0.00 C ATOM 1309 O ALA A 86 -16.490 6.917 -7.730 1.00 0.00 O ATOM 1310 CB ALA A 86 -17.619 9.036 -6.342 1.00 0.00 C ATOM 0 H ALA A 86 -15.258 8.762 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 86 -17.075 7.595 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -18.416 8.415 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -18.037 9.725 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -17.151 9.603 -7.147 1.00 0.00 H new ATOM 1316 N ARG A 87 -14.884 6.506 -6.191 1.00 0.00 N ATOM 1317 CA ARG A 87 -14.206 5.509 -7.001 1.00 0.00 C ATOM 1318 C ARG A 87 -13.457 4.518 -6.107 1.00 0.00 C ATOM 1319 O ARG A 87 -13.013 4.874 -5.017 1.00 0.00 O ATOM 1320 CB ARG A 87 -13.216 6.163 -7.967 1.00 0.00 C ATOM 1321 CG ARG A 87 -13.909 6.575 -9.267 1.00 0.00 C ATOM 1322 CD ARG A 87 -12.887 6.832 -10.376 1.00 0.00 C ATOM 1323 NE ARG A 87 -13.555 7.432 -11.552 1.00 0.00 N ATOM 1324 CZ ARG A 87 -12.939 7.699 -12.711 1.00 0.00 C ATOM 1325 NH1 ARG A 87 -11.636 7.421 -12.857 1.00 0.00 N ATOM 1326 NH2 ARG A 87 -13.626 8.244 -13.725 1.00 0.00 N ATOM 0 H ARG A 87 -14.457 6.678 -5.281 1.00 0.00 H new ATOM 0 HA ARG A 87 -14.964 4.981 -7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.768 7.038 -7.497 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.405 5.469 -8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.600 5.792 -9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.502 7.474 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.104 7.498 -10.013 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.404 5.897 -10.660 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.547 7.656 -11.475 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.113 7.006 -12.085 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.167 7.624 -13.740 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -14.618 8.455 -13.614 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.157 8.447 -14.608 1.00 0.00 H new ATOM 1340 N SER A 88 -13.340 3.295 -6.603 1.00 0.00 N ATOM 1341 CA SER A 88 -12.652 2.251 -5.862 1.00 0.00 C ATOM 1342 C SER A 88 -11.138 2.408 -6.020 1.00 0.00 C ATOM 1343 O SER A 88 -10.664 2.882 -7.051 1.00 0.00 O ATOM 1344 CB SER A 88 -13.093 0.862 -6.330 1.00 0.00 C ATOM 1345 OG SER A 88 -14.415 0.549 -5.900 1.00 0.00 O ATOM 0 H SER A 88 -13.710 3.004 -7.508 1.00 0.00 H new ATOM 0 HA SER A 88 -12.913 2.350 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.045 0.814 -7.418 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.400 0.113 -5.946 1.00 0.00 H new ATOM 0 HG SER A 88 -14.660 -0.344 -6.220 1.00 0.00 H new ATOM 1351 N TYR A 89 -10.422 2.001 -4.982 1.00 0.00 N ATOM 1352 CA TYR A 89 -8.972 2.090 -4.993 1.00 0.00 C ATOM 1353 C TYR A 89 -8.345 0.921 -4.231 1.00 0.00 C ATOM 1354 O TYR A 89 -8.709 0.654 -3.087 1.00 0.00 O ATOM 1355 CB TYR A 89 -8.625 3.396 -4.274 1.00 0.00 C ATOM 1356 CG TYR A 89 -8.573 4.617 -5.195 1.00 0.00 C ATOM 1357 CD1 TYR A 89 -7.632 4.683 -6.202 1.00 0.00 C ATOM 1358 CD2 TYR A 89 -9.467 5.653 -5.017 1.00 0.00 C ATOM 1359 CE1 TYR A 89 -7.583 5.832 -7.068 1.00 0.00 C ATOM 1360 CE2 TYR A 89 -9.418 6.803 -5.883 1.00 0.00 C ATOM 1361 CZ TYR A 89 -8.478 6.836 -6.865 1.00 0.00 C ATOM 1362 OH TYR A 89 -8.432 7.921 -7.683 1.00 0.00 O ATOM 0 H TYR A 89 -10.819 1.609 -4.128 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.593 2.061 -6.015 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.362 3.575 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.659 3.283 -3.782 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.932 3.872 -6.341 