USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 2 THR OG1 : rot 11:sc= 0.842 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -12.6! (180deg=-13!) USER MOD Single : A 5 GLN :FLIP amide:sc= -3.38! C(o=-7!,f=-3.4!) USER MOD Single : A 6 THR OG1 : rot -13:sc= 0.103 USER MOD Single : A 21 MET CE :methyl -168:sc= 0 (180deg=-0.134) USER MOD Single : A 22 LYS NZ :NH3+ 155:sc= -0.0957 (180deg=-0.616) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -2.97! C(o=-3!,f=-3.4!) USER MOD Single : A 38 ASN : amide:sc= -1.55 K(o=-1.5,f=-2.3) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= -0.953 F(o=-2.4!,f=-0.95) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.52 K(o=-1.5,f=-5.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 71 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.2) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 85 SER OG : rot -36:sc= -0.205! USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.802 -13.280 19.572 1.00 0.00 N ATOM 21 CA THR A 2 51.217 -12.923 19.585 1.00 0.00 C ATOM 22 C THR A 2 51.956 -13.632 18.458 1.00 0.00 C ATOM 23 O THR A 2 51.613 -14.760 18.106 1.00 0.00 O ATOM 24 CB THR A 2 51.849 -13.331 20.915 1.00 0.00 C ATOM 25 OG1 THR A 2 50.837 -13.799 21.795 1.00 0.00 O ATOM 26 CG2 THR A 2 52.559 -12.127 21.540 1.00 0.00 C ATOM 0 HA THR A 2 51.295 -11.844 19.451 1.00 0.00 H new ATOM 0 HB THR A 2 52.576 -14.125 20.742 1.00 0.00 H new ATOM 0 HG1 THR A 2 50.000 -13.914 21.299 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.008 -12.422 22.488 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.337 -11.772 20.864 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.837 -11.329 21.713 1.00 0.00 H new ATOM 34 N VAL A 3 52.984 -12.991 17.903 1.00 0.00 N ATOM 35 CA VAL A 3 53.742 -13.609 16.852 1.00 0.00 C ATOM 36 C VAL A 3 55.175 -13.210 16.929 1.00 0.00 C ATOM 37 O VAL A 3 55.510 -12.044 17.130 1.00 0.00 O ATOM 38 CB VAL A 3 53.214 -13.211 15.505 1.00 0.00 C ATOM 39 CG1 VAL A 3 52.066 -14.127 15.143 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.745 -11.756 15.556 1.00 0.00 C ATOM 0 H VAL A 3 53.297 -12.057 18.169 1.00 0.00 H new ATOM 0 HA VAL A 3 53.650 -14.688 16.980 1.00 0.00 H new ATOM 0 HB VAL A 3 53.994 -13.299 14.749 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.673 -13.848 14.165 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.419 -15.158 15.112 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.278 -14.036 15.891 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.361 -11.463 14.579 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.957 -11.654 16.302 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.583 -11.113 15.824 1.00 0.00 H new ATOM 50 N LYS A 4 56.006 -14.191 16.756 1.00 0.00 N ATOM 51 CA LYS A 4 57.417 -13.985 16.788 1.00 0.00 C ATOM 52 C LYS A 4 58.102 -15.012 15.934 1.00 0.00 C ATOM 53 O LYS A 4 57.742 -16.190 15.946 1.00 0.00 O ATOM 54 CB LYS A 4 57.920 -14.093 18.204 1.00 0.00 C ATOM 55 CG LYS A 4 57.361 -15.373 18.843 1.00 0.00 C ATOM 56 CD LYS A 4 56.459 -15.026 20.032 1.00 0.00 C ATOM 57 CE LYS A 4 55.243 -14.206 19.573 1.00 0.00 C ATOM 58 NZ LYS A 4 54.588 -13.630 20.770 1.00 0.00 N ATOM 0 H LYS A 4 55.723 -15.157 16.589 1.00 0.00 H new ATOM 0 HA LYS A 4 57.637 -12.989 16.403 1.00 0.00 H new ATOM 0 HB2 LYS A 4 59.010 -14.113 18.215 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.611 -13.220 18.780 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.796 -15.940 18.103 1.00 0.00 H new ATOM 0 HG3 LYS A 4 58.181 -16.010 19.174 1.00 0.00 H new ATOM 0 HD2 LYS A 4 56.123 -15.942 20.519 1.00 0.00 H new ATOM 0 HD3 LYS A 4 57.026 -14.461 20.772 1.00 0.00 H new ATOM 0 HE2 LYS A 4 55.555 -13.413 18.893 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.544 -14.838 19.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 53.918 -12.890 20.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 54.076 -14.378 21.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.309 -13.216 21.395 1.00 0.00 H new ATOM 72 N GLN A 5 59.069 -14.561 15.172 1.00 0.00 N ATOM 73 CA GLN A 5 59.772 -15.458 14.284 1.00 0.00 C ATOM 74 C GLN A 5 61.239 -15.085 14.156 1.00 0.00 C ATOM 75 O GLN A 5 61.626 -13.933 14.320 1.00 0.00 O ATOM 76 CB GLN A 5 59.112 -15.390 12.925 1.00 0.00 C ATOM 77 CG GLN A 5 57.594 -15.304 13.102 1.00 0.00 C ATOM 78 CD GLN A 5 56.909 -15.398 11.742 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.209 -14.532 10.811 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.080 -16.281 11.521 1.00 0.00 N flip ATOM 0 H GLN A 5 59.385 -13.591 15.147 1.00 0.00 H new ATOM 0 HA GLN A 5 59.725 -16.468 14.692 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.475 -14.522 12.375 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.372 -16.271 12.338 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.248 -16.109 13.750 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.328 -14.366 13.589 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.847 -16.956 12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.626 -16.338 10.609 1.00 0.00 H new ATOM 89 N THR A 6 62.044 -16.074 13.853 1.00 0.00 N ATOM 90 CA THR A 6 63.458 -15.873 13.686 1.00 0.00 C ATOM 91 C THR A 6 63.817 -15.882 12.209 1.00 0.00 C ATOM 92 O THR A 6 63.804 -16.932 11.567 1.00 0.00 O ATOM 93 CB THR A 6 64.216 -16.980 14.412 1.00 0.00 C ATOM 94 OG1 THR A 6 63.548 -17.294 15.626 1.00 0.00 O ATOM 95 CG2 THR A 6 65.626 -16.501 14.713 1.00 0.00 C ATOM 0 H THR A 6 61.736 -17.037 13.716 1.00 0.00 H new ATOM 0 HA THR A 6 63.736 -14.907 14.107 1.00 0.00 H new ATOM 0 HB THR A 6 64.258 -17.871 13.785 1.00 0.00 H new ATOM 0 HG1 THR A 6 62.883 -16.601 15.822 1.00 0.00 H new ATOM 0 HG21 THR A 6 66.174 -17.287 15.232 1.00 0.00 H new ATOM 0 HG22 THR A 6 66.135 -16.259 13.780 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.582 -15.613 15.343 1.00 0.00 H new ATOM 103 N VAL A 7 64.136 -14.710 11.669 1.00 0.00 N ATOM 104 CA VAL A 7 64.492 -14.625 10.254 1.00 0.00 C ATOM 105 C VAL A 7 66.008 -14.639 10.086 1.00 0.00 C ATOM 106 O VAL A 7 66.706 -13.738 10.549 1.00 0.00 O ATOM 107 CB VAL A 7 63.920 -13.338 9.630 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.674 -13.537 8.122 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.601 -12.975 10.321 1.00 0.00 C ATOM 0 H VAL A 7 64.156 -13.824 12.174 1.00 0.00 H new ATOM 0 HA VAL A 7 64.066 -15.489 9.744 1.00 0.00 H new ATOM 0 HB VAL A 7 64.640 -12.531 9.766 1.00 0.00 H new ATOM 0 HG11 VAL A 7 63.270 -12.619 7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.615 -13.783 7.629 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.963 -14.350 7.973 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.197 -12.064 9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.887 -13.788 10.192 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.780 -12.814 11.384 1.00 0.00 H new ATOM 119 N GLU A 8 66.508 -15.664 9.407 1.00 0.00 N ATOM 120 CA GLU A 8 67.940 -15.782 9.168 1.00 0.00 C ATOM 121 C GLU A 8 68.310 -14.984 7.929 1.00 0.00 C ATOM 122 O GLU A 8 67.866 -15.303 6.826 1.00 0.00 O ATOM 123 CB GLU A 8 68.322 -17.252 8.971 1.00 0.00 C ATOM 124 CG GLU A 8 67.567 -18.120 9.982 1.00 0.00 C ATOM 125 CD GLU A 8 66.135 -18.349 9.508 1.00 0.00 C ATOM 126 OE1 GLU A 8 65.422 -19.080 10.175 1.00 0.00 O ATOM 127 OE2 GLU A 8 65.774 -17.790 8.486 1.00 0.00 O ATOM 0 H GLU A 8 65.947 -16.420 9.015 1.00 0.00 H new ATOM 0 HA GLU A 8 68.481 -15.391 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 8 68.082 -17.567 7.955 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.397 -17.379 9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.076 -19.076 10.104 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.562 -17.635 10.958 1.00 0.00 H new ATOM 134 N ILE A 9 69.111 -13.938 8.105 1.00 0.00 N ATOM 135 CA ILE A 9 69.497 -13.117 6.965 1.00 0.00 C ATOM 136 C ILE A 9 70.724 -13.678 6.283 1.00 0.00 C ATOM 137 O ILE A 9 71.507 -14.420 6.876 1.00 0.00 O ATOM 138 CB ILE A 9 69.804 -11.652 7.358 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.750 -11.433 8.887 1.00 0.00 C ATOM 140 CG2 ILE A 9 68.818 -10.725 6.660 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.831 -10.249 9.238 1.00 0.00 C ATOM 0 H ILE A 9 69.497 -13.644 9.002 1.00 0.00 H new ATOM 0 HA ILE A 9 68.640 -13.131 6.292 1.00 0.00 H new ATOM 0 HB ILE A 9 70.821 -11.425 7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.388 -12.337 9.376 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.754 -11.245 9.268 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.032 -9.692 6.935 