USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 91:sc= 1.41 USER MOD Set 1.2: A 62 CYS SG : rot -58:sc= 0.296 USER MOD Set 2.1: A 46 HIS : no HD1:sc=-0.00398 X(o=0.095,f=-0.0042) USER MOD Set 2.2: A 48 CYS SG : rot -3:sc= 0.0989 USER MOD Single : A 3 HIS : no HE2:sc= -2.95! C(o=-2.9!,f=-4.8!) USER MOD Single : A 4 MET CE :methyl -162:sc= -0.142 (180deg=-0.646) USER MOD Single : A 6 GLN : amide:sc= -5.52! K(o=-5.5!,f=-2.8) USER MOD Single : A 11 THR OG1 : rot -57:sc= 1.07 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.7) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.806 USER MOD Single : A 44 CYS SG : rot 30:sc= -4.43! USER MOD Single : A 47 ASN : amide:sc= -0.0456 K(o=-0.046,f=-1.5!) USER MOD Single : A 55 MET CE :methyl -160:sc= -0.145 (180deg=-0.646) USER MOD Single : A 56 SER OG : rot -11:sc= 0.913 USER MOD Single : A 58 SER OG : rot -9:sc= 0.954 USER MOD Single : A 59 LYS NZ :NH3+ -108:sc= -1.56 (180deg=-3.77!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= -0.039 (180deg=-0.282) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -0.0207 (180deg=-0.197) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0361 (180deg=-0.243) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= -0.213 (180deg=-0.353) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -97:sc= 0.166 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -128:sc= 0.22 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0485 (180deg=-0.282) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -23.467 4.454 5.049 1.00 0.00 N ATOM 2 CA HIS A 3 -24.442 4.162 3.965 1.00 0.00 C ATOM 3 C HIS A 3 -23.855 4.482 2.594 1.00 0.00 C ATOM 4 O HIS A 3 -24.051 3.734 1.636 1.00 0.00 O ATOM 5 CB HIS A 3 -25.706 4.991 4.210 1.00 0.00 C ATOM 6 CG HIS A 3 -25.460 6.468 4.255 1.00 0.00 C ATOM 7 ND1 HIS A 3 -24.615 7.061 5.168 1.00 0.00 N ATOM 8 CD2 HIS A 3 -25.953 7.472 3.493 1.00 0.00 C ATOM 9 CE1 HIS A 3 -24.598 8.367 4.966 1.00 0.00 C ATOM 10 NE2 HIS A 3 -25.402 8.642 3.956 1.00 0.00 N ATOM 0 HA HIS A 3 -24.683 3.099 3.976 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -26.429 4.776 3.423 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -26.158 4.678 5.151 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -24.085 6.569 5.887 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -26.650 7.372 2.674 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -24.024 9.087 5.531 1.00 0.00 H new ATOM 21 N MET A 4 -23.137 5.598 2.506 1.00 0.00 N ATOM 22 CA MET A 4 -22.524 6.018 1.251 1.00 0.00 C ATOM 23 C MET A 4 -21.368 5.096 0.862 1.00 0.00 C ATOM 24 O MET A 4 -21.406 3.893 1.126 1.00 0.00 O ATOM 25 CB MET A 4 -22.029 7.462 1.368 1.00 0.00 C ATOM 26 CG MET A 4 -23.138 8.468 1.626 1.00 0.00 C ATOM 27 SD MET A 4 -24.378 8.486 0.316 1.00 0.00 S ATOM 28 CE MET A 4 -23.363 8.892 -1.103 1.00 0.00 C ATOM 0 H MET A 4 -22.966 6.228 3.290 1.00 0.00 H new ATOM 0 HA MET A 4 -23.280 5.958 0.468 1.00 0.00 H new ATOM 0 HB2 MET A 4 -21.300 7.523 2.176 1.00 0.00 H new ATOM 0 HB3 MET A 4 -21.510 7.734 0.449 1.00 0.00 H new ATOM 0 HG2 MET A 4 -23.621 8.235 2.575 1.00 0.00 H new ATOM 0 HG3 MET A 4 -22.705 9.463 1.725 1.00 0.00 H new ATOM 0 HE1 MET A 4 -23.997 9.251 -1.913 1.00 0.00 H new ATOM 0 HE2 MET A 4 -22.649 9.669 -0.829 1.00 0.00 H new ATOM 0 HE3 MET A 4 -22.824 8.003 -1.431 1.00 0.00 H new ATOM 38 N ARG A 5 -20.340 5.670 0.236 1.00 0.00 N ATOM 39 CA ARG A 5 -19.171 4.909 -0.190 1.00 0.00 C ATOM 40 C ARG A 5 -18.115 5.839 -0.782 1.00 0.00 C ATOM 41 O ARG A 5 -18.429 6.715 -1.589 1.00 0.00 O ATOM 42 CB ARG A 5 -19.567 3.846 -1.215 1.00 0.00 C ATOM 43 CG ARG A 5 -18.406 2.970 -1.653 1.00 0.00 C ATOM 44 CD ARG A 5 -18.874 1.834 -2.543 1.00 0.00 C ATOM 45 NE ARG A 5 -19.499 2.322 -3.770 1.00 0.00 N ATOM 46 CZ ARG A 5 -19.988 1.525 -4.716 1.00 0.00 C ATOM 47 NH1 ARG A 5 -19.924 0.207 -4.580 1.00 0.00 N ATOM 48 NH2 ARG A 5 -20.541 2.047 -5.802 1.00 0.00 N ATOM 0 H ARG A 5 -20.296 6.664 0.013 1.00 0.00 H new ATOM 0 HA ARG A 5 -18.750 4.412 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -20.348 3.216 -0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -19.993 4.336 -2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -17.673 3.575 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -17.904 2.563 -0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -18.025 1.199 -2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -19.584 1.214 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 5 -19.564 3.330 -3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -19.498 -0.200 -3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -20.300 -0.400 -5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -20.591 3.060 -5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -20.916 1.436 -6.527 1.00 0.00 H new ATOM 62 N GLN A 6 -16.864 5.646 -0.374 1.00 0.00 N ATOM 63 CA GLN A 6 -15.764 6.473 -0.861 1.00 0.00 C ATOM 64 C GLN A 6 -14.509 5.633 -1.093 1.00 0.00 C ATOM 65 O GLN A 6 -14.209 4.725 -0.317 1.00 0.00 O ATOM 66 CB GLN A 6 -15.446 7.602 0.127 1.00 0.00 C ATOM 67 CG GLN A 6 -16.610 8.549 0.390 1.00 0.00 C ATOM 68 CD GLN A 6 -17.650 7.980 1.341 1.00 0.00 C ATOM 69 OE1 GLN A 6 -18.710 8.575 1.541 1.00 0.00 O ATOM 70 NE2 GLN A 6 -17.351 6.836 1.949 1.00 0.00 N ATOM 0 H GLN A 6 -16.587 4.925 0.292 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.080 6.909 -1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.129 7.163 