USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 656 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 27 GLN : amide:sc= -0.75 K(o=-0.32,f=0.38) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 172:sc= 0.433 (180deg=0.383) USER MOD Single : A 17 ASN : amide:sc= -0.145 K(o=-0.14,f=-2.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -179:sc= 1.27 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -112:sc= -3.49! (180deg=-4.89!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -118:sc= 0.848 (180deg=-0.473) USER MOD Single : A 36 SER OG : rot 180:sc= -0.44 USER MOD Single : A 37 GLN : amide:sc= -5.04! C(o=-5!,f=-15!) USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0.199 (180deg=0.193) USER MOD Single : A 46 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.635 K(o=-0.63,f=-2.3) USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.14! C(o=-1.1!,f=-7.5!) USER MOD Single : A 63 SER OG : rot 35:sc= 0.494 USER MOD Single : A 66 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.18 X(o=-1.2,f=-1) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.13) USER MOD Single : A 84 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.57) USER MOD Single : A 85 HIS : no HD1:sc= -4.5! C(o=-4.5!,f=-5.3!) USER MOD Single : A 91 TYR OH : rot 50:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 180 N ILE A 16 5.263 5.400 -12.648 1.00 0.00 N ATOM 181 CA ILE A 16 4.452 5.585 -11.451 1.00 0.00 C ATOM 182 C ILE A 16 4.999 6.716 -10.586 1.00 0.00 C ATOM 183 O ILE A 16 6.187 6.749 -10.269 1.00 0.00 O ATOM 184 CB ILE A 16 4.388 4.296 -10.610 1.00 0.00 C ATOM 185 CG1 ILE A 16 3.746 3.166 -11.418 1.00 0.00 C ATOM 186 CG2 ILE A 16 3.613 4.541 -9.324 1.00 0.00 C ATOM 187 CD1 ILE A 16 3.872 1.808 -10.763 1.00 0.00 C ATOM 0 HA ILE A 16 3.447 5.841 -11.787 1.00 0.00 H new ATOM 0 HB ILE A 16 5.404 3.999 -10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.690 3.392 -11.568 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.207 3.129 -12.405 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.576 3.621 -8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.108 5.320 -8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.598 4.858 -9.565 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.395 1.056 -11.391 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.926 1.561 -10.638 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.386 1.828 -9.788 1.00 0.00 H new ATOM 199 N ASN A 17 4.122 7.640 -10.207 1.00 0.00 N ATOM 200 CA ASN A 17 4.517 8.773 -9.377 1.00 0.00 C ATOM 201 C ASN A 17 4.178 8.517 -7.911 1.00 0.00 C ATOM 202 O ASN A 17 3.020 8.617 -7.505 1.00 0.00 O ATOM 203 CB ASN A 17 3.823 10.049 -9.857 1.00 0.00 C ATOM 204 CG ASN A 17 4.651 11.292 -9.593 1.00 0.00 C ATOM 205 OD1 ASN A 17 5.860 11.210 -9.375 1.00 0.00 O ATOM 206 ND2 ASN A 17 4.002 12.450 -9.611 1.00 0.00 N ATOM 0 H ASN A 17 3.134 7.627 -10.461 1.00 0.00 H new ATOM 0 HA ASN A 17 5.596 8.899 -9.466 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.622 9.970 -10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.859 10.145 -9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.506 13.320 -9.440 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.999 12.470 -9.796 1.00 0.00 H new ATOM 213 N ILE A 18 5.196 8.188 -7.124 1.00 0.00 N ATOM 214 CA ILE A 18 5.007 7.920 -5.704 1.00 0.00 C ATOM 215 C ILE A 18 5.001 9.214 -4.896 1.00 0.00 C ATOM 216 O ILE A 18 5.886 10.057 -5.046 1.00 0.00 O ATOM 217 CB ILE A 18 6.106 6.991 -5.155 1.00 0.00 C ATOM 218 CG1 ILE A 18 6.288 5.781 -6.074 1.00 0.00 C ATOM 219 CG2 ILE A 18 5.763 6.542 -3.742 1.00 0.00 C ATOM 220 CD1 ILE A 18 5.071 4.886 -6.142 1.00 0.00 C ATOM 0 H ILE A 18 6.160 8.101 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 18 4.041 7.426 -5.602 1.00 0.00 H new ATOM 0 HB ILE A 18 7.045 7.544 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.529 6.130 -7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.140 5.196 -5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.549 5.886 -3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.679 7.414 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.815 6.004 -3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.272 4.049 -6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.842 4.507 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.221 5.456 -6.518 1.00 0.00 H new ATOM 232 N THR A 19 3.998 9.364 -4.037 1.00 0.00 N ATOM 233 CA THR A 19 3.876 10.554 -3.204 1.00 0.00 C ATOM 234 C THR A 19 3.705 10.182 -1.736 1.00 0.00 C ATOM 235 O THR A 19 3.251 9.085 -1.412 1.00 0.00 O ATOM 236 CB THR A 19 2.686 11.427 -3.643 1.00 0.00 C ATOM 237 OG1 THR A 19 1.482 10.652 -3.638 1.00 0.00 O ATOM 238 CG2 THR A 19 2.919 12.001 -5.032 1.00 0.00 C ATOM 0 H THR A 19 3.258 8.676 -3.900 1.00 0.00 H new ATOM 0 HA THR A 19 4.798 11.122 -3.327 1.00 0.00 H new ATOM 0 HB THR A 19 2.590 12.252 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.730 11.215 -3.917 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.065 12.614 -5.320 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.820 12.614 -5.026 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.039 11.187 -5.747 1.00 0.00 H new ATOM 246 N ALA A 20 4.070 11.104 -0.850 1.00 0.00 N ATOM 247 CA ALA A 20 3.954 10.874 0.584 1.00 0.00 C ATOM 248 C ALA A 20 2.593 10.285 0.937 1.00 0.00 C ATOM 249 O ALA A 20 2.478 9.464 1.846 1.00 0.00 O ATOM 250 CB ALA A 20 4.186 12.170 1.347 1.00 0.00 C ATOM 0 H ALA A 20 4.449 12.017 -1.101 1.00 0.00 H new ATOM 0 HA ALA A 20 4.718 10.153 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.096 11.983 2.417 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.184 12.548 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.444 12.908 1.044 1.00 0.00 H new ATOM 256 N ALA A 21 1.563 10.712 0.213 1.00 0.00 N ATOM 257 CA ALA A 21 0.209 10.226 0.450 1.00 0.00 C ATOM 258 C ALA A 21 0.181 8.704 0.546 1.00 0.00 C ATOM 259 O ALA A 21 -0.597 8.136 1.313 1.00 0.00 O ATOM 260 CB ALA A 21 -0.723 10.704 -0.654 1.00 0.00 C ATOM 0 H ALA A 21 1.641 11.393 -0.542 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.135 10.630 1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.731 10.334 -0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.734 11.794 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.372 10.327 -1.615 1.00 0.00 H new ATOM 266 N ILE A 22 1.033 8.051 -0.236 1.00 0.00 N ATOM 267 CA ILE A 22 1.106 6.595 -0.238 1.00 0.00 C ATOM 268 C ILE A 22 0.995 6.038 1.177 1.00 0.00 C ATOM 269 O ILE A 22 0.354 5.011 1.403 1.00 0.00 O ATOM 270 CB ILE A 22 2.418 6.097 -0.872 1.00 0.00 C ATOM 271 CG1 ILE A 22 2.360 4.584 -1.096 1.00 0.00 C ATOM 272 CG2 ILE A 22 3.604 6.463 0.008 1.00 0.00 C ATOM 273 CD1 ILE A 22 3.248 4.106 -2.222 1.00 0.00 C ATOM 0 H ILE A 22 1.683 8.507 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 22 0.266 6.238 -0.834 1.00 0.00 H new ATOM 0 HB ILE A 22 2.545 6.584 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.650 4.077 -0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.331 4.295 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.524 6.104 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.653 7.546 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.486 6.001 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.156 3.025 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.945 4.585 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.284 4.363 -2.002 1.00 0.00 H new ATOM 285 N TYR A 23 1.622 6.722 2.128 1.00 0.00 N ATOM 286 CA TYR A 23 1.594 6.296 3.522 1.00 0.00 C ATOM 287 C TYR A 23 0.169 6.304 4.066 1.00 0.00 C ATOM 288 O TYR A 23 -0.278 5.337 4.683 1.00 0.00 O ATOM 289 CB TYR A 23 2.483 7.204 4.373 1.00 0.00 C ATOM 290 CG TYR A 23 3.947 7.141 4.000 1.00 0.00 C ATOM 291 CD1 TYR A 23 4.654 5.948 4.080 1.00 0.00 C ATOM 292 CD2 TYR A 23 4.623 8.275 3.567 1.00 0.00 C ATOM 293 CE1 TYR A 23 5.991 5.886 3.741 1.00 0.00 C ATOM 294 CE2 TYR A 23 5.960 8.223 3.224 1.00 0.00 C ATOM 295 CZ TYR A 23 6.640 7.026 3.314 1.00 0.00 C ATOM 296 OH TYR A 23 7.972 6.968 2.974 1.00 0.00 O ATOM 0 H TYR A 23 2.156 7.574 1.958 1.00 0.00 H new ATOM 0 HA TYR A 23 1.976 5.276 3.571 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.136 8.233 4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.372 6.928 5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.149 5.053 4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.094 9.214 3.497 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.526 4.950 3.810 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.470 9.114 2.888 1.00 0.00 H new ATOM 0 HH TYR A 23 8.281 7.859 2.709 1.00 0.00 H new ATOM 306 N ASP A 24 -0.539 7.403 3.833 1.00 0.00 N ATOM 307 CA ASP A 24 -1.915 7.539 4.298 1.00 0.00 C ATOM 308 C ASP A 24 -2.791 6.423 3.738 1.00 0.00 C ATOM 309 O ASP A 24 -3.496 5.742 4.482 1.00 0.00 O ATOM 310 CB ASP A 24 -2.481 8.901 3.891 1.00 0.00 C ATOM 311 CG ASP A 24 -2.161 9.986 4.900 1.00 0.00 C ATOM 312 OD1 ASP A 24 -1.127 9.868 5.589 1.00 0.00 O ATOM 313 OD2 ASP A 24 -2.946 10.952 5.001 1.00 0.00 O ATOM 0 H ASP A 24 -0.183 8.213 3.325 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.914 7.464 5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.077 9.183 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.562 8.822 3.777 1.00 0.00 H new ATOM 318 N GLU A 25 -2.740 6.241 2.422 1.00 0.00 N ATOM 319 CA GLU A 25 -3.531 5.208 1.763 1.00 0.00 C ATOM 320 C GLU A 25 -3.332 3.856 2.441 1.00 0.00 C ATOM 321 O GLU A 25 -4.271 3.070 2.569 1.00 0.00 O ATOM 322 CB GLU A 25 -3.152 5.111 0.284 1.00 0.00 C ATOM 323 CG GLU A 25 -3.237 6.436 -0.455 1.00 0.00 C ATOM 324 CD GLU A 25 -3.572 6.264 -1.924 1.00 0.00 C ATOM 325 OE1 GLU A 25 -2.637 6.052 -2.725 1.00 0.00 O ATOM 326 OE2 GLU A 25 -4.768 6.342 -2.272 1.00 0.00 O ATOM 0 H GLU A 25 -2.160 6.795 1.792 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.582 