USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 643 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 Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=0.000384 USER MOD Single : A 21 MET CE :methyl -142:sc= -0.431 (180deg=-2.41!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 37:sc= 0.189 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= -0.143 (180deg=-0.701) USER MOD Single : A 52 ASN : amide:sc= -2.65 K(o=-2.7,f=-6!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.482 USER MOD Single : A 59 ASN : amide:sc= -0.147 K(o=-0.15,f=-0.83) USER MOD Single : A 60 ASN : amide:sc= -1.03 K(o=-1,f=-4.9!) USER MOD Single : A 62 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.14) USER MOD Single : A 65 HIS : no HD1:sc= -3.07 X(o=-3.1,f=-3) USER MOD Single : A 74 ASN : amide:sc= -1.93 K(o=-1.9,f=-9.4!) USER MOD Single : A 76 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A 80 THR OG1 : rot -47:sc= -0.0324 USER MOD Single : A 91 LYS NZ :NH3+ 177:sc= 0.241 (180deg=0.238) USER MOD Single : A 92 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.4!) USER MOD Single : A 93 THR OG1 : rot 61:sc= 0.73 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 98 GLN :FLIP amide:sc= -2.3! C(o=-3.9!,f=-2.3!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -16.316 -9.095 -2.344 1.00 0.00 N ATOM 183 CA SER A 15 -16.327 -7.719 -2.828 1.00 0.00 C ATOM 184 C SER A 15 -14.922 -7.126 -2.810 1.00 0.00 C ATOM 185 O SER A 15 -14.039 -7.612 -2.102 1.00 0.00 O ATOM 186 CB SER A 15 -17.265 -6.864 -1.975 1.00 0.00 C ATOM 187 OG SER A 15 -18.253 -6.237 -2.774 1.00 0.00 O ATOM 0 HA SER A 15 -16.687 -7.724 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.745 -7.487 -1.221 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.689 -6.107 -1.443 1.00 0.00 H new ATOM 0 HG SER A 15 -18.841 -5.698 -2.204 1.00 0.00 H new ATOM 193 N VAL A 16 -14.721 -6.072 -3.595 1.00 0.00 N ATOM 194 CA VAL A 16 -13.424 -5.410 -3.669 1.00 0.00 C ATOM 195 C VAL A 16 -13.573 -3.896 -3.571 1.00 0.00 C ATOM 196 O VAL A 16 -14.533 -3.321 -4.083 1.00 0.00 O ATOM 197 CB VAL A 16 -12.690 -5.759 -4.978 1.00 0.00 C ATOM 198 CG1 VAL A 16 -12.041 -4.519 -5.573 1.00 0.00 C ATOM 199 CG2 VAL A 16 -11.656 -6.847 -4.734 1.00 0.00 C ATOM 0 H VAL A 16 -15.440 -5.658 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.836 -5.770 -2.824 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.420 -6.137 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.527 -4.785 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.807 -3.774 -5.786 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.322 -4.108 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.147 -7.081 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.928 -6.499 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.151 -7.742 -4.356 1.00 0.00 H new ATOM 209 N THR A 17 -12.615 -3.254 -2.909 1.00 0.00 N ATOM 210 CA THR A 17 -12.639 -1.807 -2.742 1.00 0.00 C ATOM 211 C THR A 17 -11.441 -1.155 -3.422 1.00 0.00 C ATOM 212 O THR A 17 -10.404 -1.790 -3.619 1.00 0.00 O ATOM 213 CB THR A 17 -12.647 -1.413 -1.253 1.00 0.00 C ATOM 214 OG1 THR A 17 -13.721 -2.075 -0.577 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.792 0.093 -1.093 1.00 0.00 C ATOM 0 H THR A 17 -11.812 -3.715 -2.480 1.00 0.00 H new ATOM 0 HA THR A 17 -13.557 -1.450 -3.209 1.00 0.00 H new ATOM 0 HB THR A 17 -11.698 -1.720 -0.813 1.00 0.00 H new ATOM 0 HG1 THR A 17 -13.718 -1.821 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.795 0.348 -0.033 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.957 0.593 -1.584 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.728 0.419 -1.547 1.00 0.00 H new ATOM 223 N LEU A 18 -11.589 0.116 -3.780 1.00 0.00 N ATOM 224 CA LEU A 18 -10.517 0.855 -4.438 1.00 0.00 C ATOM 225 C LEU A 18 -10.368 2.249 -3.837 1.00 0.00 C ATOM 226 O LEU A 18 -11.331 2.822 -3.327 1.00 0.00 O ATOM 227 CB LEU A 18 -10.791 0.961 -5.939 1.00 0.00 C ATOM 228 CG LEU A 18 -9.613 1.405 -6.807 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.803 0.202 -7.264 1.00 0.00 C ATOM 230 CD2 LEU A 18 -10.105 2.205 -8.005 1.00 0.00 C ATOM 0 H LEU A 18 -12.440 0.656 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.585 0.311 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.133 -0.011 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.612 1.662 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.966 2.046 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.969 0.538 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.420 -0.330 -6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.439 -0.465 -7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.253 2.513 -8.612 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.774 1.588 -8.605 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.641 3.088 -7.657 1.00 0.00 H new ATOM 242 N ILE A 19 -9.156 2.789 -3.903 1.00 0.00 N ATOM 243 CA ILE A 19 -8.882 4.117 -3.368 1.00 0.00 C ATOM 244 C ILE A 19 -7.961 4.904 -4.295 1.00 0.00 C ATOM 245 O ILE A 19 -6.839 4.483 -4.576 1.00 0.00 O ATOM 246 CB ILE A 19 -8.240 4.040 -1.970 1.00 0.00 C ATOM 247 CG1 ILE A 19 -7.143 2.974 -1.947 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.297 3.742 -0.918 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.421 1.841 -0.984 1.00 0.00 C ATOM 0 H ILE A 19 -8.348 2.328 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.841 4.630 -3.291 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.788 5.005 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.023 2.566 -2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.197 3.444 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.828 3.691 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -10.047 4.533 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.775 2.788 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.602 1.123 -1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.511 2.237 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.351 1.345 -1.264 1.00 0.00 H new ATOM 261 N SER A 20 -8.443 6.050 -4.765 1.00 0.00 N ATOM 262 CA SER A 20 -7.664 6.896 -5.662 1.00 0.00 C ATOM 263 C SER A 20 -7.302 8.215 -4.986 1.00 0.00 C ATOM 264 O SER A 20 -8.120 9.132 -4.912 1.00 0.00 O ATOM 265 CB SER A 20 -8.446 7.167 -6.949 1.00 0.00 C ATOM 266 OG SER A 20 -9.842 7.183 -6.704 1.00 0.00 O ATOM 0 H SER A 20 -9.369 6.414 -4.540 1.00 0.00 H new ATOM 0 HA SER A 20 -6.742 6.369 -5.910 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.137 8.123 -7.372 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.212 6.401 -7.688 1.00 0.00 H new ATOM 0 HG SER A 20 -10.319 7.360 -7.542 1.00 0.00 H new ATOM 272 N MET A 21 -6.071 8.303 -4.495 1.00 0.00 N ATOM 273 CA MET A 21 -5.599 9.510 -3.826 1.00 0.00 C ATOM 274 C MET A 21 -4.426 10.127 -4.582 1.00 0.00 C ATOM 275 O MET A 21 -3.584 9.428 -5.147 1.00 0.00 O ATOM 276 CB MET A 21 -5.184 9.193 -2.388 1.00 0.00 C ATOM 277 CG MET A 21 -5.869 7.963 -1.815 1.00 0.00 C ATOM 278 SD MET A 21 -4.879 6.467 -2.000 1.00 0.00 S ATOM 279 CE MET A 21 -4.493 6.103 -0.290 1.00 0.00 C ATOM 0 H MET A 21 -5.382 7.553 -4.548 1.00 0.00 H new ATOM 0 HA MET A 21 -6.417 10.230 -3.810 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.104 9.047 -2.354 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.409 10.052 -1.756 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.078 8.127 -0.758 1.00 0.00 H new ATOM 0 HG3 MET A 21 -6.829 7.822 -2.311 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.472 5.729 -0.219 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.589 7.011 0.306 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.183 5.348 0.086 1.00 0.00 H new ATOM 289 N PRO A 22 -4.368 11.467 -4.594 1.00 0.00 N ATOM 290 CA PRO A 22 -3.302 12.207 -5.276 1.00 0.00 C ATOM 291 C PRO A 22 -1.954 12.056 -4.580 1.00 0.00 C ATOM 292 O PRO A 22 -1.869 11.505 -3.483 1.00 0.00 O ATOM 293 CB PRO A 22 -3.779 13.659 -5.209 1.00 0.00 C ATOM 294 CG PRO A 22 -4.673 13.710 -4.018 1.00 0.00 C ATOM 295 CD PRO A 22 -5.337 12.363 -3.941 1.00 0.00 C ATOM 0 HA PRO A 22 -3.139 11.844 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.940 14.347 -5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.312 13.943 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.104 13.917 -3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.412 14.504 -4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.526 12.067 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.298 12.359 -4.455 1.00 0.00 H new ATOM 303 N ALA A 23 -0.902 12.550 -5.224 1.00 0.00 N ATOM 304 CA ALA A 23 0.442 12.473 -4.665 1.00 0.00 C ATOM 305 C ALA A 23 0.619 13.467 -3.522 1.00 0.00 C ATOM 306 O ALA A 23 -0.355 14.010 -3.000 1.00 0.00 O ATOM 307 CB ALA A 23 1.480 12.722 -5.749 1.00 0.00 C ATOM 0 H ALA A 23 -0.955 13.008 -6.134 1.00 0.00 H new ATOM 0 HA ALA A 23 0.585 11.469 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.479 12.661 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.377 11.970 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.329 13.713 -6.176 1.00 0.00 H new ATOM 391 N ARG A 29 5.088 9.435 3.577 1.00 0.00 N ATOM 392 CA ARG A 29 3.868 8.666 3.366 1.00 0.00 C ATOM 393 C ARG A 29 2.969 8.724 4.598 1.00 0.00 C ATOM 394 O ARG A 29 3.426 9.029 5.699 1.00 0.00 O ATOM 395 CB ARG A 29 4.206 7.212 3.037 1.00 0.00 C ATOM 396 CG ARG A 29 4.512 6.975 1.567 1.00 0.00 C ATOM 397 CD ARG A 29 5.589 7.922 1.063 1.00 0.00 C ATOM 398 NE ARG A 29 6.839 7.775 1.804 1.00 0.00 N ATOM 399 CZ ARG A 29 7.786 8.705 1.840 1.00 0.00 C ATOM 400 NH1 ARG A 29 7.627 9.844 1.180 1.00 0.00 N ATOM 401 NH2 ARG A 29 8.896 8.497 2.537 1.00 0.00 N ATOM 0 HA ARG A 29 3.332 9.106 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.065 6.904 