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.203 5.602 -4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.852 5.895 -7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.112 7.620 -5.755 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.240 7.632 -8.599 1.00 0.00 H new ATOM 1372 N GLN A 90 -7.412 0.255 -4.896 1.00 0.00 N ATOM 1373 CA GLN A 90 -6.731 -0.880 -4.296 1.00 0.00 C ATOM 1374 C GLN A 90 -5.251 -0.558 -4.082 1.00 0.00 C ATOM 1375 O GLN A 90 -4.721 0.373 -4.687 1.00 0.00 O ATOM 1376 CB GLN A 90 -6.901 -2.137 -5.151 1.00 0.00 C ATOM 1377 CG GLN A 90 -8.149 -2.918 -4.736 1.00 0.00 C ATOM 1378 CD GLN A 90 -8.212 -4.271 -5.449 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -7.580 -4.494 -6.469 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -9.008 -5.157 -4.858 1.00 0.00 N ATOM 0 H GLN A 90 -7.112 0.480 -5.845 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.184 -1.078 -3.325 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.975 -1.859 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.020 -2.771 -5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -8.144 -3.072 -3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -9.041 -2.337 -4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.508 -4.904 -4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.119 -6.089 -5.257 1.00 0.00 H new ATOM 1389 N PHE A 91 -4.625 -1.346 -3.220 1.00 0.00 N ATOM 1390 CA PHE A 91 -3.217 -1.156 -2.919 1.00 0.00 C ATOM 1391 C PHE A 91 -2.547 -2.487 -2.568 1.00 0.00 C ATOM 1392 O PHE A 91 -3.152 -3.337 -1.917 1.00 0.00 O ATOM 1393 CB PHE A 91 -3.139 -0.224 -1.708 1.00 0.00 C ATOM 1394 CG PHE A 91 -3.670 1.186 -1.973 1.00 0.00 C ATOM 1395 CD1 PHE A 91 -3.057 1.981 -2.891 1.00 0.00 C ATOM 1396 CD2 PHE A 91 -4.754 1.644 -1.291 1.00 0.00 C ATOM 1397 CE1 PHE A 91 -3.550 3.290 -3.137 1.00 0.00 C ATOM 1398 CE2 PHE A 91 -5.246 2.953 -1.538 1.00 0.00 C ATOM 1399 CZ PHE A 91 -4.634 3.748 -2.455 1.00 0.00 C ATOM 0 H PHE A 91 -5.068 -2.117 -2.721 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.704 -0.739 -3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.703 -0.665 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.101 -0.155 -1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.196 1.617 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.240 1.013 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.064 3.922 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.107 3.317 -0.997 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.009 4.744 -2.642 1.00 0.00 H new ATOM 1409 N ARG A 92 -1.307 -2.624 -3.013 1.00 0.00 N ATOM 1410 CA ARG A 92 -0.549 -3.836 -2.754 1.00 0.00 C ATOM 1411 C ARG A 92 0.940 -3.597 -3.014 1.00 0.00 C ATOM 1412 O ARG A 92 1.349 -3.392 -4.155 1.00 0.00 O ATOM 1413 CB ARG A 92 -1.035 -4.989 -3.635 1.00 0.00 C ATOM 1414 CG ARG A 92 -1.127 -4.558 -5.100 1.00 0.00 C ATOM 1415 CD ARG A 92 -0.991 -5.761 -6.036 1.00 0.00 C ATOM 1416 NE ARG A 92 -0.195 -5.388 -7.227 1.00 0.00 N ATOM 1417 CZ ARG A 92 0.506 -6.260 -7.964 1.00 0.00 C ATOM 1418 NH1 ARG A 92 0.514 -7.560 -7.638 1.00 0.00 N ATOM 1419 NH2 ARG A 92 1.199 -5.833 -9.028 1.00 0.00 N ATOM 0 H ARG A 92 -0.808 -1.916 -3.551 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.700 -4.104 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -0.353 -5.834 -3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.012 -5.328 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.081 -4.061 -5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.344 -3.832 -5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.511 -6.588 -5.512 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.978 -6.108 -6.342 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.179 -4.406 -7.504 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.014 -7.886 -6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.048 -8.223 -8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.193 -4.844 -9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.733 -6.497 -9.589 1.00 0.00 H new ATOM 1433 N LEU A 93 1.709 -3.632 -1.936 1.00 0.00 N ATOM 1434 CA LEU A 93 3.143 -3.421 -2.033 1.00 0.00 C ATOM 1435 C LEU A 93 3.871 -4.718 -1.669 1.00 0.00 C ATOM 1436 O LEU A 93 3.348 -5.536 -0.914 1.00 0.00 O ATOM 1437 CB LEU A 93 3.567 -2.220 -1.185 1.00 0.00 C ATOM 1438 CG LEU A 93 3.249 -2.308 0.309 1.00 0.00 C ATOM 1439 CD1 LEU A 93 4.224 -1.460 1.128 1.00 0.00 C ATOM 1440 CD2 LEU A 93 1.792 -1.930 0.582 1.00 0.00 C ATOM 0 H LEU A 93 1.366 -3.803 -0.991 1.00 0.00 H new ATOM 0 HA LEU A 93 3.423 -3.174 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.642 -2.081 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.085 -1.329 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 93 3.378 -3.343 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.976 -1.540 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.241 -1.817 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.151 -0.418 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.592 -2.001 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.612 -0.909 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.133 -2.611 0.044 1.00 0.00 H new ATOM 1452 N CYS A 94 5.065 -4.864 -2.224 1.00 0.00 N ATOM 1453 CA CYS A 94 5.869 -6.047 -1.968 1.00 0.00 C ATOM 1454 C CYS A 94 7.137 -5.615 -1.229 1.00 0.00 C ATOM 1455 O CYS A 94 7.383 -4.423 -1.056 1.00 0.00 O ATOM 1456 CB CYS A 94 6.190 -6.803 -3.259 1.00 0.00 C ATOM 1457 SG CYS A 94 6.844 -5.645 -4.516 1.00 0.00 S ATOM 0 H CYS A 94 5.495 -4.183 -2.850 1.00 0.00 H new ATOM 0 HA CYS A 94 5.307 -6.744 -1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.921 -7.587 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 94 5.292 -7.293 -3.636 1.00 0.00 H new ATOM 0 HG CYS A 94 6.059 -5.640 -5.552 1.00 0.00 H new ATOM 1463 N ALA A 95 7.908 -6.609 -0.813 1.00 0.00 N ATOM 1464 CA ALA A 95 9.144 -6.347 -0.096 1.00 0.00 C ATOM 1465 C ALA A 95 10.326 -6.493 -1.057 1.00 0.00 C ATOM 1466 O ALA A 95 10.599 -7.586 -1.550 1.00 0.00 O ATOM 1467 CB ALA A 95 9.249 -7.290 1.104 1.00 0.00 C ATOM 0 H ALA A 95 7.701 -7.597 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 95 9.155 -5.327 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.177 -7.093 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.402 -7.127 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 95 9.244 -8.323 0.756 1.00 0.00 H new ATOM 1473 N VAL A 96 10.997 -5.375 -1.294 1.00 0.00 N ATOM 1474 CA VAL A 96 12.143 -5.365 -2.187 1.00 0.00 C ATOM 1475 C VAL A 96 13.413 -5.100 -1.376 1.00 0.00 C ATOM 1476 O VAL A 96 13.464 -4.161 -0.584 1.00 0.00 O ATOM 1477 CB VAL A 96 11.926 -4.344 -3.306 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.098 -4.351 -4.289 1.00 0.00 C ATOM 1479 CG2 VAL A 96 10.601 -4.598 -4.029 1.00 0.00 C ATOM 0 H VAL A 96 10.769 -4.470 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 96 12.260 -6.336 -2.669 1.00 0.00 H new ATOM 0 HB VAL A 96 11.876 -3.354 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.919 -3.617 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.018 -4.100 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 96 13.194 -5.342 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.470 -3.859 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.610 -5.597 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 96 9.778 -4.519 -3.319 1.00 0.00 H new ATOM 1489 N ASN A 97 14.408 -5.946 -1.601 1.00 0.00 N ATOM 1490 CA ASN A 97 15.674 -5.816 -0.902 1.00 0.00 C ATOM 1491 C ASN A 97 16.820 -6.113 -1.871 1.00 0.00 C ATOM 1492 O ASN A 97 16.586 -6.467 -3.025 1.00 0.00 O ATOM 1493 CB ASN A 97 15.767 -6.809 0.258 1.00 0.00 C ATOM 1494 CG ASN A 97 15.130 -8.149 -0.114 1.00 0.00 C ATOM 1495 OD1 ASN A 97 14.494 -8.298 -1.145 1.00 0.00 O ATOM 1496 ND2 ASN A 97 15.334 -9.113 0.779 1.00 0.00 N ATOM 0 H ASN A 97 14.362 -6.725 -2.258 1.00 0.00 H new ATOM 0 HA ASN A 97 15.742 -4.800 -0.514 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.812 -6.962 0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.268 -6.397 1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.949 -10.044 0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.876 -8.921 1.622 1.00 0.00 H new ATOM 1503 N ASP A 98 18.035 -5.957 -1.366 1.00 0.00 N ATOM 1504 CA ASP A 98 19.219 -6.203 -2.172 1.00 0.00 C ATOM 1505 C ASP A 98 18.988 -7.440 -3.043 1.00 0.00 C ATOM 1506 O ASP A 98 19.063 -7.364 -4.268 1.00 0.00 O ATOM 1507 CB ASP A 98 20.441 -6.466 -1.291 1.00 0.00 C ATOM 1508 CG ASP A 98 21.733 -6.772 -2.052 1.00 0.00 C ATOM 1509 OD1 ASP A 98 22.042 -5.996 -2.981 1.00 0.00 O ATOM 1510 OD2 ASP A 98 22.382 -7.776 -1.687 1.00 0.00 O ATOM 0 H ASP A 98 18.225 -5.663 -0.408 1.00 0.00 H new ATOM 0 HA ASP A 98 19.400 -5.319 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 98 20.608 -5.595 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 98 20.220 -7.303 -0.629 1.00 0.00 H new ATOM 1515 N VAL A 99 18.713 -8.551 -2.376 1.00 0.00 N ATOM 1516 CA VAL A 99 18.471 -9.803 -3.073 1.00 0.00 C ATOM 1517 C VAL A 99 17.618 -9.533 -4.314 1.00 0.00 C ATOM 1518 O VAL A 99 17.964 -9.961 -5.414 1.00 0.00 O ATOM 1519 CB VAL A 99 17.837 -10.819 -2.121 1.00 0.00 C ATOM 1520 CG1 VAL A 99 18.465 -10.731 -0.728 1.00 0.00 C ATOM 1521 CG2 VAL A 99 16.320 -10.632 -2.051 1.00 0.00 C ATOM 0 H VAL A 99 18.652 -8.610 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 99 19.411 -10.239 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 99 18.034 -11.816 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.997 -11.464 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 99 19.533 -10.936 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 99 18.313 -9.731 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.894 -11.367 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.093 -9.628 -1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.890 -10.768 -3.044 1.00 0.00 H new ATOM 1531 N GLY A 100 16.519 -8.826 -4.096 1.00 0.00 N ATOM 1532 CA GLY A 100 15.614 -8.494 -5.183 1.00 0.00 C ATOM 1533 C GLY A 100 14.218 -8.164 -4.652 1.00 0.00 C ATOM 1534 O GLY A 100 14.078 -7.417 -3.685 1.00 0.00 O ATOM 0 H GLY A 100 16.235 -8.474 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 100 16.006 -7.643 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.554 -9.330 -5.879 1.00 0.00 H new ATOM 1538 N LYS A 101 13.219 -8.738 -5.308 1.00 0.00 N ATOM 1539 CA LYS A 101 11.839 -8.514 -4.914 1.00 0.00 C ATOM 1540 C LYS A 101 11.133 -9.862 -4.754 1.00 0.00 C ATOM 1541 O LYS A 101 11.297 -10.754 -5.585 1.00 0.00 O ATOM 1542 CB LYS A 101 11.146 -7.571 -5.901 1.00 0.00 C ATOM 1543 CG LYS A 101 9.662 -7.418 -5.563 1.00 0.00 C ATOM 1544 CD LYS A 101 8.804 -7.468 -6.828 1.00 0.00 C ATOM 