USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 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 52 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= -1.72! C(o=-3.6!,f=-2.9!) USER MOD Set 1.3: A 93 SER OG : rot 143:sc= -0.0163 USER MOD Set 1.4: A 98 SER OG : rot 170:sc= -1.14 USER MOD Set 2.1: A 31 SER OG : rot -93:sc= 0.411 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.492 USER MOD Single : A 35 HIS : no HE2:sc= -0.702 K(o=-0.7,f=-1.3) USER MOD Single : A 41 GLN :FLIP amide:sc= -2.66! C(o=-5.1!,f=-2.7!) USER MOD Single : A 51 GLN :FLIP amide:sc= -2.14 F(o=-4.4!,f=-2.1) USER MOD Single : A 61 GLN : amide:sc= -8.17! C(o=-8.2!,f=-12!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.797 USER MOD Single : A 71 THR OG1 : rot -89:sc= 1.83 USER MOD Single : A 80 SER OG : rot -177:sc= 0.00219! USER MOD Single : A 85 SER OG : rot -77:sc= 0.52 USER MOD Single : A 88 TYR OH : rot 155:sc= -0.137 USER MOD Single : A 92 THR OG1 : rot -3:sc= -0.0723! USER MOD Single : A 94 SER OG : rot -61:sc= 0.346 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 170:sc= -0.945 USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.89 K(o=-1.9,f=-3.6!) USER MOD Single : A 108 SER OG : rot -50:sc= 0.857 USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 28 -11.514 2.939 5.181 1.00 0.00 N ATOM 213 CA GLU A 28 -11.740 1.975 4.080 1.00 0.00 C ATOM 214 C GLU A 28 -11.347 2.663 2.777 1.00 0.00 C ATOM 215 O GLU A 28 -11.223 3.869 2.721 1.00 0.00 O ATOM 216 CB GLU A 28 -13.229 1.598 4.059 1.00 0.00 C ATOM 217 CG GLU A 28 -13.480 0.525 2.989 1.00 0.00 C ATOM 218 CD GLU A 28 -12.677 -0.736 3.324 1.00 0.00 C ATOM 219 OE1 GLU A 28 -11.529 -0.762 2.913 1.00 0.00 O ATOM 220 OE2 GLU A 28 -13.256 -1.594 3.970 1.00 0.00 O ATOM 0 HA GLU A 28 -11.149 1.069 4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.533 1.227 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.834 2.481 3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.543 0.289 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.191 0.902 2.008 1.00 0.00 H new ATOM 227 N VAL A 29 -10.976 1.861 1.827 1.00 0.00 N ATOM 228 CA VAL A 29 -10.636 2.388 0.472 1.00 0.00 C ATOM 229 C VAL A 29 -10.668 1.286 -0.581 1.00 0.00 C ATOM 230 O VAL A 29 -11.593 1.188 -1.362 1.00 0.00 O ATOM 231 CB VAL A 29 -9.273 3.085 0.463 1.00 0.00 C ATOM 232 CG1 VAL A 29 -8.613 2.939 -0.912 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.524 4.584 0.668 1.00 0.00 C ATOM 0 H VAL A 29 -10.891 0.849 1.927 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.399 3.125 0.221 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.638 2.650 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.644 3.439 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.474 1.882 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.250 3.392 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.572 5.116 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.151 4.962 -0.140 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -10.027 4.742 1.622 1.00 0.00 H new ATOM 243 N GLU A 30 -9.641 0.481 -0.569 1.00 0.00 N ATOM 244 CA GLU A 30 -9.576 -0.619 -1.575 1.00 0.00 C ATOM 245 C GLU A 30 -9.306 -1.973 -0.922 1.00 0.00 C ATOM 246 O GLU A 30 -8.198 -2.295 -0.540 1.00 0.00 O ATOM 247 CB GLU A 30 -8.464 -0.313 -2.579 1.00 0.00 C ATOM 248 CG GLU A 30 -8.955 -0.665 -3.988 1.00 0.00 C ATOM 249 CD GLU A 30 -10.119 0.261 -4.358 1.00 0.00 C ATOM 250 OE1 GLU A 30 -9.871 1.456 -4.388 1.00 0.00 O ATOM 251 OE2 GLU A 30 -11.187 -0.281 -4.588 1.00 0.00 O ATOM 0 H GLU A 30 -8.857 0.534 0.081 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.543 -0.676 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.190 0.741 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.570 -0.887 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.144 -0.555 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.276 -1.706 -4.026 1.00 0.00 H new ATOM 258 N SER A 31 -10.351 -2.739 -0.800 1.00 0.00 N ATOM 259 CA SER A 31 -10.198 -4.088 -0.192 1.00 0.00 C ATOM 260 C SER A 31 -10.234 -5.170 -1.275 1.00 0.00 C ATOM 261 O SER A 31 -11.251 -5.403 -1.900 1.00 0.00 O ATOM 262 CB SER A 31 -11.333 -4.290 0.795 1.00 0.00 C ATOM 263 OG SER A 31 -11.294 -3.086 1.550 1.00 0.00 O ATOM 0 H SER A 31 -11.297 -2.493 -1.092 1.00 0.00 H new ATOM 0 HA SER A 31 -9.238 -4.162 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.291 -4.424 0.292 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.176 -5.168 1.421 1.00 0.00 H new ATOM 0 HG SER A 31 -10.736 -3.216 2.345 1.00 0.00 H new ATOM 269 N LEU A 32 -9.108 -5.803 -1.466 1.00 0.00 N ATOM 270 CA LEU A 32 -9.030 -6.870 -2.509 1.00 0.00 C ATOM 271 C LEU A 32 -8.139 -8.062 -2.119 1.00 0.00 C ATOM 272 O LEU A 32 -7.213 -7.951 -1.336 1.00 0.00 O ATOM 273 CB LEU A 32 -8.477 -6.226 -3.789 1.00 0.00 C ATOM 274 CG LEU A 32 -8.417 -7.270 -4.914 1.00 0.00 C ATOM 275 CD1 LEU A 32 -9.841 -7.703 -5.279 1.00 0.00 C ATOM 276 CD2 LEU A 32 -7.767 -6.629 -6.143 1.00 0.00 C ATOM 0 H LEU A 32 -8.245 -5.631 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.033 -7.275 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.110 -5.391 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.482 -5.821 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.840 -8.135 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.803 -8.444 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.325 -8.137 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.410 -6.836 -5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.717 -7.359 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.361 -5.773 -6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.760 -6.298 -5.891 1.00 0.00 H new ATOM 288 N LEU A 33 -8.468 -9.199 -2.674 1.00 0.00 N ATOM 289 CA LEU A 33 -7.664 -10.424 -2.412 1.00 0.00 C ATOM 290 C LEU A 33 -6.909 -10.791 -3.694 1.00 0.00 C ATOM 291 O LEU A 33 -7.405 -10.606 -4.789 1.00 0.00 O ATOM 292 CB LEU A 33 -8.607 -11.571 -2.012 1.00 0.00 C ATOM 293 CG LEU A 33 -9.399 -12.050 -3.241 1.00 0.00 C ATOM 294 CD1 LEU A 33 -8.653 -13.220 -3.897 1.00 0.00 C ATOM 295 CD2 LEU A 33 -10.772 -12.549 -2.782 1.00 0.00 C ATOM 0 H LEU A 33 -9.263 -9.330 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.954 -10.250 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.032 -12.397 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.293 -11.235 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.509 -11.229 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.210 -13.564 -4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.661 -12.891 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.558 -14.037 -3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.342 -12.891 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.644 -13.374 -2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.309 -11.737 -2.291 1.00 0.00 H new ATOM 307 N VAL A 34 -5.718 -11.291 -3.520 1.00 0.00 N ATOM 308 CA VAL A 34 -4.898 -11.678 -4.708 1.00 0.00 C ATOM 309 C VAL A 34 -4.374 -13.113 -4.552 1.00 0.00 C ATOM 310 O VAL A 34 -4.200 -13.591 -3.450 1.00 0.00 O ATOM 311 CB VAL A 34 -3.731 -10.688 -4.838 1.00 0.00 C ATOM 312 CG1 VAL A 34 -3.523 -10.368 -6.320 1.00 0.00 C ATOM 313 CG2 VAL A 34 -4.084 -9.389 -4.102 1.00 0.00 C ATOM 0 H VAL A 34 -5.277 -11.449 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.511 -11.644 -5.609 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.828 -11.123 -4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.697 -9.665 -6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.292 -11.285 -6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.432 -9.925 -6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.258 -8.684 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.982 -8.954 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.264 -9.605 -3.049 1.00 0.00 H new ATOM 323 N HIS A 35 -4.101 -13.763 -5.653 1.00 0.00 N ATOM 324 CA HIS A 35 -3.624 -15.178 -5.571 1.00 0.00 C ATOM 325 C HIS A 35 -2.111 -15.313 -5.803 1.00 0.00 C ATOM 326 O HIS A 35 -1.483 -14.454 -6.389 1.00 0.00 O ATOM 327 CB HIS A 35 -4.383 -15.977 -6.636 1.00 0.00 C ATOM 328 CG HIS A 35 -5.858 -16.068 -6.240 1.00 0.00 C ATOM 329 ND1 HIS A 35 -6.778 -16.649 -6.938 1.00 0.00 N ATOM 330 CD2 HIS A 35 -6.527 -15.593 -5.125 1.00 0.00 C ATOM 331 CE1 HIS A 35 -7.917 -16.553 -6.327 1.00 0.00 C ATOM 332 NE2 HIS A 35 -7.806 -15.904 -5.194 1.00 0.00 N ATOM 0 H HIS A 35 -4.186 -13.382 -6.595 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.814 -15.554 -4.566 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.284 -15.495 -7.609 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.957 -16.976 -6.731 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.630 -17.113 -7.834 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -6.067 -15.046 -4.315 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.844 -16.958 -6.705 1.00 0.00 H new ATOM 340 N PRO A 36 -1.580 -16.418 -5.340 1.00 0.00 N ATOM 341 CA PRO A 36 -0.195 -16.490 -4.811 1.00 0.00 C ATOM 342 C PRO A 36 0.858 -16.304 -5.911 1.00 0.00 C ATOM 343 O PRO A 36 1.324 -17.252 -6.509 