1.00 0.00 H new ATOM 0 HG22 ILE A 9 68.913 -10.840 5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 9 67.802 -10.978 6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.809 -10.114 10.319 1.00 0.00 H new ATOM 0 HD12 ILE A 9 69.210 -9.342 8.767 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.823 -10.451 8.877 1.00 0.00 H new ATOM 311 N ALA A 20 62.382 -1.339 7.800 1.00 0.00 N ATOM 312 CA ALA A 20 62.403 -1.615 9.234 1.00 0.00 C ATOM 313 C ALA A 20 61.611 -0.539 9.963 1.00 0.00 C ATOM 314 O ALA A 20 61.119 -0.749 11.071 1.00 0.00 O ATOM 315 CB ALA A 20 63.852 -1.642 9.738 1.00 0.00 C ATOM 0 HA ALA A 20 61.950 -2.587 9.427 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.861 -1.848 10.808 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.405 -2.421 9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.320 -0.676 9.551 1.00 0.00 H new ATOM 321 N MET A 21 61.478 0.605 9.309 1.00 0.00 N ATOM 322 CA MET A 21 60.724 1.719 9.865 1.00 0.00 C ATOM 323 C MET A 21 59.264 1.565 9.467 1.00 0.00 C ATOM 324 O MET A 21 58.361 1.881 10.241 1.00 0.00 O ATOM 325 CB MET A 21 61.272 3.057 9.349 1.00 0.00 C ATOM 326 CG MET A 21 62.561 3.431 10.102 1.00 0.00 C ATOM 327 SD MET A 21 62.582 5.215 10.416 1.00 0.00 S ATOM 328 CE MET A 21 62.814 5.745 8.702 1.00 0.00 C ATOM 0 H MET A 21 61.883 0.787 8.391 1.00 0.00 H new ATOM 0 HA MET A 21 60.818 1.713 10.951 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.474 2.987 8.280 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.525 3.839 9.482 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.616 2.885 11.044 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.434 3.144 9.515 1.00 0.00 H new ATOM 0 HE1 MET A 21 63.068 6.805 8.680 1.00 0.00 H new ATOM 0 HE2 MET A 21 63.621 5.169 8.249 1.00 0.00 H new ATOM 0 HE3 MET A 21 61.893 5.581 8.143 1.00 0.00 H new ATOM 338 N LYS A 22 59.039 1.041 8.263 1.00 0.00 N ATOM 339 CA LYS A 22 57.681 0.810 7.792 1.00 0.00 C ATOM 340 C LYS A 22 56.909 0.128 8.911 1.00 0.00 C ATOM 341 O LYS A 22 55.802 0.527 9.249 1.00 0.00 O ATOM 342 CB LYS A 22 57.726 -0.046 6.514 1.00 0.00 C ATOM 343 CG LYS A 22 56.514 -0.985 6.405 1.00 0.00 C ATOM 344 CD LYS A 22 56.922 -2.229 5.614 1.00 0.00 C ATOM 345 CE LYS A 22 55.670 -2.987 5.167 1.00 0.00 C ATOM 346 NZ LYS A 22 54.944 -2.186 4.142 1.00 0.00 N ATOM 0 H LYS A 22 59.771 0.772 7.606 1.00 0.00 H new ATOM 0 HA LYS A 22 57.179 1.744 7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.758 0.607 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 22 58.643 -0.635 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 22 56.165 -1.267 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 22 55.687 -0.477 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 22 57.515 -1.942 4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.549 -2.874 6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 22 55.947 -3.958 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 22 55.022 -3.176 6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 54.376 -2.820 3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 54.319 -1.503 4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 55.630 -1.676 3.550 1.00 0.00 H new ATOM 360 N LEU A 23 57.542 -0.867 9.523 1.00 0.00 N ATOM 361 CA LEU A 23 56.960 -1.564 10.649 1.00 0.00 C ATOM 362 C LEU A 23 56.290 -0.549 11.553 1.00 0.00 C ATOM 363 O LEU A 23 55.167 -0.738 12.010 1.00 0.00 O ATOM 364 CB LEU A 23 58.094 -2.221 11.433 1.00 0.00 C ATOM 365 CG LEU A 23 58.285 -3.684 11.051 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.008 -3.793 9.699 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.136 -4.326 12.143 1.00 0.00 C ATOM 0 H LEU A 23 58.465 -1.206 9.251 1.00 0.00 H new ATOM 0 HA LEU A 23 56.238 -2.306 10.308 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.021 -1.676 11.253 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.884 -2.150 12.500 1.00 0.00 H new ATOM 0 HG LEU A 23 57.321 -4.184 10.959 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.137 -4.844 9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.416 -3.299 8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 23 59.984 -3.314 9.769 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.297 -5.378 11.907 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.097 -3.816 12.202 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.622 -4.243 13.101 1.00 0.00 H new ATOM 379 N PHE A 24 57.033 0.521 11.812 1.00 0.00 N ATOM 380 CA PHE A 24 56.573 1.587 12.680 1.00 0.00 C ATOM 381 C PHE A 24 55.473 2.402 11.998 1.00 0.00 C ATOM 382 O PHE A 24 54.322 2.443 12.450 1.00 0.00 O ATOM 383 CB PHE A 24 57.740 2.536 12.991 1.00 0.00 C ATOM 384 CG PHE A 24 59.031 1.812 13.377 1.00 0.00 C ATOM 385 CD1 PHE A 24 59.197 0.424 13.219 1.00 0.00 C ATOM 386 CD2 PHE A 24 60.094 2.573 13.879 1.00 0.00 C ATOM 387 CE1 PHE A 24 60.411 -0.180 13.564 1.00 0.00 C ATOM 388 CE2 PHE A 24 61.302 1.965 14.227 1.00 0.00 C ATOM 389 CZ PHE A 24 61.460 0.591 14.070 1.00 0.00 C ATOM 0 H PHE A 24 57.966 0.669 11.426 1.00 0.00 H new ATOM 0 HA PHE A 24 56.185 1.137 13.593 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.931 3.162 12.119 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.450 3.202 13.804 1.00 0.00 H new ATOM 0 HD1 PHE A 24 58.387 -0.176 12.831 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.978 3.640 13.998 1.00 0.00 H new ATOM 0 HE1 PHE A 24 60.537 -1.245 13.439 1.00 0.00 H new ATOM 0 HE2 PHE A 24 62.114 2.561 14.618 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.394 0.121 14.340 1.00 0.00 H new ATOM 399 N GLU A 25 55.840 3.044 10.897 1.00 0.00 N ATOM 400 CA GLU A 25 54.894 3.860 10.151 1.00 0.00 C ATOM 401 C GLU A 25 53.732 3.011 9.685 1.00 0.00 C ATOM 402 O GLU A 25 52.619 3.504 9.517 1.00 0.00 O ATOM 403 CB GLU A 25 55.584 4.505 8.947 1.00 0.00 C ATOM 404 CG GLU A 25 56.719 5.408 9.431 1.00 0.00 C ATOM 405 CD GLU A 25 57.293 6.198 8.260 1.00 0.00 C ATOM 406 OE1 GLU A 25 57.226 7.415 8.303 1.00 0.00 O ATOM 407 OE2 GLU A 25 57.790 5.574 7.337 1.00 0.00 O ATOM 0 H GLU A 25 56.780 3.016 10.503 1.00 0.00 H new ATOM 0 HA GLU A 25 54.520 4.647 10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.976 3.734 8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.864 5.086 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.350 6.092 10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.502 4.806 9.893 1.00 0.00 H new ATOM 414 N LEU A 26 53.991 1.727 9.497 1.00 0.00 N ATOM 415 CA LEU A 26 52.948 0.820 9.076 1.00 0.00 C ATOM 416 C LEU A 26 52.182 0.361 10.302 1.00 0.00 C ATOM 417 O LEU A 26 51.003 0.025 10.230 1.00 0.00 O ATOM 418 CB LEU A 26 53.555 -0.373 8.332 1.00 0.00 C ATOM 419 CG LEU A 26 52.470 -1.213 7.648 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.001 -2.288 8.610 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.272 -0.353 7.231 1.00 0.00 C ATOM 0 H LEU A 26 54.907 1.297 9.629 1.00 0.00 H new ATOM 0 HA LEU A 26 52.265 1.325 8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.266 -0.016 7.587 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.113 -0.995 9.032 1.00 0.00 H new ATOM 0 HG LEU A 26 52.896 -1.658 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 26 51.229 -2.891 8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 26 52.843 -2.925 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 26 51.594 -1.821 9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.523 -0.982 6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 26 50.838 0.118 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.602 0.417 6.534 1.00 0.00 H new ATOM 433 N MET A 27 52.855 0.388 11.444 1.00 0.00 N ATOM 434 CA MET A 27 52.210 0.014 12.686 1.00 0.00 C ATOM 435 C MET A 27 50.965 0.864 12.803 1.00 0.00 C ATOM 436 O MET A 27 49.946 0.445 13.349 1.00 0.00 O ATOM 437 CB MET A 27 53.147 0.230 13.891 1.00 0.00 C ATOM 438 CG MET A 27 52.832 1.549 14.609 1.00 0.00 C ATOM 439 SD MET A 27 51.378 1.333 15.666 1.00 0.00 S ATOM 440 CE MET A 27 52.255 0.782 17.149 1.00 0.00 C ATOM 0 H MET A 27 53.834 0.662 11.532 1.00 0.00 H new ATOM 0 HA MET A 27 51.957 -1.046 12.684 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.044 -0.601 14.589 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.183 0.235 13.553 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.687 1.861 15.209 1.00 0.00 H new ATOM 0 HG3 MET A 27 52.650 2.338 13.879 1.00 0.00 H new ATOM 0 HE1 MET A 27 51.537 0.587 17.945 1.00 0.00 H new ATOM 0 HE2 MET A 27 52.807 -0.131 16.927 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.951 1.558 17.470 