5.484 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.136 4.724 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.808 4.390 -0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.995 7.062 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.286 6.961 -0.362 1.00 0.00 H new ATOM 333 N ILE A 26 -2.103 3.592 2.872 1.00 0.00 N ATOM 334 CA ILE A 26 -1.780 2.335 3.536 1.00 0.00 C ATOM 335 C ILE A 26 -2.478 2.234 4.889 1.00 0.00 C ATOM 336 O ILE A 26 -2.932 1.161 5.284 1.00 0.00 O ATOM 337 CB ILE A 26 -0.262 2.181 3.742 1.00 0.00 C ATOM 338 CG1 ILE A 26 0.451 2.095 2.391 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.036 0.949 4.584 1.00 0.00 C ATOM 340 CD1 ILE A 26 1.881 2.588 2.430 1.00 0.00 C ATOM 0 H ILE A 26 -1.315 4.232 2.773 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.133 1.534 2.886 1.00 0.00 H new ATOM 0 HB ILE A 26 0.109 3.058 4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.441 1.060 2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.106 2.678 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.113 0.854 4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.446 1.048 5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.345 0.062 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.324 2.498 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.897 3.633 2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.453 1.989 3.139 1.00 0.00 H new ATOM 352 N GLN A 27 -2.561 3.359 5.591 1.00 0.00 N ATOM 353 CA GLN A 27 -3.205 3.396 6.899 1.00 0.00 C ATOM 354 C GLN A 27 -4.685 3.048 6.787 1.00 0.00 C ATOM 355 O GLN A 27 -5.188 2.197 7.520 1.00 0.00 O ATOM 356 CB GLN A 27 -3.041 4.779 7.532 1.00 0.00 C ATOM 357 CG GLN A 27 -1.591 5.182 7.748 1.00 0.00 C ATOM 358 CD GLN A 27 -1.443 6.332 8.724 1.00 0.00 C ATOM 359 OE1 GLN A 27 -1.257 6.124 9.923 1.00 0.00 O ATOM 360 NE2 GLN A 27 -1.525 7.556 8.214 1.00 0.00 N ATOM 0 H GLN A 27 -2.191 4.256 5.277 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.723 2.653 7.535 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.524 5.520 6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.560 4.795 8.490 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.031 4.323 8.117 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.150 5.463 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.680 7.682 7.214 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.433 8.369 8.823 1.00 0.00 H new ATOM 369 N GLN A 28 -5.376 3.711 5.866 1.00 0.00 N ATOM 370 CA GLN A 28 -6.800 3.471 5.660 1.00 0.00 C ATOM 371 C GLN A 28 -7.039 2.082 5.078 1.00 0.00 C ATOM 372 O GLN A 28 -7.858 1.318 5.588 1.00 0.00 O ATOM 373 CB GLN A 28 -7.388 4.535 4.731 1.00 0.00 C ATOM 374 CG GLN A 28 -7.277 5.949 5.278 1.00 0.00 C ATOM 375 CD GLN A 28 -8.047 6.957 4.448 1.00 0.00 C ATOM 376 OE1 GLN A 28 -9.169 7.332 4.789 1.00 0.00 O ATOM 377 NE2 GLN A 28 -7.446 7.403 3.351 1.00 0.00 N ATOM 0 H GLN A 28 -4.974 4.418 5.251 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.297 3.529 6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.879 4.486 3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.438 4.306 4.549 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.648 5.968 6.303 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.227 6.239 5.314 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.515 7.065 3.106 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.915 8.084 2.753 1.00 0.00 H new ATOM 386 N GLU A 29 -6.319 1.762 4.007 1.00 0.00 N ATOM 387 CA GLU A 29 -6.454 0.465 3.356 1.00 0.00 C ATOM 388 C GLU A 29 -6.555 -0.654 4.388 1.00 0.00 C ATOM 389 O GLU A 29 -7.351 -1.581 4.238 1.00 0.00 O ATOM 390 CB GLU A 29 -5.267 0.210 2.425 1.00 0.00 C ATOM 391 CG GLU A 29 -5.441 -1.010 1.537 1.00 0.00 C ATOM 392 CD GLU A 29 -6.765 -1.009 0.797 1.00 0.00 C ATOM 393 OE1 GLU A 29 -7.154 0.058 0.278 1.00 0.00 O ATOM 394 OE2 GLU A 29 -7.411 -2.076 0.737 1.00 0.00 O ATOM 0 H GLU A 29 -5.637 2.383 3.572 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.371 0.477 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.114 1.087 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.365 0.087 3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.625 -1.048 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.370 -1.911 2.146 1.00 0.00 H new ATOM 401 N MET A 30 -5.742 -0.561 5.435 1.00 0.00 N ATOM 402 CA MET A 30 -5.740 -1.565 6.493 1.00 0.00 C ATOM 403 C MET A 30 -7.092 -1.615 7.197 1.00 0.00 C ATOM 404 O MET A 30 -7.692 -2.681 7.337 1.00 0.00 O ATOM 405 CB MET A 30 -4.634 -1.266 7.507 1.00 0.00 C ATOM 406 CG MET A 30 -3.308 -1.931 7.174 1.00 0.00 C ATOM 407 SD MET A 30 -2.012 -1.528 8.361 1.00 0.00 S ATOM 408 CE MET A 30 -1.517 0.094 7.784 1.00 0.00 C ATOM 0 H MET A 30 -5.076 0.199 5.574 1.00 0.00 H new ATOM 0 HA MET A 30 -5.552 -2.537 6.037 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.486 -0.188 7.564 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.959 -1.595 8.494 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.445 -3.012 7.145 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.991 -1.623 6.178 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.507 0.043 7.377 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.205 0.429 7.008 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.538 0.798 8.616 1.00 0.00 H new ATOM 418 N LYS A 31 -7.566 -0.456 7.641 1.00 0.00 N ATOM 419 CA LYS A 31 -8.848 -0.367 8.330 1.00 0.00 C ATOM 420 C LYS A 31 -9.998 -0.705 7.387 1.00 0.00 C ATOM 421 O LYS A 31 -11.065 -1.138 7.824 1.00 0.00 O ATOM 422 CB LYS A 31 -9.044 1.037 8.907 1.00 0.00 C ATOM 423 CG LYS A 31 -9.767 1.986 7.967 1.00 0.00 C ATOM 424 CD LYS A 31 -11.273 1.921 8.160 1.00 0.00 C ATOM 425 CE LYS A 31 -11.747 2.934 9.190 1.00 0.00 C ATOM 426 NZ LYS A 31 -12.075 4.247 8.568 1.00 0.00 N ATOM 0 H LYS A 31 -7.081 0.435 7.536 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.845 -1.091 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.606 0.963 9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.070 1.458 9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.421 3.005 8.140 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.520 1.736 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.771 2.108 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.557 0.918 8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.627 2.546 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.973 3.073 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.394 4.910 9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.229 4.630 8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.831 4.119 7.866 1.00 0.00 H new ATOM 440 N ARG A 32 -9.774 -0.506 6.092 1.00 0.00 N ATOM 441 CA ARG A 32 -10.791 -0.790 5.088 1.00 0.00 C ATOM 442 C ARG A 32 -10.812 -2.275 4.740 1.00 0.00 C ATOM 443 O ARG A 32 -11.873 -2.853 4.505 1.00 0.00 O ATOM 444 CB ARG A 32 -10.537 0.037 3.826 1.00 0.00 C ATOM 445 CG ARG A 32 -11.806 0.410 3.076 1.00 0.00 C ATOM 446 CD ARG A 32 -12.371 1.736 3.562 1.00 0.00 C ATOM 447 NE ARG A 32 -13.263 2.343 2.578 1.00 0.00 N ATOM 448 CZ ARG A 32 -13.536 3.643 2.538 1.00 0.00 C ATOM 449 NH1 ARG A 32 -12.989 4.466 3.422 1.00 0.00 N ATOM 450 NH2 ARG A 32 -14.358 4.121 1.612 1.00 0.00 N ATOM 0 H ARG A 32 -8.897 -0.149 5.714 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.761 -0.518 5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.006 0.949 4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.883 -0.525 3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.594 0.473 2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.551 -0.374 3.207 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.913 1.579 4.495 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.552 2.421 3.780 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.700 1.737 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.357 4.102 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.200 5.463 3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.781 3.490 0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.567 5.119 1.582 1.00 0.00 H new ATOM 464 N ALA A 33 -9.633 -2.887 4.709 1.00 0.00 N ATOM 465 CA ALA A 33 -9.516 -4.305 4.392 1.00 0.00 C ATOM 466 C ALA A 33 -9.572 -5.157 5.655 1.00 0.00 C ATOM 467 O ALA A 33 -9.704 -6.379 5.588 1.00 0.00 O ATOM 468 CB ALA A 33 -8.226 -4.571 3.630 1.00 0.00 C ATOM 0 H ALA A 33 -8.745 -2.423 4.900 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.361 -4.582 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.152 -5.634 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.226 -3.998 2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.374 -4.272 4.241 1.00 0.00 H new ATOM 474 N LYS A 34 -9.470 -4.504 6.808 1.00 0.00 N ATOM 475 CA LYS A 34 -9.509 -5.201 8.089 1.00 0.00 C ATOM 476 C LYS A 34 -8.249 -6.034 8.293 1.00 0.00 C ATOM 477 O LYS A 34 -8.316 -7.182 8.733 1.00 0.00 O ATOM 478 CB LYS A 34 -10.746 -6.099 8.166 1.00 0.00 C ATOM 479 CG LYS A 34 -11.979 -5.493 7.519 1.00 0.00 C ATOM 480 CD LYS A 34 -12.733 -4.597 8.487 1.00 0.00 C ATOM 481 CE LYS A 34 -11.805 -3.597 9.159 1.00 0.00 C ATOM 482 NZ LYS A 34 -12.550 -2.431 9.710 1.00 0.00 N ATOM 0 H LYS A 34 -9.360 -3.493 6.882 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.561 -4.453 8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.524 -7.051 7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.964 -6.314 9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.685 -4.916 6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.637 -6.289 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.519 -4.063 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.221 -5.209 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.259 -4.092 9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.065 -3.248 8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.233 -1.561 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.569 -2.562 9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.369 -2.355 10.731 1.00 0.00 H new ATOM 496 N VAL A 35 -7.099 -5.449 7.972 1.00 0.00 N ATOM 497 CA VAL A 35 -5.823 -6.138 8.124 1.00 0.00 C ATOM 498 C VAL A 35 -4.856 -5.323 8.976 1.00 0.00 C ATOM 499 O VAL A 35 -5.174 -4.213 9.403 1.00 0.00 O ATOM 500 CB VAL A 35 -5.171 -6.420 6.757 1.00 0.00 C ATOM 501 CG1 VAL A 35 -6.151 -7.129 5.835 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.674 -5.127 6.127 1.00 0.00 C ATOM 0 H VAL A 35 -7.025 -4.500 7.605 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.032 -7.085 8.621 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.314 -7.075 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.673 -7.320 4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.454 -8.075 6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.029 -6.501 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.216 -5.345 5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.513 -4.445 5.985 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.936 -4.663 6.782 1.00 0.00 H new ATOM 512 N SER A 36 -3.675 -5.881 9.219 1.00 0.00 N ATOM 513 CA SER A 36 -2.662 -5.207 10.024 1.00 0.00 C ATOM 514 C SER A 36 -1.477 -4.783 9.162 1.00 0.00 C ATOM 515 O SER A 36 -1.337 -5.224 8.022 1.00 0.00 O ATOM 516 CB SER A 36 -2.185 -6.123 11.153 1.00 0.00 C ATOM 517 OG SER A 36 -0.881 -5.769 11.580 1.00 0.00 O ATOM 0 H SER A 36 -3.395 -6.798 8.870 1.00 0.00 H new ATOM 0 HA SER A 36 -3.112 -4.313 10.457 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.876 -6.060 11.994 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.191 -7.158 10.813 1.00 0.00 H new ATOM 0 HG SER A 36 -0.600 -6.368 12.303 1.00 0.00 H new ATOM 523 N GLN A 37 -0.628 -3.924 9.716 1.00 0.00 N ATOM 524 CA GLN A 37 0.545 -3.440 8.998 1.00 0.00 C ATOM 525 C GLN A 37 1.388 -4.602 8.485 1.00 0.00 C ATOM 526 O GLN A 37 2.013 -4.510 7.429 1.00 0.00 O ATOM 527 CB GLN A 37 1.390 -2.543 9.905 1.00 0.00 C ATOM 528 CG GLN A 37 0.579 -1.807 10.959 1.00 0.00 C ATOM 529 CD GLN A 37 1.172 -0.458 11.314 1.00 0.00 C ATOM 530 OE1 GLN A 37 1.988 0.090 10.572 1.00 0.00 O ATOM 531 NE2 GLN A 37 0.764 0.087 12.454 1.00 0.00 N ATOM 0 H GLN A 37 -0.730 -3.549 10.659 1.00 0.00 H new ATOM 0 HA GLN A 37 0.201 -2.859 8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.147 -3.151 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.919 -1.814 9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.440 -1.668 10.597 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.517 -2.420 11.858 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.086 -0.402 13.039 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.128 0.994 12.745 1.00 0.00 H new ATOM 540 N ALA A 38 1.401 -5.696 9.240 1.00 0.00 N ATOM 541 CA ALA A 38 2.166 -6.877 8.860 1.00 0.00 C ATOM 542 C ALA A 38 1.568 -7.546 7.627 1.00 0.00 C ATOM 543 O ALA A 38 2.286 -7.902 6.691 1.00 0.00 O ATOM 544 CB ALA A 38 2.227 -7.862 10.019 1.00 0.00 C ATOM 0 H ALA A 38 0.890 -5.789 10.118 1.00 0.00 H new ATOM 0 HA ALA A 38 3.179 -6.559 8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.801 -8.739 9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.707 -7.387 10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.216 -8.166 10.292 1.00 0.00 H new ATOM 550 N LEU A 39 0.250 -7.714 7.631 1.00 0.00 N ATOM 551 CA LEU A 39 -0.445 -8.340 6.512 1.00 0.00 C ATOM 552 C LEU A 39 -0.320 -7.493 5.250 1.00 0.00 C ATOM 553 O LEU A 39 0.267 -7.923 4.257 1.00 0.00 O ATOM 554 CB LEU A 39 -1.921 -8.549 6.856 1.00 0.00 C ATOM 555 CG LEU A 39 -2.719 -9.419 5.884 1.00 0.00 C ATOM 556 CD1 LEU A 39 -3.113 -8.620 4.652 1.00 0.00 C ATOM 557 CD2 LEU A 39 -1.918 -10.652 5.490 1.00 0.00 C ATOM 0 H LEU A 39 -0.359 -7.425 8.397 1.00 0.00 H new ATOM 0 HA LEU A 39 0.019 -9.308 6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.983 -8.997 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.401 -7.572 6.917 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.630 -9.747 6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.680 -9.256 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.727 -7.770 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.215 -8.261 4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.502 -11.259 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.990 -10.344 5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.688 -11.237 6.381 1.00 0.00 H new ATOM 569 N PHE A 40 -0.873 -6.286 5.297 1.00 0.00 N ATOM 570 CA PHE A 40 -0.823 -5.377 4.158 1.00 0.00 C ATOM 571 C PHE A 40 0.591 -5.297 3.588 1.00 0.00 C ATOM 572 O PHE A 40 0.780 -5.258 2.372 1.00 0.00 O ATOM 573 CB PHE A 40 -1.298 -3.982 4.569 1.00 0.00 C ATOM 574 CG PHE A 40 -1.054 -2.932 3.523 1.00 0.00 C ATOM 575 CD1 PHE A 40 0.235 -2.525 3.219 1.00 0.00 C ATOM 576 CD2 PHE A 40 -2.113 -2.354 2.843 1.00 0.00 C ATOM 577 CE1 PHE A 40 0.463 -1.559 2.257 1.00 0.00 C ATOM 578 CE2 PHE A 40 -1.892 -1.387 1.880 1.00 0.00 C ATOM 579 CZ PHE A 40 -0.602 -0.990 1.586 1.00 0.00 C ATOM 0 H PHE A 40 -1.361 -5.914 6.112 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.487 -5.766 3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -2.364 -4.021 4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.791 -3.691 5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.071 -2.968 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.123 -2.662 3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 40 1.473 -1.249 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.727 -0.943 1.358 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.426 -0.236 0.833 1.00 0.00 H new ATOM 589 N ALA A 41 1.580 -5.274 4.475 1.00 0.00 N ATOM 590 CA ALA A 41 2.975 -5.200 4.062 1.00 0.00 C ATOM 591 C ALA A 41 3.478 -6.558 3.583 1.00 0.00 C ATOM 592 O ALA A 41 4.464 -6.644 2.850 1.00 0.00 O ATOM 593 CB ALA A 41 3.839 -4.689 5.206 1.00 0.00 C ATOM 0 H ALA A 41 1.440 -5.306 5.485 1.00 0.00 H new ATOM 0 HA ALA A 41 3.045 -4.501 3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.879 -4.639 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.502 -3.695 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.756 -5.367 6.056 1.00 0.00 H new ATOM 599 N LYS A 42 2.795 -7.618 4.002 1.00 0.00 N ATOM 600 CA LYS A 42 3.171 -8.973 3.616 1.00 0.00 C ATOM 601 C LYS A 42 2.580 -9.335 2.257 1.00 0.00 C ATOM 602 O LYS A 42 3.113 -10.186 1.544 1.00 0.00 O ATOM 603 CB LYS A 42 2.702 -9.975 4.672 1.00 0.00 C ATOM 604 CG LYS A 42 3.172 -11.396 4.414 1.00 0.00 C ATOM 605 CD LYS A 42 2.197 -12.154 3.529 1.00 0.00 C ATOM 606 CE LYS A 42 2.895 -13.259 2.750 1.00 0.00 C ATOM 607 NZ LYS A 42 3.290 -14.393 3.631 1.00 0.00 N ATOM 0 H LYS A 42 1.977 -7.565 4.610 1.00 0.00 H new ATOM 0 HA LYS A 42 4.258 -9.015 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.061 -9.654 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.613 -9.963 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.154 -11.375 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.287 -11.920 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.406 -12.584 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.721 -11.462 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.233 -13.623 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.780 -12.854 2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.822 -15.094 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.887 -14.039 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.438 -14.839 4.026 1.00 0.00 H new ATOM 621 N VAL A 43 1.476 -8.684 1.904 1.00 0.00 N ATOM 622 CA VAL A 43 0.814 -8.936 0.630 1.00 0.00 C ATOM 623 C VAL A 43 1.127 -7.837 -0.379 1.00 0.00 C ATOM 624 O VAL A 43 0.954 -8.019 -1.584 1.00 0.00 O ATOM 625 CB VAL A 43 -0.713 -9.040 0.802 1.00 0.00 C ATOM 626 CG1 VAL A 43 -1.069 -10.203 1.715 1.00 0.00 C ATOM 627 CG2 VAL A 43 -1.278 -7.735 1.342 1.00 0.00 C ATOM 0 H VAL A 43 1.021 -7.978 2.483 1.00 0.00 H new ATOM 0 HA VAL A 43 1.196 -9.887 0.258 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.160 -9.226 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.152 -10.261 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.698 -11.132 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.613 -10.051 2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.358 -7.826 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.827 -7.516 2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.054 -6.926 0.646 1.00 0.00 H new ATOM 637 N ALA A 44 1.590 -6.696 0.122 1.00 0.00 N ATOM 638 CA ALA A 44 1.929 -5.567 -0.736 1.00 0.00 C ATOM 639 C ALA A 44 3.394 -5.619 -1.157 1.00 0.00 C ATOM 640 O ALA A 44 3.706 -5.777 -2.337 1.00 0.00 O ATOM 641 CB ALA A 44 1.628 -4.256 -0.027 1.00 0.00 C ATOM 0 H ALA A 44 1.739 -6.529 1.117 1.00 0.00 H new ATOM 0 HA ALA A 44 1.317 -5.629 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.886 -3.422 -0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.567 -4.210 0.218 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.215 -4.195 0.889 1.00 0.00 H new ATOM 647 N ALA A 45 4.290 -5.485 -0.184 1.00 0.00 N ATOM 648 CA ALA A 45 5.722 -5.519 -0.454 1.00 0.00 C ATOM 649 C ALA A 45 6.335 -6.839 -0.001 1.00 0.00 C ATOM 650 O ALA A 45 7.495 -7.128 -0.293 1.00 0.00 O ATOM 651 CB ALA A 45 6.415 -4.350 0.232 1.00 0.00 C ATOM 0 H ALA A 45 4.049 -5.352 0.798 1.00 0.00 H new ATOM 0 HA ALA A 45 5.866 -5.433 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.484 -4.387 0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.004 -3.413 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.254 -4.412 1.308 1.00 0.00 H new ATOM 657 N ASN A 46 5.549 -7.637 0.714 1.00 0.00 N ATOM 658 CA ASN A 46 6.016 -8.928 1.208 1.00 0.00 C ATOM 659 C ASN A 46 7.104 -8.745 2.262 1.00 0.00 C ATOM 660 O ASN A 46 7.976 -9.599 2.425 1.00 0.00 O ATOM 661 CB ASN A 