USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 683 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 32 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.3!) USER MOD Single : A 29 SER OG : rot -160:sc= -0.673 USER MOD Single : A 30 SER OG : rot -11:sc= 0.681! USER MOD Single : A 35 CYS SG : rot -45:sc= 0.239 USER MOD Single : A 38 SER OG : rot 180:sc= -0.655 USER MOD Single : A 41 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.25) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.447 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 55 HIS : no HD1:sc= -0.508 K(o=-0.51,f=-1.6) USER MOD Single : A 57 ASN : amide:sc= -0.047 X(o=-0.047,f=-0.06) USER MOD Single : A 60 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.6) USER MOD Single : A 65 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.34) USER MOD Single : A 69 TYR OH : rot -174:sc= -0.157 USER MOD Single : A 70 HIS : no HE2:sc= -2.47 X(o=-2.5,f=-2.4) USER MOD Single : A 76 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.061) USER MOD Single : A 80 LYS NZ :NH3+ -131:sc= -0.13 (180deg=-1.04) USER MOD Single : A 82 SER OG : rot 180:sc= -0.525 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0719 K(o=-0.072,f=-2.1!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -15.080 -7.407 9.968 1.00 0.00 N ATOM 174 CA VAL A 14 -15.379 -6.143 9.305 1.00 0.00 C ATOM 175 C VAL A 14 -16.365 -6.343 8.160 1.00 0.00 C ATOM 176 O VAL A 14 -16.256 -7.298 7.391 1.00 0.00 O ATOM 177 CB VAL A 14 -14.101 -5.480 8.757 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.447 -4.238 7.951 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.148 -5.141 9.893 1.00 0.00 C ATOM 0 HA VAL A 14 -15.825 -5.490 10.055 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.602 -6.186 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.532 -3.783 7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.088 -4.514 7.114 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.970 -3.525 8.588 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.251 -4.673 9.488 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.635 -4.453 10.584 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.874 -6.053 10.423 1.00 0.00 H new ATOM 189 N HIS A 15 -17.330 -5.435 8.052 1.00 0.00 N ATOM 190 CA HIS A 15 -18.337 -5.510 7.000 1.00 0.00 C ATOM 191 C HIS A 15 -18.393 -4.208 6.207 1.00 0.00 C ATOM 192 O HIS A 15 -18.770 -3.163 6.738 1.00 0.00 O ATOM 193 CB HIS A 15 -19.710 -5.816 7.599 1.00 0.00 C ATOM 194 CG HIS A 15 -19.935 -7.271 7.870 1.00 0.00 C ATOM 195 ND1 HIS A 15 -20.244 -8.181 6.881 1.00 0.00 N ATOM 196 CD2 HIS A 15 -19.894 -7.974 9.026 1.00 0.00 C ATOM 197 CE1 HIS A 15 -20.384 -9.381 7.417 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.176 -9.282 8.718 1.00 0.00 N ATOM 0 H HIS A 15 -17.436 -4.639 8.680 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.058 -6.316 6.321 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.823 -5.260 8.530 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.482 -5.458 6.918 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -19.679 -7.579 10.008 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -20.627 -10.288 6.883 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.218 -10.052 9.385 1.00 0.00 H new ATOM 206 N ILE A 16 -18.016 -4.279 4.935 1.00 0.00 N ATOM 207 CA ILE A 16 -18.024 -3.105 4.070 1.00 0.00 C ATOM 208 C ILE A 16 -19.432 -2.541 3.923 1.00 0.00 C ATOM 209 O ILE A 16 -20.217 -3.010 3.097 1.00 0.00 O ATOM 210 CB ILE A 16 -17.465 -3.432 2.673 1.00 0.00 C ATOM 211 CG1 ILE A 16 -16.049 -4.000 2.786 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.475 -2.190 1.794 1.00 0.00 C ATOM 213 CD1 ILE A 16 -15.044 -3.011 3.334 1.00 0.00 C ATOM 0 H ILE A 16 -17.701 -5.136 4.480 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.384 -2.360 4.543 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.102 -4.186 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -16.069 -4.880 3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.720 -4.333 1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -17.077 -2.437 0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.497 -1.825 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.858 -1.416 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -14.062 -3.481 3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.995 -2.141 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.350 -2.697 4.332 1.00 0.00 H new ATOM 225 N ILE A 17 -19.746 -1.530 4.727 1.00 0.00 N ATOM 226 CA ILE A 17 -21.059 -0.899 4.683 1.00 0.00 C ATOM 227 C ILE A 17 -21.238 -0.088 3.404 1.00 0.00 C ATOM 228 O ILE A 17 -22.090 -0.401 2.574 1.00 0.00 O ATOM 229 CB ILE A 17 -21.282 0.022 5.897 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.890 -0.698 7.190 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.732 0.478 5.957 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.082 0.144 8.432 1.00 0.00 C ATOM 0 H ILE A 17 -19.109 -1.131 5.416 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.795 -1.702 4.706 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.649 0.903 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.482 -1.609 7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.845 -1.002 7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.874 1.128 6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.980 1.024 5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.383 -0.391 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.785 -0.429 9.310 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.469 1.043 8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.131 0.426 8.522 1.00 0.00 H new ATOM 244 N GLU A 18 -20.426 0.954 3.253 1.00 0.00 N ATOM 245 CA GLU A 18 -20.494 1.809 2.074 1.00 0.00 C ATOM 246 C GLU A 18 -19.138 1.886 1.378 1.00 0.00 C ATOM 247 O GLU A 18 -18.390 2.847 1.558 1.00 0.00 O ATOM 248 CB GLU A 18 -20.961 3.214 2.462 1.00 0.00 C ATOM 249 CG GLU A 18 -22.183 3.222 3.365 1.00 0.00 C ATOM 250 CD GLU A 18 -22.606 4.623 3.762 1.00 0.00 C ATOM 251 OE1 GLU A 18 -21.838 5.572 3.501 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.707 4.769 4.334 1.00 0.00 O ATOM 0 H GLU A 18 -19.715 1.226 3.931 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.214 1.373 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.145 3.733 2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.186 3.776 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.010 2.728 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.970 2.643 4.263 1.00 0.00 H new ATOM 259 N ASP A 19 -18.829 0.867 0.585 1.00 0.00 N ATOM 260 CA ASP A 19 -17.564 0.818 -0.138 1.00 0.00 C ATOM 261 C ASP A 19 -17.334 2.108 -0.919 1.00 0.00 C ATOM 262 O ASP A 19 -18.278 2.837 -1.227 1.00 0.00 O ATOM 263 CB ASP A 19 -17.542 -0.380 -1.090 1.00 0.00 C ATOM 264 CG ASP A 19 -16.133 -0.798 -1.462 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.530 -0.141 -2.337 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.633 -1.782 -0.878 1.00 0.00 O ATOM 0 H ASP A 19 -19.437 0.064 0.426 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.761 0.708 0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.056 -1.220 -0.624 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.095 -0.131 -1.996 1.00 0.00 H new ATOM 271 N LEU A 20 -16.074 2.385 -1.235 1.00 0.00 N ATOM 272 CA LEU A 20 -15.719 3.589 -1.979 1.00 0.00 C ATOM 273 C LEU A 20 -16.511 3.678 -3.280 1.00 0.00 C ATOM 274 O LEU A 20 -17.244 2.756 -3.635 1.00 0.00 O ATOM 275 CB LEU A 20 -14.219 3.603 -2.280 1.00 0.00 C ATOM 276 CG LEU A 20 -13.293 3.365 -1.087 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.152 2.436 -1.473 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.752 4.686 -0.560 1.00 0.00 C ATOM 0 H LEU A 20 -15.281 1.793 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.968 4.453 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.013 2.842 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.967 4.566 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.869 2.889 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.504 2.278 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.557 1.479 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.576 2.884 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.095 4.497 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.192 5.190 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.581 5.318 -0.243 1.00 0.00 H new ATOM 290 N GLU A 21 -16.355 4.794 -3.986 1.00 0.00 N ATOM 291 CA GLU A 21 -17.055 5.002 -5.248 1.00 0.00 C ATOM 292 C GLU A 21 -16.066 5.148 -6.401 1.00 0.00 C ATOM 293 O GLU A 21 -15.871 4.221 -7.187 1.00 0.00 O ATOM 294 CB GLU A 21 -17.945 6.244 -5.165 1.00 0.00 C ATOM 295 CG GLU A 21 -19.089 6.107 -4.173 1.00 0.00 C ATOM 296 CD GLU A 21 -20.293 6.946 -4.553 1.00 0.00 C ATOM 297 OE1 GLU A 21 -21.076 6.501 -5.419 1.00 0.00 O ATOM 298 OE2 GLU A 21 -20.454 8.047 -3.986 1.00 0.00 O ATOM 0 H GLU A 21 -15.751 5.567 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.679 4.128 -5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.333 7.101 -4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.355 6.454 -6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.386 5.060 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.743 6.402 -3.182 1.00 0.00 H new ATOM 305 N ASP A 22 -15.446 6.319 -6.495 1.00 0.00 N ATOM 306 CA ASP A 22 -14.476 6.588 -7.551 1.00 0.00 C ATOM 307 C ASP A 22 -13.932 8.009 -7.440 1.00 0.00 C ATOM 308 O ASP A 22 -14.500 8.850 -6.743 1.00 0.00 O ATOM 309 CB ASP A 22 -15.116 6.380 -8.925 1.00 0.00 C ATOM 310 CG ASP A 22 -16.516 6.956 -9.005 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.642 8.188 -9.165 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.486 6.175 -8.906 1.00 0.00 O ATOM 0 H ASP A 22 -15.597 7.097 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.647 5.890 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.491 6.845 -9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.152 5.314 -9.148 1.00 0.00 H new ATOM 317 N VAL A 23 -12.826 8.269 -8.131 1.00 0.00 N ATOM 318 CA VAL A 23 -12.205 9.588 -8.110 1.00 0.00 C ATOM 319 C VAL A 23 -11.482 9.876 -9.421 1.00 0.00 C ATOM 320 O VAL A 23 -10.905 8.978 -10.034 1.00 0.00 O ATOM 321 CB VAL A 23 -11.204 9.718 -6.946 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.539 11.086 -6.964 1.00 0.00 C ATOM 323 CG2 VAL A 23 -11.900 9.473 -5.616 1.00 0.00 C ATOM 0 H VAL A 23 -12.342 7.584 -8.712 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.007 10.313 -7.973 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.429 8.962 -7.070 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.835 11.159 -6.135 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.006 11.219 -7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.299 11.861 -6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.178 9.569 -4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.696 10.205 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.325 8.469 -5.607 1.00 0.00 H new ATOM 333 N ASP A 24 -11.518 