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.603 8.178 -0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.224 9.481 0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.090 8.794 -0.557 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.463 6.373 1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.010 6.421 2.608 1.00 0.00 H new ATOM 79 N PRO A 7 -13.755 5.930 -2.168 1.00 0.00 N ATOM 80 CA PRO A 7 -12.526 5.203 -2.500 1.00 0.00 C ATOM 81 C PRO A 7 -11.510 5.234 -1.361 1.00 0.00 C ATOM 82 O PRO A 7 -11.419 6.222 -0.631 1.00 0.00 O ATOM 83 CB PRO A 7 -11.974 5.941 -3.729 1.00 0.00 C ATOM 84 CG PRO A 7 -12.694 7.245 -3.764 1.00 0.00 C ATOM 85 CD PRO A 7 -14.036 6.998 -3.140 1.00 0.00 C ATOM 0 HA PRO A 7 -12.724 4.147 -2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.897 6.089 -3.648 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.149 5.371 -4.641 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.144 8.009 -3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.801 7.604 -4.788 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -14.427 7.893 -2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.774 6.687 -3.879 1.00 0.00 H new ATOM 93 N PRO A 8 -10.734 4.147 -1.190 1.00 0.00 N ATOM 94 CA PRO A 8 -9.725 4.057 -0.129 1.00 0.00 C ATOM 95 C PRO A 8 -8.749 5.227 -0.157 1.00 0.00 C ATOM 96 O PRO A 8 -8.310 5.654 -1.224 1.00 0.00 O ATOM 97 CB PRO A 8 -8.992 2.748 -0.437 1.00 0.00 C ATOM 98 CG PRO A 8 -9.963 1.941 -1.227 1.00 0.00 C ATOM 99 CD PRO A 8 -10.779 2.926 -2.016 1.00 0.00 C ATOM 0 HA PRO A 8 -10.178 4.084 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.078 2.931 -1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.703 2.232 0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.445 1.246 -1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.598 1.345 -0.572 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.357 3.095 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.801 2.576 -2.161 1.00 0.00 H new ATOM 107 N LEU A 9 -8.411 5.739 1.022 1.00 0.00 N ATOM 108 CA LEU A 9 -7.485 6.858 1.125 1.00 0.00 C ATOM 109 C LEU A 9 -6.445 6.587 2.207 1.00 0.00 C ATOM 110 O LEU A 9 -6.762 6.558 3.397 1.00 0.00 O ATOM 111 CB LEU A 9 -8.252 8.151 1.432 1.00 0.00 C ATOM 112 CG LEU A 9 -7.470 9.459 1.244 1.00 0.00 C ATOM 113 CD1 LEU A 9 -8.409 10.652 1.343 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.353 9.590 2.271 1.00 0.00 C ATOM 0 H LEU A 9 -8.764 5.397 1.916 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.969 6.976 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.136 8.185 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.603 8.106 2.463 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.018 9.438 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.842 11.573 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.173 10.579 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.886 10.660 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.819 10.527 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.779 9.583 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.661 8.755 2.164 1.00 0.00 H new ATOM 126 N VAL A 10 -5.199 6.399 1.783 1.00 0.00 N ATOM 127 CA VAL A 10 -4.105 6.140 2.710 1.00 0.00 C ATOM 128 C VAL A 10 -3.551 7.443 3.276 1.00 0.00 C ATOM 129 O VAL A 10 -3.426 8.437 2.561 1.00 0.00 O ATOM 130 CB VAL A 10 -2.963 5.355 2.033 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.821 5.116 3.009 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.479 4.038 1.473 1.00 0.00 C ATOM 0 H VAL A 10 -4.923 6.421 0.801 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.512 5.537 3.522 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.581 5.952 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.026 4.561 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.432 6.073 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.185 4.542 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.659 3.498 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.891 3.435 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.257 4.236 0.736 1.00 0.00 H new ATOM 142 N THR A 11 -3.221 7.431 4.562 1.00 0.00 N ATOM 143 CA THR A 11 -2.679 8.610 5.225 1.00 0.00 C ATOM 144 C THR A 11 -1.999 8.229 6.538 1.00 0.00 C ATOM 145 O THR A 11 -2.209 8.867 7.570 1.00 0.00 O ATOM 146 CB THR A 11 -3.776 9.655 5.495 1.00 0.00 C ATOM 147 OG1 THR A 11 -3.227 10.785 6.185 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.897 9.046 6.313 1.00 0.00 C ATOM 0 H THR A 11 -3.320 6.616 5.167 1.00 0.00 H new ATOM 0 HA THR A 11 -1.940 9.049 4.554 1.00 0.00 H new ATOM 0 HB THR A 11 -4.179 9.986 4.538 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.802 10.486 7.016 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.665 9.798 6.495 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.332 8.208 5.768 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.502 8.693 7.265 1.00 0.00 H new ATOM 156 N GLY A 12 -1.181 7.182 6.488 1.00 0.00 N ATOM 157 CA GLY A 12 -0.482 6.731 7.675 1.00 0.00 C ATOM 158 C GLY A 12 0.473 5.586 7.397 1.00 0.00 C ATOM 159 O GLY A 12 0.181 4.704 6.591 1.00 0.00 O ATOM 0 H GLY A 12 -0.991 6.639 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.074 7.566 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.211 6.417 8.422 1.00 0.00 H new ATOM 163 N ILE A 13 1.619 5.608 8.071 1.00 0.00 N ATOM 164 CA ILE A 13 2.633 4.573 7.907 1.00 0.00 C ATOM 165 C ILE A 13 3.638 4.624 