USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 536 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 49 TYR OH : rot 30:sc= -0.438 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 ASN : amide:sc= 0 K(o=-2.2,f=-2.9) USER MOD Set 2.2: A 28 ASN : amide:sc= -2.19 K(o=-2.2,f=-3!) USER MOD Single : A 16 THR OG1 : rot -140:sc= -3.43! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc=-0.00826 (180deg=-0.141) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.47) USER MOD Single : A 34 HIS : no HE2:sc= -3.1 K(o=-3.1,f=-5.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 97:sc= 0.966 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-3.1) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.178 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.608 -2.755 -9.245 1.00 0.00 N ATOM 184 CA GLY A 13 -0.334 -3.519 -9.103 1.00 0.00 C ATOM 185 C GLY A 13 0.867 -2.564 -9.016 1.00 0.00 C ATOM 186 O GLY A 13 1.998 -3.001 -8.911 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.375 -4.141 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.210 -4.190 -9.953 1.00 0.00 H new ATOM 190 N GLY A 14 0.642 -1.268 -9.054 1.00 0.00 N ATOM 191 CA GLY A 14 1.781 -0.307 -8.970 1.00 0.00 C ATOM 192 C GLY A 14 2.025 0.047 -7.507 1.00 0.00 C ATOM 193 O GLY A 14 3.142 0.289 -7.091 1.00 0.00 O ATOM 0 H GLY A 14 -0.280 -0.841 -9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.678 -0.747 -9.405 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.557 0.593 -9.543 1.00 0.00 H new ATOM 197 N ILE A 15 0.978 0.077 -6.725 1.00 0.00 N ATOM 198 CA ILE A 15 1.122 0.411 -5.283 1.00 0.00 C ATOM 199 C ILE A 15 1.721 -0.780 -4.547 1.00 0.00 C ATOM 200 O ILE A 15 2.760 -0.685 -3.923 1.00 0.00 O ATOM 201 CB ILE A 15 -0.253 0.695 -4.677 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.012 1.719 -5.522 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.083 1.232 -3.258 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.509 1.533 -5.281 1.00 0.00 C ATOM 0 H ILE A 15 0.024 -0.117 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 15 1.764 1.286 -5.187 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.824 -0.233 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.708 2.731 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.779 1.585 -6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.063 1.435 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.436 0.492 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.499 2.153 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.066 2.256 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.801 0.523 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.729 1.687 -4.225 1.00 0.00 H new ATOM 216 N THR A 16 1.051 -1.905 -4.604 1.00 0.00 N ATOM 217 CA THR A 16 1.545 -3.125 -3.898 1.00 0.00 C ATOM 218 C THR A 16 3.006 -3.408 -4.270 1.00 0.00 C ATOM 219 O THR A 16 3.772 -3.911 -3.470 1.00 0.00 O ATOM 220 CB THR A 16 0.680 -4.326 -4.291 1.00 0.00 C ATOM 221 OG1 THR A 16 1.248 -5.510 -3.748 1.00 0.00 O ATOM 222 CG2 THR A 16 0.618 -4.440 -5.814 1.00 0.00 C ATOM 0 H THR A 16 0.176 -2.030 -5.114 1.00 0.00 H new ATOM 0 HA THR A 16 1.482 -2.957 -2.823 1.00 0.00 H new ATOM 0 HB THR A 16 -0.329 -4.191 -3.901 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.178 -6.236 -4.402 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.002 -5.296 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.184 -3.531 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.624 -4.575 -6.210 1.00 0.00 H new ATOM 230 N ASP A 17 3.391 -3.083 -5.478 1.00 0.00 N ATOM 231 CA ASP A 17 4.798 -3.327 -5.913 1.00 0.00 C ATOM 232 C ASP A 17 5.741 -2.378 -5.167 1.00 0.00 C ATOM 233 O ASP A 17 6.907 -2.674 -4.981 1.00 0.00 O ATOM 234 CB ASP A 17 4.914 -3.079 -7.418 1.00 0.00 C ATOM 235 CG ASP A 17 6.250 -3.628 -7.924 1.00 0.00 C ATOM 236 OD1 ASP A 17 7.247 -2.944 -7.763 1.00 0.00 O ATOM 237 OD2 ASP A 17 6.253 -4.722 -8.463 1.00 0.00 O ATOM 0 H ASP A 17 2.789 -2.658 -6.183 1.00 0.00 H new ATOM 0 HA ASP A 17 5.072 -4.358 -5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.089 -3.561 -7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.844 -2.012 -7.628 1.00 0.00 H new ATOM 242 N MET A 18 5.248 -1.241 -4.739 1.00 0.00 N ATOM 243 CA MET A 18 6.115 -0.273 -4.006 1.00 0.00 C ATOM 244 C MET A 18 6.061 -0.558 -2.501 1.00 0.00 C ATOM 245 O MET A 18 6.954 -0.181 -1.763 1.00 0.00 O ATOM 246 CB MET A 18 5.622 1.151 -4.270 1.00 0.00 C ATOM 247 CG MET A 18 6.051 1.588 -5.672 1.00 0.00 C ATOM 248 SD MET A 18 6.174 3.393 -5.731 1.00 0.00 S ATOM 249 CE MET A 18 7.977 3.494 -5.832 1.00 0.00 C ATOM 0 H MET A 18 4.281 -0.943 -4.867 1.00 0.00 H new ATOM 0 HA MET A 18 7.143 -0.378 -4.354 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.537 1.194 -4.180 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.031 1.833 -3.524 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.011 1.139 -5.926 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.330 1.238 -6.410 1.00 0.00 H new ATOM 0 HE1 MET A 18 8.281 4.540 -5.879 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.417 3.027 -4.951 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.321 2.976 -6.727 1.00 0.00 H new ATOM 259 N LEU A 19 5.031 -1.227 -2.040 1.00 0.00 N ATOM 260 CA LEU A 19 4.927 -1.538 -0.587 1.00 0.00 C ATOM 261 C LEU A 19 5.631 -2.863 -0.319 1.00 0.00 C ATOM 262 O LEU A 19 6.225 -3.064 0.722 1.00 0.00 O ATOM 263 CB LEU A 19 3.452 -1.650 -0.190 1.00 0.00 C ATOM 264 CG LEU A 19 2.827 -0.247 -0.118 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.903 -0.027 -1.320 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.017 -0.111 1.177 1.00 0.00 C ATOM 0 H LEU A 19 4.259 -1.570 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 19 5.393 -0.745 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.915 -2.261 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.362 -2.149 0.775 1.00 0.00 H new ATOM 0 HG LEU A 19 3.622 0.499 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.463 0.969 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.477 -0.118 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.110 -0.775 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.575 0.884 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.226 -0.861 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.674 -0.259 2.034 1.00 0.00 H new ATOM 278 N VAL A 20 5.568 -3.763 -1.263 1.00 0.00 N ATOM 279 CA VAL A 20 6.230 -5.083 -1.095 1.00 0.00 C ATOM 280 C VAL A 20 7.739 -4.915 -1.298 1.00 0.00 C ATOM 281 O VAL A 20 8.536 -5.576 -0.659 1.00 0.00 O ATOM 282 CB VAL A 20 5.666 -6.055 -2.135 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.295 -7.433 -1.947 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.150 -6.164 -1.956 1.00 0.00 C ATOM 0 H VAL A 20 5.081 -3.636 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 20 6.045 -5.475 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 20 5.895 -5.686 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.891 -8.122 -2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.376 -7.360 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.068 -7.803 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.745 -6.855 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.927 -6.532 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.696 -5.182 -2.091 1.00 0.00 H new ATOM 294 N GLU A 21 8.131 -4.034 -2.184 1.00 0.00 N ATOM 295 CA GLU A 21 9.586 -3.814 -2.435 1.00 0.00 C ATOM 296 C GLU A 21 10.222 -3.162 -1.206 1.00 0.00 C ATOM 297 O GLU A 21 11.127 -3.713 -0.599 1.00 0.00 O ATOM 298 CB GLU A 21 9.760 -2.895 -3.647 1.00 0.00 C ATOM 299 CG GLU A 21 9.885 -3.742 -4.916 1.00 0.00 C ATOM 300 CD GLU A 21 10.731 -2.994 -5.948 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.185 -2.134 -6.620 1.00 0.00 O ATOM 302 OE2 GLU A 21 11.909 -3.294 -6.050 1.00 0.00 O ATOM 0 H GLU A 21 7.504 -3.457 -2.745 1.00 0.00 H new ATOM 0 HA GLU A 21 10.070 -4.771 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.908 -2.220 -3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.648 -2.275 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.344 -4.702 -4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.897 -3.953 -5.324 1.00 0.00 H new ATOM 309 N LEU A 22 9.760 -1.993 -0.828 1.00 0.00 N ATOM 310 CA LEU A 22 10.344 -1.313 0.364 1.00 0.00 C ATOM 311 C LEU A 22 10.140 -2.199 1.600 1.00 0.00 C ATOM 312 O LEU A 22 10.976 -2.250 2.479 1.00 0.00 O ATOM 313 CB LEU A 22 9.684 0.068 0.564 1.00 0.00 C ATOM 314 CG LEU A 22 8.222 -0.078 1.020 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.168 -0.201 2.550 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.428 1.155 0.583 1.00 0.00 C ATOM 0 H LEU A 22 9.007 -1.485 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 22 11.412 -1.157 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.244 0.638 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.723 0.632 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 22 7.790 -0.972 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.131 -0.304 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.734 -1.078 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.600 0.692 3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.392 1.053 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.863 2.047 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.463 1.244 -0.503 1.00 0.00 H new ATOM 328 N ALA A 23 9.027 -2.900 1.663 1.00 0.00 N ATOM 329 CA ALA A 23 8.744 -3.794 2.835 1.00 0.00 C ATOM 330 C ALA A 23 9.946 -4.707 3.091 1.00 0.00 C ATOM 331 O ALA A 23 10.355 -4.906 4.220 1.00 0.00 O ATOM 332 CB ALA A 23 7.513 -4.651 2.538 1.00 0.00 C ATOM 0 H ALA A 23 8.300 -2.890 0.948 1.00 0.00 H new ATOM 0 HA ALA A 23 8.560 -3.181 3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.308 -5.300 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.654 -4.004 2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.699 -5.260 1.653 1.00 0.00 H new ATOM 338 N ASN A 24 10.529 -5.237 2.044 1.00 0.00 N ATOM 339 CA ASN A 24 11.724 -6.110 2.212 1.00 0.00 C ATOM 340 C ASN A 24 12.850 -5.256 2.797 1.00 0.00 C ATOM 341 O ASN A 24 13.630 -5.705 3.613 1.00 0.00 O ATOM 342 CB ASN A 24 12.148 -6.669 0.849 1.00 0.00 C ATOM 343 CG ASN A 24 11.642 -8.106 0.703 1.00 0.00 C ATOM 344 OD1 ASN A 24 12.365 -9.046 0.966 1.00 0.00 O ATOM 345 ND2 ASN A 24 10.422 -8.316 0.293 1.00 0.00 N ATOM 0 H ASN A 24 10.226 -5.100 1.080 1.00 0.00 H new ATOM 0 HA ASN A 24 11.499 -6.945 2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.745 -6.048 0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.234 -6.644 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.075 -9.270 0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.815 -7.526 0.072 1.00 0.00 H new ATOM 352 N PHE A 25 12.916 -4.016 2.388 1.00 0.00 N ATOM 353 CA PHE A 25 13.964 -3.095 2.916 1.00 0.00 C ATOM 354 C PHE A 25 13.731 -2.851 4.408 1.00 0.00 C ATOM 355 O PHE A 25 14.649 -2.524 5.135 1.00 0.00 O ATOM 356 CB PHE A 25 13.890 -1.764 2.165 1.00 0.00 C ATOM 357 CG PHE A 25 15.074 -0.905 2.536 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.307 -1.102 1.903 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.939 0.089 3.512 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.405 -0.305 2.246 1.00 0.00 C ATOM 361 CE2 PHE A 25 16.037 0.887 3.855 1.00 0.00 C ATOM 362 CZ PHE A 25 17.270 0.689 3.222 1.00 0.00 C ATOM 0 H PHE A 25 12.283 -3.599 1.705 1.00 0.00 H new ATOM 0 HA PHE A 25 14.947 -3.544 2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.880 -1.942 1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.962 -1.247 2.411 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.411 -1.869 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.988 0.240 4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.356 -0.457 1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.933 1.655 4.607 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.118 1.304 3.487 1.00 0.00 H new ATOM 372 N GLU A 26 12.514 -3.002 4.871 1.00 0.00 N ATOM 373 CA GLU A 26 12.233 -2.775 6.320 1.00 0.00 C ATOM 374 C GLU A 26 12.746 -3.968 7.130 1.00 0.00 C ATOM 375 O GLU A 26 13.561 -3.818 8.022 1.00 0.00 O ATOM 376 CB GLU A 26 10.723 -2.620 6.549 1.00 0.00 C ATOM 377 CG GLU A 26 10.123 -1.630 5.540 1.00 0.00 C ATOM 378 CD GLU A 26 10.817 -0.268 5.650 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.997 -0.200 5.354 1.00 0.00 O ATOM 380 OE2 GLU A 26 10.153 0.684 6.028 1.00 0.00 O ATOM 0 H GLU A 26 11.707 -3.272 4.309 1.00 0.00 H new ATOM 0 HA GLU A 26 12.738 -1.864 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.233 -3.589 6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.538 -2.270 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.233 -2.021 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.055 -1.517 5.724 1.00 0.00 H new ATOM 387 N LYS A 27 12.272 -5.150 6.827 1.00 0.00 N ATOM 388 CA LYS A 27 12.725 -6.359 7.577 1.00 0.00 C ATOM 389 C LYS A 27 14.208 -6.611 7.296 1.00 0.00 C ATOM 390 O LYS A 27 14.970 -6.928 8.191 1.00 0.00 O ATOM 391 CB LYS A 27 11.907 -7.574 7.133 1.00 0.00 C ATOM 392 CG LYS A 27 11.901 -8.621 8.247 1.00 0.00 C ATOM 393 CD LYS A 27 11.728 -10.014 7.638 1.00 0.00 C ATOM 394 CE LYS A 27 12.199 -11.072 8.638 1.00 0.00 C ATOM 395 NZ LYS A 27 13.688 -11.120 8.645 1.00 0.00 N ATOM 0 H LYS A 27 11.589 -5.329 6.091 1.00 0.00 H new ATOM 0 HA LYS A 27 12.581 -6.196 8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.886 -7.272 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.331 -7.998 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.832 -8.572 8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.092 -8.416 8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.682 -10.182 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.301 -10.092 6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.827 -10.836 9.635 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.794 -12.048 8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.005 -12.006 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.041 -11.076 7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.059 -10.312 9.184 1.00 0.00 H new ATOM 409 N ASN A 28 14.627 -6.466 6.060 1.00 0.00 N ATOM 410 CA ASN A 28 16.067 -6.688 5.717 1.00 0.00 C ATOM 411 C ASN A 28 16.948 -5.759 6.562 1.00 0.00 C ATOM 412 O ASN A 28 18.106 -6.042 6.809 1.00 0.00 O ATOM 413 CB ASN A 28 16.293 -6.391 4.233 1.00 0.00 C ATOM 414 CG ASN A 28 15.683 -7.511 3.389 1.00 0.00 C ATOM 415 OD1 ASN A 28 15.622 -8.646 3.818 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.227 -7.240 2.197 1.00 0.00 N ATOM 0 H ASN A 28 14.032 -6.203 5.274 1.00 0.00 H new ATOM 0 HA ASN A 28 16.330 -7.725 5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.840 -5.435 3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.360 -6.306 4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.820 -7.981 1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.278 -6.287 1.836 1.00 0.00 H new ATOM 423 N VAL A 29 16.400 -4.659 7.013 1.00 0.00 N ATOM 424 CA VAL A 29 17.184 -3.709 7.851 1.00 0.00 C ATOM 425 C VAL A 29 17.016 -4.113 9.324 1.00 0.00 C ATOM 426 O VAL A 29 16.148 -4.894 9.665 1.00 0.00 O ATOM 427 CB VAL A 29 16.663 -2.282 7.597 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.252 -1.293 8.614 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.075 -1.847 6.190 1.00 0.00 C ATOM 0 H VAL A 29 15.436 -4.379 6.834 1.00 0.00 H new ATOM 0 HA VAL A 29 18.244 -3.737 7.599 1.00 0.00 H new ATOM 0 HB VAL A 29 15.578 -2.284 7.699 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.868 -0.293 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.967 -1.595 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.339 -1.289 8.530 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.711 -0.837 6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.162 -1.862 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.646 -2.531 5.458 1.00 0.00 H new ATOM 439 N SER A 30 17.856 -3.604 