1545 CE LYS A 101 9.300 -6.461 -7.868 1.00 0.00 C ATOM 1546 NZ LYS A 101 9.205 -7.033 -9.230 1.00 0.00 N ATOM 0 H LYS A 101 13.339 -9.358 -6.109 1.00 0.00 H new ATOM 0 HA LYS A 101 11.796 -8.014 -3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.630 -6.595 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.254 -7.957 -6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.357 -8.212 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.499 -6.473 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.829 -8.473 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.765 -7.254 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 101 8.709 -5.547 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.333 -6.187 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.545 -6.337 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.788 -7.892 -9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.214 -7.272 -9.438 1.00 0.00 H new ATOM 1560 N GLY A 102 10.364 -9.968 -3.680 1.00 0.00 N ATOM 1561 CA GLY A 102 9.634 -11.192 -3.401 1.00 0.00 C ATOM 1562 C GLY A 102 8.229 -11.143 -4.006 1.00 0.00 C ATOM 1563 O GLY A 102 8.077 -11.035 -5.222 1.00 0.00 O ATOM 0 H GLY A 102 10.231 -9.226 -2.993 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.179 -12.045 -3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.565 -11.341 -2.323 1.00 0.00 H new ATOM 1567 N GLN A 103 7.239 -11.225 -3.130 1.00 0.00 N ATOM 1568 CA GLN A 103 5.852 -11.191 -3.563 1.00 0.00 C ATOM 1569 C GLN A 103 5.153 -9.948 -3.008 1.00 0.00 C ATOM 1570 O GLN A 103 5.730 -9.212 -2.209 1.00 0.00 O ATOM 1571 CB GLN A 103 5.116 -12.466 -3.146 1.00 0.00 C ATOM 1572 CG GLN A 103 4.833 -12.468 -1.642 1.00 0.00 C ATOM 1573 CD GLN A 103 5.047 -13.861 -1.047 1.00 0.00 C ATOM 1574 OE1 GLN A 103 5.770 -14.688 -1.579 1.00 0.00 O ATOM 1575 NE2 GLN A 103 4.382 -14.074 0.085 1.00 0.00 N ATOM 0 H GLN A 103 7.369 -11.315 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 103 5.833 -11.139 -4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.178 -12.546 -3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.715 -13.338 -3.408 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.486 -11.751 -1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 103 3.808 -12.144 -1.461 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.794 -13.339 0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.460 -14.973 0.561 1.00 0.00 H new ATOM 1584 N PHE A 104 3.921 -9.753 -3.454 1.00 0.00 N ATOM 1585 CA PHE A 104 3.137 -8.612 -3.012 1.00 0.00 C ATOM 1586 C PHE A 104 2.018 -9.049 -2.064 1.00 0.00 C ATOM 1587 O PHE A 104 1.743 -10.241 -1.931 1.00 0.00 O ATOM 1588 CB PHE A 104 2.515 -7.985 -4.261 1.00 0.00 C ATOM 1589 CG PHE A 104 3.536 -7.382 -5.229 1.00 0.00 C ATOM 1590 CD1 PHE A 104 4.462 -8.179 -5.824 1.00 0.00 C ATOM 1591 CD2 PHE A 104 3.516 -6.048 -5.493 1.00 0.00 C ATOM 1592 CE1 PHE A 104 5.409 -7.619 -6.722 1.00 0.00 C ATOM 1593 CE2 PHE A 104 4.463 -5.487 -6.390 1.00 0.00 C ATOM 1594 CZ PHE A 104 5.390 -6.285 -6.986 1.00 0.00 C ATOM 0 H PHE A 104 3.446 -10.366 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 104 3.775 -7.908 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 104 1.936 -8.744 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.816 -7.207 -3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.478 -9.238 -5.614 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.780 -5.415 -5.020 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.144 -8.253 -7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.448 -4.428 -6.599 