1.00 0.00 O ATOM 344 CB PRO A 36 -0.080 -17.885 -4.179 1.00 0.00 C ATOM 345 CG PRO A 36 -1.401 -18.648 -4.487 1.00 0.00 C ATOM 346 CD PRO A 36 -2.324 -17.698 -5.273 1.00 0.00 C ATOM 0 HA PRO A 36 -0.009 -15.690 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.777 -18.421 -4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.076 -17.807 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.196 -19.547 -5.068 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.881 -18.968 -3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.535 -18.086 -6.270 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.283 -17.572 -4.770 1.00 0.00 H new ATOM 354 N GLY A 37 1.192 -15.065 -6.145 1.00 0.00 N ATOM 355 CA GLY A 37 2.207 -14.728 -7.182 1.00 0.00 C ATOM 356 C GLY A 37 1.579 -13.746 -8.168 1.00 0.00 C ATOM 357 O GLY A 37 1.847 -13.794 -9.353 1.00 0.00 O ATOM 0 H GLY A 37 0.799 -14.261 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.091 -14.288 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.534 -15.629 -7.700 1.00 0.00 H new ATOM 361 N ASP A 38 0.756 -12.872 -7.650 1.00 0.00 N ATOM 362 CA ASP A 38 0.076 -11.893 -8.547 1.00 0.00 C ATOM 363 C ASP A 38 0.362 -10.419 -8.231 1.00 0.00 C ATOM 364 O ASP A 38 0.923 -10.060 -7.214 1.00 0.00 O ATOM 365 CB ASP A 38 -1.435 -12.121 -8.440 1.00 0.00 C ATOM 366 CG ASP A 38 -1.819 -13.478 -9.039 1.00 0.00 C ATOM 367 OD1 ASP A 38 -0.961 -14.076 -9.669 1.00 0.00 O ATOM 368 OD2 ASP A 38 -2.966 -13.838 -8.830 1.00 0.00 O ATOM 0 H ASP A 38 0.528 -12.794 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 38 0.469 -12.071 -9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.742 -12.079 -7.395 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.966 -11.324 -8.960 1.00 0.00 H new ATOM 373 N LEU A 39 -0.089 -9.617 -9.156 1.00 0.00 N ATOM 374 CA LEU A 39 0.061 -8.136 -9.080 1.00 0.00 C ATOM 375 C LEU A 39 -1.133 -7.484 -8.390 1.00 0.00 C ATOM 376 O LEU A 39 -2.268 -7.628 -8.800 1.00 0.00 O ATOM 377 CB LEU A 39 0.183 -7.600 -10.513 1.00 0.00 C ATOM 378 CG LEU A 39 0.207 -6.065 -10.490 1.00 0.00 C ATOM 379 CD1 LEU A 39 1.507 -5.593 -9.836 1.00 0.00 C ATOM 380 CD2 LEU A 39 0.168 -5.552 -11.931 1.00 0.00 C ATOM 0 H LEU A 39 -0.574 -9.941 -9.993 1.00 0.00 H new ATOM 0 HA LEU A 39 0.948 -7.897 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.092 -7.981 -10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.654 -7.951 -11.116 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.649 -5.688 -9.930 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.530 -4.503 -9.817 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.561 -5.975 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.358 -5.964 -10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.185 -4.462 -11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.035 -5.927 -12.474 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.743 -5.900 -12.417 1.00 0.00 H new ATOM 392 N LEU A 40 -0.819 -6.777 -7.340 1.00 0.00 N ATOM 393 CA LEU A 40 -1.861 -6.070 -6.551 1.00 0.00 C ATOM 394 C LEU A 40 -1.412 -4.620 -6.325 1.00 0.00 C ATOM 395 O LEU A 40 -0.256 -4.363 -6.060 1.00 0.00 O ATOM 396 CB LEU A 40 -1.994 -6.830 -5.228 1.00 0.00 C ATOM 397 CG LEU A 40 -1.123 -6.200 -4.142 1.00 0.00 C ATOM 398 CD1 LEU A 40 -1.862 -5.010 -3.516 1.00 0.00 C ATOM 399 CD2 LEU A 40 -0.869 -7.254 -3.064 1.00 0.00 C ATOM 0 H LEU A 40 0.132 -6.659 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.824 -6.041 -7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.036 -6.830 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.705 -7.871 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.182 -5.854 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.240 -4.562 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.074 -4.268 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.798 -5.354 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.248 -6.827 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.820 -7.578 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.358 -8.110 -3.505 1.00 0.00 H new ATOM 411 N GLN A 41 -2.321 -3.689 -6.420 1.00 0.00 N ATOM 412 CA GLN A 41 -1.903 -2.270 -6.215 1.00 0.00 C ATOM 413 C GLN A 41 -2.881 -1.450 -5.361 1.00 0.00 C ATOM 414 O GLN A 41 -4.067 -1.710 -5.327 1.00 0.00 O ATOM 415 CB GLN A 41 -1.751 -1.609 -7.591 1.00 0.00 C ATOM 416 CG GLN A 41 -3.086 -1.675 -8.343 1.00 0.00 C ATOM 417 CD GLN A 41 -3.374 -3.122 -8.753 1.00 0.00 C ATOM 418 OE1 GLN A 41 -4.376 -3.744 -8.196 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -2.690 -3.697 -9.577 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.309 -3.840 -6.625 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.962 -2.287 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.438 -0.571 -7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.974 -2.114 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.890 -1.299 -7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.050 -1.037 -9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.905 -3.214 -10.015 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.901 -4.662 -9.830 1.00 0.00 H new ATOM 428 N LEU A 42 -2.324 -0.474 -4.694 1.00 0.00 N ATOM 429 CA LEU A 42 -3.127 0.435 -3.826 1.00 0.00 C ATOM 430 C LEU A 42 -2.795 1.867 -4.246 1.00 0.00 C ATOM 431 O LEU A 42 -1.645 2.254 -4.201 1.00 0.00 O ATOM 432 CB LEU A 42 -2.725 0.238 -2.348 1.00 0.00 C ATOM 433 CG LEU A 42 -1.371 -0.491 -2.251 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.687 -0.122 -0.924 1.00 0.00 C ATOM 435 CD2 LEU A 42 -1.624 -1.999 -2.254 1.00 0.00 C ATOM 0 H LEU A 42 -1.326 -0.265 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.192 0.226 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.661 1.206 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.492 -0.337 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.740 -0.203 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.271 -0.637 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.524 0.955 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.323 -0.423 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.673 -2.528 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.249 -2.265 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.130 -2.281 -3.177 1.00 0.00 H new ATOM 447 N ARG A 43 -3.791 2.609 -4.650 1.00 0.00 N ATOM 448 CA ARG A 43 -3.536 4.013 -5.089 1.00 0.00 C ATOM 449 C ARG A 43 -4.044 5.011 -4.055 1.00 0.00 C ATOM 450 O ARG A 43 -5.225 5.100 -3.781 1.00 0.00 O ATOM 451 CB ARG A 43 -4.265 4.246 -6.420 1.00 0.00 C ATOM 452 CG ARG A 43 -3.975 5.673 -6.905 1.00 0.00 C ATOM 453 CD ARG A 43 -3.091 5.599 -8.152 1.00 0.00 C ATOM 454 NE ARG A 43 -3.946 5.202 -9.305 1.00 0.00 N ATOM 455 CZ ARG A 43 -3.485 5.322 -10.521 1.00 0.00 C ATOM 456 NH1 ARG A 43 -3.040 6.480 -10.930 1.00 0.00 N ATOM 457 NH2 ARG A 43 -3.485 4.272 -11.295 1.00 0.00 N ATOM 0 H ARG A 43 -4.764 2.307 -4.695 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.462 4.160 -5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.933 3.521 -7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.338 4.103 -6.292 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.907 6.191 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.476 6.244 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.620 6.564 -8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.289 4.876 -8.007 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.886 4.839 -9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.054 7.283 -10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.678 6.581 -11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.840 3.382 -10.947 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.130 4.341 -12.249 1.00 0.00 H new ATOM 471 N CYS A 44 -3.130 5.807 -3.571 1.00 0.00 N ATOM 472 CA CYS A 44 -3.498 6.816 -2.539 1.00 0.00 C ATOM 473 C CYS A 44 -4.161 8.036 -3.183 1.00 0.00 C ATOM 474 O CYS A 44 -4.926 7.911 -4.120 1.00 0.00 O ATOM 475 CB CYS A 44 -2.214 7.261 -1.841 1.00 0.00 C ATOM 476 SG CYS A 44 -2.285 7.612 -0.069 1.00 0.00 S ATOM 0 H CYS A 44 -2.147 5.802 -3.845 1.00 0.00 H new ATOM 0 HA CYS A 44 -4.201 6.374 -1.833 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.464 6.486 -1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.855 8.159 -2.344 1.00 0.00 H new ATOM 481 N ARG A 45 -3.874 9.182 -2.632 1.00 0.00 N ATOM 482 CA ARG A 45 -4.455 10.447 -3.170 1.00 0.00 C ATOM 483 C ARG A 45 -3.538 11.630 -2.851 1.00 0.00 C ATOM 484 O ARG A 45 -3.631 12.167 -1.766 1.00 0.00 O ATOM 485 CB ARG A 45 -5.823 10.672 -2.509 1.00 0.00 C ATOM 486 CG ARG A 45 -5.780 10.138 -1.065 1.00 0.00 C ATOM 487 CD ARG A 45 -6.578 11.076 -0.157 1.00 0.00 C ATOM 488 NE ARG A 45 -5.756 12.299 0.064 1.00 0.00 N ATOM 489 CZ ARG A 45 -6.163 13.207 0.906 1.00 0.00 C ATOM 490 NH1 ARG A 45 -7.409 13.587 0.869 1.00 0.00 N ATOM 491 NH2 ARG A 45 -5.315 13.704 1.764 1.00 0.00 N ATOM 0 H ARG A 45 -3.258 9.299 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.561 10.369 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.071 11.733 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.602 