10.188 1.00 0.00 N ATOM 440 CA SER A 30 17.770 -3.972 11.632 1.00 0.00 C ATOM 441 C SER A 30 16.619 -3.229 12.317 1.00 0.00 C ATOM 442 O SER A 30 15.631 -3.826 12.702 1.00 0.00 O ATOM 443 CB SER A 30 19.085 -3.608 12.321 1.00 0.00 C ATOM 444 OG SER A 30 19.011 -3.967 13.694 1.00 0.00 O ATOM 0 H SER A 30 18.600 -2.947 9.954 1.00 0.00 H new ATOM 0 HA SER A 30 17.586 -5.044 11.709 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.916 -4.127 11.842 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.277 -2.540 12.222 1.00 0.00 H new ATOM 0 HG SER A 30 19.854 -3.736 14.138 1.00 0.00 H new ATOM 450 N GLN A 31 16.751 -1.938 12.496 1.00 0.00 N ATOM 451 CA GLN A 31 15.678 -1.159 13.186 1.00 0.00 C ATOM 452 C GLN A 31 14.586 -0.740 12.192 1.00 0.00 C ATOM 453 O GLN A 31 14.397 0.433 11.921 1.00 0.00 O ATOM 454 CB GLN A 31 16.297 0.086 13.829 1.00 0.00 C ATOM 455 CG GLN A 31 17.103 -0.323 15.063 1.00 0.00 C ATOM 456 CD GLN A 31 16.153 -0.835 16.147 1.00 0.00 C ATOM 457 OE1 GLN A 31 15.640 -0.064 16.934 1.00 0.00 O ATOM 458 NE2 GLN A 31 15.896 -2.112 16.222 1.00 0.00 N ATOM 0 H GLN A 31 17.556 -1.390 12.194 1.00 0.00 H new ATOM 0 HA GLN A 31 15.222 -1.786 13.952 1.00 0.00 H new ATOM 0 HB2 GLN A 31 16.942 0.595 13.113 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.514 0.790 14.110 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.823 -1.098 14.800 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.673 0.528 15.436 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.327 -2.759 15.561 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.264 -2.464 16.941 1.00 0.00 H new ATOM 467 N ALA A 32 13.854 -1.687 11.660 1.00 0.00 N ATOM 468 CA ALA A 32 12.762 -1.342 10.702 1.00 0.00 C ATOM 469 C ALA A 32 11.653 -2.392 10.789 1.00 0.00 C ATOM 470 O ALA A 32 10.955 -2.649 9.825 1.00 0.00 O ATOM 471 CB ALA A 32 13.317 -1.299 9.281 1.00 0.00 C ATOM 0 H ALA A 32 13.966 -2.683 11.848 1.00 0.00 H new ATOM 0 HA ALA A 32 12.355 -0.364 10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.517 -1.047 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.102 -0.545 9.220 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.729 -2.274 9.022 1.00 0.00 H new ATOM 477 N ILE A 33 11.484 -2.998 11.936 1.00 0.00 N ATOM 478 CA ILE A 33 10.419 -4.031 12.095 1.00 0.00 C ATOM 479 C ILE A 33 9.064 -3.341 12.357 1.00 0.00 C ATOM 480 O ILE A 33 8.021 -3.915 12.121 1.00 0.00 O ATOM 481 CB ILE A 33 10.844 -5.016 13.229 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.914 -6.446 12.668 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.881 -4.999 14.427 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.895 -6.511 11.488 1.00 0.00 C ATOM 0 H ILE A 33 12.041 -2.820 12.772 1.00 0.00 H new ATOM 0 HA ILE A 33 10.295 -4.617 11.185 1.00 0.00 H new ATOM 0 HB ILE A 33 11.820 -4.687 13.586 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.231 -7.135 13.451 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.923 -6.765 12.344 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.228 -5.703 15.183 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.848 -3.996 14.853 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.883 -5.285 14.096 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.933 -7.530 11.102 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.561 -5.837 10.699 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.888 -6.213 11.824 1.00 0.00 H new ATOM 496 N HIS A 34 9.080 -2.117 12.824 1.00 0.00 N ATOM 497 CA HIS A 34 7.791 -1.391 13.074 1.00 0.00 C ATOM 498 C HIS A 34 7.234 -0.939 11.723 1.00 0.00 C ATOM 499 O HIS A 34 6.086 -1.183 11.395 1.00 0.00 O ATOM 500 CB HIS A 34 7.995 -0.168 13.996 1.00 0.00 C ATOM 501 CG HIS A 34 9.293 0.539 13.688 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.490 0.163 14.277 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.602 1.583 12.850 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.452 0.963 13.789 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.966 1.850 12.916 1.00 0.00 N ATOM 0 H HIS A 34 9.925 -1.589 13.043 1.00 0.00 H new ATOM 0 HA HIS A 34 7.094 -2.061 13.578 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.163 0.525 13.874 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.992 -0.490 15.037 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.617 -0.586 14.958 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.893 2.116 12.233 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.493 0.897 14.069 1.00 0.00 H new ATOM 513 N LYS A 35 8.057 -0.307 10.928 1.00 0.00 N ATOM 514 CA LYS A 35 7.608 0.142 9.578 1.00 0.00 C ATOM 515 C LYS A 35 7.354 -1.095 8.705 1.00 0.00 C ATOM 516 O LYS A 35 6.560 -1.065 7.785 1.00 0.00 O ATOM 517 CB LYS A 35 8.691 1.024 8.940 1.00 0.00 C ATOM 518 CG LYS A 35 10.010 0.248 8.826 1.00 0.00 C ATOM 519 CD LYS A 35 11.173 1.228 8.643 1.00 0.00 C ATOM 520 CE LYS A 35 11.420 1.991 9.947 1.00 0.00 C ATOM 521 NZ LYS A 35 11.712 3.419 9.637 1.00 0.00 N ATOM 0 H LYS A 35 9.025 -0.082 11.157 1.00 0.00 H new ATOM 0 HA LYS A 35 6.690 0.723 9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.367 1.352 7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.840 1.921 9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.167 -0.354 9.721 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.966 -0.440 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.073 0.687 8.351 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.947 1.928 7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.546 1.919 10.594 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.255 1.547 10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.880 3.939 10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.558 3.478 9.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.902 3.838 9.138 1.00 0.00 H new ATOM 535 N TYR A 36 8.023 -2.186 9.000 1.00 0.00 N ATOM 536 CA TYR A 36 7.834 -3.443 8.216 1.00 0.00 C ATOM 537 C TYR A 36 6.351 -3.842 8.239 1.00 0.00 C ATOM 538 O TYR A 36 5.745 -4.075 7.210 1.00 0.00 O ATOM 539 CB TYR A 36 8.689 -4.545 8.862 1.00 0.00 C ATOM 540 CG TYR A 36 8.503 -5.860 8.140 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.653 -5.930 6.751 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.184 -7.012 8.869 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.483 -7.151 6.091 1.00 0.00 C ATOM 544 CE2 TYR A 36 8.014 -8.234 8.210 1.00 0.00 C ATOM 545 CZ TYR A 36 8.164 -8.304 6.820 1.00 0.00 C ATOM 546 OH TYR A 36 7.997 -9.509 6.168 1.00 0.00 O ATOM 0 H TYR A 36 8.699 -2.256 9.760 1.00 0.00 H new ATOM 0 HA TYR A 36 8.139 -3.297 7.180 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.740 -4.257 8.838 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.413 -4.658 9.910 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.900 -5.042 6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.069 -6.957 9.941 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.598 -7.205 5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.767 -9.122 8.773 1.00 0.00 H new ATOM 0 HH TYR A 36 7.780 -10.207 6.821 1.00 0.00 H new ATOM 556 N ASN A 37 5.768 -3.911 9.409 1.00 0.00 N ATOM 557 CA ASN A 37 4.325 -4.282 9.518 1.00 0.00 C ATOM 558 C ASN A 37 3.473 -3.250 8.772 1.00 0.00 C ATOM 559 O ASN A 37 2.404 -3.557 8.279 1.00 0.00 O ATOM 560 CB ASN A 37 3.916 -4.311 10.993 1.00 0.00 C ATOM 561 CG ASN A 37 4.075 -5.730 11.541 1.00 0.00 C ATOM 562 OD1 ASN A 37 3.108 -6.353 11.935 1.00 0.00 O ATOM 563 ND2 ASN A 37 5.261 -6.272 11.581 1.00 0.00 N ATOM 0 H ASN A 37 6.232 -3.725 10.298 1.00 0.00 H new ATOM 0 HA ASN A 37 4.169 -5.267 9.078 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.532 -3.618 11.566 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.882 -3.982 11.101 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.377 -7.219 11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.072 -5.749 11.250 1.00 0.00 H new ATOM 570 N ALA A 38 3.946 -2.030 8.681 1.00 0.00 N ATOM 571 CA ALA A 38 3.179 -0.966 7.959 1.00 0.00 C ATOM 572 C ALA A 