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.111 -5.859 -7.669 1.00 0.00 H new ATOM 1604 N SER A 105 1.404 -8.062 -1.430 1.00 0.00 N ATOM 1605 CA SER A 105 0.321 -8.329 -0.499 1.00 0.00 C ATOM 1606 C SER A 105 -1.016 -8.349 -1.242 1.00 0.00 C ATOM 1607 O SER A 105 -1.239 -7.546 -2.147 1.00 0.00 O ATOM 1608 CB SER A 105 0.289 -7.290 0.623 1.00 0.00 C ATOM 1609 OG SER A 105 0.351 -5.958 0.119 1.00 0.00 O ATOM 0 H SER A 105 1.636 -7.075 -1.543 1.00 0.00 H new ATOM 0 HA SER A 105 0.493 -9.306 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.623 -7.415 1.207 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.126 -7.461 1.300 1.00 0.00 H new ATOM 0 HG SER A 105 0.014 -5.336 0.797 1.00 0.00 H new ATOM 1615 N LYS A 106 -1.871 -9.275 -0.833 1.00 0.00 N ATOM 1616 CA LYS A 106 -3.180 -9.410 -1.449 1.00 0.00 C ATOM 1617 C LYS A 106 -3.857 -8.039 -1.502 1.00 0.00 C ATOM 1618 O LYS A 106 -3.501 -7.137 -0.746 1.00 0.00 O ATOM 1619 CB LYS A 106 -4.005 -10.476 -0.726 1.00 0.00 C ATOM 1620 CG LYS A 106 -4.792 -9.866 0.435 1.00 0.00 C ATOM 1621 CD LYS A 106 -3.863 -9.502 1.595 1.00 0.00 C ATOM 1622 CE LYS A 106 -3.091 -10.729 2.085 1.00 0.00 C ATOM 1623 NZ LYS A 106 -2.938 -10.692 3.557 1.00 0.00 N ATOM 0 H LYS A 106 -1.683 -9.939 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 106 -3.083 -9.758 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.693 -10.947 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.346 -11.259 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.319 -8.975 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -5.548 -10.572 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -3.162 -8.730 1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.446 -9.083 2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -3.616 -11.638 1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.109 -10.761 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -2.630 -11.625 3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.227 -9.978 3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.849 -10.447 3.995 1.00 0.00 H new ATOM 1637 N ASP A 107 -4.822 -7.925 -2.403 1.00 0.00 N ATOM 1638 CA ASP A 107 -5.552 -6.680 -2.565 1.00 0.00 C ATOM 1639 C ASP A 107 -6.185 -6.288 -1.228 1.00 0.00 C ATOM 1640 O ASP A 107 -6.995 -7.032 -0.678 1.00 0.00 O ATOM 1641 CB ASP A 107 -6.675 -6.829 -3.593 1.00 0.00 C ATOM 1642 CG ASP A 107 -7.565 -8.060 -3.405 1.00 0.00 C ATOM 1643 OD1 ASP A 107 -7.421 -8.707 -2.346 1.00 0.00 O ATOM 1644 OD2 ASP A 107 -8.368 -8.325 -4.326 1.00 0.00 O ATOM 0 H ASP A 107 -5.115 -8.675 -3.029 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.850 -5.919 -2.906 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.301 -5.938 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.233 -6.867 -4.589 1.00 0.00 H new ATOM 1649 N THR A 108 -5.791 -5.119 -0.744 1.00 0.00 N ATOM 1650 CA THR A 108 -6.309 -4.619 0.518 1.00 0.00 C ATOM 1651 C THR A 108 -7.822 -4.408 0.428 1.00 0.00 C ATOM 1652 O THR A 108 -8.361 -4.215 -0.660 1.00 0.00 O ATOM 1653 CB THR A 108 -5.539 -3.346 0.874 1.00 0.00 C ATOM 1654 OG1 THR A 108 -5.615 -2.552 -0.306 1.00 0.00 O ATOM 1655 CG2 THR A 108 -4.041 -3.599 1.057 1.00 0.00 C ATOM 0 H THR A 108 -5.119 -4.504 -1.203 1.00 0.00 H new ATOM 0 HA THR A 108 -6.160 -5.342 1.320 1.00 0.00 H new ATOM 0 HB THR A 108 -5.949 -2.918 1.789 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.781 -2.639 -0.813 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.542 -2.663 1.308 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.889 -4.319 1.861 1.00 