3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.370 6.578 3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.836 5.944 1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.604 7.109 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.771 7.734 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.236 8.950 1.148 1.00 0.00 H new ATOM 0 HE ARG A 29 6.993 6.910 2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.775 10.008 0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.356 10.557 1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.022 7.622 3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.623 9.212 2.564 1.00 0.00 H new ATOM 415 N GLY A 30 1.687 8.430 4.404 1.00 0.00 N ATOM 416 CA GLY A 30 0.744 8.455 5.507 1.00 0.00 C ATOM 417 C GLY A 30 0.399 7.066 6.006 1.00 0.00 C ATOM 418 O GLY A 30 -0.377 6.913 6.950 1.00 0.00 O ATOM 0 H GLY A 30 1.284 8.175 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.164 9.038 6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.168 8.961 5.190 1.00 0.00 H new ATOM 422 N PHE A 31 0.975 6.051 5.371 1.00 0.00 N ATOM 423 CA PHE A 31 0.722 4.667 5.755 1.00 0.00 C ATOM 424 C PHE A 31 1.868 3.762 5.315 1.00 0.00 C ATOM 425 O PHE A 31 2.333 3.840 4.178 1.00 0.00 O ATOM 426 CB PHE A 31 -0.593 4.178 5.143 1.00 0.00 C ATOM 427 CG PHE A 31 -0.512 3.939 3.662 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.450 5.004 2.778 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.499 2.650 3.155 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.377 4.786 1.415 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.425 2.426 1.793 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.363 3.496 0.922 1.00 0.00 C ATOM 0 H PHE A 31 1.620 6.161 4.588 1.00 0.00 H new ATOM 0 HA PHE A 31 0.647 4.626 6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.893 3.253 5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.373 4.913 5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.459 6.015 3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.547 1.810 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.331 5.624 0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.416 1.416 1.411 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.304 3.324 -0.143 1.00 0.00 H new ATOM 442 N SER A 32 2.319 2.903 6.224 1.00 0.00 N ATOM 443 CA SER A 32 3.414 1.986 5.932 1.00 0.00 C ATOM 444 C SER A 32 2.883 0.599 5.581 1.00 0.00 C ATOM 445 O SER A 32 1.879 0.149 6.133 1.00 0.00 O ATOM 446 CB SER A 32 4.363 1.893 7.128 1.00 0.00 C ATOM 447 OG SER A 32 4.641 3.177 7.659 1.00 0.00 O ATOM 0 H SER A 32 1.943 2.823 7.169 1.00 0.00 H new ATOM 0 HA SER A 32 3.961 2.375 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.919 1.265 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.293 1.413 6.822 1.00 0.00 H new ATOM 0 HG SER A 32 5.248 3.090 8.423 1.00 0.00 H new ATOM 453 N VAL A 33 3.564 -0.073 4.659 1.00 0.00 N ATOM 454 CA VAL A 33 3.162 -1.409 4.234 1.00 0.00 C ATOM 455 C VAL A 33 4.252 -2.432 4.535 1.00 0.00 C ATOM 456 O VAL A 33 5.365 -2.075 4.922 1.00 0.00 O ATOM 457 CB VAL A 33 2.840 -1.446 2.728 1.00 0.00 C ATOM 458 CG1 VAL A 33 1.846 -0.352 2.368 1.00 0.00 C ATOM 459 CG2 VAL A 33 4.114 -1.312 1.908 1.00 0.00 C ATOM 0 H VAL A 33 4.397 0.285 4.192 1.00 0.00 H new ATOM 0 HA VAL A 33 2.263 -1.663 4.796 1.00 0.00 H new ATOM 0 HB VAL A 33 2.385 -2.408 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.630 -0.393 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.924 -0.499 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.271 0.621 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.868 -1.340 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.600 -0.365 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.788 -2.135 2.146 1.00 0.00 H new ATOM 469 N THR A 34 3.924 -3.708 4.355 1.00 0.00 N ATOM 470 CA THR A 34 4.874 -4.784 4.607 1.00 0.00 C ATOM 471 C THR A 34 4.975 -5.721 3.409 1.00 0.00 C ATOM 472 O THR A 34 3.970 -6.254 2.939 1.00 0.00 O ATOM 473 CB THR A 34 4.479 -5.602 5.851 1.00 0.00 C ATOM 474 OG1 THR A 34 4.864 -4.902 7.040 1.00 0.00 O ATOM 475 CG2 THR A 34 5.136 -6.973 5.829 1.00 0.00 C ATOM 0 H THR A 34 3.007 -4.021 4.036 1.00 0.00 H new ATOM 0 HA THR A 34 5.843 -4.315 4.781 1.00 0.00 H new ATOM 0 HB THR A 34 3.397 -5.735 5.842 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.608 -5.428 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.842 -7.532 6.718 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.818 -7.515 4.938 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.220 -6.857 5.816 1.00 0.00 H new ATOM 483 N VAL A 35 6.194 -5.917 2.918 1.00 0.00 N ATOM 484 CA VAL A 35 6.427 -6.792 1.775 1.00 0.00 C ATOM 485 C VAL A 35 7.249 -8.012 2.174 1.00 0.00 C ATOM 486 O VAL A 35 8.430 -7.896 2.498 1.00 0.00 O ATOM 487 CB VAL A 35 7.151 -6.047 0.637 1.00 0.00 C ATOM 488 CG1 VAL A 35 7.728 -7.036 -0.365 1.00 0.00 C ATOM 489 CG2 VAL A 35 6.206 -5.072 -0.048 1.00 0.00 C ATOM 0 H VAL A 35 7.036 -5.481 3.294 1.00 0.00 H new ATOM 0 HA VAL A 35 5.449 -7.118 1.421 1.00 0.00 H new ATOM 0 HB VAL A 35 7.975 -5.477 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.236 -6.492 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.440 -7.690 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.923 -7.635 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.734 -4.555 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.360 -5.618 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.846 -4.344 0.678 1.00 0.00 H new ATOM 499 N GLU A 36 6.615 -9.180 2.148 1.00 0.00 N ATOM 500 CA GLU A 36 7.290 -10.422 2.508 1.00 0.00 C ATOM 501 C GLU A 36 7.578 -11.263 1.268 1.00 0.00 C ATOM 502 O GLU A 36 6.721 -11.422 0.399 1.00 0.00 O ATOM 503 CB GLU A 36 6.438 -11.223 3.494 1.00 0.00 C ATOM 504 CG GLU A 36 6.551 -10.739 4.930 1.00 0.00 C ATOM 505 CD GLU A 36 7.643 -11.453 5.702 1.00 0.00 C ATOM 506 OE1 GLU A 36 8.513 -12.078 5.058 1.00 0.00 O ATOM 507 OE2 GLU A 36 7.629 -11.388 6.949 1.00 0.00 O ATOM 0 H GLU A 36 5.637 -9.292 1.882 1.00 0.00 H new ATOM 0 HA GLU A 36 8.238 -10.167 2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.394 -11.172 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.734 -12.271 3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.750 -9.667 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.597 -10.888 5.436 1.00 0.00 H new ATOM 514 N SER A 37 8.792 -11.799 1.193 1.00 0.00 N ATOM 515 CA SER A 37 9.196 -12.621 0.058 1.00 0.00 C ATOM 516 C SER A 37 9.688 -13.988 0.525 1.00 0.00 C ATOM 517 O SER A 37 10.275 -14.115 1.599 1.00 0.00 O ATOM 518 CB SER A 37 10.295 -11.918 -0.742 1.00 0.00 C ATOM 519 OG SER A 37 11.550 -12.032 -0.095 1.00 0.00 O ATOM 0 H SER A 37 9.513 -11.679 1.905 1.00 0.00 H new ATOM 0 HA SER A 37 8.326 -12.766 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.356 -12.352 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.041 -10.865 -0.867 1.00 0.00 H new ATOM 0 HG SER A 37 12.235 -11.576 -0.627 1.00 0.00 H new ATOM 571 N TYR A 42 11.051 -11.405 -6.626 1.00 0.00 N ATOM 572 CA TYR A 42 9.806 -10.662 -6.781 1.00 0.00 C ATOM 573 C TYR A 42 8.893 -10.872 -5.577 1.00 0.00 C ATOM 574 O TYR A 42 8.719 -11.994 -5.104 1.00 0.00 O ATOM 575 CB TYR A 42 9.088 -11.091 -8.061 1.00 0.00 C ATOM 576 CG TYR A 42 8.978 -12.591 -8.220 1.00 0.00 C ATOM 577 CD1 TYR A 42 10.065 -13.345 -8.646 1.00 0.00 C ATOM 578 CD2 TYR A 42 7.789 -13.253 -7.944 1.00 0.00 C ATOM 579 CE1 TYR A 42 9.969 -14.716 -8.794 1.00 0.00 C ATOM 580 CE2 TYR A 42 7.684 -14.623 -8.087 1.00 0.00 C ATOM 581 CZ TYR A 42 8.776 -15.350 -8.513 1.00 0.00 C ATOM 582 OH TYR A 42 8.677 -16.715 -8.657 1.00 0.00 O ATOM 0 HA TYR A 42 10.051 -9.602 -6.848 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.087 -10.659 -8.069 1.00 0.00 H new ATOM 0 HB3 TYR A 42 9.619 -10.681 -8.920 1.00 0.00 H new ATOM 0 HD1 TYR A 42 11.000 -12.852 -8.865 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.931 -12.687 -7.612 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.823 -15.288 -9.128 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.752 -15.122 -7.866 1.00 0.00 H new ATOM 0 HH TYR A 42 7.772 -17.004 -8.418 1.00 0.00 H new ATOM 592 N ALA A 43 8.311 -9.782 -5.087 1.00 0.00 N ATOM 593 CA ALA A 43 7.413 -9.845 -3.941 1.00 0.00 C ATOM 594 C ALA A 43 6.386 -10.960 -4.109 1.00 0.00 C ATOM 595 O ALA A 43 6.228 -11.515 -5.197 1.00 0.00 O ATOM 596 CB ALA A 43 6.715 -8.508 -3.742 1.00 0.00 C ATOM 0 H ALA A 43 8.446 -8.845 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 43 8.009 -10.066 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.048 -8.570 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.460 -7.731 -3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.137 -8.263 -4.633 1.00 0.00 H new ATOM 602 N THR A 44 5.688 -11.284 -3.025 1.00 0.00 N ATOM 603 CA THR A 44 4.678 -12.334 -3.052 1.00 0.00 C ATOM 604 C THR A 44 3.455 -11.941 -2.231 1.00 0.00 C ATOM 605 O THR A 44 2.318 -12.105 -2.673 1.00 0.00 O ATOM 606 CB THR A 44 5.236 -13.666 -2.515 1.00 0.00 C ATOM 607 OG1 THR A 44 6.206 -13.413 -1.492 1.00 0.00 O ATOM 608 CG2 THR A 44 5.872 -14.476 -3.634 1.00 0.00 C ATOM 0 H THR A 44 5.804 -10.834 -2.117 1.00 0.00 H new ATOM 0 HA THR A 44 4.387 -12.465 -4.094 1.00 0.00 H new ATOM 0 HB THR A 44 4.409 -14.240 -2.097 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.925 -12.640 -0.959 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.259 -15.412 -3.231 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.125 -14.691 -4.398 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.689 -13.906 -4.076 1.00 0.00 H new ATOM 616 N THR A 45 3.695 -11.421 -1.031 1.00 0.00 N ATOM 617 CA THR A 45 2.613 -11.005 -0.148 1.00 0.00 C ATOM 618 C THR A 45 2.789 -9.555 