1.00 0.00 H new ATOM 450 N GLN A 28 51.051 2.066 12.234 1.00 0.00 N ATOM 451 CA GLN A 28 49.906 2.956 12.237 1.00 0.00 C ATOM 452 C GLN A 28 48.806 2.289 11.422 1.00 0.00 C ATOM 453 O GLN A 28 47.637 2.668 11.485 1.00 0.00 O ATOM 454 CB GLN A 28 50.284 4.318 11.635 1.00 0.00 C ATOM 455 CG GLN A 28 50.089 4.304 10.114 1.00 0.00 C ATOM 456 CD GLN A 28 48.637 4.617 9.768 1.00 0.00 C ATOM 457 OE1 GLN A 28 47.982 3.841 9.072 1.00 0.00 O ATOM 458 NE2 GLN A 28 48.091 5.715 10.216 1.00 0.00 N ATOM 0 H GLN A 28 51.885 2.434 11.776 1.00 0.00 H new ATOM 0 HA GLN A 28 49.563 3.137 13.256 1.00 0.00 H new ATOM 0 HB2 GLN A 28 49.670 5.102 12.079 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.322 4.552 11.873 1.00 0.00 H new ATOM 0 HG2 GLN A 28 50.748 5.037 9.648 1.00 0.00 H new ATOM 0 HG3 GLN A 28 50.364 3.328 9.713 1.00 0.00 H new ATOM 0 HE21 GLN A 28 48.635 6.357 10.793 1.00 0.00 H new ATOM 0 HE22 GLN A 28 47.120 5.931 9.990 1.00 0.00 H new ATOM 467 N GLY A 29 49.214 1.258 10.680 1.00 0.00 N ATOM 468 CA GLY A 29 48.287 0.476 9.861 1.00 0.00 C ATOM 469 C GLY A 29 47.915 -0.803 10.601 1.00 0.00 C ATOM 470 O GLY A 29 46.743 -1.172 10.681 1.00 0.00 O ATOM 0 H GLY A 29 50.183 0.945 10.630 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.391 1.060 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 29 48.746 0.234 8.902 1.00 0.00 H new ATOM 474 N PHE A 30 48.925 -1.445 11.186 1.00 0.00 N ATOM 475 CA PHE A 30 48.704 -2.654 11.975 1.00 0.00 C ATOM 476 C PHE A 30 48.855 -2.294 13.443 1.00 0.00 C ATOM 477 O PHE A 30 49.874 -1.730 13.841 1.00 0.00 O ATOM 478 CB PHE A 30 49.732 -3.751 11.679 1.00 0.00 C ATOM 479 CG PHE A 30 49.758 -4.175 10.226 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.598 -4.258 9.448 1.00 0.00 C ATOM 481 CD2 PHE A 30 50.981 -4.538 9.678 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.685 -4.709 8.122 1.00 0.00 C ATOM 483 CE2 PHE A 30 51.076 -4.980 8.360 1.00 0.00 C ATOM 484 CZ PHE A 30 49.928 -5.071 7.578 1.00 0.00 C ATOM 0 H PHE A 30 49.900 -1.149 11.129 1.00 0.00 H new ATOM 0 HA PHE A 30 47.712 -3.030 11.724 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.723 -3.397 11.964 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.514 -4.620 12.299 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.642 -3.977 9.865 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.873 -4.477 10.283 1.00 0.00 H new ATOM 0 HE1 PHE A 30 47.793 -4.778 7.518 1.00 0.00 H new ATOM 0 HE2 PHE A 30 52.036 -5.251 7.947 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.993 -5.418 6.557 1.00 0.00 H new ATOM 494 N ASP A 31 47.878 -2.649 14.261 1.00 0.00 N ATOM 495 CA ASP A 31 47.979 -2.373 15.671 1.00 0.00 C ATOM 496 C ASP A 31 48.714 -3.529 16.280 1.00 0.00 C ATOM 497 O ASP A 31 48.150 -4.604 16.476 1.00 0.00 O ATOM 498 CB ASP A 31 46.593 -2.222 16.295 1.00 0.00 C ATOM 499 CG ASP A 31 46.721 -1.927 17.786 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.766 -1.440 18.186 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.772 -2.192 18.506 1.00 0.00 O ATOM 0 H ASP A 31 47.021 -3.121 13.972 1.00 0.00 H new ATOM 0 HA ASP A 31 48.507 -1.436 15.849 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.049 -1.416 15.802 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.016 -3.135 16.145 1.00 0.00 H new ATOM 506 N ALA A 32 49.992 -3.332 16.530 1.00 0.00 N ATOM 507 CA ALA A 32 50.785 -4.384 17.057 1.00 0.00 C ATOM 508 C ALA A 32 52.136 -3.854 17.450 1.00 0.00 C ATOM 509 O ALA A 32 52.637 -2.886 16.877 1.00 0.00 O ATOM 510 CB ALA A 32 50.940 -5.465 16.010 1.00 0.00 C ATOM 0 H ALA A 32 50.486 -2.454 16.373 1.00 0.00 H new ATOM 0 HA ALA A 32 50.299 -4.801 17.939 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.549 -6.275 16.411 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.958 -5.850 15.737 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.425 -5.049 15.127 1.00 0.00 H new ATOM 516 N GLU A 33 52.713 -4.491 18.432 1.00 0.00 N ATOM 517 CA GLU A 33 53.998 -4.100 18.924 1.00 0.00 C ATOM 518 C GLU A 33 55.038 -5.078 18.447 1.00 0.00 C ATOM 519 O GLU A 33 55.337 -6.074 19.104 1.00 0.00 O ATOM 520 CB GLU A 33 53.918 -4.079 20.424 1.00 0.00 C ATOM 521 CG GLU A 33 54.493 -2.767 20.932 1.00 0.00 C ATOM 522 CD GLU A 33 54.550 -2.768 22.456 1.00 0.00 C ATOM 523 OE1 GLU A 33 55.647 -2.804 22.988 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.495 -2.732 23.068 1.00 0.00 O ATOM 0 H GLU A 33 52.304 -5.294 18.910 1.00 0.00 H new ATOM 0 HA GLU A 33 54.281 -3.113 18.558 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.883 -4.187 20.747 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.471 -4.920 20.842 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.493 -2.618 20.524 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.880 -1.935 20.585 1.00 0.00 H new ATOM 531 N VAL A 34 55.569 -4.780 17.287 1.00 0.00 N ATOM 532 CA VAL A 34 56.571 -5.637 16.683 1.00 0.00 C ATOM 533 C VAL A 34 57.922 -5.391 17.319 1.00 0.00 C ATOM 534 O VAL A 34 58.353 -4.247 17.447 1.00 0.00 O ATOM 535 CB VAL A 34 56.689 -5.380 15.169 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.132 -6.663 14.441 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.351 -4.889 14.608 1.00 0.00 C ATOM 0 H VAL A 34 55.328 -3.954 16.740 1.00 0.00 H new ATOM 0 HA VAL A 34 56.259 -6.668 16.847 1.00 0.00 H new ATOM 0 HB VAL A 34 57.441 -4.609 15.005 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.211 -6.466 13.372 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.101 -6.982 14.824 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.398 -7.450 14.611 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.449 -4.711 13.537 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.584 -5.644 14.782 1.00 0.00 H new ATOM 0 HG23 VAL A 34 55.066 -3.962 15.105 1.00 0.00 H new ATOM 547 N LEU A 35 58.598 -6.463 17.713 1.00 0.00 N ATOM 548 CA LEU A 35 59.909 -6.313 18.314 1.00 0.00 C ATOM 549 C LEU A 35 60.956 -7.064 17.490 1.00 0.00 C ATOM 550 O LEU A 35 60.750 -8.212 17.096 1.00 0.00 O ATOM 551 CB LEU A 35 59.900 -6.824 19.756 1.00 0.00 C ATOM 552 CG LEU A 35 61.344 -7.032 20.246 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.426 -6.704 21.737 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.775 -8.490 20.014 1.00 0.00 C ATOM 0 H LEU A 35 58.266 -7.424 17.629 1.00 0.00 H new ATOM 0 HA LEU A 35 60.166 -5.254 18.326 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.387 -6.111 20.401 1.00 0.00 H new ATOM 0 HB3 LEU A 35 59.348 -7.762 19.815 1.00 0.00 H new ATOM 0 HG LEU A 35 62.010 -6.373 19.689 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.448 -6.851 22.086 1.00 0.00 H new ATOM 0 HD12 LEU A 35 61.133 -5.667 21.898 1.00 0.00 H new ATOM 0 HD13 LEU A 35 60.755 -7.361 22.291 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.798 -8.627 20.364 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.111 -9.157 20.563 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.722 -8.720 18.950 1.00 0.00 H new ATOM 566 N LEU A 36 62.067 -6.391 17.215 1.00 0.00 N ATOM 567 CA LEU A 36 63.149 -6.964 16.419 1.00 0.00 C ATOM 568 C LEU A 36 64.380 -7.243 17.277 1.00 0.00 C ATOM 569 O LEU A 36 64.866 -6.355 17.962 1.00 0.00 O ATOM 570 CB LEU A 36 63.536 -5.956 15.346 1.00 0.00 C ATOM 571 CG LEU A 36 62.585 -6.061 14.153 1.00 0.00 C ATOM 572 CD1 LEU A 36 61.136 -6.044 14.644 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.810 -4.866 13.234 1.00 0.00 C ATOM 0 H LEU A 36 62.244 -5.439 17.535 1.00 0.00 H new ATOM 0 HA LEU A 36 62.804 -7.903 15.986 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.505 -4.947 15.757 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.560 -6.136 15.020 1.00 0.00 H new ATOM 0 HG LEU A 36 62.776 -6.991 13.617 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.462 -6.119 13.791 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.969 -6.888 15.314 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.944 -5.113 15.178 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.136 -4.932 12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.613 -3.944 13.781 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.842 -4.866 12.883 1.00 0.00 H new ATOM 585 N ARG A 37 64.897 -8.468 17.226 1.00 0.00 N ATOM 586 CA ARG A 37 66.077 -8.811 17.990 1.00 0.00 C ATOM 587 C ARG A 37 66.928 -9.830 17.264 1.00 0.00 C ATOM 588 O ARG A 37 66.453 -10.544 16.391 1.00 0.00 O ATOM 589 CB ARG A 37 65.684 -9.388 19.338 1.00 0.00 C ATOM 590 CG ARG A 37 64.807 -10.608 19.127 1.00 0.00 C ATOM 591 CD ARG A 37 64.325 -11.159 20.476 1.00 0.00 C