USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 516 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 73 GLN : amide:sc= 0.029 K(o=0.0045,f=-2.7) USER MOD Set 1.2: A 78 GLN : amide:sc= -0.0245 K(o=0.0045,f=-1.3) USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 55 THR OG1 : rot -170:sc= -0.496 USER MOD Set 3.1: A 25 MET CE :methyl -103:sc= -0.632 (180deg=-1.97!) USER MOD Set 3.2: A 45 MET CE :methyl -150:sc= -5.8 (180deg=-11.3!) USER MOD Set 4.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 51 CYS SG : rot 180:sc= -0.196 USER MOD Single : A 16 ASN :FLIP amide:sc= 0.147! F(o=-1.1,f=0.15!) USER MOD Single : A 21 TYR OH : rot -52:sc= 0.514 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.557 F(o=-2.2,f=-0.56) USER MOD Single : A 56 TYR OH : rot -26:sc= -0.228 USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= 0.0251 (180deg=0.00406) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -99:sc= 0.0395 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 70 ASN : amide:sc= -0.2 K(o=-0.2,f=-0.88) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0952 USER MOD Single : A 80 LYS NZ :NH3+ -139:sc= 0.051 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 206 N ASN A 16 6.671 7.664 -1.131 1.00 0.00 N ATOM 207 CA ASN A 16 7.500 6.666 -1.798 1.00 0.00 C ATOM 208 C ASN A 16 7.309 5.290 -1.167 1.00 0.00 C ATOM 209 O ASN A 16 7.266 4.276 -1.864 1.00 0.00 O ATOM 210 CB ASN A 16 8.974 7.070 -1.731 1.00 0.00 C ATOM 211 CG ASN A 16 9.388 7.519 -0.343 1.00 0.00 C ATOM 212 OD1 ASN A 16 10.517 7.005 0.133 1.00 0.00 O flip ATOM 213 ND2 ASN A 16 8.702 8.318 0.294 1.00 0.00 N flip ATOM 0 HA ASN A 16 7.192 6.613 -2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.593 6.227 -2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.160 7.876 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.842 8.688 -0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.994 8.611 1.227 1.00 0.00 H new ATOM 220 N THR A 17 7.194 5.263 0.157 1.00 0.00 N ATOM 221 CA THR A 17 7.008 4.013 0.882 1.00 0.00 C ATOM 222 C THR A 17 5.531 3.648 0.980 1.00 0.00 C ATOM 223 O THR A 17 4.664 4.522 0.976 1.00 0.00 O ATOM 224 CB THR A 17 7.600 4.094 2.302 1.00 0.00 C ATOM 225 OG1 THR A 17 8.910 4.670 2.254 1.00 0.00 O ATOM 226 CG2 THR A 17 7.671 2.714 2.938 1.00 0.00 C ATOM 0 H THR A 17 7.226 6.093 0.749 1.00 0.00 H new ATOM 0 HA THR A 17 7.534 3.241 0.320 1.00 0.00 H new ATOM 0 HB THR A 17 6.948 4.723 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.279 4.720 3.161 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.092 2.796 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.669 2.290 2.999 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.303 2.066 2.331 1.00 0.00 H new ATOM 234 N LEU A 18 5.251 2.352 1.068 1.00 0.00 N ATOM 235 CA LEU A 18 3.878 1.871 1.167 1.00 0.00 C ATOM 236 C LEU A 18 3.727 0.892 2.327 1.00 0.00 C ATOM 237 O LEU A 18 4.520 -0.038 2.475 1.00 0.00 O ATOM 238 CB LEU A 18 3.455 1.200 -0.141 1.00 0.00 C ATOM 239 CG LEU A 18 3.869 1.917 -1.427 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.948 0.933 -2.584 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.895 3.042 -1.747 1.00 0.00 C ATOM 0 H LEU A 18 5.957 1.616 1.073 1.00 0.00 H new ATOM 0 HA LEU A 18 3.231 2.729 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.871 0.193 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.370 1.097 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 18 4.858 2.351 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.244 1.461 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.684 0.162 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.973 0.470 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.205 3.541 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.894 2.631 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.888 3.761 -0.928 1.00 0.00 H new ATOM 253 N TYR A 19 2.702 1.106 3.145 1.00 0.00 N ATOM 254 CA TYR A 19 2.447 0.242 4.291 1.00 0.00 C ATOM 255 C TYR A 19 1.588 -0.954 3.892 1.00 0.00 C ATOM 256 O TYR A 19 0.365 -0.850 3.792 1.00 0.00 O ATOM 257 CB TYR A 19 1.756 1.030 5.406 1.00 0.00 C ATOM 258 CG TYR A 19 1.627 0.260 6.701 1.00 0.00 C ATOM 259 CD1 TYR A 19 0.633 -0.697 6.867 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.500 0.488 7.758 1.00 0.00 C ATOM 261 CE1 TYR A 19 0.511 -1.402 8.049 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.386 -0.213 8.943 1.00 0.00 C ATOM 263 CZ TYR A 19 1.390 -1.157 9.084 1.00 0.00 C ATOM 264 OH TYR A 19 1.272 -1.858 10.262 1.00 0.00 O ATOM 0 H TYR A 19 2.035 1.870 3.036 1.00 0.00 H new ATOM 0 HA TYR A 19 3.406 -0.128 4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.316 1.947 5.592 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.763 1.326 5.068 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.056 -0.893 6.058 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.281 1.226 7.651 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.268 -2.141 8.162 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.073 -0.023 9.755 1.00 0.00 H new ATOM 0 HH TYR A 19 1.968 -1.567 10.887 1.00 0.00 H new ATOM 274 N VAL A 20 2.238 -2.091 3.665 1.00 0.00 N ATOM 275 CA VAL A 20 1.535 -3.309 3.278 1.00 0.00 C ATOM 276 C VAL A 20 1.219 -4.171 4.495 1.00 0.00 C ATOM 277 O VAL A 20 2.039 -4.307 5.403 1.00 0.00 O ATOM 278 CB VAL A 20 2.360 -4.138 2.275 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.492 -5.201 1.620 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.991 -3.233 1.228 1.00 0.00 C ATOM 0 H VAL A 20 3.250 -2.194 3.742 1.00 0.00 H new ATOM 0 HA VAL A 20 0.603 -3.000 2.804 1.00 0.00 H new ATOM 0 HB VAL A 20 3.161 -4.641 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.092 -5.777 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.093 -5.867 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.668 -4.722 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.570 -3.835 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.208 -2.701 0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.648 -2.514 1.717 1.00 0.00 H new ATOM 290 N TYR A 21 0.024 -4.752 4.506 1.00 0.00 N ATOM 291 CA TYR A 21 -0.402 -5.600 5.613 1.00 0.00 C ATOM 292 C TYR A 21 -1.192 -6.803 5.105 1.00 0.00 C ATOM 293 O TYR A 21 -2.208 -6.652 4.429 1.00 0.00 O ATOM 294 CB TYR A 21 -1.252 -4.798 6.600 1.00 0.00 C ATOM 295 CG TYR A 21 -2.117 -5.659 7.493 1.00 0.00 C ATOM 296 CD1 TYR A 21 -1.619 -6.824 8.062 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.432 -5.306 7.769 1.00 0.00 C ATOM 298 CE1 TYR A 21 -2.406 -7.614 8.878 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.226 -6.088 8.585 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.708 -7.242 9.136 1.00 0.00 C ATOM 301 OH TYR A 21 -4.495 -8.025 9.950 1.00 0.00 O ATOM 0 H TYR A 21 -0.666 -4.651 3.762 1.00 0.00 H new ATOM 0 HA TYR A 21 0.490 -5.963 6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.595 -4.190 7.222 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.890 -4.111 6.043 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.599 -7.118 7.863 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.841 -4.404 7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.003 -8.518 9.311 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.246 -5.798 8.790 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.473 -8.952 9.633 1.00 0.00 H new ATOM 311 N GLY A 22 -0.715 -7.999 5.437 1.00 0.00 N ATOM 312 CA GLY A 22 -1.388 -9.211 5.007 1.00 0.00 C ATOM 313 C GLY A 22 -1.464 -10.252 6.106 1.00 0.00 C ATOM 314 O GLY A 22 -1.457 -9.916 7.290 1.00 0.00 O ATOM 0 H GLY A 22 0.125 -8.150 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.396 -8.965 4.674 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.862 -9.630 4.149 1.00 0.00 H new ATOM 318 N GLU A 23 -1.540 -11.520 5.714 1.00 0.00 N ATOM 319 CA GLU A 23 -1.622 -12.613 6.675 1.00 0.00 C ATOM 320 C GLU A 23 -0.610 -13.707 6.343 1.00 0.00 C ATOM 321 O GLU A 23 0.284 -14.001 7.136 1.00 0.00 O ATOM 322 CB GLU A 23 -3.035 -13.200 6.696 1.00 0.00 C ATOM 323 CG GLU A 23 -4.122 -12.161 6.915 1.00 0.00 C ATOM 