0.291 1.00 0.00 C ATOM 619 O THR A 45 3.908 -9.097 0.521 1.00 0.00 O ATOM 620 CB THR A 45 2.532 -11.901 1.102 1.00 0.00 C ATOM 621 OG1 THR A 45 2.447 -13.277 0.713 1.00 0.00 O ATOM 622 CG2 THR A 45 1.327 -11.534 1.954 1.00 0.00 C ATOM 0 H THR A 45 4.630 -11.278 -0.649 1.00 0.00 H new ATOM 0 HA THR A 45 1.687 -11.101 -0.715 1.00 0.00 H new ATOM 0 HB THR A 45 3.435 -11.746 1.693 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.398 -13.841 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.291 -12.180 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.409 -10.495 2.272 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.416 -11.663 1.370 1.00 0.00 H new ATOM 630 N VAL A 46 1.676 -8.838 0.407 1.00 0.00 N ATOM 631 CA VAL A 46 1.706 -7.440 0.820 1.00 0.00 C ATOM 632 C VAL A 46 0.626 -7.150 1.856 1.00 0.00 C ATOM 633 O VAL A 46 -0.566 -7.254 1.570 1.00 0.00 O ATOM 634 CB VAL A 46 1.517 -6.495 -0.381 1.00 0.00 C ATOM 635 CG1 VAL A 46 1.237 -5.077 0.094 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.740 -6.532 -1.285 1.00 0.00 C ATOM 0 H VAL A 46 0.742 -9.202 0.221 1.00 0.00 H new ATOM 0 HA VAL A 46 2.686 -7.262 1.262 1.00 0.00 H new ATOM 0 HB VAL A 46 0.657 -6.835 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.106 -4.424 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.329 -5.068 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.075 -4.722 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.589 -5.858 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.618 -6.217 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.890 -7.547 -1.653 1.00 0.00 H new ATOM 646 N GLN A 47 1.053 -6.785 3.061 1.00 0.00 N ATOM 647 CA GLN A 47 0.121 -6.480 4.141 1.00 0.00 C ATOM 648 C GLN A 47 0.388 -5.092 4.713 1.00 0.00 C ATOM 649 O GLN A 47 1.538 -4.692 4.889 1.00 0.00 O ATOM 650 CB GLN A 47 0.228 -7.531 5.248 1.00 0.00 C ATOM 651 CG GLN A 47 1.620 -7.640 5.850 1.00 0.00 C ATOM 652 CD GLN A 47 1.959 -9.053 6.282 1.00 0.00 C ATOM 653 OE1 GLN A 47 2.091 -9.335 7.473 1.00 0.00 O ATOM 654 NE2 GLN A 47 2.101 -9.951 5.314 1.00 0.00 N ATOM 0 H GLN A 47 2.037 -6.693 3.314 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.889 -6.496 3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.483 -7.288 6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.062 -8.502 4.846 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.355 -7.301 5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.693 -6.974 6.710 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.983 -9.674 4.340 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.328 -10.918 5.545 1.00 0.00 H new ATOM 663 N VAL A 48 -0.684 -4.361 5.003 1.00 0.00 N ATOM 664 CA VAL A 48 -0.567 -3.017 5.557 1.00 0.00 C ATOM 665 C VAL A 48 -0.219 -3.063 7.041 1.00 0.00 C ATOM 666 O VAL A 48 -1.033 -3.474 7.868 1.00 0.00 O ATOM 667 CB VAL A 48 -1.869 -2.217 5.370 1.00 0.00 C ATOM 668 CG1 VAL A 48 -1.707 -0.801 5.902 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.280 -2.202 3.906 1.00 0.00 C ATOM 0 H VAL A 48 -1.644 -4.677 4.863 1.00 0.00 H new ATOM 0 HA VAL A 48 0.236 -2.519 5.014 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.660 -2.705 5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.637 -0.251 5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.464 -0.837 6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.904 -0.299 5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.202 -1.632 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.492 -1.739 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.441 -3.224 3.563 1.00 0.00 H new ATOM 679 N LYS A 49 0.996 -2.637 7.371 1.00 0.00 N ATOM 680 CA LYS A 49 1.453 -2.627 8.756 1.00 0.00 C ATOM 681 C LYS A 49 0.638 -1.644 9.590 1.00 0.00 C ATOM 682 O LYS A 49 -0.118 -2.045 10.475 1.00 0.00 O ATOM 683 CB LYS A 49 2.937 -2.260 8.822 1.00 0.00 C ATOM 684 CG LYS A 49 3.465 -2.113 10.239 1.00 0.00 C ATOM 685 CD LYS A 49 4.928 -2.513 10.333 1.00 0.00 C ATOM 686 CE LYS A 49 5.082 -3.998 10.626 1.00 0.00 C ATOM 687 NZ LYS A 49 4.476 -4.371 11.935 1.00 0.00 N ATOM 0 H LYS A 49 1.682 -2.294 6.698 1.00 0.00 H new ATOM 0 HA LYS A 49 1.314 -3.627 9.166 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.515 -3.026 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.096 -1.325 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.347 -1.080 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.874 -2.731 10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.433 -2.271 9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.415 -1.934 11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.612 -4.576 9.830 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.140 -4.260 10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.961 -5.209 12.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.576 -3.580 12.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.467 -4.586 11.802 1.00 0.00 H new ATOM 701 N GLU A 50 0.795 -0.356 9.301 1.00 0.00 N ATOM 702 CA GLU A 50 0.073 0.683 10.026 1.00 0.00 C ATOM 703 C GLU A 50 -0.554 1.684 9.060 1.00 0.00 C ATOM 704 O GLU A 50 -0.295 1.649 7.857 1.00 0.00 O ATOM 705 CB GLU A 50 1.011 1.409 10.992 1.00 0.00 C ATOM 706 CG GLU A 50 1.461 0.551 12.163 1.00 0.00 C ATOM 707 CD GLU A 50 0.889 1.024 13.485 1.00 0.00 C ATOM 708 OE1 GLU A 50 1.292 2.110 13.952 1.00 0.00 O ATOM 709 OE2 GLU A 50 0.038 0.308 14.054 1.00 0.00 O ATOM 0 H GLU A 50 1.415 -0.007 8.570 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.724 0.205 10.596 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.889 1.751 10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.508 2.297 11.375 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.159 -0.482 11.989 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.550 0.560 12.218 1.00 0.00 H new ATOM 716 N VAL A 51 -1.380 2.577 9.596 1.00 0.00 N ATOM 717 CA VAL A 51 -2.044 3.589 8.782 1.00 0.00 C ATOM 718 C VAL A 51 -2.407 4.812 9.616 1.00 0.00 C ATOM 719 O VAL A 51 -2.981 4.691 10.698 1.00 0.00 O ATOM 720 CB VAL A 51 -3.321 3.032 8.126 1.00 0.00 C ATOM 721 CG1 VAL A 51 -3.839 3.992 7.066 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.057 1.658 7.528 1.00 0.00 C ATOM 0 H VAL A 51 -1.605 2.620 10.590 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.341 3.880 8.002 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.087 2.928 8.894 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.742 3.582 6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.069 4.953 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.078 4.130 6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.970 1.280 7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.275 1.734 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.736 0.975 8.314 1.00 0.00 H new ATOM 732 N ASN A 52 -2.069 5.991 9.105 1.00 0.00 N ATOM 733 CA ASN A 52 -2.359 7.239 9.802 1.00 0.00 C ATOM 734 C ASN A 52 -3.518 7.976 9.139 1.00 0.00 C ATOM 735 O ASN A 52 -3.478 8.271 7.944 1.00 0.00 O ATOM 736 CB ASN A 52 -1.118 8.134 9.828 1.00 0.00 C ATOM 737 CG ASN A 52 -1.269 9.356 8.943 1.00 0.00 C ATOM 738 OD1 ASN A 52 -1.249 9.255 7.716 1.00 0.00 O ATOM 739 ND2 ASN A 52 -1.421 10.520 9.564 1.00 0.00 N ATOM 0 H ASN A 52 -1.594 6.109 8.210 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.645 6.996 10.826 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.924 8.452 10.852 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.251 7.558 9.503 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.527 11.377 9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.432 10.557 10.583 1.00 0.00 H new ATOM 746 N ARG A 53 -4.550 8.272 9.922 1.00 0.00 N ATOM 747 CA ARG A 53 -5.721 8.974 9.411 1.00 0.00 C ATOM 748 C ARG A 53 -5.490 10.482 9.404 1.00 0.00 C ATOM 749 O ARG A 53 -6.119 11.213 8.639 1.00 0.00 O ATOM 750 CB ARG A 53 -6.952 8.640 10.256 1.00 0.00 C ATOM 751 CG ARG A 53 -6.845 7.312 10.989 1.00 0.00 C ATOM 752 CD ARG A 53 -6.426 7.508 12.437 1.00 0.00 C ATOM 753 NE ARG A 53 -7.506 8.061 13.250 1.00 0.00 N ATOM 754 CZ ARG A 53 -7.518 8.027 14.578 1.00 0.00 C ATOM 755 NH1 ARG A 53 -6.513 7.469 15.239 1.00 0.00 N ATOM 756 NH2 ARG A 53 -8.537 8.551 15.247 1.00 0.00 N ATOM 0 H ARG A 53 -4.599 8.036 10.913 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.892 8.645 8.386 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.109 9.436 10.984 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.830 8.620 9.611 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.805 6.797 10.953 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.121 6.673 10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.110 6.552 12.855 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.564 8.174 12.478 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.294 8.497 12.772 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.728 7.065 14.728 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.525 7.444 16.259 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.312 8.980 14.742 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.545 8.524 16.267 1.00 0.00 H new ATOM 770 N MET A 54 -4.585 10.941 10.263 1.00 0.00 N ATOM 771 CA MET A 54 -4.271 12.362 10.354 1.00 0.00 C ATOM 772 C MET A 54 -4.010 12.952 8.972 1.00 0.00 C ATOM 773 O MET A 54 -4.175 14.153 8.757 1.00 0.00 O ATOM 774 CB MET A 54 -3.053 12.580 11.254 1.00 0.00 C ATOM 775 CG MET A 54 -3.286 13.601 12.356 1.00 0.00 C ATOM 776 SD MET A 54 -4.650 13.147 13.445 1.00 0.00 S ATOM 777 CE MET A 54 -5.623 14.651 13.413 1.00 0.00 C ATOM 0 H MET A 54 -4.057 10.350 10.905 1.00 0.00 H new ATOM 0 HA MET A 54 -5.131 12.871 10.789 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.770 11.629 11.705 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.212 