11.134 -9.846 1.00 0.00 N ATOM 334 CA ASP A 24 -10.865 11.542 -11.084 1.00 0.00 C ATOM 335 C ASP A 24 -10.533 13.030 -11.059 1.00 0.00 C ATOM 336 O ASP A 24 -11.413 13.877 -11.213 1.00 0.00 O ATOM 337 CB ASP A 24 -11.758 11.226 -12.285 1.00 0.00 C ATOM 338 CG ASP A 24 -13.129 11.863 -12.169 1.00 0.00 C ATOM 339 OD1 ASP A 24 -13.992 11.292 -11.470 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.339 12.933 -12.778 1.00 0.00 O ATOM 0 H ASP A 24 -11.993 11.889 -9.351 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.934 10.982 -11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.274 11.576 -13.197 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.869 10.146 -12.378 1.00 0.00 H new ATOM 345 N VAL A 25 -9.256 13.343 -10.862 1.00 0.00 N ATOM 346 CA VAL A 25 -8.807 14.730 -10.816 1.00 0.00 C ATOM 347 C VAL A 25 -7.376 14.861 -11.324 1.00 0.00 C ATOM 348 O VAL A 25 -6.626 13.885 -11.355 1.00 0.00 O ATOM 349 CB VAL A 25 -8.887 15.299 -9.387 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.285 15.115 -8.816 1.00 0.00 C ATOM 351 CG2 VAL A 25 -7.846 14.640 -8.493 1.00 0.00 C ATOM 0 H VAL A 25 -8.514 12.655 -10.732 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.473 15.300 -11.464 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.675 16.367 -9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.322 15.523 -7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.006 15.637 -9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.530 14.053 -8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.916 15.054 -7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.025 13.565 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.850 14.829 -8.894 1.00 0.00 H new ATOM 361 N GLN A 26 -7.003 16.074 -11.721 1.00 0.00 N ATOM 362 CA GLN A 26 -5.661 16.332 -12.229 1.00 0.00 C ATOM 363 C GLN A 26 -4.608 15.999 -11.177 1.00 0.00 C ATOM 364 O GLN A 26 -4.782 16.295 -9.996 1.00 0.00 O ATOM 365 CB GLN A 26 -5.527 17.795 -12.656 1.00 0.00 C ATOM 366 CG GLN A 26 -5.174 18.732 -11.512 1.00 0.00 C ATOM 367 CD GLN A 26 -5.683 20.143 -11.736 1.00 0.00 C ATOM 368 OE1 GLN A 26 -6.739 20.346 -12.335 1.00 0.00 O ATOM 369 NE2 GLN A 26 -4.932 21.127 -11.254 1.00 0.00 N ATOM 0 H GLN A 26 -7.611 16.893 -11.701 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.498 15.691 -13.096 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.760 17.871 -13.427 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.465 18.121 -13.106 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.593 18.341 -10.585 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.091 18.756 -11.387 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.064 20.913 -10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.224 22.097 -11.374 1.00 0.00 H new ATOM 378 N GLU A 27 -3.516 15.380 -11.615 1.00 0.00 N ATOM 379 CA GLU A 27 -2.435 15.006 -10.710 1.00 0.00 C ATOM 380 C GLU A 27 -1.998 16.197 -9.863 1.00 0.00 C ATOM 381 O GLU A 27 -2.059 17.344 -10.305 1.00 0.00 O ATOM 382 CB GLU A 27 -1.243 14.463 -11.501 1.00 0.00 C ATOM 383 CG GLU A 27 -0.359 15.549 -12.092 1.00 0.00 C ATOM 384 CD GLU A 27 0.940 15.722 -11.330 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.910 15.000 -11.640 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.987 16.580 -10.423 1.00 0.00 O ATOM 0 H GLU A 27 -3.356 15.127 -12.590 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.806 14.226 -10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.641 13.832 -10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.611 13.828 -12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.137 15.306 -13.131 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.903 16.494 -12.095 1.00 0.00 H new ATOM 393 N GLY A 28 -1.557 15.916 -8.640 1.00 0.00 N ATOM 394 CA GLY A 28 -1.116 16.974 -7.750 1.00 0.00 C ATOM 395 C GLY A 28 -2.225 17.466 -6.841 1.00 0.00 C ATOM 396 O GLY A 28 -1.964 17.979 -5.753 1.00 0.00 O ATOM 0 H GLY A 28 -1.497 14.975 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.286 16.612 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.738 17.808 -8.341 1.00 0.00 H new ATOM 400 N SER A 29 -3.467 17.311 -7.288 1.00 0.00 N ATOM 401 CA SER A 29 -4.620 17.748 -6.510 1.00 0.00 C ATOM 402 C SER A 29 -4.908 16.774 -5.371 1.00 0.00 C ATOM 403 O SER A 29 -4.161 15.821 -5.151 1.00 0.00 O ATOM 404 CB SER A 29 -5.851 17.877 -7.410 1.00 0.00 C ATOM 405 OG SER A 29 -5.680 18.912 -8.363 1.00 0.00 O ATOM 0 H SER A 29 -3.701 16.886 -8.185 1.00 0.00 H new ATOM 0 HA SER A 29 -4.389 18.723 -6.081 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.031 16.932 -7.923 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.731 18.081 -6.800 1.00 0.00 H new ATOM 0 HG SER A 29 -6.556 19.191 -8.704 1.00 0.00 H new ATOM 411 N SER A 30 -5.997 17.022 -4.650 1.00 0.00 N ATOM 412 CA SER A 30 -6.383 16.170 -3.532 1.00 0.00 C ATOM 413 C SER A 30 -7.579 15.297 -3.901 1.00 0.00 C ATOM 414 O SER A 30 -8.651 15.802 -4.234 1.00 0.00 O ATOM 415 CB SER A 30 -6.719 17.022 -2.306 1.00 0.00 C ATOM 416 OG SER A 30 -8.070 17.449 -2.336 1.00 0.00 O ATOM 0 H SER A 30 -6.627 17.806 -4.820 1.00 0.00 H new ATOM 0 HA SER A 30 -5.540 15.521 -3.295 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.536 16.447 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.061 17.890 -2.271 1.00 0.00 H new ATOM 0 HG SER A 30 -8.453 17.262 -3.219 1.00 0.00 H new ATOM 422 N ALA A 31 -7.386 13.984 -3.839 1.00 0.00 N ATOM 423 CA ALA A 31 -8.447 13.039 -4.165 1.00 0.00 C ATOM 424 C ALA A 31 -9.035 12.418 -2.902 1.00 0.00 C ATOM 425 O ALA A 31 -8.403 11.582 -2.256 1.00 0.00 O ATOM 426 CB ALA A 31 -7.922 11.955 -5.094 1.00 0.00 C ATOM 0 H ALA A 31 -6.504 13.550 -3.566 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.242 13.584 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.725 11.257 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.556 12.410 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.108 11.420 -4.605 1.00 0.00 H new ATOM 432 N THR A 32 -10.250 12.832 -2.555 1.00 0.00 N ATOM 433 CA THR A 32 -10.923 12.317 -1.369 1.00 0.00 C ATOM 434 C THR A 32 -11.519 10.939 -1.630 1.00 0.00 C ATOM 435 O THR A 32 -12.143 10.707 -2.666 1.00 0.00 O ATOM 436 CB THR A 32 -12.041 13.267 -0.901 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.497 14.562 -0.619 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.731 12.721 0.340 1.00 0.00 C ATOM 0 H THR A 32 -10.788 13.523 -3.079 1.00 0.00 H new ATOM 0 HA THR A 32 -10.169 12.241 -0.586 1.00 0.00 H new ATOM 0 HB THR A 32 -12.777 13.348 -1.701 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.214 15.161 -0.324 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.517 13.409 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.169 11.748 0.115 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.003 12.614 1.144 1.00 0.00 H new ATOM 446 N PHE A 33 -11.325 10.026 -0.684 1.00 0.00 N ATOM 447 CA PHE A 33 -11.844 8.669 -0.812 1.00 0.00 C ATOM 448 C PHE A 33 -12.626 8.267 0.435 1.00 0.00 C ATOM 449 O PHE A 33 -12.064 7.715 1.382 1.00 0.00 O ATOM 450 CB PHE A 33 -10.699 7.683 -1.050 1.00 0.00 C ATOM 451 CG PHE A 33 -10.262 7.607 -2.485 1.00 0.00 C ATOM 452 CD1 PHE A 33 -10.936 6.798 -3.386 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.178 8.344 -2.933 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.537 6.726 -4.708 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.775 8.277 -4.254 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.455 7.465 -5.142 1.00 0.00 C ATOM 0 H PHE A 33 -10.812 10.201 0.180 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.519 8.643 -1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.847 7.972 -0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.009 6.692 -0.720 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.783 6.217 -3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.642 8.978 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.071 6.092 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.930 8.859 -4.592 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.140 7.409 -6.174 1.00 0.00 H new ATOM 466 N ARG A 34 -13.925 8.547 0.428 1.00 0.00 N ATOM 467 CA ARG A 34 -14.784 8.216 1.558 1.00 0.00 C ATOM 468 C ARG A 34 -15.206 6.750 1.510 1.00 0.00 C ATOM 469 O ARG A 34 -15.225 6.135 0.443 1.00 0.00 O ATOM 470 CB ARG A 34 -16.023 9.114 1.564 1.00 0.00 C ATOM 471 CG ARG A 34 -16.358 9.680 2.935 1.00 0.00 C ATOM 472 CD ARG A 34 -17.481 10.702 2.856 1.00 0.00 C ATOM 473 NE ARG A 34 -16.977 12.072 2.879 1.00 0.00 N ATOM 474 CZ ARG A 34 -17.714 13.131 2.562 1.00 0.00 C ATOM 475 NH1 ARG A 34 -18.980 12.978 2.200 1.00 0.00 N ATOM 476 NH2 ARG A 34 -17.184 14.347 2.607 1.00 0.00 N ATOM 0 H ARG A 34 -14.406 9.002 -0.348 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.217 8.383 2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.867 9.938 0.868 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -16.876 8.544 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.648 8.870 3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.471 10.145 3.365 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.053 10.542 1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.166 10.554 3.691 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.006 12.224 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.391 12.045 2.164 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.543 13.793 1.957 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.210 14.469 2.885 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.750 15.160 2.363 1.00 0.00 H new ATOM 490 N CYS A 35 -15.541 6.198 2.670 1.00 0.00 N ATOM 491 CA CYS A 35 -15.961 4.804 2.761 1.00 0.00 C ATOM 492 C CYS A 35 -16.478 4.482 4.159 1.00 0.00 C ATOM 493 O CYS A 35 -15.959 4.986 5.155 1.00 0.00 O ATOM 494 CB CYS A 35 -14.799 3.876 2.407 1.00 0.00 C ATOM 495 SG CYS A 35 -13.466 3.864 3.629 1.00 0.00 S ATOM 0 H CYS A 35 -15.530 6.694 3.561 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.771 4.647 2.049 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.180 2.862 2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.390 4.175 1.442 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.188 5.085 3.980 1.00 0.00 H new ATOM 501 N ARG A 36 -17.505 3.640 4.225 1.00 0.00 N ATOM 502 CA ARG A 36 -18.094 3.253 5.501 1.00 0.00 C ATOM 503 C ARG A 36 -17.854 1.772 5.783 1.00 0.00 C ATOM 504 O ARG A 36 -18.385 0.904 5.090 1.00 0.00 O ATOM 505 CB ARG A 36 -19.595 3.547 5.504 1.00 0.00 C ATOM 506 CG ARG A 36 -20.162 3.812 6.889 1.00 0.00 C ATOM 507 CD ARG A 36 -21.682 3.805 6.880 1.00 0.00 C ATOM 508 NE ARG A 36 -22.237 3.681 8.226 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.497 3.970 8.530 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.329 4.396 7.590 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.928 3.832 9.778 1.00 0.00 N ATOM 0 H ARG A 36 -17.946 3.213 3.410 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.615 3.837 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.788 4.412 4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.123 