USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 856 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 121 MET CE :methyl -136:sc= -0.373 (180deg=-1.62) USER MOD Set 1.2: A 129 THR OG1 : rot 84:sc= 1.31 USER MOD Set 2.1: A 58 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Set 2.2: A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.856 K(o=0.86,f=-0.87) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -120:sc= 0.327 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.32 K(o=-0.32,f=-1.1) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 30 SER OG : rot -130:sc= 0.352 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.193 F(o=-0.76,f=-0.19) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0421 USER MOD Single : A 47 GLN : amide:sc=-0.00133 K(o=-0.0013,f=-0.71) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.866 K(o=-0.87,f=-3.7!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 100 GLN : amide:sc= 1.03 K(o=1,f=-1) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 107 GLN : amide:sc= 0.696 K(o=0.7,f=-5!) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.0853 USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 130 TYR OH : rot 67:sc= -0.894 USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 134 MET CE :methyl -134:sc= -0.605 (180deg=-2.2) USER MOD ----------------------------------------------------------------- ATOM 153 N LEU A 11 14.908 -1.298 -8.531 1.00 0.00 N ATOM 154 CA LEU A 11 13.772 -0.409 -8.728 1.00 0.00 C ATOM 155 C LEU A 11 12.494 -1.213 -8.931 1.00 0.00 C ATOM 156 O LEU A 11 12.160 -1.602 -10.051 1.00 0.00 O ATOM 157 CB LEU A 11 14.001 0.524 -9.920 1.00 0.00 C ATOM 158 CG LEU A 11 15.150 1.524 -9.763 1.00 0.00 C ATOM 159 CD1 LEU A 11 15.256 2.404 -10.997 1.00 0.00 C ATOM 160 CD2 LEU A 11 14.955 2.377 -8.518 1.00 0.00 C ATOM 0 HA LEU A 11 13.667 0.202 -7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.190 -0.085 -10.804 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.082 1.080 -10.106 1.00 0.00 H new ATOM 0 HG LEU A 11 16.079 0.965 -9.652 1.00 0.00 H new ATOM 0 HD11 LEU A 11 16.077 3.110 -10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.443 1.782 -11.872 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.324 2.952 -11.134 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.782 3.080 -8.426 1.00 0.00 H new ATOM 0 HD22 LEU A 11 14.018 2.928 -8.597 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.925 1.735 -7.638 1.00 0.00 H new ATOM 172 N ASN A 12 11.797 -1.479 -7.836 1.00 0.00 N ATOM 173 CA ASN A 12 10.536 -2.209 -7.887 1.00 0.00 C ATOM 174 C ASN A 12 9.413 -1.291 -8.352 1.00 0.00 C ATOM 175 O ASN A 12 8.736 -0.659 -7.545 1.00 0.00 O ATOM 176 CB ASN A 12 10.198 -2.814 -6.518 1.00 0.00 C ATOM 177 CG ASN A 12 11.150 -3.927 -6.119 1.00 0.00 C ATOM 178 OD1 ASN A 12 11.682 -4.643 -6.967 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.378 -4.079 -4.822 1.00 0.00 N ATOM 0 H ASN A 12 12.084 -1.200 -6.898 1.00 0.00 H new ATOM 0 HA ASN A 12 10.643 -3.025 -8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.225 -2.029 -5.762 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.180 -3.202 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.013 -4.809 -4.498 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.919 -3.466 -4.148 1.00 0.00 H new ATOM 186 N THR A 13 9.248 -1.193 -9.661 1.00 0.00 N ATOM 187 CA THR A 13 8.253 -0.310 -10.244 1.00 0.00 C ATOM 188 C THR A 13 7.197 -1.110 -11.001 1.00 0.00 C ATOM 189 O THR A 13 7.519 -2.098 -11.666 1.00 0.00 O ATOM 190 CB THR A 13 8.919 0.689 -11.211 1.00 0.00 C ATOM 191 OG1 THR A 13 10.063 1.275 -10.580 1.00 0.00 O ATOM 192 CG2 THR A 13 7.950 1.788 -11.622 1.00 0.00 C ATOM 0 H THR A 13 9.795 -1.718 -10.343 1.00 0.00 H new ATOM 0 HA THR A 13 7.774 0.235 -9.431 1.00 0.00 H new ATOM 0 HB THR A 13 9.222 0.146 -12.107 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.487 1.909 -11.195 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.449 2.477 -12.304 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.088 1.345 -12.120 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.618 2.331 -10.737 1.00 0.00 H new ATOM 200 N VAL A 14 5.939 -0.693 -10.885 1.00 0.00 N ATOM 201 CA VAL A 14 4.867 -1.282 -11.675 1.00 0.00 C ATOM 202 C VAL A 14 5.163 -1.069 -13.155 1.00 0.00 C ATOM 203 O VAL A 14 5.166 0.065 -13.639 1.00 0.00 O ATOM 204 CB VAL A 14 3.492 -0.669 -11.332 1.00 0.00 C ATOM 205 CG1 VAL A 14 2.388 -1.351 -12.126 1.00 0.00 C ATOM 206 CG2 VAL A 14 3.219 -0.762 -9.837 1.00 0.00 C ATOM 0 H VAL A 14 5.640 0.049 -10.252 1.00 0.00 H new ATOM 0 HA VAL A 14 4.822 -2.346 -11.442 1.00 0.00 H new ATOM 0 HB VAL A 14 3.509 0.385 -11.609 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.427 -0.905 -11.870 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.575 -1.224 -13.192 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.370 -2.414 -11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.245 -0.324 -9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.224 -1.808 -9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.992 -0.220 -9.292 1.00 0.00 H new ATOM 216 N THR A 15 5.427 -2.155 -13.859 1.00 0.00 N ATOM 217 CA THR A 15 5.901 -2.074 -15.227 1.00 0.00 C ATOM 218 C THR A 15 4.775 -1.696 -16.189 1.00 0.00 C ATOM 219 O THR A 15 4.894 -0.726 -16.942 1.00 0.00 O ATOM 220 CB THR A 15 6.540 -3.405 -15.659 1.00 0.00 C ATOM 221 OG1 THR A 15 7.342 -3.922 -14.584 1.00 0.00 O ATOM 222 CG2 THR A 15 7.414 -3.205 -16.886 1.00 0.00 C ATOM 0 H THR A 15 5.321 -3.105 -13.504 1.00 0.00 H new ATOM 0 HA THR A 15 6.656 -1.289 -15.266 1.00 0.00 H new ATOM 0 HB THR A 15 5.746 -4.110 -15.904 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.271 -4.010 -14.882 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.857 -4.158 -17.176 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.807 -2.822 -17.706 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.206 -2.492 -16.657 1.00 0.00 H new ATOM 230 N ALA A 16 3.681 -2.441 -16.147 1.00 0.00 N ATOM 231 CA ALA A 16 2.562 -2.191 -17.042 1.00 0.00 C ATOM 232 C ALA A 16 1.230 -2.365 -16.323 1.00 0.00 C ATOM 233 O ALA A 16 1.141 -3.051 -15.301 1.00 0.00 O ATOM 234 CB ALA A 16 2.637 -3.115 -18.248 1.00 0.00 C ATOM 0 H ALA A 16 3.544 -3.221 -15.505 1.00 0.00 H new ATOM 0 HA ALA A 16 2.626 -1.158 -17.382 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.794 -2.918 -18.910 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.569 -2.938 -18.785 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.602 -4.152 -17.914 1.00 0.00 H new ATOM 240 N TYR A 17 0.200 -1.732 -16.859 1.00 0.00 N ATOM 241 CA TYR A 17 -1.143 -1.847 -16.315 1.00 0.00 C ATOM 242 C TYR A 17 -2.013 -2.644 -17.275 1.00 0.00 C ATOM 243 O TYR A 17 -2.210 -2.241 -18.423 1.00 0.00 O ATOM 244 CB TYR A 17 -1.755 -0.462 -16.087 1.00 0.00 C ATOM 245 CG TYR A 17 -0.936 0.436 -15.187 1.00 0.00 C ATOM 246 CD1 TYR A 17 -0.938 0.264 -13.809 1.00 0.00 C ATOM 247 CD2 TYR A 17 -0.154 1.456 -15.719 1.00 0.00 C ATOM 248 CE1 TYR A 17 -0.191 1.085 -12.986 1.00 0.00 C ATOM 249 CE2 TYR A 17 0.596 2.279 -14.903 1.00 0.00 C ATOM 250 CZ TYR A 17 0.575 2.088 -13.539 1.00 0.00 C ATOM 251 OH TYR A 17 1.327 2.902 -12.722 1.00 0.00 O ATOM 0 H TYR A 17 0.270 -1.128 -17.678 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.090 -2.362 -15.356 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.884 0.029 -17.051 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.748 -0.583 -15.655 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.533 -0.525 -13.373 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.133 1.607 -16.788 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.207 0.941 -11.916 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.196 3.068 -15.332 1.00 0.00 H new ATOM 0 HH TYR A 17 1.810 3.557 -13.268 1.00 0.00 H new ATOM 261 N GLY A 18 -2.517 -3.775 -16.816 1.00 0.00 N ATOM 262 CA GLY A 18 -3.317 -4.620 -17.671 1.00 0.00 C ATOM 263 C GLY A 18 -4.782 -4.586 -17.303 1.00 0.00 C ATOM 264 O GLY A 18 -5.140 -4.261 -16.168 1.00 0.00 O ATOM 0 H GLY A 18 -2.387 -4.123 -15.866 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.197 -4.302 -18.707 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.953 -5.645 -17.608 1.00 0.00 H new ATOM 268 N ASP A 19 -5.629 -4.918 -18.262 1.00 0.00 N ATOM 269 CA ASP A 19 -7.066 -4.960 -18.040 1.00 0.00 C ATOM 270 C ASP A 19 -7.431 -6.113 -17.108 1.00 0.00 C ATOM 271 O ASP A 19 -7.604 -7.254 -17.543 1.00 0.00 O ATOM 272 CB ASP A 19 -7.803 -5.084 -19.378 1.00 0.00 C ATOM 273 CG ASP A 19 -9.300 -5.273 -19.223 1.00 0.00 C ATOM 274 OD1 ASP A 19 -9.964 -4.396 -18.633 1.00 0.00 O ATOM 275 OD2 ASP A 19 -9.822 -6.304 -19.698 1.00 0.00 O ATOM 0 H ASP A 19 -5.344 -5.164 -19.210 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.375 -4.030 -17.562 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.616 -4.189 -19.972 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.393 -5.927 -19.934 1.00 0.00 H new ATOM 280 N GLY A 20 -7.495 -5.815 -15.817 1.00 0.00 N ATOM 281 CA GLY A 20 -7.871 -6.812 -14.838 1.00 0.00 C ATOM 282 C GLY A 20 -6.677 -7.487 -14.186 1.00 0.00 C ATOM 283 O GLY A 20 -6.835 -8.495 -13.497 1.00 0.00 O ATOM 0 H GLY A 20 -7.291 -4.894 -15.430 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.482 -6.343 -14.067 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.491 -7.569 -15.319 1.00 0.00 H new ATOM 287 N TYR A 21 -5.481 -6.943 -14.399 1.00 0.00 N ATOM 288 CA TYR A 21 -4.276 -7.506 -13.799 1.00 0.00 C ATOM 289 C TYR A 21 -3.138 -6.490 -13.792 1.00 0.00 C ATOM 290 O TYR A 21 -3.065 -5.619 -14.657 1.00 0.00 O ATOM 291 CB TYR A 21 -3.840 -8.783 -14.539 1.00 0.00 C ATOM 292 CG TYR A 21 -3.383 -8.564 -15.968 1.00 0.00 C ATOM 293 CD1 TYR A 21 -4.297 -8.506 -17.016 1.00 0.00 C ATOM 294 CD2 TYR A 21 -2.033 -8.425 -16.270 1.00 0.00 C ATOM 295 CE1 TYR A 21 -3.876 -8.318 -18.320 1.00 0.00 C ATOM 296 CE2 TYR A 21 -1.606 -8.234 -17.570 1.00 0.00 C ATOM 297 CZ TYR A 21 -2.531 -8.181 -18.592 1.00 0.00 C ATOM 298 OH TYR A 21 -2.108 -7.993 -19.890 1.00 0.00 O ATOM 0 H TYR A 21 -5.322 -6.119 -14.978 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.513 -7.764 -12.767 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.029 -9.251 -13.981 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.672 -9.487 -14.542 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.352 -8.609 -16.808 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.305 -8.467 -15.474 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.598 -8.279 -19.122 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.553 -8.127 -17.785 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.131 -7.914 -19.908 1.00 0.00 H new ATOM 308 N ILE A 22 -2.262 -6.602 -12.807 1.00 0.00 N ATOM 309 CA ILE A 22 -1.081 -5.754 -12.727 1.00 0.00 C ATOM 310 C ILE A 22 0.114 -6.497 -13.318 1.00 0.00 C ATOM 311 O ILE A 22 0.263 -7.696 -13.103 1.00 0.00 O ATOM 312 CB ILE A 22 -0.774 -5.359 -11.264 1.00 0.00 C ATOM 313 CG1 ILE A 22 -1.998 -4.693 -10.626 1.00 0.00 C ATOM 314 CG2 ILE A 22 0.431 -4.429 -11.201 1.00 0.00 C ATOM 315 CD1 ILE A 22 -1.812 -4.353 -9.163 1.00 0.00 C ATOM 0 H ILE A 22 -2.347 -7.276 -12.046 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.272 -4.842 -13.292 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.538 -6.264 -10.704 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.232 -3.781 -11.175 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.857 -5.356 -10.729 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.631 -4.162 -10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.302 -4.933 -11.620 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.224 -3.525 -11.774 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.719 -3.885 -8.780 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.609 -5.264 -8.601 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.974 -3.664 -9.053 1.00 0.00 H new ATOM 327 N GLU A 23 0.945 -5.800 -14.079 1.00 0.00 N ATOM 328 CA GLU A 23 2.101 -6.429 -14.697 1.00 0.00 C ATOM 329 C GLU A 23 3.384 -5.788 -14.184 1.00 0.00 C ATOM 330 O GLU A 23 3.627 -4.597 -14.392 1.00 0.00 O ATOM 331 CB GLU A 23 2.003 -6.329 -16.228 1.00 0.00 C ATOM 332 CG GLU A 23 2.992 -7.209 -16.982 1.00 0.00 C ATOM 333 CD GLU A 23 4.335 -6.543 -17.219 1.00 0.00 C ATOM 334 OE1 GLU A 23 5.227 -6.658 -16.358 1.00 0.00 O ATOM 335 OE2 GLU A 23 4.510 -5.922 -18.288 1.00 0.00 O ATOM 0 H GLU A 23 0.841 -4.806 -14.282 1.00 0.00 H new ATOM 0 HA GLU A 23 2.120 -7.485 -14.428 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.991 -6.597 -16.533 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.161 -5.292 -16.523 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.146 -8.131 -16.422 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.559 -7.488 -17.943 1.00 0.00 H new ATOM 342 N VAL A 24 4.177 -6.574 -13.473 1.00 0.00 N