9.055 1.00 0.00 C ATOM 166 O ILE A 13 4.188 5.683 9.362 1.00 0.00 O ATOM 167 CB ILE A 13 3.377 4.731 6.562 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.441 3.640 6.401 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.006 6.116 6.458 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.145 3.672 5.061 1.00 0.00 C ATOM 0 H ILE A 13 1.869 6.336 8.740 1.00 0.00 H new ATOM 0 HA ILE A 13 2.126 3.608 7.914 1.00 0.00 H new ATOM 0 HB ILE A 13 2.653 4.622 5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.182 3.747 7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.972 2.665 6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.526 6.209 5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.227 6.875 6.522 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.716 6.255 7.273 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.884 2.872 5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.415 3.534 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.644 4.633 4.935 1.00 0.00 H new ATOM 182 N SER A 14 3.868 3.481 9.698 1.00 0.00 N ATOM 183 CA SER A 14 4.802 3.422 10.816 1.00 0.00 C ATOM 184 C SER A 14 6.224 3.757 10.356 1.00 0.00 C ATOM 185 O SER A 14 6.825 4.708 10.855 1.00 0.00 O ATOM 186 CB SER A 14 4.760 2.047 11.490 1.00 0.00 C ATOM 187 OG SER A 14 5.656 1.988 12.586 1.00 0.00 O ATOM 0 H SER A 14 3.425 2.592 9.466 1.00 0.00 H new ATOM 0 HA SER A 14 4.497 4.169 11.549 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.747 1.838 11.833 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.017 1.275 10.765 1.00 0.00 H new ATOM 0 HG SER A 14 5.609 1.101 13.000 1.00 0.00 H new ATOM 193 N PRO A 15 6.789 2.997 9.392 1.00 0.00 N ATOM 194 CA PRO A 15 8.130 3.253 8.889 1.00 0.00 C ATOM 195 C PRO A 15 8.128 4.220 7.711 1.00 0.00 C ATOM 196 O PRO A 15 7.727 3.862 6.605 1.00 0.00 O ATOM 197 CB PRO A 15 8.582 1.866 8.447 1.00 0.00 C ATOM 198 CG PRO A 15 7.335 1.190 7.979 1.00 0.00 C ATOM 199 CD PRO A 15 6.177 1.838 8.708 1.00 0.00 C ATOM 0 HA PRO A 15 8.778 3.720 9.631 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.322 1.927 7.649 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.044 1.319 9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.220 1.298 6.900 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.374 0.121 8.190 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.394 2.150 8.016 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.718 1.151 9.419 1.00 0.00 H new ATOM 207 N ASN A 16 8.582 5.448 7.949 1.00 0.00 N ATOM 208 CA ASN A 16 8.631 6.454 6.895 1.00 0.00 C ATOM 209 C ASN A 16 9.980 6.419 6.182 1.00 0.00 C ATOM 210 O ASN A 16 10.425 7.421 5.622 1.00 0.00 O ATOM 211 CB ASN A 16 8.373 7.846 7.475 1.00 0.00 C ATOM 212 CG ASN A 16 7.057 7.925 8.223 1.00 0.00 C ATOM 213 OD1 ASN A 16 6.839 7.204 9.197 1.00 0.00 O ATOM 214 ND2 ASN A 16 6.172 8.806 7.772 1.00 0.00 N ATOM 0 H ASN A 16 8.919 5.768 8.857 1.00 0.00 H new ATOM 0 HA ASN A 16 7.851 6.229 6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.187 8.113 8.149 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.374 8.579 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.269 8.906 8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.395 9.383 6.961 1.00 0.00 H new ATOM 221 N GLU A 17 10.616 5.249 6.205 1.00 0.00 N ATOM 222 CA GLU A 17 11.913 5.051 5.562 1.00 0.00 C ATOM 223 C GLU A 17 12.392 3.618 5.768 1.00 0.00 C ATOM 224 O GLU A 17 12.391 3.108 6.889 1.00 0.00 O ATOM 225 CB GLU A 17 12.950 6.036 6.113 1.00 0.00 C ATOM 226 CG GLU A 17 13.201 5.893 7.606 1.00 0.00 C ATOM 227 CD GLU A 17 14.241 6.872 8.117 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.016 8.095 7.995 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.281 6.417 8.635 1.00 0.00 O ATOM 0 H GLU A 17 10.249 4.417 6.667 1.00 0.00 H new ATOM 0 HA GLU A 17 11.795 5.236 4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.891 5.894 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.617 7.053 5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.266 6.047 8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.528 4.876 7.820 1.00 0.00 H new ATOM 236 N GLY A 18 12.793 2.968 4.680 1.00 0.00 N ATOM 237 CA GLY A 18 13.260 1.597 4.771 1.00 0.00 C ATOM 238 C GLY A 18 13.372 0.930 3.416 1.00 0.00 C ATOM 239 O GLY A 18 12.603 1.231 2.504 1.00 0.00 O ATOM 0 H GLY A 18 12.803 3.365 3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.233 1.580 5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.576 1.025 5.398 1.00 0.00 H new ATOM 243 N ILE A 19 14.331 0.018 3.283 1.00 0.00 N ATOM 244 CA ILE A 19 14.535 -0.697 2.030 1.00 0.00 C ATOM 245 C ILE A 19 13.228 -1.326 1.545 1.00 0.00 C ATOM 246 O ILE A 19 12.332 -1.600 2.343 1.00 0.00 O ATOM 247 CB ILE A 19 15.614 -1.791 2.170 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.215 -2.800 3.248 1.00 0.00 C ATOM 249 CG2 ILE A 19 16.962 -1.158 2.493 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.189 -3.951 3.399 1.00 0.00 C ATOM 0 H ILE A 19 14.978 -0.242 4.028 1.00 0.00 H new ATOM 0 HA ILE A 19 14.877 0.032 1.296 1.00 0.00 H new ATOM 0 HB ILE A 19 15.701 -2.324 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.128 -2.282 4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.229 -3.199 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.717 -1.939 2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.246 -0.477 1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.889 -0.605 