38 2.893 -1.412 6.521 1.00 0.00 C ATOM 573 O ALA A 38 1.755 -1.556 6.115 1.00 0.00 O ATOM 574 CB ALA A 38 4.014 0.316 7.924 1.00 0.00 C ATOM 0 H ALA A 38 4.835 -1.724 9.078 1.00 0.00 H new ATOM 0 HA ALA A 38 2.237 -0.789 8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.462 1.096 7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.223 0.642 8.943 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.953 0.125 7.405 1.00 0.00 H new ATOM 580 N TYR A 39 3.926 -1.621 5.752 1.00 0.00 N ATOM 581 CA TYR A 39 3.744 -2.041 4.332 1.00 0.00 C ATOM 582 C TYR A 39 3.415 -3.540 4.241 1.00 0.00 C ATOM 583 O TYR A 39 3.203 -4.059 3.161 1.00 0.00 O ATOM 584 CB TYR A 39 5.031 -1.749 3.558 1.00 0.00 C ATOM 585 CG TYR A 39 5.383 -0.285 3.707 1.00 0.00 C ATOM 586 CD1 TYR A 39 6.142 0.146 4.803 1.00 0.00 C ATOM 587 CD2 TYR A 39 4.949 0.639 2.752 1.00 0.00 C ATOM 588 CE1 TYR A 39 6.466 1.500 4.943 1.00 0.00 C ATOM 589 CE2 TYR A 39 5.273 1.994 2.890 1.00 0.00 C ATOM 590 CZ TYR A 39 6.031 2.425 3.986 1.00 0.00 C ATOM 591 OH TYR A 39 6.349 3.761 4.123 1.00 0.00 O ATOM 0 H TYR A 39 4.897 -1.518 6.048 1.00 0.00 H new ATOM 0 HA TYR A 39 2.912 -1.483 3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.844 -2.370 3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.900 -1.998 2.505 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.477 -0.568 5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.363 0.307 1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.051 1.831 5.788 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.938 2.707 2.151 1.00 0.00 H new ATOM 0 HH TYR A 39 5.971 4.266 3.373 1.00 0.00 H new ATOM 601 N ARG A 40 3.365 -4.240 5.352 1.00 0.00 N ATOM 602 CA ARG A 40 3.042 -5.697 5.303 1.00 0.00 C ATOM 603 C ARG A 40 1.522 -5.876 5.345 1.00 0.00 C ATOM 604 O ARG A 40 0.975 -6.757 4.705 1.00 0.00 O ATOM 605 CB ARG A 40 3.686 -6.405 6.506 1.00 0.00 C ATOM 606 CG ARG A 40 4.717 -7.428 6.018 1.00 0.00 C ATOM 607 CD ARG A 40 4.007 -8.541 5.244 1.00 0.00 C ATOM 608 NE ARG A 40 3.111 -9.301 6.169 1.00 0.00 N ATOM 609 CZ ARG A 40 3.591 -10.191 7.016 1.00 0.00 C ATOM 610 NH1 ARG A 40 4.877 -10.448 7.088 1.00 0.00 N ATOM 611 NH2 ARG A 40 2.769 -10.829 7.803 1.00 0.00 N ATOM 0 H ARG A 40 3.534 -3.864 6.285 1.00 0.00 H new ATOM 0 HA ARG A 40 3.432 -6.132 4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.166 -5.673 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.919 -6.903 7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.454 -6.941 5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.257 -7.848 6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.426 -8.115 4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.740 -9.213 4.798 1.00 0.00 H new ATOM 0 HE ARG A 40 2.106 -9.127 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.531 -9.954 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.222 -11.141 7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.768 -10.637 7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.127 -11.520 8.463 1.00 0.00 H new ATOM 625 N LYS A 41 0.839 -5.044 6.090 1.00 0.00 N ATOM 626 CA LYS A 41 -0.646 -5.156 6.179 1.00 0.00 C ATOM 627 C LYS A 41 -1.281 -4.484 4.960 1.00 0.00 C ATOM 628 O LYS A 41 -2.165 -5.033 4.329 1.00 0.00 O ATOM 629 CB LYS A 41 -1.134 -4.465 7.454 1.00 0.00 C ATOM 630 CG LYS A 41 -0.485 -5.124 8.672 1.00 0.00 C ATOM 631 CD LYS A 41 -1.464 -5.104 9.848 1.00 0.00 C ATOM 632 CE LYS A 41 -0.844 -5.830 11.043 1.00 0.00 C ATOM 633 NZ LYS A 41 -1.656 -5.564 12.263 1.00 0.00 N ATOM 0 H LYS A 41 1.249 -4.290 6.642 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.931 -6.208 6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.883 -3.405 7.424 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.219 -4.534 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.204 -6.151 8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.431 -4.597 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.703 -4.075 10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.400 -5.584 9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.801 -6.902 10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.181 -5.492 11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.234 -6.058 13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.675 -4.541 12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.627 -5.907 12.116 1.00 0.00 H new ATOM 647 N ALA A 42 -0.834 -3.299 4.626 1.00 0.00 N ATOM 648 CA ALA A 42 -1.404 -2.582 3.448 1.00 0.00 C ATOM 649 C ALA A 42 -1.112 -3.382 2.176 1.00 0.00 C ATOM 650 O ALA A 42 -1.963 -3.531 1.318 1.00 0.00 O ATOM 651 CB ALA A 42 -0.768 -1.196 3.336 1.00 0.00 C ATOM 0 H ALA A 42 -0.097 -2.797 5.121 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.482 -2.477 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.185 -0.673 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.975 -0.626 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.310 -1.299 3.211 1.00 0.00 H new ATOM 657 N ALA A 43 0.084 -3.895 2.052 1.00 0.00 N ATOM 658 CA ALA A 43 0.441 -4.689 0.841 1.00 0.00 C ATOM 659 C ALA A 43 -0.331 -6.012 0.843 1.00 0.00 C ATOM 660 O ALA A 43 -0.575 -6.595 -0.196 1.00 0.00 O ATOM 661 CB ALA A 43 1.944 -4.976 0.845 1.00 0.00 C ATOM 0 H ALA A 43 0.831 -3.797 2.740 1.00 0.00 H new ATOM 0 HA ALA A 43 0.180 -4.121 -0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.206 -5.556 -0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.494 -4.035 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.204 -5.541 1.740 1.00 0.00 H new ATOM 667 N SER A 44 -0.711 -6.492 2.002 1.00 0.00 N ATOM 668 CA SER A 44 -1.462 -7.780 2.074 1.00 0.00 C ATOM 669 C SER A 44 -2.940 -7.540 1.756 1.00 0.00 C ATOM 670 O SER A 44 -3.623 -8.415 1.257 1.00 0.00 O ATOM 671 CB SER A 44 -1.333 -8.364 3.481 1.00 0.00 C ATOM 672 OG SER A 44 -0.085 -9.034 3.599 1.00 0.00 O ATOM 0 H SER A 44 -0.532 -6.045 2.901 1.00 0.00 H new ATOM 0 HA SER A 44 -1.048 -8.478 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.404 -7.570 4.225 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.151 -9.058 3.676 1.00 0.00 H new ATOM 0 HG SER A 44 0.570 -8.434 4.013 1.00 0.00 H new ATOM 678 N VAL A 45 -3.441 -6.364 2.046 1.00 0.00 N ATOM 679 CA VAL A 45 -4.879 -6.070 1.766 1.00 0.00 C ATOM 680 C VAL A 45 -5.029 -5.492 0.352 1.00 0.00 C ATOM 681 O VAL A 45 -5.911 -5.880 -0.390 1.00 0.00 O ATOM 682 CB VAL A 45 -5.424 -5.078 2.811 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.689 -3.735 2.713 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.919 -4.850 2.569 1.00 0.00 C ATOM 0 H VAL A 45 -2.916 -5.596 2.464 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.453 -6.995 1.828 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.266 -5.498 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.087 -3.047 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.625 -3.889 2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.832 -3.314 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.304 -4.148 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.068 -4.442 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.450 -5.798 2.657 1.00 0.00 H new ATOM 694 N ILE A 46 -4.177 -4.569 -0.021 1.00 0.00 N ATOM 695 CA ILE A 46 -4.273 -3.963 -1.384 1.00 0.00 C ATOM 696 C ILE A 46 -3.876 -5.002 -2.437 1.00 0.00 C ATOM 697 O ILE A 46 -4.602 -5.243 -3.384 1.00 0.00 O ATOM 698 CB ILE A 46 -3.337 -2.752 -1.471 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.686 -1.761 -0.356 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.506 -2.067 -2.829 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.667 -0.619 -0.344 1.00 0.00 C ATOM 0 H ILE A 46 -3.420 -4.209 0.560 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.298 -3.641 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.305 -3.083 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.690 -1.364 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.688 -2.269 0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.839 -1.207 