ATOM 343 CA VAL A 24 5.470 -6.119 -12.985 1.00 0.00 C ATOM 344 C VAL A 24 6.542 -7.135 -13.351 1.00 0.00 C ATOM 345 O VAL A 24 6.522 -8.261 -12.856 1.00 0.00 O ATOM 346 CB VAL A 24 5.474 -5.915 -11.453 1.00 0.00 C ATOM 347 CG1 VAL A 24 6.799 -5.328 -10.989 1.00 0.00 C ATOM 348 CG2 VAL A 24 4.314 -5.035 -11.013 1.00 0.00 C ATOM 0 H VAL A 24 3.947 -7.535 -13.220 1.00 0.00 H new ATOM 0 HA VAL A 24 5.676 -5.158 -13.456 1.00 0.00 H new ATOM 0 HB VAL A 24 5.350 -6.892 -10.987 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.778 -5.193 -9.908 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.610 -6.006 -11.255 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.959 -4.364 -11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.343 -4.909 -9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.394 -4.060 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.373 -5.504 -11.299 1.00 0.00 H new ATOM 358 N ASN A 25 7.456 -6.739 -14.236 1.00 0.00 N ATOM 359 CA ASN A 25 8.554 -7.607 -14.672 1.00 0.00 C ATOM 360 C ASN A 25 8.000 -8.875 -15.330 1.00 0.00 C ATOM 361 O ASN A 25 8.527 -9.977 -15.147 1.00 0.00 O ATOM 362 CB ASN A 25 9.465 -7.955 -13.480 1.00 0.00 C ATOM 363 CG ASN A 25 10.746 -8.663 -13.892 1.00 0.00 C ATOM 364 OD1 ASN A 25 11.261 -8.457 -14.991 1.00 0.00 O ATOM 365 ND2 ASN A 25 11.272 -9.499 -13.008 1.00 0.00 N ATOM 0 H ASN A 25 7.459 -5.816 -14.669 1.00 0.00 H new ATOM 0 HA ASN A 25 9.152 -7.075 -15.412 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.719 -7.039 -12.946 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.915 -8.588 -12.784 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.134 -9.998 -13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.815 -9.643 -12.107 1.00 0.00 H new ATOM 372 N GLN A 26 6.920 -8.696 -16.094 1.00 0.00 N ATOM 373 CA GLN A 26 6.266 -9.782 -16.829 1.00 0.00 C ATOM 374 C GLN A 26 5.594 -10.761 -15.874 1.00 0.00 C ATOM 375 O GLN A 26 5.272 -11.891 -16.250 1.00 0.00 O ATOM 376 CB GLN A 26 7.253 -10.529 -17.734 1.00 0.00 C ATOM 377 CG GLN A 26 7.928 -9.654 -18.773 1.00 0.00 C ATOM 378 CD GLN A 26 8.831 -10.448 -19.698 1.00 0.00 C ATOM 379 OE1 GLN A 26 9.370 -11.491 -19.321 1.00 0.00 O ATOM 380 NE2 GLN A 26 9.008 -9.961 -20.915 1.00 0.00 N ATOM 0 H GLN A 26 6.472 -7.789 -16.221 1.00 0.00 H new ATOM 0 HA GLN A 26 5.504 -9.326 -17.461 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.019 -10.993 -17.113 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.724 -11.335 -18.242 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.168 -9.142 -19.363 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.513 -8.884 -18.271 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.545 -9.095 -21.190 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.608 -10.452 -21.578 1.00 0.00 H new ATOM 389 N VAL A 27 5.383 -10.332 -14.639 1.00 0.00 N ATOM 390 CA VAL A 27 4.683 -11.147 -13.663 1.00 0.00 C ATOM 391 C VAL A 27 3.250 -10.661 -13.518 1.00 0.00 C ATOM 392 O VAL A 27 3.005 -9.543 -13.059 1.00 0.00 O ATOM 393 CB VAL A 27 5.371 -11.129 -12.281 1.00 0.00 C ATOM 394 CG1 VAL A 27 4.674 -12.085 -11.323 1.00 0.00 C ATOM 395 CG2 VAL A 27 6.847 -11.479 -12.407 1.00 0.00 C ATOM 0 H VAL A 27 5.688 -9.423 -14.290 1.00 0.00 H new ATOM 0 HA VAL A 27 4.700 -12.174 -14.029 1.00 0.00 H new ATOM 0 HB VAL A 27 5.294 -10.120 -11.876 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.173 -12.058 -10.355 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.633 -11.785 -11.203 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.716 -13.097 -11.725 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.311 -11.460 -11.421 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.949 -12.475 -12.837 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.339 -10.753 -13.054 1.00 0.00 H new ATOM 405 N ARG A 28 2.311 -11.490 -13.945 1.00 0.00 N ATOM 406 CA ARG A 28 0.899 -11.158 -13.861 1.00 0.00 C ATOM 407 C ARG A 28 0.402 -11.230 -12.421 1.00 0.00 C ATOM 408 O ARG A 28 0.311 -12.312 -11.834 1.00 0.00 O ATOM 409 CB ARG A 28 0.075 -12.101 -14.738 1.00 0.00 C ATOM 410 CG ARG A 28 -1.424 -11.920 -14.574 1.00 0.00 C ATOM 411 CD ARG A 28 -2.205 -12.910 -15.417 1.00 0.00 C ATOM 412 NE ARG A 28 -3.637 -12.811 -15.169 1.00 0.00 N ATOM 413 CZ ARG A 28 -4.534 -12.494 -16.098 1.00 0.00 C ATOM 414 NH1 ARG A 28 -4.146 -12.233 -17.343 1.00 0.00 N ATOM 415 NH2 ARG A 28 -5.820 -12.436 -15.778 1.00 0.00 N ATOM 0 H ARG A 28 2.504 -12.403 -14.356 1.00 0.00 H new ATOM 0 HA ARG A 28 0.777 -10.136 -14.219 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.341 -11.939 -15.783 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.338 -13.131 -14.498 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.693 -12.044 -13.525 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.701 -10.904 -14.856 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.004 -12.728 -16.473 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.866 -13.923 -15.198 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.973 -12.996 -14.224 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.157 -12.276 -17.588 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.838 -11.990 -18.052 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.117 -12.634 -14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.512 -12.193 -16.487 1.00 0.00 H new ATOM 429 N PHE A 29 0.087 -10.079 -11.857 1.00 0.00 N ATOM 430 CA PHE A 29 -0.491 -10.015 -10.529 1.00 0.00 C ATOM 431 C PHE A 29 -1.992 -9.762 -10.608 1.00 0.00 C ATOM 432 O PHE A 29 -2.439 -8.630 -10.793 1.00 0.00 O ATOM 433 CB PHE A 29 0.182 -8.925 -9.690 1.00 0.00 C ATOM 434 CG PHE A 29 1.608 -9.233 -9.325 1.00 0.00 C ATOM 435 CD1 PHE A 29 1.903 -10.262 -8.445 1.00 0.00 C ATOM 436 CD2 PHE A 29 2.650 -8.489 -9.852 1.00 0.00 C ATOM 437 CE1 PHE A 29 3.211 -10.544 -8.099 1.00 0.00 C ATOM 438 CE2 PHE A 29 3.960 -8.765 -9.507 1.00 0.00 C ATOM 439 CZ PHE A 29 4.240 -9.793 -8.629 1.00 0.00 C ATOM 0 H PHE A 29 0.223 -9.171 -12.301 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.322 -10.977 -10.045 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.153 -7.985 -10.242 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.393 -8.776 -8.776 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.101 -10.851 -8.024 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.437 -7.684 -10.540 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.427 -11.351 -7.415 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.764 -8.177 -9.924 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.263 -10.009 -8.357 1.00 0.00 H new ATOM 449 N SER A 30 -2.761 -10.833 -10.499 1.00 0.00 N ATOM 450 CA SER A 30 -4.211 -10.743 -10.436 1.00 0.00 C ATOM 451 C SER A 30 -4.660 -10.861 -8.983 1.00 0.00 C ATOM 452 O SER A 30 -5.755 -11.330 -8.685 1.00 0.00 O ATOM 453 CB SER A 30 -4.844 -11.848 -11.286 1.00 0.00 C ATOM 454 OG SER A 30 -4.415 -11.761 -12.637 1.00 0.00 O ATOM 0 H SER A 30 -2.400 -11.786 -10.452 1.00 0.00 H new ATOM 0 HA SER A 30 -4.535 -9.780 -10.832 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.577 -12.823 -10.878 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.930 -11.770 -11.240 1.00 0.00 H new ATOM 0 HG SER A 30 -5.194 -11.791 -13.230 1.00 0.00 H new ATOM 460 N HIS A 31 -3.788 -10.427 -8.086 1.00 0.00 N ATOM 461 CA HIS A 31 -4.045 -10.491 -6.657 1.00 0.00 C ATOM 462 C HIS A 31 -3.366 -9.317 -5.967 1.00 0.00 C ATOM 463 O HIS A 31 -2.404 -8.762 -6.496 1.00 0.00 O ATOM 464 CB HIS A 31 -3.547 -11.823 -6.072 1.00 0.00 C ATOM 465 CG HIS A 31 -2.061 -12.037 -6.177 1.00 0.00 C ATOM 466 ND1 HIS A 31 -1.063 -11.778 -5.296 1.00 0.00 N flip ATOM 467 CD2 HIS A 31 -1.451 -12.592 -7.284 1.00 0.00 C flip ATOM 468 CE1 HIS A 31 0.114 -12.180 -5.879 1.00 0.00 C flip ATOM 469 NE2 HIS A 31 -0.151 -12.668 -7.077 1.00 0.00 N flip ATOM 0 H HIS A 31 -2.884 -10.021 -8.328 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.120 -10.433 -6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -3.835 -11.874 -5.022 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.056 -12.641 -6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.960 -12.914 -8.181 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.094 -12.109 -5.431 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.535 -13.041 -7.733 1.00 0.00 H new ATOM 478 N ALA A 32 -3.871 -8.947 -4.797 1.00 0.00 N ATOM 479 CA ALA A 32 -3.338 -7.811 -4.052 1.00 0.00 C ATOM 480 C ALA A 32 -1.872 -8.022 -3.690 1.00 0.00 C ATOM 481 O ALA A 32 -1.474 -9.115 -3.274 1.00 0.00 O ATOM 482 CB ALA A 32 -4.162 -7.569 -2.800 1.00 0.00 C ATOM 0 H ALA A 32 -4.652 -9.419 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.400 -6.931 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.753 -6.719 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.194 -7.359 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.131 -8.456 -2.167 1.00 0.00 H new ATOM 488 N ILE A 33 -1.075 -6.975 -3.855 1.00 0.00 N ATOM 489 CA ILE A 33 0.359 -7.053 -3.604 1.00 0.00 C ATOM 490 C ILE A 33 0.861 -5.815 -2.873 1.00 0.00 C ATOM 491 O ILE A 33 0.308 -4.724 -3.024 1.00 0.00 O ATOM 492 CB ILE A 33 1.163 -7.210 -4.913 1.00 0.00 C ATOM 493 CG1 ILE A 33 0.759 -6.129 -5.925 1.00 0.00 C ATOM 494 CG2 ILE A 33 0.972 -8.601 -5.496 1.00 0.00 C ATOM 495 CD1 ILE A 33 1.569 -6.153 -7.204 1.00 0.00 C ATOM 0 H ILE A 33 -1.398 -6.058 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 33 0.513 -7.935 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 33 2.222 -7.083 -4.686 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.296 -6.252 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.865 -5.150 -5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.547 -8.691 -6.418 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.317 -9.346 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.084 -8.764 -5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.224 -5.360 -7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.622 -5.998 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.444 -7.118 -7.696 1.00 0.00 H new ATOM 507 N ALA A 34 1.904 -5.999 -2.079 1.00 0.00 N ATOM 508 CA ALA A 34 2.545 -4.903 -1.374 1.00 0.00 C ATOM 509 C ALA A 34 4.057 -5.025 -1.495 1.00 0.00 C ATOM 510 O ALA A 34 4.621 -6.074 -1.183 1.00 0.00 O ATOM 511 CB ALA A 34 2.125 -4.896 0.089 1.00 0.00 C ATOM 0 H ALA A 34 2.328 -6.910 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 34 2.231 -3.961 -1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.614 -4.069 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.044 -4.777 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.416 -5.837 0.556 1.00 0.00 H new ATOM 517 N PHE A 35 4.712 -3.973 -1.966 1.00 0.00 N ATOM 518 CA PHE A 35 6.154 -4.018 -2.170 1.00 0.00 C ATOM 519 C PHE A 35 6.800 -2.657 -1.943 1.00 0.00 C ATOM 520 O PHE A 35 6.144 -1.613 -2.033 1.00 0.00 O ATOM 521 CB PHE A 35 6.492 -4.551 -3.573 1.00 0.00 C ATOM 522 CG PHE A 35 5.854 -3.795 -4.709 1.00 0.00 C ATOM 523 CD1 PHE A 35 4.576 -4.116 -5.141 1.00 0.00 C ATOM 524 CD2 PHE A 35 6.537 -2.778 -5.354 1.00 0.00 C ATOM 525 CE1 PHE A 35 3.992 -3.436 -6.191 1.00 0.00 C ATOM 526 CE2 PHE A 35 5.958 -2.092 -6.405 1.00 0.00 C ATOM 527 CZ PHE A 35 4.685 -2.422 -6.824 1.00 0.00 C ATOM 0 H PHE A 35 4.273 -3.086 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 35 6.565 -4.704 -1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 35 7.574 -4.529 -3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.185 -5.595 -3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.031 -4.908 -4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.534 -2.517 -5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.996 -3.696 -6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.501 -1.299 -6.898 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.231 -1.888 -7.646 1.00 0.00 H new ATOM 537 N ALA A 36 8.093 -2.682 -1.647 1.00 0.00 N ATOM 538 CA ALA A 36 8.855 -1.472 -1.372 1.00 0.00 C ATOM 539 C ALA A 36 10.161 -1.478 -2.165 1.00 0.00 C ATOM 540 O ALA A 36 10.659 -2.543 -2.527 1.00 0.00 O ATOM 541 CB ALA A 36 9.140 -1.363 0.121 1.00 0.00 C ATOM 0 H ALA A 36 8.642 -3.540 -1.591 1.00 0.00 H new ATOM 0 HA ALA A 36 8.268 -0.607 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.710 -0.455 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.199 -1.326 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.715 -2.230 0.446 1.00 0.00 H new ATOM 547 N PRO A 37 10.737 -0.294 -2.446 1.00 0.00 N ATOM 548 CA PRO A 37 11.992 -0.180 -3.205 1.00 0.00 C ATOM 549 C PRO A 37 13.184 -0.781 -2.460 1.00 0.00 C ATOM 550 O PRO A 37 14.190 -1.148 -3.065 1.00 0.00 O ATOM 551 CB PRO A 37 12.182 1.331 -3.378 1.00 0.00 C ATOM 552 CG PRO A 37 11.371 1.950 -2.293 1.00 0.00 C ATOM 553 CD PRO A 37 10.206 1.029 -2.067 1.00 0.00 C ATOM 0 HA PRO A 37 11.938 -0.725 -4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 37 