2.703 5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.798 3.055 7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.804 4.775 7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.046 4.724 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.037 2.979 6.264 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.623 3.355 8.973 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.002 4.503 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.296 4.617 7.827 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.291 3.504 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.896 4.054 10.011 1.00 0.00 H new ATOM 525 N ILE A 37 -17.052 1.493 6.805 1.00 0.00 N ATOM 526 CA ILE A 37 -16.743 0.118 7.179 1.00 0.00 C ATOM 527 C ILE A 37 -16.999 -0.118 8.663 1.00 0.00 C ATOM 528 O ILE A 37 -16.568 0.664 9.511 1.00 0.00 O ATOM 529 CB ILE A 37 -15.278 -0.236 6.859 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.328 0.628 7.691 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.002 -0.057 5.374 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.766 -0.085 8.901 1.00 0.00 C ATOM 0 H ILE A 37 -16.605 2.200 7.388 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.400 -0.525 6.593 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.108 -1.281 7.117 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.504 0.959 7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.857 1.522 8.020 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.963 -0.311 5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.659 -0.711 4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.186 0.980 5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.101 0.587 9.443 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.583 -0.393 9.554 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.208 -0.964 8.579 1.00 0.00 H new ATOM 544 N SER A 38 -17.702 -1.203 8.971 1.00 0.00 N ATOM 545 CA SER A 38 -18.018 -1.543 10.354 1.00 0.00 C ATOM 546 C SER A 38 -16.956 -2.467 10.942 1.00 0.00 C ATOM 547 O SER A 38 -16.300 -3.231 10.234 1.00 0.00 O ATOM 548 CB SER A 38 -19.393 -2.209 10.437 1.00 0.00 C ATOM 549 OG SER A 38 -19.438 -3.155 11.490 1.00 0.00 O ATOM 0 H SER A 38 -18.064 -1.862 8.282 1.00 0.00 H new ATOM 0 HA SER A 38 -18.034 -0.621 10.934 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.159 -1.450 10.593 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.620 -2.702 9.491 1.00 0.00 H new ATOM 0 HG SER A 38 -20.327 -3.566 11.523 1.00 0.00 H new ATOM 555 N PRO A 39 -16.782 -2.397 12.270 1.00 0.00 N ATOM 556 CA PRO A 39 -17.556 -1.490 13.124 1.00 0.00 C ATOM 557 C PRO A 39 -17.189 -0.028 12.899 1.00 0.00 C ATOM 558 O PRO A 39 -16.209 0.279 12.221 1.00 0.00 O ATOM 559 CB PRO A 39 -17.176 -1.926 14.541 1.00 0.00 C ATOM 560 CG PRO A 39 -15.829 -2.547 14.398 1.00 0.00 C ATOM 561 CD PRO A 39 -15.815 -3.196 13.041 1.00 0.00 C ATOM 0 HA PRO A 39 -18.625 -1.549 12.918 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.150 -1.076 15.223 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.898 -2.636 14.944 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.043 -1.797 14.480 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.652 -3.281 15.184 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.822 -3.167 12.592 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.111 -4.244 13.094 1.00 0.00 H new ATOM 569 N ALA A 40 -17.981 0.872 13.474 1.00 0.00 N ATOM 570 CA ALA A 40 -17.737 2.302 13.339 1.00 0.00 C ATOM 571 C ALA A 40 -16.574 2.747 14.220 1.00 0.00 C ATOM 572 O ALA A 40 -16.166 3.907 14.186 1.00 0.00 O ATOM 573 CB ALA A 40 -18.993 3.087 13.684 1.00 0.00 C ATOM 0 H ALA A 40 -18.797 0.635 14.038 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.470 2.503 12.301 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.796 4.154 13.579 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.799 2.799 13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.286 2.872 14.712 1.00 0.00 H new ATOM 579 N ASN A 41 -16.046 1.816 15.009 1.00 0.00 N ATOM 580 CA ASN A 41 -14.931 2.113 15.900 1.00 0.00 C ATOM 581 C ASN A 41 -13.706 1.281 15.535 1.00 0.00 C ATOM 582 O ASN A 41 -12.903 0.927 16.399 1.00 0.00 O ATOM 583 CB ASN A 41 -15.328 1.846 17.354 1.00 0.00 C ATOM 584 CG ASN A 41 -14.383 2.504 18.341 1.00 0.00 C ATOM 585 OD1 ASN A 41 -13.702 1.826 19.111 1.00 0.00 O ATOM 586 ND2 ASN A 41 -14.339 3.831 18.323 1.00 0.00 N ATOM 0 H ASN A 41 -16.373 0.851 15.049 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.679 3.167 15.787 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.340 2.212 17.525 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -15.344 0.771 17.532 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.723 4.330 18.965 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.921 4.352 17.667 1.00 0.00 H new ATOM 593 N TYR A 42 -13.568 0.973 14.250 1.00 0.00 N ATOM 594 CA TYR A 42 -12.442 0.181 13.770 1.00 0.00 C ATOM 595 C TYR A 42 -11.273 1.079 13.376 1.00 0.00 C ATOM 596 O TYR A 42 -11.441 2.042 12.629 1.00 0.00 O ATOM 597 CB TYR A 42 -12.866 -0.675 12.576 1.00 0.00 C ATOM 598 CG TYR A 42 -11.829 -1.695 12.163 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.678 -1.310 11.486 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.999 -3.044 12.450 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.728 -2.238 11.107 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.054 -3.979 12.075 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.920 -3.571 11.404 1.00 0.00 C ATOM 604 OH TYR A 42 -8.976 -4.499 11.028 1.00 0.00 O ATOM 0 H TYR A 42 -14.222 1.260 13.522 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.118 -0.472 14.580 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.794 -1.192 12.821 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.079 -0.022 11.729 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.524 -0.267 11.252 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.886 -3.367 12.975 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.840 -1.922 10.581 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.202 -5.024 12.306 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.263 -5.392 11.314 1.00 0.00 H new ATOM 614 N GLU A 43 -10.089 0.755 13.885 1.00 0.00 N ATOM 615 CA GLU A 43 -8.891 1.532 13.586 1.00 0.00 C ATOM 616 C GLU A 43 -7.677 0.960 14.313 1.00 0.00 C ATOM 617 O GLU A 43 -7.797 0.229 15.295 1.00 0.00 O ATOM 618 CB GLU A 43 -9.094 2.996 13.983 1.00 0.00 C ATOM 619 CG GLU A 43 -9.965 3.177 15.215 1.00 0.00 C ATOM 620 CD GLU A 43 -9.626 4.436 15.989 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.639 4.415 16.754 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.347 5.443 15.829 1.00 0.00 O ATOM 0 H GLU A 43 -9.933 -0.039 14.506 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.710 1.476 12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.121 3.452 14.166 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.545 3.531 13.147 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.012 3.211 14.913 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.849 2.312 15.868 1.00 0.00 H new ATOM 629 N PRO A 44 -6.478 1.301 13.818 1.00 0.00 N ATOM 630 CA PRO A 44 -6.322 2.171 12.648 1.00 0.00 C ATOM 631 C PRO A 44 -6.771 1.493 11.358 1.00 0.00 C ATOM 632 O PRO A 44 -7.153 0.323 11.360 1.00 0.00 O ATOM 633 CB PRO A 44 -4.817 2.449 12.610 1.00 0.00 C ATOM 634 CG PRO A 44 -4.200 1.284 13.303 1.00 0.00 C ATOM 635 CD PRO A 44 -5.181 0.863 14.362 1.00 0.00 C ATOM 0 HA PRO A 44 -6.933 3.070 12.725 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.456 2.537 11.585 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.574 3.384 13.115 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.009 0.471 12.603 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.242 1.556 13.745 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.157 -0.214 14.527 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.966 1.337 15.320 1.00 0.00 H new ATOM 643 N VAL A 45 -6.722 2.236 10.257 1.00 0.00 N ATOM 644 CA VAL A 45 -7.123 1.706 8.959 1.00 0.00 C ATOM 645 C VAL A 45 -5.946 1.678 7.990 1.00 0.00 C ATOM 646 O VAL A 45 -5.014 2.476 8.104 1.00 0.00 O ATOM 647 CB VAL A 45 -8.262 2.538 8.340 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.587 2.212 9.014 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.954 4.024 8.443 1.00 0.00 C ATOM 0 H VAL A 45 -6.409 3.206 10.238 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.476 0.689 9.128 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.345 2.280 7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.381 2.809 8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.811 1.153 8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.520 2.440 10.078 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.770 4.596 8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.843 4.301 9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.028 4.241 7.911 1.00 0.00 H new ATOM 659 N HIS A 46 -5.994 0.754 7.035 1.00 0.00 N ATOM 660 CA HIS A 46 -4.932 0.622 6.045 1.00 0.00 C ATOM 661 C HIS A 46 -5.429 1.024 4.659 1.00 0.00 C ATOM 662 O HIS A 46 -6.569 0.740 4.292 1.00 0.00 O ATOM 663 CB HIS A 46 -4.409 -0.814 6.015 1.00 0.00 C ATOM 664 CG HIS A 46 -4.029 -1.341 7.365 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.394 -0.576 8.320 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.201 -2.564 7.918 1.00 0.00 C ATOM 667 CE1 HIS A 46 -3.189 -1.307 9.402 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.670 -2.517 9.184 1.00 0.00 N ATOM 0 H HIS A 46 -6.757 0.086 6.926 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.119 1.290 6.329 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.172 -1.461 5.583 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.541 -0.862 5.358 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.669 -3.418 7.451 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.710 -0.972 10.310 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.650 -3.291 9.848 1.00 0.00 H new ATOM 676 N TRP A 47 -4.566 1.685 3.896 1.00 0.00 N ATOM 677 CA TRP A 47 -4.918 2.126 2.551 1.00 0.00 C ATOM 678 C TRP A 47 -3.808 1.792 1.560 1.00 0.00 C ATOM 679 O TRP A 47 -2.625 1.962 1.858 1.00 0.00 O ATOM 680 CB TRP A 47 -5.192 3.631 2.540 1.00 0.00 C ATOM 681 CG TRP A 47 -6.403 4.019 3.333 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.491 4.136 4.691 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.699 4.340 2.816 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.764 4.510 5.049 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.524 4.643 3.917 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.242 4.403 1.530 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.861 5.001 3.769 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.570 4.759 1.385 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.367 5.055 2.499 1.00 0.00 C ATOM 0 H TRP A 47 -3.618 1.927 4.185 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.822 1.597 2.248 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.323 4.154 2.938 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.320 3.963 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.680 3.960 5.382 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.090 4.664 6.003 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.635 4.178 0.