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.839 -4.624 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.258 -4.495 2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.172 -3.563 3.667 1.00 0.00 H new ATOM 262 N PRO A 20 13.093 -1.542 0.224 1.00 0.00 N ATOM 263 CA PRO A 20 11.881 -2.118 -0.373 1.00 0.00 C ATOM 264 C PRO A 20 11.368 -3.364 0.352 1.00 0.00 C ATOM 265 O PRO A 20 10.162 -3.571 0.464 1.00 0.00 O ATOM 266 CB PRO A 20 12.330 -2.478 -1.788 1.00 0.00 C ATOM 267 CG PRO A 20 13.401 -1.493 -2.101 1.00 0.00 C ATOM 268 CD PRO A 20 14.107 -1.219 -0.801 1.00 0.00 C ATOM 0 HA PRO A 20 11.047 -1.418 -0.324 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.704 -3.501 -1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.505 -2.406 -2.497 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.092 -1.891 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.980 -0.578 -2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 20 14.998 -1.837 -0.691 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.429 -0.180 -0.732 1.00 0.00 H new ATOM 276 N TRP A 21 12.279 -4.203 0.822 1.00 0.00 N ATOM 277 CA TRP A 21 11.890 -5.431 1.508 1.00 0.00 C ATOM 278 C TRP A 21 11.346 -5.166 2.910 1.00 0.00 C ATOM 279 O TRP A 21 10.600 -5.983 3.453 1.00 0.00 O ATOM 280 CB TRP A 21 13.063 -6.409 1.568 1.00 0.00 C ATOM 281 CG TRP A 21 13.568 -6.798 0.213 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.572 -6.199 -0.493 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.070 -7.854 -0.616 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.742 -6.832 -1.701 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.828 -7.849 -1.801 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.059 -8.808 -0.467 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.608 -8.761 -2.830 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.839 -9.712 -1.490 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.610 -9.683 -2.659 1.00 0.00 C ATOM 0 H TRP A 21 13.286 -4.060 0.743 1.00 0.00 H new ATOM 0 HA TRP A 21 11.083 -5.878 0.928 1.00 0.00 H new ATOM 0 HB2 TRP A 21 13.876 -5.959 2.138 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.755 -7.305 2.106 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.148 -5.352 -0.152 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.435 -6.585 -2.408 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.460 -8.838 0.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.203 -8.742 -3.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.060 -10.453 -1.386 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.414 -10.402 -3.441 1.00 0.00 H new ATOM 300 N THR A 22 11.718 -4.033 3.498 1.00 0.00 N ATOM 301 CA THR A 22 11.256 -3.690 4.840 1.00 0.00 C ATOM 302 C THR A 22 9.733 -3.646 4.898 1.00 0.00 C ATOM 303 O THR A 22 9.090 -2.982 4.088 1.00 0.00 O ATOM 304 CB THR A 22 11.814 -2.330 5.306 1.00 0.00 C ATOM 305 OG1 THR A 22 13.242 -2.395 5.402 1.00 0.00 O ATOM 306 CG2 THR A 22 11.232 -1.933 6.656 1.00 0.00 C ATOM 0 H THR A 22 12.333 -3.341 3.071 1.00 0.00 H new ATOM 0 HA THR A 22 11.625 -4.469 5.507 1.00 0.00 H new ATOM 0 HB THR A 22 11.529 -1.578 4.571 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.590 -1.528 5.697 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.643 -0.970 6.960 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.148 -1.856 6.576 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.489 -2.688 7.399 1.00 0.00 H new ATOM 314 N LYS A 23 9.165 -4.356 5.867 1.00 0.00 N ATOM 315 CA LYS A 23 7.718 -4.394 6.035 1.00 0.00 C ATOM 316 C LYS A 23 7.193 -3.028 6.456 1.00 0.00 C ATOM 317 O LYS A 23 7.703 -2.422 7.400 1.00 0.00 O ATOM 318 CB LYS A 23 7.332 -5.445 7.075 1.00 0.00 C ATOM 319 CG LYS A 23 7.747 -6.856 6.694 1.00 0.00 C ATOM 320 CD LYS A 23 7.423 -7.851 7.796 1.00 0.00 C ATOM 321 CE LYS A 23 7.867 -9.257 7.425 1.00 0.00 C ATOM 322 NZ LYS A 23 7.583 -10.235 8.512 1.00 0.00 N ATOM 0 H LYS A 23 9.684 -4.912 6.547 1.00 0.00 H new ATOM 0 HA LYS A 23 7.269 -4.661 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.790 -5.185 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.252 -5.420 7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.238 -7.150 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.817 -6.878 6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.914 -7.545 8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.350 -7.846 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.358 -9.570 6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.935 -9.255 7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.901 -11.181 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.089 -9.951 9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.561 -10.256 8.701 1.00 0.00 H new ATOM 336 N VAL A 24 6.172 -2.546 5.757 1.00 0.00 N ATOM 337 CA VAL A 24 5.583 -1.251 6.067 1.00 0.00 C ATOM 338 C VAL A 24 4.100 -1.389 6.394 1.00 0.00 C ATOM 339 O VAL A 24 3.326 -1.936 5.609 1.00 0.00 O ATOM 340 CB VAL A 24 5.767 -0.255 4.903 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.244 0.025 4.673 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.118 -0.781 3.630 1.00 0.00 C ATOM 0 H VAL A 24 5.736 -3.032 4.973 1.00 0.00 H new ATOM 0 HA VAL A 24 6.104 -0.862 6.942 1.00 0.00 H new ATOM 0 HB VAL A 24 5.274 0.679 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.357 0.729 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.678 0.452 5.577 