13.233 1.609 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.844 1.661 -4.360 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.960 2.064 -1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.031 2.945 -2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.875 1.047 -1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.349 1.308 -2.679 1.00 0.00 H new ATOM 561 N GLU A 38 13.064 -0.875 -1.143 1.00 0.00 N ATOM 562 CA GLU A 38 14.112 -1.463 -0.322 1.00 0.00 C ATOM 563 C GLU A 38 13.574 -2.722 0.358 1.00 0.00 C ATOM 564 O GLU A 38 14.093 -3.176 1.377 1.00 0.00 O ATOM 565 CB GLU A 38 14.606 -0.445 0.718 1.00 0.00 C ATOM 566 CG GLU A 38 15.921 -0.827 1.383 1.00 0.00 C ATOM 567 CD GLU A 38 16.371 0.191 2.410 1.00 0.00 C ATOM 568 OE1 GLU A 38 15.996 0.053 3.592 1.00 0.00 O ATOM 569 OE2 GLU A 38 17.109 1.133 2.044 1.00 0.00 O ATOM 0 H GLU A 38 12.250 -0.551 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 38 14.959 -1.737 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.724 0.525 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.843 -0.327 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.812 -1.799 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 38 16.692 -0.934 0.620 1.00 0.00 H new ATOM 576 N GLY A 39 12.535 -3.296 -0.231 1.00 0.00 N ATOM 577 CA GLY A 39 11.917 -4.472 0.338 1.00 0.00 C ATOM 578 C GLY A 39 11.480 -5.456 -0.727 1.00 0.00 C ATOM 579 O GLY A 39 11.712 -5.228 -1.914 1.00 0.00 O ATOM 0 H GLY A 39 12.109 -2.965 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.619 -4.959 1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.054 -4.175 0.934 1.00 0.00 H new ATOM 583 N PRO A 40 10.850 -6.568 -0.330 1.00 0.00 N ATOM 584 CA PRO A 40 10.367 -7.582 -1.257 1.00 0.00 C ATOM 585 C PRO A 40 8.936 -7.312 -1.717 1.00 0.00 C ATOM 586 O PRO A 40 8.373 -6.252 -1.439 1.00 0.00 O ATOM 587 CB PRO A 40 10.424 -8.845 -0.405 1.00 0.00 C ATOM 588 CG PRO A 40 10.105 -8.377 0.977 1.00 0.00 C ATOM 589 CD PRO A 40 10.558 -6.936 1.068 1.00 0.00 C ATOM 0 HA PRO A 40 10.951 -7.628 -2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.705 -9.589 -0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.409 -9.310 -0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.036 -8.459 1.176 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.615 -8.990 1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.783 -6.300 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.440 -6.833 1.701 1.00 0.00 H new ATOM 597 N VAL A 41 8.357 -8.276 -2.421 1.00 0.00 N ATOM 598 CA VAL A 41 6.973 -8.185 -2.859 1.00 0.00 C ATOM 599 C VAL A 41 6.133 -9.210 -2.106 1.00 0.00 C ATOM 600 O VAL A 41 6.339 -10.413 -2.252 1.00 0.00 O ATOM 601 CB VAL A 41 6.835 -8.435 -4.378 1.00 0.00 C ATOM 602 CG1 VAL A 41 5.397 -8.221 -4.831 1.00 0.00 C ATOM 603 CG2 VAL A 41 7.786 -7.542 -5.162 1.00 0.00 C ATOM 0 H VAL A 41 8.830 -9.135 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 41 6.623 -7.175 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 41 7.104 -9.473 -4.577 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.323 -8.402 -5.903 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.742 -8.911 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.096 -7.196 -4.615 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.671 -7.736 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.556 -6.497 -4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.813 -7.753 -4.864 1.00 0.00 H new ATOM 613 N ALA A 42 5.208 -8.733 -1.291 1.00 0.00 N ATOM 614 CA ALA A 42 4.375 -9.613 -0.489 1.00 0.00 C ATOM 615 C ALA A 42 2.973 -9.726 -1.072 1.00 0.00 C ATOM 616 O ALA A 42 2.490 -8.810 -1.744 1.00 0.00 O ATOM 617 CB ALA A 42 4.311 -9.112 0.946 1.00 0.00 C ATOM 0 H ALA A 42 5.014 -7.739 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 42 4.824 -10.606 -0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.684 -9.780 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.316 -9.089 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.888 -8.108 0.962 1.00 0.00 H new ATOM 623 N SER A 43 2.332 -10.858 -0.825 1.00 0.00 N ATOM 624 CA SER A 43 0.969 -11.081 -1.263 1.00 0.00 C ATOM 625 C SER A 43 -0.012 -10.651 -0.176 1.00 0.00 C ATOM 626 O SER A 43 0.091 -11.081 0.973 1.00 0.00 O ATOM 627 CB SER A 43 0.776 -12.557 -1.620 1.00 0.00 C ATOM 628 OG SER A 43 1.409 -13.399 -0.668 1.00 0.00 O ATOM 0 H SER A 43 2.742 -11.642 -0.318 1.00 0.00 H new ATOM 0 HA SER A 43 0.774 -10.480 -2.151 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.288 -12.788 -1.664 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.185 -12.751 -2.611 1.00 0.00 H new ATOM 0 HG SER A 43 1.270 -14.337 -0.917 1.00 0.00 H new ATOM 634 N TRP A 44 -0.952 -9.793 -0.539 1.00 0.00 N ATOM 635 CA TRP A 44 -1.895 -9.251 0.425 1.00 0.00 C ATOM 636 C TRP A 44 -3.237 -9.975 0.312 1.00 0.00 C ATOM 637 O TRP A 44 -3.869 -9.965 -0.742 1.00 0.00 O ATOM 638 CB TRP A 44 -2.062 -7.746 0.190 1.00 0.00 C ATOM 639 CG TRP A 44 -2.230 -6.951 1.451 1.00 0.00 C ATOM 640 CD1 TRP A 44 -1.723 -7.248 2.683 1.00 0.00 C ATOM 641 CD2 TRP A 44 -2.931 -5.710 1.595 1.00 0.00 C ATOM 642 NE1 TRP A 44 -2.077 -6.277 3.586 1.00 0.00 N ATOM 643 CE2 TRP A 44 -2.818 -5.322 2.943 1.00 0.00 C ATOM 644 CE3 TRP A 44 -3.648 -4.892 0.717 1.00 0.00 C ATOM 645 CZ2 TRP A 44 -3.392 -4.152 3.432 1.00 0.00 C ATOM 646 CZ3 TRP A 44 -4.218 -3.732 1.204 1.00 0.00 C ATOM 647 CH2 TRP A 44 -4.088 -3.371 2.550 1.00 0.00 C ATOM 0 H TRP A 44 -1.082 -9.457 -1.493 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.512 -9.405 1.434 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.192 -7.373 -0.350 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.929 -7.582 -0.450 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.130 -8.120 2.914 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.828 -6.268 4.575 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.754 -5.162 -0.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.292 -3.871 4.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.774 -3.092 0.534 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.546 -2.458 2.900 1.00 0.00 H new ATOM 658 N PRO A 45 -3.683 -10.624 1.399 1.00 0.00 N ATOM 659 CA PRO A 45 -4.908 -11.430 1.413 1.00 0.00 C ATOM 660 C PRO A 45 -6.184 -10.589 1.521 1.00 0.00 C ATOM 661 O PRO A 45 -7.231 -11.087 1.942 1.00 0.00 O ATOM 662 CB PRO A 45 -4.751 -12.312 2.666 1.00 0.00 C ATOM 663 CG PRO A 45 -3.398 -12.001 3.227 1.00 0.00 C ATOM 664 CD PRO A 45 -3.022 -10.647 2.705 1.00 0.00 C ATOM 0 HA PRO A 45 -5.019 -11.989 0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.533 -12.097 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.834 -13.369 2.411 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.420 -12.004 4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.669 -12.751 2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.377 -9.847 3.355 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.942 -10.530 2.617 1.00 0.00 H new ATOM 672 N VAL A 46 -6.100 -9.327 1.131 1.00 0.00 N ATOM 673 CA VAL A 46 -7.244 -8.431 1.196 1.00 0.00 C ATOM 674 C VAL A 46 -8.015 -8.454 -0.121 1.00 0.00 C ATOM 675 O VAL A 46 -7.426 -8.362 -1.197 1.00 0.00 O ATOM 676 CB VAL A 46 -6.807 -6.987 1.526 1.00 0.00 C ATOM 677 CG1 VAL A 46 -8.002 -6.046 1.566 1.00 0.00 C ATOM 678 CG2 VAL A 46 -6.060 -6.952 2.849 1.00 0.00 C ATOM 0 H VAL A 46 -5.249 -8.899 0.765 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.895 -8.782 1.997 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.139 -6.647 0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.663 -5.037 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.498 -6.046 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.703 -6.380 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.758 -5.928 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.710 -7.317 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.175 -7.585 2.784 1.00 0.00 H new ATOM 688 N GLN A 47 -9.330 -8.593 -0.025 1.00 0.00 N ATOM 689 CA GLN A 47 -10.186 -8.660 -1.204 1.00 0.00 C ATOM 690 C GLN A 47 -10.953 -7.359 -1.394 1.00 0.00 C ATOM 691 O GLN A 47 -10.952 -6.768 -2.476 1.00 0.00 O ATOM 692 CB GLN A 47 -11.174 -9.818 -1.071 1.00 0.00 C ATOM 693 CG GLN A 47 -10.554 -11.187 -1.282 1.00 0.00 C ATOM 694 CD GLN A 47 -11.539 -12.310 -1.028 1.00 0.00 C ATOM 695 OE1 GLN A 47 -12.419 -12.204 -0.174 1.00 0.00 O ATOM 696 NE2 GLN A 47 -11.413 -13.386 -1.781 1.00 0.00 N ATOM 0 H GLN A 47 -9.830 -8.662 0.861 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.550 -8.821 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.626 -9.784 -0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.979 -9.680 -1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.179 -11.260 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.697 -11.301 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.670 -13.436 -2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.058 -14.168 -1.666 1.00 0.00 H new ATOM 705 N ARG A 48 -11.609 -6.920 -0.336 1.00 0.00 N ATOM 706 CA ARG A 48 -12.421 -5.719 -0.389 1.00 0.00 C ATOM 707 C ARG A 48 -11.857 -4.662 0.553 1.00 0.00 C ATOM 708 O ARG A 48 -11.435 -4.972 1.671 1.00 0.00 O ATOM 709 CB ARG A 48 -13.875 -6.046 -0.033 1.00 0.00 C ATOM 710 CG ARG A 48 -14.030 -6.681 1.334 1.00 0.00 C ATOM 711 CD ARG A 48 -15.438 -7.196 1.561 1.00 0.00 C ATOM 712 NE ARG A 48 -15.561 -7.801 2.881 1.00 0.00 N ATOM 713 CZ ARG A 48 -15.648 -9.110 3.102 1.00 0.00 C ATOM 714 NH1 ARG A 48 -15.703 -9.960 2.086 1.00 0.00 N ATOM 715 NH2 ARG A 48 -15.686 -9.565 4.347 1.00 0.00 N ATOM 0 H ARG A 48 -11.595 -7.380 0.574 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.399 -5.321 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -14.465 -5.130 -0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.284 -6.719 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.322 -7.503 1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -13.782 -5.951 2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.150 -6.376 1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.690 -7.929 0.795 1.00 0.00 H new ATOM 0 HE ARG A 48 -15.582 -7.179 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.679 -9.612 1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.770 -10.962 2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -15.649 -8.912 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -15.753 -10.568 4.522 1.00 0.00 H new ATOM 729 N PRO A 49 -11.842 -3.398 0.109 1.00 0.00 N ATOM 730 CA PRO A 49 -11.259 -2.291 0.874 1.00 0.00 C ATOM 731 C PRO A 49 -12.039 -1.977 2.152 1.00 0.00 C ATOM 732 O PRO A 49 -11.572 -1.219 3.002 1.00 0.00 O ATOM 733 CB PRO A 49 -11.315 -1.112 -0.103 1.00 0.00 C ATOM 734 CG PRO A 49 -12.416 -1.450 -1.046 1.00 0.00 C ATOM 735 CD PRO A 49 -12.388 -2.945 -1.185 1.00 0.00 C ATOM 0 HA PRO A 49 -10.252 -2.526 1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.514 -0.176 0.418 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.368 -0.989 -0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.378 -1.111 -0.662 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.268 -0.964 -2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.384 -3.351 -1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.760 -3.259 -2.018 1.00 0.00 H new ATOM 743 N ALA A 50 -13.226 -2.560 2.283 1.00 0.00 N ATOM 744 CA ALA A 50 -14.039 -2.383 3.480 1.00 0.00 C ATOM 745 C ALA A 50 -13.523 -3.248 4.629 1.00 0.00 C ATOM 746 O ALA A 50 -13.872 -3.030 5.790 1.00 0.00 O ATOM 747 CB ALA A 50 -15.495 -2.713 3.183 1.00 0.00 C ATOM 0 H ALA A 50 -13.647 -3.160 1.573 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.968 -1.339 3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -16.090 -2.576 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.866 -2.051 2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.573 -3.748 2.850 1.00 0.00 H new ATOM 753 N ASP A 51 -12.679 -4.216 4.303 1.00 0.00 N ATOM 754 CA ASP A 51 -12.139 -5.130 5.302 1.00 0.00 C ATOM 755 C ASP A 51 -10.626 -5.041 5.346 1.00 0.00 C ATOM 756 O ASP A 51 -9.919 -5.990 5.005 1.00 0.00 O ATOM 757 CB ASP A 51 -12.571 -6.573 5.023 1.00 0.00 C ATOM 758 CG ASP A 51 -13.968 -6.877 5.526 1.00 0.00 C ATOM 759 OD1 ASP A 51 -14.942 -6.336 4.966 1.00 0.00 O ATOM 760 OD2 ASP A 51 -14.100 -7.682 6.472 1.00 0.00 O ATOM 0 H ASP A 51 -12.352 -4.390 3.353 1.00 0.00 H new ATOM 0 HA ASP A 51 -12.539 -4.834 6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.528 -6.759 3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.864 -7.256 5.493 1.00 0.00 H new ATOM 765 N ILE A 52 -10.135 -3.874 5.725 1.00 0.00 N ATOM 766 CA ILE A 52 -8.710 -3.667 5.904 1.00 0.00 C ATOM 767 C ILE A 52 -8.415 -3.306 7.353 1.00 0.00 C ATOM 768 O ILE A 52 -8.623 -2.169 7.774 1.00 0.00 O ATOM 769 CB ILE A 52 -8.166 -2.555 4.980 1.00 0.00 C ATOM 770 CG1 ILE A 52 -8.503 -2.855 3.517 1.00 0.00 C