324 CD GLU A 23 -4.434 -11.945 8.383 1.00 0.00 C ATOM 325 OE1 GLU A 23 -4.801 -12.927 9.062 1.00 0.00 O ATOM 326 OE2 GLU A 23 -4.313 -10.795 8.853 1.00 0.00 O ATOM 0 H GLU A 23 -1.546 -11.815 4.738 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.388 -12.213 7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.220 -13.714 5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.096 -13.950 7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.811 -11.216 6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.028 -12.474 6.397 1.00 0.00 H new ATOM 333 N ASP A 24 -0.759 -14.304 5.166 1.00 0.00 N ATOM 334 CA ASP A 24 0.141 -15.364 4.728 1.00 0.00 C ATOM 335 C ASP A 24 0.956 -14.919 3.518 1.00 0.00 C ATOM 336 O ASP A 24 1.138 -15.679 2.566 1.00 0.00 O ATOM 337 CB ASP A 24 -0.652 -16.627 4.388 1.00 0.00 C ATOM 338 CG ASP A 24 -1.344 -17.220 5.599 1.00 0.00 C ATOM 339 OD1 ASP A 24 -2.443 -16.741 5.948 1.00 0.00 O ATOM 340 OD2 ASP A 24 -0.786 -18.163 6.199 1.00 0.00 O ATOM 0 H ASP A 24 -1.494 -14.072 4.498 1.00 0.00 H new ATOM 0 HA ASP A 24 0.828 -15.585 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.396 -16.391 3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.020 -17.369 3.957 1.00 0.00 H new ATOM 345 N MET A 25 1.444 -13.684 3.561 1.00 0.00 N ATOM 346 CA MET A 25 2.240 -13.138 2.468 1.00 0.00 C ATOM 347 C MET A 25 3.723 -13.130 2.826 1.00 0.00 C ATOM 348 O MET A 25 4.097 -12.825 3.959 1.00 0.00 O ATOM 349 CB MET A 25 1.777 -11.720 2.130 1.00 0.00 C ATOM 350 CG MET A 25 1.302 -10.931 3.340 1.00 0.00 C ATOM 351 SD MET A 25 1.475 -9.150 3.120 1.00 0.00 S ATOM 352 CE MET A 25 2.708 -8.774 4.364 1.00 0.00 C ATOM 0 H MET A 25 1.302 -13.042 4.341 1.00 0.00 H new ATOM 0 HA MET A 25 2.099 -13.776 1.595 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.598 -11.182 1.655 1.00 0.00 H new ATOM 0 HB3 MET A 25 0.968 -11.775 1.402 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.257 -11.169 3.536 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.870 -11.242 4.217 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.225 -8.321 5.230 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.210 -9.692 4.668 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.440 -8.079 3.952 1.00 0.00 H new ATOM 362 N THR A 26 4.564 -13.467 1.854 1.00 0.00 N ATOM 363 CA THR A 26 6.006 -13.500 2.068 1.00 0.00 C ATOM 364 C THR A 26 6.709 -12.434 1.236 1.00 0.00 C ATOM 365 O THR A 26 6.207 -11.985 0.205 1.00 0.00 O ATOM 366 CB THR A 26 6.594 -14.880 1.717 1.00 0.00 C ATOM 367 OG1 THR A 26 6.298 -15.207 0.355 1.00 0.00 O ATOM 368 CG2 THR A 26 6.036 -15.956 2.636 1.00 0.00 C ATOM 0 H THR A 26 4.272 -13.721 0.910 1.00 0.00 H new ATOM 0 HA THR A 26 6.174 -13.300 3.126 1.00 0.00 H new ATOM 0 HB THR A 26 7.675 -14.835 1.852 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.677 -16.085 0.140 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.466 -16.921 2.369 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.290 -15.719 3.669 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.952 -15.999 2.529 1.00 0.00 H new ATOM 376 N PRO A 27 7.900 -12.017 1.691 1.00 0.00 N ATOM 377 CA PRO A 27 8.699 -10.999 1.002 1.00 0.00 C ATOM 378 C PRO A 27 8.824 -11.273 -0.492 1.00 0.00 C ATOM 379 O PRO A 27 8.393 -10.470 -1.320 1.00 0.00 O ATOM 380 CB PRO A 27 10.067 -11.102 1.681 1.00 0.00 C ATOM 381 CG PRO A 27 9.776 -11.645 3.038 1.00 0.00 C ATOM 382 CD PRO A 27 8.559 -12.508 2.913 1.00 0.00 C ATOM 0 HA PRO A 27 8.246 -10.010 1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.736 -11.760 1.126 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.554 -10.129 1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.622 -12.223 3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.604 -10.836 3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.824 -13.562 2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.910 -12.412 3.783 1.00 0.00 H new ATOM 390 N THR A 28 9.416 -12.414 -0.832 1.00 0.00 N ATOM 391 CA THR A 28 9.599 -12.794 -2.228 1.00 0.00 C ATOM 392 C THR A 28 8.298 -12.655 -3.010 1.00 0.00 C ATOM 393 O THR A 28 8.308 -12.327 -4.197 1.00 0.00 O ATOM 394 CB THR A 28 10.107 -14.243 -2.353 1.00 0.00 C ATOM 395 OG1 THR A 28 11.356 -14.385 -1.667 1.00 0.00 O ATOM 396 CG2 THR A 28 10.278 -14.631 -3.814 1.00 0.00 C ATOM 0 H THR A 28 9.777 -13.091 -0.160 1.00 0.00 H new ATOM 0 HA THR A 28 10.345 -12.118 -2.645 1.00 0.00 H new ATOM 0 HB THR A 28 9.368 -14.905 -1.901 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.671 -15.309 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.637 -15.658 -3.878 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.320 -14.549 -4.327 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.000 -13.964 -4.286 1.00 0.00 H new ATOM 404 N LEU A 29 7.179 -12.904 -2.338 1.00 0.00 N ATOM 405 CA LEU A 29 5.868 -12.806 -2.971 1.00 0.00 C ATOM 406 C LEU A 29 5.555 -11.362 -3.353 1.00 0.00 C ATOM 407 O LEU A 29 5.148 -11.082 -4.481 1.00 0.00 O ATOM 408 CB LEU A 29 4.786 -13.344 -2.034 1.00 0.00 C ATOM 409 CG LEU A 29 3.448 -13.694 -2.685 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.618 -14.571 -1.761 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.685 -12.430 -3.051 1.00 0.00 C ATOM 0 H LEU A 29 7.153 -13.175 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 29 5.884 -13.408 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.172 -14.236 -1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.606 -12.602 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 29 3.647 -14.252 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.669 -14.810 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.160 -15.493 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.429 -14.040 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.735 -12.699 -3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.497 -11.845 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.275 -11.839 -3.752 1.00 0.00 H new ATOM 423 N LEU A 30 5.750 -10.450 -2.407 1.00 0.00 N ATOM 424 CA LEU A 30 5.490 -9.034 -2.644 1.00 0.00 C ATOM 425 C LEU A 30 6.353 -8.507 -3.786 1.00 0.00 C ATOM 426 O LEU A 30 5.972 -7.564 -4.480 1.00 0.00 O ATOM 427 CB LEU A 30 5.758 -8.227 -1.373 1.00 0.00 C ATOM 428 CG LEU A 30 5.167 -8.793 -0.081 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.381 -7.826 1.072 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.685 -9.093 -0.260 1.00 0.00 C ATOM 0 H LEU A 30 6.087 -10.665 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 30 4.442 -8.923 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.837 -8.135 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.367 -7.220 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 30 5.681 -9.725 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.954 -8.246 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.449 -7.661 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.894 -6.877 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.280 -9.495 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.157 -8.175 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.556 -9.824 -1.058 1.00 0.00 H new ATOM 442 N ARG A 31 7.515 -9.123 -3.976 1.00 0.00 N ATOM 443 CA ARG A 31 8.431 -8.716 -5.035 1.00 0.00 C ATOM 444 C ARG A 31 7.801 -8.923 -6.409 1.00 0.00 C ATOM 445 O ARG A 31 7.972 -8.105 -7.312 1.00 0.00 O ATOM 446 CB ARG A 31 9.739 -9.504 -4.938 1.00 0.00 C ATOM 447 CG ARG A 31 10.724 -8.928 -3.934 1.00 0.00 C ATOM 448 CD ARG A 31 12.103 -9.551 -4.087 1.00 0.00 C ATOM 449 NE ARG A 31 12.895 -8.881 -5.115 1.00 0.00 N ATOM 450 CZ ARG A 31 12.906 -9.250 -6.391 1.00 0.00 C ATOM 451 NH1 ARG A 31 12.172 -10.278 -6.793 1.00 0.00 N ATOM 452 NH2 ARG A 31 13.653 -8.590 -7.267 1.00 0.00 N ATOM 0 H ARG A 31 7.844 -9.905 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 31 8.644 -7.654 -4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.513 -10.534 -4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.210 -9.533 -5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.794 -7.849 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.356 -9.099 -2.922 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.630 -9.503 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.998 -10.606 -4.340 1.00 0.00 H new ATOM 0 HE ARG A 31 13.471 -8.086 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.597 -10.788 -6.122 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.182 -10.559 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.219 -7.799 -6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.661 -8.874 -8.247 1.00 0.00 H new ATOM 466 N GLY A 32 7.070 -10.024 -6.560 1.00 0.00 N ATOM 467 CA GLY A 32 6.426 -10.319 -7.826 1.00 0.00 C ATOM 468 C GLY A 32 5.004 -9.799 -7.888 1.00 0.00 C ATOM 469 O GLY A 32 4.390 -9.776 -8.955 1.00 0.00 O ATOM 0 H GLY A 32 6.913 -10.716 -5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.006 -9.878 -8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.423 -11.397 -7.986 1.00 0.00 H new ATOM 473 N ALA A 33 4.478 -9.381 -6.742 1.00 0.00 N ATOM 474 CA ALA A 33 3.119 -8.858 -6.670 1.00 0.00 C ATOM 475 C ALA A 33 3.111 -7.336 -6.767 1.00 0.00 C ATOM 476 O ALA A 33 2.158 -6.741 -7.270 1.00 0.00 O ATOM 477 CB ALA A 33 2.446 -9.311 -5.383 1.00 0.00 C ATOM 0 H ALA A 33 4.972 -9.394 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 33 2.559 -9.253 -7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.432 -8.913 -5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.410 -10.400 -5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.013 -8.945 -4.527 1.00 0.00 H new ATOM 483 N PHE A 34 4.178 -6.711 -6.279 1.00 0.00 N ATOM 484 CA PHE A 34 4.293 -5.257 -6.309 1.00 0.00 C ATOM 485 C PHE A 34 5.105 -4.801 -7.517 1.00 0.00 C ATOM 486 O PHE A 34 4.983 -3.661 -7.966 1.00 0.00 O ATOM 487 CB PHE A 34 4.944 -4.750 -5.021 1.00 0.00 C ATOM 488 CG PHE A 34 4.035 -4.807 -3.827 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.606 -6.024 -3.323 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.610 -3.642 -3.207 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.769 -6.079 -2.225 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.773 -3.691 -2.108 1.00 0.00 C ATOM 493 CZ PHE A 34 2.353 -4.911 -1.616 1.00 0.00 C ATOM 0 H PHE A 34 4.975 -7.188 -5.858 1.00 0.00 H new ATOM 0 HA PHE A 34 3.290 -4.839 -6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.836 -5.342 -4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.271 -3.721 -5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.930 -6.941 -3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.937 -2.685 -3.587 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.440 -7.034 -1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.448 -2.776 -1.635 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.700 -4.952 -0.756 1.00 0.00 H new ATOM 503 N SER A 35 5.934 -5.699 -8.039 1.00 0.00 N ATOM 504 CA SER A 35 6.770 -5.387 -9.193 1.00 0.00 C ATOM 505 C SER A 35 5.922 -4.891 -10.360 1.00 0.00 C ATOM 506 O SER A 35 6.240 -3.897 -11.013 1.00 0.00 O ATOM 507 CB SER A 35 7.570 -6.620 -9.617 1.00 0.00 C ATOM 508 OG SER A 35 7.772 -6.640 -11.019 1.00 0.00 O ATOM 0 H SER A 35 6.045 -6.648 -7.682 1.00 0.00 H new ATOM 0 HA SER A 35 7.461 -4.594 -8.907 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.534 -6.625 -9.108 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.042 -7.523 -9.310 1.00 0.00 H new ATOM 0 HG SER A 35 8.287 -7.437 -11.264 1.00 0.00 H new ATOM 514 N PRO A 36 4.816 -5.601 -10.631 1.00 0.00 N ATOM 515 CA PRO A 36 3.899 -5.252 -11.720 1.00 0.00 C ATOM 516 C PRO A 36 3.533 -3.772 -11.718 1.00 0.00 C ATOM 517 O PRO A 36 3.149 -3.216 -12.747 1.00 0.00 O ATOM 518 CB PRO A 36 2.664 -6.109 -11.430 1.00 0.00 C ATOM 519 CG PRO A 36 3.182 -7.275 -10.662 1.00 0.00 C ATOM 520 CD PRO A 36 4.376 -6.797 -9.894 1.00 0.00 C ATOM 0 HA PRO A 36 4.341 -5.433 -12.700 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.923 -5.554 -10.854 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.178 -6.427 -12.352 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.419 -7.662 -9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.456 -8.089 -11.334 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.118 -6.558 -8.862 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.158 -7.555 -9.859 1.00 0.00 H new ATOM 528 N PHE A 37 3.654 -3.139 -10.556 1.00 0.00 N ATOM 529 CA PHE A 37 3.336 -1.722 -10.421 1.00 0.00 C ATOM 530 C PHE A 37 4.558 -0.859 -10.719 1.00 0.00 C ATOM 531 O PHE A 37 4.442 0.225 -11.289 1.00 0.00 O ATOM 532 CB PHE A 37 2.820 -1.426 -9.011 1.00 0.00 C ATOM 533 CG PHE A 37 1.468 -2.017 -8.731 1.00 0.00 C ATOM 534 CD1 PHE A 37 0.313 -1.319 -9.047 1.00 0.00 C ATOM 535 CD2 PHE A 37 1.352 -3.271 -8.153 1.00 0.00 C ATOM 536 CE1 PHE A 37 -0.932 -1.861 -8.789 1.00 0.00 C ATOM 537 CE2 PHE A 37 0.109 -3.818 -7.894 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.034 -3.112 -8.213 1.00 0.00 C ATOM 0 H PHE A 37 3.970 -3.584 -9.694 1.00 0.00 H new ATOM 0 HA PHE A 37 2.557 -1.480 -11.144 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.534 -1.811 -8.283 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.772 -0.346 -8.870 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.387 -0.341 -9.500 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.243 -3.827 -7.902 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.825 -1.306 -9.038 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.032 -4.796 -7.443 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.006 -3.537 -8.012 1.00 0.00 H new ATOM 548 N GLY A 38 5.731 -1.348 -10.328 1.00 0.00 N ATOM 549 CA GLY A 38 6.958 -0.609 -10.560 1.00 0.00 C ATOM 550 C GLY A 38 8.181 -1.336 -10.035 1.00 0.00 C ATOM 551 O GLY A 38 8.158 -2.552 -9.855 1.00 0.00 O ATOM 0 H GLY A 38 5.853 -2.243 -9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.075 -0.432 -11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.886 0.368 -10.081 1.00 0.00 H new ATOM 555 N ASN A 39 9.251 -0.587 -9.789 1.00 0.00 N ATOM 556 CA ASN A 39 10.490 -1.168 -9.283 1.00 0.00 C ATOM 557 C ASN A 39 10.569 -1.043 -7.765 1.00 0.00 C ATOM 558 O ASN A 39 10.237 -0.001 -7.200 1.00 0.00 O ATOM 559 CB ASN A 39 11.698 -0.484 -9.926 1.00 0.00 C ATOM 560 CG ASN A 39 13.004 -1.174 -9.582 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.133 -2.390 -9.725 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.980 -0.399 -9.125 1.00 0.00 N ATOM 0 H ASN A 39 9.285 0.422 -9.932 1.00 0.00 H new ATOM 0 HA ASN A 39 10.499 -2.226 -9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.571 -0.471 -11.009 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.741 0.554 -9.598 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.881 -0.807 -8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.829 0.605 -9.022 1.00 0.00 H new ATOM 569 N ILE A 40 11.010 -2.112 -7.111 1.00 0.00 N ATOM 570 CA ILE A 40 11.134 -2.122 -5.659 1.00 0.00 C ATOM 571 C ILE A 40 12.576 -1.872 -5.228 1.00 0.00 C ATOM 572 O ILE A 40 13.454 -2.705 -5.453 1.00 0.00 O ATOM 573 CB ILE A 40 10.656 -3.458 -5.061 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.182 -3.694 -5.397 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.871 -3.472 -3.555 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.699 -5.085 -5.053 1.00 0.00 C ATOM 0 H ILE A 40 11.287 -2.983 -7.564 1.00 0.00 H new ATOM 0 HA ILE A 40 10.500 -1.318 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 40 11.243 -4.266 -5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.574 -2.964 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.028 -3.517 -6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.528 -4.423 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.932 -3.345 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.308 -2.658 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.646 -5.181 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.281 -5.820 -5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.821 -5.258 -3.984 1.00 0.00 H new ATOM 588 N ILE A 41 12.811 -0.721 -4.608 1.00 0.00 N ATOM 589 CA ILE A 41 14.146 -0.363 -4.144 1.00 0.00 C ATOM 590 C ILE A 41 14.297 -0.627 -2.649 1.00 0.00 C ATOM 591 