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.757 -0.905 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.261 -0.061 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.576 -1.731 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.051 -0.928 3.799 1.00 0.00 H new ATOM 352 N THR A 25 3.711 -0.890 7.562 1.00 0.00 N ATOM 353 CA THR A 25 2.323 -0.957 7.995 1.00 0.00 C ATOM 354 C THR A 25 1.473 0.072 7.259 1.00 0.00 C ATOM 355 O THR A 25 1.684 1.277 7.395 1.00 0.00 O ATOM 356 CB THR A 25 2.197 -0.720 9.512 1.00 0.00 C ATOM 357 OG1 THR A 25 2.913 -1.734 10.227 1.00 0.00 O ATOM 358 CG2 THR A 25 0.739 -0.721 9.945 1.00 0.00 C ATOM 0 H THR A 25 4.338 -0.435 8.225 1.00 0.00 H new ATOM 0 HA THR A 25 1.963 -1.959 7.761 1.00 0.00 H new ATOM 0 HB THR A 25 2.624 0.257 9.740 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.830 -1.576 11.191 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.679 -0.552 11.020 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.204 0.072 9.422 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.288 -1.684 9.703 1.00 0.00 H new ATOM 366 N ILE A 26 0.506 -0.410 6.484 1.00 0.00 N ATOM 367 CA ILE A 26 -0.380 0.472 5.737 1.00 0.00 C ATOM 368 C ILE A 26 -1.519 0.966 6.622 1.00 0.00 C ATOM 369 O ILE A 26 -2.111 0.196 7.378 1.00 0.00 O ATOM 370 CB ILE A 26 -0.964 -0.227 4.492 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.165 -0.658 3.548 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.942 0.694 3.775 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.320 -1.347 2.290 1.00 0.00 C ATOM 0 H ILE A 26 0.317 -1.404 6.358 1.00 0.00 H new ATOM 0 HA ILE A 26 0.218 1.321 5.406 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.505 -1.117 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.748 0.220 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.837 -1.329 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.345 0.186 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.757 0.955 4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.425 1.601 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.535 -1.622 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.877 -2.245 2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.968 -0.671 1.732 1.00 0.00 H new ATOM 385 N ARG A 27 -1.820 2.255 6.522 1.00 0.00 N ATOM 386 CA ARG A 27 -2.888 2.854 7.312 1.00 0.00 C ATOM 387 C ARG A 27 -3.651 3.877 6.481 1.00 0.00 C ATOM 388 O ARG A 27 -3.051 4.710 5.802 1.00 0.00 O ATOM 389 CB ARG A 27 -2.313 3.520 8.566 1.00 0.00 C ATOM 390 CG ARG A 27 -3.370 4.086 9.501 1.00 0.00 C ATOM 391 CD ARG A 27 -4.235 2.987 10.100 1.00 0.00 C ATOM 392 NE ARG A 27 -5.236 3.518 11.021 1.00 0.00 N ATOM 393 CZ ARG A 27 -6.090 2.759 11.704 1.00 0.00 C ATOM 394 NH1 ARG A 27 -6.059 1.439 11.576 1.00 0.00 N ATOM 395 NH2 ARG A 27 -6.973 3.320 12.518 1.00 0.00 N ATOM 0 H ARG A 27 -1.339 2.906 5.901 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.576 2.066 7.617 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.713 2.791 9.110 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.641 4.323 8.264 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.886 4.646 10.301 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.000 4.789 8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.733 2.441 9.299 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.601 2.273 10.626 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.284 4.529 11.148 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.379 1.003 10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.715 0.860 12.101 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.999 4.334 12.622 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.627 2.737 13.041 1.00 0.00 H new ATOM 409 N GLY A 28 -4.975 3.807 6.535 1.00 0.00 N ATOM 410 CA GLY A 28 -5.795 4.731 5.776 1.00 0.00 C ATOM 411 C GLY A 28 -7.260 4.642 6.145 1.00 0.00 C ATOM 412 O GLY A 28 -7.606 4.612 7.326 1.00 0.00 O ATOM 0 H GLY A 28 -5.495 3.128 7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.442 5.748 5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.678 4.526 4.712 1.00 0.00 H new ATOM 416 N GLU A 29 -8.124 4.601 5.133 1.00 0.00 N ATOM 417 CA GLU A 29 -9.563 4.519 5.358 1.00 0.00 C ATOM 418 C GLU A 29 -10.261 3.781 4.218 1.00 0.00 C ATOM 419 O GLU A 29 -10.037 4.074 3.043 1.00 0.00 O ATOM 420 CB GLU A 29 -10.162 5.923 5.496 1.00 0.00 C ATOM 421 CG GLU A 29 -9.686 6.684 6.725 1.00 0.00 C ATOM 422 CD GLU A 29 -10.244 6.120 8.018 1.00 0.00 C ATOM 423 OE1 GLU A 29 -9.998 4.929 8.306 1.00 0.00 O ATOM 424 OE2 GLU A 29 -10.926 6.871 8.746 1.00 0.00 O ATOM 0 H GLU A 29 -7.852 4.623 4.150 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.721 3.962 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.914 6.501 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.248 5.841 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.597 6.659 6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.978 7.730 6.634 1.00 0.00 H new ATOM 431 N ASN A 30 -11.124 2.836 4.583 1.00 0.00 N ATOM 432 CA ASN A 30 -11.890 2.059 3.610 1.00 0.00 C ATOM 433 C ASN A 30 -10.996 1.282 2.640 1.00 0.00 C ATOM 434 O ASN A 30 -11.239 1.285 1.433 1.00 0.00 O ATOM 435 CB ASN A 30 -12.824 2.981 2.823 1.00 0.00 C ATOM 436 CG ASN A 30 -13.776 3.742 3.722 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.581 3.147 4.440 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.688 5.067 3.689 1.00 0.00 N ATOM 0 H ASN