10.162 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.197 9.132 -1.024 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.748 10.070 -0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.532 11.334 -0.617 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.803 10.590 0.792 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.879 12.425 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.048 13.175 0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.745 14.296 1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.347 13.381 1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.620 14.415 2.429 1.00 0.00 H new ATOM 505 N LEU A 46 -2.695 12.053 -3.763 1.00 0.00 N ATOM 506 CA LEU A 46 -1.826 13.199 -3.386 1.00 0.00 C ATOM 507 C LEU A 46 -2.211 14.434 -4.199 1.00 0.00 C ATOM 508 O LEU A 46 -2.874 14.343 -5.214 1.00 0.00 O ATOM 509 CB LEU A 46 -0.355 12.794 -3.615 1.00 0.00 C ATOM 510 CG LEU A 46 0.140 13.263 -4.987 1.00 0.00 C ATOM 511 CD1 LEU A 46 0.906 14.580 -4.814 1.00 0.00 C ATOM 512 CD2 LEU A 46 1.100 12.214 -5.549 1.00 0.00 C ATOM 0 H LEU A 46 -2.576 11.675 -4.703 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.958 13.452 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.270 13.225 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.257 11.711 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.705 13.403 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.263 14.923 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.244 15.332 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.756 14.422 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.460 12.536 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.946 12.095 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.580 11.262 -5.650 1.00 0.00 H new ATOM 524 N ARG A 47 -1.817 15.572 -3.700 1.00 0.00 N ATOM 525 CA ARG A 47 -2.147 16.831 -4.418 1.00 0.00 C ATOM 526 C ARG A 47 -1.108 17.906 -4.098 1.00 0.00 C ATOM 527 O ARG A 47 0.016 17.605 -3.751 1.00 0.00 O ATOM 528 CB ARG A 47 -3.528 17.299 -3.961 1.00 0.00 C ATOM 529 CG ARG A 47 -4.187 18.017 -5.135 1.00 0.00 C ATOM 530 CD ARG A 47 -5.163 19.059 -4.600 1.00 0.00 C ATOM 531 NE ARG A 47 -5.463 19.992 -5.720 1.00 0.00 N ATOM 532 CZ ARG A 47 -5.510 21.281 -5.517 1.00 0.00 C ATOM 533 NH1 ARG A 47 -5.031 21.789 -4.412 1.00 0.00 N ATOM 534 NH2 ARG A 47 -6.036 22.030 -6.447 1.00 0.00 N ATOM 0 H ARG A 47 -1.287 15.684 -2.836 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.145 16.655 -5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.134 16.450 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.441 17.967 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.430 18.495 -5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.711 17.301 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.075 18.583 -4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.729 19.596 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.633 19.621 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.619 21.178 -3.706 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.069 22.796 -4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.395 21.605 -7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.088 23.041 -6.319 1.00 0.00 H new ATOM 548 N ASP A 48 -1.513 19.141 -4.222 1.00 0.00 N ATOM 549 CA ASP A 48 -0.570 20.252 -3.913 1.00 0.00 C ATOM 550 C ASP A 48 -0.652 20.525 -2.411 1.00 0.00 C ATOM 551 O ASP A 48 -0.523 21.647 -1.959 1.00 0.00 O ATOM 552 CB ASP A 48 -1.001 21.497 -4.697 1.00 0.00 C ATOM 553 CG ASP A 48 -1.012 21.191 -6.200 1.00 0.00 C ATOM 554 OD1 ASP A 48 -0.470 20.158 -6.559 1.00 0.00 O ATOM 555 OD2 ASP A 48 -1.560 22.020 -6.907 1.00 0.00 O ATOM 0 H ASP A 48 -2.446 19.426 -4.521 1.00 0.00 H new ATOM 0 HA ASP A 48 0.452 19.994 -4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.993 21.815 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.319 22.322 -4.490 1.00 0.00 H new ATOM 560 N ASP A 49 -0.870 19.467 -1.678 1.00 0.00 N ATOM 561 CA ASP A 49 -0.979 19.580 -0.199 1.00 0.00 C ATOM 562 C ASP A 49 -0.055 18.543 0.445 1.00 0.00 C ATOM 563 O ASP A 49 0.997 18.876 0.952 1.00 0.00 O ATOM 564 CB ASP A 49 -2.434 19.310 0.199 1.00 0.00 C ATOM 565 CG ASP A 49 -3.323 20.436 -0.341 1.00 0.00 C ATOM 566 OD1 ASP A 49 -3.594 20.412 -1.533 1.00 0.00 O ATOM 567 OD2 ASP A 49 -3.682 21.266 0.477 1.00 0.00 O ATOM 0 H ASP A 49 -0.978 18.522 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.687 20.575 0.137 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.760 18.350 -0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.521 19.250 1.284 1.00 0.00 H new ATOM 572 N VAL A 50 -0.456 17.302 0.377 1.00 0.00 N ATOM 573 CA VAL A 50 0.383 16.227 0.968 1.00 0.00 C ATOM 574 C VAL A 50 1.590 15.956 0.071 1.00 0.00 C ATOM 575 O VAL A 50 1.526 16.070 -1.137 1.00 0.00 O ATOM 576 CB VAL A 50 -0.472 14.965 1.103 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.596 15.254 2.102 1.00 0.00 C ATOM 578 CG2 VAL A 50 -1.094 14.632 -0.258 1.00 0.00 C ATOM 0 H VAL A 50 -1.323 16.990 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 50 0.748 16.532 1.949 1.00 0.00 H new ATOM 0 HB VAL A 50 0.138 14.128 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.220 14.367 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.165 15.520 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.204 16.081 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.705 13.734 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.718 15.464 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.303 14.462 -0.988 1.00 0.00 H new ATOM 588 N GLN A 51 2.667 15.604 0.713 1.00 0.00 N ATOM 589 CA GLN A 51 3.933 15.324 -0.017 1.00 0.00 C ATOM 590 C GLN A 51 4.572 14.034 0.500 1.00 0.00 C ATOM 591 O GLN A 51 5.415 13.454 -0.155 1.00 0.00 O ATOM 592 CB GLN A 51 4.892 16.492 0.224 1.00 0.00 C ATOM 593 CG GLN A 51 4.155 17.800 -0.079 1.00 0.00 C ATOM 594 CD GLN A 51 4.661 18.891 0.864 1.00 0.00 C ATOM 595 OE1 GLN A 51 3.782 19.547 1.568 1.00 0.00 O flip ATOM 596 NE2 GLN A 51 5.843 19.152 0.967 1.00 0.00 N flip ATOM 0 H GLN A 51 2.725 15.497 1.726 1.00 0.00 H new ATOM 0 HA GLN A 51 3.724 15.207 -1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.244 16.486 1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.771 16.397 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.321 18.093 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.081 17.664 0.046 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.529 18.637 0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.149 19.886 1.606 1.00 0.00 H new ATOM 605 N SER A 52 4.155 13.611 1.664 1.00 0.00 N ATOM 606 CA SER A 52 4.738 12.371 2.240 1.00 0.00 C ATOM 607 C SER A 52 3.649 11.311 2.336 1.00 0.00 C ATOM 608 O SER A 52 2.877 11.297 3.277 1.00 0.00 O ATOM 609 CB SER A 52 5.281 12.688 3.636 1.00 0.00 C ATOM 610 OG SER A 52 5.796 11.443 4.087 1.00 0.00 O ATOM 0 H SER A 52 3.443 14.067 2.234 1.00 0.00 H new ATOM 0 HA SER A 52 5.546 12.000 1.609 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.057 13.453 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.497 13.060 4.296 1.00 0.00 H new ATOM 0 HG SER A 52 6.171 11.551 4.986 1.00 0.00 H new ATOM 616 N ILE A 53 3.599 10.475 1.335 1.00 0.00 N ATOM 617 CA ILE A 53 2.577 9.401 1.338 1.00 0.00 C ATOM 618 C ILE A 53 3.216 8.135 1.896 1.00 0.00 C ATOM 619 O ILE A 53 4.103 7.549 1.307 1.00 0.00 O ATOM 620 CB ILE A 53 2.121 9.159 -0.089 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.771 10.504 -0.755 1.00 0.00 C ATOM 622 CG2 ILE A 53 0.882 8.258 -0.077 1.00 0.00 C ATOM 623 CD1 ILE A 53 0.825 11.302 0.142 1.00 0.00 C ATOM 0 H ILE A 53 4.217 10.492 0.524 1.00 0.00 H new ATOM 0 HA ILE A 53 1.720 9.683 1.949 1.00 0.00 H new ATOM 0 HB ILE A 53 2.921 8.676 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.681 11.076 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.304 10.329 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.551 8.081 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.129 7.306 0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.084 8.744 0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.583 12.251 -0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.091 10.733 0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.307 11.492 1.101 1.00 0.00 H new ATOM 635 N ASN A 54 2.724 7.760 3.039 1.00 0.00 N ATOM 636 CA ASN A 54 3.242 6.550 3.732 1.00 0.00 C ATOM 637 C ASN A 54 2.212 5.433 3.609 1.00 0.00 C ATOM 638 O ASN A 54 1.037 5.683 3.779 1.00 0.00 O ATOM 639 CB ASN A 54 3.398 6.882 5.209 1.00 0.00 C ATOM 640 CG ASN A 54 3.137 8.366 5.438 1.00 0.00 C ATOM 641 OD1 ASN A 54 2.170 8.689 6.249 1.00 0.00 O flip ATOM 642 ND2 ASN A 54 3.790 9.231 4.887 1.00 0.00 N flip ATOM 0 H ASN A 54 1.974 8.246 3.531 1.00 0.00 H new ATOM 0 HA ASN A 54 4.192 6.242 3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.702 6.286 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.403 6.625 5.544 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.546 8.973 4.253 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.582 10.215 5.059 1.00 0.00 H new ATOM 649 N TRP A 55 2.642 4.228 3.359 1.00 0.00 N ATOM 650 CA TRP A 55 1.637 3.141 3.247 1.00 0.00 C ATOM 651 C TRP A 55 1.742 2.277 4.500 1.00 0.00 C ATOM 652 O TRP A 55 2.665 1.503 4.636 1.00 0.00 O ATOM 653 CB TRP A 55 1.961 2.331 2.002 1.00 0.00 C ATOM 654 CG TRP A 55 1.686 3.213 0.782 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.589 4.012 0.146 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.509 3.282 0.139 1.00 0.00 C ATOM 657 NE1 TRP A 55 1.884 4.505 -0.857 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.618 4.126 -0.943 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.685 2.644 0.404 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.467 4.332 -1.768 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.771 2.848 -0.421 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.662 3.692 -1.509 1.00 0.00 C ATOM 0 H TRP A 55 3.617 3.955 3.231 1.00 0.00 H new ATOM 0 HA TRP A 55 0.622 3.529 3.165 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.003 2.012 2.015 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.352 1.428 1.965 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.623 4.196 0.399 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.296 5.148 -1.534 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.769 1.986 1.