46 6.548 -9.777 0.052 1.00 0.00 C ATOM 662 CG ASN A 46 6.614 -11.252 0.401 1.00 0.00 C ATOM 663 OD1 ASN A 46 5.610 -11.858 0.776 1.00 0.00 O ATOM 664 ND2 ASN A 46 7.800 -11.836 0.278 1.00 0.00 N ATOM 0 H ASN A 46 4.586 -7.413 0.964 1.00 0.00 H new ATOM 0 HA ASN A 46 5.171 -9.441 1.668 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.908 -9.641 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.542 -9.427 -0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.906 -12.826 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.605 -11.294 -0.036 1.00 0.00 H new ATOM 671 N LYS A 47 7.045 -7.627 2.977 1.00 0.00 N ATOM 672 CA LYS A 47 8.023 -7.331 4.018 1.00 0.00 C ATOM 673 C LYS A 47 7.450 -7.624 5.401 1.00 0.00 C ATOM 674 O LYS A 47 6.313 -8.079 5.529 1.00 0.00 O ATOM 675 CB LYS A 47 8.460 -5.867 3.934 1.00 0.00 C ATOM 676 CG LYS A 47 9.613 -5.631 2.974 1.00 0.00 C ATOM 677 CD LYS A 47 10.957 -5.795 3.664 1.00 0.00 C ATOM 678 CE LYS A 47 12.018 -4.902 3.040 1.00 0.00 C ATOM 679 NZ LYS A 47 13.337 -5.053 3.714 1.00 0.00 N ATOM 0 H LYS A 47 6.330 -6.910 2.855 1.00 0.00 H new ATOM 0 HA LYS A 47 8.891 -7.972 3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.610 -5.260 3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.750 -5.525 4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.543 -6.331 2.141 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.539 -4.628 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.855 -5.555 4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.274 -6.836 3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.121 -5.145 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.697 -3.862 3.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.033 -4.428 3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.245 -4.797 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.656 -6.040 3.636 1.00 0.00 H new ATOM 693 N SER A 48 8.244 -7.358 6.433 1.00 0.00 N ATOM 694 CA SER A 48 7.816 -7.595 7.807 1.00 0.00 C ATOM 695 C SER A 48 7.191 -6.338 8.406 1.00 0.00 C ATOM 696 O SER A 48 7.629 -5.222 8.127 1.00 0.00 O ATOM 697 CB SER A 48 9.002 -8.046 8.662 1.00 0.00 C ATOM 698 OG SER A 48 9.301 -9.412 8.438 1.00 0.00 O ATOM 0 H SER A 48 9.187 -6.978 6.344 1.00 0.00 H new ATOM 0 HA SER A 48 7.064 -8.384 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.875 -7.436 8.429 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.775 -7.888 9.716 1.00 0.00 H new ATOM 0 HG SER A 48 10.063 -9.676 8.995 1.00 0.00 H new ATOM 704 N GLN A 49 6.166 -6.529 9.229 1.00 0.00 N ATOM 705 CA GLN A 49 5.480 -5.412 9.867 1.00 0.00 C ATOM 706 C GLN A 49 6.454 -4.280 10.176 1.00 0.00 C ATOM 707 O GLN A 49 6.266 -3.147 9.734 1.00 0.00 O ATOM 708 CB GLN A 49 4.794 -5.874 11.154 1.00 0.00 C ATOM 709 CG GLN A 49 3.607 -5.012 11.554 1.00 0.00 C ATOM 710 CD GLN A 49 2.871 -5.557 12.762 1.00 0.00 C ATOM 711 OE1 GLN A 49 3.028 -6.723 13.125 1.00 0.00 O ATOM 712 NE2 GLN A 49 2.062 -4.714 13.393 1.00 0.00 N ATOM 0 H GLN A 49 5.792 -7.447 9.470 1.00 0.00 H new ATOM 0 HA GLN A 49 4.725 -5.040 9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.459 -6.903 11.028 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.523 -5.873 11.965 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.953 -4.001 11.770 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.916 -4.940 10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.962 -3.756 13.058 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.541 -5.025 14.213 1.00 0.00 H new ATOM 721 N GLY A 50 7.498 -4.594 10.938 1.00 0.00 N ATOM 722 CA GLY A 50 8.486 -3.593 11.293 1.00 0.00 C ATOM 723 C GLY A 50 8.816 -2.669 10.137 1.00 0.00 C ATOM 724 O GLY A 50 8.907 -1.454 10.312 1.00 0.00 O ATOM 0 H GLY A 50 7.677 -5.525 11.316 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.116 -3.003 12.132 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.397 -4.089 11.629 1.00 0.00 H new ATOM 728 N TRP A 51 8.998 -3.246 8.955 1.00 0.00 N ATOM 729 CA TRP A 51 9.322 -2.465 7.766 1.00 0.00 C ATOM 730 C TRP A 51 8.177 -1.528 7.401 1.00 0.00 C ATOM 731 O TRP A 51 8.400 -0.423 6.905 1.00 0.00 O ATOM 732 CB TRP A 51 9.631 -3.394 6.590 1.00 0.00 C ATOM 733 CG TRP A 51 9.988 -2.661 5.333 1.00 0.00 C ATOM 734 CD1 TRP A 51 11.244 -2.376 4.878 1.00 0.00 C ATOM 735 CD2 TRP A 51 9.078 -2.118 4.370 1.00 0.00 C ATOM 736 NE1 TRP A 51 11.170 -1.689 3.690 1.00 0.00 N ATOM 737 CE2 TRP A 51 9.852 -1.519 3.357 1.00 0.00 C ATOM 738 CE3 TRP A 51 7.685 -2.081 4.264 1.00 0.00 C ATOM 739 CZ2 TRP A 51 9.278 -0.890 2.255 1.00 0.00 C ATOM 740 CZ3 TRP A 51 7.117 -1.457 3.170 1.00 0.00 C ATOM 741 CH2 TRP A 51 7.912 -0.869 2.177 1.00 0.00 C ATOM 0 H TRP A 51 8.927 -4.251 8.794 1.00 0.00 H new ATOM 0 HA TRP A 51 10.203 -1.862 7.987 1.00 0.00 H new ATOM 0 HB2 TRP A 51 10.454 -4.054 6.864 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.765 -4.028 6.399 1.00 0.00 H new ATOM 0 HD1 TRP A 51 12.161 -2.650 5.378 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.967 -1.359 3.145 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.064 -2.532 5.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.889 -0.435 1.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.041 -1.422 3.079 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.437 -0.390 1.334 1.00 0.00 H new ATOM 752 N LEU A 52 6.950 -1.974 7.650 1.00 0.00 N ATOM 753 CA LEU A 52 5.769 -1.173 7.348 1.00 0.00 C ATOM 754 C LEU A 52 5.526 -0.129 8.433 1.00 0.00 C ATOM 755 O LEU A 52 5.471 1.069 8.155 1.00 0.00 O ATOM 756 CB LEU A 52 4.541 -2.074 7.207 1.00 0.00 C ATOM 757 CG LEU A 52 3.292 -1.419 6.615 1.00 0.00 C ATOM 758 CD1 LEU A 52 2.808 -0.288 7.509 1.00 0.00 C ATOM 759 CD2 LEU A 52 3.574 -0.907 5.210 1.00 0.00 C ATOM 0 H LEU A 52 6.748 -2.886 8.060 1.00 0.00 H new ATOM 0 HA LEU A 52 5.943 -0.655 6.405 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.810 -2.926 6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.289 -2.467 8.192 1.00 0.00 H new ATOM 0 HG LEU A 52 2.504 -2.170 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.919 0.166 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.566 -0.682 8.496 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.592 0.464 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.675 -0.444 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.377 -0.171 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.873 -1.739 4.573 1.00 0.00 H new ATOM 771 N CYS A 53 5.383 -0.592 9.670 1.00 0.00 N ATOM 772 CA CYS A 53 5.148 0.302 10.799 1.00 0.00 C ATOM 773 C CYS A 53 6.020 1.549 10.695 1.00 0.00 C ATOM 774 O CYS A 53 5.527 2.672 10.795 1.00 0.00 O ATOM 775 CB CYS A 53 5.427 -0.422 12.117 1.00 0.00 C ATOM 776 SG CYS A 53 4.534 0.255 13.535 1.00 0.00 S ATOM 0 H CYS A 53 5.426 -1.581 9.917 1.00 0.00 H new ATOM 0 HA CYS A 53 4.102 0.609 10.776 1.00 0.00 H new ATOM 0 HB2 CYS A 53 5.164 -1.474 12.004 1.00 0.00 H new ATOM 0 HB3 CYS A 53 6.497 -0.381 12.322 1.00 0.00 H new ATOM 0 HG CYS A 53 4.834 -0.425 14.602 1.00 0.00 H new ATOM 782 N GLU A 54 7.318 1.343 10.497 1.00 0.00 N ATOM 783 CA GLU A 54 8.258 2.451 10.382 1.00 0.00 C ATOM 784 C GLU A 54 7.791 3.455 9.332 1.00 0.00 C ATOM 785 O GLU A 54 7.655 4.646 9.612 1.00 0.00 O ATOM 786 CB GLU A 54 9.652 1.932 10.024 1.00 0.00 C ATOM 787 CG GLU A 54 10.280 1.073 11.109 1.00 0.00 C ATOM 788 CD GLU A 54 11.453 0.258 10.602 1.00 0.00 C ATOM 789 OE1 GLU A 54 12.584 0.787 10.590 1.00 0.00 O ATOM 790 OE2 GLU A 54 11.240 -0.911 10.217 1.00 0.00 O ATOM 0 H GLU A 54 7.742 0.419 10.413 1.00 0.00 H new ATOM 0 HA GLU A 54 8.304 2.956 11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.589 1.351 9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.305 2.781 9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.613 1.713 11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.525 0.401 11.518 1.00 0.00 H new ATOM 797 N LEU A 55 7.549 2.965 8.121 1.00 0.00 N ATOM 798 CA LEU A 55 7.097 3.818 7.027 1.00 0.00 C ATOM 799 C LEU A 55 6.032 4.799 7.505 1.00 0.00 C ATOM 800 O LEU A 55 6.072 5.985 7.174 1.00 0.00 O ATOM 801 CB LEU A 55 6.545 2.964 5.884 1.00 0.00 C ATOM 802 CG LEU A 55 7.553 2.537 4.817 1.00 0.00 C ATOM 803 CD1 LEU A 55 8.904 2.238 5.449 1.00 0.00 C ATOM 804 CD2 LEU A 55 7.040 1.325 4.053 1.00 0.00 C ATOM 0 H LEU A 55 7.658 1.982 7.872 1.00 0.00 H new ATOM 0 HA LEU A 55 7.953 4.388 6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.097 2.067 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.744 3.519 5.397 1.00 0.00 H new ATOM 0 HG LEU A 55 7.678 3.359 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.609 1.936 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.277 3.131 5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.796 1.433 6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.770 1.035 3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.886 0.497 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.096 1.573 3.568 1.00 0.00 H new ATOM 816 N LEU A 56 5.083 4.299 8.287 1.00 0.00 N ATOM 817 CA LEU A 56 4.007 5.132 8.814 1.00 0.00 C ATOM 818 C LEU A 56 4.511 6.020 9.947 1.00 0.00 C ATOM 819 O LEU A 56 3.937 7.072 10.227 1.00 0.00 O ATOM 820 CB LEU A 56 2.854 4.257 9.311 1.00 0.00 C ATOM 821 CG LEU A 56 2.480 3.071 8.421 1.00 0.00 C ATOM 822 CD1 LEU A 56 1.297 2.316 9.008 1.00 0.00 C ATOM 823 CD2 LEU A 56 2.168 3.541 7.008 1.00 0.00 C ATOM 0 H LEU A 56 5.036 3.320 8.571 1.00 0.00 H new ATOM 0 HA LEU A 56 3.648 5.772 8.008 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.113 3.877 10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.973 4.887 9.432 1.00 0.00 H new ATOM 0 HG LEU A 56 3.332 2.392 8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.045 1.475 8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.557 1.946 10.000 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.440 2.985 9.084 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.904 