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.261 -2.771 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.538 -1.735 -2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.918 0.084 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.670 -1.023 -0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.687 -0.104 -1.304 1.00 0.00 H new ATOM 713 N ALA A 47 -2.731 -5.616 -2.279 1.00 0.00 N ATOM 714 CA ALA A 47 -2.279 -6.640 -3.270 1.00 0.00 C ATOM 715 C ALA A 47 -3.284 -7.800 -3.328 1.00 0.00 C ATOM 716 O ALA A 47 -3.334 -8.533 -4.298 1.00 0.00 O ATOM 717 CB ALA A 47 -0.909 -7.179 -2.855 1.00 0.00 C ATOM 0 H ALA A 47 -2.088 -5.452 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.212 -6.176 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.578 -7.926 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.190 -6.360 -2.824 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.981 -7.635 -1.868 1.00 0.00 H new ATOM 723 N LYS A 48 -4.082 -7.971 -2.302 1.00 0.00 N ATOM 724 CA LYS A 48 -5.080 -9.082 -2.301 1.00 0.00 C ATOM 725 C LYS A 48 -6.493 -8.499 -2.224 1.00 0.00 C ATOM 726 O LYS A 48 -7.401 -9.120 -1.706 1.00 0.00 O ATOM 727 CB LYS A 48 -4.837 -9.981 -1.088 1.00 0.00 C ATOM 728 CG LYS A 48 -5.619 -11.285 -1.254 1.00 0.00 C ATOM 729 CD LYS A 48 -4.861 -12.425 -0.569 1.00 0.00 C ATOM 730 CE LYS A 48 -5.185 -12.428 0.925 1.00 0.00 C ATOM 731 NZ LYS A 48 -6.342 -13.333 1.182 1.00 0.00 N ATOM 0 H LYS A 48 -4.084 -7.388 -1.465 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.976 -9.665 -3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.773 -10.193 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.148 -9.471 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.614 -11.183 -0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.754 -11.508 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.140 -13.380 -1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.788 -12.304 -0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.317 -12.759 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.419 -11.417 1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.562 -13.335 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.170 -12.998 0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.102 -14.298 0.878 1.00 0.00 H new ATOM 745 N TYR A 49 -6.678 -7.309 -2.735 1.00 0.00 N ATOM 746 CA TYR A 49 -8.027 -6.672 -2.695 1.00 0.00 C ATOM 747 C TYR A 49 -8.809 -7.067 -3.960 1.00 0.00 C ATOM 748 O TYR A 49 -8.220 -7.212 -5.013 1.00 0.00 O ATOM 749 CB TYR A 49 -7.854 -5.147 -2.647 1.00 0.00 C ATOM 750 CG TYR A 49 -9.033 -4.495 -1.953 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.504 -4.997 -0.732 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.649 -3.377 -2.527 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.587 -4.387 -0.091 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.732 -2.765 -1.885 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.202 -3.270 -0.668 1.00 0.00 C ATOM 756 OH TYR A 49 -12.269 -2.666 -0.035 1.00 0.00 O ATOM 0 H TYR A 49 -5.950 -6.750 -3.180 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.575 -7.006 -1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.933 -4.897 -2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.759 -4.755 -3.660 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.029 -5.858 -0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.288 -2.986 -3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.949 -4.778 0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.205 -1.902 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.182 -2.781 0.934 1.00 0.00 H new ATOM 766 N PRO A 50 -10.115 -7.228 -3.838 1.00 0.00 N ATOM 767 CA PRO A 50 -11.002 -7.603 -4.982 1.00 0.00 C ATOM 768 C PRO A 50 -11.446 -6.361 -5.762 1.00 0.00 C ATOM 769 O PRO A 50 -12.213 -6.462 -6.703 1.00 0.00 O ATOM 770 CB PRO A 50 -12.194 -8.263 -4.303 1.00 0.00 C ATOM 771 CG PRO A 50 -12.258 -7.729 -2.883 1.00 0.00 C ATOM 772 CD PRO A 50 -10.916 -7.061 -2.572 1.00 0.00 C ATOM 0 HA PRO A 50 -10.507 -8.250 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.115 -8.038 -4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.083 -9.347 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.074 -7.013 -2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.454 -8.538 -2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.045 -6.009 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.423 -7.535 -1.724 1.00 0.00 H new ATOM 780 N HIS A 51 -10.985 -5.190 -5.381 1.00 0.00 N ATOM 781 CA HIS A 51 -11.406 -3.955 -6.109 1.00 0.00 C ATOM 782 C HIS A 51 -10.234 -2.974 -6.170 1.00 0.00 C ATOM 783 O HIS A 51 -9.154 -3.255 -5.686 1.00 0.00 O ATOM 784 CB HIS A 51 -12.591 -3.307 -5.378 1.00 0.00 C ATOM 785 CG HIS A 51 -13.621 -4.360 -5.054 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.403 -4.956 -6.031 1.00 0.00 N ATOM 787 CD2 HIS A 51 -13.985 -4.952 -3.870 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.188 -5.865 -5.422 1.00 0.00 C ATOM 789 NE2 HIS A 51 -14.974 -5.902 -4.105 1.00 0.00 N ATOM 0 H HIS A 51 -10.341 -5.040 -4.604 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.710 -4.215 -7.123 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.248 -2.826 -4.462 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.034 -2.529 -6.000 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.567 -4.716 -2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.904 -6.489 -5.937 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.436 -6.498 -3.419 1.00 0.00 H new ATOM 797 N LYS A 52 -10.439 -1.827 -6.767 1.00 0.00 N ATOM 798 CA LYS A 52 -9.339 -0.823 -6.870 1.00 0.00 C ATOM 799 C LYS A 52 -9.598 0.325 -5.893 1.00 0.00 C ATOM 800 O LYS A 52 -10.718 0.771 -5.729 1.00 0.00 O ATOM 801 CB LYS A 52 -9.282 -0.275 -8.297 1.00 0.00 C ATOM 802 CG LYS A 52 -7.882 0.276 -8.577 1.00 0.00 C ATOM 803 CD LYS A 52 -7.761 0.633 -10.060 1.00 0.00 C ATOM 804 CE LYS A 52 -6.647 1.665 -10.247 1.00 0.00 C ATOM 805 NZ LYS A 52 -7.229 3.037 -10.208 1.00 0.00 N ATOM 0 H LYS A 52 -11.323 -1.543 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.390 -1.299 -6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.524 -1.063 -9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.026 0.511 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.697 1.158 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.128 -0.463 -8.307 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.544 -0.262 -10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.706 1.032 -10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.898 1.554 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.140 1.500 -11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.472 3.739 -10.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.928 3.139 -10.