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.382 4.994 -2.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.706 2.348 -0.217 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.511 3.851 -2.157 1.00 0.00 H new ATOM 673 N LEU A 56 0.785 2.387 5.383 1.00 0.00 N ATOM 674 CA LEU A 56 0.890 1.580 6.625 1.00 0.00 C ATOM 675 C LEU A 56 0.441 0.159 6.297 1.00 0.00 C ATOM 676 O LEU A 56 -0.734 -0.075 6.090 1.00 0.00 O ATOM 677 CB LEU A 56 -0.042 2.139 7.713 1.00 0.00 C ATOM 678 CG LEU A 56 -0.117 3.667 7.648 1.00 0.00 C ATOM 679 CD1 LEU A 56 -0.945 4.151 8.841 1.00 0.00 C ATOM 680 CD2 LEU A 56 1.283 4.272 7.747 1.00 0.00 C ATOM 0 H LEU A 56 -0.039 2.982 5.301 1.00 0.00 H new ATOM 0 HA LEU A 56 1.917 1.606 6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.040 1.718 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.316 1.832 8.695 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.569 3.971 6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.014 5.239 8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.946 3.723 8.787 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.465 3.837 9.768 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.214 5.359 7.699 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.740 3.979 8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.895 3.911 6.920 1.00 0.00 H new ATOM 692 N ARG A 57 1.372 -0.754 6.281 1.00 0.00 N ATOM 693 CA ARG A 57 1.005 -2.159 5.951 1.00 0.00 C ATOM 694 C ARG A 57 0.400 -2.808 7.187 1.00 0.00 C ATOM 695 O ARG A 57 0.756 -2.462 8.293 1.00 0.00 O ATOM 696 CB ARG A 57 2.276 -2.908 5.552 1.00 0.00 C ATOM 697 CG ARG A 57 1.949 -4.384 5.286 1.00 0.00 C ATOM 698 CD ARG A 57 2.152 -5.191 6.573 1.00 0.00 C ATOM 699 NE ARG A 57 3.612 -5.247 6.873 1.00 0.00 N ATOM 700 CZ ARG A 57 4.045 -4.868 8.045 1.00 0.00 C ATOM 701 NH1 ARG A 57 3.251 -4.956 9.077 1.00 0.00 N ATOM 702 NH2 ARG A 57 5.265 -4.415 8.149 1.00 0.00 N ATOM 0 H ARG A 57 2.359 -0.591 6.479 1.00 0.00 H new ATOM 0 HA ARG A 57 0.285 -2.187 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.710 -2.456 4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.020 -2.828 6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.920 -4.483 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.590 -4.773 4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.613 -4.727 7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.751 -6.198 6.456 1.00 0.00 H new ATOM 0 HE ARG A 57 4.268 -5.579 6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.304 -5.318 8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.577 -4.663 9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.861 -4.362 7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.622 -4.114 9.056 1.00 0.00 H new ATOM 716 N ASP A 58 -0.556 -3.664 6.959 1.00 0.00 N ATOM 717 CA ASP A 58 -1.224 -4.375 8.090 1.00 0.00 C ATOM 718 C ASP A 58 -1.936 -3.353 8.974 1.00 0.00 C ATOM 719 O ASP A 58 -3.146 -3.244 8.934 1.00 0.00 O ATOM 720 CB ASP A 58 -0.171 -5.133 8.910 1.00 0.00 C ATOM 721 CG ASP A 58 -0.862 -5.808 10.099 1.00 0.00 C ATOM 722 OD1 ASP A 58 -1.663 -6.688 9.830 1.00 0.00 O ATOM 723 OD2 ASP A 58 -0.548 -5.403 11.206 1.00 0.00 O ATOM 0 H ASP A 58 -0.907 -3.905 6.032 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.953 -5.086 7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.326 -5.879 8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.599 -4.447 9.261 1.00 0.00 H new ATOM 728 N GLY A 59 -1.155 -2.654 9.755 1.00 0.00 N ATOM 729 CA GLY A 59 -1.710 -1.600 10.651 1.00 0.00 C ATOM 730 C GLY A 59 -0.585 -0.665 11.122 1.00 0.00 C ATOM 731 O GLY A 59 -0.727 0.027 12.110 1.00 0.00 O ATOM 0 H GLY A 59 -0.143 -2.771 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.473 -1.028 10.124 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.195 -2.061 11.511 1.00 0.00 H new ATOM 735 N VAL A 60 0.508 -0.667 10.404 1.00 0.00 N ATOM 736 CA VAL A 60 1.660 0.200 10.787 1.00 0.00 C ATOM 737 C VAL A 60 2.419 0.687 9.546 1.00 0.00 C ATOM 738 O VAL A 60 2.413 0.048 8.513 1.00 0.00 O ATOM 739 CB VAL A 60 2.600 -0.622 11.677 1.00 0.00 C ATOM 740 CG1 VAL A 60 3.218 -1.757 10.851 1.00 0.00 C ATOM 741 CG2 VAL A 60 3.722 0.282 12.198 1.00 0.00 C ATOM 0 H VAL A 60 0.652 -1.233 9.568 1.00 0.00 H new ATOM 0 HA VAL A 60 1.292 1.077 11.319 1.00 0.00 H new ATOM 0 HB VAL A 60 2.039 -1.037 12.514 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.887 -2.343 11.481 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.426 -2.400 10.466 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.781 -1.336 10.018 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.393 -0.299 12.831 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.281 0.690 11.356 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.292 1.099 12.778 1.00 0.00 H new ATOM 751 N GLN A 61 3.066 1.812 9.699 1.00 0.00 N ATOM 752 CA GLN A 61 3.850 2.419 8.582 1.00 0.00 C ATOM 753 C GLN A 61 4.593 1.403 7.709 1.00 0.00 C ATOM 754 O GLN A 61 5.217 0.487 8.208 1.00 0.00 O ATOM 755 CB GLN A 61 4.871 3.379 9.201 1.00 0.00 C ATOM 756 CG GLN A 61 5.730 3.986 8.090 1.00 0.00 C ATOM 757 CD GLN A 61 4.807 4.698 7.102 1.00 0.00 C ATOM 758 OE1 GLN A 61 4.060 5.583 7.465 1.00 0.00 O ATOM 759 NE2 GLN A 61 4.826 4.336 5.848 1.00 0.00 N ATOM 0 H GLN A 61 3.085 2.346 10.568 1.00 0.00 H new ATOM 0 HA GLN A 61 3.141 2.920 7.923 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.359 4.167 9.753 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.501 2.848 9.915 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.451 4.688 8.509 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.300 3.208 7.583 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.453 3.592 5.541 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.214 4.797 5.175 1.00 0.00 H new ATOM 768 N LEU A 62 4.504 1.594 6.418 1.00 0.00 N ATOM 769 CA LEU A 62 5.228 0.672 5.498 1.00 0.00 C ATOM 770 C LEU A 62 5.490 1.249 4.102 1.00 0.00 C ATOM 771 O LEU A 62 4.720 2.005 3.536 1.00 0.00 O ATOM 772 CB LEU A 62 4.457 -0.634 5.321 1.00 0.00 C ATOM 773 CG LEU A 62 5.422 -1.628 4.641 1.00 0.00 C ATOM 774 CD1 LEU A 62 5.431 -2.956 5.402 1.00 0.00 C ATOM 775 CD2 LEU A 62 4.959 -1.883 3.204 1.00 0.00 C ATOM 0 H LEU A 62 3.970 2.337 5.968 1.00 0.00 H new ATOM 0 HA LEU A 62 6.192 0.508 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.120 -1.018 6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.567 -0.479 4.711 1.00 0.00 H new ATOM 0 HG LEU A 62 6.426 -1.203 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.115 -3.650 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.758 -2.785 6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.427 -3.379 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.639 -2.585 2.722 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.953 -2.302 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.955 -0.944 2.651 1.00 0.00 H new ATOM 787 N VAL A 63 6.691 0.955 3.691 1.00 0.00 N ATOM 788 CA VAL A 63 7.204 1.337 2.346 1.00 0.00 C ATOM 789 C VAL A 63 8.446 0.477 2.073 1.00 0.00 C ATOM 790 O VAL A 63 9.524 0.797 2.532 1.00 0.00 O ATOM 791 CB VAL A 63 7.486 2.847 2.348 1.00 0.00 C ATOM 792 CG1 VAL A 63 8.211 3.238 3.643 1.00 0.00 C ATOM 793 CG2 VAL A 63 8.360 3.230 1.152 1.00 0.00 C ATOM 0 H VAL A 63 7.367 0.443 4.258 1.00 0.00 H new ATOM 0 HA VAL A 63 6.489 1.153 1.544 1.00 0.00 H new ATOM 0 HB VAL A 63 6.535 3.375 2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.409 4.310 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.586 2.987 4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.154 2.695 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.550 4.303 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.307 2.693 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.847 2.967 0.227 1.00 0.00 H new ATOM 843 