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.477 5.228 4.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -10.001 4.810 0.396 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.401 5.331 2.352 1.00 0.00 H new ATOM 700 N PHE A 48 -4.196 1.316 0.382 1.00 0.00 N ATOM 701 CA PHE A 48 -3.232 0.957 -0.652 1.00 0.00 C ATOM 702 C PHE A 48 -3.667 1.497 -2.012 1.00 0.00 C ATOM 703 O PHE A 48 -4.830 1.853 -2.208 1.00 0.00 O ATOM 704 CB PHE A 48 -3.069 -0.563 -0.722 1.00 0.00 C ATOM 705 CG PHE A 48 -2.605 -1.176 0.568 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.505 -1.434 1.590 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.271 -1.496 0.758 1.00 0.00 C ATOM 708 CE1 PHE A 48 -3.080 -1.997 2.779 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.841 -2.060 1.944 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.747 -2.312 2.956 1.00 0.00 C ATOM 0 H PHE A 48 -5.171 1.170 0.119 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.274 1.406 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.022 -1.010 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.356 -0.808 -1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.549 -1.193 1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.558 -1.302 -0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.790 -2.190 3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.202 -2.304 2.080 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.414 -2.754 3.883 1.00 0.00 H new ATOM 720 N LEU A 49 -2.726 1.554 -2.947 1.00 0.00 N ATOM 721 CA LEU A 49 -3.010 2.051 -4.289 1.00 0.00 C ATOM 722 C LEU A 49 -2.279 1.224 -5.342 1.00 0.00 C ATOM 723 O LEU A 49 -1.071 1.370 -5.531 1.00 0.00 O ATOM 724 CB LEU A 49 -2.605 3.521 -4.407 1.00 0.00 C ATOM 725 CG LEU A 49 -2.814 4.167 -5.777 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.574 3.999 -6.641 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.032 3.572 -6.467 1.00 0.00 C ATOM 0 H LEU A 49 -1.760 1.262 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.082 1.961 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.167 4.092 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.551 3.609 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.989 5.233 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.741 4.465 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.723 4.474 -6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.367 2.938 -6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.165 4.044 -7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.887 2.500 -6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.918 3.745 -5.856 1.00 0.00 H new ATOM 739 N ASP A 50 -3.019 0.359 -6.026 1.00 0.00 N ATOM 740 CA ASP A 50 -2.441 -0.489 -7.063 1.00 0.00 C ATOM 741 C ASP A 50 -1.477 -1.505 -6.459 1.00 0.00 C ATOM 742 O ASP A 50 -1.822 -2.674 -6.279 1.00 0.00 O ATOM 743 CB ASP A 50 -1.716 0.365 -8.104 1.00 0.00 C ATOM 744 CG ASP A 50 -2.463 0.430 -9.422 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.695 0.224 -9.415 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.816 0.685 -10.459 1.00 0.00 O ATOM 0 H ASP A 50 -4.020 0.226 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.252 -1.030 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.585 1.374 -7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.720 -0.043 -8.274 1.00 0.00 H new ATOM 751 N LYS A 51 -0.267 -1.053 -6.148 1.00 0.00 N ATOM 752 CA LYS A 51 0.748 -1.922 -5.565 1.00 0.00 C ATOM 753 C LYS A 51 1.667 -1.136 -4.634 1.00 0.00 C ATOM 754 O LYS A 51 2.878 -1.356 -4.609 1.00 0.00 O ATOM 755 CB LYS A 51 1.572 -2.590 -6.667 1.00 0.00 C ATOM 756 CG LYS A 51 0.760 -3.514 -7.558 1.00 0.00 C ATOM 757 CD LYS A 51 0.316 -4.761 -6.811 1.00 0.00 C ATOM 758 CE LYS A 51 -1.031 -5.260 -7.312 1.00 0.00 C ATOM 759 NZ LYS A 51 -0.885 -6.422 -8.231 1.00 0.00 N ATOM 0 H LYS A 51 0.035 -0.089 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 51 0.241 -2.691 -4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.033 -1.818 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.382 -3.159 -6.210 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.115 -2.983 -7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.355 -3.801 -8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.064 -5.545 -6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.251 -4.544 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.652 -5.545 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.549 -4.452 -7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.825 -6.732 -8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.314 -6.144 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.414 -7.203 -7.731 1.00 0.00 H new ATOM 773 N THR A 52 1.083 -0.219 -3.869 1.00 0.00 N ATOM 774 CA THR A 52 1.849 0.599 -2.937 1.00 0.00 C ATOM 775 C THR A 52 0.966 1.118 -1.808 1.00 0.00 C ATOM 776 O THR A 52 -0.115 1.663 -2.033 1.00 0.00 O ATOM 777 CB THR A 52 2.508 1.795 -3.650 1.00 0.00 C ATOM 778 OG1 THR A 52 3.260 1.338 -4.780 1.00 0.00 O ATOM 779 CG2 THR A 52 3.422 2.554 -2.700 1.00 0.00 C ATOM 0 H THR A 52 0.082 -0.024 -3.877 1.00 0.00 H new ATOM 0 HA THR A 52 2.628 -0.040 -2.521 1.00 0.00 H new ATOM 0 HB THR A 52 1.720 2.468 -3.987 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.674 2.104 -5.229 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.876 3.394 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.841 2.925 -1.856 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.204 1.887 -2.337 1.00 0.00 H new ATOM 787 N PRO A 53 1.435 0.948 -0.563 1.00 0.00 N ATOM 788 CA PRO A 53 0.704 1.394 0.626 1.00 0.00 C ATOM 789 C PRO A 53 0.663 2.914 0.745 1.00 0.00 C ATOM 790 O PRO A 53 1.519 3.613 0.202 1.00 0.00 O ATOM 791 CB PRO A 53 1.504 0.789 1.782 1.00 0.00 C ATOM 792 CG PRO A 53 2.881 0.617 1.241 1.00 0.00 C ATOM 793 CD PRO A 53 2.716 0.306 -0.221 1.00 0.00 C ATOM 0 HA PRO A 53 -0.340 1.082 0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.500 1.445 2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.082 -0.164 2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.472 1.522 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.404 -0.189 1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.538 0.709 -0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.688 -0.768 -0.403 1.00 0.00 H new ATOM 801 N LEU A 54 -0.337 3.420 1.458 1.00 0.00 N ATOM 802 CA LEU A 54 -0.490 4.858 1.649 1.00 0.00 C ATOM 803 C LEU A 54 -0.684 5.194 3.124 1.00 0.00 C ATOM 804 O LEU A 54 -1.500 4.578 3.810 1.00 0.00 O ATOM 805 CB LEU A 54 -1.677 5.377 0.835 1.00 0.00 C ATOM 806 CG LEU A 54 -1.634 5.097 -0.667 1.00 0.00 C ATOM 807 CD1 LEU A 54 -3.038 4.882 -1.210 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.945 6.237 -1.402 1.00 0.00 C ATOM 0 H LEU A 54 -1.054 2.856 1.914 1.00 0.00 H new ATOM 0 HA LEU A 54 0.421 5.345 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.589 4.939 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.749 6.455 0.982 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.059 4.185 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.988 4.684 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.497 4.032 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.637 5.776 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.923 6.021 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.492 7.164 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.075 6.344 -1.033 1.00 0.00 H new ATOM 820 N HIS A 55 0.070 6.177 3.606 1.00 0.00 N ATOM 821 CA HIS A 55 -0.021 6.598 4.999 1.00 0.00 C ATOM 822 C HIS A 55 0.088 8.115 5.117 1.00 0.00 C ATOM 823 O HIS A 55 0.785 8.760 4.334 1.00 0.00 O ATOM 824 CB HIS A 55 1.076 5.930 5.828 1.00 0.00 C ATOM 825 CG HIS A 55 1.215 4.462 5.567 1.00 0.00 C ATOM 826 ND1 HIS A 55 0.236 3.545 5.885 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.226 3.753 5.012 1.00 0.00 C ATOM 828 CE1 HIS A 55 0.640 2.335 5.539 1.00 0.00 C ATOM 829 NE2 HIS A 55 1.844 2.434 5.006 1.00 0.00 N ATOM 0 H HIS A 55 0.751 6.697 3.052 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.994 6.291 5.383 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.027 6.419 5.618 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.865 6.084 6.886 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.160 4.151 4.643 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.080 1.421 5.670 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.400 1.657 4.648 1.00 0.00 H new ATOM 837 N ALA A 56 -0.607 8.679 6.100 1.00 0.00 N ATOM 838 CA ALA A 56 -0.587 10.119 6.321 1.00 0.00 C ATOM 839 C ALA A 56 0.836 10.621 6.542 1.00 0.00 C ATOM 840 O ALA A 56 1.462 10.315 7.555 1.00 0.00 O ATOM 841 CB ALA A 56 -1.467 10.484 7.507 1.00 0.00 C ATOM 0 H ALA A 56 -1.191 8.160 6.756 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.981 10.604 5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.442 11.563 7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.492 10.169 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.098 9.982 8.402 1.00 0.00 H new ATOM 847 N ASN A 57 1.341 11.394 5.585 1.00 0.00 N ATOM 848 CA ASN A 57 2.691 11.937 5.675 1.00 0.00 C ATOM 849 C ASN A 57 2.766 13.319 5.032 1.00 0.00 C ATOM 850 O ASN A 57 3.239 13.464 3.905 1.00 0.00 O ATOM 851 CB ASN A 57 3.689 10.994 5.000 1.00 0.00 C ATOM 852 CG ASN A 57 3.966 9.755 5.831 1.00 0.00 C ATOM 853 OD1 ASN A 57 4.547 9.837 6.913 1.00 0.00 O ATOM 854 ND2 ASN A 57 3.549 8.600 5.326 1.00 0.00 N ATOM 0 H ASN A 57 0.836 11.658 4.739 1.00 0.00 H new ATOM 0 HA ASN A 57 2.947 12.032 6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.301 10.696 4.026 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.624 11.525 4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.706 7.733 5.839 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.071 8.580 4.425 1.00 0.00 H new ATOM 861 N GLU A 58 2.296 14.329 5.757 1.00 0.00 N ATOM 862 CA GLU A 58 2.309 15.699 5.256 1.00 0.00 C ATOM 863 C GLU A 58 1.242 15.896 4.183 1.00 0.00 C ATOM 864 O GLU A 58 0.299 16.667 4.363 1.00 0.00 O ATOM 865 CB GLU A 58 3.688 16.045 4.690 1.00 0.00 C ATOM 866 CG GLU A 58 4.018 17.527 4.754 1.00 0.00 C ATOM 867 CD GLU A 58 4.496 17.958 6.127 1.00 0.00 C ATOM 868 OE1 GLU A 58 4.077 17.336 7.125 1.00 0.00 O ATOM 869 OE2 GLU A 58 5.291 18.919 6.202 1.00 0.00 O ATOM 0 H GLU A 58 1.902 14.225 6.692 1.00 0.00 H new ATOM 0 HA GLU A 58 2.089 16.366 6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.447 15.488 5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.739 15.715 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.787 17.757 4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.134 18.105 4.483 1.00 0.00 H new ATOM 876 N LEU A 59 1.399 15.195 3.065 1.00 0.00 N ATOM 877 CA LEU A 59 0.450 15.292 1.962 1.00 0.00 C ATOM 878 C