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.694 3.191 -9.290 1.00 0.00 H new ATOM 819 N ILE A 53 -8.567 0.804 -5.244 1.00 0.00 N ATOM 820 CA ILE A 53 -8.740 1.926 -4.275 1.00 0.00 C ATOM 821 C ILE A 53 -8.894 3.240 -5.043 1.00 0.00 C ATOM 822 O ILE A 53 -7.942 3.760 -5.595 1.00 0.00 O ATOM 823 CB ILE A 53 -7.513 2.006 -3.365 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.270 0.641 -2.715 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.755 3.051 -2.274 1.00 0.00 C ATOM 826 CD1 ILE A 53 -5.950 0.672 -1.943 1.00 0.00 C ATOM 0 H ILE A 53 -7.610 0.465 -5.345 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.630 1.752 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.641 2.289 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.092 0.395 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.239 -0.137 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.881 3.109 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.930 4.024 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.627 2.766 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.776 -0.299 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.133 0.899 -2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.999 1.439 -1.170 1.00 0.00 H new ATOM 838 N LYS A 54 -10.086 3.778 -5.082 1.00 0.00 N ATOM 839 CA LYS A 54 -10.314 5.059 -5.814 1.00 0.00 C ATOM 840 C LYS A 54 -9.689 6.215 -5.030 1.00 0.00 C ATOM 841 O LYS A 54 -8.706 6.798 -5.448 1.00 0.00 O ATOM 842 CB LYS A 54 -11.817 5.299 -5.966 1.00 0.00 C ATOM 843 CG LYS A 54 -12.289 4.748 -7.313 1.00 0.00 C ATOM 844 CD LYS A 54 -13.802 4.524 -7.272 1.00 0.00 C ATOM 845 CE LYS A 54 -14.292 4.092 -8.656 1.00 0.00 C ATOM 846 NZ LYS A 54 -15.772 3.924 -8.628 1.00 0.00 N ATOM 0 H LYS A 54 -10.914 3.383 -4.636 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.854 5.000 -6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.357 4.814 -5.153 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.034 6.365 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.036 5.445 -8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.778 3.811 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.047 3.761 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.308 5.439 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.014 4.837 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.814 3.156 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.106 3.630 -9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.026 3.198 -7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.219 4.826 -8.368 1.00 0.00 H new ATOM 860 N SER A 55 -10.255 6.551 -3.900 1.00 0.00 N ATOM 861 CA SER A 55 -9.702 7.672 -3.083 1.00 0.00 C ATOM 862 C SER A 55 -8.908 7.103 -1.904 1.00 0.00 C ATOM 863 O SER A 55 -8.878 5.907 -1.684 1.00 0.00 O ATOM 864 CB SER A 55 -10.851 8.532 -2.555 1.00 0.00 C ATOM 865 OG SER A 55 -10.317 9.654 -1.864 1.00 0.00 O ATOM 0 H SER A 55 -11.079 6.096 -3.507 1.00 0.00 H new ATOM 0 HA SER A 55 -9.045 8.282 -3.702 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.481 8.864 -3.380 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.483 7.946 -1.888 1.00 0.00 H new ATOM 0 HG SER A 55 -11.050 10.209 -1.525 1.00 0.00 H new ATOM 871 N GLY A 56 -8.265 7.957 -1.147 1.00 0.00 N ATOM 872 CA GLY A 56 -7.468 7.480 0.021 1.00 0.00 C ATOM 873 C GLY A 56 -8.392 6.796 1.032 1.00 0.00 C ATOM 874 O GLY A 56 -7.982 5.909 1.757 1.00 0.00 O ATOM 0 H GLY A 56 -8.259 8.967 -1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.698 6.784 -0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.956 8.320 0.492 1.00 0.00 H new ATOM 878 N ALA A 57 -9.637 7.202 1.084 1.00 0.00 N ATOM 879 CA ALA A 57 -10.594 6.581 2.046 1.00 0.00 C ATOM 880 C ALA A 57 -10.748 5.091 1.726 1.00 0.00 C ATOM 881 O ALA A 57 -10.987 4.282 2.603 1.00 0.00 O ATOM 882 CB ALA A 57 -11.956 7.269 1.927 1.00 0.00 C ATOM 0 H ALA A 57 -10.031 7.939 0.499 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.214 6.698 3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.655 6.816 2.630 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.849 8.330 2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.335 7.152 0.912 1.00 0.00 H new ATOM 888 N GLU A 58 -10.607 4.728 0.477 1.00 0.00 N ATOM 889 CA GLU A 58 -10.739 3.293 0.088 1.00 0.00 C ATOM 890 C GLU A 58 -9.579 2.490 0.683 1.00 0.00 C ATOM 891 O GLU A 58 -9.701 1.307 0.938 1.00 0.00 O ATOM 892 CB GLU A 58 -10.713 3.175 -1.437 1.00 0.00 C ATOM 893 CG GLU A 58 -12.145 3.188 -1.976 1.00 0.00 C ATOM 894 CD GLU A 58 -12.665 4.626 -2.006 1.00 0.00 C ATOM 895 OE1 GLU A 58 -12.400 5.311 -2.980 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.321 5.018 -1.054 1.00 0.00 O ATOM 0 H GLU A 58 -10.405 5.367 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.682 2.900 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.144 4.000 -1.866 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.211 2.254 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.172 2.759 -2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.787 2.571 -1.348 1.00 0.00 H new ATOM 903 N ALA A 59 -8.453 3.125 0.903 1.00 0.00 N ATOM 904 CA ALA A 59 -7.280 2.404 1.480 1.00 0.00 C ATOM 905 C ALA A 59 -7.365 2.424 3.009 1.00 0.00 C ATOM 906 O ALA A 59 -6.877 1.531 3.675 1.00 0.00 O ATOM 907 CB ALA A 59 -5.990 3.091 1.032 1.00 0.00 C ATOM 0 H ALA A 59 -8.298 4.114 0.707 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.283 1.371 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.133 2.565 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.928 3.074 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.988 4.124 1.379 1.00 0.00 H new ATOM 913 N LYS A 60 -7.978 3.439 3.566 1.00 0.00 N ATOM 914 CA LYS A 60 -8.095 3.526 5.052 1.00 0.00 C ATOM 915 C LYS A 60 -9.165 2.545 5.538 1.00 0.00 C ATOM 916 O LYS A 60 -9.016 1.909 6.565 1.00 0.00 O ATOM 917 CB LYS A 60 -8.491 4.948 5.450 1.00 0.00 C ATOM 918 CG LYS A 60 -7.405 5.927 4.998 1.00 0.00 C ATOM 919 CD LYS A 60 -7.915 7.361 5.149 1.00 0.00 C ATOM 920 CE LYS A 60 -7.941 7.741 6.631 1.00 0.00 C ATOM 921 NZ LYS A 60 -8.539 9.098 6.785 1.00 0.00 N ATOM 0 H LYS A 60 -8.403 4.212 3.054 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.137 3.274 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.445 5.212 4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.625 5.011 6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.503 5.786 5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.135 5.733 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.271 8.047 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.914 7.450 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.521 7.010 7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.930 7.729 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.557 9.357 7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.968 9.791 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.509 9.094 6.411 1.00 0.00 H new ATOM 935 N LYS A 61 -10.244 2.420 4.806 1.00 0.00 N ATOM 936 CA LYS A 61 -11.333 1.483 5.216 1.00 0.00 C ATOM 937 C LYS A 61 -10.794 0.048 5.284 1.00 0.00 C ATOM 938 O LYS A 61 -11.334 -0.792 5.980 1.00 0.00 O ATOM 939 CB LYS A 61 -12.476 1.553 4.197 1.00 0.00 C ATOM 940 CG LYS A 61 -11.953 1.195 2.800 1.00 0.00 C ATOM 941 CD LYS A 61 -13.101 1.272 1.791 1.00 0.00 C ATOM 942 CE LYS A 61 -12.744 0.456 0.548 1.00 0.00 C ATOM 943 NZ LYS A 61 -13.978 0.188 -0.242 1.00 0.00 N ATOM 0 H LYS A 61 -10.417 2.929 3.939 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.701 1.772 6.201 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.273 0.866 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.906 2.555 4.188 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.155 1.879 2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.526 0.192 2.806 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.019 0.890 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.288 2.310 1.516 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.020 0.998 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.275 -0.484 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.735 -0.367 -1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.654 -0.346 0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.408 1.090 -0.531 1.00 0.00 H new ATOM 957 N LEU A 62 -9.737 -0.239 4.561 1.00 0.00 N ATOM 958 CA LEU A 62 -9.166 -1.619 4.575 1.00 0.00 C ATOM 959 C LEU A 62 -8.720 -1.978 6.006 1.00 0.00 C ATOM 960 O LEU A 62 -8.184 -1.137 6.703 1.00 0.00 O ATOM 961 CB LEU A 62 -7.956 -1.679 3.637 1.00 0.00 C ATOM 962 CG LEU A 62 -8.373 -1.271 2.220 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.139 -1.234 1.317 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.376 -2.286 1.666 1.00 0.00 C ATOM 0 H LEU A 62 -9.246 0.425 3.962 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.924 -2.328 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.171 -1.016 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.542 -2.687 3.627 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.835 -0.284 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.435 -0.944 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.424 -0.510 