A 30 -11.312 2.588 5.554 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.471 1.328 4.173 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.229 3.689 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.397 2.390 2.109 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.302 5.634 4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.006 5.518 3.079 1.00 0.00 H new ATOM 445 N LEU A 31 -9.980 0.600 3.165 1.00 0.00 N ATOM 446 CA LEU A 31 -9.085 -0.195 2.321 1.00 0.00 C ATOM 447 C LEU A 31 -9.703 -1.557 2.012 1.00 0.00 C ATOM 448 O LEU A 31 -9.076 -2.597 2.221 1.00 0.00 O ATOM 449 CB LEU A 31 -7.713 -0.380 2.981 1.00 0.00 C ATOM 450 CG LEU A 31 -6.807 0.854 2.974 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.401 1.967 3.819 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.414 0.494 3.466 1.00 0.00 C ATOM 0 H LEU A 31 -9.756 0.580 4.160 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.944 0.350 1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.865 -0.692 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.193 -1.194 2.476 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.729 1.213 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.739 2.833 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.376 2.246 3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.515 1.622 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.783 1.383 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.476 0.106 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.983 -0.265 2.814 1.00 0.00 H new ATOM 464 N GLY A 32 -10.938 -1.545 1.518 1.00 0.00 N ATOM 465 CA GLY A 32 -11.627 -2.782 1.193 1.00 0.00 C ATOM 466 C GLY A 32 -12.095 -3.526 2.430 1.00 0.00 C ATOM 467 O GLY A 32 -11.307 -3.794 3.337 1.00 0.00 O ATOM 0 H GLY A 32 -11.476 -0.697 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.486 -2.561 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.962 -3.424 0.616 1.00 0.00 H new ATOM 471 N THR A 33 -13.384 -3.855 2.465 1.00 0.00 N ATOM 472 CA THR A 33 -13.964 -4.567 3.598 1.00 0.00 C ATOM 473 C THR A 33 -13.905 -6.079 3.400 1.00 0.00 C ATOM 474 O THR A 33 -14.866 -6.790 3.697 1.00 0.00 O ATOM 475 CB THR A 33 -15.429 -4.150 3.829 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.212 -4.442 2.665 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.527 -2.667 4.152 1.00 0.00 C ATOM 0 H THR A 33 -14.047 -3.639 1.720 1.00 0.00 H new ATOM 0 HA THR A 33 -13.370 -4.299 4.472 1.00 0.00 H new ATOM 0 HB THR A 33 -15.814 -4.716 4.677 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.142 -4.175 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.571 -2.397 4.311 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.956 -2.453 5.055 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.125 -2.086 3.322 1.00 0.00 H new ATOM 485 N GLY A 34 -12.776 -6.569 2.898 1.00 0.00 N ATOM 486 CA GLY A 34 -12.628 -7.996 2.675 1.00 0.00 C ATOM 487 C GLY A 34 -11.362 -8.344 1.912 1.00 0.00 C ATOM 488 O GLY A 34 -10.935 -7.584 1.041 1.00 0.00 O ATOM 0 H GLY A 34 -11.964 -6.007 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.621 -8.510 3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.493 -8.364 2.123 1.00 0.00 H new ATOM 492 N PRO A 35 -10.735 -9.498 2.212 1.00 0.00 N ATOM 493 CA PRO A 35 -9.510 -9.928 1.528 1.00 0.00 C ATOM 494 C PRO A 35 -9.713 -10.034 0.023 1.00 0.00 C ATOM 495 O PRO A 35 -8.896 -9.552 -0.763 1.00 0.00 O ATOM 496 CB PRO A 35 -9.224 -11.313 2.120 1.00 0.00 C ATOM 497 CG PRO A 35 -9.971 -11.352 3.409 1.00 0.00 C ATOM 498 CD PRO A 35 -11.174 -10.470 3.228 1.00 0.00 C ATOM 0 HA PRO A 35 -8.695 -9.219 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.557 -12.104 1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.156 -11.459 2.280 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.270 -12.371 3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.348 -10.996 4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.042 -11.038 2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.456 -9.978 4.159 1.00 0.00 H new ATOM 506 N THR A 36 -10.815 -10.664 -0.369 1.00 0.00 N ATOM 507 CA THR A 36 -11.144 -10.834 -1.777 1.00 0.00 C ATOM 508 C THR A 36 -11.338 -9.486 -2.461 1.00 0.00 C ATOM 509 O THR A 36 -10.979 -9.314 -3.626 1.00 0.00 O ATOM 510 CB THR A 36 -12.417 -11.683 -1.951 1.00 0.00 C ATOM 511 OG1 THR A 36 -12.811 -11.706 -3.329 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.554 -11.137 -1.097 1.00 0.00 C ATOM 0 H THR A 36 -11.498 -11.067 0.273 1.00 0.00 H new ATOM 0 HA THR A 36 -10.306 -11.352 -2.244 1.00 0.00 H new ATOM 0 HB THR A 36 -12.196 -12.699 -1.624 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.620 -12.250 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.442 -11.753 -1.237 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.261 -11.155 -0.047 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.773 -10.112 -1.395 1.00 0.00 H new ATOM 520 N ASP A 37 -11.910 -8.533 -1.730 1.00 0.00 N ATOM 521 CA ASP A 37 -12.154 -7.196 -2.261 1.00 0.00 C ATOM 522 C ASP A 37 -10.861 -6.565 -2.772 1.00 0.00 C ATOM 523 O ASP A 37 -10.866 -5.840 -3.767 1.00 0.00 O ATOM 524 CB ASP A 37 -12.781 -6.302 -1.190 1.00 0.00 C ATOM 525 CG ASP A 37 -14.104 -6.842 -0.686 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.119 -7.971 -0.151 1.00 0.00 O ATOM 527 OD2 ASP A 37 -15.126 -6.137 -0.825 1.00 0.00 O ATOM 0 H ASP A 37 -12.214 -8.663 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.847 -7.289 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.090 -6.204 -0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.932 -5.303 -1.598 1.00 0.00 H new ATOM 532 N LEU A 38 -9.760 -6.841 -2.078 1.00 0.00 N ATOM 533 CA LEU A 38 -8.454 -6.303 -2.452 1.00 0.00 C ATOM 534 C LEU A 38 -7.897 -7.046 -3.668 1.00 0.00 C ATOM 535 O LEU A 38 -6.840 -7.675 -3.594 1.00 0.00 O ATOM 536 CB LEU A 38 -7.480 -6.414 -1.273 1.00 0.00 C ATOM 537 CG LEU A 38 -6.394 -5.334 -1.201 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.481 -5.580 -0.010 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.580 -5.279 -2.485 1.00 0.00 C ATOM 0 H LEU A 38 -9.746 -7.437 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.574 -5.252 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.055 -6.387 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.994 -7.389 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.890 -4.371 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.715 -4.805 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.067 -5.556 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.005 -6.555 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.819 -4.503 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.099 -6.243 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.238 -5.052 -3.324 1.00 0.00 H new ATOM 551 N ILE A 39 -8.616 -6.978 -4.785 1.00 0.00 N ATOM 552 CA ILE A 39 -8.194 -7.647 -6.009 1.00 0.00 C ATOM 553 C ILE A 39 -6.951 -6.992 -6.602 1.00 0.00 C ATOM 554 O ILE A 39 -6.055 -7.676 -7.096 1.00 0.00 O ATOM 555 CB ILE A 39 -9.315 -7.653 -7.069 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.790 -6.224 -7.352 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.473 -8.527 -6.607 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.842 -6.134 -8.437 1.00 0.00 C ATOM 0 H ILE A 39 -9.494 -6.466 -4.866 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.960 -8.676 -5.735 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.920 -8.070 -7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.191 -5.796 -6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.932 -5.616 -7.639 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.257 -8.522 -7.364 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.121 -9.547 -6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.871 -8.138 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.128 -5.092 -8.581 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.439 -6.531 -9.369 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.717 -6.714 -8.144 1.00 0.00 H new ATOM 570 N GLY A 40 -6.907 -5.664 -6.559 1.00 0.00 N ATOM 571 CA GLY A 40 -5.772 -4.941 -7.103 1.00 0.00 C ATOM 572 C GLY A 40 -4.924 -4.281 -6.034 1.00 0.00 C ATOM 573 O GLY A 40 -5.449 -3.724 -5.070 1.00 0.00 O ATOM 0 H GLY A 40 -7.637 -5.076 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.152 -5.629 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.131 -4.180 -7.796 1.00 0.00 H new ATOM 577 N LEU A 41 -3.606 -4.338 -6.211 1.00 0.00 N ATOM 578 CA LEU A 41 -2.678 -3.738 -5.260 1.00 0.00 C ATOM 579 C LEU A 41 -1.430 -3.247 -5.987 1.00 0.00 C ATOM 580 O LEU A 41 -0.847 -3.970 -6.796 1.00 0.00 O ATOM 581 CB LEU A 41 -2.303 -4.758 -4.173 1.00 0.00 C ATOM 582 CG LEU A 41 -1.542 -4.206 -2.956 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.122 -3.806 -3.326 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.287 -3.024 -2.350 1.00 0.00 C ATOM 0 H LEU A 41 -3.158 -4.794 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.160 -2.885 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.218 -5.232 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.696 -5.539 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.483 -5.001 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.389 -3.420 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.414 -4.676 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.150 -3.035 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.733 -2.647 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.383 -2.234 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.279 -3.344 -2.031 1.00 0.00 H new ATOM 596 N THR A 42 -1.028 -2.012 -5.698 1.00 0.00 N ATOM 597 CA THR A 42 0.146 -1.420 -6.330 1.00 0.00 C ATOM 598 C THR A 42 0.829 -0.405 -5.420 1.00 0.00 C ATOM 599 O THR A 42 0.173 0.375 -4.731 1.00 0.00 O ATOM 600 CB THR A 42 -0.212 -0.716 -7.655 1.00 0.00 C ATOM 601 OG1 THR A 42 -1.324 0.164 -7.459 1.00 0.00 O ATOM 602 CG2 THR A 42 -0.536 -1.721 -8.749 1.00 0.00 C ATOM 0 H THR A 42 -1.499 -1.402 -5.030 1.00 0.00 H new ATOM 0 HA THR A 42 0.827 -2.248 -6.528 1.00 0.00 H new ATOM 0 HB THR A 42 0.657 -0.140 -7.972 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.543 0.608 -8.305 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.784 -1.191 -9.669 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.328 -2.362 -8.922 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.385 -2.332 -8.442 1.00 0.00 H new ATOM 610 N ILE A 43 2.156 -0.417 -5.450 1.00 0.00 N ATOM 611 CA ILE A 43 2.961 0.502 -4.658 1.00 0.00 C ATOM 612 C ILE A 43 4.112 1.030 -5.503 1.00 0.00 C ATOM 613 O ILE A 43 4.870 0.254 -6.086 1.00 0.00 O ATOM 614 CB ILE A 43 3.527 -0.178 -3.394 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.384 -0.627 -2.477 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.471 0.764 -2.659 1.00 0.00 C ATOM 617 CD1 ILE A 43 