LEU A 59 -0.752 14.382 2.195 1.00 0.00 C ATOM 879 O LEU A 59 -1.886 14.849 2.299 1.00 0.00 O ATOM 880 CB LEU A 59 1.132 14.926 0.643 1.00 0.00 C ATOM 881 CG LEU A 59 2.503 15.559 0.398 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.291 14.748 -0.619 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.349 16.999 -0.069 1.00 0.00 C ATOM 0 H LEU A 59 2.174 14.554 2.899 1.00 0.00 H new ATOM 0 HA LEU A 59 0.098 16.322 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.242 13.842 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.471 15.210 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 59 3.055 15.560 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.263 15.213 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.432 13.734 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.744 14.715 -1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.334 17.434 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.778 17.021 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.825 17.575 0.694 1.00 0.00 H new ATOM 895 N ASN A 60 -0.495 13.081 2.278 1.00 0.00 N ATOM 896 CA ASN A 60 -1.556 12.105 2.501 1.00 0.00 C ATOM 897 C ASN A 60 -2.367 12.458 3.744 1.00 0.00 C ATOM 898 O ASN A 60 -1.811 12.661 4.823 1.00 0.00 O ATOM 899 CB ASN A 60 -0.965 10.701 2.645 1.00 0.00 C ATOM 900 CG ASN A 60 -0.447 10.154 1.329 1.00 0.00 C ATOM 901 OD1 ASN A 60 -0.376 10.871 0.331 1.00 0.00 O ATOM 902 ND2 ASN A 60 -0.084 8.876 1.322 1.00 0.00 N ATOM 0 H ASN A 60 0.438 12.678 2.194 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.221 12.125 1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.152 10.725 3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.726 10.028 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.271 8.451 0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.160 8.320 2.173 1.00 0.00 H new ATOM 909 N GLU A 61 -3.685 12.527 3.584 1.00 0.00 N ATOM 910 CA GLU A 61 -4.572 12.855 4.694 1.00 0.00 C ATOM 911 C GLU A 61 -5.534 11.706 4.980 1.00 0.00 C ATOM 912 O GLU A 61 -6.160 11.165 4.068 1.00 0.00 O ATOM 913 CB GLU A 61 -5.360 14.130 4.386 1.00 0.00 C ATOM 914 CG GLU A 61 -5.444 15.092 5.559 1.00 0.00 C ATOM 915 CD GLU A 61 -6.646 14.830 6.445 1.00 0.00 C ATOM 916 OE1 GLU A 61 -7.701 14.429 5.911 1.00 0.00 O ATOM 917 OE2 GLU A 61 -6.530 15.024 7.674 1.00 0.00 O ATOM 0 H GLU A 61 -4.161 12.360 2.698 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.958 13.020 5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.895 14.639 3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.369 13.858 4.077 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.535 15.013 6.155 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.491 16.114 5.183 1.00 0.00 H new ATOM 924 N ILE A 62 -5.645 11.338 6.252 1.00 0.00 N ATOM 925 CA ILE A 62 -6.531 10.254 6.658 1.00 0.00 C ATOM 926 C ILE A 62 -7.312 10.623 7.915 1.00 0.00 C ATOM 927 O ILE A 62 -6.764 10.638 9.017 1.00 0.00 O ATOM 928 CB ILE A 62 -5.747 8.954 6.918 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.064 8.479 5.634 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.673 7.876 7.462 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.593 8.170 5.811 1.00 0.00 C ATOM 0 H ILE A 62 -5.133 11.774 7.019 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.227 10.091 5.835 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.978 9.154 7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.573 7.587 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.176 9.246 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.104 6.964 7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.117 8.216 8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.463 7.675 6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.174 7.839 4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.071 9.066 6.146 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.474 7.382 6.554 1.00 0.00 H new ATOM 943 N ASP A 63 -8.595 10.919 7.741 1.00 0.00 N ATOM 944 CA ASP A 63 -9.454 11.285 8.861 1.00 0.00 C ATOM 945 C ASP A 63 -10.307 10.100 9.303 1.00 0.00 C ATOM 946 O ASP A 63 -10.239 9.021 8.716 1.00 0.00 O ATOM 947 CB ASP A 63 -10.353 12.462 8.479 1.00 0.00 C ATOM 948 CG ASP A 63 -10.271 13.601 9.476 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.991 13.332 10.663 1.00 0.00 O ATOM 950 OD2 ASP A 63 -10.487 14.761 9.069 1.00 0.00 O ATOM 0 H ASP A 63 -9.063 10.913 6.835 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.816 11.580 9.694 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.070 12.826 7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.385 12.119 8.408 1.00 0.00 H new ATOM 955 N ALA A 64 -11.107 10.309 10.343 1.00 0.00 N ATOM 956 CA ALA A 64 -11.974 9.258 10.863 1.00 0.00 C ATOM 957 C ALA A 64 -13.324 9.822 11.293 1.00 0.00 C ATOM 958 O ALA A 64 -13.636 9.870 12.482 1.00 0.00 O ATOM 959 CB ALA A 64 -11.301 8.549 12.029 1.00 0.00 C ATOM 0 H ALA A 64 -11.173 11.196 10.842 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.149 8.537 10.064 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.959 7.767 12.408 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.364 8.104 11.693 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.097 9.267 12.823 1.00 0.00 H new ATOM 965 N GLN A 65 -14.119 10.249 10.317 1.00 0.00 N ATOM 966 CA GLN A 65 -15.435 10.811 10.595 1.00 0.00 C ATOM 967 C GLN A 65 -16.265 9.857 11.448 1.00 0.00 C ATOM 968 O GLN A 65 -15.991 8.659 11.528 1.00 0.00 O ATOM 969 CB GLN A 65 -16.169 11.117 9.289 1.00 0.00 C ATOM 970 CG GLN A 65 -15.891 12.509 8.746 1.00 0.00 C ATOM 971 CD GLN A 65 -16.504 12.736 7.378 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.614 12.281 7.100 1.00 0.00 O ATOM 973 NE2 GLN A 65 -15.783 13.442 6.516 1.00 0.00 N ATOM 0 H GLN A 65 -13.875 10.216 9.327 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.296 11.739 11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.882 10.380 8.539 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.241 11.007 9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.282 13.251 9.442 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.814 12.663 8.687 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.868 13.800 6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.144 13.627 5.580 1.00 0.00 H new ATOM 982 N PRO A 66 -17.305 10.398 12.100 1.00 0.00 N ATOM 983 CA PRO A 66 -18.197 9.612 12.958 1.00 0.00 C ATOM 984 C PRO A 66 -19.072 8.651 12.160 1.00 0.00 C ATOM 985 O PRO A 66 -19.587 9.002 11.099 1.00 0.00 O ATOM 986 CB PRO A 66 -19.058 10.675 13.644 1.00 0.00 C ATOM 987 CG PRO A 66 -19.042 11.836 12.709 1.00 0.00 C ATOM 988 CD PRO A 66 -17.690 11.818 12.050 1.00 0.00 C ATOM 0 HA PRO A 66 -17.642 8.981 13.652 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.073 10.315 13.811 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.651 10.946 14.618 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.838 11.752 11.969 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.202 12.771 13.245 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.738 12.186 11.025 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.976 12.447 12.581 1.00 0.00 H new ATOM 996 N GLY A 67 -19.236 7.438 12.677 1.00 0.00 N ATOM 997 CA GLY A 67 -20.049 6.446 11.999 1.00 0.00 C ATOM 998 C GLY A 67 -19.222 5.497 11.154 1.00 0.00 C ATOM 999 O GLY A 67 -19.749 4.824 10.269 1.00 0.00 O ATOM 0 H GLY A 67 -18.820 7.124 13.554 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.610 5.874 12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.778 6.950 11.365 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.922 5.444 11.426 1.00 0.00 N ATOM 1004 CA GLY A 68 -17.042 4.570 10.674 1.00 0.00 C ATOM 1005 C GLY A 68 -16.778 5.080 9.272 1.00 0.00 C ATOM 1006 O GLY A 68 -16.669 4.295 8.328 1.00 0.00 O ATOM 0 H GLY A 68 -17.463 5.991 12.154 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.095 4.469 11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.484 3.575 10.618 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.676 6.397 9.132 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.428 7.011 7.833 1.00 0.00 C ATOM 1012 C TYR A 69 -14.967 7.430 7.699 1.00 0.00 C ATOM 1013 O TYR A 69 -14.582 8.524 8.114 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.338 8.224 7.637 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.725 7.868 7.153 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.699 7.423 8.038 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.063 7.978 5.809 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.967 7.096 7.600 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -20.329 7.655 5.362 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.278 7.214 6.261 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.541 6.890 5.820 1.00 0.00 O ATOM 0 H TYR A 69 -16.761 7.060 9.902 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.648 6.272 7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.419 8.763 8.581 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.875 8.903 6.921 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.460 7.331 9.087 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -18.322 8.322 5.102 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -21.711 6.750 8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -20.575 7.747 4.314 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.568 6.937 4.841 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.157 6.552 7.116 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.738 6.830 6.925 1.00 0.00 C ATOM 1033 C HIS A 70 -12.503 7.589 5.623 1.00 0.00 C ATOM 1034 O HIS A 70 -12.757 7.070 4.536 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.937 5.527 6.922 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.078 4.734 8.184 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.434 5.066 9.357 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.796 3.619 8.453 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.748 4.188 10.293 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.574 3.300 9.770 1.00 0.00 N ATOM 0 H HIS A 70 -14.459 5.642 6.768 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.401 7.453 7.753 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.259 4.914 6.080 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.884 5.758 6.764 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.812 5.865 9.483 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.426 3.080 7.761 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.390 4.195 11.312 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.019 8.821 5.740 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.750 9.651 4.572 1.00 0.00 C ATOM 1050 C VAL A 71 -10.258 9.695 4.261 1.00 0.00 C ATOM 1051 O VAL A 71 -9.430 9.858 5.158 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.263 11.089 4.776 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.169 11.878 3.479 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.691 11.075 5.299 1.00 0.00 C ATOM 0 H VAL A 71 -11.805 9.267 6.632 