O ILE A 41 15.410 -0.763 -2.142 1.00 0.00 O ATOM 592 CB ILE A 41 14.462 1.118 -4.427 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.259 1.995 -4.075 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.855 1.306 -5.884 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.540 3.477 -4.183 1.00 0.00 C ATOM 0 H ILE A 41 12.095 -0.021 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 41 14.850 -0.988 -4.694 1.00 0.00 H new ATOM 0 HB ILE A 41 15.303 1.421 -3.803 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.429 1.742 -4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.939 1.767 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.075 2.357 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.738 0.706 -6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 41 14.033 0.989 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.643 4.038 -3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.348 3.745 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.831 3.719 -5.205 1.00 0.00 H new ATOM 607 N ASP A 42 13.170 -0.700 -1.950 1.00 0.00 N ATOM 608 CA ASP A 42 13.176 -0.951 -0.514 1.00 0.00 C ATOM 609 C ASP A 42 11.956 -1.769 -0.100 1.00 0.00 C ATOM 610 O ASP A 42 10.836 -1.258 -0.064 1.00 0.00 O ATOM 611 CB ASP A 42 13.205 0.371 0.256 1.00 0.00 C ATOM 612 CG ASP A 42 13.810 0.222 1.638 1.00 0.00 C ATOM 613 OD1 ASP A 42 15.048 0.088 1.731 1.00 0.00 O ATOM 614 OD2 ASP A 42 13.047 0.240 2.626 1.00 0.00 O ATOM 0 H ASP A 42 12.240 -0.589 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 42 14.072 -1.522 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.777 1.106 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.190 0.758 0.347 1.00 0.00 H new ATOM 619 N LEU A 43 12.182 -3.040 0.212 1.00 0.00 N ATOM 620 CA LEU A 43 11.101 -3.930 0.623 1.00 0.00 C ATOM 621 C LEU A 43 11.442 -4.631 1.934 1.00 0.00 C ATOM 622 O LEU A 43 12.386 -5.419 2.001 1.00 0.00 O ATOM 623 CB LEU A 43 10.826 -4.967 -0.467 1.00 0.00 C ATOM 624 CG LEU A 43 10.084 -6.228 -0.022 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.859 -5.863 0.803 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.686 -7.067 -1.228 1.00 0.00 C ATOM 0 H LEU A 43 13.103 -3.478 0.188 1.00 0.00 H new ATOM 0 HA LEU A 43 10.206 -3.328 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.247 -4.489 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.778 -5.266 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 43 10.754 -6.820 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.343 -6.773 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.168 -5.305 1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.186 -5.250 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.159 -7.960 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.034 -6.484 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.580 -7.359 -1.779 1.00 0.00 H new ATOM 638 N SER A 44 10.666 -4.341 2.973 1.00 0.00 N ATOM 639 CA SER A 44 10.887 -4.943 4.283 1.00 0.00 C ATOM 640 C SER A 44 9.643 -5.691 4.753 1.00 0.00 C ATOM 641 O SER A 44 8.519 -5.326 4.410 1.00 0.00 O ATOM 642 CB SER A 44 11.266 -3.868 5.304 1.00 0.00 C ATOM 643 OG SER A 44 11.598 -4.447 6.554 1.00 0.00 O ATOM 0 H SER A 44 9.879 -3.693 2.934 1.00 0.00 H new ATOM 0 HA SER A 44 11.707 -5.656 4.195 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.112 -3.290 4.931 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.436 -3.173 5.430 1.00 0.00 H new ATOM 0 HG SER A 44 11.838 -3.740 7.189 1.00 0.00 H new ATOM 649 N MET A 45 9.854 -6.740 5.541 1.00 0.00 N ATOM 650 CA MET A 45 8.751 -7.540 6.061 1.00 0.00 C ATOM 651 C MET A 45 8.924 -7.801 7.554 1.00 0.00 C ATOM 652 O MET A 45 10.034 -8.048 8.025 1.00 0.00 O ATOM 653 CB MET A 45 8.656 -8.868 5.307 1.00 0.00 C ATOM 654 CG MET A 45 7.755 -8.809 4.084 1.00 0.00 C ATOM 655 SD MET A 45 6.038 -9.205 4.466 1.00 0.00 S ATOM 656 CE MET A 45 5.655 -10.358 3.150 1.00 0.00 C ATOM 0 H MET A 45 10.779 -7.056 5.834 1.00 0.00 H new ATOM 0 HA MET A 45 7.828 -6.979 5.913 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.656 -9.173 4.997 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.284 -9.636 5.985 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.805 -7.811 3.648 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.125 -9.505 3.331 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.595 -10.291 2.905 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.248 -10.114 2.268 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.889 -11.372 3.475 1.00 0.00 H new ATOM 666 N ASP A 46 7.820 -7.744 8.291 1.00 0.00 N ATOM 667 CA ASP A 46 7.850 -7.975 9.731 1.00 0.00 C ATOM 668 C ASP A 46 6.777 -8.977 10.143 1.00 0.00 C ATOM 669 O ASP A 46 5.616 -8.627 10.358 1.00 0.00 O ATOM 670 CB ASP A 46 7.653 -6.659 10.484 1.00 0.00 C ATOM 671 CG ASP A 46 8.839 -5.725 10.338 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.831 -5.907 11.075 1.00 0.00 O ATOM 673 OD2 ASP A 46 8.774 -4.812 9.489 1.00 0.00 O ATOM 0 H ASP A 46 6.894 -7.540 7.916 1.00 0.00 H new ATOM 0 HA ASP A 46 8.825 -8.389 9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.756 -6.163 10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.488 -6.870 11.541 1.00 0.00 H new ATOM 678 N PRO A 47 7.170 -10.254 10.255 1.00 0.00 N ATOM 679 CA PRO A 47 6.256 -11.334 10.641 1.00 0.00 C ATOM 680 C PRO A 47 5.424 -10.977 11.868 1.00 0.00 C ATOM 681 O PRO A 47 4.220 -11.229 11.926 1.00 0.00 O ATOM 682 CB PRO A 47 7.197 -12.500 10.954 1.00 0.00 C ATOM 683 CG PRO A 47 8.417 -12.231 10.143 1.00 0.00 C ATOM 684 CD PRO A 47 8.538 -10.743 10.014 1.00 0.00 C ATOM 0 HA PRO A 47 5.530 -11.553 9.858 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.431 -12.545 12.018 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.746 -13.455 10.686 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.301 -12.649 10.625 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.338 -12.698 9.161 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.242 -10.335 10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.897 -10.456 9.026 1.00 0.00 H new ATOM 692 N PRO A 48 6.077 -10.376 12.873 1.00 0.00 N ATOM 693 CA PRO A 48 5.416 -9.970 14.117 1.00 0.00 C ATOM 694 C PRO A 48 4.118 -9.210 13.863 1.00 0.00 C ATOM 695 O PRO A 48 3.045 -9.634 14.291 1.00 0.00 O ATOM 696 CB PRO A 48 6.447 -9.059 14.787 1.00 0.00 C ATOM 697 CG PRO A 48 7.760 -9.517 14.252 1.00 0.00 C ATOM 698 CD PRO A 48 7.512 -10.044 12.873 1.00 0.00 C ATOM 0 HA PRO A 48 5.128 -10.829 14.724 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.265 -8.011 14.547 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.409 -9.149 15.873 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.474 -8.694 14.227 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.187 -10.291 14.889 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.750 -9.300 12.112 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.125 -10.921 12.664 1.00 0.00 H new ATOM 706 N ARG A 49 4.225 -8.085 13.163 1.00 0.00 N ATOM 707 CA ARG A 49 3.060 -7.266 12.852 1.00 0.00 C ATOM 708 C ARG A 49 2.414 -7.712 11.543 1.00 0.00 C ATOM 709 O ARG A 49 1.473 -7.085 11.059 1.00 0.00 O ATOM 710 CB ARG A 49 3.457 -5.791 12.760 1.00 0.00 C ATOM 711 CG ARG A 49 4.332 -5.323 13.911 1.00 0.00 C ATOM 712 CD ARG A 49 3.496 -4.847 15.089 1.00 0.00 C ATOM 713 NE ARG A 49 2.694 -3.674 14.752 1.00 0.00 N ATOM 714 CZ ARG A 49 1.977 -2.994 15.639 1.00 0.00 C ATOM 715 NH1 ARG A 49 1.963 -3.368 16.911 1.00 0.00 N ATOM 716 NH2 ARG A 49 1.273 -1.936 15.256 1.00 0.00 N ATOM 0 H ARG A 49 5.106 -7.720 12.801 1.00 0.00 H new ATOM 0 HA ARG A 49 2.335 -7.391 13.656 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.986 -5.624 11.822 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.554 -5.182 12.730 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.982 -6.138 14.230 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.979 -4.514 13.572 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.840 -5.653 15.417 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.152 -4.609 15.927 1.00 0.00 H new ATOM 0 HE ARG A 49 