ATOM 592 NE ARG A 37 64.854 -12.502 20.684 1.00 0.00 N ATOM 593 CZ ARG A 37 64.828 -13.075 21.883 1.00 0.00 C ATOM 594 NH1 ARG A 37 65.317 -14.274 22.043 1.00 0.00 N ATOM 595 NH2 ARG A 37 64.312 -12.440 22.899 1.00 0.00 N ATOM 0 H ARG A 37 64.515 -9.230 16.666 1.00 0.00 H new ATOM 0 HA ARG A 37 66.652 -7.895 18.124 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.575 -9.660 19.903 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.151 -8.640 19.925 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.950 -10.345 18.507 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.364 -11.376 18.591 1.00 0.00 H new ATOM 0 HD2 ARG A 37 64.650 -10.502 21.283 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.235 -11.180 20.501 1.00 0.00 H new ATOM 0 HE ARG A 37 65.251 -13.011 19.895 1.00 0.00 H new ATOM 0 HH11 ARG A 37 65.719 -14.771 21.248 1.00 0.00 H new ATOM 0 HH12 ARG A 37 65.297 -14.714 22.963 1.00 0.00 H new ATOM 0 HH21 ARG A 37 63.928 -11.503 22.773 1.00 0.00 H new ATOM 0 HH22 ARG A 37 64.292 -12.880 23.819 1.00 0.00 H new ATOM 609 N ASN A 38 68.184 -9.906 17.665 1.00 0.00 N ATOM 610 CA ASN A 38 69.114 -10.861 17.078 1.00 0.00 C ATOM 611 C ASN A 38 69.273 -12.061 17.986 1.00 0.00 C ATOM 612 O ASN A 38 69.441 -11.902 19.202 1.00 0.00 O ATOM 613 CB ASN A 38 70.506 -10.272 16.935 1.00 0.00 C ATOM 614 CG ASN A 38 70.563 -9.137 15.946 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.805 -9.095 14.978 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.445 -8.206 16.143 1.00 0.00 N ATOM 0 H ASN A 38 68.586 -9.318 18.395 1.00 0.00 H new ATOM 0 HA ASN A 38 68.703 -11.129 16.105 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.847 -9.917 17.908 1.00 0.00 H new ATOM 0 HB3 ASN A 38 71.196 -11.055 16.622 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.517 -7.425 15.491 1.00 0.00 H new ATOM 0 HD22 ASN A 38 72.066 -8.255 16.950 1.00 0.00 H new ATOM 623 N ASP A 39 69.291 -13.248 17.392 1.00 0.00 N ATOM 624 CA ASP A 39 69.499 -14.458 18.167 1.00 0.00 C ATOM 625 C ASP A 39 70.772 -14.303 18.993 1.00 0.00 C ATOM 626 O ASP A 39 71.087 -15.133 19.845 1.00 0.00 O ATOM 627 CB ASP A 39 69.631 -15.659 17.234 1.00 0.00 C ATOM 628 CG ASP A 39 70.839 -15.480 16.321 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.952 -14.424 15.721 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.634 -16.401 16.237 1.00 0.00 O ATOM 0 H ASP A 39 69.166 -13.395 16.390 1.00 0.00 H new ATOM 0 HA ASP A 39 68.647 -14.620 18.828 1.00 0.00 H new ATOM 0 HB2 ASP A 39 69.738 -16.573 17.818 1.00 0.00 H new ATOM 0 HB3 ASP A 39 68.726 -15.767 16.636 1.00 0.00 H new ATOM 635 N GLU A 40 71.490 -13.214 18.725 1.00 0.00 N ATOM 636 CA GLU A 40 72.728 -12.911 19.429 1.00 0.00 C ATOM 637 C GLU A 40 72.421 -12.410 20.829 1.00 0.00 C ATOM 638 O GLU A 40 73.273 -12.438 21.717 1.00 0.00 O ATOM 639 CB GLU A 40 73.475 -11.800 18.685 1.00 0.00 C ATOM 640 CG GLU A 40 74.249 -12.373 17.500 1.00 0.00 C ATOM 641 CD GLU A 40 75.341 -13.320 17.988 1.00 0.00 C ATOM 642 OE1 GLU A 40 76.223 -12.861 18.695 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.280 -14.490 17.648 1.00 0.00 O ATOM 0 H GLU A 40 71.231 -12.524 18.020 1.00 0.00 H new ATOM 0 HA GLU A 40 73.332 -13.817 19.479 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.766 -11.049 18.335 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.162 -11.297 19.366 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.568 -12.904 16.835 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.693 -11.563 16.921 1.00 0.00 H new ATOM 650 N GLY A 41 71.203 -11.922 21.003 1.00 0.00 N ATOM 651 CA GLY A 41 70.780 -11.377 22.281 1.00 0.00 C ATOM 652 C GLY A 41 70.513 -9.887 22.129 1.00 0.00 C ATOM 653 O GLY A 41 70.189 -9.201 23.098 1.00 0.00 O ATOM 0 H GLY A 41 70.490 -11.893 20.274 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.880 -11.886 22.626 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.550 -11.545 23.034 1.00 0.00 H new ATOM 657 N THR A 42 70.631 -9.396 20.893 1.00 0.00 N ATOM 658 CA THR A 42 70.374 -7.978 20.627 1.00 0.00 C ATOM 659 C THR A 42 68.876 -7.794 20.427 1.00 0.00 C ATOM 660 O THR A 42 68.241 -8.604 19.759 1.00 0.00 O ATOM 661 CB THR A 42 71.170 -7.496 19.397 1.00 0.00 C ATOM 662 OG1 THR A 42 72.299 -6.756 19.838 1.00 0.00 O ATOM 663 CG2 THR A 42 70.304 -6.602 18.507 1.00 0.00 C ATOM 0 H THR A 42 70.897 -9.945 20.076 1.00 0.00 H new ATOM 0 HA THR A 42 70.705 -7.374 21.472 1.00 0.00 H new ATOM 0 HB THR A 42 71.485 -8.365 18.820 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.811 -6.447 19.062 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.886 -6.274 17.646 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.434 -7.162 18.165 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.975 -5.732 19.076 1.00 0.00 H new ATOM 671 N GLU A 43 68.305 -6.754 21.034 1.00 0.00 N ATOM 672 CA GLU A 43 66.861 -6.533 20.935 1.00 0.00 C ATOM 673 C GLU A 43 66.504 -5.128 20.473 1.00 0.00 C ATOM 674 O GLU A 43 67.059 -4.139 20.951 1.00 0.00 O ATOM 675 CB GLU A 43 66.207 -6.800 22.294 1.00 0.00 C ATOM 676 CG GLU A 43 67.002 -6.092 23.394 1.00 0.00 C ATOM 677 CD GLU A 43 66.389 -6.396 24.757 1.00 0.00 C ATOM 678 OE1 GLU A 43 65.657 -5.557 25.256 1.00 0.00 O ATOM 679 OE2 GLU A 43 66.661 -7.463 25.283 1.00 0.00 O ATOM 0 H GLU A 43 68.808 -6.062 21.590 1.00 0.00 H new ATOM 0 HA GLU A 43 66.485 -7.225 20.181 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.177 -6.444 22.289 1.00 0.00 H new ATOM 0 HB3 GLU A 43 66.173 -7.872 22.488 1.00 0.00 H new ATOM 0 HG2 GLU A 43 68.041 -6.420 23.372 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.004 -5.016 23.218 1.00 0.00 H new ATOM 686 N ALA A 44 65.557 -5.058 19.533 1.00 0.00 N ATOM 687 CA ALA A 44 65.108 -3.785 18.999 1.00 0.00 C ATOM 688 C ALA A 44 63.587 -3.707 18.934 1.00 0.00 C ATOM 689 O ALA A 44 62.941 -4.537 18.298 1.00 0.00 O ATOM 690 CB ALA A 44 65.651 -3.606 17.585 1.00 0.00 C ATOM 0 H ALA A 44 65.091 -5.872 19.131 1.00 0.00 H new ATOM 0 HA ALA A 44 65.475 -3.003 19.664 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.314 -2.650 17.184 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.741 -3.626 17.608 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.287 -4.414 16.951 1.00 0.00 H new ATOM 696 N GLU A 45 63.028 -2.680 19.553 1.00 0.00 N ATOM 697 CA GLU A 45 61.592 -2.472 19.515 1.00 0.00 C ATOM 698 C GLU A 45 61.226 -1.804 18.198 1.00 0.00 C ATOM 699 O GLU A 45 61.667 -0.687 17.930 1.00 0.00 O ATOM 700 CB GLU A 45 61.166 -1.573 20.673 1.00 0.00 C ATOM 701 CG GLU A 45 61.173 -2.380 21.964 1.00 0.00 C ATOM 702 CD GLU A 45 61.030 -1.450 23.165 1.00 0.00 C ATOM 703 OE1 GLU A 45 61.124 -1.936 24.280 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.829 -0.266 22.951 1.00 0.00 O ATOM 0 H GLU A 45 63.545 -1.981 20.085 1.00 0.00 H new ATOM 0 HA GLU A 45 61.082 -3.432 19.603 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.844 -0.724 20.758 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.171 -1.169 20.488 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.357 -3.103 21.955 1.00 0.00 H new ATOM 0 HG3 GLU A 45 62.100 -2.947 22.042 1.00 0.00 H new ATOM 711 N ALA A 46 60.446 -2.490 17.368 1.00 0.00 N ATOM 712 CA ALA A 46 60.062 -1.934 16.077 1.00 0.00 C ATOM 713 C ALA A 46 59.393 -0.569 16.227 1.00 0.00 C ATOM 714 O ALA A 46 58.386 -0.289 15.578 1.00 0.00 O ATOM 715 CB ALA A 46 59.096 -2.871 15.376 1.00 0.00 C ATOM 0 H ALA A 46 60.072 -3.419 17.563 1.00 0.00 H new ATOM 0 HA ALA A 46 60.973 -1.816 15.490 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.814 -2.448 14.412 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.574 -3.838 15.222 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.205 -3.001 15.990 1.00 0.00 H new ATOM 721 N ASN A 47 59.958 0.274 17.075 1.00 0.00 N ATOM 722 CA ASN A 47 59.417 1.607 17.296 1.00 0.00 C ATOM 723 C ASN A 47 60.563 2.588 17.464 1.00 0.00 C ATOM 724 O ASN A 47 60.358 3.800 17.539 1.00 0.00 O ATOM 725 CB ASN A 47 58.535 1.619 18.546 1.00 0.00 C ATOM 726 CG ASN A 47 58.077 3.042 18.848 1.00 0.00 C ATOM 727 OD1 ASN A 47 58.862 3.843 19.514 1.00 0.00 O flip ATOM 728 ND2 ASN A 47 56.974 3.434 18.466 1.00 0.00 N flip ATOM 0 H ASN A 47 60.792 0.060 17.623 1.00 0.00 H new ATOM 0 HA ASN A 47 58.809 1.896 16.439 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.669 0.974 18.396 1.00 0.00 H new ATOM 0 HB3 ASN A 47 59.088 1.218 19.395 1.00 0.00 H new ATOM 0 HD21 ASN A 47 56.362 2.806 17.945 1.00 0.00 H new ATOM 0 HD22 ASN A 47 56.673 4.387 18.670 1.00 0.00 H new ATOM 735 N SER A 48 61.777 2.046 17.519 