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.280 9.199 3.733 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.633 11.580 5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.536 12.891 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.130 11.916 3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.774 11.392 2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.038 12.099 5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.336 10.567 4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.724 10.549 6.253 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.921 9.550 2.984 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.528 9.573 2.553 1.00 0.00 C ATOM 1066 C LEU A 72 -8.309 10.632 1.477 1.00 0.00 C ATOM 1067 O LEU A 72 -8.675 10.439 0.317 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.113 8.199 2.025 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.708 8.104 1.429 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.690 7.782 2.512 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.666 7.057 0.326 1.00 0.00 C ATOM 0 H LEU A 72 -10.594 9.415 2.229 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.911 9.824 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.189 7.481 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.830 7.893 1.263 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.452 9.070 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.696 7.718 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.701 8.568 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.942 6.829 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.658 7.003 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.943 6.086 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.367 7.331 -0.463 1.00 0.00 H new ATOM 1083 N THR A 73 -7.707 11.751 1.868 1.00 0.00 N ATOM 1084 CA THR A 73 -7.438 12.839 0.937 1.00 0.00 C ATOM 1085 C THR A 73 -5.970 12.859 0.524 1.00 0.00 C ATOM 1086 O THR A 73 -5.135 13.470 1.192 1.00 0.00 O ATOM 1087 CB THR A 73 -7.806 14.205 1.548 1.00 0.00 C ATOM 1088 OG1 THR A 73 -9.043 14.105 2.261 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.922 15.268 0.467 1.00 0.00 C ATOM 0 H THR A 73 -7.397 11.927 2.824 1.00 0.00 H new ATOM 0 HA THR A 73 -8.058 12.663 0.058 1.00 0.00 H new ATOM 0 HB THR A 73 -7.013 14.496 2.237 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.269 14.977 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.182 16.223 0.923 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.969 15.362 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.697 14.981 -0.243 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.663 12.189 -0.581 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.295 12.130 -1.084 1.00 0.00 C ATOM 1099 C LEU A 74 -3.934 13.410 -1.831 1.00 0.00 C ATOM 1100 O LEU A 74 -4.318 13.596 -2.986 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.121 10.922 -2.007 1.00 0.00 C ATOM 1102 CG LEU A 74 -4.139 9.552 -1.328 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.558 8.473 -2.314 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.774 9.234 -0.734 1.00 0.00 C ATOM 0 H LEU A 74 -6.342 11.679 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.625 12.027 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.913 10.945 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.176 11.029 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.869 9.578 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.565 7.505 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.556 8.693 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.853 8.446 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.805 8.256 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.025 9.227 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.513 9.992 0.005 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.192 14.289 -1.165 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.779 15.551 -1.766 1.00 0.00 C ATOM 1118 C ARG A 75 -1.456 15.392 -2.509 1.00 0.00 C ATOM 1119 O ARG A 75 -0.697 14.458 -2.250 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.646 16.633 -0.692 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.824 16.688 0.265 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.693 17.844 1.245 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.990 18.412 1.600 1.00 0.00 N ATOM 1124 CZ ARG A 75 -5.709 19.172 0.781 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -5.258 19.454 -0.434 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -6.881 19.652 1.176 1.00 0.00 N ATOM 0 H ARG A 75 -2.865 14.150 -0.209 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.544 15.851 -2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.734 16.457 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.537 17.603 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.749 16.793 -0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.891 15.749 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.190 17.498 2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.065 18.620 0.808 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.365 18.215 2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.357 19.087 -0.742 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.812 20.038 -1.061 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.231 19.438 2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.432 20.235 0.546 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.188 16.309 -3.434 1.00 0.00 N ATOM 1141 CA GLN A 76 0.043 16.268 -4.215 1.00 0.00 C ATOM 1142 C GLN A 76 0.227 14.904 -4.871 1.00 0.00 C ATOM 1143 O GLN A 76 1.209 14.206 -4.612 1.00 0.00 O ATOM 1144 CB GLN A 76 1.247 16.586 -3.326 1.00 0.00 C ATOM 1145 CG GLN A 76 1.466 18.075 -3.109 1.00 0.00 C ATOM 1146 CD GLN A 76 2.923 18.474 -3.228 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.486 19.091 -2.323 1.00 0.00 O ATOM 1148 NE2 GLN A 76 3.543 18.123 -4.349 1.00 0.00 N ATOM 0 H GLN A 76 -1.806 17.088 -3.660 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.030 17.021 -5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.112 16.102 -2.359 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.143 16.157 -3.775 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.879 18.635 -3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.097 18.353 -2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.038 17.612 -5.073 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.525 18.364 -4.486 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.724 14.528 -5.720 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.667 13.246 -6.413 1.00 0.00 C ATOM 1159 C LEU A 77 0.154 13.356 -7.694 1.00 0.00 C ATOM 1160 O LEU A 77 0.683 14.419 -8.015 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.079 12.757 -6.739 1.00 0.00 C ATOM 1162 CG LEU A 77 -2.874 12.175 -5.569 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.368 12.270 -5.840 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.467 10.732 -5.313 1.00 0.00 C ATOM 0 H LEU A 77 -1.543 15.093 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.183 12.525 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.643 13.591 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.008 11.998 -7.518 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.650 12.758 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.918 11.851 -4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.648 13.315 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.610 11.712 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.043 10.334 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.662 10.135 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.404 10.691 -5.074 1.00 0.00 H new ATOM 1176 N ALA A 78 0.253 12.249 -8.424 1.00 0.00 N ATOM 1177 CA ALA A 78 1.004 12.222 -9.672 1.00 0.00 C ATOM 1178 C ALA A 78 0.300 11.365 -10.719 1.00 0.00 C ATOM 1179 O ALA A 78 -0.527 10.515 -10.386 1.00 0.00 O ATOM 1180 CB ALA A 78 2.415 11.707 -9.428 1.00 0.00 C ATOM 0 H ALA A 78 -0.178 11.360 -8.172 1.00 0.00 H new ATOM 0 HA ALA A 78 1.062 13.241 -10.054 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.965 11.692 -10.369 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.924 12.362 -8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.368 10.698 -9.019 1.00 0.00 H new ATOM 1186 N LEU A 79 0.632 11.594 -11.985 1.00 0.00 N ATOM 1187 CA LEU A 79 0.031 10.842 -13.081 1.00 0.00 C ATOM 1188 C LEU A 79 0.336 9.353 -12.952 1.00 0.00 C ATOM 1189 O LEU A 79 -0.333 8.516 -13.559 1.00 0.00 O ATOM 1190 CB LEU A 79 0.543 11.364 -14.424 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.106 12.651 -14.935 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.618 13.159 -16.172 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.580 12.423 -15.234 1.00 0.00 C ATOM 0 H LEU A 79 1.314 12.294 -12.278 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.049 10.978 -13.033 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.617 11.530 -14.341 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.398 10.585 -15.173 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.027 13.409 -14.156 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.142 14.075 -16.521 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.660 13.362 -15.926 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.571 12.404 -16.957 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.025 13.350 -15.596 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.681 11.650 -15.995 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.091 12.106 -14.325 1.00 0.00 H new ATOM 1205 N LYS A 80 1.349 9.028 -12.155 1.00 0.00 N ATOM 1206 CA LYS A 80 1.741 7.640 -11.943 1.00 0.00 C ATOM 1207 C LYS A 80 1.076 7.073 -10.693 1.00 0.00 C ATOM 1208 O LYS A 80 1.569 6.114 -10.097 1.00 0.00 O ATOM 1209 CB LYS A 80 3.262 7.532 -11.818 1.00 0.00 C ATOM 1210 CG LYS A 80 3.848 8.413 -10.728 1.00 0.00 C ATOM 1211 CD LYS A 80 4.564 9.620 -11.311 1.00 0.00 C ATOM 1212 CE LYS A 80 5.335 10.380 -10.243 1.00 0.00 C ATOM 1213 NZ LYS A 80 5.550 11.804 -10.622 1.00 0.00 N ATOM 0 H LYS A 80 1.913 9.708 -11.645 1.00 0.00 H new ATOM 0 HA LYS A 80 1.411 7.059 -12.804 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.529 6.494 -11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.716 7.799 -12.772 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.052 8.747 -10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.545 7.832 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.249 9.295 -12.094 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.838 10.284 -11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.791 10.333 -9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.299 9.898 -10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.551 12.052 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.291 11.941 -11.