ATOM 771 CG2 ILE A 52 -6.660 -2.413 5.158 1.00 0.00 C ATOM 772 CD1 ILE A 52 -8.035 -1.784 2.552 1.00 0.00 C ATOM 0 H ILE A 52 -10.707 -3.051 5.916 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.211 -4.599 5.640 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.642 -1.614 5.255 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.051 -3.807 3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.582 -2.974 3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.289 -1.626 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.439 -2.156 6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.173 -3.355 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.309 -2.066 1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.507 -0.835 2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.952 -1.681 2.621 1.00 0.00 H new ATOM 784 N THR A 53 -7.964 -4.283 8.123 1.00 0.00 N ATOM 785 CA THR A 53 -7.653 -4.065 9.525 1.00 0.00 C ATOM 786 C THR A 53 -6.199 -3.617 9.696 1.00 0.00 C ATOM 787 O THR A 53 -5.364 -3.842 8.814 1.00 0.00 O ATOM 788 CB THR A 53 -7.897 -5.350 10.340 1.00 0.00 C ATOM 789 OG1 THR A 53 -9.063 -6.025 9.847 1.00 0.00 O ATOM 790 CG2 THR A 53 -8.089 -5.027 11.814 1.00 0.00 C ATOM 0 H THR A 53 -7.805 -5.237 7.799 1.00 0.00 H new ATOM 0 HA THR A 53 -8.310 -3.278 9.895 1.00 0.00 H new ATOM 0 HB THR A 53 -7.024 -5.994 10.232 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.213 -6.842 10.367 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.260 -5.949 12.369 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.197 -4.532 12.197 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.949 -4.367 11.933 1.00 0.00 H new ATOM 798 N ALA A 54 -5.908 -2.989 10.833 1.00 0.00 N ATOM 799 CA ALA A 54 -4.570 -2.482 11.136 1.00 0.00 C ATOM 800 C ALA A 54 -3.505 -3.570 11.008 1.00 0.00 C ATOM 801 O ALA A 54 -2.422 -3.330 10.475 1.00 0.00 O ATOM 802 CB ALA A 54 -4.546 -1.890 12.536 1.00 0.00 C ATOM 0 H ALA A 54 -6.592 -2.817 11.570 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.336 -1.707 10.406 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.547 -1.514 12.755 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.263 -1.071 12.597 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.811 -2.659 13.261 1.00 0.00 H new ATOM 808 N SER A 55 -3.826 -4.763 11.489 1.00 0.00 N ATOM 809 CA SER A 55 -2.901 -5.887 11.444 1.00 0.00 C ATOM 810 C SER A 55 -2.514 -6.225 10.004 1.00 0.00 C ATOM 811 O SER A 55 -1.366 -6.567 9.724 1.00 0.00 O ATOM 812 CB SER A 55 -3.541 -7.095 12.123 1.00 0.00 C ATOM 813 OG SER A 55 -4.075 -6.733 13.388 1.00 0.00 O ATOM 0 H SER A 55 -4.726 -4.978 11.918 1.00 0.00 H new ATOM 0 HA SER A 55 -1.989 -5.613 11.974 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.332 -7.498 11.490 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.799 -7.884 12.248 1.00 0.00 H new ATOM 0 HG SER A 55 -4.483 -7.519 13.808 1.00 0.00 H new ATOM 819 N LEU A 56 -3.471 -6.100 9.090 1.00 0.00 N ATOM 820 CA LEU A 56 -3.221 -6.376 7.681 1.00 0.00 C ATOM 821 C LEU A 56 -2.272 -5.332 7.103 1.00 0.00 C ATOM 822 O LEU A 56 -1.424 -5.643 6.267 1.00 0.00 O ATOM 823 CB LEU A 56 -4.534 -6.387 6.889 1.00 0.00 C ATOM 824 CG LEU A 56 -5.581 -7.400 7.363 1.00 0.00 C ATOM 825 CD1 LEU A 56 -6.829 -7.323 6.495 1.00 0.00 C ATOM 826 CD2 LEU A 56 -5.014 -8.810 7.344 1.00 0.00 C ATOM 0 H LEU A 56 -4.426 -5.810 9.300 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.761 -7.361 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.973 -5.390 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.305 -6.590 5.843 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.853 -7.152 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.562 -8.049 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.253 -6.321 6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.567 -7.543 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.775 -9.513 7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.711 -9.067 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.149 -8.863 8.005 1.00 0.00 H new ATOM 838 N LEU A 57 -2.419 -4.098 7.566 1.00 0.00 N ATOM 839 CA LEU A 57 -1.554 -3.009 7.135 1.00 0.00 C ATOM 840 C LEU A 57 -0.131 -3.209 7.650 1.00 0.00 C ATOM 841 O LEU A 57 0.836 -2.918 6.948 1.00 0.00 O ATOM 842 CB LEU A 57 -2.107 -1.669 7.621 1.00 0.00 C ATOM 843 CG LEU A 57 -3.440 -1.249 6.999 1.00 0.00 C ATOM 844 CD1 LEU A 57 -3.967 0.009 7.667 1.00 0.00 C ATOM 845 CD2 LEU A 57 -3.280 -1.021 5.503 1.00 0.00 C ATOM 0 H LEU A 57 -3.132 -3.826 8.243 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.527 -3.006 6.045 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.228 -1.715 8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.369 -0.894 7.416 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.159 -2.053 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.916 0.293 7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.117 -0.179 8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.247 0.818 7.539 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.238 -0.723 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.545 -0.234 5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.942 -1.942 5.029 1.00 0.00 H new ATOM 857 N GLN A 58 -0.009 -3.713 8.876 1.00 0.00 N ATOM 858 CA GLN A 58 1.300 -4.012 9.456 1.00 0.00 C ATOM 859 C GLN A 58 2.027 -5.062 8.621 1.00 0.00 C ATOM 860 O GLN A 58 3.239 -4.976 8.406 1.00 0.00 O ATOM 861 CB GLN A 58 1.156 -4.506 10.896 1.00 0.00 C ATOM 862 CG GLN A 58 0.593 -3.466 11.849 1.00 0.00 C ATOM 863 CD GLN A 58 0.502 -3.976 13.274 1.00 0.00 C ATOM 864 OE1 GLN A 58 0.312 -5.170 13.510 1.00 0.00 O ATOM 865 NE2 GLN A 58 0.646 -3.075 14.233 1.00 0.00 N ATOM 0 H GLN A 58 -0.799 -3.923 9.487 1.00 0.00 H new ATOM 0 HA GLN A 58 1.885 -3.092 9.458 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.508 -5.383 10.906 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.132 -4.827 11.259 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.222 -2.576 11.824 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.398 -3.165 11.510 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.802 -2.096 13.994 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.601 -3.360 15.211 1.00 0.00 H new ATOM 874 N GLN A 59 1.274 -6.047 8.149 1.00 0.00 N ATOM 875 CA GLN A 59 1.820 -7.091 7.296 1.00 0.00 C ATOM 876 C GLN A 59 2.300 -6.509 5.971 1.00 0.00 C ATOM 877 O GLN A 59 3.362 -6.876 5.470 1.00 0.00 O ATOM 878 CB GLN A 59 0.765 -8.169 7.048 1.00 0.00 C ATOM 879 CG GLN A 59 0.368 -8.925 8.305 1.00 0.00 C ATOM 880 CD GLN A 59 -0.784 -9.879 8.072 1.00 0.00 C ATOM 881 OE1 GLN A 59 -1.949 -9.521 8.246 1.00 0.00 O ATOM 882 NE2 GLN A 59 -0.471 -11.101 7.676 1.00 0.00 N ATOM 0 H GLN A 59 0.278 -6.144 8.345 1.00 0.00 H new ATOM 0 HA GLN A 59 2.675 -7.540 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.122 -7.706 6.616 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.146 -8.877 6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.228 -9.483 8.675 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.093 -8.212 9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.507 -11.359 7.543 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.207 -11.785 7.503 1.00 0.00 H new ATOM 891 N ALA A 60 1.523 -5.580 5.427 1.00 0.00 N ATOM 892 CA ALA A 60 1.855 -4.936 4.159 1.00 0.00 C ATOM 893 C ALA A 60 3.062 -4.013 4.306 1.00 0.00 C ATOM 894 O ALA A 60 3.722 -3.678 3.325 1.00 0.00 O ATOM 895 CB ALA A 60 0.659 -4.155 3.638 1.00 0.00 C ATOM 0 H ALA A 60 0.653 -5.253 5.847 1.00 0.00 H new ATOM 0 HA ALA A 60 2.112 -5.716 3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.919 -3.679 2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.180 -4.834 3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.379 -3.391 4.363 1.00 0.00 H new ATOM 901 N ALA A 61 3.340 -3.606 5.537 1.00 0.00 N ATOM 902 CA ALA A 61 4.474 -2.738 5.818 1.00 0.00 C ATOM 903 C ALA A 61 5.767 -3.543 5.923 1.00 0.00 C ATOM 904 O ALA A 61 6.851 -2.978 6.061 1.00 0.00 O ATOM 905 CB ALA A 61 4.229 -1.952 7.096 1.00 0.00 C ATOM 0 H ALA A 61 2.794 -3.864 6.359 1.00 0.00 H new ATOM 0 HA ALA A 61 4.582 -2.037 4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.084 -1.306 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.333 -1.342 6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.094 -2.643 7.928 1.00 0.00 H new ATOM 911 N GLY A 62 5.643 -4.867 5.868 1.00 0.00 N ATOM 912 CA GLY A 62 6.808 -5.731 5.929 1.00 0.00 C ATOM 913 C GLY A 62 7.336 -5.902 7.339 1.00 0.00 C ATOM 914 O GLY A 62 8.447 -6.396 7.540 1.00 0.00 O ATOM 0 H GLY A 62 4.753 -5.357 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.552 -6.709 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.595 -5.318 5.298 1.00 0.00 H new ATOM 918 N LEU A 63 6.523 -5.531 8.322 1.00 0.00 N ATOM 919 CA LEU A 63 6.931 -5.585 9.724 1.00 0.00 C ATOM 920 C LEU A 63 6.985 -7.024 10.235 1.00 0.00 C ATOM 921 O LEU A 63 7.383 -7.277 11.369 1.00 0.00 O ATOM 922 CB LEU A 63 5.963 -4.763 10.578 1.00 0.00 C ATOM 923 CG LEU A 63 5.873 -3.280 10.214 1.00 0.00 C ATOM 924 CD1 LEU A 63 4.809 -2.591 11.051 1.00 0.00 C ATOM 925 CD2 LEU A 63 7.221 -2.600 10.405 1.00 0.00 C ATOM 0 H LEU A 63 5.574 -5.188 8.174 1.00 0.00 H new ATOM 0 HA LEU A 63 7.934 -5.164 9.801 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.969 -5.202 10.496 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.264 -4.847 11.622 1.00 0.00 H new ATOM 0 HG LEU A 63 5.593 -3.201 9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.758 -1.537 10.779 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.842 -3.060 10.868 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.062 -2.681 12.107 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.137 -1.546 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.530 -2.690 11.447 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.963 -3.077 9.764 1.00 0.00 H new ATOM 1274 N ALA A 88 9.554 2.663 11.139 1.00 0.00 N ATOM 1275 CA ALA A 88 8.706 1.917 10.226 1.00 0.00 C ATOM 1276 C ALA A 88 8.620 2.646 8.882 1.00 0.00 C ATOM 1277 O ALA A 88 9.142 3.757 8.757 1.00 0.00 O ATOM 1278 CB ALA A 88 7.328 1.738 10.847 1.00 0.00 C ATOM 0 HA ALA A 88 9.133 0.930 10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.690 1.178 10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.420 1.192 11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.885 2.716 11.038 1.00 0.00 H new ATOM 1284 N PRO A 89 8.012 2.023 7.847 1.00 0.00 N ATOM 1285 CA PRO A 89 7.781 2.682 6.555 1.00 0.00 C ATOM 1286 C PRO A 89 7.180 4.074 6.721 1.00 0.00 C ATOM 1287 O PRO A 89 6.141 4.239 7.358 1.00 0.00 O ATOM 1288 CB PRO A 89 6.791 1.750 5.862 1.00 0.00 C ATOM 1289 CG PRO A 89 7.105 0.405 6.411 1.00 0.00 C ATOM 1290 CD PRO A 89 7.529 0.626 7.839 1.00 0.00 C ATOM 0 HA PRO A 89 8.705 2.835 5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.761 2.035 6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.912 1.776 4.779 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.235 -0.250 6.360 1.00 0.00 H new ATOM 0 HG3 PRO A 89 7.899 -0.074 5.838 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.698 0.485 8.530 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.313 -0.071 8.137 1.00 0.00 H new ATOM 1298 N GLU A 90 7.844 5.066 6.141 1.00 0.00 N ATOM 1299 CA GLU A 90 7.462 6.458 6.327 1.00 0.00 C ATOM 1300 C GLU A 90 6.101 6.748 5.708 1.00 0.00 C ATOM 1301 O GLU A 90 5.254 7.399 6.323 1.00 0.00 O ATOM 1302 CB GLU A 90 8.524 7.378 5.724 1.00 0.00 C ATOM 1303 CG GLU A 90 9.912 7.145 6.296 1.00 0.00 C ATOM 1304 CD GLU A 90 10.941 8.094 5.730 1.00 0.00 C ATOM 1305 OE1 GLU A 90 11.550 7.769 4.690 1.00 0.00 O ATOM 1306 OE2 GLU A 90 11.144 9.178 6.315 1.00 0.00 O ATOM 0 H GLU A 90 8.653 4.930 5.535 1.00 0.00 H new ATOM 0 HA GLU A 90 7.389 6.648 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.553 7.230 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.237 8.415 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.878 7.257 7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.218 6.119 6.091 1.00 0.00 H new ATOM 1313 N VAL A 91 5.889 6.271 4.493 1.00 0.00 N ATOM 1314 CA VAL A 91 4.612 6.475 3.827 1.00 0.00 C ATOM 1315 C VAL A 91 4.115 5.186 3.174 1.00 0.00 C ATOM 1316 O VAL A 91 4.871 4.472 2.511 1.00 0.00 O ATOM 1317 CB VAL A 91 4.692 7.626 2.793 1.00 0.00 C ATOM 1318 CG1 VAL A 91 5.839 7.416 1.824 1.00 0.00 C ATOM 1319 CG2 VAL A 91 3.377 7.781 2.040 1.00 0.00 C ATOM 0 H VAL A 91 6.576 5.745 3.952 1.00 0.00 H new ATOM 0 HA VAL A 91 3.888 6.763 4.590 1.00 0.00 H new ATOM 0 HB VAL A 91 4.879 8.548 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.869 8.240 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.779 7.379 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.695 6.478 1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.463 8.596 