N ARG A 67 10.013 -6.853 -4.131 1.00 0.00 N ATOM 844 CA ARG A 67 8.699 -7.527 -4.356 1.00 0.00 C ATOM 845 C ARG A 67 7.601 -6.462 -4.416 1.00 0.00 C ATOM 846 O ARG A 67 6.596 -6.619 -5.084 1.00 0.00 O ATOM 847 CB ARG A 67 8.420 -8.506 -3.207 1.00 0.00 C ATOM 848 CG ARG A 67 7.457 -9.592 -3.703 1.00 0.00 C ATOM 849 CD ARG A 67 8.174 -10.474 -4.733 1.00 0.00 C ATOM 850 NE ARG A 67 9.387 -11.057 -4.090 1.00 0.00 N ATOM 851 CZ ARG A 67 9.512 -12.354 -4.017 1.00 0.00 C ATOM 852 NH1 ARG A 67 9.508 -12.922 -2.843 1.00 0.00 N ATOM 853 NH2 ARG A 67 9.636 -13.039 -5.121 1.00 0.00 N ATOM 0 HA ARG A 67 8.720 -8.082 -5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.350 -8.956 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.987 -7.977 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.112 -10.198 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.574 -9.135 -4.150 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.511 -11.266 -5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.454 -9.886 -5.607 1.00 0.00 H new ATOM 0 HE ARG A 67 10.112 -10.448 -3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.408 -12.354 -2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.605 -13.934 -2.766 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.634 -12.560 -6.021 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.735 -14.054 -5.083 1.00 0.00 H new ATOM 867 N THR A 68 7.824 -5.400 -3.686 1.00 0.00 N ATOM 868 CA THR A 68 6.840 -4.293 -3.679 1.00 0.00 C ATOM 869 C THR A 68 7.558 -3.007 -4.076 1.00 0.00 C ATOM 870 O THR A 68 8.635 -2.705 -3.601 1.00 0.00 O ATOM 871 CB THR A 68 6.260 -4.159 -2.268 1.00 0.00 C ATOM 872 OG1 THR A 68 5.327 -3.092 -2.374 1.00 0.00 O ATOM 873 CG2 THR A 68 7.313 -3.646 -1.285 1.00 0.00 C ATOM 0 H THR A 68 8.645 -5.258 -3.098 1.00 0.00 H new ATOM 0 HA THR A 68 6.030 -4.489 -4.382 1.00 0.00 H new ATOM 0 HB THR A 68 5.866 -5.117 -1.929 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.904 -2.940 -1.503 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.873 -3.561 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.150 -4.343 -1.252 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.668 -2.668 -1.610 1.00 0.00 H new ATOM 881 N ARG A 69 6.928 -2.287 -4.956 1.00 0.00 N ATOM 882 CA ARG A 69 7.496 -1.000 -5.423 1.00 0.00 C ATOM 883 C ARG A 69 6.580 0.048 -4.809 1.00 0.00 C ATOM 884 O ARG A 69 5.465 0.246 -5.249 1.00 0.00 O ATOM 885 CB ARG A 69 7.442 -0.953 -6.951 1.00 0.00 C ATOM 886 CG ARG A 69 8.525 0.012 -7.440 1.00 0.00 C ATOM 887 CD ARG A 69 8.038 1.450 -7.226 1.00 0.00 C ATOM 888 NE ARG A 69 9.174 2.374 -7.506 1.00 0.00 N ATOM 889 CZ ARG A 69 9.574 3.192 -6.571 1.00 0.00 C ATOM 890 NH1 ARG A 69 10.504 2.797 -5.744 1.00 0.00 N ATOM 891 NH2 ARG A 69 9.029 4.375 -6.491 1.00 0.00 N ATOM 0 H ARG A 69 6.033 -2.540 -5.376 1.00 0.00 H new ATOM 0 HA ARG A 69 8.537 -0.848 -5.137 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.603 -1.947 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.459 -0.622 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.454 -0.157 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.737 -0.162 -8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.199 1.669 -7.886 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.683 1.583 -6.204 1.00 0.00 H new ATOM 0 HE ARG A 69 9.633 2.367 -8.417 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.905 1.863 -5.835 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.830 3.422 -5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.302 4.648 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.330 5.027 -5.766 1.00 0.00 H new ATOM 905 N ILE A 70 7.050 0.645 -3.753 1.00 0.00 N ATOM 906 CA ILE A 70 6.207 1.659 -3.073 1.00 0.00 C ATOM 907 C ILE A 70 6.506 3.061 -3.586 1.00 0.00 C ATOM 908 O ILE A 70 7.578 3.592 -3.384 1.00 0.00 O ATOM 909 CB ILE A 70 6.478 1.600 -1.564 1.00 0.00 C ATOM 910 CG1 ILE A 70 7.944 1.207 -1.270 1.00 0.00 C ATOM 911 CG2 ILE A 70 5.608 0.503 -0.942 1.00 0.00 C ATOM 912 CD1 ILE A 70 8.934 2.191 -1.898 1.00 0.00 C ATOM 0 H ILE A 70 7.966 0.478 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 70 5.160 1.438 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 70 6.262 2.587 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.101 1.171 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.135 0.205 -1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.795 0.455 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.556 0.730 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.853 -0.457 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.953 1.879 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.795 2.207 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.760 3.189 -1.495 1.00 0.00 H new ATOM 924 N THR A 71 5.556 3.654 -4.249 1.00 0.00 N ATOM 925 CA THR A 71 5.830 5.023 -4.736 1.00 0.00 C ATOM 926 C THR A 71 5.107 6.018 -3.821 1.00 0.00 C ATOM 927 O THR A 71 4.028 5.748 -3.329 1.00 0.00 O ATOM 928 CB THR A 71 5.335 5.181 -6.171 1.00 0.00 C ATOM 929 OG1 THR A 71 3.998 5.620 -6.011 1.00 0.00 O ATOM 930 CG2 THR A 71 5.225 3.826 -6.880 1.00 0.00 C ATOM 0 H THR A 71 4.638 3.267 -4.467 1.00 0.00 H new ATOM 0 HA THR A 71 6.903 5.212 -4.721 1.00 0.00 H new ATOM 0 HB THR A 71 6.000 5.832 -6.739 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.403 4.843 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.870 3.977 -7.899 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.204 3.347 -6.904 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.523 3.189 -6.341 1.00 0.00 H new ATOM 938 N GLY A 72 5.750 7.131 -3.604 1.00 0.00 N ATOM 939 CA GLY A 72 5.180 8.202 -2.736 1.00 0.00 C ATOM 940 C GLY A 72 3.721 8.562 -3.050 1.00 0.00 C ATOM 941 O GLY A 72 3.221 9.544 -2.541 1.00 0.00 O ATOM 0 H GLY A 72 6.665 7.349 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.247 7.884 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.792 9.098 -2.836 1.00 0.00 H new ATOM 945 N GLU A 73 3.078 7.825 -3.914 1.00 0.00 N ATOM 946 CA GLU A 73 1.649 8.130 -4.211 1.00 0.00 C ATOM 947 C GLU A 73 0.846 6.839 -4.433 1.00 0.00 C ATOM 948 O GLU A 73 -0.352 6.794 -4.236 1.00 0.00 O ATOM 949 CB GLU A 73 1.591 8.989 -5.473 1.00 0.00 C ATOM 950 CG GLU A 73 2.263 8.235 -6.625 1.00 0.00 C ATOM 951 CD GLU A 73 2.074 9.035 -7.917 1.00 0.00 C ATOM 952 OE1 GLU A 73 2.601 10.134 -7.953 1.00 0.00 O ATOM 953 OE2 GLU A 73 1.414 8.497 -8.790 1.00 0.00 O ATOM 0 H GLU A 73 3.474 7.034 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 73 1.212 8.660 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.555 9.216 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.094 9.941 -5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.324 8.098 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.828 7.241 -6.730 1.00 0.00 H new ATOM 960 N GLU A 74 1.520 5.795 -4.826 1.00 0.00 N ATOM 961 CA GLU A 74 0.796 4.527 -5.084 1.00 0.00 C ATOM 962 C GLU A 74 1.741 3.388 -4.754 1.00 0.00 C ATOM 963 O GLU A 74 2.939 3.498 -4.902 1.00 0.00 O ATOM 964 CB GLU A 74 0.414 4.474 -6.568 1.00 0.00 C ATOM 965 CG GLU A 74 -0.250 3.122 -6.870 1.00 0.00 C ATOM 966 CD GLU A 74 -0.590 3.029 -8.363 1.00 0.00 C ATOM 967 OE1 GLU A 74 -0.216 3.947 -9.076 1.00 0.00 O ATOM 968 OE2 GLU A 74 -1.209 2.036 -8.705 1.00 0.00 O ATOM 0 H GLU A 74 2.528 5.767 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.108 4.454 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.267 5.290 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.300 4.604 -7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.418 2.308 -6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.156 3.011 -6.274 1.00 0.00 H new ATOM 975 N VAL A 75 1.193 2.306 -4.298 1.00 0.00 N ATOM 976 CA VAL A 75 2.084 1.169 -3.967 1.00 0.00 C ATOM 977 C VAL A 75 1.711 -0.030 -4.803 1.00 0.00 C ATOM 978 O VAL A 75 0.556 -0.394 -4.883 1.00 0.00 O ATOM 979 CB VAL A 75 1.937 0.852 -2.493 1.00 0.00 C ATOM 980 CG1 VAL A 75 2.559 -0.517 -2.195 1.00 0.00 C ATOM 981 CG2 VAL A 75 2.699 1.929 -1.747 1.00 0.00 C ATOM 0 H VAL A 75 0.196 2.159 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 75 3.121 1.429 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 75 0.889 0.824 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.452 -0.742 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.051 -1.283 -2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.617 -0.501 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.626 1.749 -0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.746 1.909 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.273 2.905 -1.981 1.00 0.00 H new ATOM 991 N GLU A 76 2.705 -0.566 -5.449 1.00 0.00 N ATOM 992 CA GLU A 76 2.446 -1.772 -6.286 1.00 0.00 C ATOM 993 C GLU A 76 3.179 -2.991 -5.718 1.00 0.00 C ATOM 994 O GLU A 76 4.388 -2.988 -5.625 1.00 0.00 O ATOM 995 CB GLU A 76 2.945 -1.490 -7.705 1.00 0.00 C ATOM 996 CG GLU A 76 2.571 -2.673 -8.600 1.00 0.00 C ATOM 997 CD GLU A 76 3.104 -2.421 -10.013 1.00 0.00 C ATOM 998 OE1 GLU A 76 2.624 -1.469 -10.609 1.00 0.00 O ATOM 999 OE2 GLU A 76 3.959 -3.193 -10.414 1.00 0.00 O ATOM 0 H GLU A 76 