1.00 0.00 N ATOM 736 CA SER A 48 62.971 2.870 17.676 1.00 0.00 C ATOM 737 C SER A 48 63.967 2.581 16.556 1.00 0.00 C ATOM 738 O SER A 48 64.201 1.425 16.205 1.00 0.00 O ATOM 739 CB SER A 48 63.620 2.583 19.032 1.00 0.00 C ATOM 740 OG SER A 48 63.195 3.561 19.972 1.00 0.00 O ATOM 0 H SER A 48 61.959 1.044 17.457 1.00 0.00 H new ATOM 0 HA SER A 48 62.683 3.920 17.626 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.344 1.586 19.377 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.706 2.599 18.939 1.00 0.00 H new ATOM 0 HG SER A 48 63.607 3.379 20.842 1.00 0.00 H new ATOM 746 N VAL A 49 64.556 3.636 16.002 1.00 0.00 N ATOM 747 CA VAL A 49 65.529 3.471 14.929 1.00 0.00 C ATOM 748 C VAL A 49 66.866 3.036 15.504 1.00 0.00 C ATOM 749 O VAL A 49 67.600 2.270 14.880 1.00 0.00 O ATOM 750 CB VAL A 49 65.684 4.771 14.150 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.485 4.509 12.873 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.293 5.296 13.784 1.00 0.00 C ATOM 0 H VAL A 49 64.379 4.603 16.274 1.00 0.00 H new ATOM 0 HA VAL A 49 65.173 2.700 14.245 1.00 0.00 H new ATOM 0 HB VAL A 49 66.210 5.508 14.758 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.596 5.439 12.316 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.470 4.123 13.134 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.960 3.778 12.258 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.391 6.227 13.226 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.775 4.558 13.171 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.721 5.477 14.694 1.00 0.00 H new ATOM 762 N ILE A 50 67.158 3.489 16.718 1.00 0.00 N ATOM 763 CA ILE A 50 68.371 3.102 17.382 1.00 0.00 C ATOM 764 C ILE A 50 68.377 1.589 17.437 1.00 0.00 C ATOM 765 O ILE A 50 69.406 0.932 17.286 1.00 0.00 O ATOM 766 CB ILE A 50 68.338 3.721 18.782 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.600 4.552 19.018 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.205 2.647 19.852 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.851 3.686 18.824 1.00 0.00 C ATOM 0 H ILE A 50 66.564 4.124 17.252 1.00 0.00 H new ATOM 0 HA ILE A 50 69.272 3.442 16.872 1.00 0.00 H new ATOM 0 HB ILE A 50 67.466 4.372 18.847 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.623 5.395 18.328 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.588 4.965 20.027 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.184 3.115 20.836 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.281 2.090 19.695 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.054 1.966 19.792 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.742 4.290 18.995 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.833 2.857 19.532 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.868 3.294 17.807 1.00 0.00 H new ATOM 781 N ALA A 51 67.177 1.066 17.627 1.00 0.00 N ATOM 782 CA ALA A 51 66.952 -0.354 17.676 1.00 0.00 C ATOM 783 C ALA A 51 67.362 -0.967 16.344 1.00 0.00 C ATOM 784 O ALA A 51 68.252 -1.811 16.283 1.00 0.00 O ATOM 785 CB ALA A 51 65.461 -0.596 17.945 1.00 0.00 C ATOM 0 H ALA A 51 66.333 1.624 17.751 1.00 0.00 H new ATOM 0 HA ALA A 51 67.542 -0.815 18.468 1.00 0.00 H new ATOM 0 HB1 ALA A 51 65.268 -1.668 17.986 1.00 0.00 H new ATOM 0 HB2 ALA A 51 65.184 -0.141 18.896 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.870 -0.151 17.144 1.00 0.00 H new ATOM 791 N LEU A 52 66.716 -0.515 15.278 1.00 0.00 N ATOM 792 CA LEU A 52 67.023 -1.002 13.948 1.00 0.00 C ATOM 793 C LEU A 52 68.520 -0.877 13.688 1.00 0.00 C ATOM 794 O LEU A 52 69.159 -1.808 13.194 1.00 0.00 O ATOM 795 CB LEU A 52 66.235 -0.191 12.914 1.00 0.00 C ATOM 796 CG LEU A 52 64.739 -0.197 13.275 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.985 0.843 12.430 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.141 -1.590 13.019 1.00 0.00 C ATOM 0 H LEU A 52 65.977 0.188 15.312 1.00 0.00 H new ATOM 0 HA LEU A 52 66.740 -2.051 13.868 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.606 0.833 12.882 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.380 -0.614 11.920 1.00 0.00 H new ATOM 0 HG LEU A 52 64.636 0.054 14.331 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.928 0.829 12.694 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.394 1.835 12.623 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.098 0.603 11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.082 -1.584 13.277 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.256 -1.848 11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.660 -2.327 13.632 1.00 0.00 H new ATOM 810 N LEU A 53 69.075 0.276 14.040 1.00 0.00 N ATOM 811 CA LEU A 53 70.500 0.513 13.855 1.00 0.00 C ATOM 812 C LEU A 53 71.315 -0.490 14.672 1.00 0.00 C ATOM 813 O LEU A 53 72.366 -0.958 14.235 1.00 0.00 O ATOM 814 CB LEU A 53 70.838 1.943 14.298 1.00 0.00 C ATOM 815 CG LEU A 53 71.977 2.519 13.442 1.00 0.00 C ATOM 816 CD1 LEU A 53 73.182 1.573 13.481 1.00 0.00 C ATOM 817 CD2 LEU A 53 71.507 2.701 11.989 1.00 0.00 C ATOM 0 H LEU A 53 68.564 1.056 14.452 1.00 0.00 H new ATOM 0 HA LEU A 53 70.750 0.388 12.801 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.954 2.575 14.210 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.128 1.945 15.349 1.00 0.00 H new ATOM 0 HG LEU A 53 72.266 3.490 13.845 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.988 1.985 12.873 1.00 0.00 H new ATOM 0 HD12 LEU A 53 73.524 1.462 14.510 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.892 0.598 13.088 1.00 0.00 H new ATOM 0 HD21 LEU A 53 72.322 3.110 11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 53 71.206 1.736 11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 53 70.660 3.386 11.964 1.00 0.00 H new ATOM 829 N MET A 54 70.820 -0.805 15.864 1.00 0.00 N ATOM 830 CA MET A 54 71.505 -1.745 16.750 1.00 0.00 C ATOM 831 C MET A 54 71.682 -3.110 16.087 1.00 0.00 C ATOM 832 O MET A 54 72.684 -3.789 16.310 1.00 0.00 O ATOM 833 CB MET A 54 70.710 -1.918 18.047 1.00 0.00 C ATOM 834 CG MET A 54 71.569 -2.649 19.083 1.00 0.00 C ATOM 835 SD MET A 54 72.750 -1.490 19.817 1.00 0.00 S ATOM 836 CE MET A 54 74.117 -2.657 20.029 1.00 0.00 C ATOM 0 H MET A 54 69.951 -0.426 16.240 1.00 0.00 H new ATOM 0 HA MET A 54 72.491 -1.334 16.968 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.407 -0.944 18.432 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.797 -2.482 17.854 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.935 -3.078 19.859 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.100 -3.476 18.612 1.00 0.00 H new ATOM 0 HE1 MET A 54 74.968 -2.143 20.476 1.00 0.00 H new ATOM 0 HE2 MET A 54 73.802 -3.472 20.681 1.00 0.00 H new ATOM 0 HE3 MET A 54 74.406 -3.060 19.058 1.00 0.00 H new ATOM 846 N LEU A 55 70.702 -3.515 15.284 1.00 0.00 N ATOM 847 CA LEU A 55 70.772 -4.815 14.615 1.00 0.00 C ATOM 848 C LEU A 55 71.538 -4.705 13.303 1.00 0.00 C ATOM 849 O LEU A 55 71.876 -5.711 12.689 1.00 0.00 O ATOM 850 CB LEU A 55 69.366 -5.390 14.361 1.00 0.00 C ATOM 851 CG LEU A 55 68.312 -4.604 15.147 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.923 -5.168 14.837 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.592 -4.731 16.651 1.00 0.00 C ATOM 0 H LEU A 55 69.862 -2.973 15.081 1.00 0.00 H new ATOM 0 HA LEU A 55 71.305 -5.498 15.277 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.138 -5.350 13.296 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.338 -6.440 14.654 1.00 0.00 H new ATOM 0 HG LEU A 55 68.352 -3.553 14.859 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.171 -4.610 15.395 1.00 0.00 H new ATOM 0 HD12 LEU A 55 66.724 -5.077 13.769 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.884 -6.218 15.126 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.842 -4.171 17.209 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.552 -5.781 16.941 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.582 -4.331 16.872 1.00 0.00 H new ATOM 865 N ASP A 56 71.814 -3.478 12.885 1.00 0.00 N ATOM 866 CA ASP A 56 72.554 -3.249 11.653 1.00 0.00 C ATOM 867 C ASP A 56 73.739 -4.192 11.610 1.00 0.00 C ATOM 868 O ASP A 56 74.076 -4.744 10.562 1.00 0.00 O ATOM 869 CB ASP A 56 73.040 -1.800 11.588 1.00 0.00 C ATOM 870 CG ASP A 56 73.730 -1.540 10.254 1.00 0.00 C ATOM 871 OD1 ASP A 56 74.949 -1.500 10.238 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.030 -1.386 9.267 1.00 0.00 O ATOM 0 H ASP A 56 71.538 -2.629 13.379 1.00 0.00 H new ATOM 0 HA ASP A 56 71.903 -3.433 10.799 1.00 0.00 H new ATOM 0 HB2 ASP A 56 72.197 -1.119 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.730 -1.602 12.408 1.00 0.00 H new ATOM 877 N SER A 57 74.348 -4.398 12.770 1.00 0.00 N ATOM 878 CA SER A 57 75.470 -5.307 12.865 1.00 0.00 C ATOM 879 C SER A 57 75.010 -6.685 12.423 1.00 0.00 C ATOM 880 O SER A 57 75.818 -7.593 12.229 1.00 0.00 O ATOM 881 CB SER A 57 75.986 -5.365 14.303 1.00 0.00 C ATOM 882 OG SER A 57 75.009 -5.988 15.127 1.00 0.00 O ATOM 0 H SER A 57 74.084 -3.950 13.648 1.00 0.00 H new ATOM 0 HA SER A 57 76.281 -4.959 12.225 1.00 0.00 H new ATOM 0 HB2 SER A 57 76.922 -5.922 14.344 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.198 -4.359 14.667 1.00 0.00 H new ATOM 0 HG SER A 57 75.337 -6.029 16.050 1.00 0.00 H new ATOM 888 N ALA A 58 73.693 -6.827 12.259 1.00 0.00 N ATOM 889 CA ALA A 58 73.129 -8.105 11.827 1.00 0.00 C ATOM 890 C ALA A 58 73.925 -8.651 10.654 1.00 0.00 C ATOM 891 O ALA A 58 74.965 -9.282 10.830 1.00 0.00 O ATOM 892 CB ALA A 58 71.670 -7.943 11.395 1.00 0.00 C ATOM 0 H ALA A 58 73.009 -6.087 12.416 1.00 0.00 H new ATOM 0 HA ALA A 58 73.178 -8.794 12.670 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.275 -8.908 11.079 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.082 -7.567 12.232 1.00 0.00 H new ATOM 0 HB3 ALA A 58 71.612 -7.238 10.566 1.00 0.00 H new ATOM 898 N LYS A 59 73.420 -8.392 9.454 1.00 0.00 N ATOM 899 CA LYS A 59 74.072 -8.843 8.236 1.00 0.00 C ATOM 900 C LYS A 59 74.720 -10.215 8.428 1.00 0.00 C ATOM 901 O LYS A 59 75.941 -10.326 8.528 1.00 0.00 O ATOM 902 CB LYS A 59 75.127 -7.824 7.783 1.00 0.00 C ATOM 903 CG LYS A 59 76.000 -7.397 8.969 1.00 0.00 C ATOM 904 CD LYS A 59 77.134 -6.489 8.479 1.00 0.00 C ATOM 905 CE LYS A 59 76.617 -5.058 8.306 1.00 0.00 C ATOM 906 NZ LYS A 59 77.767 -4.143 8.055 1.00 0.00 N ATOM 0 H LYS A 59 72.557 -7.870 9.301 1.00 0.00 H new ATOM 0 HA LYS A 59 73.307 -8.932 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 59 75.751 -8.259 7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.637 -6.951 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.394 -6.872 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.413 -8.276 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 59 77.958 -6.504 9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.526 -6.860 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 59 75.913 -5.012 7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 59 76.077 -4.744 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 77.418 -3.171 7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 78.423 -4.180 8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 78.264 -4.439 7.191 1.00 0.00 H new ATOM 920 N GLY A 60 73.891 -11.261 8.466 1.00 0.00 N ATOM 921 CA GLY A 60 74.398 -12.625 8.632 1.00 0.00 C ATOM 922 C GLY A 60 73.867 -13.263 9.913 1.00 0.00 C ATOM 923 O GLY A 60 73.836 -14.487 10.041 1.00 0.00 O ATOM 0 H GLY A 60 72.877 -11.192 8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.106 -13.230 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.488 -12.610 8.656 1.00 0.00 H new ATOM 927 N ARG A 61 73.450 -12.428 10.856 1.00 0.00 N ATOM 928 CA ARG A 61 72.923 -12.911 12.120 1.00 0.00 C ATOM 929 C ARG A 61 71.444 -13.221 11.976 1.00 0.00 C ATOM 930 O ARG A 61 70.812 -12.799 11.011 1.00 0.00 O ATOM 931 CB ARG A 61 73.139 -11.838 13.185 1.00 0.00 C ATOM 932 CG ARG A 61 74.621 -11.460 13.190 1.00 0.00 C ATOM 933 CD ARG A 61 74.915 -10.454 14.314 1.00 0.00 C ATOM 934 NE ARG A 61 76.234 -10.701 14.910 1.00 0.00 N ATOM 935 CZ ARG A 61 76.624 -11.909 15.317 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.837 -12.080 15.765 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.789 -12.913 15.303 1.00 0.00 N ATOM 0 H ARG A 61 73.468 -11.412 10.767 1.00 0.00 H new ATOM 0 HA ARG A 61 73.440 -13.824 12.415 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.524 -10.963 12.973 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.838 -12.209 14.165 1.00 0.00 H new ATOM 0 HG2 ARG A 61 75.230 -12.354 13.325 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.896 -11.029 12.227 1.00 0.00 H new ATOM 0 HD2 ARG A 61 74.875 -9.439 13.918 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.145 -10.527 15.082 1.00 0.00 H new ATOM 0 HE ARG A 61 76.878 -9.917 15.017 1.00 0.00 H new ATOM 0 HH11 ARG A 61 78.483 -11.291 15.803 1.00 0.00 H new ATOM 0 HH12 ARG A 61 78.140 -13.002 16.078 1.00 0.00 H new ATOM 0 HH21 ARG A 61 74.832 -12.776 14.979 1.00 0.00 H new ATOM 0 HH22 ARG A 61 76.094 -13.835 15.616 1.00 0.00 H new ATOM 951 N GLN A 62 70.888 -13.953 12.933 1.00 0.00 N ATOM 952 CA GLN A 62 69.474 -14.292 12.874 1.00 0.00 C ATOM 953 C GLN A 62 68.688 -13.362 13.762 1.00 0.00 C ATOM 954 O GLN A 62 69.058 -13.114 14.909 1.00 0.00 O ATOM 955 CB GLN A 62 69.236 -15.740 13.305 1.00 0.00 C ATOM 956 CG GLN A 62 70.391 -16.600 12.808 1.00 0.00 C ATOM 957 CD GLN A 62 70.011 -18.076 12.867 1.00 0.00 C ATOM 958 OE1 GLN A 62 69.529 -18.633 11.880 1.00 0.00 O ATOM 959 NE2 GLN A 62 70.200 -18.746 13.971 1.00 0.00 N ATOM 0 H GLN A 62 71.385 -14.318 13.746 1.00 0.00 H new ATOM 0 HA GLN A 62 69.141 -14.182 11.842 1.00 0.00 H new ATOM 0 HB2 GLN A 62 69.160 -15.802 14.391 1.00 0.00 H new ATOM 0 HB3 GLN A 62 68.293 -16.104 12.898 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.646 -16.323 11.785 1.00 0.00 H new ATOM 0 HG3 GLN A 62 71.277 -16.420 13.417 1.00 0.00 H new ATOM 0 HE21 GLN A 62 70.599 -18.282 14.787 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.948 -19.733 14.018 1.00 0.00 H new ATOM 968 N ILE A 63 67.600 -12.853 13.224 1.00 0.00 N ATOM 969 CA ILE A 63 66.758 -11.951 13.963 1.00 0.00 C ATOM 970 C ILE A 63 65.534 -12.683 14.437 1.00 0.00 C ATOM 971 O ILE A 63 65.045 -13.593 13.777 1.00 0.00 O ATOM 972 CB ILE A 63 66.338 -10.794 13.075 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.645 -9.720 13.916 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.371 -11.304 12.004 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.681 -8.749 14.480 1.00 0.00 C ATOM 0 H ILE A 63 67.282 -13.052 12.276 1.00 0.00 H new ATOM 0 HA ILE A 63 67.311 -11.566 14.820 1.00 0.00 H new ATOM 0 HB ILE A 63 67.220 -10.364 12.600 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.922 -9.179 13.306 1.00 0.00 H new ATOM 0 HG13 ILE A 63 65.090 -10.186 14.730 1.00 0.00 H new ATOM 0 HG21 ILE A 63 65.067 -10.476 11.364 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.865 -12.066 11.401 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.491 -11.734 12.483 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.179 -7.988 15.077 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.388 -9.294 15.106 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.217 -8.271 13.660 1.00 0.00 H new ATOM 987 N GLU A 64 65.044 -12.256 15.574 1.00 0.00 N ATOM 988 CA GLU A 64 63.857 -12.841 16.156 1.00 0.00 C ATOM 989 C GLU A 64 62.784 -11.774 16.190 1.00 0.00 C ATOM 990 O GLU A 64 62.837 -10.845 16.993 1.00 0.00 O ATOM 991 CB GLU A 64 64.174 -13.372 17.562 1.00 0.00 C ATOM 992 CG GLU A 64 63.740 -14.834 17.688 1.00 0.00 C ATOM 993 CD GLU A 64 62.219 -14.933 17.679 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.696 -15.641 16.834 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.598 -14.299 18.517 1.00 0.00 O ATOM 0 H GLU A 64 65.452 -11.498 16.121 1.00 0.00 H new ATOM 0 HA GLU A 64 63.505 -13.686 15.564 1.00 0.00 H new ATOM 0 HB2 GLU A 64 65.243 -13.285 17.759 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.662 -12.768 18.310 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.155 -15.416 16.865 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.134 -15.260 18.611 1.00 0.00 H new ATOM 1002 N VAL A 65 61.830 -11.883 15.282 1.00 0.00 N ATOM 1003 CA VAL A 65 60.781 -10.901 15.204 1.00 0.00 C ATOM 1004 C VAL A 65 59.669 -11.251 16.158 1.00 0.00 C ATOM 1005 O VAL A 65 59.290 -12.410 16.251 1.00 0.00 O ATOM 1006 CB VAL A 65 60.225 -10.877 13.785 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.450 -12.167 13.516 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.294 -9.680 13.639 1.00 0.00 C ATOM 0 H VAL A 65 61.766 -12.637 14.598 1.00 0.00 H new ATOM 0 HA VAL A 65 61.187 -9.925 15.468 1.00 0.00 H new ATOM 0 HB VAL A 65 61.043 -10.797 13.069 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.053 -12.148 12.501 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.116 -13.022 13.629 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.627 -12.252 14.226 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.891 -9.654 12.627 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.475 -9.766 14.353 