12.905 10.641 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.375 13.708 12.946 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.492 14.573 11.908 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.505 14.527 14.042 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.023 15.480 13.788 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.934 14.862 12.390 1.00 0.00 H new ATOM 787 N HIS A 55 -3.600 12.099 8.038 1.00 0.00 N ATOM 788 CA HIS A 55 -3.316 12.536 6.676 1.00 0.00 C ATOM 789 C HIS A 55 -4.356 11.991 5.702 1.00 0.00 C ATOM 790 O HIS A 55 -4.759 12.677 4.761 1.00 0.00 O ATOM 791 CB HIS A 55 -1.918 12.083 6.253 1.00 0.00 C ATOM 792 CG HIS A 55 -0.974 13.216 5.992 1.00 0.00 C ATOM 793 ND1 HIS A 55 -0.249 13.837 6.987 1.00 0.00 N ATOM 794 CD2 HIS A 55 -0.637 13.840 4.839 1.00 0.00 C ATOM 795 CE1 HIS A 55 0.491 14.794 6.458 1.00 0.00 C ATOM 796 NE2 HIS A 55 0.275 14.816 5.155 1.00 0.00 N ATOM 0 H HIS A 55 -3.457 11.102 8.200 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.359 13.625 6.654 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.500 11.445 7.032 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.999 11.474 5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.015 13.612 3.853 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.159 15.448 6.999 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.714 15.454 4.492 1.00 0.00 H new ATOM 805 N ILE A 56 -4.786 10.756 5.933 1.00 0.00 N ATOM 806 CA ILE A 56 -5.779 10.120 5.077 1.00 0.00 C ATOM 807 C ILE A 56 -7.171 10.685 5.336 1.00 0.00 C ATOM 808 O ILE A 56 -7.567 10.888 6.483 1.00 0.00 O ATOM 809 CB ILE A 56 -5.810 8.594 5.287 1.00 0.00 C ATOM 810 CG1 ILE A 56 -4.427 7.994 5.025 1.00 0.00 C ATOM 811 CG2 ILE A 56 -6.851 7.956 4.379 1.00 0.00 C ATOM 812 CD1 ILE A 56 -4.346 6.512 5.319 1.00 0.00 C ATOM 0 H ILE A 56 -4.462 10.175 6.706 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.489 10.331 4.048 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.084 8.389 6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.157 8.165 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.691 8.518 5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.861 6.878 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.834 8.366 4.609 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.604 8.166 3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.338 6.154 5.111 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.584 6.336 6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.058 5.977 4.690 1.00 0.00 H new ATOM 824 N SER A 57 -7.911 10.936 4.260 1.00 0.00 N ATOM 825 CA SER A 57 -9.260 11.481 4.371 1.00 0.00 C ATOM 826 C SER A 57 -10.219 10.442 4.945 1.00 0.00 C ATOM 827 O SER A 57 -9.915 9.252 5.018 1.00 0.00 O ATOM 828 CB SER A 57 -9.757 11.949 3.002 1.00 0.00 C ATOM 829 OG SER A 57 -9.905 13.358 2.968 1.00 0.00 O ATOM 0 H SER A 57 -7.600 10.771 3.303 1.00 0.00 H new ATOM 0 HA SER A 57 -9.227 12.334 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.055 11.635 2.230 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.712 11.474 2.776 1.00 0.00 H new ATOM 0 HG SER A 57 -10.222 13.632 2.082 1.00 0.00 H new ATOM 835 N PRO A 58 -11.407 10.903 5.363 1.00 0.00 N ATOM 836 CA PRO A 58 -12.437 10.032 5.938 1.00 0.00 C ATOM 837 C PRO A 58 -13.053 9.101 4.900 1.00 0.00 C ATOM 838 O PRO A 58 -13.931 8.298 5.216 1.00 0.00 O ATOM 839 CB PRO A 58 -13.484 11.018 6.461 1.00 0.00 C ATOM 840 CG PRO A 58 -13.305 12.239 5.626 1.00 0.00 C ATOM 841 CD PRO A 58 -11.838 12.310 5.306 1.00 0.00 C ATOM 0 HA PRO A 58 -12.032 9.373 6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -14.492 10.615 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -13.330 11.235 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.901 12.180 4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -13.631 13.130 6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.662 12.744 4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.299 12.925 6.027 1.00 0.00 H new ATOM 849 N ASN A 59 -12.588 9.212 3.660 1.00 0.00 N ATOM 850 CA ASN A 59 -13.094 8.379 2.575 1.00 0.00 C ATOM 851 C ASN A 59 -12.153 7.210 2.303 1.00 0.00 C ATOM 852 O ASN A 59 -12.595 6.099 2.012 1.00 0.00 O ATOM 853 CB ASN A 59 -13.272 9.213 1.305 1.00 0.00 C ATOM 854 CG ASN A 59 -14.727 9.344 0.898 1.00 0.00 C ATOM 855 OD1 ASN A 59 -15.520 8.421 1.084 1.00 0.00 O ATOM 856 ND2 ASN A 59 -15.083 10.494 0.339 1.00 0.00 N ATOM 0 H ASN A 59 -11.861 9.871 3.381 1.00 0.00 H new ATOM 0 HA ASN A 59 -14.062 7.979 2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.851 10.206 1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.710 8.755 0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -16.048 10.640 0.044 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.391 11.231 0.205 1.00 0.00 H new ATOM 863 N ASN A 60 -10.853 7.469 2.399 1.00 0.00 N ATOM 864 CA ASN A 60 -9.849 6.438 2.163 1.00 0.00 C ATOM 865 C ASN A 60 -9.664 5.565 3.401 1.00 0.00 C ATOM 866 O ASN A 60 -9.230 4.417 3.304 1.00 0.00 O ATOM 867 CB ASN A 60 -8.515 7.077 1.772 1.00 0.00 C ATOM 868 CG ASN A 60 -8.513 7.582 0.342 1.00 0.00 C ATOM 869 OD1 ASN A 60 -8.609 6.801 -0.605 1.00 0.00 O ATOM 870 ND2 ASN A 60 -8.405 8.896 0.179 1.00 0.00 N ATOM 0 H ASN A 60 -10.470 8.384 2.638 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.197 5.808 1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.300 7.905 2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.715 6.347 1.898 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.399 9.295 -0.760 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.328 9.506 0.993 1.00 0.00 H new ATOM 877 N ARG A 61 -9.996 6.118 4.563 1.00 0.00 N ATOM 878 CA ARG A 61 -9.866 5.391 5.820 1.00 0.00 C ATOM 879 C ARG A 61 -10.950 4.325 5.946 1.00 0.00 C ATOM 880 O ARG A 61 -10.872 3.443 6.800 1.00 0.00 O ATOM 881 CB ARG A 61 -9.945 6.357 7.003 1.00 0.00 C ATOM 882 CG ARG A 61 -11.153 6.128 7.896 1.00 0.00 C ATOM 883 CD ARG A 61 -11.395 7.312 8.820 1.00 0.00 C ATOM 884 NE ARG A 61 -12.716 7.902 8.618 1.00 0.00 N ATOM 885 CZ ARG A 61 -13.345 8.626 9.536 1.00 0.00 C ATOM 886 NH1 ARG A 61 -12.778 8.848 10.714 1.00 0.00 N ATOM 887 NH2 ARG A 61 -14.545 9.130 9.278 1.00 0.00 N ATOM 0 H ARG A 61 -10.357 7.067 4.660 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.894 4.898 5.827 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.039 6.261 7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.971 7.379 6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.036 5.960 7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.002 5.226 8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.297 6.989 9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.630 8.069 8.648 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.180 7.749 7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.856 8.462 10.917 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.264 9.405 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.985 8.961 8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.027 9.686 9.984 1.00 0.00 H new ATOM 901 N ASN A 62 -11.963 4.414 5.089 1.00 0.00 N ATOM 902 CA ASN A 62 -13.064 3.458 5.105 1.00 0.00 C ATOM 903 C ASN A 62 -12.734 2.233 4.257 1.00 0.00 C ATOM 904 O ASN A 62 -13.257 1.144 4.492 1.00 0.00 O ATOM 905 CB ASN A 62 -14.346 4.117 4.592 1.00 0.00 C ATOM 906 CG ASN A 62 -15.277 4.525 5.718 1.00 0.00 C ATOM 907 OD1 ASN A 62 -15.809 5.635 5.727 1.00 0.00 O ATOM 908 ND2 ASN A 62 -15.477 3.627 6.675 1.00 0.00 N ATOM 0 H ASN A 62 -12.044 5.138 4.375 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.216 3.134 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.088 4.996 4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.865 3.427 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.093 3.845 7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.015 2.719 6.627 1.00 0.00 H new ATOM 915 N ALA A 63 -11.863 2.420 3.271 1.00 0.00 N ATOM 916 CA ALA A 63 -11.461 1.331 2.391 1.00 0.00 C ATOM 917 C ALA A 63 -10.213 0.630 2.918 1.00 0.00 C ATOM 918 O ALA A 63 -10.189 -0.593 3.058 1.00 0.00 O ATOM 919 CB ALA A 63 -11.220 1.853 0.982 1.00 0.00 C ATOM 0 H ALA A 63 -11.422 3.316 3.062 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.271 0.602 2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.920 1.029 0.335 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.137 2.301 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.430 2.604 1.002 1.00 0.00 H new ATOM 925 N ILE A 64 -9.178 1.413 3.207 1.00 0.00 N ATOM 926 CA ILE A 64 -7.928 0.867 3.718 1.00 0.00 C ATOM 927 C ILE A 64 -7.920 0.846 5.243 1.00 0.00 C ATOM 928 O ILE A 64 -8.810 1.402 5.887 1.00 0.00 O ATOM 929 CB ILE A 64 -6.715 1.676 3.221 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.485 0.773 3.105 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.436 2.842 4.157 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.475 1.256 2.088 1.00 0.00 C ATOM 0 H ILE A 64 -9.181 2.427 3.096 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.853 -0.153 3.342 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.944 2.076 2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.002 0.703 4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.807 -0.233 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.576 3.404 3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.307 3.496 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.224 2.463 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.630 0.568 2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.942 1.299 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.124 2.250 2.367 1.00 0.00 H new ATOM 944 N HIS A 65 -6.907 0.203 5.816 1.00 0.00 N ATOM 945 CA HIS A 65 -6.782 0.112 7.266 1.00 0.00 C ATOM 946 C HIS A 65 -5.679 -0.869 7.655 1.00 0.00 C ATOM 947 O HIS A 65 -5.285 -1.738 6.878 1.00 0.00 O ATOM 948 CB HIS A 65 -8.109 -0.322 7.888 1.00 0.00 C ATOM 949 CG HIS A 65 -8.873 0.804 8.515 1.00 0.00 C ATOM 950 ND1 HIS A 65 -10.027 0.615 9.245 1.00 0.00 N ATOM 951 CD2 HIS A 65 -8.640 2.137 8.520 1.00 0.00 C ATOM 952 CE1 HIS A 65 -10.473 1.784 9.670 1.00 0.00 C ATOM 953 NE2 HIS A 65 -9.649 2.724 9.244 1.00 0.00 N ATOM 0 H HIS A 65 -6.161 -0.262 5.298 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.518 1.099 7.646 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.727 -0.786 7.119 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.915 -1.084 8.643 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.814 2.645 8.043 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.360 1.944 10.265 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -9.746 3.723 9.423 1.00 0.00 H new ATOM 962 N PRO A 66 -5.169 -0.727 8.888 1.00 0.00 N ATOM 963 CA PRO A 66 -4.105 -1.591 9.408 1.00 0.00 C ATOM 964 C PRO A 66 -4.588 -3.015 9.665 1.00 0.00 C ATOM 965 O PRO A 66 -5.443 -3.246 10.519 1.00 0.00 O ATOM 966 CB PRO A 66 -3.710 -0.915 10.723 1.00 0.00 C ATOM 967 CG PRO A 66 -4.924 -0.159 11.140 1.00 0.00 C ATOM 968 CD PRO A 66 -5.591 0.287 9.868 1.00 0.00 C ATOM 0 HA PRO A 66 -3.281 -1.693 8.701 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.423 -1.650 11.475 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.857 -0.250 10.586 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.591 -0.787 11.731 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.657 0.696 11.761 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.676 0.318 9.972 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.270 1.287 9.575 1.00 0.00 H new ATOM 976 N GLY A 67 -4.035 -3.967 8.920 1.00 0.00 N ATOM 977 CA GLY A 67 -4.422 -5.356 9.083 1.00 0.00 C ATOM 978 C GLY A 67 -5.004 -5.948 7.815 1.00 0.00 C ATOM 979 O GLY A 67 -5.447 -7.097 7.805 1.00 0.00 O ATOM 0 H GLY A 67 -3.326 -3.801 8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.553 -5.939 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.155 -5.434 9.886 1.00 0.00 H new ATOM 983 N ASP A 68 -5.003 -5.164 6.743 1.00 0.00 N ATOM 984 CA ASP A 68 -5.536 -5.617 5.463 1.00 0.00 C ATOM 985 C ASP A 68 -4.408 -6.007 4.513 1.00 0.00 C ATOM 986 O ASP A 68 -3.230 -5.874 4.845 1.00 0.00 O ATOM 987 CB ASP A 68 -6.398 -4.525 4.829 1.00 0.00 C ATOM 988 CG ASP A 68 -7.786 -4.457 5.437 1.00 0.00 C ATOM 989 OD1 ASP A 68 -8.674 -5.202 4.971 1.00 0.00 O ATOM 990 OD2 ASP A 68 -7.984 -3.660 6.377 1.00 0.00 O ATOM 0 H ASP A 68 -4.639 -4.211 6.735 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.154 -6.496 5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.904 -3.561 4.949 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.482 -4.709 3.758 1.00 0.00 H new ATOM 995 N ARG A 69 -4.777 -6.490 3.331 1.00 0.00 N ATOM 996 CA ARG A 69 -3.796 -6.902 2.334 1.00 0.00 C ATOM 997 C ARG A 69 -4.144 -6.333 0.962 1.00 0.00 C ATOM 998 O ARG A 69 -5.246 -6.543 0.453 1.00 0.00 O ATOM 999 CB ARG A 69 -3.722 -8.428 2.261 1.00 0.00 C ATOM 1000 CG ARG A 69 -4.437 -9.128 3.405 1.00 0.00 C ATOM 1001 CD ARG A 69 -5.947 -9.045 3.252 1.00 0.00 C ATOM 1002 NE ARG A 69 -6.567 -10.367 3.214 1.00 0.00 N ATOM 1003 CZ ARG A 69 -7.849 -10.570 2.929 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -8.642 -9.542 2.658 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -8.339 -11.802 2.914 1.00 0.00 N ATOM 0 H ARG A 69 -5.748 -6.606 3.040 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.824 -6.512 2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.154 -8.759 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.675 -8.733 2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.131 -10.173 3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.141 -8.676 4.352 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.364 -8.473 4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.189 -8.504 2.337 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.984 -11.179 3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.268 -8.593 2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.626 -9.700 2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.732 -12.595 3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.323 -11.957 2.695 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.199 -5.611 0.369 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.406 -5.012 -0.944 1.00 0.00 C ATOM 1021 C ILE A 70 -3.335 -6.065 -2.045 1.00 0.00 C ATOM 1022 O ILE A 70 -2.374 -6.831 -2.126 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.366 -3.913 -1.231 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.475 -2.794 -0.194 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -2.554 -3.361 -2.637 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -1.157 -2.112 0.100 1.00 0.00 C ATOM 0 H ILE A 70 -2.282 -5.427 0.777 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.400 -4.566 -0.935 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.369 -4.349 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.189 -2.050 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.876 -3.206 0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.812 -2.585 -2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.431 -4.165 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.554 -2.937 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.310 -1.330 0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.446 -2.844 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.764 -1.670 -0.816 1.00 0.00 H new ATOM 1038 N LEU A 71 -4.357 -6.096 -2.893 1.00 0.00 N ATOM 1039 CA LEU A 71 -4.411 -7.053 -3.992 1.00 0.00 C ATOM 1040 C LEU A 71 -3.616 -6.548 -5.192 1.00 0.00 C ATOM 1041 O LEU A 71 -3.014 -7.334 -5.924 1.00 0.00 O ATOM 1042 CB LEU A 71 -5.862 -7.311 -4.400 1.00 0.00 C ATOM 1043 CG LEU A 71 -6.807 -7.746 -3.279 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -6.038 -8.470 -2.184 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -7.547 -6.545 -2.709 1.00 0.00 C ATOM 0 H LEU A 71 -5.160 -5.469 -2.840 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.965 -7.987 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.259 -6.401 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.870 -8.079 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.541 -8.435 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.726 -8.772 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.555 -9.353 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.281 -7.804 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.215 -6.874 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.828 -5.831 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.130 -6.069 -3.498 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.617 -5.233 -5.386 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.894 -4.625 -6.497 1.00 0.00 C ATOM 1059 C GLU A 72 -2.647 -3.142 -6.238 1.00 0.00 C ATOM 1060 O GLU A 72 -3.507 -2.443 -5.701 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.675 -4.803 -7.801 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.388 -6.117 -8.508 1.00 0.00 C ATOM 1063 CD GLU A 72 -4.593 -7.037 -8.541 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -5.704 -6.551 -8.841 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -4.425 -8.244 -8.266 1.00 0.00 O ATOM 0 H GLU A 72 -4.110 -4.569 -4.789 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.930 -5.126 -6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.742 -4.741 -7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.436 -3.979 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.063 -5.913 -9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.563 -6.623 -8.006 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.466 -2.669 -6.623 1.00 0.00 N ATOM 1073 CA ILE A 73 -1.105 -1.270 -6.433 1.00 0.00 C ATOM 1074 C ILE A 73 -1.069 -0.526 -7.763 1.00 0.00 C ATOM 1075 O ILE A 73 -0.258 -0.833 -8.636 1.00 0.00 O ATOM 1076 CB ILE A 73 0.264 -1.130 -5.742 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.125 -1.356 -4.235 1.00 0.00 C ATOM 1078 CG2 ILE A 73 0.863 0.240 -6.024 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.377 -1.019 -3.456 1.00 0.00 C ATOM 0 H ILE A 73 -0.743 -3.234 -7.068 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.871 -0.831 -5.794 1.00 0.00 H new ATOM 0 HB ILE A 73 0.936 -1.888 -6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.701 -0.751 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.136 -2.399 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.830 0.323 -5.529 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.994 0.366 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.195 1.014 -5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.206 -1.203 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.201 -1.642 -3.804 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.627 0.031 -3.606 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.953 0.456 -7.910 1.00 0.00 N ATOM 1092 CA ASN A 74 -2.022 1.246 -9.134 1.00 0.00 C ATOM 1093 C ASN A 74 -2.416 0.374 -10.323 1.00 0.00 C ATOM 1094 O ASN A 74 -2.089 0.682 -11.468 1.00 0.00 O ATOM 1095 CB ASN A 74 -0.676 1.921 -9.407 1.00 0.00 C ATOM 1096 CG ASN A 74 -0.269 2.868 -8.295 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -0.779 2.787 -7.177 1.00 0.00 O ATOM 1098 ND2 ASN A 74 0.654 3.774 -8.598 1.00 0.00 N ATOM 0 H ASN A 74 -2.631 0.723 -7.197 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.785 2.013 -8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.092 1.157 -9.530 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.732 