2.683 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.333 4.241 7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.043 4.036 6.588 1.00 0.00 H new ATOM 835 N ARG A 57 5.590 5.590 10.594 1.00 0.00 N ATOM 836 CA ARG A 57 6.172 6.347 11.696 1.00 0.00 C ATOM 837 C ARG A 57 6.998 7.518 11.174 1.00 0.00 C ATOM 838 O ARG A 57 6.714 8.676 11.481 1.00 0.00 O ATOM 839 CB ARG A 57 7.047 5.437 12.561 1.00 0.00 C ATOM 840 CG ARG A 57 7.920 6.193 13.549 1.00 0.00 C ATOM 841 CD ARG A 57 8.817 5.249 14.335 1.00 0.00 C ATOM 842 NE ARG A 57 9.111 5.760 15.671 1.00 0.00 N ATOM 843 CZ ARG A 57 10.184 5.411 16.372 1.00 0.00 C ATOM 844 NH1 ARG A 57 11.061 4.555 15.865 1.00 0.00 N ATOM 845 NH2 ARG A 57 10.382 5.918 17.582 1.00 0.00 N ATOM 0 H ARG A 57 6.078 4.722 10.374 1.00 0.00 H new ATOM 0 HA ARG A 57 5.358 6.742 12.304 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.407 4.746 13.109 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.684 4.836 11.912 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.533 6.918 13.014 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.289 6.755 14.238 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.335 4.275 14.417 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.750 5.098 13.791 1.00 0.00 H new ATOM 0 HE ARG A 57 8.456 6.421 16.089 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.912 4.163 14.935 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.884 4.288 16.405 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.710 6.577 17.975 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.206 5.649 18.119 1.00 0.00 H new ATOM 859 N TRP A 58 8.020 7.209 10.384 1.00 0.00 N ATOM 860 CA TRP A 58 8.888 8.237 9.820 1.00 0.00 C ATOM 861 C TRP A 58 8.207 8.944 8.653 1.00 0.00 C ATOM 862 O TRP A 58 8.265 10.168 8.535 1.00 0.00 O ATOM 863 CB TRP A 58 10.209 7.621 9.358 1.00 0.00 C ATOM 864 CG TRP A 58 10.921 6.864 10.438 1.00 0.00 C ATOM 865 CD1 TRP A 58 10.840 5.524 10.689 1.00 0.00 C ATOM 866 CD2 TRP A 58 11.820 7.403 11.413 1.00 0.00 C ATOM 867 NE1 TRP A 58 11.635 5.198 11.761 1.00 0.00 N ATOM 868 CE2 TRP A 58 12.247 6.333 12.223 1.00 0.00 C ATOM 869 CE3 TRP A 58 12.307 8.686 11.679 1.00 0.00 C ATOM 870 CZ2 TRP A 58 13.136 6.509 13.280 1.00 0.00 C ATOM 871 CZ3 TRP A 58 13.189 8.858 12.729 1.00 0.00 C ATOM 872 CH2 TRP A 58 13.597 7.775 13.518 1.00 0.00 C ATOM 0 H TRP A 58 8.268 6.256 10.119 1.00 0.00 H new ATOM 0 HA TRP A 58 9.091 8.973 10.598 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.016 6.950 8.521 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.861 8.412 8.988 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.239 4.824 10.127 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.751 4.262 12.150 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.000 9.527 11.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.451 5.676 13.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.570 9.845 12.945 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.289 7.943 14.330 1.00 0.00 H new ATOM 883 N LYS A 59 7.561 8.166 7.791 1.00 0.00 N ATOM 884 CA LYS A 59 6.867 8.717 6.633 1.00 0.00 C ATOM 885 C LYS A 59 7.817 9.541 5.771 1.00 0.00 C ATOM 886 O LYS A 59 7.437 10.581 5.233 1.00 0.00 O ATOM 887 CB LYS A 59 5.688 9.583 7.084 1.00 0.00 C ATOM 888 CG LYS A 59 4.487 8.780 7.551 1.00 0.00 C ATOM 889 CD LYS A 59 3.201 9.581 7.432 1.00 0.00 C ATOM 890 CE LYS A 59 1.978 8.713 7.689 1.00 0.00 C ATOM 891 NZ LYS A 59 1.600 8.700 9.129 1.00 0.00 N ATOM 0 H LYS A 59 7.504 7.151 7.873 1.00 0.00 H new ATOM 0 HA LYS A 59 6.492 7.886 6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.016 10.235 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.385 10.228 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.405 7.868 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.632 8.475 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.218 10.407 8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.135 10.019 6.436 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.140 9.081 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.179 7.694 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.689 8.212 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.331 8.202 9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.515 9.677 9.474 1.00 0.00 H new ATOM 905 N GLU A 60 9.053 9.070 5.643 1.00 0.00 N ATOM 906 CA GLU A 60 10.057 9.764 4.845 1.00 0.00 C ATOM 907 C GLU A 60 9.489 10.166 3.487 1.00 0.00 C ATOM 908 O GLU A 60 8.635 9.476 2.931 1.00 0.00 O ATOM 909 CB GLU A 60 11.290 8.879 4.653 1.00 0.00 C ATOM 910 CG GLU A 60 12.589 9.660 4.545 1.00 0.00 C ATOM 911 CD GLU A 60 12.860 10.148 3.135 1.00 0.00 C ATOM 912 OE1 GLU A 60 12.884 9.309 2.210 1.00 0.00 O ATOM 913 OE2 GLU A 60 13.049 11.370 2.957 1.00 0.00 O ATOM 0 H GLU A 60 9.383 8.210 6.082 1.00 0.00 H new ATOM 0 HA GLU A 60 10.348 10.668 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.362 8.184 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.160 8.280 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.552 10.515 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.416 9.030 4.873 1.00 0.00 H new ATOM 920 N ASN A 61 9.969 11.288 2.960 1.00 0.00 N ATOM 921 CA ASN A 61 9.509 11.783 1.668 1.00 0.00 C ATOM 922 C ASN A 61 9.976 10.871 0.538 1.00 0.00 C ATOM 923 O ASN A 61 11.171 10.717 0.285 1.00 0.00 O ATOM 924 CB ASN A 61 10.018 13.207 1.433 1.00 0.00 C ATOM 925 CG ASN A 61 9.877 13.640 -0.013 1.00 0.00 C ATOM 926 OD1 ASN A 61 9.150 13.021 -0.790 1.00 0.00 O ATOM 927 ND2 ASN A 61 10.574 14.709 -0.381 1.00 0.00 N ATOM 0 H ASN A 61 10.676 11.871 3.408 1.00 0.00 H new ATOM 0 HA ASN A 61 8.419 11.791 1.677 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.466 13.897 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.066 13.269 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.519 15.048 -1.342 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.164 15.191 0.297 1.00 0.00 H new ATOM 934 N PRO A 62 9.012 10.251 -0.159 1.00 0.00 N ATOM 935 CA PRO A 62 9.300 9.345 -1.275 1.00 0.00 C ATOM 936 C PRO A 62 9.845 10.081 -2.494 1.00 0.00 C ATOM 937 O PRO A 62 9.404 11.185 -2.812 1.00 0.00 O ATOM 938 CB PRO A 62 7.936 8.725 -1.589 1.00 0.00 C ATOM 939 CG PRO A 62 6.945 9.729 -1.113 1.00 0.00 C ATOM 940 CD PRO A 62 7.567 10.388 0.087 1.00 0.00 C ATOM 0 HA PRO A 62 10.067 8.614 -1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.824 8.534 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.808 7.770 -1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.727 10.461 -1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.001 9.251 -0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.271 11.434 0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.269 9.898 1.014 1.00 0.00 H new ATOM 948 N SER A 63 10.805 9.461 -3.173 1.00 0.00 N ATOM 949 CA SER A 63 11.412 10.060 -4.356 1.00 0.00 C ATOM 950 C SER A 63 12.071 8.994 -5.227 1.00 0.00 C ATOM 951 O SER A 63 12.428 7.911 -4.763 1.00 0.00 O ATOM 952 CB SER A 63 12.446 11.112 -3.949 1.00 0.00 C ATOM 953 OG SER A 63 11.851 12.392 -3.832 1.00 0.00 O ATOM 0 H SER A 63 11.179 8.545 -2.925 1.00 0.00 H new ATOM 0 HA SER A 63 10.623 10.541 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.901 10.831 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.246 11.145 -4.689 1.00 0.00 H new ATOM 0 HG SER A 63 10.940 12.299 -3.484 1.00 0.00 H new ATOM 959 N PRO A 64 12.236 9.307 -6.521 1.00 0.00 N ATOM 960 CA PRO A 64 12.852 8.391 -7.485 1.00 0.00 C ATOM 961 C PRO A 64 14.346 8.208 -7.237 1.00 0.00 C ATOM 962 O PRO A 64 15.016 7.465 -7.953 1.00 0.00 O ATOM 963 CB PRO A 64 12.614 9.079 -8.831 1.00 0.00 C ATOM 964 CG PRO A 64 12.480 10.525 -8.499 1.00 0.00 C ATOM 965 CD PRO A 64 11.834 10.580 -7.142 1.00 0.00 C ATOM 0 HA PRO A 64 12.428 7.389 -7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.444 8.905 -9.516 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.715 8.699 -9.316 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.454 11.015 -8.488 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.872 11.041 -9.242 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.183 11.436 -6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.750 10.666 -7.216 1.00 0.00 H new ATOM 973 N GLU A 65 14.860 8.889 -6.218 1.00 0.00 N ATOM 974 CA GLU A 65 16.275 8.801 -5.877 1.00 0.00 C ATOM 975 C GLU A 65 16.535 7.635 -4.929 1.00 0.00 C ATOM 976 O GLU A 65 17.520 6.912 -5.072 1.00 0.00 O ATOM 977 CB GLU A 65 16.751 10.108 -5.239 1.00 0.00 C ATOM 978 CG GLU A 65 17.024 11.213 -6.245 1.00 0.00 C ATOM 979 CD GLU A 65 17.944 12.287 -5.698 1.00 0.00 C ATOM 980 OE1 GLU A 65 18.932 11.932 -5.022 1.00 0.00 O ATOM 981 OE2 GLU A 65 17.676 13.481 -5.945 1.00 0.00 O ATOM 0 H GLU A 65 14.318 9.507 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 65 16.834 8.630 -6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.998 10.452 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.660 9.914 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.469 10.781 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 65 16.080 11.667 -6.545 1.00 0.00 H new ATOM 988 N ASN A 66 15.643 7.459 -3.959 1.00 0.00 N ATOM 989 CA ASN A 66 15.775 6.381 -2.985 1.00 0.00 C ATOM 990 C ASN A 66 15.289 5.058 -3.569 1.00 0.00 C ATOM 991 O ASN A 66 14.092 4.864 -3.782 1.00 0.00 O ATOM 992 CB ASN A 66 14.987 6.712 -1.716 1.00 0.00 C ATOM 993 CG ASN A 66 15.472 5.928 -0.513 1.00 0.00 C ATOM 994 OD1 ASN A 66 16.144 4.906 -0.654 1.00 0.00 O ATOM 995 ND2 ASN A 66 15.133 6.404 0.680 1.00 0.00 N ATOM 0 H ASN A 66 14.821 8.049 -3.827 1.00 0.00 H new ATOM 0 HA ASN A 66 16.831 6.280 -2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.070 7.779 -1.508 1.00 0.00 H new ATOM 0 HB3 ASN A 66 13.931 6.501 -1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.431 5.919 