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.678 -2.221 1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.671 -1.993 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.916 -3.274 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.257 -2.315 2.308 1.00 0.00 H new ATOM 976 N PRO A 63 -8.942 -3.217 6.416 1.00 0.00 N ATOM 977 CA PRO A 63 -8.561 -3.705 7.779 1.00 0.00 C ATOM 978 C PRO A 63 -7.072 -4.048 7.818 1.00 0.00 C ATOM 979 O PRO A 63 -6.636 -5.036 7.257 1.00 0.00 O ATOM 980 CB PRO A 63 -9.417 -4.947 7.972 1.00 0.00 C ATOM 981 CG PRO A 63 -9.774 -5.465 6.592 1.00 0.00 C ATOM 982 CD PRO A 63 -9.588 -4.313 5.601 1.00 0.00 C ATOM 0 HA PRO A 63 -8.723 -2.965 8.563 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.874 -5.704 8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.317 -4.709 8.538 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.137 -6.308 6.323 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.803 -5.824 6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.958 -4.608 4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.542 -3.989 5.185 1.00 0.00 H new ATOM 990 N GLY A 64 -6.292 -3.229 8.472 1.00 0.00 N ATOM 991 CA GLY A 64 -4.825 -3.483 8.552 1.00 0.00 C ATOM 992 C GLY A 64 -4.065 -2.204 8.188 1.00 0.00 C ATOM 993 O GLY A 64 -2.938 -2.008 8.602 1.00 0.00 O ATOM 0 H GLY A 64 -6.611 -2.390 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.555 -3.805 9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.547 -4.290 7.873 1.00 0.00 H new ATOM 997 N VAL A 65 -4.674 -1.334 7.416 1.00 0.00 N ATOM 998 CA VAL A 65 -3.985 -0.068 7.025 1.00 0.00 C ATOM 999 C VAL A 65 -4.283 1.015 8.063 1.00 0.00 C ATOM 1000 O VAL A 65 -5.398 1.147 8.533 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.492 0.387 5.655 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.679 1.594 5.185 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.334 -0.755 4.648 1.00 0.00 C ATOM 0 H VAL A 65 -5.616 -1.448 7.042 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.910 -0.240 6.976 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.544 0.664 5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.040 1.918 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.789 2.408 5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.627 1.317 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.695 -0.432 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.282 -1.031 4.573 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.912 -1.617 4.981 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.292 1.791 8.421 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.504 2.870 9.429 1.00 0.00 C ATOM 1015 C GLY A 66 -3.514 4.230 8.728 1.00 0.00 C ATOM 1016 O GLY A 66 -4.065 4.378 7.654 1.00 0.00 O ATOM 0 H GLY A 66 -2.342 1.722 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.447 2.712 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.714 2.842 10.179 1.00 0.00 H new ATOM 1020 N THR A 67 -2.905 5.221 9.329 1.00 0.00 N ATOM 1021 CA THR A 67 -2.874 6.576 8.705 1.00 0.00 C ATOM 1022 C THR A 67 -1.530 6.786 8.003 1.00 0.00 C ATOM 1023 O THR A 67 -1.438 7.507 7.027 1.00 0.00 O ATOM 1024 CB THR A 67 -3.054 7.641 9.789 1.00 0.00 C ATOM 1025 OG1 THR A 67 -3.885 7.128 10.821 1.00 0.00 O ATOM 1026 CG2 THR A 67 -3.700 8.887 9.182 1.00 0.00 C ATOM 0 H THR A 67 -2.427 5.148 10.227 1.00 0.00 H new ATOM 0 HA THR A 67 -3.681 6.658 7.976 1.00 0.00 H new ATOM 0 HB THR A 67 -2.081 7.906 10.203 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.000 7.808 11.517 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.827 9.644 9.956 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.061 9.280 8.391 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.673 8.626 8.766 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.489 6.161 8.492 1.00 0.00 N ATOM 1035 CA LYS A 68 0.854 6.320 7.861 1.00 0.00 C ATOM 1036 C LYS A 68 0.845 5.677 6.473 1.00 0.00 C ATOM 1037 O LYS A 68 0.997 6.347 5.468 1.00 0.00 O ATOM 1038 CB LYS A 68 1.910 5.639 8.731 1.00 0.00 C ATOM 1039 CG LYS A 68 2.307 6.571 9.878 1.00 0.00 C ATOM 1040 CD LYS A 68 3.571 6.040 10.555 1.00 0.00 C ATOM 1041 CE LYS A 68 3.183 5.129 11.721 1.00 0.00 C ATOM 1042 NZ LYS A 68 4.363 4.319 12.133 1.00 0.00 N ATOM 0 H LYS A 68 -0.513 5.545 9.305 1.00 0.00 H new ATOM 0 HA LYS A 68 1.088 7.381 7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.520 4.702 9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.785 5.391 8.131 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.481 7.578 9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.495 6.639 10.602 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.177 5.489 9.836 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.179 6.870 10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.828 5.727 12.561 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.363 4.473 11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.099 3.700 12.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.683 3.738 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.132 4.953 12.430 1.00 0.00 H new ATOM 1056 N ILE A 69 0.670 4.380 6.410 1.00 0.00 N ATOM 1057 CA ILE A 69 0.651 3.682 5.090 1.00 0.00 C ATOM 1058 C ILE A 69 -0.505 4.214 4.239 1.00 0.00 C ATOM 1059 O ILE A 69 -0.359 4.439 3.052 1.00 0.00 O ATOM 1060 CB ILE A 69 0.475 2.178 5.319 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.598 1.664 6.234 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.519 1.435 3.978 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.970 1.886 5.580 1.00 0.00 C ATOM 0 H ILE A 69 0.539 3.774 7.220 1.00 0.00 H new ATOM 0 HA ILE A 69 1.590 3.865 4.567 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.490 1.998 5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.558 2.180 7.193 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.453 0.603 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.393 0.366 4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.284 1.796 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.479 1.614 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.753 1.516 6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.013 1.349 4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.120 2.951 5.401 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.651 4.415 4.838 1.00 0.00 N ATOM 1076 CA ALA A 70 -2.825 4.931 4.068 1.00 0.00 C ATOM 1077 C ALA A 70 -2.483 6.293 3.459 1.00 0.00 C ATOM 1078 O ALA A 70 -2.910 6.618 2.366 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.027 5.077 5.004 1.00 0.00 C ATOM 0 H ALA A 70 -1.825 4.244 5.828 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.069 4.230 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.882 5.453 4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.274 4.106 5.434 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.783 5.776 5.804 1.00 0.00 H new ATOM 1085 N GLU A 71 -1.711 7.089 4.157 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.329 8.427 3.629 1.00 0.00 C ATOM 1087 C GLU A 71 -0.558 8.258 2.316 1.00 0.00 C ATOM 1088 O GLU A 71 -0.766 8.987 1.363 1.00 0.00 O ATOM 1089 CB GLU A 71 -0.445 9.147 4.651 1.00 0.00 C ATOM 1090 CG GLU A 71 -1.321 9.992 5.577 1.00 0.00 C ATOM 1091 CD GLU A 71 -1.918 11.161 4.790 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -1.225 12.151 4.622 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -3.057 11.046 4.370 1.00 0.00 O ATOM 0 H GLU A 71 -1.329 6.864 5.075 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.229 9.016 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.123 8.421 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.279 9.781 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.118 9.380 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.730 10.367 6.412 1.00 0.00 H new ATOM 1100 N LYS A 72 0.325 7.293 2.262 1.00 0.00 N ATOM 1101 CA LYS A 72 1.113 7.057 1.016 1.00 0.00 C ATOM 1102 C LYS A 72 0.159 6.692 -0.125 1.00 0.00 C ATOM 1103 O LYS A 72 0.417 