3.669 -0.231 -5.437 1.00 0.00 H new ATOM 0 HA GLU A 76 1.378 -1.988 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.499 -0.571 -8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.025 -1.344 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.991 -3.595 -8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.489 -2.799 -8.623 1.00 0.00 H new ATOM 1006 N VAL A 77 2.440 -4.005 -5.355 1.00 0.00 N ATOM 1007 CA VAL A 77 3.076 -5.242 -4.814 1.00 0.00 C ATOM 1008 C VAL A 77 2.820 -6.243 -5.936 1.00 0.00 C ATOM 1009 O VAL A 77 1.690 -6.438 -6.327 1.00 0.00 O ATOM 1010 CB VAL A 77 2.383 -5.677 -3.487 1.00 0.00 C ATOM 1011 CG1 VAL A 77 3.455 -5.774 -2.402 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.376 -4.603 -3.044 1.00 0.00 C ATOM 0 H VAL A 77 1.422 -4.030 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 77 4.131 -5.134 -4.563 1.00 0.00 H new ATOM 0 HB VAL A 77 1.872 -6.628 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.995 -6.077 -1.462 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.203 -6.511 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.933 -4.803 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.896 -4.915 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.897 -3.659 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.619 -4.472 -3.818 1.00 0.00 H new ATOM 1022 N ARG A 78 3.840 -6.867 -6.452 1.00 0.00 N ATOM 1023 CA ARG A 78 3.563 -7.783 -7.599 1.00 0.00 C ATOM 1024 C ARG A 78 3.870 -9.247 -7.306 1.00 0.00 C ATOM 1025 O ARG A 78 4.614 -9.899 -8.009 1.00 0.00 O ATOM 1026 CB ARG A 78 4.353 -7.280 -8.820 1.00 0.00 C ATOM 1027 CG ARG A 78 5.838 -7.131 -8.476 1.00 0.00 C ATOM 1028 CD ARG A 78 6.509 -8.483 -8.676 1.00 0.00 C ATOM 1029 NE ARG A 78 7.908 -8.252 -9.131 1.00 0.00 N ATOM 1030 CZ ARG A 78 8.899 -8.711 -8.416 1.00 0.00 C ATOM 1031 NH1 ARG A 78 9.468 -7.922 -7.547 1.00 0.00 N ATOM 1032 NH2 ARG A 78 9.287 -9.944 -8.594 1.00 0.00 N ATOM 0 H ARG A 78 4.811 -6.792 -6.150 1.00 0.00 H new ATOM 0 HA ARG A 78 2.491 -7.759 -7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.234 -7.977 -9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.952 -6.321 -9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.302 -6.378 -9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.958 -6.795 -7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.502 -9.051 -7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.963 -9.072 -9.413 1.00 0.00 H new ATOM 0 HE ARG A 78 8.090 -7.740 -9.994 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.137 -6.964 -7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.244 -8.263 -6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.818 -10.532 -9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.060 -10.320 -8.044 1.00 0.00 H new ATOM 1046 N ASP A 79 3.228 -9.756 -6.294 1.00 0.00 N ATOM 1047 CA ASP A 79 3.491 -11.173 -5.940 1.00 0.00 C ATOM 1048 C ASP A 79 2.377 -11.768 -5.077 1.00 0.00 C ATOM 1049 O ASP A 79 2.117 -12.952 -5.136 1.00 0.00 O ATOM 1050 CB ASP A 79 4.818 -11.223 -5.184 1.00 0.00 C ATOM 1051 CG ASP A 79 5.348 -12.660 -5.165 1.00 0.00 C ATOM 1052 OD1 ASP A 79 5.403 -13.232 -6.241 1.00 0.00 O ATOM 1053 OD2 ASP A 79 5.678 -13.096 -4.075 1.00 0.00 O ATOM 0 H ASP A 79 2.550 -9.266 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 79 3.532 -11.767 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.544 -10.564 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.681 -10.862 -4.165 1.00 0.00 H new ATOM 1058 N SER A 80 1.730 -10.924 -4.318 1.00 0.00 N ATOM 1059 CA SER A 80 0.655 -11.406 -3.405 1.00 0.00 C ATOM 1060 C SER A 80 1.163 -12.604 -2.591 1.00 0.00 C ATOM 1061 O SER A 80 0.966 -13.752 -2.935 1.00 0.00 O ATOM 1062 CB SER A 80 -0.580 -11.795 -4.219 1.00 0.00 C ATOM 1063 OG SER A 80 -0.193 -12.980 -4.890 1.00 0.00 O ATOM 0 H SER A 80 1.901 -9.919 -4.292 1.00 0.00 H new ATOM 0 HA SER A 80 0.380 -10.608 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.444 -11.965 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.856 -11.010 -4.923 1.00 0.00 H new ATOM 0 HG SER A 80 -0.916 -13.271 -5.484 1.00 0.00 H new ATOM 1069 N ILE A 81 1.820 -12.265 -1.518 1.00 0.00 N ATOM 1070 CA ILE A 81 2.399 -13.287 -0.596 1.00 0.00 C ATOM 1071 C ILE A 81 1.978 -12.865 0.808 1.00 0.00 C ATOM 1072 O ILE A 81 1.442 -11.790 0.962 1.00 0.00 O ATOM 1073 CB ILE A 81 3.928 -13.254 -0.723 1.00 0.00 C ATOM 1074 CG1 ILE A 81 4.371 -11.852 -1.160 1.00 0.00 C ATOM 1075 CG2 ILE A 81 4.352 -14.276 -1.783 1.00 0.00 C ATOM 1076 CD1 ILE A 81 5.881 -11.723 -0.946 1.00 0.00 C ATOM 0 H ILE A 81 1.985 -11.300 -1.233 1.00 0.00 H new ATOM 0 HA ILE A 81 2.057 -14.297 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 81 4.389 -13.496 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.123 -11.688 -2.209 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.842 -11.092 -0.584 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.437 -14.265 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.026 -15.271 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.895 -14.020 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.208 -10.730 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.113 -11.872 0.109 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.398 -12.476 -1.541 1.00 0.00 H new ATOM 1088 N PRO A 82 2.239 -13.675 1.800 1.00 0.00 N ATOM 1089 CA PRO A 82 1.973 -13.299 3.209 1.00 0.00 C ATOM 1090 C PRO A 82 2.152 -11.794 3.479 1.00 0.00 C ATOM 1091 O PRO A 82 1.439 -11.214 4.272 1.00 0.00 O ATOM 1092 CB PRO A 82 2.956 -14.158 4.009 1.00 0.00 C ATOM 1093 CG PRO A 82 3.365 -15.344 3.077 1.00 0.00 C ATOM 1094 CD PRO A 82 2.882 -15.001 1.648 1.00 0.00 C ATOM 0 HA PRO A 82 0.935 -13.479 3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.830 -13.576 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.494 -14.526 4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.445 -15.488 3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.914 -16.275 3.421 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.713 -14.964 0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.179 -15.746 1.274 1.00 0.00 H new ATOM 1102 N ALA A 83 3.088 -11.187 2.800 1.00 0.00 N ATOM 1103 CA ALA A 83 3.325 -9.725 3.004 1.00 0.00 C ATOM 1104 C ALA A 83 2.047 -8.886 2.840 1.00 0.00 C ATOM 1105 O ALA A 83 1.912 -7.829 3.423 1.00 0.00 O ATOM 1106 CB ALA A 83 4.362 -9.261 1.979 1.00 0.00 C ATOM 0 H ALA A 83 3.697 -11.636 2.116 1.00 0.00 H new ATOM 0 HA ALA A 83 3.674 -9.581 4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.551 -8.195 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.290 -9.814 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.985 -9.442 0.972 1.00 0.00 H new ATOM 1112 N ASP A 84 1.162 -9.329 1.988 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.103 -8.579 1.772 1.00 0.00 C ATOM 1114 C ASP A 84 -1.263 -9.171 2.588 1.00 0.00 C ATOM 1115 O ASP A 84 -2.382 -9.238 2.122 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.421 -8.627 0.280 1.00 0.00 C ATOM 1117 CG ASP A 84 0.890 -8.436 -0.489 1.00 0.00 C ATOM 1118 OD1 ASP A 84 1.245 -7.284 -0.675 1.00 0.00 O ATOM 1119 OD2 ASP A 84 1.466 -9.457 -0.826 1.00 0.00 O ATOM 0 H ASP A 84 1.263 -10.179 1.433 1.00 0.00 H new ATOM 0 HA ASP A 84 0.022 -7.550 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -0.881 -9.580 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.135 -7.846 0.017 1.00 0.00 H new ATOM 1124 N SER A 85 -0.947 -9.704 3.739 1.00 0.00 N ATOM 1125 CA SER A 85 -2.013 -10.255 4.626 1.00 0.00 C ATOM 1126 C SER A 85 -2.362 -9.231 5.716 1.00 0.00 C ATOM 1127 O SER A 85 -2.005 -9.416 6.864 1.00 0.00 O ATOM 1128 CB SER A 85 -1.507 -11.551 5.274 1.00 0.00 C ATOM 1129 OG SER A 85 -2.537 -11.889 6.193 1.00 0.00 O ATOM 0 H SER A 85 0.003 -9.781 4.103 1.00 0.00 H new ATOM 0 HA SER A 85 -2.907 -10.465 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.356 -12.337 4.534 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.553 -11.401 5.779 1.00 0.00 H new ATOM 0 HG SER A 85 -2.469 -11.317 6.986 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.039 -8.173 5.362 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.378 -7.164 6.410 1.00 0.00 C ATOM 1137 C GLY A 86 -3.983 -5.901 5.796 1.00 0.00 C ATOM 1138 O GLY A 86 -4.350 -5.875 4.637 1.00 0.00 O ATOM 0 H GLY A 86 -3.366 -7.964 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.082 -7.598 7.120 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.480 -6.903 6.970 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.069 -4.854 6.570 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.664 -3.622 5.993 1.00 0.00 C ATOM 1144 C LEU A 87 -3.564 -2.670 5.536 1.00 0.00 C ATOM 1145 O LEU A 87 -2.622 -2.404 6.255 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.526 -2.935 7.058 1.00 0.00 C ATOM 1147 CG LEU A 87 -6.547 -3.940 7.608 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -7.323 -3.276 8.749 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -7.533 -4.315 6.497 1.00 0.00 C ATOM 0 H LEU A 87 -3.765 -4.798 7.542 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.278 -3.888 