1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.575 7.255 0.750 1.00 0.00 H new ATOM 1002 N ARG A 67 16.226 4.150 -3.824 1.00 0.00 N ATOM 1003 CA ARG A 67 15.893 2.846 -4.383 1.00 0.00 C ATOM 1004 C ARG A 67 15.165 1.983 -3.356 1.00 0.00 C ATOM 1005 O ARG A 67 13.980 1.684 -3.508 1.00 0.00 O ATOM 1006 CB ARG A 67 17.161 2.132 -4.857 1.00 0.00 C ATOM 1007 CG ARG A 67 17.638 2.584 -6.228 1.00 0.00 C ATOM 1008 CD ARG A 67 17.034 1.735 -7.335 1.00 0.00 C ATOM 1009 NE ARG A 67 17.867 0.578 -7.654 1.00 0.00 N ATOM 1010 CZ ARG A 67 18.892 0.621 -8.499 1.00 0.00 C ATOM 1011 NH1 ARG A 67 19.207 1.756 -9.106 1.00 0.00 N ATOM 1012 NH2 ARG A 67 19.602 -0.474 -8.737 1.00 0.00 N ATOM 0 H ARG A 67 17.221 4.294 -3.652 1.00 0.00 H new ATOM 0 HA ARG A 67 15.231 3.002 -5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 67 17.956 2.301 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.975 1.058 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.369 3.629 -6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 67 18.725 2.524 -6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.043 1.396 -7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.903 2.345 -8.229 1.00 0.00 H new ATOM 0 HE ARG A 67 17.650 -0.311 -7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.662 2.599 -8.925 1.00 0.00 H new ATOM 0 HH12 ARG A 67 19.994 1.786 -9.754 1.00 0.00 H new ATOM 0 HH21 ARG A 67 19.361 -1.349 -8.272 1.00 0.00 H new ATOM 0 HH22 ARG A 67 20.389 -0.441 -9.386 1.00 0.00 H new ATOM 1026 N THR A 68 15.882 1.586 -2.310 1.00 0.00 N ATOM 1027 CA THR A 68 15.306 0.757 -1.259 1.00 0.00 C ATOM 1028 C THR A 68 13.906 1.234 -0.888 1.00 0.00 C ATOM 1029 O THR A 68 13.046 0.435 -0.512 1.00 0.00 O ATOM 1030 CB THR A 68 16.187 0.758 0.005 1.00 0.00 C ATOM 1031 OG1 THR A 68 17.510 0.316 -0.321 1.00 0.00 O ATOM 1032 CG2 THR A 68 15.596 -0.143 1.078 1.00 0.00 C ATOM 0 H THR A 68 16.863 1.825 -2.168 1.00 0.00 H new ATOM 0 HA THR A 68 15.250 -0.258 -1.653 1.00 0.00 H new ATOM 0 HB THR A 68 16.229 1.776 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 68 18.065 0.321 0.487 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.236 -0.126 1.960 1.00 0.00 H new ATOM 0 HG22 THR A 68 14.601 0.213 1.344 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.527 -1.163 0.699 1.00 0.00 H new ATOM 1040 N LEU A 69 13.683 2.539 -0.997 1.00 0.00 N ATOM 1041 CA LEU A 69 12.385 3.122 -0.673 1.00 0.00 C ATOM 1042 C LEU A 69 11.473 3.132 -1.896 1.00 0.00 C ATOM 1043 O LEU A 69 10.469 2.420 -1.938 1.00 0.00 O ATOM 1044 CB LEU A 69 12.562 4.546 -0.144 1.00 0.00 C ATOM 1045 CG LEU A 69 11.508 5.028 0.853 1.00 0.00 C ATOM 1046 CD1 LEU A 69 11.423 4.079 2.040 1.00 0.00 C ATOM 1047 CD2 LEU A 69 11.821 6.442 1.320 1.00 0.00 C ATOM 0 H LEU A 69 14.383 3.213 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 69 11.921 2.509 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.541 4.617 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.569 5.229 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 69 10.540 5.039 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.668 4.438 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.150 3.083 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 69 12.390 4.036 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.060 6.768 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.798 6.458 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.830 7.115 0.462 1.00 0.00 H new ATOM 1059 N TRP A 70 11.829 3.940 -2.887 1.00 0.00 N ATOM 1060 CA TRP A 70 11.043 4.040 -4.111 1.00 0.00 C ATOM 1061 C TRP A 70 10.632 2.659 -4.609 1.00 0.00 C ATOM 1062 O TRP A 70 9.463 2.421 -4.912 1.00 0.00 O ATOM 1063 CB TRP A 70 11.839 4.770 -5.195 1.00 0.00 C ATOM 1064 CG TRP A 70 11.014 5.138 -6.391 1.00 0.00 C ATOM 1065 CD1 TRP A 70 10.914 4.444 -7.562 1.00 0.00 C ATOM 1066 CD2 TRP A 70 10.177 6.291 -6.533 1.00 0.00 C ATOM 1067 NE1 TRP A 70 10.064 5.095 -8.424 1.00 0.00 N ATOM 1068 CE2 TRP A 70 9.598 6.230 -7.816 1.00 0.00 C ATOM 1069 CE3 TRP A 70 9.857 7.366 -5.700 1.00 0.00 C ATOM 1070 CZ2 TRP A 70 8.721 7.205 -8.283 1.00 0.00 C ATOM 1071 CZ3 TRP A 70 8.986 8.333 -6.166 1.00 0.00 C ATOM 1072 CH2 TRP A 70 8.426 8.247 -7.447 1.00 0.00 C ATOM 0 H TRP A 70 12.657 4.536 -2.867 1.00 0.00 H new ATOM 0 HA TRP A 70 10.140 4.609 -3.887 1.00 0.00 H new ATOM 0 HB2 TRP A 70 12.273 5.675 -4.770 1.00 0.00 H new ATOM 0 HB3 TRP A 70 12.668 4.138 -5.515 1.00 0.00 H new ATOM 0 HD1 TRP A 70 11.427 3.519 -7.779 1.00 0.00 H new ATOM 0 HE1 TRP A 70 9.820 4.783 -9.364 1.00 0.00 H new ATOM 0 HE3 TRP A 70 10.282 7.440 -4.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 8.289 7.141 -9.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 8.733 9.169 -5.531 1.00 0.00 H new ATOM 0 HH2 TRP A 70 7.748 9.018 -7.781 1.00 0.00 H new ATOM 1083 N GLU A 71 11.600 1.751 -4.690 1.00 0.00 N ATOM 1084 CA GLU A 71 11.337 0.394 -5.152 1.00 0.00 C ATOM 1085 C GLU A 71 10.148 -0.212 -4.412 1.00 0.00 C ATOM 1086 O GLU A 71 9.098 -0.464 -5.002 1.00 0.00 O ATOM 1087 CB GLU A 71 12.574 -0.485 -4.956 1.00 0.00 C ATOM 1088 CG GLU A 71 13.729 -0.124 -5.875 1.00 0.00 C ATOM 1089 CD GLU A 71 14.586 -1.322 -6.234 1.00 0.00 C ATOM 1090 OE1 GLU A 71 15.377 -1.763 -5.375 1.00 0.00 O ATOM 1091 OE2 GLU A 71 14.465 -1.819 -7.374 1.00 0.00 O ATOM 0 H GLU A 71 12.573 1.931 -4.442 1.00 0.00 H new ATOM 0 HA GLU A 71 11.097 0.440 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.906 -0.405 -3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.299 -1.527 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.336 0.323 -6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.350 0.631 -5.392 1.00 0.00 H new ATOM 1098 N ASN A 72 10.321 -0.443 -3.114 1.00 0.00 N ATOM 1099 CA ASN A 72 9.263 -1.020 -2.293 1.00 0.00 C ATOM 1100 C ASN A 72 7.967 -0.228 -2.439 1.00 0.00 C ATOM 1101 O ASN A 72 6.913 -0.791 -2.739 1.00 0.00 O ATOM 1102 CB ASN A 72 9.690 -1.052 -0.824 1.00 0.00 C ATOM 1103 CG ASN A 72 10.816 -2.036 -0.571 1.00 0.00 C ATOM 1104 OD1 ASN A 72 10.877 -3.099 -1.188 1.00 0.00 O ATOM 1105 ND2 ASN A 72 11.715 -1.684 0.342 1.00 0.00 N ATOM 0 H ASN A 72 11.183 -0.239 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 72 9.086 -2.039 -2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.007 -0.055 -0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.833 -1.317 -0.205 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.495 -2.305 0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.625 -0.793 0.829 1.00 0.00 H new ATOM 1112 N LEU A 73 8.053 1.081 -2.228 1.00 0.00 N ATOM 1113 CA LEU A 73 6.887 1.951 -2.337 1.00 0.00 C ATOM 1114 C LEU A 73 6.233 1.815 -3.708 1.00 0.00 C ATOM 1115 O LEU A 73 5.043 2.091 -3.869 1.00 0.00 O ATOM 1116 CB LEU A 73 7.289 3.407 -2.093 1.00 0.00 C ATOM 1117 CG LEU A 73 7.504 3.808 -0.633 1.00 0.00 C ATOM 1118 CD1 LEU A 73 7.681 5.314 -0.514 1.00 0.00 C ATOM 1119 CD2 LEU A 73 6.340 3.337 0.227 1.00 0.00 C ATOM 0 H LEU A 73 8.917 1.563 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 73 6.165 1.648 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.209 3.606 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.519 4.052 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 73 8.413 3.326 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.833 5.581 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.547 5.626 -1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.790 5.816 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.510 3.631 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.416 3.790 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.259 2.252 0.167 1.00 0.00 H new ATOM 1131 N CYS A 74 7.016 1.387 -4.692 1.00 0.00 N ATOM 1132 CA CYS A 74 6.512 1.213 -6.049 1.00 0.00 C ATOM 1133 C CYS A 74 5.556 0.028 -6.127 1.00 0.00 C ATOM 1134 O CYS A 74 4.482 0.120 -6.722 1.00 0.00 O ATOM 1135 CB CYS A 74 7.673 1.012 -7.024 1.00 0.00 C ATOM 1136 SG CYS A 74 7.272 1.410 -8.742 1.00 0.00 S ATOM 0 H CYS A 74 8.002 1.154 -4.575 1.00 0.00 H new ATOM 0 HA CYS A 74 5.966 2.115 -6.326 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.512 1.630 -6.705 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.003 -0.025 -6.970 1.00 0.00 H new ATOM 0 HG CYS A 74 8.317 1.210 -9.489 1.00 0.00 H new ATOM 1142 N THR A 75 5.954 -1.087 -5.522 1.00 0.00 N ATOM 1143 CA THR A 75 5.134 -2.292 -5.524 1.00 0.00 C ATOM 1144 C THR A 75 3.868 -2.098 -4.698 1.00 0.00 C ATOM 1145 O THR A 75 2.808 -2.627 -5.035 1.00 0.00 O ATOM 1146 CB THR A 75 5.912 -3.502 -4.973 1.00 0.00 C ATOM 1147 OG1 THR A 75 5.445 -4.707 -5.589 1.00 0.00 O ATOM 1148 CG2 THR A 75 5.754 -3.605 -3.463 1.00 0.00 C ATOM 0 H THR A 75 6.839 -1.180 -5.024 1.00 0.00 H new ATOM 0 HA THR A 75 4.861 -2.486 -6.561 1.00 0.00 H new ATOM 0 HB THR A 75 6.968 -3.362 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.946 -5.471 -5.234 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.312 -4.467 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.137 -2.699 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.699 -3.724 -3.215 1.00 0.00 H new ATOM 1156 N ILE A 76 3.985 -1.335 -3.616 1.00 0.00 N ATOM 1157 CA ILE A 76 2.848 -1.070 -2.743 1.00 0.00 C ATOM 1158 C ILE A 76 1.867 -0.102 -3.397 1.00 0.00 C ATOM 1159 O ILE A 76 0.670 -0.127 -3.109 1.00 0.00 O ATOM 1160 CB ILE A 76 3.300 -0.489 -1.391 1.00 0.00 C ATOM 1161 CG1 ILE A 76 4.389 -1.367 -0.772 1.00 0.00 C ATOM 1162 CG2 ILE A 76 2.115 -0.361 -0.446 1.00 0.00 C ATOM 1163 CD1 ILE A 76 4.852 -0.889 0.587 1.00 0.00 C ATOM 0 H ILE A 76 4.855 -0.890 -3.323 1.00 0.00 H new ATOM 0 HA ILE A 76 2.353 -2.026 -2.571 1.00 0.00 H new ATOM 0 HB ILE A 76 3.714 0.505 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.014 -2.386 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.244 -1.401 -1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.451 0.051 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.369 