0.00 H new ATOM 0 HG23 THR A 108 -3.623 -3.996 0.132 1.00 0.00 H new ATOM 1663 N GLU A 109 -8.464 -4.453 1.586 1.00 0.00 N ATOM 1664 CA GLU A 109 -9.903 -4.269 1.652 1.00 0.00 C ATOM 1665 C GLU A 109 -10.345 -3.180 0.672 1.00 0.00 C ATOM 1666 O GLU A 109 -10.018 -2.008 0.852 1.00 0.00 O ATOM 1667 CB GLU A 109 -10.350 -3.938 3.077 1.00 0.00 C ATOM 1668 CG GLU A 109 -11.261 -5.034 3.635 1.00 0.00 C ATOM 1669 CD GLU A 109 -11.910 -4.591 4.948 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -11.267 -4.803 5.999 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -13.035 -4.051 4.871 1.00 0.00 O ATOM 0 H GLU A 109 -8.013 -4.614 2.487 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.382 -5.205 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.476 -3.825 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.877 -2.984 3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -12.035 -5.275 2.906 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.683 -5.944 3.799 1.00 0.00 H new ATOM 1678 N ARG A 110 -11.081 -3.606 -0.344 1.00 0.00 N ATOM 1679 CA ARG A 110 -11.570 -2.682 -1.353 1.00 0.00 C ATOM 1680 C ARG A 110 -11.907 -1.332 -0.717 1.00 0.00 C ATOM 1681 O ARG A 110 -12.974 -1.167 -0.128 1.00 0.00 O ATOM 1682 CB ARG A 110 -12.816 -3.235 -2.048 1.00 0.00 C ATOM 1683 CG ARG A 110 -12.926 -2.704 -3.479 1.00 0.00 C ATOM 1684 CD ARG A 110 -14.382 -2.693 -3.950 1.00 0.00 C ATOM 1685 NE ARG A 110 -14.561 -3.650 -5.064 1.00 0.00 N ATOM 1686 CZ ARG A 110 -14.644 -4.979 -4.908 1.00 0.00 C ATOM 1687 NH1 ARG A 110 -14.565 -5.515 -3.683 1.00 0.00 N ATOM 1688 NH2 ARG A 110 -14.806 -5.770 -5.977 1.00 0.00 N ATOM 0 H ARG A 110 -11.351 -4.579 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 110 -10.781 -2.552 -2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -12.776 -4.324 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.706 -2.956 -1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.516 -1.695 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.329 -3.324 -4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -15.042 -2.957 -3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -14.661 -1.690 -4.273 1.00 0.00 H new ATOM 0 HE ARG A 110 -14.625 -3.275 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -14.442 -4.912 -2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -14.628 -6.526 -3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -14.866 -5.361 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -14.869 -6.781 -5.858 1.00 0.00 H new ATOM 1702 N VAL A 111 -10.976 -0.399 -0.857 1.00 0.00 N ATOM 1703 CA VAL A 111 -11.160 0.932 -0.304 1.00 0.00 C ATOM 1704 C VAL A 111 -11.709 1.859 -1.389 1.00 0.00 C ATOM 1705 O VAL A 111 -11.096 2.017 -2.444 1.00 0.00 O ATOM 1706 CB VAL A 111 -9.848 1.432 0.304 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -9.979 2.883 0.771 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -9.393 0.526 1.449 1.00 0.00 C ATOM 0 H VAL A 111 -10.092 -0.539 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.890 0.912 0.505 1.00 0.00 H new ATOM 0 HB VAL A 111 -9.084 1.397 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.033 3.214 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.235 3.517 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.763 2.953 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.458 0.904 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.156 0.513 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.240 -0.486 1.074 1.00 0.00 H new ATOM 1718 N SER A 112 -12.858 2.449 -1.094 1.00 0.00 N ATOM 1719 CA