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.897 -2.559 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.040 -2.075 6.628 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.034 -4.833 7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.053 -3.979 9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.630 -2.983 9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.839 -2.393 8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.261 -5.029 6.882 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.050 -3.420 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.990 -4.763 5.665 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.702 -2.199 4.329 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.714 -1.236 3.793 1.00 0.00 C ATOM 1163 C TYR A 88 -3.429 0.101 3.822 1.00 0.00 C ATOM 1164 O TYR A 88 -4.194 0.443 2.945 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.353 -1.603 2.360 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.174 -2.573 2.390 1.00 0.00 C ATOM 1167 CD1 TYR A 88 0.120 -2.095 2.401 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -1.390 -3.933 2.398 1.00 0.00 C ATOM 1169 CE1 TYR A 88 1.187 -2.968 2.413 1.00 0.00 C ATOM 1170 CE2 TYR A 88 -0.329 -4.811 2.401 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.971 -4.334 2.408 1.00 0.00 C ATOM 1172 OH TYR A 88 2.051 -5.193 2.395 1.00 0.00 O ATOM 0 H TYR A 88 -4.460 -2.443 3.692 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.788 -1.226 4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.207 -2.060 1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.093 -0.708 1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.298 -1.030 2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.400 -4.314 2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.196 -2.583 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.512 -5.875 2.398 1.00 0.00 H new ATOM 0 HH TYR A 88 1.788 -6.054 2.781 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.194 0.814 4.880 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.865 2.130 5.004 1.00 0.00 C ATOM 1184 C ALA A 89 -2.850 3.149 4.523 1.00 0.00 C ATOM 1185 O ALA A 89 -1.749 3.227 5.025 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.215 2.380 6.469 1.00 0.00 C ATOM 0 H ALA A 89 -2.579 0.551 5.650 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.788 2.184 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.709 3.347 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.883 1.595 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.303 2.377 7.066 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.228 3.915 3.548 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.256 4.903 3.031 1.00 0.00 C ATOM 1194 C CYS A 90 -2.516 6.225 3.711 1.00 0.00 C ATOM 1195 O CYS A 90 -3.637 6.690 3.714 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.453 5.077 1.544 1.00 0.00 C ATOM 1197 SG CYS A 90 -1.211 6.089 0.706 1.00 0.00 S ATOM 0 H CYS A 90 -4.143 3.903 3.097 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.240 4.561 3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -2.466 4.091 1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.433 5.522 1.375 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.467 6.775 4.251 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.593 8.078 4.943 1.00 0.00 C ATOM 1204 C VAL A 91 -0.781 9.102 4.161 1.00 0.00 C ATOM 1205 O VAL A 91 0.413 8.969 3.984 1.00 0.00 O ATOM 1206 CB VAL A 91 -1.050 7.966 6.366 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.231 9.313 7.072 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.849 6.905 7.123 1.00 0.00 C ATOM 0 H VAL A 91 -0.528 6.376 4.241 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.639 8.380 4.996 1.00 0.00 H new ATOM 0 HB VAL A 91 0.005 7.692 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.847 9.245 8.090 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.685 10.085 6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.290 9.569 7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.467 6.819 8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.900 7.193 7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.751 5.945 6.616 1.00 0.00 H new ATOM 1218 N THR A 92 -1.483 10.092 3.703 1.00 0.00 N ATOM 1219 CA THR A 92 -0.846 11.182 2.918 1.00 0.00 C ATOM 1220 C THR A 92 -0.659 12.317 3.910 1.00 0.00 C ATOM 1221 O THR A 92 -1.589 12.642 4.619 1.00 0.00 O ATOM 1222 CB THR A 92 -1.800 11.613 1.799 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.870 12.249 2.479 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.455 10.397 1.141 1.00 0.00 C ATOM 0 H THR A 92 -2.488 10.196 3.840 1.00 0.00 H new ATOM 0 HA THR A 92 0.097 10.882 2.460 1.00 0.00 H new ATOM 0 HB THR A 92 -1.268 12.210 1.058 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.727 12.185 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.127 10.729 0.350 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.684 9.754 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 92 -3.021 9.840 1.888 1.00 0.00 H new ATOM 1232 N SER A 93 0.508 12.897 3.938 1.00 0.00 N ATOM 1233 CA SER A 93 0.738 13.978 4.934 1.00 0.00 C ATOM 1234 C SER A 93 1.326 15.239 4.311 1.00 0.00 C ATOM 1235 O SER A 93 2.153 15.174 3.423 1.00 0.00 O ATOM 1236 CB SER A 93 1.714 13.451 5.988 1.00 0.00 C ATOM 1237 OG SER A 93 1.451 12.054 6.016 1.00 0.00 O ATOM 0 H SER A 93 1.296 12.676 3.329 1.00 0.00 H new ATOM 0 HA SER A 93 -0.226 14.248 5.366 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.749 13.659 5.716 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.541 13.911 6.961 1.00 0.00 H new ATOM 0 HG SER A 93 2.292 11.565 6.138 1.00 0.00 H new ATOM 1243 N SER A 94 0.819 16.344 4.789 1.00 0.00 N ATOM 1244 CA SER A 94 1.280 17.686 4.351 1.00 0.00 C ATOM 1245 C SER A 94 1.632 18.446 5.633 1.00 0.00 C ATOM 1246 O SER A 94 1.066 18.180 6.677 1.00 0.00 O ATOM 1247 CB SER A 94 0.122 18.404 3.676 1.00 0.00 C ATOM 1248 OG SER A 94 -0.702 18.750 4.780 1.00 0.00 O ATOM 0 H SER A 94 0.078 16.367 5.490 1.00 0.00 H new ATOM 0 HA SER A 94 2.123 17.621 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.454 19.284 3.125 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.398 17.760 2.966 1.00 0.00 H new ATOM 0 HG SER A 94 -0.988 17.935 5.243 1.00 0.00 H new ATOM 1254 N PRO A 95 2.515 19.400 5.505 1.00 0.00 N ATOM 1255 CA PRO A 95 3.079 20.129 6.663 1.00 0.00 C ATOM 1256 C PRO A 95 2.001 20.651 7.621 1.00 0.00 C ATOM 1257 O PRO A 95 2.319 21.244 8.634 1.00 0.00 O ATOM 1258 CB PRO A 95 3.877 21.288 6.052 1.00 0.00 C ATOM 1259 CG PRO A 95 3.926 21.058 4.514 1.00 0.00 C ATOM 1260 CD PRO A 95 3.018 19.857 4.189 1.00 0.00 C ATOM 0 HA PRO A 95 3.696 19.468 7.272 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.405 22.243 6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.884 21.322 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.587 21.948 3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.948 20.863 4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.199 20.146 3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.572 19.068 3.681 1.00 0.00 H new ATOM 1268 N SER A 96 0.754 20.426 7.298 1.00 0.00 N ATOM 1269 CA SER A 96 -0.326 20.908 8.199 1.00 0.00 C ATOM 1270 C SER A 96 -1.104 19.728 8.791 1.00 0.00 C ATOM 1271 O SER A 96 -1.395 19.711 9.971 1.00 0.00 O ATOM 1272 CB SER A 96 -1.276 21.790 7.385 1.00 0.00 C ATOM 1273 OG SER A 96 -2.222 22.241 8.344 1.00 0.00 O ATOM 0 H SER A 96 0.442 19.935 6.460 1.00 0.00 H new ATOM 0 HA SER A 96 0.113 21.474 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.749 22.623 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.755 21.228 6.583 1.00 0.00 H new ATOM 0 HG SER A 96 -2.879 22.822 7.907 1.00 0.00 H new ATOM 1279 N GLY A 97 -1.427 18.764 7.968 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.206 17.602 8.493 1.00 0.00 C ATOM 1281 C GLY A 97 -2.081 16.396 7.561 1.00 0.00 C ATOM 1282 O GLY A 97 -1.345 16.449 6.598 1.00 0.00 O ATOM 0 H GLY A 97 -1.192 18.729 6.976 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.846 17.337 9.487 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.255 17.879 8.597 1.00 0.00 H new ATOM 1286 N SER A 98 -2.802 15.349 7.868 1.00 0.00 N ATOM 1287 CA SER A 98 -2.748 14.135 7.001 1.00 0.00 C ATOM 1288 C SER A 98 -4.153 13.572 6.746 1.00 0.00 C ATOM 1289 O SER A 98 -5.093 13.867 7.458 1.00 0.00 O ATOM 1290 CB SER A 98 -1.889 13.067 7.689 1.00 0.00 C ATOM 1291 OG SER A 98 -0.591 13.642 7.720 1.00 0.00 O ATOM 0 H SER A 98 -3.422 15.282 8.676 1.00 0.00 H new ATOM 0 HA SER A 98 -2.313 14.413 6.041 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.253 12.847 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.897 12.129 7.134 1.00 0.00 H new ATOM 0 HG SER A 98 -0.005 13.097 8.286 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.244 12.770 5.721 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.543 12.137 5.345 1.00 0.00 C ATOM 1299 C ASP A 99 -5.269 10.658 5.081 1.00 0.00 C ATOM 1300 O ASP A 99 -4.177 10.313 4.677 1.00 0.00 O ATOM 1301 CB ASP A 99 -6.057 12.793 4.063 1.00 0.00 C ATOM 1302 CG ASP A 99 -7.572 