2.684 -3.360 13.782 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.504 -4.180 17.210 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.412 -2.844 17.591 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.282 -1.644 14.279 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.723 -1.415 15.939 1.00 0.00 H new ATOM 730 N ASN A 50 2.927 -8.800 10.977 1.00 0.00 N ATOM 731 CA ASN A 50 2.402 -9.329 9.724 1.00 0.00 C ATOM 732 C ASN A 50 2.236 -8.219 8.691 1.00 0.00 C ATOM 733 O ASN A 50 1.302 -8.239 7.888 1.00 0.00 O ATOM 734 CB ASN A 50 1.059 -10.024 9.963 1.00 0.00 C ATOM 735 CG ASN A 50 0.960 -10.628 11.351 1.00 0.00 C ATOM 736 OD1 ASN A 50 0.609 -9.804 12.331 1.00 0.00 O flip ATOM 737 ND2 ASN A 50 1.196 -11.822 11.538 1.00 0.00 N flip ATOM 0 H ASN A 50 3.705 -9.332 11.366 1.00 0.00 H new ATOM 0 HA ASN A 50 3.117 -10.056 9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.251 -9.306 9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.921 -10.807 9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.463 -12.418 10.754 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.125 -12.215 12.477 1.00 0.00 H new ATOM 744 N CYS A 51 3.147 -7.253 8.718 1.00 0.00 N ATOM 745 CA CYS A 51 3.102 -6.134 7.784 1.00 0.00 C ATOM 746 C CYS A 51 4.423 -5.999 7.033 1.00 0.00 C ATOM 747 O CYS A 51 5.347 -6.786 7.235 1.00 0.00 O ATOM 748 CB CYS A 51 2.789 -4.834 8.527 1.00 0.00 C ATOM 749 SG CYS A 51 4.198 -4.137 9.421 1.00 0.00 S ATOM 0 H CYS A 51 3.926 -7.222 9.376 1.00 0.00 H new ATOM 0 HA CYS A 51 2.311 -6.329 7.060 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.426 -4.097 7.811 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.979 -5.018 9.233 1.00 0.00 H new ATOM 0 HG CYS A 51 3.835 -3.039 10.015 1.00 0.00 H new ATOM 755 N ALA A 52 4.504 -4.996 6.164 1.00 0.00 N ATOM 756 CA ALA A 52 5.711 -4.758 5.383 1.00 0.00 C ATOM 757 C ALA A 52 5.741 -3.333 4.840 1.00 0.00 C ATOM 758 O ALA A 52 4.746 -2.611 4.908 1.00 0.00 O ATOM 759 CB ALA A 52 5.809 -5.761 4.244 1.00 0.00 C ATOM 0 H ALA A 52 3.748 -4.336 5.984 1.00 0.00 H new ATOM 0 HA ALA A 52 6.571 -4.887 6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.715 -5.571 3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.842 -6.772 4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.940 -5.660 3.594 1.00 0.00 H new ATOM 765 N PHE A 53 6.889 -2.934 4.302 1.00 0.00 N ATOM 766 CA PHE A 53 7.049 -1.594 3.748 1.00 0.00 C ATOM 767 C PHE A 53 7.745 -1.646 2.391 1.00 0.00 C ATOM 768 O PHE A 53 8.963 -1.808 2.311 1.00 0.00 O ATOM 769 CB PHE A 53 7.849 -0.714 4.711 1.00 0.00 C ATOM 770 CG PHE A 53 7.417 -0.846 6.144 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.344 -0.115 6.627 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.084 -1.700 7.006 1.00 0.00 C ATOM 773 CE1 PHE A 53 5.943 -0.234 7.945 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.688 -1.824 8.325 1.00 0.00 C ATOM 775 CZ PHE A 53 6.617 -1.089 8.795 1.00 0.00 C ATOM 0 H PHE A 53 7.722 -3.519 4.238 1.00 0.00 H new ATOM 0 HA PHE A 53 6.057 -1.163 3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.905 -0.971 4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.751 0.328 4.405 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.815 0.556 5.966 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.923 -2.276 6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.104 0.341 8.309 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.215 -2.495 8.987 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.307 -1.183 9.825 1.00 0.00 H new ATOM 785 N VAL A 54 6.962 -1.508 1.326 1.00 0.00 N ATOM 786 CA VAL A 54 7.501 -1.539 -0.028 1.00 0.00 C ATOM 787 C VAL A 54 7.656 -0.130 -0.590 1.00 0.00 C ATOM 788 O VAL A 54 6.742 0.690 -0.502 1.00 0.00 O ATOM 789 CB VAL A 54 6.602 -2.359 -0.972 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.177 -2.371 -2.380 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.431 -3.776 -0.445 1.00 0.00 C ATOM 0 H VAL A 54 5.952 -1.374 1.375 1.00 0.00 H new ATOM 0 HA VAL A 54 8.480 -2.014 0.033 1.00 0.00 H new ATOM 0 HB VAL A 54 5.620 -1.889 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.528 -2.955 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.244 -1.350 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.171 -2.817 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.793 -4.342 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.406 -4.259 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.971 -3.744 0.543 1.00 0.00 H new ATOM 801 N THR A 55 8.821 0.146 -1.168 1.00 0.00 N ATOM 802 CA THR A 55 9.098 1.456 -1.743 1.00 0.00 C ATOM 803 C THR A 55 9.272 1.367 -3.255 1.00 0.00 C ATOM 804 O THR A 55 9.906 0.441 -3.763 1.00 0.00 O ATOM 805 CB THR A 55 10.362 2.085 -1.129 1.00 0.00 C ATOM 806 OG1 THR A 55 10.271 2.071 0.300 1.00 0.00 O ATOM 807 CG2 THR A 55 10.548 3.514 -1.616 1.00 0.00 C ATOM 0 H THR A 55 9.588 -0.521 -1.250 1.00 0.00 H new ATOM 0 HA THR A 55 8.240 2.088 -1.515 1.00 0.00 H new ATOM 0 HB THR A 55 11.223 1.496 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.997 2.609 0.679 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.447 3.937 -1.168 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.646 3.519 -2.702 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.684 4.112 -1.328 1.00 0.00 H new ATOM 815 N TYR A 56 8.707 2.334 -3.969 1.00 0.00 N ATOM 816 CA TYR A 56 8.799 2.363 -5.424 1.00 0.00 C ATOM 817 C TYR A 56 9.769 3.446 -5.887 1.00 0.00 C ATOM 818 O TYR A 56 9.813 4.537 -5.321 1.00 0.00 O ATOM 819 CB TYR A 56 7.419 2.602 -6.039 1.00 0.00 C ATOM 820 CG TYR A 56 6.524 1.384 -6.010 1.00 0.00 C ATOM 821 CD1 TYR A 56 7.007 0.134 -6.378 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.195 1.482 -5.617 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.193 -0.982 -6.354 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.374 0.371 -5.589 1.00 0.00 C ATOM 825 CZ TYR A 56 4.878 -0.858 -5.958 1.00 0.00 C ATOM 826 OH TYR A 56 4.063 -1.967 -5.933 1.00 0.00 O ATOM 0 H TYR A 56 8.180 3.108 -3.564 1.00 0.00 H new ATOM 0 HA TYR A 56 9.176 1.396 -5.758 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.928 3.416 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.542 2.927 -7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.037 0.033 -6.688 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.797 2.443 -5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.584 -1.946 -6.644 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.343 0.465 -5.280 1.00 0.00 H new ATOM 0 HH TYR A 56 4.391 -2.629 -6.577 1.00 0.00 H new ATOM 836 N GLU A 57 10.543 3.134 -6.922 1.00 0.00 N ATOM 837 CA GLU A 57 11.513 4.080 -7.461 1.00 0.00 C ATOM 838 C GLU A 57 10.847 5.413 -7.791 1.00 0.00 C ATOM 839 O GLU A 57 11.504 6.453 -7.841 1.00 0.00 O ATOM 840 CB GLU A 57 12.176 3.506 -8.715 1.00 0.00 C ATOM 841 CG GLU A 57 12.983 4.527 -9.499 1.00 0.00 C ATOM 842 CD GLU A 57 13.702 3.916 -10.686 1.00 0.00 C ATOM 843 OE1 GLU A 57 13.075 3.791 -11.759 1.00 0.00 O ATOM 844 OE2 GLU A 57 14.891 3.562 -10.542 1.00 0.00 O ATOM 0 H GLU A 57 10.517 2.235 -7.403 1.00 0.00 H new ATOM 0 HA GLU A 57 12.275 4.252 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.830 2.683 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.406 3.088 -9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.319 5.318 -9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.713 4.993 -8.837 1.00 0.00 H new ATOM 851 N LYS A 58 9.538 5.374 -8.015 1.00 0.00 N ATOM 852 CA LYS A 58 8.781 6.577 -8.340 1.00 0.00 C ATOM 853 C LYS A 58 7.608 6.757 -7.381 1.00 0.00 C ATOM 854 O LYS A 58 7.207 5.818 -6.694 1.00 0.00 O ATOM 855 CB LYS A 58 8.269 6.510 -9.780 1.00 0.00 C ATOM 856 CG LYS A 58 9.367 6.282 -10.805 1.00 0.00 C ATOM 857 CD LYS A 58 9.021 6.916 -12.143 1.00 0.00 C ATOM 858 CE LYS A 58 9.140 8.431 -12.089 1.00 0.00 C ATOM 859 NZ LYS A 58 8.388 9.086 -13.195 1.00 0.00 N ATOM 0 H LYS A 58 8.979 4.522 -7.977 1.00 0.00 H new ATOM 0 HA LYS A 58 9.447 7.433 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.537 5.707 -9.860 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.750 7.439 -10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.304 6.699 -10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.525 5.212 -10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.684 6.525 -12.914 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.005 6.640 -12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.764 8.791 -11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.191 8.715 -12.