2.471 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.967 4.439 -7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.049 3.805 -9.538 1.00 0.00 H new ATOM 1105 N GLY A 75 -3.121 -0.718 -10.041 1.00 0.00 N ATOM 1106 CA GLY A 75 -3.548 -1.618 -11.097 1.00 0.00 C ATOM 1107 C GLY A 75 -2.432 -2.526 -11.572 1.00 0.00 C ATOM 1108 O GLY A 75 -2.222 -2.688 -12.774 1.00 0.00 O ATOM 0 H GLY A 75 -3.404 -0.995 -9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.379 -2.226 -10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.920 -1.034 -11.939 1.00 0.00 H new ATOM 1112 N THR A 76 -1.711 -3.120 -10.626 1.00 0.00 N ATOM 1113 CA THR A 76 -0.608 -4.015 -10.954 1.00 0.00 C ATOM 1114 C THR A 76 -0.467 -5.118 -9.911 1.00 0.00 C ATOM 1115 O THR A 76 -0.731 -4.922 -8.725 1.00 0.00 O ATOM 1116 CB THR A 76 0.724 -3.249 -11.058 1.00 0.00 C ATOM 1117 OG1 THR A 76 0.507 -1.854 -10.818 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.352 -3.441 -12.430 1.00 0.00 C ATOM 0 H THR A 76 -1.871 -2.997 -9.626 1.00 0.00 H new ATOM 0 HA THR A 76 -0.839 -4.461 -11.921 1.00 0.00 H new ATOM 0 HB THR A 76 1.406 -3.645 -10.305 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.575 -1.673 -9.857 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.292 -2.891 -12.480 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.543 -4.501 -12.598 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.672 -3.069 -13.197 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.038 -6.307 -10.361 1.00 0.00 N ATOM 1127 CA PRO A 77 0.150 -7.465 -9.482 1.00 0.00 C ATOM 1128 C PRO A 77 1.331 -7.288 -8.534 1.00 0.00 C ATOM 1129 O PRO A 77 2.487 -7.294 -8.959 1.00 0.00 O ATOM 1130 CB PRO A 77 0.416 -8.612 -10.460 1.00 0.00 C ATOM 1131 CG PRO A 77 0.969 -7.953 -11.676 1.00 0.00 C ATOM 1132 CD PRO A 77 0.296 -6.612 -11.762 1.00 0.00 C ATOM 0 HA PRO A 77 -0.711 -7.630 -8.834 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.122 -9.331 -10.044 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.499 -9.158 -10.688 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.051 -7.843 -11.602 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.769 -8.548 -12.567 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.956 -5.858 -12.191 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.595 -6.649 -12.389 1.00 0.00 H new ATOM 1140 N VAL A 78 1.034 -7.131 -7.248 1.00 0.00 N ATOM 1141 CA VAL A 78 2.072 -6.953 -6.240 1.00 0.00 C ATOM 1142 C VAL A 78 2.766 -8.274 -5.928 1.00 0.00 C ATOM 1143 O VAL A 78 3.761 -8.308 -5.204 1.00 0.00 O ATOM 1144 CB VAL A 78 1.494 -6.370 -4.937 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.664 -5.129 -5.229 1.00 0.00 C ATOM 1146 CG2 VAL A 78 0.666 -7.415 -4.206 1.00 0.00 C ATOM 0 H VAL A 78 0.083 -7.123 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 78 2.798 -6.252 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 78 2.323 -6.080 -4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.264 -4.731 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.291 -4.376 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.159 -5.390 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.266 -6.985 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.157 -7.739 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.294 -8.271 -3.962 1.00 0.00 H new ATOM 1156 N ARG A 79 2.235 -9.361 -6.480 1.00 0.00 N ATOM 1157 CA ARG A 79 2.803 -10.685 -6.260 1.00 0.00 C ATOM 1158 C ARG A 79 3.906 -10.978 -7.273 1.00 0.00 C ATOM 1159 O ARG A 79 4.554 -12.024 -7.217 1.00 0.00 O ATOM 1160 CB ARG A 79 1.712 -11.753 -6.354 1.00 0.00 C ATOM 1161 CG ARG A 79 0.720 -11.513 -7.479 1.00 0.00 C ATOM 1162 CD ARG A 79 -0.527 -10.800 -6.980 1.00 0.00 C ATOM 1163 NE ARG A 79 -1.484 -11.727 -6.380 1.00 0.00 N ATOM 1164 CZ ARG A 79 -2.539 -11.338 -5.673 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -2.772 -10.047 -5.479 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -3.364 -12.241 -5.159 1.00 0.00 N ATOM 0 H ARG A 79 1.412 -9.350 -7.083 1.00 0.00 H new ATOM 0 HA ARG A 79 3.237 -10.706 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.180 -12.727 -6.496 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.172 -11.793 -5.408 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.192 -10.918 -8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.440 -12.466 -7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.244 -10.045 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.001 -10.276 -7.810 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.334 -12.727 -6.511 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.140 -9.350 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.583 -9.751 -4.936 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.188 -13.235 -5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.174 -11.941 -4.616 1.00 0.00 H new ATOM 1180 N THR A 80 4.114 -10.048 -8.200 1.00 0.00 N ATOM 1181 CA THR A 80 5.136 -10.207 -9.226 1.00 0.00 C ATOM 1182 C THR A 80 6.104 -9.029 -9.225 1.00 0.00 C ATOM 1183 O THR A 80 7.287 -9.185 -9.530 1.00 0.00 O ATOM 1184 CB THR A 80 4.510 -10.341 -10.627 1.00 0.00 C ATOM 1185 OG1 THR A 80 4.181 -9.046 -11.142 1.00 0.00 O ATOM 1186 CG2 THR A 80 3.260 -11.206 -10.580 1.00 0.00 C ATOM 0 H THR A 80 3.588 -9.176 -8.261 1.00 0.00 H new ATOM 0 HA THR A 80 5.680 -11.122 -8.991 1.00 0.00 H new ATOM 0 HB THR A 80 5.238 -10.818 -11.283 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.716 -8.528 -10.452 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.835 -11.286 -11.581 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.519 -12.200 -10.215 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.529 -10.753 -9.911 1.00 0.00 H new ATOM 1194 N LEU A 81 5.595 -7.852 -8.880 1.00 0.00 N ATOM 1195 CA LEU A 81 6.416 -6.646 -8.838 1.00 0.00 C ATOM 1196 C LEU A 81 7.658 -6.863 -7.980 1.00 0.00 C ATOM 1197 O LEU A 81 7.604 -7.536 -6.951 1.00 0.00 O ATOM 1198 CB LEU A 81 5.603 -5.471 -8.292 1.00 0.00 C ATOM 1199 CG LEU A 81 4.616 -4.827 -9.266 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.640 -3.929 -8.522 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.360 -4.039 -10.335 1.00 0.00 C ATOM 0 H LEU A 81 4.618 -7.706 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 81 6.735 -6.417 -9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.049 -5.814 -7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.297 -4.704 -7.949 1.00 0.00 H new ATOM 0 HG LEU A 81 4.048 -5.619 -9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.946 -3.480 -9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.084 -4.520 -7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.190 -3.143 -8.005 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.642 -3.587 -11.020 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.953 -3.256 -9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.018 -4.709 -10.889 1.00 0.00 H new ATOM 1213 N ARG A 82 8.775 -6.285 -8.409 1.00 0.00 N ATOM 1214 CA ARG A 82 10.031 -6.414 -7.680 1.00 0.00 C ATOM 1215 C ARG A 82 9.889 -5.885 -6.256 1.00 0.00 C ATOM 1216 O ARG A 82 9.155 -4.928 -6.008 1.00 0.00 O ATOM 1217 CB ARG A 82 11.147 -5.661 -8.406 1.00 0.00 C ATOM 1218 CG ARG A 82 11.520 -6.271 -9.748 1.00 0.00 C ATOM 1219 CD ARG A 82 12.988 -6.047 -10.072 1.00 0.00 C ATOM 1220 NE ARG A 82 13.442 -6.897 -11.170 1.00 0.00 N ATOM 1221 CZ ARG A 82 13.128 -6.682 -12.443 1.00 0.00 C ATOM 1222 NH1 ARG A 82 12.364 -5.651 -12.777 1.00 0.00 N ATOM 1223 NH2 ARG A 82 13.579 -7.500 -13.386 1.00 0.00 N ATOM 0 H ARG A 82 8.836 -5.723 -9.258 1.00 0.00 H new ATOM 0 HA ARG A 82 10.288 -7.472 -7.633 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.836 -4.628 -8.560 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.031 -5.636 -7.769 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.308 -7.340 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.902 -5.833 -10.532 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.146 -5.001 -10.334 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.590 -6.248 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 82 14.032 -7.699 -10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.015 -5.020 -12.056 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.125 -5.489 -13.755 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.167 -8.294 -13.134 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.338 -7.334 -14.363 1.00 0.00 H new ATOM 1237 N VAL A 83 10.596 -6.515 -5.322 1.00 0.00 N ATOM 1238 CA VAL A 83 10.550 -6.107 -3.923 1.00 0.00 C ATOM 1239 C VAL A 83 10.743 -4.601 -3.783 1.00 0.00 C ATOM 1240 O VAL A 83 10.157 -3.970 -2.904 1.00 0.00 O ATOM 1241 CB VAL A 83 11.625 -6.832 -3.092 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.511 -6.450 -1.623 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.510 -8.338 -3.270 1.00 0.00 C ATOM 0 H VAL A 83 11.207 -7.310 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 83 9.565 -6.380 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 83 12.607 -6.521 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.278 -6.972 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.647 -5.374 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.526 -6.731 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.277 -8.834 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.525 -8.669 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.645 -8.591 -4.321 1.00 0.00 H new ATOM 1253 N GLU A 84 11.569 -4.032 -4.655 1.00 0.00 N ATOM 1254 CA GLU A 84 11.840 -2.600 -4.628 1.00 0.00 C ATOM 1255 C GLU A 84 10.708 -1.819 -5.290 1.00 0.00 C ATOM 1256 O GLU A 84 10.471 -0.656 -4.966 1.00 0.00 O ATOM 1257 CB GLU A 84 13.164 -2.295 -5.331 1.00 0.00 C ATOM 1258 CG GLU A 84 13.234 -2.827 -6.753 1.00 0.00 C ATOM 1259 CD GLU A 84 14.474 -3.664 -7.002 1.00 0.00 C ATOM 1260 OE1 GLU A 84 14.701 -4.628 -6.243 1.00 0.00 O ATOM 1261 OE2 GLU A 84 15.216 -3.354 -7.958 1.00 0.00 O ATOM 0 H GLU A 84 12.062 -4.541 -5.389 1.00 0.00 H new ATOM 0 HA GLU A 84 11.911 -2.290 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.317 -1.216 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.981 -2.724 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.348 -3.428 -6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.219 -1.990 -7.451 1.00 0.00 H new ATOM 1268 N GLU A 85 10.013 -2.469 -6.218 1.00 0.00 N ATOM 1269 CA GLU A 85 8.907 -1.835 -6.927 1.00 0.00 C ATOM 1270 C GLU A 85 7.723 -1.605 -5.992 1.00 0.00 C ATOM 1271 O GLU A 85 7.232 -0.484 -5.859 1.00 0.00 O ATOM 1272 CB GLU A 85 8.473 -2.696 -8.115 1.00 0.00 C ATOM 1273 CG GLU A 85 8.845 -2.103 -9.464 1.00 0.00 C ATOM 1274 CD GLU A 85 10.328 -2.212 -9.761 1.00 0.00 C ATOM 1275 OE1 GLU A 85 11.091 -1.338 -9.299 1.00 0.00 O ATOM 1276 OE2 GLU A 85 10.725 -3.171 -10.455 1.00 0.00 O ATOM 0 H GLU A 85 10.196 -3.433 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 85 9.251 -0.868 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.927 -3.682 -8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.393 -2.838 -8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.283 -2.612 -10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.549 -1.054 -9.489 1.00 0.00 H new ATOM 1283 N VAL A 86 7.269 -2.675 -5.348 1.00 0.00 N ATOM 1284 CA VAL A 86 6.143 -2.590 -4.425 1.00 0.00 C ATOM 1285 C VAL A 86 6.388 -1.534 -3.353 1.00 0.00 C ATOM 1286 O VAL A 86 5.447 -0.960 -2.807 1.00 0.00 O ATOM 1287 CB VAL A 86 5.873 -3.945 -3.743 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.513 -3.939 -3.062 1.00 0.00 C ATOM 1289 CG2 VAL A 86 5.967 -5.078 -4.754 1.00 0.00 C ATOM 0 H VAL A 86 7.663 -3.610 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 86 5.271 -2.308 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 86 6.634 -4.106 -2.979 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.340 -4.904 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.487 -3.153 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.736 -3.756 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.774 -6.028 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.229 -4.925 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.966 -5.094 -5.190 1.00 0.00 H new ATOM 1299 N GLU A 87 7.660 -1.283 -3.058 1.00 0.00 N ATOM 1300 CA GLU A 87 8.028 -0.296 -2.050 1.00 0.00 C ATOM 1301 C GLU A 87 8.161 1.092 -2.672 1.00 0.00 C ATOM 1302 O GLU A 87 7.755 2.091 -2.078 1.00 0.00 O ATOM 1303 CB GLU A 87 9.342 -0.691 -1.373 1.00 0.00 C ATOM 1304 CG GLU A 87 9.225 -1.923 -0.491 1.00 0.00 C ATOM 1305 CD GLU A 87 9.023 -1.576 0.971 1.00 0.00 C ATOM 1306 OE1 GLU A 87 9.476 -0.492 1.393 1.00 0.00 O ATOM 1307 OE2 GLU A 87 8.411 -2.390 1.694 1.00 0.00 O ATOM 0 H GLU A 87 8.451 -1.749 -3.502 1.00 0.00 H new ATOM 0 HA GLU A 87 7.237 -0.266 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.096 -0.873 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.696 0.145 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.390 -2.533 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.126 -2.527 -0.596 1.00 0.00 H new ATOM 1314 N ASP A 88 8.733 1.144 -3.869 1.00 0.00 N ATOM 1315 CA ASP A 88 8.920 2.408 -4.573 1.00 0.00 C ATOM 1316 C ASP A 88 7.578 3.073 -4.862 1.00 0.00 C ATOM 1317 O ASP A 88 7.493 4.294 -4.984 1.00 0.00 O ATOM 1318 CB ASP A 88 9.683 2.182 -5.879 1.00 0.00 C ATOM 1319 CG ASP A 88 11.167 2.456 -5.738 1.00 0.00 C ATOM 1320 OD1 ASP A 88 11.526 3.475 -5.110 1.00 0.00 O ATOM 1321 OD2 ASP A 88 11.971 1.652 -6.254 1.00 0.00 O ATOM 0 H ASP A 88 9.076 0.326 -4.373 1.00 0.00 H new ATOM 0 HA ASP A 88 9.502 3.069 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.536 1.153 -6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.270 2.827 -6.654 1.00 0.00 H new ATOM 1326 N ALA A 89 6.532 2.260 -4.971 1.00 0.00 N ATOM 1327 CA ALA A 89 5.194 2.769 -5.244 1.00 0.00 C ATOM 1328 C ALA A 89 4.599 3.440 -4.011 1.00 0.00 C ATOM 1329 O ALA A 89 3.717 4.292 -4.121 1.00 0.00 O ATOM 1330 CB ALA A 89 4.289 1.644 -5.724 1.00 0.00 C ATOM 0 H ALA A 89 6.586 1.246 -4.874 1.00 0.00 H new ATOM 0 HA ALA A 89 5.271 3.519 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.293 2.039 -5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.698 1.212 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.227 0.874 -4.955 1.00 0.00 H new ATOM 1336 N ILE A 90 5.087 3.050 -2.838 1.00 0.00 N ATOM 1337 CA ILE A 90 4.603 3.615 -1.584 1.00 0.00 C ATOM 1338 C ILE A 90 5.388 4.866 -1.205 1.00 0.00 C ATOM 1339 O ILE A 90 4.809 5.920 -0.941 1.00 0.00 O ATOM 1340 CB ILE A 90 4.697 2.595 -0.434 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.441 1.180 -0.956 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.709 2.946 0.668 1.00 0.00 C ATOM 1343 CD1 ILE A 90 3.185 1.062 -1.791 1.00 0.00 C ATOM 0 H ILE A 90 5.817 2.346 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 90 3.557 3.879 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 90 5.704 2.632 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.296 0.861 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.371 0.496 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.788 2.216 1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.934 3.940 1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.696 2.935 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.067 0.032 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.321 1.349 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.261 1.720 -2.657 1.00 0.00 H new ATOM 1355 N LYS A 91 6.711 4.743 -1.181 1.00 0.00 N ATOM 1356 CA LYS A 91 7.578 5.863 -0.838 1.00 0.00 C ATOM 1357 C LYS A 91 7.398 7.013 -1.824 1.00 0.00 C ATOM 1358 O LYS A 91 7.453 8.182 -1.444 1.00 0.00 O ATOM 1359 CB LYS A 91 9.042 5.416 -0.821 1.00 0.00 C ATOM 1360 CG LYS A 91 9.443 4.604 -2.041 1.00 0.00 C ATOM 1361 CD LYS A 91 10.856 4.937 -2.491 1.00 0.00 C ATOM 1362 CE LYS A 91 11.851 3.883 -2.030 1.00 0.00 C ATOM 1363 NZ LYS A 91 13.177 4.047 -2.687 1.00 0.00 N ATOM 0 H LYS A 91 7.206 3.877 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 91 7.300 6.213 0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.681 6.296 -0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.222 4.823 0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.374 3.541 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.745 4.799 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.884 5.015 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.145 5.910 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.971 3.946 -0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.457 2.891 -2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.841 3.342 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.075 3.912 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.542 5.002 -2.499 1.00 0.00 H new ATOM 1377 N GLN A 92 7.182 6.672 -3.091 1.00 0.00 N ATOM 1378 CA GLN A 92 6.993 7.676 -4.130 1.00 0.00 C ATOM 1379 C GLN A 92 5.655 8.389 -3.961 1.00 0.00 C ATOM 1380 O GLN A 92 4.608 7.751 -3.852 1.00 0.00 O ATOM 1381 CB GLN A 92 7.068 7.029 -5.514 1.00 0.00 C ATOM 1382 CG GLN A 92 5.867 6.158 -5.845 1.00 0.00 C ATOM 1383 CD GLN A 92 4.767 6.925 -6.552 1.00 0.00 C ATOM 1384 OE1 GLN A 92 3.643 7.019 -6.058 1.00 0.00 O ATOM 1385 NE2 GLN A 92 5.086 7.479 -7.717 1.00 0.00 N ATOM 0 H GLN A 92 7.134 5.708 -3.422 1.00 0.00 H new ATOM 0 HA GLN A 92 7.791 8.413 -4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.157 7.812 -6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.973 6.424 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.188 5.327 -6.474 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.471 5.727 -4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.030 7.376 -8.089 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.387 8.007 -8.239 1.00 0.00 H new ATOM 1394 N THR A 93 5.697 9.718 -3.940 1.00 0.00 N ATOM 1395 CA THR A 93 4.489 10.518 -3.783 1.00 0.00 C ATOM 1396 C THR A 93 4.505 11.727 -4.712 1.00 0.00 C ATOM 1397 O THR A 93 4.315 12.861 -4.273 1.00 0.00 O ATOM 1398 CB THR A 93 4.322 11.003 -2.331 1.00 0.00 C ATOM 1399 OG1 THR A 93 5.320 11.983 -2.023 1.00 0.00 O ATOM 1400 CG2 THR A 93 4.428 9.840 -1.356 1.00 0.00 C ATOM 0 H THR A 93 6.555 10.263 -4.030 1.00 0.00 H new ATOM 0 HA THR A 93 3.648 9.875 -4.043 1.00 0.00 H new ATOM 0 HB THR A 93 3.333 11.450 -2.233 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.217 12.754 -2.619 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.307 10.207 -0.337 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.648 9.110 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.405 9.368 -1.458 1.00 0.00 H new ATOM 1408 N SER A 94 4.733 11.477 -5.997 1.00 0.00 N ATOM 1409 CA SER A 94 4.777 12.546 -6.988 1.00 0.00 C ATOM 1410 C SER A 94 3.483 12.593 -7.794 1.00 0.00 C ATOM 1411 O SER A 94 3.042 13.661 -8.217 1.00 0.00 O ATOM 1412 CB SER A 94 5.970 12.351 -7.927 1.00 0.00 C ATOM 1413 OG SER A 94 7.013 13.260 -7.622 1.00 0.00 O ATOM 0 H SER A 94 4.890 10.543 -6.377 1.00 0.00 H new ATOM 0 HA SER A 94 4.890 13.493 -6.460 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.339 11.329 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.651 12.492 -8.960 1.00 0.00 H new ATOM 0 HG SER A 94 7.764 13.114 -8.235 1.00 0.00 H new ATOM 1419 N GLN A 95 2.880 11.427 -8.003 1.00 0.00 N ATOM 1420 CA GLN A 95 1.637 11.334 -8.758 1.00 0.00 C ATOM 1421 C GLN A 95 0.561 10.616 -7.951 1.00 0.00 C ATOM 1422 O GLN A 95 0.792 10.209 -6.812 1.00 0.00 O ATOM 1423 CB GLN A 95 1.873 10.603 -10.081 1.00 0.00 C ATOM 1424 CG