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.849 -8.762 13.832 1.00 0.00 H new ATOM 1018 N GLU A 66 59.128 -10.258 16.849 1.00 0.00 N ATOM 1019 CA GLU A 66 58.024 -10.529 17.749 1.00 0.00 C ATOM 1020 C GLU A 66 57.021 -9.383 17.741 1.00 0.00 C ATOM 1021 O GLU A 66 57.373 -8.256 18.075 1.00 0.00 O ATOM 1022 CB GLU A 66 58.502 -10.748 19.180 1.00 0.00 C ATOM 1023 CG GLU A 66 57.279 -10.752 20.102 1.00 0.00 C ATOM 1024 CD GLU A 66 57.620 -11.422 21.429 1.00 0.00 C ATOM 1025 OE1 GLU A 66 58.782 -11.397 21.801 1.00 0.00 O ATOM 1026 OE2 GLU A 66 56.715 -11.949 22.054 1.00 0.00 O ATOM 0 H GLU A 66 59.427 -9.284 16.805 1.00 0.00 H new ATOM 0 HA GLU A 66 57.547 -11.441 17.391 1.00 0.00 H new ATOM 0 HB2 GLU A 66 59.040 -11.692 19.260 1.00 0.00 H new ATOM 0 HB3 GLU A 66 59.196 -9.960 19.473 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.944 -9.730 20.278 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.455 -11.279 19.622 1.00 0.00 H new ATOM 1033 N ALA A 67 55.766 -9.668 17.391 1.00 0.00 N ATOM 1034 CA ALA A 67 54.746 -8.620 17.386 1.00 0.00 C ATOM 1035 C ALA A 67 53.580 -9.005 18.280 1.00 0.00 C ATOM 1036 O ALA A 67 53.375 -10.184 18.566 1.00 0.00 O ATOM 1037 CB ALA A 67 54.265 -8.349 15.963 1.00 0.00 C ATOM 0 H ALA A 67 55.437 -10.593 17.114 1.00 0.00 H new ATOM 0 HA ALA A 67 55.191 -7.706 17.779 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.506 -7.567 15.978 1.00 0.00 H new ATOM 0 HB2 ALA A 67 55.106 -8.027 15.350 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.838 -9.260 15.543 1.00 0.00 H new ATOM 1043 N THR A 68 52.830 -8.006 18.749 1.00 0.00 N ATOM 1044 CA THR A 68 51.712 -8.282 19.631 1.00 0.00 C ATOM 1045 C THR A 68 50.625 -7.205 19.543 1.00 0.00 C ATOM 1046 O THR A 68 50.753 -6.128 20.125 1.00 0.00 O ATOM 1047 CB THR A 68 52.217 -8.353 21.069 1.00 0.00 C ATOM 1048 OG1 THR A 68 53.214 -9.359 21.173 1.00 0.00 O ATOM 1049 CG2 THR A 68 51.052 -8.683 21.993 1.00 0.00 C ATOM 0 H THR A 68 52.978 -7.020 18.534 1.00 0.00 H new ATOM 0 HA THR A 68 51.272 -9.230 19.321 1.00 0.00 H new ATOM 0 HB THR A 68 52.647 -7.393 21.356 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.539 -9.403 22.096 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.407 -8.735 23.022 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.291 -7.907 21.911 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.623 -9.644 21.708 1.00 0.00 H new ATOM 1057 N GLY A 69 49.548 -7.523 18.835 1.00 0.00 N ATOM 1058 CA GLY A 69 48.417 -6.610 18.687 1.00 0.00 C ATOM 1059 C GLY A 69 47.449 -7.121 17.624 1.00 0.00 C ATOM 1060 O GLY A 69 47.719 -8.103 16.944 1.00 0.00 O ATOM 0 H GLY A 69 49.432 -8.413 18.350 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.898 -6.508 19.640 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.777 -5.618 18.412 1.00 0.00 H new ATOM 1064 N PRO A 70 46.329 -6.485 17.469 1.00 0.00 N ATOM 1065 CA PRO A 70 45.310 -6.893 16.467 1.00 0.00 C ATOM 1066 C PRO A 70 45.912 -7.421 15.168 1.00 0.00 C ATOM 1067 O PRO A 70 45.550 -8.502 14.704 1.00 0.00 O ATOM 1068 CB PRO A 70 44.551 -5.598 16.231 1.00 0.00 C ATOM 1069 CG PRO A 70 44.554 -4.929 17.566 1.00 0.00 C ATOM 1070 CD PRO A 70 45.890 -5.300 18.226 1.00 0.00 C ATOM 0 HA PRO A 70 44.694 -7.721 16.819 1.00 0.00 H new ATOM 0 HB2 PRO A 70 45.038 -4.982 15.475 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.536 -5.788 15.882 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.458 -3.848 17.460 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.713 -5.266 18.172 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.613 -4.487 18.154 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.766 -5.524 19.286 1.00 0.00 H new ATOM 1078 N GLN A 71 46.803 -6.639 14.567 1.00 0.00 N ATOM 1079 CA GLN A 71 47.414 -7.039 13.289 1.00 0.00 C ATOM 1080 C GLN A 71 48.934 -7.235 13.383 1.00 0.00 C ATOM 1081 O GLN A 71 49.671 -6.864 12.470 1.00 0.00 O ATOM 1082 CB GLN A 71 47.099 -5.983 12.228 1.00 0.00 C ATOM 1083 CG GLN A 71 45.655 -6.152 11.746 1.00 0.00 C ATOM 1084 CD GLN A 71 45.184 -4.879 11.052 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.887 -4.895 9.857 1.00 0.00 O ATOM 1086 NE2 GLN A 71 45.096 -3.770 11.734 1.00 0.00 N ATOM 0 H GLN A 71 47.119 -5.739 14.930 1.00 0.00 H new ATOM 0 HA GLN A 71 46.987 -8.004 13.016 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.240 -4.984 12.641 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.787 -6.081 11.388 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.589 -6.996 11.059 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.005 -6.377 12.591 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.342 -3.759 12.724 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.781 -2.914 11.277 1.00 0.00 H new ATOM 1095 N GLU A 72 49.396 -7.840 14.470 1.00 0.00 N ATOM 1096 CA GLU A 72 50.825 -8.098 14.649 1.00 0.00 C ATOM 1097 C GLU A 72 51.350 -9.018 13.567 1.00 0.00 C ATOM 1098 O GLU A 72 52.486 -8.879 13.120 1.00 0.00 O ATOM 1099 CB GLU A 72 51.064 -8.738 16.025 1.00 0.00 C ATOM 1100 CG GLU A 72 49.846 -9.568 16.415 1.00 0.00 C ATOM 1101 CD GLU A 72 50.217 -10.590 17.479 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.398 -10.806 17.674 1.00 0.00 O ATOM 1103 OE2 GLU A 72 49.313 -11.138 18.087 1.00 0.00 O ATOM 0 H GLU A 72 48.808 -8.161 15.239 1.00 0.00 H new ATOM 0 HA GLU A 72 51.356 -7.149 14.583 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.953 -9.368 15.996 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.245 -7.965 16.772 1.00 0.00 H new ATOM 0 HG2 GLU A 72 49.058 -8.915 16.789 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.449 -10.077 15.537 1.00 0.00 H new ATOM 1110 N GLU A 73 50.524 -9.951 13.151 1.00 0.00 N ATOM 1111 CA GLU A 73 50.928 -10.886 12.122 1.00 0.00 C ATOM 1112 C GLU A 73 51.282 -10.138 10.845 1.00 0.00 C ATOM 1113 O GLU A 73 52.418 -10.185 10.390 1.00 0.00 O ATOM 1114 CB GLU A 73 49.799 -11.884 11.845 1.00 0.00 C ATOM 1115 CG GLU A 73 49.640 -12.837 13.043 1.00 0.00 C ATOM 1116 CD GLU A 73 49.858 -14.282 12.602 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.019 -15.110 12.916 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.862 -14.539 11.958 1.00 0.00 O ATOM 0 H GLU A 73 49.576 -10.084 13.504 1.00 0.00 H new ATOM 0 HA GLU A 73 51.806 -11.431 12.469 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.865 -11.351 11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.018 -12.454 10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.356 -12.575 13.822 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.645 -12.727 13.474 1.00 0.00 H new ATOM 1125 N GLU A 74 50.309 -9.432 10.286 1.00 0.00 N ATOM 1126 CA GLU A 74 50.537 -8.668 9.065 1.00 0.00 C ATOM 1127 C GLU A 74 51.810 -7.840 9.192 1.00 0.00 C ATOM 1128 O GLU A 74 52.602 -7.733 8.257 1.00 0.00 O ATOM 1129 CB GLU A 74 49.349 -7.735 8.814 1.00 0.00 C ATOM 1130 CG GLU A 74 48.062 -8.390 9.315 1.00 0.00 C ATOM 1131 CD GLU A 74 46.850 -7.632 8.786 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.839 -6.418 8.901 1.00 0.00 O ATOM 1133 OE2 GLU A 74 45.951 -8.277 8.272 1.00 0.00 O ATOM 0 H GLU A 74 49.360 -9.372 10.655 1.00 0.00 H new ATOM 0 HA GLU A 74 50.644 -9.361 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.507 -6.785 9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.266 -7.515 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.022 -9.429 8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 74 48.049 -8.398 10.405 1.00 0.00 H new ATOM 1140 N ALA A 75 51.974 -7.253 10.363 1.00 0.00 N ATOM 1141 CA ALA A 75 53.127 -6.405 10.661 1.00 0.00 C ATOM 1142 C ALA A 75 54.407 -7.216 10.728 1.00 0.00 C ATOM 1143 O ALA A 75 55.338 -6.968 9.973 1.00 0.00 O ATOM 1144 CB ALA A 75 52.889 -5.682 12.004 1.00 0.00 C ATOM 0 H ALA A 75 51.316 -7.347 11.137 1.00 0.00 H new ATOM 0 HA ALA A 75 53.239 -5.675 9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.745 -5.048 12.232 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.991 -5.068 11.933 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.762 -6.419 12.797 1.00 0.00 H new ATOM 1150 N LEU A 76 54.432 -8.184 11.620 1.00 0.00 N ATOM 1151 CA LEU A 76 55.590 -9.048 11.793 1.00 0.00 C ATOM 1152 C LEU A 76 55.778 -9.907 10.549 1.00 0.00 C ATOM 1153 O LEU A 76 56.892 -10.301 10.204 1.00 0.00 O ATOM 1154 CB LEU A 76 55.330 -9.896 13.037 1.00 0.00 C ATOM 1155 CG LEU A 76 56.152 -11.184 13.056 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.157 -11.712 14.498 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.525 -12.237 12.120 1.00 0.00 C ATOM 0 H LEU A 76 53.655 -8.397 12.246 