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.148 6.855 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.577 8.003 2.746 1.00 0.00 H new ATOM 1329 N LEU A 92 2.844 4.886 3.396 1.00 0.00 N ATOM 1330 CA LEU A 92 2.212 3.705 2.833 1.00 0.00 C ATOM 1331 C LEU A 92 1.085 4.124 1.901 1.00 0.00 C ATOM 1332 O LEU A 92 0.160 4.826 2.311 1.00 0.00 O ATOM 1333 CB LEU A 92 1.665 2.813 3.953 1.00 0.00 C ATOM 1334 CG LEU A 92 0.956 1.534 3.493 1.00 0.00 C ATOM 1335 CD1 LEU A 92 1.928 0.600 2.794 1.00 0.00 C ATOM 1336 CD2 LEU A 92 0.301 0.834 4.675 1.00 0.00 C ATOM 0 H LEU A 92 2.223 5.455 3.971 1.00 0.00 H new ATOM 0 HA LEU A 92 2.953 3.139 2.268 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.491 2.534 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.968 3.399 4.552 1.00 0.00 H new ATOM 0 HG LEU A 92 0.179 1.812 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.403 -0.301 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.350 1.100 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.730 0.329 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.198 -0.072 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.062 0.572 5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.431 1.500 5.132 1.00 0.00 H new ATOM 1348 N LEU A 93 1.171 3.705 0.650 1.00 0.00 N ATOM 1349 CA LEU A 93 0.162 4.049 -0.339 1.00 0.00 C ATOM 1350 C LEU A 93 -0.723 2.848 -0.637 1.00 0.00 C ATOM 1351 O LEU A 93 -0.279 1.869 -1.238 1.00 0.00 O ATOM 1352 CB LEU A 93 0.819 4.549 -1.628 1.00 0.00 C ATOM 1353 CG LEU A 93 1.665 5.814 -1.481 1.00 0.00 C ATOM 1354 CD1 LEU A 93 2.301 6.184 -2.811 1.00 0.00 C ATOM 1355 CD2 LEU A 93 0.820 6.967 -0.958 1.00 0.00 C ATOM 0 H LEU A 93 1.931 3.125 0.294 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.456 4.848 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.449 3.754 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.038 4.737 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 93 2.458 5.615 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.900 7.087 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.940 5.368 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.520 6.363 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.441 7.858 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.006 7.167 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.408 6.703 0.016 1.00 0.00 H new ATOM 1367 N VAL A 94 -1.965 2.920 -0.198 1.00 0.00 N ATOM 1368 CA VAL A 94 -2.924 1.857 -0.444 1.00 0.00 C ATOM 1369 C VAL A 94 -3.741 2.165 -1.691 1.00 0.00 C ATOM 1370 O VAL A 94 -4.386 3.211 -1.777 1.00 0.00 O ATOM 1371 CB VAL A 94 -3.876 1.658 0.758 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -4.860 0.527 0.495 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -3.081 1.391 2.028 1.00 0.00 C ATOM 0 H VAL A 94 -2.336 3.707 0.334 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.361 0.935 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.448 2.576 0.893 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.517 0.409 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.456 0.761 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.312 -0.400 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.767 1.253 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.481 0.490 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.426 2.238 2.232 1.00 0.00 H new ATOM 1383 N GLY A 95 -3.685 1.262 -2.657 1.00 0.00 N ATOM 1384 CA GLY A 95 -4.446 1.415 -3.874 1.00 0.00 C ATOM 1385 C GLY A 95 -5.780 0.711 -3.780 1.00 0.00 C ATOM 1386 O GLY A 95 -5.840 -0.515 -3.822 1.00 0.00 O ATOM 0 H GLY A 95 -3.117 0.416 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.605 2.474 -4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -3.879 1.013 -4.713 1.00 0.00 H new ATOM 1390 N THR A 96 -6.840 1.493 -3.648 1.00 0.00 N ATOM 1391 CA THR A 96 -8.182 0.971 -3.448 1.00 0.00 C ATOM 1392 C THR A 96 -8.625 0.078 -4.606 1.00 0.00 C ATOM 1393 O THR A 96 -9.112 -1.033 -4.391 1.00 0.00 O ATOM 1394 CB THR A 96 -9.181 2.127 -3.271 1.00 0.00 C ATOM 1395 OG1 THR A 96 -9.016 3.084 -4.328 1.00 0.00 O ATOM 1396 CG2 THR A 96 -8.976 2.812 -1.928 1.00 0.00 C ATOM 0 H THR A 96 -6.793 2.512 -3.677 1.00 0.00 H new ATOM 0 HA THR A 96 -8.163 0.362 -2.544 1.00 0.00 H new ATOM 0 HB THR A 96 -10.190 1.717 -3.306 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.656 3.816 -4.209 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.692 3.627 -1.822 1.00 0.00 H new ATOM 0 HG22 THR A 96 -9.126 2.090 -1.125 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.963 3.210 -1.874 1.00 0.00 H new ATOM 1404 N GLY A 97 -8.465 0.579 -5.825 1.00 0.00 N ATOM 1405 CA GLY A 97 -8.769 -0.206 -7.008 1.00 0.00 C ATOM 1406 C GLY A 97 -10.256 -0.424 -7.213 1.00 0.00 C ATOM 1407 O GLY A 97 -10.880 0.245 -8.035 1.00 0.00 O ATOM 0 H GLY A 97 -8.128 1.522 -6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.357 0.295 -7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.273 -1.174 -6.932 1.00 0.00 H new ATOM 1411 N ARG A 98 -10.820 -1.355 -6.453 1.00 0.00 N ATOM 1412 CA ARG A 98 -12.222 -1.729 -6.599 1.00 0.00 C ATOM 1413 C ARG A 98 -13.160 -0.618 -6.134 1.00 0.00 C ATOM 1414 O ARG A 98 -14.209 -0.399 -6.738 1.00 0.00 O ATOM 1415 CB ARG A 98 -12.516 -3.020 -5.831 1.00 0.00 C ATOM 1416 CG ARG A 98 -12.024 -4.272 -6.538 1.00 0.00 C ATOM 1417 CD ARG A 98 -12.310 -5.523 -5.723 1.00 0.00 C ATOM 1418 NE ARG A 98 -12.239 -6.732 -6.543 1.00 0.00 N ATOM 1419 CZ ARG A 98 -11.960 -7.947 -6.066 1.00 0.00 C ATOM 1420 NH1 ARG A 98 -11.639 -8.118 -4.791 1.00 0.00 N ATOM 1421 NH2 ARG A 98 -11.984 -8.996 -6.874 1.00 0.00 N ATOM 0 H ARG A 98 -10.324 -1.868 -5.724 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.403 -1.894 -7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.051 -2.962 -4.847 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.591 -3.101 -5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.506 -4.354 -7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.952 -4.191 -6.718 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.593 -5.596 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.300 -5.446 -5.274 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.414 -6.641 -7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.603 -7.316 -4.162 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.428 -9.052 -4.439 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.216 -8.875 -7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.771 -9.925 -6.510 1.00 0.00 H new ATOM 1435 N ARG A 99 -12.789 0.069 -5.059 1.00 0.00 N ATOM 1436 CA ARG A 99 -13.600 1.158 -4.527 1.00 0.00 C ATOM 1437 C ARG A 99 -12.810 1.976 -3.514 1.00 0.00 C ATOM 1438 O ARG A 99 -12.045 1.425 -2.723 1.00 0.00 O ATOM 1439 CB ARG A 99 -14.884 0.616 -3.883 1.00 0.00 C ATOM 1440 CG ARG A 99 -15.650 1.662 -3.086 1.00 0.00 C ATOM 1441 CD ARG A 99 -17.069 1.218 -2.770 1.00 0.00 C ATOM 1442 NE ARG A 99 -17.911 1.180 -3.965 1.00 0.00 N ATOM 1443 CZ ARG A 99 -18.511 2.250 -4.488 1.00 0.00 C ATOM 1444 NH1 ARG A 99 -18.341 3.448 -3.938 1.00 0.00 N ATOM 1445 NH2 ARG A 99 -19.277 2.116 -5.561 1.00 0.00 N ATOM 0 H ARG A 99 -11.930 -0.109 -4.538 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.875 1.808 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -15.533 0.218 -4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.629 -0.215 -3.226 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.120 1.868 -2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.680 2.595 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -17.046 0.229 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.507 1.898 -2.039 1.00 0.00 H new ATOM 0 HE ARG A 99 -18.048 0.281 -4.426 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.750 3.551 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.802 4.264 -4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.406 1.197 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -19.738 2.932 -5.964 1.00 0.00 H new ATOM 1459 N GLN A 100 -12.995 3.291 -3.552 1.00 0.00 N ATOM 1460 CA GLN A 100 -12.331 4.189 -2.630 1.00 0.00 C ATOM 1461 C GLN A 100 -12.898 4.039 -1.225 1.00 0.00 C ATOM 1462 O GLN A 100 -14.011 4.485 -0.946 1.00 0.00 O ATOM 1463 CB GLN A 100 -12.505 5.639 -3.081 1.00 0.00 C ATOM 1464 CG GLN A 100 -11.966 5.944 -4.467 1.00 0.00 C ATOM 1465 CD GLN A 100 -12.108 7.412 -4.825 1.00 0.00 C ATOM 1466 OE1 GLN A 100 -13.009 8.097 -4.339 1.00 0.00 O ATOM 1467 NE2 GLN A 100 -11.233 7.905 -5.685 1.00 0.00 N ATOM 0 H GLN A 100 -13.607 3.757 -4.221 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.272 3.931 -2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.566 5.887 -3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.008 6.290 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.915 5.659 -4.517 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -12.496 5.339 -5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.500 7.307 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.291 8.884 -5.967 1.00 0.00 H new ATOM 1476 N HIS A 101 -12.146 3.395 -0.352 1.00 0.00 N ATOM 1477 CA HIS A 101 -12.508 3.329 1.053 1.00 0.00 C ATOM 1478 C HIS A 101 -11.433 3.999 1.884 1.00 0.00 C ATOM 1479 O HIS A 101 -10.313 3.494 1.982 1.00 0.00 O ATOM 1480 CB HIS A 101 -12.694 1.882 1.518 1.00 0.00 C ATOM 1481 CG HIS A 101 -13.019 1.758 2.981 1.00 0.00 C ATOM 1482 ND1 HIS A 101 -12.062 1.530 3.950 1.00 0.00 N ATOM 1483 CD2 HIS A 101 -14.201 1.834 3.638 1.00 0.00 C ATOM 1484 CE1 HIS A 101 -12.641 1.478 5.136 1.00 0.00 C ATOM 1485 NE2 HIS A 101 -13.937 1.659 4.974 1.00 0.00 N ATOM 0 H HIS A 101 -11.281 2.910 -0.590 1.00 0.00 H new ATOM 0 HA HIS A 101 -13.458 3.848 1.184 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -13.493 1.422 0.936 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.783 1.321 1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -15.171 2.001 3.194 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.139 1.315 6.078 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.632 1.668 5.721 1.00 0.00 H new ATOM 1494 N LEU A 102 -11.773 5.130 2.467 1.00 0.00 N ATOM 1495 CA LEU A 102 -10.847 5.850 3.320 1.00 0.00 C ATOM 1496 C LEU A 102 -10.672 5.091 4.626 1.00 0.00 C ATOM 1497 O LEU A 102 -11.655 4.683 5.247 1.00 0.00 O ATOM 1498 CB LEU A 102 -11.356 7.268 3.586 1.00 0.00 C ATOM 1499 CG LEU A 102 -11.563 8.127 2.336 1.00 0.00 C ATOM 1500 CD1 LEU A 102 -12.125 9.487 2.712 1.00 0.00 C ATOM 1501 CD2 LEU A 102 -10.257 8.283 1.568 1.00 0.00 C ATOM 0 H LEU A 102 -12.686 5.572 2.366 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.882 5.927 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -12.301 7.203 4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.649 7.774 4.243 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.282 7.623 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.266 10.084 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -13.083 9.358 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.430 9.996 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.426 8.897 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.515 8.763 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.894 7.301 1.264 1.00 0.00 H new ATOM 1513 N LEU A 103 -9.429 4.873 5.022 1.00 0.00 N ATOM 1514 CA LEU A 103 -9.145 4.149 6.251 1.00 0.00 C ATOM 1515 C LEU A 103 -9.453 5.022 7.460 1.00 0.00 C ATOM 1516 O LEU A 103 -9.374 6.248 7.384 1.00 0.00 O ATOM 1517 CB LEU A 103 -7.686 3.690 6.278 1.00 0.00 C ATOM 1518 CG LEU A 103 -7.290 2.726 5.156 1.00 0.00 C ATOM 1519 CD1 LEU A 103 -5.825 2.343 5.274 1.00 0.00 C ATOM 1520 CD2 LEU A 103 -8.168 1.481 5.184 1.00 0.00 C ATOM 0 H LEU A 103 -8.602 5.186 4.513 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.782 3.266 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.043 4.569 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.490 3.209 7.236 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.439 3.232 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.562 1.658 4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.208 3.239 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.652 1.857 6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.871 0.808 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.051 0.975 6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.211 1.768 5.051 1.00 0.00 H new ATOM 1532 N GLY A 104 -9.800 4.392 8.569 1.00 0.00 N ATOM 1533 CA GLY A 104 -10.192 5.141 9.742 1.00 0.00 C ATOM 1534 C GLY A 104 -9.123 5.131 10.812 1.00 0.00 C ATOM 1535 O GLY A 104 -8.196 4.323 10.756 1.00 0.00 O ATOM 0 H GLY A 104 -9.817 3.378 8.678 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.409 6.171 9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.113 4.722 10.147 1.00 0.00 H new ATOM 1539 N PRO A 105 -9.236 6.026 11.808 1.00 0.00 N ATOM 1540 CA PRO A 105 -8.242 6.165 12.880 1.00 0.00 C ATOM 1541 C PRO A 105 -8.004 