SER A 112 -13.496 3.357 -2.032 1.00 0.00 C ATOM 1720 C SER A 112 -13.481 4.781 -1.474 1.00 0.00 C ATOM 1721 O SER A 112 -13.652 4.983 -0.273 1.00 0.00 O ATOM 1722 CB SER A 112 -14.932 2.919 -2.332 1.00 0.00 C ATOM 1723 OG SER A 112 -15.717 3.988 -2.855 1.00 0.00 O ATOM 0 H SER A 112 -13.364 2.316 -0.218 1.00 0.00 H new ATOM 0 HA SER A 112 -12.935 3.334 -2.966 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.918 2.096 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.394 2.542 -1.420 1.00 0.00 H new ATOM 0 HG SER A 112 -16.626 3.669 -3.035 1.00 0.00 H new ATOM 1729 N LEU A 113 -13.274 5.732 -2.373 1.00 0.00 N ATOM 1730 CA LEU A 113 -13.234 7.132 -1.986 1.00 0.00 C ATOM 1731 C LEU A 113 -14.644 7.720 -2.069 1.00 0.00 C ATOM 1732 O LEU A 113 -15.410 7.381 -2.970 1.00 0.00 O ATOM 1733 CB LEU A 113 -12.202 7.890 -2.823 1.00 0.00 C ATOM 1734 CG LEU A 113 -11.169 8.703 -2.039 1.00 0.00 C ATOM 1735 CD1 LEU A 113 -9.777 8.081 -2.157 1.00 0.00 C ATOM 1736 CD2 LEU A 113 -11.181 10.170 -2.474 1.00 0.00 C ATOM 0 H LEU A 113 -13.132 5.560 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.907 7.232 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -11.671 7.171 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -12.733 8.565 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.444 8.678 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.062 8.678 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -9.797 7.066 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.478 8.054 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -10.438 10.725 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -10.945 10.237 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -12.169 10.595 -2.295 1.00 0.00 H new ATOM 1748 N PRO A 114 -14.952 8.615 -1.092 1.00 0.00 N ATOM 1749 CA PRO A 114 -16.257 9.253 -1.046 1.00 0.00 C ATOM 1750 C PRO A 114 -16.376 10.335 -2.122 1.00 0.00 C ATOM 1751 O PRO A 114 -15.383 10.962 -2.490 1.00 0.00 O ATOM 1752 CB PRO A 114 -16.376 9.804 0.365 1.00 0.00 C ATOM 1753 CG PRO A 114 -14.958 9.862 0.911 1.00 0.00 C ATOM 1754 CD PRO A 114 -14.070 9.040 -0.009 1.00 0.00 C ATOM 0 HA PRO A 114 -17.072 8.561 -1.259 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -16.834 10.793 0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -17.006 9.164 0.982 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -14.609 10.893 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -14.924 9.468 1.927 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -13.236 9.631 -0.387 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -13.643 8.184 0.513 1.00 0.00 H new ATOM 1762 N GLU A 115 -17.599 10.520 -2.596 1.00 0.00 N ATOM 1763 CA GLU A 115 -17.861 11.515 -3.622 1.00 0.00 C ATOM 1764 C GLU A 115 -17.446 12.904 -3.133 1.00 0.00 C ATOM 1765 O GLU A 115 -17.330 13.134 -1.930 1.00 0.00 O ATOM 1766 CB GLU A 115 -19.333 11.498 -4.040 1.00 0.00 C ATOM 1767 CG GLU A 115 -19.499 11.979 -5.483 1.00 0.00 C ATOM 1768 CD GLU A 115 -20.909 11.685 -6.000 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -21.298 10.499 -5.942 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -21.565 12.653 -6.441 1.00 0.00 O ATOM 0 H GLU A 115 -18.420 9.998 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.265 11.267 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.731 10.488 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -19.912 12.135 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.304 13.050 -5.538 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.764 11.488 -6.121 1.00 0.00 H new