0.302 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.674 -1.344 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.624 -1.559 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.257 0.119 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.008 -0.882 1.277 1.00 0.00 H new ATOM 1175 N ARG A 77 2.382 0.748 -4.279 1.00 0.00 N ATOM 1176 CA ARG A 77 1.552 1.724 -4.975 1.00 0.00 C ATOM 1177 C ARG A 77 0.619 1.035 -5.967 1.00 0.00 C ATOM 1178 O ARG A 77 -0.527 1.448 -6.145 1.00 0.00 O ATOM 1179 CB ARG A 77 2.428 2.743 -5.705 1.00 0.00 C ATOM 1180 CG ARG A 77 1.655 3.641 -6.656 1.00 0.00 C ATOM 1181 CD ARG A 77 0.823 4.666 -5.901 1.00 0.00 C ATOM 1182 NE ARG A 77 -0.309 5.142 -6.692 1.00 0.00 N ATOM 1183 CZ ARG A 77 -0.196 6.019 -7.683 1.00 0.00 C ATOM 1184 NH1 ARG A 77 0.992 6.513 -8.004 1.00 0.00 N ATOM 1185 NH2 ARG A 77 -1.273 6.404 -8.356 1.00 0.00 N ATOM 0 H ARG A 77 3.370 0.781 -4.529 1.00 0.00 H new ATOM 0 HA ARG A 77 0.946 2.243 -4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.940 3.363 -4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.198 2.212 -6.265 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.351 4.154 -7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.004 3.033 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.457 4.224 -4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 77 1.453 5.511 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.237 4.781 -6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.822 6.220 -7.489 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.075 7.186 -8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.189 6.026 -8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.185 7.078 -9.117 1.00 0.00 H new ATOM 1199 N ARG A 78 1.119 -0.016 -6.609 1.00 0.00 N ATOM 1200 CA ARG A 78 0.331 -0.760 -7.584 1.00 0.00 C ATOM 1201 C ARG A 78 -0.774 -1.556 -6.896 1.00 0.00 C ATOM 1202 O ARG A 78 -1.850 -1.760 -7.460 1.00 0.00 O ATOM 1203 CB ARG A 78 1.231 -1.703 -8.385 1.00 0.00 C ATOM 1204 CG ARG A 78 2.000 -1.012 -9.498 1.00 0.00 C ATOM 1205 CD ARG A 78 3.231 -1.809 -9.903 1.00 0.00 C ATOM 1206 NE ARG A 78 3.663 -1.495 -11.262 1.00 0.00 N ATOM 1207 CZ ARG A 78 4.399 -2.313 -12.007 1.00 0.00 C ATOM 1208 NH1 ARG A 78 4.781 -3.488 -11.526 1.00 0.00 N ATOM 1209 NH2 ARG A 78 4.752 -1.956 -13.235 1.00 0.00 N ATOM 0 H ARG A 78 2.065 -0.371 -6.472 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.130 -0.044 -8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.939 -2.179 -7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.620 -2.496 -8.815 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.350 -0.880 -10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.301 -0.017 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.043 -1.600 -9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.014 -2.875 -9.829 1.00 0.00 H new ATOM 0 HE ARG A 78 3.385 -0.599 -11.661 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.510 -3.765 -10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.346 -4.115 -12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.458 -1.053 -13.608 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.317 -2.584 -13.806 1.00 0.00 H new ATOM 1223 N PHE A 79 -0.501 -2.004 -5.675 1.00 0.00 N ATOM 1224 CA PHE A 79 -1.472 -2.779 -4.911 1.00 0.00 C ATOM 1225 C PHE A 79 -2.729 -1.959 -4.638 1.00 0.00 C ATOM 1226 O PHE A 79 -3.845 -2.399 -4.919 1.00 0.00 O ATOM 1227 CB PHE A 79 -0.857 -3.246 -3.590 1.00 0.00 C ATOM 1228 CG PHE A 79 -1.612 -4.370 -2.941 1.00 0.00 C ATOM 1229 CD1 PHE A 79 -2.911 -4.183 -2.496 1.00 0.00 C ATOM 1230 CD2 PHE A 79 -1.024 -5.613 -2.775 1.00 0.00 C ATOM 1231 CE1 PHE A 79 -3.608 -5.216 -1.898 1.00 0.00 C ATOM 1232 CE2 PHE A 79 -1.716 -6.650 -2.178 1.00 0.00 C ATOM 1233 CZ PHE A 79 -3.011 -6.451 -1.740 1.00 0.00 C ATOM 0 H PHE A 79 0.384 -1.844 -5.194 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.750 -3.651 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.170 -3.565 -3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.813 -2.403 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.384 -3.220 -2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.012 -5.774 -3.116 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.619 -5.057 -1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.245 -7.614 -2.054 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.555 -7.260 -1.275 1.00 0.00 H new ATOM 1243 N LEU A 80 -2.541 -0.765 -4.088 1.00 0.00 N ATOM 1244 CA LEU A 80 -3.659 0.118 -3.775 1.00 0.00 C ATOM 1245 C LEU A 80 -4.464 0.443 -5.030 1.00 0.00 C ATOM 1246 O LEU A 80 -5.671 0.669 -4.964 1.00 0.00 O ATOM 1247 CB LEU A 80 -3.150 1.410 -3.133 1.00 0.00 C ATOM 1248 CG LEU A 80 -2.157 1.242 -1.983 1.00 0.00 C ATOM 1249 CD1 LEU A 80 -1.545 2.582 -1.606 1.00 0.00 C ATOM 1250 CD2 LEU A 80 -2.838 0.607 -0.779 1.00 0.00 C ATOM 0 H LEU A 80 -1.625 -0.386 -3.849 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.311 -0.398 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.679 2.016 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.009 1.972 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.356 0.580 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.841 2.443 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.022 2.998 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.333 3.267 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.116 0.495 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.659 1.243 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.227 -0.373 -1.056 1.00 0.00 H new ATOM 1262 N ASN A 81 -3.785 0.463 -6.173 1.00 0.00 N ATOM 1263 CA ASN A 81 -4.437 0.758 -7.443 1.00 0.00 C ATOM 1264 C ASN A 81 -5.487 -0.298 -7.775 1.00 0.00 C ATOM 1265 O ASN A 81 -6.362 -0.078 -8.614 1.00 0.00 O ATOM 1266 CB ASN A 81 -3.401 0.834 -8.567 1.00 0.00 C ATOM 1267 CG ASN A 81 -2.851 2.235 -8.752 1.00 0.00 C ATOM 1268 OD1 ASN A 81 -3.562 3.141 -9.186 1.00 0.00 O ATOM 1269 ND2 ASN A 81 -1.577 2.418 -8.422 1.00 0.00 N ATOM 0 H ASN A 81 -2.784 0.279 -6.245 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.935 1.723 -7.351 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.581 0.150 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.855 0.499 -9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.151 3.339 -8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.025 1.637 -8.066 1.00 0.00 H new ATOM 1276 N LEU A 82 -5.394 -1.445 -7.111 1.00 0.00 N ATOM 1277 CA LEU A 82 -6.336 -2.536 -7.333 1.00 0.00 C ATOM 1278 C LEU A 82 -7.706 -2.201 -6.752 1.00 0.00 C ATOM 1279 O LEU A 82 -7.833 -1.417 -5.811 1.00 0.00 O ATOM 1280 CB LEU A 82 -5.807 -3.828 -6.708 1.00 0.00 C ATOM 1281 CG LEU A 82 -4.532 -4.401 -7.328 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -4.025 -5.580 -6.513 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -4.780 -4.815 -8.771 1.00 0.00 C ATOM 0 H LEU A 82 -4.676 -1.643 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.443 -2.677 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.622 -3.647 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.589 -4.585 -6.770 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.767 -3.625 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.117 -5.974 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.807 -5.253 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.787 -6.359 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.862 -5.220 -9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.561 -5.575 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.095 -3.947 -9.350 1.00 0.00 H new ATOM 1295 N PRO A 83 -8.756 -2.809 -7.324 1.00 0.00 N ATOM 1296 CA PRO A 83 -10.135 -2.592 -6.877 1.00 0.00 C ATOM 1297 C PRO A 83 -10.403 -3.203 -5.505 1.00 0.00 C ATOM 1298 O PRO A 83 -9.835 -4.237 -5.155 1.00 0.00 O ATOM 1299 CB PRO A 83 -10.970 -3.298 -7.948 1.00 0.00 C ATOM 1300 CG PRO A 83 -10.064 -4.336 -8.512 1.00 0.00 C ATOM 1301 CD PRO A 83 -8.678 -3.755 -8.449 1.00 0.00 C ATOM 0 HA PRO A 83 -10.365 -1.532 -6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.867 -3.746 -7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.299 -2.600 -8.717 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.126 -5.261 -7.939 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -10.339 -4.578 -9.538 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.927 -4.525 -8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.410 -3.253 -9.379 1.00 0.00 H new ATOM 1309 N GLN A 84 -11.271 -2.556 -4.734 1.00 0.00 N ATOM 1310 CA GLN A 84 -11.613 -3.037 -3.401 1.00 0.00 C ATOM 1311 C GLN A 84 -11.865 -4.541 -3.412 1.00 0.00 C ATOM 1312 O GLN A 84 -11.385 -5.268 -2.541 1.00 0.00 O ATOM 1313 CB GLN A 84 -12.849 -2.305 -2.873 1.00 0.00 C ATOM 1314 CG GLN A 84 -13.088 -2.508 -1.386 1.00 0.00 C ATOM 1315 CD GLN A 84 -11.921 -2.040 -0.538 1.00 0.00 C ATOM 1316 OE1 GLN A 84 -11.003 -2.807 -0.246 1.00 0.00 O ATOM 1317 NE2 GLN A 84 -11.951 -0.774 -0.138 1.00 0.00 N ATOM 0 H GLN A 84 -11.750 -1.698 -5.009 1.00 0.00 H new ATOM 0 HA GLN A 84 -10.769 -2.834 -2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.742 -1.239 -3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.726 -2.646 -3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.987 -1.968 -1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.272 -3.565 -1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.732 -0.174 -0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.193 -0.402 0.435 1.00 0.00 H new ATOM 1326 N HIS A 85 -12.621 -5.002 -4.403 1.00 0.00 N ATOM 1327 CA HIS A 85 -12.936 -6.421 -4.528 1.00 0.00 C ATOM 1328 C HIS A 85 -11.662 -7.252 -4.649 1.00 0.00 C ATOM 1329 O HIS A 85 -11.618 -8.402 -4.215 1.00 0.00 O ATOM 1330 CB HIS A 85 -13.833 -6.661 -5.743 1.00 0.00 C ATOM 1331 CG HIS A 85 -13.074 -6.986 -6.992 1.00 0.00 C ATOM 1332 ND1 HIS A 85 -12.802 -6.054 -7.972 1.00 0.00 N ATOM 1333 CD2 HIS A 85 -12.527 -8.149 -7.419 1.00 0.00 C ATOM 1334 CE1 HIS A 85 -12.122 -6.630 -8.947 1.00 0.00 C ATOM 1335 NE2 HIS A 85 -11.942 -7.901 -8.636 1.00 0.00 N ATOM 0 H HIS A 85 -13.027 -4.414 -5.131 1.00 0.00 H new ATOM 0 HA HIS A 85 -13.466 -6.731 -3.628 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.520 -7.478 -5.522 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.440 -5.773 -5.917 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.547 -9.095 -6.899 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -11.772 -6.144 -9.846 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -11.448 -8.587 -9.207 1.00 0.00 H new ATOM 1344 N GLU A 86 -10.630 -6.661 -5.242 1.00 0.00 N ATOM 1345 CA GLU A 86 -9.357 -7.348 -5.421 1.00 0.00 C ATOM 1346 C GLU A 86 -8.576 -7.399 -4.111 1.00 0.00 C ATOM 1347 O GLU A 86 -8.379 -8.468 -3.534 1.00 0.00 O ATOM 1348 CB GLU A 86 -8.522 -6.651 -6.498 1.00 0.00 C ATOM 1349 CG GLU A 86 -8.748 -7.202 -7.896 1.00 0.00 C ATOM 1350 CD GLU A 86 -7.943 -8.458 -8.165 1.00 0.00 C ATOM 1351 OE1 GLU A 86 -7.888 -9.330 -7.272 1.00 0.00 O ATOM 1352 OE2 GLU A 86 -7.367 -8.570 -9.267 1.00 0.00 O ATOM 0 H GLU A 86 -10.651 -5.709 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.567 -8.369 -5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.756 -5.586 -6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.466 -6.747 -6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.808 -7.419 -8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.483 -6.441 -8.630 1.00 0.00 H new ATOM 1359 N ARG A 87 -8.135 -6.234 -3.647 1.00 0.00 N ATOM 1360 CA ARG A 87 -7.375 -6.145 -2.406 1.00 0.00 C ATOM 1361 C ARG A 87 -7.974 -7.052 -1.335 1.00 0.00 C ATOM 1362 O ARG A 87 -7.254 -7.778 -0.649 1.00 0.00 O ATOM 1363 CB ARG A 87 -7.342 -4.700 -1.906 1.00 0.00 C ATOM 1364 CG ARG A 87 -7.153 -3.676 -3.013 1.00 0.00 C ATOM 1365 CD ARG A 87 -6.577 -2.375 -2.476 1.00 0.00 C ATOM 1366 NE ARG A 87 -7.038 -1.217 -3.238 1.00 0.00 N ATOM 1367 CZ ARG A 87 -8.183 -0.588 -2.997 1.00 0.00 C ATOM 1368 NH1 ARG A 87 -8.979 -1.002 -2.021 1.00 0.00 N ATOM 1369 NH2 ARG A 87 -8.534 0.459 -3.733 1.00 0.00 N ATOM 0 H ARG A 87 -8.291 -5.339 -4.112 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.356 -6.475 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.272 -4.486 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.534 -4.593 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.489 -4.082 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.110 -3.480 -3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.861 -2.257 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.488 -2.420 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.449 -0.873 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.713 -1.806 -1.452 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.857 -0.517 -1.839 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.924 0.781 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.413 0.941 -3.547 1.00 0.00 H new ATOM 1383 N ASP A 88 -9.294 -7.004 -1.198 1.00 0.00 N ATOM 1384 CA ASP A 88 -9.990 -7.822 -0.211 1.00 0.00 C ATOM 1385 C ASP A 88 -9.696 -9.303 -0.428 1.00 0.00 C ATOM 1386 O ASP A 88 -9.549 -10.064 0.529 1.00 0.00 O ATOM 1387 CB ASP A 88 -11.498 -7.573 -0.284 1.00 0.00 C ATOM 1388 CG ASP A 88 -11.944 -6.450 0.632 1.00 0.00 C ATOM 1389 OD1 ASP A 88 -11.453 -6.388 1.779 1.00 0.00 O ATOM 1390 OD2 ASP A 88 -12.783 -5.631 0.201 1.00 0.00 O ATOM 0 H ASP A 88 -9.904 -6.408 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.630 -7.540 0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.774 -7.332 -1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.028 -8.488 -0.017 1.00 0.00 H new ATOM 1395 N VAL A 89 -9.612 -9.706 -1.692 1.00 0.00 N ATOM 1396 CA VAL A 89 -9.335 -11.096 -2.034 1.00 0.00 C ATOM 1397 C VAL A 89 -7.922 -11.492 -1.622 1.00 0.00 C ATOM 1398 O VAL A 89 -7.713 -12.544 -1.018 1.00 0.00 O ATOM 1399 CB VAL A 89 -9.508 -11.347 -3.544 1.00 0.00 C ATOM 1400 CG1 VAL A 89 -9.228 -12.804 -3.878 1.00 0.00 C ATOM 1401 CG2 VAL A 89 -10.905 -10.948 -3.993 1.00 0.00 C ATOM 0 H VAL A 89 -9.732 -9.090 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.054 -11.706 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.788 -10.731 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.355 -12.963 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.206 -13.053 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.922 -13.442 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.010 -11.132 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.644 -11.537 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -11.064 -9.889 -3.790 1.00 0.00 H new ATOM 1411 N ILE A 90 -6.955 -10.643 -1.954 1.00 0.00 N ATOM 1412 CA ILE A 90 -5.561 -10.904 -1.617 1.00 0.00 C ATOM 1413 C ILE A 90 -5.381 -11.069 -0.112 1.00 0.00 C ATOM 1414 O ILE A 90 -4.752 -12.023 0.348 1.00 0.00 O ATOM 1415 CB ILE A 90 -4.641 -9.773 -2.112 1.00 0.00 C ATOM 1416 CG1 ILE A 90 -4.705 -9.665 -3.637 1.00 0.00 C ATOM 1417 CG2 ILE A 90 -3.211 -10.014 -1.652 1.00 0.00 C ATOM 1418 CD1 ILE A 90 -4.309 -8.303 -4.164 1.00 0.00 C ATOM 0 H ILE A 90 -7.111 -9.769 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.284 -11.832 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.985 -8.831 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.051 -10.419 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.719 -9.893 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.573 -9.206 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.180 -10.046 -0.563 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.855 -10.963 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.378 -8.300 -5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.979 -7.546 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.285 -8.081 -3.865 1.00 0.00 H new ATOM 1430 N TYR A 91 -5.937 -10.134 0.651 1.00 0.00 N ATOM 1431 CA TYR A 91 -5.837 -10.175 2.105 1.00 0.00 C ATOM 1432 C TYR A 91 -6.490 -11.436 2.661 1.00 0.00 C ATOM 1433 O TYR A 91 -5.929 -12.109 3.525 1.00 0.00 O ATOM 1434 CB TYR A 91 -6.493 -8.936 2.717 1.00 0.00 C ATOM 1435 CG TYR A 91 -6.011 -7.635 2.114 1.00 0.00 C ATOM 1436 CD1 TYR A 91 -4.654 -7.349 2.026 1.00 0.00 C ATOM 1437 CD2 TYR A 91 -6.912 -6.693 1.633 1.00 0.00 C ATOM 1438 CE1 TYR A 91 -4.209 -6.162 1.477 1.00 0.00 C ATOM 1439 CE2 TYR A 91 -6.476 -5.504 1.082 1.00 0.00 C ATOM 1440 CZ TYR A 91 -5.124 -5.243 1.006 1.00 0.00 C ATOM 1441 OH TYR A 91 -4.684 -4.060 0.458 1.00 0.00 O ATOM 0 H TYR A 91 -6.461 -9.339 0.287 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.780 -10.188 2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -7.573 -9.007 2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.298 -8.924 3.789 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.935 -8.067 2.393 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.972 -6.894 1.691 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.151 -5.955 1.417 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.190 -4.783 0.713 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.998 -4.247 -0.216 1.00 0.00 H new ATOM 1451 N GLU A 92 -7.680 -11.750 2.157 1.00 0.00 N ATOM 1452 CA GLU A 92 -8.410 -12.931 2.603 1.00 0.00 C ATOM 1453 C GLU A 92 -7.618 -14.203 2.311 1.00 0.00 C ATOM 1454 O GLU A 92 -7.300 -14.970 3.220 1.00 0.00 O ATOM 1455 CB GLU A 92 -9.777 -13.001 1.920 1.00 0.00 C ATOM 1456 CG GLU A 92 -10.715 -11.874 2.318 1.00 0.00 C ATOM 1457 CD GLU A 92 -11.535 -12.206 3.550 1.00 0.00 C ATOM 1458 OE1 GLU A 92 -11.050 -11.952 4.672 1.00 0.00 O ATOM 1459 OE2 GLU A 92 -12.662 -12.719 3.391 1.00 0.00 O ATOM 0 H GLU A 92 -8.158 -11.204 1.441 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.554 -12.852 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.635 -12.980 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.246 -13.955 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.134 -10.971 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.386 -11.654 1.488 1.00 0.00 H new ATOM 1466 N GLU A 93 -7.303 -14.418 1.038 1.00 0.00 N ATOM 1467 CA GLU A 93 -6.550 -15.597 0.627 1.00 0.00 C ATOM 1468 C GLU A 93 -5.264 -15.731 1.437 1.00 0.00 C ATOM 1469 O GLU A 93 -4.894 -16.827 1.856 1.00 0.00 O ATOM 1470 CB GLU A 93 -6.220 -15.524 -0.866 1.00 0.00 C ATOM 1471 CG GLU A 93 -7.447 -15.419 -1.756 1.00 0.00 C ATOM 1472 CD GLU A 93 -8.151 -16.749 -1.939 1.00 0.00 C ATOM 1473 OE1 GLU A 93 -7.455 -17.782 -2.031 1.00 0.00 O ATOM 1474 OE2 GLU A 93 -9.399 -16.757 -1.991 1.00 0.00 O ATOM 0 H GLU A 93 -7.557 -13.792 0.274 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.169 -16.475 0.813 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.577 -14.663 -1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.652 -16.411 -1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.143 -14.700 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.152 -15.031 -2.731 1.00 0.00 H new ATOM 1481 N GLU A 94 -4.587 -14.607 1.652 1.00 0.00 N ATOM 1482 CA GLU A 94 -3.342 -14.600 2.411 1.00 0.00 C ATOM 1483 C GLU A 94 -3.597 -14.934 3.878 1.00 0.00 C ATOM 1484 O GLU A 94 -3.159 -15.972 4.374 1.00 0.00 O ATOM 1485 CB GLU A 94 -2.659 -13.235 2.299 1.00 0.00 C ATOM 1486 CG GLU A 94 -1.512 -13.046 3.277 1.00 0.00 C ATOM 1487 CD GLU A 94 -0.288 -13.862 2.905 1.00 0.00 C ATOM 1488 OE1 GLU A 94 0.059 -13.897 1.706 1.00 0.00 O ATOM 1489 OE2 GLU A 94 0.321 -14.465 3.813 1.00 0.00 O ATOM 0 H GLU A 94 -4.879 -13.691 1.312 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.686 -15.363 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.284 -13.108 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.400 -12.453 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.243 -11.991 3.316 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.842 -13.328 4.277 1.00 0.00 H new