4.860 13.636 1.00 0.00 C ATOM 1542 O PRO A 105 -6.901 4.596 14.100 1.00 0.00 O ATOM 1543 CB PRO A 105 -8.851 7.219 13.816 1.00 0.00 C ATOM 1544 CG PRO A 105 -10.287 7.315 13.427 1.00 0.00 C ATOM 1545 CD PRO A 105 -10.339 6.985 11.965 1.00 0.00 C ATOM 0 HA PRO A 105 -7.267 6.445 12.482 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.746 6.924 14.860 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.349 8.180 13.704 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.896 6.621 14.006 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -10.677 8.315 13.616 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -11.297 6.549 11.683 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -10.197 7.870 11.345 1.00 0.00 H new ATOM 1553 N GLU A 106 -9.043 4.039 13.727 1.00 0.00 N ATOM 1554 CA GLU A 106 -8.957 2.758 14.417 1.00 0.00 C ATOM 1555 C GLU A 106 -8.029 1.801 13.667 1.00 0.00 C ATOM 1556 O GLU A 106 -7.428 0.904 14.257 1.00 0.00 O ATOM 1557 CB GLU A 106 -10.357 2.146 14.533 1.00 0.00 C ATOM 1558 CG GLU A 106 -10.427 0.911 15.416 1.00 0.00 C ATOM 1559 CD GLU A 106 -9.982 1.189 16.836 1.00 0.00 C ATOM 1560 OE1 GLU A 106 -10.403 2.218 17.407 1.00 0.00 O ATOM 1561 OE2 GLU A 106 -9.216 0.381 17.392 1.00 0.00 O ATOM 0 H GLU A 106 -9.960 4.239 13.329 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.546 2.922 15.413 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -11.039 2.900 14.927 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -10.711 1.886 13.535 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -11.449 0.533 15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.801 0.127 14.989 1.00 0.00 H new ATOM 1568 N GLN A 107 -7.902 2.019 12.364 1.00 0.00 N ATOM 1569 CA GLN A 107 -7.145 1.123 11.502 1.00 0.00 C ATOM 1570 C GLN A 107 -5.716 1.621 11.283 1.00 0.00 C ATOM 1571 O GLN A 107 -4.823 0.838 10.973 1.00 0.00 O ATOM 1572 CB GLN A 107 -7.866 0.972 10.162 1.00 0.00 C ATOM 1573 CG GLN A 107 -9.223 0.302 10.296 1.00 0.00 C ATOM 1574 CD GLN A 107 -10.104 0.493 9.078 1.00 0.00 C ATOM 1575 OE1 GLN A 107 -10.031 1.512 8.389 1.00 0.00 O ATOM 1576 NE2 GLN A 107 -10.955 -0.486 8.812 1.00 0.00 N ATOM 0 H GLN A 107 -8.317 2.815 11.879 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.079 0.153 11.994 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.995 1.956 9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.243 0.389 9.483 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.079 -0.765 10.469 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.734 0.701 11.172 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.983 -1.313 9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.582 -0.413 8.011 1.00 0.00 H new ATOM 1585 N VAL A 108 -5.501 2.917 11.453 1.00 0.00 N ATOM 1586 CA VAL A 108 -4.181 3.497 11.219 1.00 0.00 C ATOM 1587 C VAL A 108 -3.479 3.867 12.523 1.00 0.00 C ATOM 1588 O VAL A 108 -2.301 4.223 12.513 1.00 0.00 O ATOM 1589 CB VAL A 108 -4.260 4.743 10.311 1.00 0.00 C ATOM 1590 CG1 VAL A 108 -4.774 4.368 8.931 1.00 0.00 C ATOM 1591 CG2 VAL A 108 -5.133 5.822 10.935 1.00 0.00 C ATOM 0 H VAL A 108 -6.214 3.584 11.749 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.597 2.727 10.716 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.253 5.146 10.206 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.822 5.260 8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.100 3.642 8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -5.769 3.932 9.019 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -5.170 6.688 10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.141 5.434 11.082 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.714 6.118 11.897 1.00 0.00 H new ATOM 1601 N ARG A 109 -4.200 3.762 13.636 1.00 0.00 N ATOM 1602 CA ARG A 109 -3.680 4.167 14.949 1.00 0.00 C ATOM 1603 C ARG A 109 -2.335 3.500 15.284 1.00 0.00 C ATOM 1604 O ARG A 109 -1.364 4.198 15.579 1.00 0.00 O ATOM 1605 CB ARG A 109 -4.698 3.859 16.051 1.00 0.00 C ATOM 1606 CG ARG A 109 -4.297 4.382 17.421 1.00 0.00 C ATOM 1607 CD ARG A 109 -5.213 3.846 18.506 1.00 0.00 C ATOM 1608 NE ARG A 109 -5.042 2.404 18.694 1.00 0.00 N ATOM 1609 CZ ARG A 109 -6.003 1.503 18.499 1.00 0.00 C ATOM 1610 NH1 ARG A 109 -7.201 1.886 18.083 1.00 0.00 N ATOM 1611 NH2 ARG A 109 -5.761 0.216 18.728 1.00 0.00 N ATOM 0 H ARG A 109 -5.153 3.398 13.659 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.510 5.242 14.897 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -5.660 4.291 15.775 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -4.839 2.780 16.111 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -3.268 4.094 17.636 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.329 5.472 17.420 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -5.008 4.362 19.444 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -6.250 4.059 18.245 1.00 0.00 H new ATOM 0 HE ARG A 109 -4.127 2.068 18.994 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -7.390 2.874 17.911 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -7.935 1.193 17.935 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -4.840 -0.080 19.053 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.496 -0.475 18.579 1.00 0.00 H new ATOM 1625 N PRO A 110 -2.240 2.147 15.251 1.00 0.00 N ATOM 1626 CA PRO A 110 -0.992 1.446 15.583 1.00 0.00 C ATOM 1627 C PRO A 110 0.169 1.876 14.692 1.00 0.00 C ATOM 1628 O PRO A 110 1.317 1.932 15.132 1.00 0.00 O ATOM 1629 CB PRO A 110 -1.327 -0.032 15.349 1.00 0.00 C ATOM 1630 CG PRO A 110 -2.810 -0.108 15.442 1.00 0.00 C ATOM 1631 CD PRO A 110 -3.319 1.197 14.907 1.00 0.00 C ATOM 0 HA PRO A 110 -0.668 1.663 16.601 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -0.975 -0.367 14.374 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.851 -0.668 16.096 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.196 -0.946 14.862 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.130 -0.260 16.473 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.488 1.153 13.831 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.266 1.479 15.367 1.00 0.00 H new ATOM 1639 N LEU A 111 -0.139 2.204 13.443 1.00 0.00 N ATOM 1640 CA LEU A 111 0.882 2.608 12.489 1.00 0.00 C ATOM 1641 C LEU A 111 1.307 4.051 12.728 1.00 0.00 C ATOM 1642 O LEU A 111 2.472 4.399 12.543 1.00 0.00 O ATOM 1643 CB LEU A 111 0.383 2.431 11.056 1.00 0.00 C ATOM 1644 CG LEU A 111 0.094 0.986 10.648 1.00 0.00 C ATOM 1645 CD1 LEU A 111 -0.380 0.928 9.209 1.00 0.00 C ATOM 1646 CD2 LEU A 111 1.332 0.120 10.837 1.00 0.00 C ATOM 0 H LEU A 111 -1.088 2.198 13.069 1.00 0.00 H new ATOM 0 HA LEU A 111 1.751 1.966 12.634 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.527 3.018 10.929 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.127 2.844 10.374 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.698 0.598 11.289 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.581 -0.107 8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.292 1.516 9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.392 1.334 8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.108 -0.905 10.542 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.144 0.506 10.220 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.632 0.138 11.885 1.00 0.00 H new ATOM 1658 N LEU A 112 0.366 4.887 13.156 1.00 0.00 N ATOM 1659 CA LEU A 112 0.677 6.268 13.506 1.00 0.00 C ATOM 1660 C LEU A 112 1.679 6.300 14.653 1.00 0.00 C ATOM 1661 O LEU A 112 2.596 7.120 14.671 1.00 0.00 O ATOM 1662 CB LEU A 112 -0.589 7.037 13.901 1.00 0.00 C ATOM 1663 CG LEU A 112 -1.629 7.208 12.790 1.00 0.00 C ATOM 1664 CD1 LEU A 112 -2.840 7.966 13.310 1.00 0.00 C ATOM 1665 CD2 LEU A 112 -1.022 7.931 11.598 1.00 0.00 C ATOM 0 H LEU A 112 -0.615 4.633 13.268 1.00 0.00 H new ATOM 0 HA LEU A 112 1.111 6.750 12.630 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.059 6.522 14.739 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.297 8.025 14.257 1.00 0.00 H new ATOM 0 HG LEU A 112 -1.952 6.219 12.465 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.570 8.079 12.509 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -3.289 7.412 14.134 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.530 8.951 13.660 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.775 8.044 10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.672 8.915 11.909 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.183 7.353 11.211 1.00 0.00 H new ATOM 1677 N ALA A 113 1.509 5.375 15.592 1.00 0.00 N ATOM 1678 CA ALA A 113 2.401 5.260 16.742 1.00 0.00 C ATOM 1679 C ALA A 113 3.791 4.789 16.318 1.00 0.00 C ATOM 1680 O ALA A 113 4.778 5.005 17.026 1.00 0.00 O ATOM 1681 CB ALA A 113 1.810 4.306 17.768 1.00 0.00 C ATOM 0 H ALA A 113 0.755 4.688 15.579 1.00 0.00 H new ATOM 0 HA ALA A 113 2.504 6.247 17.192 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.483 4.227 18.622 1.00 0.00 H new ATOM 0 HB2 ALA A 113 0.843 4.684 18.102 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.679 3.322 17.317 1.00 0.00 H new ATOM 1687 N MET A 114 3.859 4.144 15.161 1.00 0.00 N ATOM 1688 CA MET A 114 5.124 3.659 14.624 1.00 0.00 C ATOM 1689 C MET A 114 5.783 4.724 13.755 1.00 0.00 C ATOM 1690 O MET A 114 7.011 4.825 13.702 1.00 0.00 O ATOM 1691 CB MET A 114 4.903 2.385 13.807 1.00 0.00 C ATOM 1692 CG MET A 114 4.459 1.194 14.639 1.00 0.00 C ATOM 1693 SD MET A 114 4.101 -0.258 13.633 1.00 0.00 S ATOM 1694 CE MET A 114 3.724 -1.461 14.905 1.00 0.00 C ATOM 0 H MET A 114 3.049 3.944 14.574 1.00 0.00 H new ATOM 0 HA MET A 114 5.784 3.433 15.461 1.00 0.00 H new ATOM 0 HB2 MET A 114 4.153 2.581 13.041 1.00 0.00 H new ATOM 0 HB3 MET A 114 5.828 2.131 13.290 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.238 0.949 15.361 1.00 0.00 H new ATOM 0 HG3 MET A 114 3.570 1.465 15.209 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.481 -2.417 14.441 1.00 0.00 H new ATOM 0 HE2 MET A 114 4.589 -1.584 15.557 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.873 -1.115 15.492 1.00 0.00 H new ATOM 1704 N GLY A 115 4.959 5.516 13.080 1.00 0.00 N ATOM 1705 CA GLY A 115 5.464 6.569 12.219 1.00 0.00 C ATOM 1706 C GLY A 115 5.088 6.353 10.766 1.00 0.00 C ATOM 1707 O GLY A 115 5.687 6.944 9.869 1.00 0.00 O ATOM 0 H GLY A 115 3.942 5.447 13.114 1.00 0.00 H new ATOM 0 HA2 GLY A 115 5.072 7.529 12.555 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.549 6.619 12.308 1.00 0.00 H new ATOM 1711 N VAL A 116 4.086 5.515 10.537 1.00 0.00 N ATOM 1712 CA VAL A 116 3.660 5.181 9.185 1.00 0.00 C ATOM 1713 C VAL A 116 2.529 6.097 8.723 1.00 0.00 C ATOM 1714 O VAL A 116 1.431 6.072 9.281 1.00 0.00 O ATOM 1715 CB VAL A 116 3.180 3.717 9.091 1.00 0.00 C ATOM 1716 CG1 VAL A 116 2.892 3.330 7.647 1.00 0.00 C ATOM 1717 CG2 VAL A 116 4.197 2.771 9.709 1.00 0.00 C ATOM 0 H VAL A 116 3.552 5.053 11.273 1.00 0.00 H new ATOM 0 HA VAL A 116 4.528 5.317 8.539 1.00 0.00 H new ATOM 0 HB VAL A 116 2.252 3.632 9.656 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.555 2.294 7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.115 3.979 7.244 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.799 3.439 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.835 1.746 9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.146 2.862 9.181 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.340 3.026 10.759 1.00 0.00 H new ATOM 1727 N GLY A 117 2.807 6.908 7.713 1.00 0.00 N ATOM 1728 CA GLY A 117 1.775 7.734 7.119 1.00 0.00 C ATOM 1729 C GLY A 117 1.023 6.983 6.038 1.00 0.00 C ATOM 1730 O GLY A 117 1.527 6.815 4.927 1.00 0.00 O ATOM 0 H GLY A 117 3.731 7.009 7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 117 1.078 8.060 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 117 2.224 8.632 6.696 1.00 0.00 H new ATOM 1734 N VAL A 118 -0.171 6.518 6.368 1.00 0.00 N ATOM 1735 CA VAL A 118 -0.951 5.695 5.454 1.00 0.00 C ATOM 1736 C VAL A 118 -1.953 6.532 4.665 1.00 0.00 C ATOM 1737 O VAL A 118 -2.794 7.221 5.244 1.00 0.00 O ATOM 1738 CB VAL A 118 -1.711 4.584 6.210 1.00 0.00 C ATOM 1739 CG1 VAL A 118 -2.400 3.642 5.233 1.00 0.00 C ATOM 1740 CG2 VAL A 118 -0.768 3.812 7.121 1.00 0.00 C ATOM 0 H VAL A 118 -0.623 6.696 7.265 1.00 0.00 H new ATOM 0 HA VAL A 118 -0.243 5.240 4.761 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.475 5.055 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.929 2.867 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.110 4.203 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.654 3.180 4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.324 3.034 7.644 1.00 0.00 H new ATOM 0 HG22 VAL A 118 0.022 3.355 6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -0.325 4.493 7.848 1.00 0.00 H new ATOM 1750 N GLU A 119 -1.853 6.465 3.346 1.00 0.00 N ATOM 1751 CA GLU A 119 -2.779 7.155 2.463 1.00 0.00 C ATOM 1752 C GLU A 119 -3.488 6.151 1.561 1.00 0.00 C ATOM 1753 O GLU