GLN A 95 2.915 11.267 -10.966 1.00 0.00 C ATOM 1425 CD GLN A 95 3.539 10.304 -11.957 1.00 0.00 C ATOM 1426 OE1 GLN A 95 4.440 9.539 -11.612 1.00 0.00 O ATOM 1427 NE2 GLN A 95 3.062 10.337 -13.196 1.00 0.00 N ATOM 0 H GLN A 95 3.233 10.534 -7.660 1.00 0.00 H new ATOM 0 HA GLN A 95 1.292 12.347 -8.967 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.186 9.580 -9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.931 10.542 -10.626 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.453 12.092 -11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.698 11.696 -10.340 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.314 10.987 -13.438 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.443 9.712 -13.906 1.00 0.00 H new ATOM 1436 N THR A 96 -0.617 10.462 -8.548 1.00 0.00 N ATOM 1437 CA THR A 96 -1.729 9.794 -7.885 1.00 0.00 C ATOM 1438 C THR A 96 -1.386 8.344 -7.562 1.00 0.00 C ATOM 1439 O THR A 96 -1.018 7.571 -8.447 1.00 0.00 O ATOM 1440 CB THR A 96 -3.002 9.828 -8.751 1.00 0.00 C ATOM 1441 OG1 THR A 96 -3.088 11.076 -9.448 1.00 0.00 O ATOM 1442 CG2 THR A 96 -4.245 9.632 -7.895 1.00 0.00 C ATOM 0 H THR A 96 -0.825 10.792 -9.491 1.00 0.00 H new ATOM 0 HA THR A 96 -1.915 10.336 -6.958 1.00 0.00 H new ATOM 0 HB THR A 96 -2.945 9.013 -9.473 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.899 11.089 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.131 9.660 -8.529 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.190 8.668 -7.390 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.305 10.428 -7.153 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.508 7.982 -6.290 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.212 6.623 -5.849 1.00 0.00 C ATOM 1452 C LEU A 97 -2.494 5.863 -5.527 1.00 0.00 C ATOM 1453 O LEU A 97 -3.138 6.117 -4.509 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.300 6.651 -4.622 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.357 5.422 -3.714 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.307 4.146 -4.540 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.781 5.451 -2.704 1.00 0.00 C ATOM 0 H LEU A 97 -1.810 8.610 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.701 6.107 -6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.728 6.780 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.552 7.529 -4.027 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.300 5.441 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.349 3.282 -3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.156 4.121 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.620 4.120 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.724 4.569 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.735 5.457 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.700 6.348 -2.090 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.858 4.928 -6.399 1.00 0.00 N ATOM 1470 CA GLN A 98 -4.062 4.130 -6.205 1.00 0.00 C ATOM 1471 C GLN A 98 -3.735 2.807 -5.521 1.00 0.00 C ATOM 1472 O GLN A 98 -2.624 2.289 -5.647 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.747 3.868 -7.548 1.00 0.00 C ATOM 1474 CG GLN A 98 -5.999 4.702 -7.765 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.678 4.402 -9.087 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -7.450 3.323 -9.125 1.00 0.00 O flip ATOM 1477 NE2 GLN A 98 -6.510 5.133 -10.064 1.00 0.00 N flip ATOM 0 H GLN A 98 -2.336 4.705 -7.246 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.740 4.692 -5.562 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.041 4.072 -8.353 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.008 2.812 -7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.700 4.517 -6.951 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.738 5.760 -7.727 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.908 5.953 -9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.973 4.919 -10.947 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.708 2.265 -4.797 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.523 1.001 -4.092 1.00 0.00 C ATOM 1488 C LEU A 99 -5.760 0.118 -4.224 1.00 0.00 C ATOM 1489 O LEU A 99 -6.850 0.600 -4.535 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.222 1.258 -2.615 1.00 0.00 C ATOM 1491 CG LEU A 99 -2.944 2.043 -2.317 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -3.199 3.094 -1.248 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.828 1.102 -1.886 1.00 0.00 C ATOM 0 H LEU A 99 -5.632 2.680 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.678 0.481 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.065 1.797 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.161 0.297 -2.105 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.632 2.551 -3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.278 3.642 -1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.966 3.787 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.536 2.608 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.926 1.678 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.131 0.566 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.626 0.387 -2.684 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.584 -1.177 -3.985 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.686 -2.128 -4.075 1.00 0.00 C ATOM 1507 C LEU A 100 -6.801 -2.951 -2.796 1.00 0.00 C ATOM 1508 O LEU A 100 -5.847 -3.610 -2.382 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.489 -3.056 -5.275 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.739 -3.360 -6.101 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -7.580 -2.841 -7.522 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -8.024 -4.855 -6.106 1.00 0.00 C ATOM 0 H LEU A 100 -4.689 -1.592 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.609 -1.564 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.742 -2.612 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.077 -3.999 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.586 -2.850 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.480 -3.067 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.425 -1.762 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.721 -3.322 -7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.917 -5.053 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.176 -5.386 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.183 -5.198 -5.084 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.975 -2.909 -2.175 1.00 0.00 N ATOM 1525 CA ILE A 101 -8.216 -3.654 -0.945 1.00 0.00 C ATOM 1526 C ILE A 101 -9.205 -4.791 -1.175 1.00 0.00 C ATOM 1527 O ILE A 101 -9.990 -4.761 -2.123 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.752 -2.738 0.171 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -8.128 -1.346 0.063 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -8.471 -3.347 1.537 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -6.620 -1.348 0.189 1.00 0.00 C ATOM 0 H ILE A 101 -8.774 -2.367 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.257 -4.069 -0.634 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.831 -2.641 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.404 -0.906 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.549 -0.707 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.856 -2.688 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.960 -4.319 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.396 -3.471 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.246 -0.328 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.336 -1.758 1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.189 -1.960 -0.603 1.00 0.00 H new ATOM 1543 N GLU A 102 -9.163 -5.791 -0.300 1.00 0.00 N ATOM 1544 CA GLU A 102 -10.058 -6.937 -0.408 1.00 0.00 C ATOM 1545 C GLU A 102 -11.105 -6.917 0.702 1.00 0.00 C ATOM 1546 O GLU A 102 -10.821 -6.517 1.831 1.00 0.00 O ATOM 1547 CB GLU A 102 -9.260 -8.242 -0.348 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.539 -9.180 -1.510 1.00 0.00 C ATOM 1549 CD GLU A 102 -8.808 -10.501 -1.382 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -8.201 -10.742 -0.317 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -8.841 -11.295 -2.346 1.00 0.00 O ATOM 0 H GLU A 102 -8.520 -5.831 0.490 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.571 -6.876 -1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.196 -8.007 -0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.489 -8.756 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.611 -9.367 -1.572 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.246 -8.696 -2.441 1.00 0.00 H new ATOM 1558 N HIS A 103 -12.318 -7.350 0.371 1.00 0.00 N ATOM 1559 CA HIS A 103 -13.408 -7.381 1.339 1.00 0.00 C ATOM 1560 C HIS A 103 -13.901 -8.809 1.556 1.00 0.00 C ATOM 1561 O HIS A 103 -14.372 -9.461 0.624 1.00 0.00 O ATOM 1562 CB HIS A 103 -14.563 -6.497 0.868 1.00 0.00 C ATOM 1563 CG HIS A 103 -15.129 -5.625 1.946 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -15.414 -6.086 3.214 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -15.462 -4.313 1.941 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -15.899 -5.096 3.942 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -15.938 -4.009 3.193 1.00 0.00 N ATOM 0 H HIS A 103 -12.570 -7.684 -0.559 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.030 -6.997 2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -14.217 -5.868 0.048 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -15.356 -7.131 0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -15.370 -3.632 1.108 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -16.211 -5.164 4.974 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -16.268 -3.092 3.495 1.00 0.00 H new