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.263 10.096 -12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.919 8.985 -14.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.456 8.636 -13.295 1.00 0.00 H new ATOM 873 N MET A 59 7.063 7.968 -7.341 1.00 0.00 N ATOM 874 CA MET A 59 5.934 8.269 -6.468 1.00 0.00 C ATOM 875 C MET A 59 4.620 7.831 -7.107 1.00 0.00 C ATOM 876 O MET A 59 3.669 7.479 -6.411 1.00 0.00 O ATOM 877 CB MET A 59 5.888 9.766 -6.156 1.00 0.00 C ATOM 878 CG MET A 59 5.882 10.646 -7.396 1.00 0.00 C ATOM 879 SD MET A 59 5.315 12.323 -7.056 1.00 0.00 S ATOM 880 CE MET A 59 3.591 12.200 -7.528 1.00 0.00 C ATOM 0 H MET A 59 7.384 8.757 -7.902 1.00 0.00 H new ATOM 0 HA MET A 59 6.068 7.715 -5.539 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.997 9.978 -5.566 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.748 10.027 -5.540 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.888 10.685 -7.814 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.239 10.196 -8.153 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.102 13.162 -7.374 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.521 11.921 -8.579 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.100 11.442 -6.918 1.00 0.00 H new ATOM 890 N GLU A 60 4.576 7.855 -8.435 1.00 0.00 N ATOM 891 CA GLU A 60 3.378 7.460 -9.166 1.00 0.00 C ATOM 892 C GLU A 60 2.936 6.055 -8.770 1.00 0.00 C ATOM 893 O GLU A 60 1.749 5.798 -8.573 1.00 0.00 O ATOM 894 CB GLU A 60 3.630 7.521 -10.674 1.00 0.00 C ATOM 895 CG GLU A 60 4.736 6.591 -11.144 1.00 0.00 C ATOM 896 CD GLU A 60 4.838 6.524 -12.656 1.00 0.00 C ATOM 897 OE1 GLU A 60 5.500 7.404 -13.244 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.258 5.592 -13.250 1.00 0.00 O ATOM 0 H GLU A 60 5.355 8.144 -9.026 1.00 0.00 H new ATOM 0 HA GLU A 60 2.581 8.158 -8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.708 7.270 -11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.885 8.544 -10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.688 6.928 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.556 5.590 -10.751 1.00 0.00 H new ATOM 905 N SER A 61 3.902 5.148 -8.656 1.00 0.00 N ATOM 906 CA SER A 61 3.613 3.767 -8.287 1.00 0.00 C ATOM 907 C SER A 61 3.042 3.689 -6.875 1.00 0.00 C ATOM 908 O SER A 61 2.162 2.876 -6.593 1.00 0.00 O ATOM 909 CB SER A 61 4.881 2.916 -8.384 1.00 0.00 C ATOM 910 OG SER A 61 5.399 2.921 -9.703 1.00 0.00 O ATOM 0 H SER A 61 4.890 5.345 -8.814 1.00 0.00 H new ATOM 0 HA SER A 61 2.869 3.379 -8.982 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.633 3.298 -7.693 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.660 1.893 -8.081 1.00 0.00 H new ATOM 0 HG SER A 61 5.123 2.103 -10.166 1.00 0.00 H new ATOM 916 N ALA A 62 3.549 4.542 -5.990 1.00 0.00 N ATOM 917 CA ALA A 62 3.088 4.573 -4.608 1.00 0.00 C ATOM 918 C ALA A 62 1.568 4.670 -4.537 1.00 0.00 C ATOM 919 O ALA A 62 0.913 3.845 -3.900 1.00 0.00 O ATOM 920 CB ALA A 62 3.728 5.736 -3.864 1.00 0.00 C ATOM 0 H ALA A 62 4.279 5.221 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 62 3.389 3.640 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.375 5.747 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.812 5.622 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.456 6.673 -4.351 1.00 0.00 H new ATOM 926 N ASP A 63 1.014 5.682 -5.195 1.00 0.00 N ATOM 927 CA ASP A 63 -0.430 5.887 -5.207 1.00 0.00 C ATOM 928 C ASP A 63 -1.131 4.769 -5.973 1.00 0.00 C ATOM 929 O ASP A 63 -2.263 4.404 -5.658 1.00 0.00 O ATOM 930 CB ASP A 63 -0.770 7.241 -5.832 1.00 0.00 C ATOM 931 CG ASP A 63 -0.488 8.398 -4.894 1.00 0.00 C ATOM 932 OD1 ASP A 63 -0.972 8.361 -3.744 1.00 0.00 O ATOM 933 OD2 ASP A 63 0.216 9.342 -5.311 1.00 0.00 O ATOM 0 H ASP A 63 1.543 6.373 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.782 5.873 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.193 7.370 -6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.823 7.254 -6.114 1.00 0.00 H new ATOM 938 N GLN A 64 -0.450 4.231 -6.979 1.00 0.00 N ATOM 939 CA GLN A 64 -1.008 3.156 -7.791 1.00 0.00 C ATOM 940 C GLN A 64 -1.307 1.928 -6.937 1.00 0.00 C ATOM 941 O GLN A 64 -2.463 1.541 -6.772 1.00 0.00 O ATOM 942 CB GLN A 64 -0.043 2.786 -8.919 1.00 0.00 C ATOM 943 CG GLN A 64 -0.141 3.700 -10.129 1.00 0.00 C ATOM 944 CD GLN A 64 0.397 3.058 -11.391 1.00 0.00 C ATOM 945 OE1 GLN A 64 1.526 2.567 -11.419 1.00 0.00 O ATOM 946 NE2 GLN A 64 -0.409 3.057 -12.446 1.00 0.00 N ATOM 0 H GLN A 64 0.489 4.522 -7.252 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.943 3.510 -8.225 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.977 2.812 -8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.240 1.761 -9.232 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.183 3.980 -10.284 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.410 4.619 -9.930 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.337 3.475 -12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.100 2.638 -13.323 1.00 0.00 H new ATOM 955 N ALA A 65 -0.256 1.319 -6.397 1.00 0.00 N ATOM 956 CA ALA A 65 -0.406 0.136 -5.560 1.00 0.00 C ATOM 957 C ALA A 65 -1.498 0.338 -4.514 1.00 0.00 C ATOM 958 O ALA A 65 -2.459 -0.429 -4.449 1.00 0.00 O ATOM 959 CB ALA A 65 0.915 -0.205 -4.886 1.00 0.00 C ATOM 0 H ALA A 65 0.708 1.626 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.701 -0.696 -6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.788 -1.091 -4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.671 -0.401 -5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.233 0.632 -4.265 1.00 0.00 H new ATOM 965 N VAL A 66 -1.344 1.376 -3.697 1.00 0.00 N ATOM 966 CA VAL A 66 -2.317 1.679 -2.655 1.00 0.00 C ATOM 967 C VAL A 66 -3.722 1.801 -3.234 1.00 0.00 C ATOM 968 O VAL A 66 -4.711 1.767 -2.502 1.00 0.00 O ATOM 969 CB VAL A 66 -1.962 2.985 -1.919 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.185 3.549 -1.212 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.828 2.748 -0.933 1.00 0.00 C ATOM 0 H VAL A 66 -0.555 2.021 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.290 0.852 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.628 3.717 -2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.915 4.471 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.965 3.757 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.553 2.823 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.590 3.681 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.133 2.000 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.052 2.393 -1.469 1.00 0.00 H new ATOM 981 N ALA A 67 -3.803 1.943 -4.553 1.00 0.00 N ATOM 982 CA ALA A 67 -5.087 2.067 -5.231 1.00 0.00 C ATOM 983 C ALA A 67 -5.615 0.703 -5.661 1.00 0.00 C ATOM 984 O ALA A 67 -6.808 0.425 -5.545 1.00 0.00 O ATOM 985 CB ALA A 67 -4.962 2.990 -6.434 1.00 0.00 C ATOM 0 H ALA A 67 -2.994 1.975 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.800 2.498 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.929 3.073 -6.931 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.638 3.977 -6.103 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.230 2.582 -7.131 1.00 0.00 H new ATOM 991 N GLU A 68 -4.719 -0.144 -6.158 1.00 0.00 N ATOM 992 CA GLU A 68 -5.097 -1.479 -6.607 1.00 0.00 C ATOM 993 C GLU A 68 -4.804 -2.518 -5.529 1.00 0.00 C ATOM 994 O GLU A 68 -5.705 -3.221 -5.067 1.00 0.00 O ATOM 995 CB GLU A 68 -4.351 -1.839 -7.894 1.00 0.00 C ATOM 996 CG GLU A 68 -4.663 -0.913 -9.058 1.00 0.00 C ATOM 997 CD GLU A 68 -5.959 -1.273 -9.758 1.00 0.00 C ATOM 998 OE1 GLU A 68 -6.314 -2.470 -9.771 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.618 -0.357 -10.293 1.00 0.00 O ATOM 0 H GLU A 68 -3.727 0.070 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.169 -1.478 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.279 -1.817 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.603 -2.861 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.723 0.113 -8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.844 -0.950 -9.776 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.540 -2.611 -5.133 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.127 -3.565 -4.109 1.00 0.00 C ATOM 1008 C LEU A 69 -3.944 -3.384 -2.834 1.00 0.00 C ATOM 1009 O LEU A 69 -3.941 -4.245 -1.956 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.637 -3.400 -3.801 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.670 -3.971 -4.839 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.726 -4.104 -4.251 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.167 -5.317 -5.347 1.00 0.00 C ATOM 0 H LEU A 69 -2.783 -2.038 -5.505 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.304 -4.570 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.426 -2.337 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.430 -3.874 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.623 -3.282 -5.682 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.401 -4.512 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.083 -3.123 -3.937 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.696 -4.772 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.467 -5.709 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.244 -6.015 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.147 -5.193 -5.807 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.646 -2.259 -2.742 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.470 -1.965 -1.576 1.00 0.00 C ATOM 1027 C ASN A 70 -6.635 -2.945 -1.472 1.00 0.00 C ATOM 1028 O ASN A 70 -7.485 -3.011 -2.360 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.999 -0.531 -1.647 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.347 -0.378 -0.969 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.390 -0.630 -1.572 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.331 0.036 0.293 1.00 0.00 N ATOM 0 H ASN A 70 -4.660 -1.536 -3.461 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.848 -2.072 -0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.281 0.142 -1.178 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.084 -0.229 -2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.207 0.157 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.443 0.233 0.754 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.668 -3.704 -0.381 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.733 -4.669 -0.181 1.00 0.00 C ATOM 1041 C GLY A 71 -7.775 -5.721 -1.272 1.00 0.00 C ATOM 1042 O GLY A 71 -8.801 -6.367 -1.485 1.00 0.00 O ATOM 0 H GLY A 71 -5.976 -3.668 0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.600 -5.157 0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.690 -4.148 -0.146 1.00 0.00 H new ATOM 1046 N THR A 72 -6.655 -5.895 -1.968 1.00 0.00 N ATOM 1047 CA THR A 72 -6.568 -6.873 -3.044 1.00 0.00 C ATOM 1048 C THR A 72 -6.181 -8.247 -2.508 1.00 0.00 C ATOM 1049 O THR A 72 -5.543 -8.357 -1.462 1.00 0.00 O ATOM 1050 CB THR A 72 -5.543 -6.444 -4.112 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.876 -7.032 -5.374 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.136 -6.858 -3.709 1.00 0.00 C ATOM 0 H THR A 72 -5.796 -5.370 -1.805 1.00 0.00 H new ATOM 0 HA THR A 72 -7.556 -6.929 -3.501 1.00 0.00 H new ATOM 0 HB THR A 72 -5.574 -5.358 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.221 -6.753 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.430 -6.545 -4.478 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.875 -6.385 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.093 -7.941 -3.597 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.571 -9.291 -3.233 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.264 -10.658 -2.829 1.00 0.00 C ATOM 1062 C GLN A 73 -5.332 -11.326 -3.834 1.00 0.00 C ATOM 1063 O GLN A 73 -5.774 -11.826 -4.869 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.552 -11.472 -2.689 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.339 -12.845 -2.074 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.639 -13.509 -1.665 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.700 -12.884 -1.677 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -8.564 -14.784 -1.300 1.00 0.00 N ATOM 0 H GLN A 73 -7.100 -9.216 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.760 -10.621 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.260 -10.914 -2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.006 -11.590 -3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.819 -13.483 -2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.693 -12.752 -1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.664 -15.264 -1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.407 -15.283 -1.015 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.040 -11.331 -3.523 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.045 -11.939 -4.399 1.00 0.00 C ATOM 1079 C VAL A 74 -2.445 -13.189 -3.765 1.00 0.00 C ATOM 1080 O VAL A 74 -2.223 -13.237 -2.555 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.912 -10.951 -4.733 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.483 -9.593 -5.112 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.952 -10.826 -3.560 1.00 0.00 C ATOM 0 H VAL A 74 -3.657 -10.921 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.560 -12.214 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.357 -11.337 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.668 -8.908 -5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.128 -9.700 -5.985 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.063 -9.197 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.158 -10.124 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.492 -10.463 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.518 -11.801 -3.340 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.183 -14.198 -4.590 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.608 -15.448 -4.108 1.00 0.00 C ATOM 1095 C GLU A 75 -2.455 -16.040 -2.986 1.00 0.00 C ATOM 1096 O GLU A 75 -1.958 -16.794 -2.149 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.177 -15.221 -3.616 1.00 0.00 C ATOM 1098 CG GLU A 75 0.780 -14.778 -4.710 1.00 0.00 C ATOM 1099 CD GLU A 75 1.030 -15.862 -5.740 1.00 0.00 C ATOM 1100 OE1 GLU A 75 1.614 -16.904 -5.375 1.00 0.00 O ATOM 1101 OE2 GLU A 75 0.642 -15.670 -6.911 1.00 0.00 O ATOM 0 H GLU A 75 -2.360 -14.174 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.591 -16.154 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.188 -14.468 -2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.196 -16.143 -3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.375 -13.896 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.728 -14.483 -4.261 1.00 0.00 H new ATOM 1108 N SER A 76 -3.739 -15.693 -2.975 1.00 0.00 N ATOM 1109 CA SER A 76 -4.655 -16.186 -1.954 1.00 0.00 C ATOM 1110 C SER A 76 -4.417 -15.479 -0.623 1.00 0.00 C ATOM 1111 O SER A 76 -4.666 -16.039 0.444 1.00 0.00 O ATOM 1112 CB SER A 76 -4.491 -17.697 -1.778 1.00 0.00 C ATOM 1113 OG SER A 76 -4.323 -18.341 -3.029 1.00 0.00 O ATOM 0 H SER A 76 -4.167 -15.072 -3.662 1.00 0.00 H new ATOM 0 HA SER A 76 -5.673 -15.974 -2.281 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.630 -17.901 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.365 -18.104 -1.270 1.00 0.00 H new ATOM 0 HG SER A 76 -4.219 -19.305 -2.889 1.00 0.00 H new ATOM 1119 N VAL A 77 -3.933 -14.243 -0.695 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.661 -13.457 0.502 1.00 0.00 C ATOM 1121 C VAL A 77 -4.102 -12.009 0.321 1.00 0.00 C ATOM 1122 O VAL A 77 -3.582 -11.295 -0.536 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.164 -13.485 0.865 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -1.892 -12.611 2.079 