A 119 -2.903 5.140 1.168 1.00 0.00 O ATOM 1754 CB GLU A 119 -2.039 8.191 1.613 1.00 0.00 C ATOM 1755 CG GLU A 119 -1.512 9.374 2.410 1.00 0.00 C ATOM 1756 CD GLU A 119 -2.622 10.156 3.083 1.00 0.00 C ATOM 1757 OE1 GLU A 119 -3.511 10.668 2.369 1.00 0.00 O ATOM 1758 OE2 GLU A 119 -2.608 10.275 4.325 1.00 0.00 O ATOM 0 H GLU A 119 -1.131 5.933 2.860 1.00 0.00 H new ATOM 0 HA GLU A 119 -3.520 7.671 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.205 7.704 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.711 8.558 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.813 9.017 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.955 10.036 1.747 1.00 0.00 H new ATOM 1765 N ALA A 120 -4.739 6.433 1.236 1.00 0.00 N ATOM 1766 CA ALA A 120 -5.535 5.545 0.404 1.00 0.00 C ATOM 1767 C ALA A 120 -6.010 6.265 -0.849 1.00 0.00 C ATOM 1768 O ALA A 120 -6.714 7.271 -0.773 1.00 0.00 O ATOM 1769 CB ALA A 120 -6.724 5.005 1.187 1.00 0.00 C ATOM 0 H ALA A 120 -5.228 7.276 1.538 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.908 4.706 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -7.309 4.342 0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.367 4.451 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -7.349 5.835 1.518 1.00 0.00 H new ATOM 1775 N MET A 121 -5.608 5.747 -2.001 1.00 0.00 N ATOM 1776 CA MET A 121 -5.974 6.325 -3.290 1.00 0.00 C ATOM 1777 C MET A 121 -6.216 5.201 -4.288 1.00 0.00 C ATOM 1778 O MET A 121 -6.004 4.038 -3.964 1.00 0.00 O ATOM 1779 CB MET A 121 -4.865 7.251 -3.806 1.00 0.00 C ATOM 1780 CG MET A 121 -4.599 8.457 -2.918 1.00 0.00 C ATOM 1781 SD MET A 121 -3.247 9.488 -3.523 1.00 0.00 S ATOM 1782 CE MET A 121 -1.880 8.328 -3.472 1.00 0.00 C ATOM 0 H MET A 121 -5.020 4.916 -2.070 1.00 0.00 H new ATOM 0 HA MET A 121 -6.882 6.916 -3.169 1.00 0.00 H new ATOM 0 HB2 MET A 121 -3.944 6.677 -3.906 1.00 0.00 H new ATOM 0 HB3 MET A 121 -5.133 7.600 -4.803 1.00 0.00 H new ATOM 0 HG2 MET A 121 -5.505 9.058 -2.849 1.00 0.00 H new ATOM 0 HG3 MET A 121 -4.366 8.115 -1.910 1.00 0.00 H new ATOM 0 HE1 MET A 121 -1.003 8.818 -3.049 1.00 0.00 H new ATOM 0 HE2 MET A 121 -2.152 7.473 -2.853 1.00 0.00 H new ATOM 0 HE3 MET A 121 -1.654 7.988 -4.482 1.00 0.00 H new ATOM 1792 N ASP A 122 -6.658 5.536 -5.493 1.00 0.00 N ATOM 1793 CA ASP A 122 -6.871 4.521 -6.523 1.00 0.00 C ATOM 1794 C ASP A 122 -5.544 3.950 -7.003 1.00 0.00 C ATOM 1795 O ASP A 122 -4.486 4.546 -6.787 1.00 0.00 O ATOM 1796 CB ASP A 122 -7.667 5.079 -7.706 1.00 0.00 C ATOM 1797 CG ASP A 122 -9.141 5.228 -7.390 1.00 0.00 C ATOM 1798 OD1 ASP A 122 -9.905 4.265 -7.624 1.00 0.00 O ATOM 1799 OD2 ASP A 122 -9.539 6.302 -6.902 1.00 0.00 O ATOM 0 H ASP A 122 -6.875 6.490 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.455 3.718 -6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.259 6.049 -7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.547 4.419 -8.565 1.00 0.00 H new ATOM 1804 N THR A 123 -5.616 2.802 -7.669 1.00 0.00 N ATOM 1805 CA THR A 123 -4.435 2.053 -8.088 1.00 0.00 C ATOM 1806 C THR A 123 -3.425 2.927 -8.836 1.00 0.00 C ATOM 1807 O THR A 123 -2.250 2.976 -8.471 1.00 0.00 O ATOM 1808 CB THR A 123 -4.849 0.868 -8.979 1.00 0.00 C ATOM 1809 OG1 THR A 123 -5.950 0.180 -8.376 1.00 0.00 O ATOM 1810 CG2 THR A 123 -3.692 -0.103 -9.179 1.00 0.00 C ATOM 0 H THR A 123 -6.498 2.363 -7.934 1.00 0.00 H new ATOM 0 HA THR A 123 -3.950 1.689 -7.183 1.00 0.00 H new ATOM 0 HB THR A 123 -5.140 1.259 -9.954 1.00 0.00 H new ATOM 0 HG1 THR A 123 -6.215 -0.574 -8.944 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.016 -0.929 -9.812 1.00 0.00 H new ATOM 0 HG22 THR A 123 -2.860 0.416 -9.656 1.00 0.00 H new ATOM 0 HG23 THR A 123 -3.372 -0.491 -8.212 1.00 0.00 H new ATOM 1818 N GLN A 124 -3.886 3.626 -9.869 1.00 0.00 N ATOM 1819 CA GLN A 124 -3.006 4.469 -10.676 1.00 0.00 C ATOM 1820 C GLN A 124 -2.416 5.603 -9.849 1.00 0.00 C ATOM 1821 O GLN A 124 -1.224 5.884 -9.933 1.00 0.00 O ATOM 1822 CB GLN A 124 -3.757 5.049 -11.873 1.00 0.00 C ATOM 1823 CG GLN A 124 -4.134 4.021 -12.928 1.00 0.00 C ATOM 1824 CD GLN A 124 -4.789 4.659 -14.135 1.00 0.00 C ATOM 1825 OE1 GLN A 124 -5.467 5.681 -14.019 1.00 0.00 O ATOM 1826 NE2 GLN A 124 -4.582 4.071 -15.302 1.00 0.00 N ATOM 0 H GLN A 124 -4.861 3.626 -10.168 1.00 0.00 H new ATOM 0 HA GLN A 124 -2.193 3.838 -11.035 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.664 5.538 -11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -3.141 5.820 -12.336 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.241 3.481 -13.243 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -4.813 3.287 -12.493 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -4.014 3.226 -15.353 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -4.991 4.463 -16.150 1.00 0.00 H new ATOM 1835 N ALA A 125 -3.255 6.238 -9.039 1.00 0.00 N ATOM 1836 CA ALA A 125 -2.822 7.364 -8.223 1.00 0.00 C ATOM 1837 C ALA A 125 -1.737 6.940 -7.240 1.00 0.00 C ATOM 1838 O ALA A 125 -0.742 7.642 -7.054 1.00 0.00 O ATOM 1839 CB ALA A 125 -4.007 7.967 -7.484 1.00 0.00 C ATOM 0 H ALA A 125 -4.239 5.992 -8.930 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.400 8.122 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -3.669 8.807 -6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.747 8.314 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.456 7.212 -6.839 1.00 0.00 H new ATOM 1845 N ALA A 126 -1.929 5.780 -6.623 1.00 0.00 N ATOM 1846 CA ALA A 126 -0.967 5.256 -5.665 1.00 0.00 C ATOM 1847 C ALA A 126 0.331 4.857 -6.358 1.00 0.00 C ATOM 1848 O ALA A 126 1.415 5.203 -5.896 1.00 0.00 O ATOM 1849 CB ALA A 126 -1.560 4.071 -4.916 1.00 0.00 C ATOM 0 H ALA A 126 -2.744 5.185 -6.770 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.737 6.043 -4.947 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -0.830 3.689 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.456 4.389 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.820 3.285 -5.625 1.00 0.00 H new ATOM 1855 N ALA A 127 0.211 4.151 -7.476 1.00 0.00 N ATOM 1856 CA ALA A 127 1.377 3.655 -8.202 1.00 0.00 C ATOM 1857 C ALA A 127 2.207 4.796 -8.790 1.00 0.00 C ATOM 1858 O ALA A 127 3.439 4.756 -8.764 1.00 0.00 O ATOM 1859 CB ALA A 127 0.945 2.697 -9.301 1.00 0.00 C ATOM 0 H ALA A 127 -0.684 3.908 -7.901 1.00 0.00 H new ATOM 0 HA ALA A 127 2.007 3.123 -7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 127 1.824 2.335 -9.834 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.415 1.853 -8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 127 0.286 3.216 -9.998 1.00 0.00 H new ATOM 1865 N ARG A 128 1.534 5.813 -9.312 1.00 0.00 N ATOM 1866 CA ARG A 128 2.218 6.949 -9.916 1.00 0.00 C ATOM 1867 C ARG A 128 2.967 7.751 -8.857 1.00 0.00 C ATOM 1868 O ARG A 128 4.135 8.097 -9.036 1.00 0.00 O ATOM 1869 CB ARG A 128 1.216 7.834 -10.654 1.00 0.00 C ATOM 1870 CG ARG A 128 1.851 8.989 -11.408 1.00 0.00 C ATOM 1871 CD ARG A 128 0.873 9.604 -12.395 1.00 0.00 C ATOM 1872 NE ARG A 128 -0.315 10.152 -11.740 1.00 0.00 N ATOM 1873 CZ ARG A 128 -1.552 9.678 -11.916 1.00 0.00 C ATOM 1874 NH1 ARG A 128 -1.758 8.590 -12.644 1.00 0.00 N ATOM 1875 NH2 ARG A 128 -2.583 10.280 -11.343 1.00 0.00 N ATOM 0 H ARG A 128 0.516 5.875 -9.329 1.00 0.00 H new ATOM 0 HA ARG A 128 2.947 6.575 -10.635 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.653 7.220 -11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.500 8.233 -9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.185 9.749 -10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.735 8.638 -11.939 1.00 0.00 H new ATOM 0 HD2 ARG A 128 1.374 10.395 -12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.569 8.848 -13.119 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.191 10.945 -11.110 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -0.969 8.108 -13.075 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.705 8.235 -12.773 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.434 11.108 -10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.526 9.916 -11.479 1.00 0.00 H new ATOM 1889 N THR A 129 2.296 8.029 -7.746 1.00 0.00 N ATOM 1890 CA THR A 129 2.915 8.752 -6.644 1.00 0.00 C ATOM 1891 C THR A 129 4.035 7.916 -6.024 1.00 0.00 C ATOM 1892 O THR A 129 5.033 8.450 -5.539 1.00 0.00 O ATOM 1893 CB THR A 129 1.874 9.114 -5.566 1.00 0.00 C ATOM 1894 OG1 THR A 129 0.742 9.739 -6.182 1.00 0.00 O ATOM 1895 CG2 THR A 129 2.463 10.056 -4.523 1.00 0.00 C ATOM 0 H THR A 129 1.324 7.765 -7.585 1.00 0.00 H new ATOM 0 HA THR A 129 3.335 9.676 -7.042 1.00 0.00 H new ATOM 0 HB THR A 129 1.569 8.194 -5.067 1.00 0.00 H new ATOM 0 HG1 THR A 129 0.132 9.051 -6.520 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.705 10.293 -3.777 1.00 0.00 H new ATOM 0 HG22 THR A 129 3.312 9.576 -4.037 1.00 0.00 H new ATOM 0 HG23 THR A 129 2.794 10.974 -5.008 1.00 0.00 H new ATOM 1903 N TYR A 130 3.860 6.600 -6.064 1.00 0.00 N ATOM 1904 CA TYR A 130 4.861 5.659 -5.578 1.00 0.00 C ATOM 1905 C TYR A 130 6.175 5.844 -6.332 1.00 0.00 C ATOM 1906 O TYR A 130 7.245 5.896 -5.730 1.00 0.00 O ATOM 1907 CB TYR A 130 4.339 4.230 -5.750 1.00 0.00 C ATOM 1908 CG TYR A 130 5.244 3.153 -5.202 1.00 0.00 C ATOM 1909 CD1 TYR A 130 5.407 2.983 -3.834 1.00 0.00 C ATOM 1910 CD2 TYR A 130 5.912 2.287 -6.057 1.00 0.00 C ATOM 1911 CE1 TYR A 130 6.211 1.979 -3.334 1.00 0.00 C ATOM 1912 CE2 TYR A 130 6.721 1.284 -5.563 1.00 0.00 C ATOM 1913 CZ TYR A 130 6.866 1.134 -4.202 1.00 0.00 C ATOM 1914 OH TYR A 130 7.657 0.127 -3.707 1.00 0.00 O ATOM 0 H TYR A 130 3.020 6.156 -6.434 1.00 0.00 H new ATOM 0 HA TYR A 130 5.049 5.846 -4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 130 3.368 4.152 -5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 130 4.177 4.043 -6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 130 4.897 3.646 -3.151 1.00 0.00 H new ATOM 0 HD2 TYR A 130 5.797 2.400 -7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 130 6.326 1.857 -2.267 1.00 0.00 H new ATOM 0 HE2 TYR A 130 7.238 0.620 -6.240 1.00 0.00 H new ATOM 0 HH TYR A 130 7.098 -0.529 -3.240 1.00 0.00 H new ATOM 1924 N ASN A 131 6.079 5.958 -7.653 1.00 0.00 N ATOM 1925 CA ASN A 131 7.254 6.187 -8.489 1.00 0.00 C ATOM 1926 C ASN A 131 7.886 7.539 -8.167 1.00 0.00 C ATOM 1927 O ASN A 131 9.108 7.662 -8.073 1.00 0.00 O ATOM 1928 CB ASN A 131 6.875 6.123 -9.973 1.00 0.00 C ATOM 1929 CG ASN A 131 8.059 6.371 -10.892 1.00 0.00 C ATOM 1930 OD1 ASN A 131 9.199 6.047 -10.564 1.00 0.00 O ATOM 1931 ND2 ASN A 131 7.792 6.943 -12.056 1.00 0.00 N ATOM 0 H ASN A 131 5.201 5.896 -8.168 1.00 0.00 H new ATOM 0 HA ASN A 131 7.982 5.403 -8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 131 6.448 5.144 -10.193 1.00 0.00 H new ATOM 0 HB3 ASN A 131 6.100 6.862 -10.178 1.00 0.00 H new ATOM 0 HD21 ASN A 131 8.546 7.130 -12.717 1.00 0.00 H new ATOM 0 HD22 ASN A 131 6.833 7.197 -12.291 1.00 0.00 H new ATOM 1938 N ILE A 132 7.043 8.548 -7.976 1.00 0.00 N ATOM 1939 CA ILE A 132 7.513 9.884 -7.633 1.00 0.00 C ATOM 1940 C ILE A 132 8.304 9.858 -6.326 1.00 0.00 C ATOM 1941 O ILE A 132 9.400 10.411 -6.241 1.00 0.00 O ATOM 1942 CB ILE A 132 6.342 10.885 -7.506 1.00 0.00 C ATOM 1943 CG1 ILE A 132 5.564 10.964 -8.824 1.00 0.00 C ATOM 1944 CG2 ILE A 132 6.860 12.261 -7.106 1.00 0.00 C ATOM 1945 CD1 ILE A 132 4.353 11.872 -8.766 1.00 0.00 C ATOM 0 H ILE A 132 6.029 8.465 -8.053 1.00 0.00 H new ATOM 0 HA ILE A 132 8.162 10.215 -8.444 1.00 0.00 H new ATOM 0 HB ILE A 132 5.666 10.533 -6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 132 6.233 11.316 -9.609 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.242 9.962 -9.105 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.023 12.954 -7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.373 12.192 -6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 132 7.555 12.623 -7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 132 3.855 11.876 -9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 132 3.663 11.509 -8.004 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.669 12.885 -8.516 1.00 0.00 H new ATOM 1957 N LEU A 133 7.754 9.193 -5.317 1.00 0.00 N ATOM 1958 CA LEU A 133 8.411 9.093 -4.018 1.00 0.00 C ATOM 1959 C LEU A 133 9.664 8.223 -4.104 1.00 0.00 C ATOM 1960 O LEU A 133 10.613 8.407 -3.341 1.00 0.00 O ATOM 1961 CB LEU A 133 7.445 8.535 -2.971 1.00 0.00 C ATOM 1962 CG LEU A 133 6.223 9.414 -2.687 1.00 0.00 C ATOM 1963 CD1 LEU A 133 5.290 8.732 -1.702 1.00 0.00 C ATOM 1964 CD2 LEU A 133 6.655 10.773 -2.157 1.00 0.00 C ATOM 0 H LEU A 133 6.855 8.715 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 133 8.714 10.095 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 133 7.101 7.555 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.990 8.384 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 133 5.684 9.563 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.428 9.373 -1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.952 7.783 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.819 8.550 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.774 11.384 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.218 10.641 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.283 11.269 -2.897 1.00 0.00 H new ATOM 1976 N MET A 134 9.663 7.279 -5.039 1.00 0.00 N ATOM 1977 CA MET A 134 10.829 6.438 -5.278 1.00 0.00 C ATOM 1978 C MET A 134 11.973 7.272 -5.847 1.00 0.00 C ATOM 1979 O MET A 134 13.106 7.190 -5.376 1.00 0.00 O ATOM 1980 CB MET A 134 10.483 5.298 -6.237 1.00 0.00 C ATOM 1981 CG MET A 134 11.653 4.373 -6.533 1.00 0.00 C ATOM 1982 SD MET A 134 11.227 3.066 -7.700 1.00 0.00 S ATOM 1983 CE MET A 134 9.926 2.230 -6.801 1.00 0.00 C ATOM 0 H MET A 134 8.867 7.077 -5.644 1.00 0.00 H new ATOM 0 HA MET A 134 11.144 6.008 -4.327 1.00 0.00 H new ATOM 0 HB2 MET A 134 9.667 4.713 -5.813 1.00 0.00 H new ATOM 0 HB3 MET A 134 10.119 5.720 -7.174 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.481 4.958 -6.934 1.00 0.00 H new ATOM 0 HG3 MET A 134 12.001 3.925 -5.602 1.00 0.00 H new ATOM 0 HE1 MET A 134 10.089 1.153 -6.842 1.00 0.00 H new ATOM 0 HE2 MET A 134 9.933 2.558 -5.762 1.00 0.00 H new ATOM 0 HE3 MET A 134 8.962 2.468 -7.250 1.00 0.00 H new ATOM 1993 N ALA A 135 11.662 8.087 -6.850 1.00 0.00 N ATOM 1994 CA ALA A 135 12.647 8.981 -7.451 1.00 0.00 C ATOM 1995 C ALA A 135 13.080 10.052 -6.451 1.00 0.00 C ATOM 1996 O ALA A 135 14.181 10.600 -6.537 1.00 0.00 O ATOM 1997 CB ALA A 135 12.082 9.622 -8.710 1.00 0.00 C ATOM 0 H ALA A 135 10.732 8.147 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 135 13.524 8.395 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 135 12.828 10.286 -9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.823 8.845 -9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.190 10.195 -8.458 1.00 0.00 H new ATOM 2003 N GLU A 136 12.203 10.339 -5.499 1.00 0.00 N ATOM 2004 CA GLU A 136 12.500 11.284 -4.433 1.00 0.00 C ATOM 2005 C GLU A 136 13.421 10.640 -3.395 1.00 0.00 C ATOM 2006 O GLU A 136 13.986 11.319 -2.536 1.00 0.00 O ATOM 2007 CB GLU A 136 11.197 11.757 -3.784 1.00 0.00 C ATOM 2008 CG GLU A 136 11.382 12.841 -2.737 1.00 0.00 C ATOM 2009 CD GLU A 136 10.068 13.352 -2.196 1.00 0.00 C ATOM 2010 OE1 GLU A 136 9.456 14.225 -2.846 1.00 0.00 O ATOM 2011 OE2 GLU A 136 9.649 12.899 -1.114 1.00 0.00 O ATOM 0 H GLU A 136 11.272 9.926 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 136 13.015 12.148 -4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 136 10.531 12.129 -4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 136 10.703 10.902 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 136 11.982 12.450 -1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 136 11.940 13.671 -3.172 1.00 0.00 H new ATOM 2018 N GLY A 137 13.574 9.322 -3.489 1.00 0.00 N ATOM 2019 CA GLY A 137 14.441 8.600 -2.581 1.00 0.00 C ATOM 2020 C GLY A 137 13.844 8.481 -1.198 1.00 0.00 C ATOM 2021 O GLY A 137 14.564 8.513 -0.197 1.00 0.00 O ATOM 0 H GLY A 137 13.108 8.739 -4.185 1.00 0.00 H new ATOM 0 HA2 GLY A 137 14.633 7.604 -2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 137 15.403 9.109 -2.518 1.00 0.00 H new ATOM 2025 N ARG A 138 12.529 8.345 -1.135 1.00 0.00 N ATOM 2026 CA ARG A 138 11.843 8.257 0.141 1.00 0.00 C ATOM 2027 C ARG A 138 11.397 6.822 0.405 1.00 0.00 C ATOM 2028 O ARG A 138 11.178 6.049 -0.530 1.00 0.00 O ATOM 2029 CB ARG A 138 10.637 9.199 0.166 1.00 0.00 C ATOM 2030 CG ARG A 138 10.195 9.558 1.571 1.00 0.00 C ATOM 2031 CD ARG A 138 11.292 10.310 2.305 1.00 0.00 C ATOM 2032 NE ARG A 138 10.991 10.474 3.719 1.00 0.00 N ATOM 2033 CZ ARG A 138 10.635 11.626 4.281 1.00 0.00 C ATOM 2034 NH1 ARG A 138 10.537 12.728 3.547 1.00 0.00 N ATOM 2035 NH2 ARG A 138 10.388 11.670 5.580 1.00 0.00 N ATOM 0 H ARG A 138 11.918 8.293 -1.950 1.00 0.00 H new ATOM 0 HA ARG A 138 12.535 8.558 0.927 1.00 0.00 H new ATOM 0 HB2 ARG A 138 10.885 10.112 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 138 9.806 8.731 -0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.294 10.170 1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 138 9.939 8.652 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 138 12.235 9.774 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 138 11.428 11.290 1.848 1.00 0.00 H new ATOM 0 HE ARG A 138 11.057 9.652 4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 138 10.735 12.694 2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 138 10.264 13.609 3.983 1.00 0.00 H new ATOM 0 HH21 ARG A 138 10.471 10.824 6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 138 10.115 12.550 6.018 1.00 0.00 H new ATOM 2049 N ARG A 139 11.273 6.467 1.676 1.00 0.00 N ATOM 2050 CA ARG A 139 10.867 5.124 2.057 1.00 0.00 C ATOM 2051 C ARG A 139 9.348 4.972 2.005 1.00 0.00 C ATOM 2052 O ARG A 139 8.632 5.250 2.974 1.00 0.00 O ATOM 2053 CB ARG A 139 11.423 4.788 3.439 1.00 0.00 C ATOM 2054 CG ARG A 139 12.921 4.525 3.418 1.00 0.00 C ATOM 2055 CD ARG A 139 13.565 4.760 4.773 1.00 0.00 C ATOM 2056 NE ARG A 139 13.704 6.185 5.077 1.00 0.00 N ATOM 2057 CZ ARG A 139 14.869 6.780 5.336 1.00 0.00 C ATOM 2058 NH1 ARG A 139 16.004 6.092 5.235 1.00 0.00 N ATOM 2059 NH2 ARG A 139 14.905 8.067 5.667 1.00 0.00 N ATOM 0 H ARG A 139 11.449 7.093 2.462 1.00 0.00 H new ATOM 0 HA ARG A 139 11.280 4.413 1.341 1.00 0.00 H new ATOM 0 HB2 ARG A 139 11.212 5.611 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 139 10.909 3.910 3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 139 13.103 3.497 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 139 13.391 5.172 2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 139 12.965 4.282 5.547 1.00 0.00 H new ATOM 0 HD3 ARG A 139 14.547 4.288 4.794 1.00 0.00 H new ATOM 0 HE ARG A 139 12.860 6.757 5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 139 15.982 5.110 4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 139 16.895 6.547 5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 139 14.039 8.603 5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 139 15.798 8.518 5.864 1.00 0.00 H new ATOM 2073 N VAL A 140 8.875 4.546 0.843 1.00 0.00 N ATOM 2074 CA VAL A 140 7.456 4.373 0.592 1.00 0.00 C ATOM 2075 C VAL A 140 7.137 2.912 0.279 1.00 0.00 C ATOM 2076 O VAL A 140 7.932 2.213 -0.350 1.00 0.00 O ATOM 2077 CB VAL A 140 6.992 5.276 -0.581 1.00 0.00 C ATOM 2078 CG1 VAL A 140 7.807 5.004 -1.839 1.00 0.00 C ATOM 2079 CG2 VAL A 140 5.505 5.096 -0.860 1.00 0.00 C ATOM 0 H VAL A 140 9.468 4.311 0.047 1.00 0.00 H new ATOM 0 HA VAL A 140 6.918 4.665 1.494 1.00 0.00 H new ATOM 0 HB VAL A 140 7.159 6.311 -0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 140 7.460 5.651 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 140 8.860 5.204 -1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 140 7.685 3.962 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 140 5.209 5.742 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 140 5.307 4.057 -1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 140 4.933 5.361 0.029 1.00 0.00 H new ATOM 2089 N VAL A 141 5.992 2.453 0.754 1.00 0.00 N ATOM 2090 CA VAL A 141 5.508 1.119 0.442 1.00 0.00 C ATOM 2091 C VAL A 141 4.135 1.229 -0.211 1.00 0.00 C ATOM 2092 O VAL A 141 3.333 2.080 0.171 1.00 0.00 O ATOM 2093 CB VAL A 141 5.411 0.234 1.706 1.00 0.00 C ATOM 2094 CG1 VAL A 141 5.024 -1.192 1.342 1.00 0.00 C ATOM 2095 CG2 VAL A 141 6.722 0.250 2.479 1.00 0.00 C ATOM 0 H VAL A 141 5.375 2.990 1.363 1.00 0.00 H new ATOM 0 HA VAL A 141 6.218 0.648 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 141 4.631 0.647 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 141 4.962 -1.795 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 141 4.056 -1.190 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 141 5.776 -1.614 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 141 6.630 -0.379 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 141 7.523 -0.130 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 141 6.953 1.271 2.782 1.00 0.00 H new ATOM 2105 N VAL A 142 3.869 0.397 -1.205 1.00 0.00 N ATOM 2106 CA VAL A 142 2.591 0.446 -1.896 1.00 0.00 C ATOM 2107 C VAL A 142 1.859 -0.887 -1.779 1.00 0.00 C ATOM 2108 O VAL A 142 2.469 -1.953 -1.871 1.00 0.00 O ATOM 2109 CB VAL A 142 2.762 0.828 -3.388 1.00 0.00 C ATOM 2110 CG1 VAL A 142 3.497 -0.259 -4.156 1.00 0.00 C ATOM 2111 CG2 VAL A 142 1.418 1.132 -4.033 1.00 0.00 C ATOM 0 H VAL A 142 4.514 -0.314 -1.549 1.00 0.00 H new ATOM 0 HA VAL A 142 1.994 1.221 -1.415 1.00 0.00 H new ATOM 0 HB VAL A 142 3.368 1.733 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.601 0.039 -5.199 1.00 0.00 H new ATOM 0 HG12 VAL A 142 4.485 -0.407 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.932 -1.190 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.568 1.397 -5.080 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.777 0.253 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.945 1.964 -3.512 1.00 0.00 H new ATOM 2121 N ALA A 143 0.557 -0.814 -1.551 1.00 0.00 N ATOM 2122 CA ALA A 143 -0.288 -1.995 -1.490 1.00 0.00 C ATOM 2123 C ALA A 143 -1.472 -1.819 -2.428 1.00 0.00 C ATOM 2124 O ALA A 143 -2.372 -1.030 -2.155 1.00 0.00 O ATOM 2125 CB ALA A 143 -0.762 -2.244 -0.064 1.00 0.00 C ATOM 0 H ALA A 143 0.058 0.063 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 143 0.290 -2.864 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -1.393 -3.132 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 143 0.101 -2.394 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.333 -1.384 0.285 1.00 0.00 H new ATOM 2131 N LEU A 144 -1.466 -2.542 -3.535 1.00 0.00 N ATOM 2132 CA LEU A 144 -2.467 -2.343 -4.575 1.00 0.00 C ATOM 2133 C LEU A 144 -3.518 -3.445 -4.563 1.00 0.00 C ATOM 2134 O LEU A 144 -3.185 -4.632 -4.543 1.00 0.00 O ATOM 2135 CB LEU A 144 -1.795 -2.279 -5.949 1.00 0.00 C ATOM 2136 CG LEU A 144 -0.828 -1.110 -6.146 1.00 0.00 C ATOM 2137 CD1 LEU A 144 -0.154 -1.196 -7.505 1.00 0.00 C ATOM 2138 CD2 LEU A 144 -1.559 0.217 -6.001 1.00 0.00 C ATOM 0 H LEU A 144 -0.782 -3.271 -3.739 1.00 0.00 H new ATOM 0 HA LEU A 144 -2.970 -1.398 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -1.253 -3.210 -6.115 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -2.570 -2.221 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 144 -0.059 -1.169 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 144 0.530 -0.356 -7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 144 0.403 -2.130 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -0.911 -1.164 -8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -0.856 1.037 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -2.349 0.281 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -1.997 0.284 -5.005 1.00 0.00 H new ATOM 2150 N LEU A 145 -4.783 -3.039 -4.566 1.00 0.00 N ATOM 2151 CA LEU A 145 -5.901 -3.969 -4.656 1.00 0.00 C ATOM 2152 C LEU A 145 -6.462 -3.990 -6.077 1.00 0.00 C ATOM 2153 O LEU A 145 -7.108 -3.034 -6.511 1.00 0.00 O ATOM 2154 CB LEU A 145 -7.013 -3.572 -3.680 1.00 0.00 C ATOM 2155 CG LEU A 145 -6.634 -3.592 -2.198 1.00 0.00 C ATOM 2156 CD1 LEU A 145 -7.771 -3.042 -1.353 1.00 0.00 C ATOM 2157 CD2 LEU A 145 -6.286 -5.003 -1.757 1.00 0.00 C ATOM 0 H LEU A 145 -5.061 -2.059 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 145 -5.535 -4.962 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -7.354 -2.569 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.859 -4.244 -3.829 1.00 0.00 H new ATOM 0 HG LEU A 145 -5.758 -2.959 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -7.486 -3.063 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -7.982 -2.015 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.662 -3.653 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -6.019 -4.998 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.146 -5.655 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -5.443 -5.370 -2.343 1.00 0.00 H new ATOM 2169 N PRO A 146 -6.191 -5.058 -6.834 1.00 0.00 N ATOM 2170 CA PRO A 146 -6.758 -5.264 -8.153 1.00 0.00 C ATOM 2171 C PRO A 146 -8.022 -6.119 -8.087 1.00 0.00 C ATOM 2172 O PRO A 146 -8.706 -6.151 -7.063 1.00 0.00 O ATOM 2173 CB PRO A 146 -5.635 -6.007 -8.886 1.00 0.00 C ATOM 2174 CG PRO A 146 -4.770 -6.616 -7.819 1.00 0.00 C ATOM 2175 CD PRO A 146 -5.294 -6.154 -6.480 1.00 0.00 C ATOM 0 HA PRO A 146 -7.062 -4.337 -8.640 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -6.041 -6.776 -9.544 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -5.060 -5.324 -9.511 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -4.793 -7.704 -7.883 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -3.732 -6.311 -7.949 1.00 0.00 H new ATOM 0 HD2 PRO A 146 -5.820 -6.952 -5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -4.489 -5.820 -5.826 1.00 0.00 H new