1.00 0.00 H new ATOM 0 HA LEU A 76 56.508 -8.476 11.925 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.561 -9.309 13.926 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.270 -10.146 13.086 1.00 0.00 H new ATOM 0 HG LEU A 76 57.167 -10.986 12.711 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.737 -12.634 14.546 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.604 -10.967 15.157 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.134 -11.911 14.816 1.00 0.00 H new ATOM 0 HD21 LEU A 76 56.123 -13.148 12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.510 -12.459 12.450 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.498 -11.849 11.102 1.00 0.00 H new ATOM 1169 N ALA A 77 54.671 -10.161 9.873 1.00 0.00 N ATOM 1170 CA ALA A 77 54.676 -10.946 8.647 1.00 0.00 C ATOM 1171 C ALA A 77 55.034 -10.060 7.457 1.00 0.00 C ATOM 1172 O ALA A 77 55.429 -10.551 6.399 1.00 0.00 O ATOM 1173 CB ALA A 77 53.281 -11.532 8.431 1.00 0.00 C ATOM 0 H ALA A 77 53.748 -9.832 10.155 1.00 0.00 H new ATOM 0 HA ALA A 77 55.414 -11.743 8.732 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.272 -12.123 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 77 53.019 -12.169 9.276 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.555 -10.723 8.348 1.00 0.00 H new ATOM 1179 N ALA A 78 54.892 -8.751 7.643 1.00 0.00 N ATOM 1180 CA ALA A 78 55.201 -7.796 6.584 1.00 0.00 C ATOM 1181 C ALA A 78 56.690 -7.493 6.594 1.00 0.00 C ATOM 1182 O ALA A 78 57.287 -7.193 5.557 1.00 0.00 O ATOM 1183 CB ALA A 78 54.395 -6.505 6.779 1.00 0.00 C ATOM 0 H ALA A 78 54.567 -8.329 8.513 1.00 0.00 H new ATOM 0 HA ALA A 78 54.929 -8.229 5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.636 -5.802 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.330 -6.734 6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.646 -6.061 7.742 1.00 0.00 H new ATOM 1189 N VAL A 79 57.292 -7.618 7.769 1.00 0.00 N ATOM 1190 CA VAL A 79 58.718 -7.399 7.904 1.00 0.00 C ATOM 1191 C VAL A 79 59.414 -8.597 7.305 1.00 0.00 C ATOM 1192 O VAL A 79 60.349 -8.477 6.529 1.00 0.00 O ATOM 1193 CB VAL A 79 59.105 -7.271 9.387 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.858 -7.089 10.233 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.822 -8.541 9.840 1.00 0.00 C ATOM 0 H VAL A 79 56.815 -7.868 8.635 1.00 0.00 H new ATOM 0 HA VAL A 79 59.008 -6.479 7.397 1.00 0.00 H new ATOM 0 HB VAL A 79 59.760 -6.408 9.507 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.140 -6.999 11.282 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.334 -6.186 9.919 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.203 -7.951 10.106 1.00 0.00 H new ATOM 0 HG21 VAL A 79 60.096 -8.449 10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 79 59.161 -9.398 9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.722 -8.684 9.242 1.00 0.00 H new ATOM 1205 N ILE A 80 58.924 -9.761 7.697 1.00 0.00 N ATOM 1206 CA ILE A 80 59.457 -11.011 7.229 1.00 0.00 C ATOM 1207 C ILE A 80 59.556 -10.980 5.738 1.00 0.00 C ATOM 1208 O ILE A 80 60.643 -11.058 5.184 1.00 0.00 O ATOM 1209 CB ILE A 80 58.534 -12.109 7.724 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.857 -12.314 9.209 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.729 -13.398 6.915 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.520 -13.667 9.434 1.00 0.00 C ATOM 0 H ILE A 80 58.145 -9.857 8.349 1.00 0.00 H new ATOM 0 HA ILE A 80 60.462 -11.195 7.610 1.00 0.00 H new ATOM 0 HB ILE A 80 57.487 -11.832 7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.516 -11.518 9.556 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.942 -12.249 9.798 1.00 0.00 H new ATOM 0 HG21 ILE A 80 58.056 -14.169 7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.510 -13.205 5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.760 -13.737 7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.741 -13.792 10.494 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.848 -14.460 9.107 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.446 -13.718 8.862 1.00 0.00 H new ATOM 1224 N ALA A 81 58.437 -10.802 5.079 1.00 0.00 N ATOM 1225 CA ALA A 81 58.488 -10.701 3.643 1.00 0.00 C ATOM 1226 C ALA A 81 59.568 -9.700 3.302 1.00 0.00 C ATOM 1227 O ALA A 81 60.129 -9.713 2.206 1.00 0.00 O ATOM 1228 CB ALA A 81 57.162 -10.224 3.081 1.00 0.00 C ATOM 0 H ALA A 81 57.510 -10.726 5.497 1.00 0.00 H new ATOM 0 HA ALA A 81 58.698 -11.679 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.230 -10.157 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.377 -10.929 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 81 56.925 -9.242 3.491 1.00 0.00 H new ATOM 1234 N LEU A 82 59.879 -8.842 4.281 1.00 0.00 N ATOM 1235 CA LEU A 82 60.919 -7.861 4.095 1.00 0.00 C ATOM 1236 C LEU A 82 62.234 -8.440 4.591 1.00 0.00 C ATOM 1237 O LEU A 82 63.283 -8.244 3.979 1.00 0.00 O ATOM 1238 CB LEU A 82 60.565 -6.573 4.841 1.00 0.00 C ATOM 1239 CG LEU A 82 60.869 -5.372 3.945 1.00 0.00 C ATOM 1240 CD1 LEU A 82 62.348 -5.410 3.539 1.00 0.00 C ATOM 1241 CD2 LEU A 82 59.978 -5.427 2.691 1.00 0.00 C ATOM 0 H LEU A 82 59.424 -8.818 5.194 1.00 0.00 H new ATOM 0 HA LEU A 82 61.017 -7.615 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.511 -6.577 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.137 -6.506 5.766 1.00 0.00 H new ATOM 0 HG LEU A 82 60.665 -4.447 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 82 62.572 -4.556 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 82 62.972 -5.368 4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 82 62.553 -6.333 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 82 60.195 -4.571 2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.177 -6.348 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 82 58.930 -5.401 2.988 1.00 0.00 H new ATOM 1253 N PHE A 83 62.165 -9.186 5.691 1.00 0.00 N ATOM 1254 CA PHE A 83 63.350 -9.815 6.229 1.00 0.00 C ATOM 1255 C PHE A 83 63.734 -10.957 5.314 1.00 0.00 C ATOM 1256 O PHE A 83 64.911 -11.227 5.073 1.00 0.00 O ATOM 1257 CB PHE A 83 63.102 -10.330 7.638 1.00 0.00 C ATOM 1258 CG PHE A 83 63.063 -9.193 8.634 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.217 -9.480 9.992 1.00 0.00 C ATOM 1260 CD2 PHE A 83 62.867 -7.861 8.220 1.00 0.00 C ATOM 1261 CE1 PHE A 83 63.179 -8.457 10.932 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.831 -6.840 9.168 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.988 -7.141 10.521 1.00 0.00 C ATOM 0 H PHE A 83 61.309 -9.363 6.216 1.00 0.00 H new ATOM 0 HA PHE A 83 64.158 -9.085 6.285 1.00 0.00 H new ATOM 0 HB2 PHE A 83 62.159 -10.876 7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.887 -11.033 7.915 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.366 -10.500 10.313 1.00 0.00 H new ATOM 0 HD2 PHE A 83 62.745 -7.632 7.172 1.00 0.00 H new ATOM 0 HE1 PHE A 83 63.298 -8.683 11.981 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.682 -5.817 8.855 1.00 0.00 H new ATOM 0 HZ PHE A 83 62.961 -6.348 11.254 1.00 0.00 H new ATOM 1273 N ASN A 84 62.705 -11.592 4.783 1.00 0.00 N ATOM 1274 CA ASN A 84 62.871 -12.684 3.853 1.00 0.00 C ATOM 1275 C ASN A 84 63.303 -12.114 2.528 1.00 0.00 C ATOM 1276 O ASN A 84 63.851 -12.799 1.665 1.00 0.00 O ATOM 1277 CB ASN A 84 61.534 -13.408 3.692 1.00 0.00 C ATOM 1278 CG ASN A 84 61.744 -14.916 3.605 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.566 -15.386 2.818 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.044 -15.706 4.372 1.00 0.00 N ATOM 0 H ASN A 84 61.732 -11.362 4.987 1.00 0.00 H new ATOM 0 HA ASN A 84 63.619 -13.388 4.216 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.885 -13.174 4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.029 -13.054 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.177 -16.716 4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.364 -15.314 5.023 1.00 0.00 H new ATOM 1287 N SER A 85 63.032 -10.838 2.403 1.00 0.00 N ATOM 1288 CA SER A 85 63.369 -10.100 1.188 1.00 0.00 C ATOM 1289 C SER A 85 63.213 -8.598 1.398 1.00 0.00 C ATOM 1290 O SER A 85 64.163 -7.982 1.852 1.00 0.00 O ATOM 1291 CB SER A 85 62.466 -10.548 0.038 1.00 0.00 C ATOM 1292 OG SER A 85 62.403 -11.968 0.014 1.00 0.00 O ATOM 1293 OXT SER A 85 62.149 -8.086 1.094 1.00 0.00 O ATOM 0 H SER A 85 62.578 -10.278 3.125 1.00 0.00 H new ATOM 0 HA SER A 85 64.410 -10.311 0.943 1.00 0.00 H new ATOM 0 HB2 SER A 85 61.467 -10.131 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 85 62.853 -10.174 -0.910 1.00 0.00 H new ATOM 0 HG SER A 85 63.275 -12.338 0.266 1.00 0.00 H new