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.703 -14.914 1.112 1.00 0.00 C ATOM 0 H VAL A 77 -3.721 -13.764 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.232 -13.909 1.313 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.597 -13.084 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.829 -12.644 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.183 -11.584 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.468 -12.978 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.643 -14.915 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.275 -15.344 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.860 -15.508 0.212 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.063 -11.583 1.134 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.574 -10.219 1.063 1.00 0.00 C ATOM 1137 C GLN A 78 -4.576 -9.232 1.660 1.00 0.00 C ATOM 1138 O GLN A 78 -4.436 -9.137 2.880 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.913 -10.115 1.795 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.115 -10.396 0.907 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.303 -10.925 1.685 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.310 -10.911 2.917 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.318 -11.396 0.969 1.00 0.00 N ATOM 0 H GLN A 78 -5.503 -12.162 1.849 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.722 -9.967 0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.917 -10.816 2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.010 -9.115 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.402 -9.480 0.390 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.835 -11.120 0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.270 -11.388 -0.050 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.145 -11.765 1.438 1.00 0.00 H new ATOM 1152 N LEU A 79 -3.885 -8.500 0.794 1.00 0.00 N ATOM 1153 CA LEU A 79 -2.899 -7.520 1.236 1.00 0.00 C ATOM 1154 C LEU A 79 -3.531 -6.139 1.382 1.00 0.00 C ATOM 1155 O LEU A 79 -4.488 -5.805 0.682 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.734 -7.458 0.246 1.00 0.00 C ATOM 1157 CG LEU A 79 -1.267 -8.796 -0.326 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.020 -8.619 -1.117 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -1.074 -9.815 0.789 1.00 0.00 C ATOM 0 H LEU A 79 -3.989 -8.566 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.524 -7.832 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.022 -6.812 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.888 -6.982 0.741 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.037 -9.168 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.337 -9.582 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.151 -7.924 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.797 -8.224 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.741 -10.762 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.324 -9.449 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.018 -9.965 1.313 1.00 0.00 H new ATOM 1171 N LYS A 80 -2.990 -5.340 2.294 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.497 -3.994 2.531 1.00 0.00 C ATOM 1173 C LYS A 80 -2.374 -2.966 2.446 1.00 0.00 C ATOM 1174 O LYS A 80 -1.526 -2.882 3.335 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.173 -3.915 3.902 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.223 -2.822 4.000 1.00 0.00 C ATOM 1177 CD LYS A 80 -6.295 -3.169 5.019 1.00 0.00 C ATOM 1178 CE LYS A 80 -5.898 -2.726 6.419 1.00 0.00 C ATOM 1179 NZ LYS A 80 -6.587 -3.525 7.470 1.00 0.00 N ATOM 0 H LYS A 80 -2.199 -5.602 2.882 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.231 -3.768 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.638 -4.875 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.412 -3.746 4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.746 -1.882 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.683 -2.670 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.234 -2.692 4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.470 -4.245 5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.819 -2.823 6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.139 -1.671 6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.887 -2.897 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.421 -3.992 7.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.935 -4.245 7.842 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.374 -2.183 1.371 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.356 -1.158 1.171 1.00 0.00 C ATOM 1195 C VAL A 81 -1.911 0.232 1.462 1.00 0.00 C ATOM 1196 O VAL A 81 -2.966 0.609 0.954 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.804 -1.188 -0.266 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.564 -0.525 -0.327 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.736 -2.618 -0.780 1.00 0.00 C ATOM 0 H VAL A 81 -3.068 -2.239 0.625 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.546 -1.376 1.868 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.482 -0.627 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.938 -0.556 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.480 0.512 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.255 -1.056 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.344 -2.621 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.081 -3.205 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.735 -3.054 -0.775 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.192 0.990 2.284 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.612 2.339 2.643 1.00 0.00 C ATOM 1211 C ASN A 82 -0.430 3.303 2.614 1.00 0.00 C ATOM 1212 O ASN A 82 0.661 2.977 3.082 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.255 2.343 4.031 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.719 1.951 3.992 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -4.055 0.779 3.818 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.599 2.932 4.154 1.00 0.00 N ATOM 0 H ASN A 82 -0.316 0.693 2.714 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.346 2.671 1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.715 1.654 4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.159 3.336 4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.598 2.729 4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.276 3.889 4.295 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.656 4.491 2.063 1.00 0.00 N ATOM 1224 CA ILE A 83 0.390 5.503 1.976 1.00 0.00 C ATOM 1225 C ILE A 83 0.800 5.991 3.361 1.00 0.00 C ATOM 1226 O ILE A 83 0.143 6.852 3.946 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.062 6.709 1.132 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -0.613 6.238 -0.216 1.00 0.00 C ATOM 1229 CG2 ILE A 83 1.093 7.677 0.929 1.00 0.00 C ATOM 1230 CD1 ILE A 83 0.464 5.861 -1.210 1.00 0.00 C ATOM 0 H ILE A 83 -1.553 4.776 1.670 1.00 0.00 H new ATOM 0 HA ILE A 83 1.245 5.031 1.492 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.857 7.230 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.263 5.378 -0.053 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.230 7.028 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.757 8.524 0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.444 8.033 1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.908 7.169 0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.001 5.537 -2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.101 6.725 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.067 5.049 -0.803 1.00 0.00 H new ATOM 1242 N ALA A 84 1.891 5.437 3.879 1.00 0.00 N ATOM 1243 CA ALA A 84 2.391 5.819 5.194 1.00 0.00 C ATOM 1244 C ALA A 84 2.266 7.323 5.413 1.00 0.00 C ATOM 1245 O ALA A 84 2.457 8.113 4.489 1.00 0.00 O ATOM 1246 CB ALA A 84 3.839 5.379 5.356 1.00 0.00 C ATOM 0 H ALA A 84 2.446 4.722 3.408 1.00 0.00 H new ATOM 0 HA ALA A 84 1.783 5.317 5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.200 5.671 6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.904 4.296 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.452 5.855 4.590 1.00 0.00 H new