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.958 12.416 -10.024 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.044 7.669 -10.301 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.778 7.221 -9.123 1.00 0.00 C ATOM 1229 C ASP A 81 -2.108 6.588 -9.520 1.00 0.00 C ATOM 1230 O ASP A 81 -2.694 5.821 -8.756 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.021 8.393 -8.171 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.920 8.018 -7.009 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -1.415 7.421 -6.036 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -3.129 8.323 -7.074 1.00 0.00 O ATOM 0 H ASP A 81 -0.464 8.464 -10.782 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.175 6.469 -8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.065 8.750 -7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.471 9.218 -8.723 1.00 0.00 H new ATOM 1239 N SER A 82 -2.579 6.915 -10.718 1.00 0.00 N ATOM 1240 CA SER A 82 -3.843 6.382 -11.215 1.00 0.00 C ATOM 1241 C SER A 82 -3.869 4.860 -11.111 1.00 0.00 C ATOM 1242 O SER A 82 -3.128 4.167 -11.806 1.00 0.00 O ATOM 1243 CB SER A 82 -4.066 6.810 -12.666 1.00 0.00 C ATOM 1244 OG SER A 82 -3.458 8.063 -12.928 1.00 0.00 O ATOM 0 H SER A 82 -2.105 7.547 -11.364 1.00 0.00 H new ATOM 0 HA SER A 82 -4.646 6.784 -10.598 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.656 6.056 -13.338 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.135 6.871 -12.870 1.00 0.00 H new ATOM 0 HG SER A 82 -3.614 8.313 -13.863 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.729 4.347 -10.237 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.836 2.911 -10.057 1.00 0.00 C ATOM 1252 C GLY A 83 -6.167 2.500 -9.458 1.00 0.00 C ATOM 1253 O GLY A 83 -7.219 2.704 -10.064 1.00 0.00 O ATOM 0 H GLY A 83 -5.354 4.900 -9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.706 2.416 -11.020 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.028 2.568 -9.410 1.00 0.00 H new ATOM 1257 N THR A 84 -6.121 1.916 -8.264 1.00 0.00 N ATOM 1258 CA THR A 84 -7.331 1.472 -7.584 1.00 0.00 C ATOM 1259 C THR A 84 -7.111 1.370 -6.079 1.00 0.00 C ATOM 1260 O THR A 84 -6.423 0.466 -5.603 1.00 0.00 O ATOM 1261 CB THR A 84 -7.805 0.106 -8.116 1.00 0.00 C ATOM 1262 OG1 THR A 84 -8.065 0.191 -9.521 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.061 -0.351 -7.389 1.00 0.00 C ATOM 0 H THR A 84 -5.259 1.740 -7.749 1.00 0.00 H new ATOM 0 HA THR A 84 -8.099 2.219 -7.786 1.00 0.00 H new ATOM 0 HB THR A 84 -7.015 -0.623 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.364 -0.682 -9.852 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.377 -1.318 -7.781 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.851 -0.443 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.855 0.380 -7.541 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.698 2.301 -5.336 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.567 2.314 -3.884 1.00 0.00 C ATOM 1273 C ILE A 85 -7.995 0.981 -3.281 1.00 0.00 C ATOM 1274 O ILE A 85 -9.169 0.615 -3.328 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.404 3.443 -3.253 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.965 4.801 -3.803 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.276 3.412 -1.737 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.515 5.128 -3.520 1.00 0.00 C ATOM 0 H ILE A 85 -8.269 3.056 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.514 2.488 -3.664 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.451 3.289 -3.513 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.129 4.818 -4.880 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.595 5.579 -3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.873 4.215 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.632 2.453 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.231 3.546 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.274 6.105 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.349 5.144 -2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.876 4.371 -3.974 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.035 0.259 -2.714 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.312 -1.035 -2.102 1.00 0.00 C ATOM 1292 C TYR A 86 -7.378 -0.916 -0.582 1.00 0.00 C ATOM 1293 O TYR A 86 -6.421 -1.244 0.120 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.239 -2.051 -2.499 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.445 -2.642 -3.875 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.572 -3.402 -4.166 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.513 -2.439 -4.886 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.763 -3.944 -5.422 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.697 -2.976 -6.145 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.823 -3.728 -6.408 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.011 -4.266 -7.661 1.00 0.00 O ATOM 0 H TYR A 86 -6.058 0.548 -2.665 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.281 -1.379 -2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.262 -1.568 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.224 -2.857 -1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.311 -3.572 -3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.630 -1.851 -4.684 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.643 -4.534 -5.631 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.963 -2.808 -6.919 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.259 -4.020 -8.239 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.515 -0.445 -0.081 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.707 -0.281 1.355 1.00 0.00 C ATOM 1313 C PHE A 87 -8.576 -1.619 2.077 1.00 0.00 C ATOM 1314 O PHE A 87 -8.852 -2.674 1.506 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.079 0.333 1.641 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.375 0.485 3.105 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.789 1.502 3.842 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.240 -0.388 3.745 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -10.059 1.643 5.190 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.514 -0.251 5.093 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.923 0.766 5.816 1.00 0.00 C ATOM 0 H PHE A 87 -9.317 -0.170 -0.648 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.932 0.390 1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.137 1.311 1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.849 -0.290 1.186 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.114 2.192 3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.706 -1.185 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.595 2.439 5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.190 -0.939 5.580 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.136 0.876 6.869 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.154 -1.566 3.337 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.985 -2.774 4.136 1.00 0.00 C ATOM 1333 C GLU A 88 -8.516 -2.568 5.552 1.00 0.00 C ATOM 1334 O GLU A 88 -8.214 -1.566 6.199 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.510 -3.177 4.186 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.147 -4.281 3.207 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.675 -4.642 3.253 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.094 -4.619 4.359 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.104 -4.946 2.185 1.00 0.00 O ATOM 0 H GLU A 88 -7.923 -0.701 3.825 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.557 -3.574 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.896 -2.301 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.266 -3.504 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.742 -5.167 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.408 -3.966 2.197 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.308 -3.523 6.026 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.880 -3.448 7.365 1.00 0.00 C ATOM 1348 C ALA A 89 -10.422 -4.803 7.807 1.00 0.00 C ATOM 1349 O ALA A 89 -11.539 -5.181 7.455 1.00 0.00 O ATOM 1350 CB ALA A 89 -10.978 -2.397 7.411 1.00 0.00 C ATOM 0 H ALA A 89 -9.569 -4.359 5.503 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.088 -3.160 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.396 -2.352 8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.562 -1.425 7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.764 -2.660 6.703 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.623 -5.531 8.582 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.041 -6.836 9.059 1.00 0.00 C ATOM 1358 C GLY A 90 -9.854 -7.921 8.017 1.00 0.00 C ATOM 1359 O GLY A 90 -8.726 -8.248 7.646 1.00 0.00 O ATOM 0 H GLY A 90 -8.694 -5.240 8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.472 -7.092 9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.090 -6.794 9.351 1.00 0.00 H new ATOM 1363 N ASP A 91 -10.962 -8.482 7.544 1.00 0.00 N ATOM 1364 CA ASP A 91 -10.915 -9.537 6.538 1.00 0.00 C ATOM 1365 C ASP A 91 -11.595 -9.089 5.248 1.00 0.00 C ATOM 1366 O ASP A 91 -12.005 -9.915 4.433 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.585 -10.806 7.069 1.00 0.00 C ATOM 1368 CG ASP A 91 -10.644 -11.653 7.902 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -9.512 -11.910 7.441 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -11.039 -12.059 9.015 1.00 0.00 O ATOM 0 H ASP A 91 -11.903 -8.224 7.841 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.869 -9.751 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.451 -10.531 7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.954 -11.396 6.230 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.712 -7.777 5.072 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.344 -7.220 3.881 1.00 0.00 C ATOM 1377 C GLN A 92 -11.338 -6.431 3.050 1.00 0.00 C ATOM 1378 O GLN A 92 -10.152 -6.381 3.375 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.516 -6.320 4.275 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.683 -7.075 4.891 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.403 -7.955 3.888 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.137 -7.466 3.030 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.195 -9.263 3.992 1.00 0.00 N ATOM 0 H GLN A 92 -11.378 -7.080 5.738 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.717 -8.047 3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.165 -5.570 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.866 -5.785 3.392 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.319 -7.691 5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.389 -6.361 5.315 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.578 -9.625 4.719 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.652 -9.905 3.345 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.820 -5.815 1.975 1.00 0.00 N ATOM 1393 CA ARG A 93 -10.962 -5.029 1.096 1.00 0.00 C ATOM 1394 C ARG A 93 -11.785 -4.329 0.018 1.00 0.00 C ATOM 1395 O ARG A 93 -12.378 -4.977 -0.843 1.00 0.00 O ATOM 1396 CB ARG A 93 -9.906 -5.924 0.445 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.680 -5.167 -0.038 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.767 -6.056 -0.868 1.00 0.00 C ATOM 1399 NE ARG A 93 -6.913 -6.895 -0.032 1.00 0.00 N ATOM 1400 CZ ARG A 93 -6.093 -7.821 -0.515 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -6.016 -8.026 -1.823 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -5.347 -8.545 0.310 1.00 0.00 N ATOM 0 H ARG A 93 -12.799 -5.845 1.692 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.463 -4.270 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.594 -6.684 1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.356 -6.447 -0.399 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.992 -4.308 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.130 -4.778 0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.371 -6.688 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.145 -5.435 -1.513 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.948 -6.762 0.979 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.587 -7.472 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.385 -8.738 -2.191 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.403 -8.391 1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.718 -9.256 -0.063 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.816 -3.001 0.075 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.564 -2.213 -0.897 1.00 0.00 C ATOM 1418 C ALA A 94 -11.778 -2.049 -2.193 1.00 0.00 C ATOM 1419 O ALA A 94 -10.659 -2.546 -2.318 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.915 -0.852 -0.314 1.00 0.00 C ATOM 0 H ALA A 94 -11.332 -2.449 0.783 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.486 -2.746 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.473 -0.274 -1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.524 -0.985 0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -12.000 -0.321 -0.054 1.00 0.00 H new ATOM 1426 N SER A 95 -12.371 -1.350 -3.155 1.00 0.00 N ATOM 1427 CA SER A 95 -11.728 -1.125 -4.444 1.00 0.00 C ATOM 1428 C SER A 95 -12.422 -0.002 -5.209 1.00 0.00 C ATOM 1429 O SER A 95 -13.514 -0.184 -5.746 1.00 0.00 O ATOM 1430 CB SER A 95 -11.741 -2.408 -5.276 1.00 0.00 C ATOM 1431 OG SER A 95 -12.911 -3.167 -5.024 1.00 0.00 O ATOM 0 H SER A 95 -13.296 -0.930 -3.066 1.00 0.00 H new ATOM 0 HA SER A 95 -10.695 -0.831 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.687 -2.159 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.859 -3.005 -5.043 1.00 0.00 H new ATOM 0 HG SER A 95 -12.896 -3.981 -5.569 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.779 1.160 -5.255 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.332 2.313 -5.955 1.00 0.00 C ATOM 1439 C ALA A 96 -11.455 2.710 -7.138 1.00 0.00 C ATOM 1440 O ALA A 96 -10.228 2.664 -7.055 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.493 3.485 -4.998 1.00 0.00 C ATOM 0 H ALA A 96 -10.874 1.328 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.313 2.036 -6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.907 4.339 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.167 3.204 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.521 3.753 -4.584 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.093 3.098 -8.237 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.371 3.504 -9.436 1.00 0.00 C ATOM 1449 C ALA A 97 -10.696 4.857 -9.239 1.00 0.00 C ATOM 1450 O ALA A 97 -11.333 5.904 -9.360 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.313 3.551 -10.630 1.00 0.00 C ATOM 0 H ALA A 97 -13.109 3.140 -8.322 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.594 2.764 -9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.760 3.856 -11.518 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.744 2.563 -10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.111 4.268 -10.436 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.403 4.829 -8.934 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.641 6.054 -8.719 1.00 0.00 C ATOM 1459 C LEU A 98 -8.009 6.538 -10.020 1.00 0.00 C ATOM 1460 O LEU A 98 -6.986 6.011 -10.458 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.556 5.825 -7.665 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.416 6.844 -7.643 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.955 8.242 -7.379 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.381 6.463 -6.595 1.00 0.00 C ATOM 0 H LEU A 98 -8.861 3.971 -8.830 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.328 6.822 -8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.028 5.816 -6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.128 4.835 -7.822 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.933 6.842 -8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.130 8.954 -7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.658 8.515 -8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.464 8.260 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.577 7.199 -6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.851 6.437 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.972 5.480 -6.828 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.623 7.545 -10.632 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.120 8.100 -11.883 1.00 0.00 C ATOM 1478 C ARG A 99 -7.430 9.440 -11.644 1.00 0.00 C ATOM 1479 O ARG A 99 -7.832 10.210 -10.771 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.262 8.273 -12.885 1.00 0.00 C ATOM 1481 CG ARG A 99 -9.877 6.960 -13.340 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.057 7.191 -14.271 1.00 0.00 C ATOM 1483 NE ARG A 99 -11.734 5.944 -14.616 1.00 0.00 N ATOM 1484 CZ ARG A 99 -12.677 5.853 -15.548 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -13.052 6.930 -16.223 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -13.246 4.682 -15.805 1.00 0.00 N ATOM 0 H ARG A 99 -9.470 7.993 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.390 7.403 -12.293 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.039 8.891 -12.435 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.891 8.812 -13.757 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.122 6.361 -13.849 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.204 6.390 -12.471 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.766 7.869 -13.796 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.710 7.679 -15.182 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.469 5.097 -14.114 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.617 7.832 -16.028 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.776 6.857 -16.938 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.960 3.851 -15.287 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -13.970 4.613 -16.520 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.390 9.712 -12.425 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.645 10.960 -12.299 1.00 0.00 C ATOM 1502 C VAL A 100 -5.147 11.441 -13.657 1.00 0.00 C ATOM 1503 O VAL A 100 -4.223 10.865 -14.232 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.443 10.802 -11.350 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.645 12.095 -11.279 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -4.909 10.377 -9.966 1.00 0.00 C ATOM 0 H VAL A 100 -6.044 9.086 -13.152 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.331 11.699 -11.884 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.791 10.022 -11.744 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.800 11.964 -10.604 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.279 12.352 -12.273 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.284 12.897 -10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.046 10.270 -9.308 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.583 11.132 -9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.433 9.424 -10.035 1.00 0.00 H new ATOM 1516 N THR A 101 -5.765 12.503 -14.166 1.00 0.00 N ATOM 1517 CA THR A 101 -5.385 13.063 -15.457 1.00 0.00 C ATOM 1518 C THR A 101 -4.245 14.064 -15.308 1.00 0.00 C ATOM 1519 O THR A 101 -3.880 14.441 -14.195 1.00 0.00 O ATOM 1520 CB THR A 101 -6.578 13.758 -16.140 1.00 0.00 C ATOM 1521 OG1 THR A 101 -7.007 14.877 -15.357 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.735 12.788 -16.326 1.00 0.00 C ATOM 0 H THR A 101 -6.531 12.992 -13.703 1.00 0.00 H new ATOM 0 HA THR A 101 -5.054 12.231 -16.078 1.00 0.00 H new ATOM 0 HB THR A 101 -6.255 14.105 -17.121 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.765 15.314 -15.799 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.566 13.301 -16.810 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.413 11.952 -16.947 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.056 12.414 -15.354 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.688 14.491 -16.437 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.589 15.450 -16.430 1.00 0.00 C ATOM 1532 C GLU A 102 -2.988 16.730 -15.703 1.00 0.00 C ATOM 1533 O GLU A 102 -4.167 16.963 -15.432 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.159 15.776 -17.862 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.012 14.916 -18.364 1.00 0.00 C ATOM 1536 CD GLU A 102 -0.965 14.830 -19.877 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -1.447 15.773 -20.539 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -0.447 13.822 -20.399 1.00 0.00 O ATOM 0 H GLU A 102 -3.979 14.189 -17.367 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.750 14.999 -15.900 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.014 15.650 -18.526 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.866 16.825 -17.914 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.070 15.324 -17.998 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.107 13.912 -17.950 1.00 0.00 H new ATOM 1545 N LYS A 103 -1.998 17.558 -15.388 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.243 18.816 -14.693 1.00 0.00 C ATOM 1547 C LYS A 103 -1.734 19.999 -15.511 1.00 0.00 C ATOM 1548 O LYS A 103 -0.837 19.867 -16.344 1.00 0.00 O ATOM 1549 CB LYS A 103 -1.568 18.804 -13.320 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.067 18.576 -13.382 1.00 0.00 C ATOM 1551 CD LYS A 103 0.696 19.889 -13.422 1.00 0.00 C ATOM 1552 CE LYS A 103 2.138 19.683 -13.857 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.466 20.469 -15.079 1.00 0.00 N ATOM 0 H LYS A 103 -1.017 17.380 -15.603 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.320 18.925 -14.561 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -1.763 19.753 -12.820 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.021 18.023 -12.709 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.250 17.996 -12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 103 0.176 17.986 -14.266 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.203 20.577 -14.109 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.675 20.353 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 103 2.807 19.974 -13.047 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.312 18.624 -14.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.458 20.302 -15.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.845 20.173 -15.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.325 21.482 -14.889 1.00 0.00 H new