13.027 4.148 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -8.220 12.217 4.790 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -7.985 14.006 3.547 1.00 0.00 O ATOM 0 H ASP A 99 -3.460 12.522 5.117 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.285 12.257 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.545 13.742 3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -5.829 12.159 3.206 1.00 0.00 H new ATOM 1309 N THR A 100 -6.253 9.819 5.260 1.00 0.00 N ATOM 1310 CA THR A 100 -5.976 8.373 5.037 1.00 0.00 C ATOM 1311 C THR A 100 -7.027 7.632 4.199 1.00 0.00 C ATOM 1312 O THR A 100 -8.209 7.908 4.237 1.00 0.00 O ATOM 1313 CB THR A 100 -5.852 7.712 6.410 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.788 8.413 7.038 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.325 6.280 6.281 1.00 0.00 C ATOM 0 H THR A 100 -7.204 10.060 5.541 1.00 0.00 H new ATOM 0 HA THR A 100 -5.058 8.308 4.453 1.00 0.00 H new ATOM 0 HB THR A 100 -6.814 7.721 6.923 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.745 8.162 7.984 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.246 5.831 7.271 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.011 5.693 5.670 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.342 6.295 5.809 1.00 0.00 H new ATOM 1323 N THR A 101 -6.501 6.692 3.461 1.00 0.00 N ATOM 1324 CA THR A 101 -7.314 5.813 2.563 1.00 0.00 C ATOM 1325 C THR A 101 -7.075 4.353 2.984 1.00 0.00 C ATOM 1326 O THR A 101 -5.934 3.965 3.107 1.00 0.00 O ATOM 1327 CB THR A 101 -6.812 6.018 1.124 1.00 0.00 C ATOM 1328 OG1 THR A 101 -5.441 6.374 1.238 1.00 0.00 O ATOM 1329 CG2 THR A 101 -7.452 7.253 0.495 1.00 0.00 C ATOM 0 H THR A 101 -5.502 6.488 3.442 1.00 0.00 H new ATOM 0 HA THR A 101 -8.376 6.050 2.627 1.00 0.00 H new ATOM 0 HB THR A 101 -7.024 5.122 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.065 6.517 0.344 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.081 7.377 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.535 7.131 0.474 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.198 8.134 1.084 1.00 0.00 H new ATOM 1337 N TYR A 102 -8.100 3.550 3.154 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.808 2.151 3.609 1.00 0.00 C ATOM 1339 C TYR A 102 -8.003 1.037 2.571 1.00 0.00 C ATOM 1340 O TYR A 102 -9.103 0.680 2.207 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.694 1.843 4.805 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.058 2.419 6.068 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -7.991 3.783 6.257 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.562 1.577 7.041 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -7.437 4.300 7.409 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.007 2.094 8.194 1.00 0.00 C ATOM 1347 CZ TYR A 102 -6.940 3.459 8.385 1.00 0.00 C ATOM 1348 OH TYR A 102 -6.386 3.978 9.538 1.00 0.00 O ATOM 0 H TYR A 102 -9.081 3.785 3.006 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.742 2.146 3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.686 2.270 4.657 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.823 0.766 4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.374 4.450 5.499 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.608 0.507 6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -7.391 5.370 7.549 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.623 1.426 8.951 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.088 3.245 10.116 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.905 0.475 2.156 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.932 -0.636 1.169 1.00 0.00 C ATOM 1360 C PHE A 103 -6.759 -1.957 1.910 1.00 0.00 C ATOM 1361 O PHE A 103 -5.704 -2.207 2.455 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.732 -0.521 0.233 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.657 0.877 -0.359 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.374 1.966 0.440 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -5.878 1.055 -1.707 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.321 3.228 -0.104 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -5.826 2.318 -2.256 1.00 0.00 C ATOM 1368 CZ PHE A 103 -5.550 3.404 -1.450 1.00 0.00 C ATOM 0 H PHE A 103 -5.971 0.745 2.466 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.872 -0.591 0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.814 -0.742 0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.813 -1.258 -0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.194 1.827 1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.092 0.203 -2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.100 4.079 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.001 2.457 -3.313 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.514 4.395 -1.877 1.00 0.00 H new ATOM 1378 N SER A 104 -7.759 -2.787 1.977 1.00 0.00 N ATOM 1379 CA SER A 104 -7.470 -4.063 2.682 1.00 0.00 C ATOM 1380 C SER A 104 -6.768 -4.935 1.645 1.00 0.00 C ATOM 1381 O SER A 104 -7.306 -5.187 0.586 1.00 0.00 O ATOM 1382 CB SER A 104 -8.771 -4.709 3.138 1.00 0.00 C ATOM 1383 OG SER A 104 -9.449 -3.654 3.801 1.00 0.00 O ATOM 0 H SER A 104 -8.699 -2.656 1.604 1.00 0.00 H new ATOM 0 HA SER A 104 -6.857 -3.920 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.347 -5.089 2.295 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.589 -5.551 3.805 1.00 0.00 H new ATOM 0 HG SER A 104 -10.312 -3.978 4.134 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.574 -5.365 1.940 1.00 0.00 N ATOM 1390 CA VAL A 105 -4.871 -6.206 0.936 1.00 0.00 C ATOM 1391 C VAL A 105 -4.669 -7.569 1.565 1.00 0.00 C ATOM 1392 O VAL A 105 -4.070 -7.700 2.614 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.519 -5.588 0.576 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.007 -6.298 -0.670 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -3.722 -4.105 0.252 1.00 0.00 C ATOM 0 H VAL A 105 -5.067 -5.178 2.805 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.455 -6.281 0.019 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.813 -5.690 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.041 -5.881 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.895 -7.362 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.717 -6.160 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.764 -3.654 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.408 -4.007 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.140 -3.597 1.121 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.239 -8.549 0.930 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.108 -9.921 1.486 1.00 0.00 C ATOM 1407 C ASN A 106 -4.634 -10.954 0.463 1.00 0.00 C ATOM 1408 O ASN A 106 -5.203 -11.127 -0.595 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.464 -10.346 2.062 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.600 -9.518 1.449 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -7.667 -8.315 1.607 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -8.525 -10.129 0.760 1.00 0.00 N ATOM 0 H ASN A 106 -5.779 -8.465 0.069 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.341 -9.887 2.259 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.632 -11.405 1.865 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.460 -10.220 3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.297 -9.597 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.476 -11.139 0.623 1.00 0.00 H new ATOM 1419 N VAL A 107 -3.541 -11.586 0.786 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.035 -12.646 -0.129 1.00 0.00 C ATOM 1421 C VAL A 107 -3.801 -13.940 0.168 1.00 0.00 C ATOM 1422 O VAL A 107 -3.963 -14.320 1.310 1.00 0.00 O ATOM 1423 CB VAL A 107 -1.537 -12.855 0.128 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -1.318 -13.191 1.608 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.054 -14.033 -0.723 1.00 0.00 C ATOM 0 H VAL A 107 -2.986 -11.420 1.625 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.181 -12.359 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.987 -11.950 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.254 -13.340 1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.683 -12.370 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.861 -14.102 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.010 -14.194 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.606 -14.931 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.222 -13.813 -1.777 1.00 0.00 H new ATOM 1435 N SER A 108 -4.184 -14.648 -0.860 1.00 0.00 N ATOM 1436 CA SER A 108 -4.954 -15.903 -0.622 1.00 0.00 C ATOM 1437 C SER A 108 -4.032 -17.040 -0.191 1.00 0.00 C ATOM 1438 O SER A 108 -4.209 -18.189 -0.545 1.00 0.00 O ATOM 1439 CB SER A 108 -5.659 -16.281 -1.920 1.00 0.00 C ATOM 1440 OG SER A 108 -6.500 -17.364 -1.549 1.00 0.00 O ATOM 0 H SER A 108 -4.002 -14.418 -1.837 1.00 0.00 H new ATOM 0 HA SER A 108 -5.676 -15.737 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.235 -15.446 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.946 -16.574 -2.691 1.00 0.00 H new ATOM 0 HG SER A 108 -5.979 -18.027 -1.050 1.00 0.00 H new