6.983 -1.278 1.00 0.00 O ATOM 1104 CB LYS A 72 2.099 5.910 1.243 1.00 0.00 C ATOM 1105 CG LYS A 72 3.328 6.108 0.354 1.00 0.00 C ATOM 1106 CD LYS A 72 4.236 7.176 0.965 1.00 0.00 C ATOM 1107 CE LYS A 72 5.258 7.636 -0.077 1.00 0.00 C ATOM 1108 NZ LYS A 72 6.262 6.557 -0.296 1.00 0.00 N ATOM 0 H LYS A 72 0.534 6.656 3.031 1.00 0.00 H new ATOM 0 HA LYS A 72 1.664 7.961 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.397 5.875 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.622 4.957 1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.871 5.169 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.020 6.408 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.641 8.024 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.748 6.776 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.756 7.876 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.754 8.546 0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.957 6.868 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.749 6.349 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.782 5.700 -0.636 1.00 0.00 H new ATOM 1122 N ILE A 73 -0.945 6.063 0.195 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.928 5.680 -0.862 1.00 0.00 C ATOM 1124 C ILE A 73 -2.472 6.951 -1.521 1.00 0.00 C ATOM 1125 O ILE A 73 -2.528 7.058 -2.731 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.083 4.891 -0.230 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.530 3.675 0.533 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -4.045 4.418 -1.324 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.760 2.751 -0.420 1.00 0.00 C ATOM 0 H ILE A 73 -1.207 5.798 1.145 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.439 5.058 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.618 5.537 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.873 4.009 1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.349 3.127 0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.864 3.858 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.446 5.282 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.511 3.777 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.375 1.895 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.428 2.402 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.929 3.298 -0.865 1.00 0.00 H new ATOM 1141 N ASP A 74 -2.862 7.918 -0.728 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.399 9.196 -1.289 1.00 0.00 C ATOM 1143 C ASP A 74 -2.360 9.824 -2.223 1.00 0.00 C ATOM 1144 O ASP A 74 -2.700 10.476 -3.191 1.00 0.00 O ATOM 1145 CB ASP A 74 -3.707 10.165 -0.145 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.176 10.030 0.257 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -6.025 10.263 -0.587 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -5.428 9.696 1.403 1.00 0.00 O ATOM 0 H ASP A 74 -2.831 7.876 0.291 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.311 8.990 -1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.064 9.952 0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.496 11.189 -0.455 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.097 9.622 -1.941 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.031 10.193 -2.814 1.00 0.00 C ATOM 1155 C GLU A 75 -0.070 9.491 -4.175 1.00 0.00 C ATOM 1156 O GLU A 75 0.255 10.072 -5.193 1.00 0.00 O ATOM 1157 CB GLU A 75 1.337 9.972 -2.163 1.00 0.00 C ATOM 1158 CG GLU A 75 1.624 11.108 -1.179 1.00 0.00 C ATOM 1159 CD GLU A 75 2.020 12.367 -1.952 1.00 0.00 C ATOM 1160 OE1 GLU A 75 1.135 13.003 -2.501 1.00 0.00 O ATOM 1161 OE2 GLU A 75 3.200 12.673 -1.984 1.00 0.00 O ATOM 0 H GLU A 75 -0.760 9.085 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.197 11.262 -2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.354 9.014 -1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.113 9.934 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.743 11.306 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.425 10.820 -0.498 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.469 8.245 -4.193 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.542 7.489 -5.477 1.00 0.00 C ATOM 1170 C PHE A 76 -1.743 7.965 -6.282 1.00 0.00 C ATOM 1171 O PHE A 76 -1.641 8.280 -7.453 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.719 6.001 -5.178 1.00 0.00 C ATOM 1173 CG PHE A 76 0.612 5.395 -4.835 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.540 5.140 -5.847 1.00 0.00 C ATOM 1175 CD2 PHE A 76 0.916 5.085 -3.507 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.780 4.572 -5.532 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.155 4.519 -3.188 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.088 4.261 -4.201 1.00 0.00 C ATOM 0 H PHE A 76 -0.749 7.716 -3.367 1.00 0.00 H new ATOM 0 HA PHE A 76 0.375 7.654 -6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.416 5.866 -4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.149 5.495 -6.042 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.301 5.381 -6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.195 5.282 -2.727 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.498 4.374 -6.314 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.392 4.281 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.044 3.823 -3.956 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.885 7.999 -5.657 1.00 0.00 N ATOM 1189 CA LEU A 77 -4.121 8.429 -6.358 1.00 0.00 C ATOM 1190 C LEU A 77 -4.085 9.942 -6.601 1.00 0.00 C ATOM 1191 O LEU A 77 -4.686 10.440 -7.535 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.335 8.076 -5.489 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.633 6.564 -5.535 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.801 6.089 -6.982 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.488 5.792 -4.876 1.00 0.00 C ATOM 0 H LEU A 77 -3.014 7.744 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.192 7.919 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.150 8.382 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.207 8.632 -5.834 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.561 6.379 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.011 5.019 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.628 6.625 -7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.884 6.284 -7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.702 4.724 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.559 5.993 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.386 6.108 -3.838 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.389 10.675 -5.769 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.316 12.155 -5.948 1.00 0.00 C ATOM 1209 C ALA A 78 -2.626 12.474 -7.279 1.00 0.00 C ATOM 1210 O ALA A 78 -3.273 12.797 -8.259 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.523 12.772 -4.792 1.00 0.00 C ATOM 0 H ALA A 78 -2.867 10.310 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.323 12.572 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.470 13.853 -4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.019 12.545 -3.848 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.515 12.358 -4.781 1.00 0.00 H new ATOM 1217 N THR A 79 -1.319 12.386 -7.322 1.00 0.00 N ATOM 1218 CA THR A 79 -0.582 12.683 -8.585 1.00 0.00 C ATOM 1219 C THR A 79 -0.113 11.373 -9.221 1.00 0.00 C ATOM 1220 O THR A 79 -0.505 11.033 -10.321 1.00 0.00 O ATOM 1221 CB THR A 79 0.631 13.563 -8.274 1.00 0.00 C ATOM 1222 OG1 THR A 79 0.218 14.677 -7.497 1.00 0.00 O ATOM 1223 CG2 THR A 79 1.257 14.053 -9.580 1.00 0.00 C ATOM 0 H THR A 79 -0.731 12.120 -6.532 1.00 0.00 H new ATOM 0 HA THR A 79 -1.242 13.207 -9.276 1.00 0.00 H new ATOM 0 HB THR A 79 1.367 12.984 -7.717 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.994 15.241 -7.295 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.121 14.680 -9.357 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.574 13.197 -10.175 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.523 14.633 -10.140 1.00 0.00 H new