2.851 -1.367 -1.242 1.00 0.00 C ATOM 0 H ILE A 43 2.702 -1.062 -6.022 1.00 0.00 H new ATOM 0 HA ILE A 43 2.316 1.322 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 43 4.094 -1.059 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.811 0.248 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.708 -1.270 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.861 0.268 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.298 1.035 -3.315 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.931 1.664 -2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.988 -1.653 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.399 -2.261 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.503 -0.720 -0.655 1.00 0.00 H new ATOM 629 N CYS A 44 4.226 2.353 -5.583 1.00 0.00 N ATOM 630 CA CYS A 44 5.273 2.981 -6.378 1.00 0.00 C ATOM 631 C CYS A 44 5.165 2.535 -7.834 1.00 0.00 C ATOM 632 O CYS A 44 6.171 2.317 -8.510 1.00 0.00 O ATOM 633 CB CYS A 44 6.653 2.630 -5.818 1.00 0.00 C ATOM 634 SG CYS A 44 6.895 3.120 -4.095 1.00 0.00 S ATOM 0 H CYS A 44 3.606 3.009 -5.107 1.00 0.00 H new ATOM 0 HA CYS A 44 5.145 4.062 -6.330 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.805 1.554 -5.904 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.415 3.110 -6.432 1.00 0.00 H new ATOM 0 HG CYS A 44 5.755 3.091 -3.471 1.00 0.00 H new ATOM 640 N GLY A 45 3.927 2.401 -8.304 1.00 0.00 N ATOM 641 CA GLY A 45 3.679 1.980 -9.672 1.00 0.00 C ATOM 642 C GLY A 45 4.129 0.557 -9.944 1.00 0.00 C ATOM 643 O GLY A 45 4.411 0.199 -11.087 1.00 0.00 O ATOM 0 H GLY A 45 3.085 2.578 -7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.614 2.066 -9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.196 2.655 -10.354 1.00 0.00 H new ATOM 647 N HIS A 46 4.180 -0.259 -8.895 1.00 0.00 N ATOM 648 CA HIS A 46 4.582 -1.656 -9.034 1.00 0.00 C ATOM 649 C HIS A 46 3.596 -2.571 -8.312 1.00 0.00 C ATOM 650 O HIS A 46 3.337 -2.396 -7.123 1.00 0.00 O ATOM 651 CB HIS A 46 5.992 -1.864 -8.476 1.00 0.00 C ATOM 652 CG HIS A 46 6.505 -3.259 -8.656 1.00 0.00 C ATOM 653 ND1 HIS A 46 6.693 -3.837 -9.894 1.00 0.00 N ATOM 654 CD2 HIS A 46 6.870 -4.196 -7.747 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.150 -5.067 -9.740 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.267 -5.308 -8.447 1.00 0.00 N ATOM 0 H HIS A 46 3.949 0.021 -7.942 1.00 0.00 H new ATOM 0 HA HIS A 46 4.582 -1.908 -10.095 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.674 -1.168 -8.965 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.994 -1.619 -7.414 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.852 -4.088 -6.673 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.387 -5.757 -10.536 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.599 -6.180 -8.035 1.00 0.00 H new ATOM 665 N ASN A 47 3.050 -3.548 -9.029 1.00 0.00 N ATOM 666 CA ASN A 47 2.096 -4.478 -8.434 1.00 0.00 C ATOM 667 C ASN A 47 2.757 -5.289 -7.323 1.00 0.00 C ATOM 668 O ASN A 47 3.895 -5.735 -7.461 1.00 0.00 O ATOM 669 CB ASN A 47 1.523 -5.420 -9.495 1.00 0.00 C ATOM 670 CG ASN A 47 2.553 -6.400 -10.022 1.00 0.00 C ATOM 671 OD1 ASN A 47 3.569 -6.006 -10.596 1.00 0.00 O ATOM 672 ND2 ASN A 47 2.295 -7.688 -9.824 1.00 0.00 N ATOM 0 H ASN A 47 3.249 -3.716 -10.015 1.00 0.00 H new ATOM 0 HA ASN A 47 1.280 -3.895 -8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.685 -5.973 -9.070 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.130 -4.831 -10.324 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.952 -8.396 -10.153 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.440 -7.969 -9.343 1.00 0.00 H new ATOM 679 N CYS A 48 2.036 -5.474 -6.222 1.00 0.00 N ATOM 680 CA CYS A 48 2.552 -6.232 -5.087 1.00 0.00 C ATOM 681 C CYS A 48 1.418 -6.941 -4.352 1.00 0.00 C ATOM 682 O CYS A 48 1.406 -7.010 -3.124 1.00 0.00 O ATOM 683 CB CYS A 48 3.297 -5.306 -4.122 1.00 0.00 C ATOM 684 SG CYS A 48 4.729 -4.473 -4.848 1.00 0.00 S ATOM 0 H CYS A 48 1.092 -5.109 -6.091 1.00 0.00 H new ATOM 0 HA CYS A 48 3.246 -6.982 -5.467 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.602 -4.552 -3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.627 -5.887 -3.261 1.00 0.00 H new ATOM 0 HG CYS A 48 4.896 -4.883 -6.070 1.00 0.00 H new ATOM 690 N LEU A 49 0.469 -7.466 -5.119 1.00 0.00 N ATOM 691 CA LEU A 49 -0.677 -8.172 -4.554 1.00 0.00 C ATOM 692 C LEU A 49 -0.258 -9.506 -3.940 1.00 0.00 C ATOM 693 O LEU A 49 -0.698 -9.858 -2.846 1.00 0.00 O ATOM 694 CB LEU A 49 -1.733 -8.407 -5.636 1.00 0.00 C ATOM 695 CG LEU A 49 -2.960 -9.203 -5.188 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.768 -8.415 -4.167 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.819 -9.572 -6.387 1.00 0.00 C ATOM 0 H LEU A 49 0.470 -7.416 -6.138 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.099 -7.551 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.065 -7.440 -6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.265 -8.930 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.620 -10.123 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.636 -8.999 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.147 -8.204 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.100 -7.477 -4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.688 -10.138 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.150 -8.664 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.236 -10.179 -7.079 1.00 0.00 H new ATOM 709 N LEU A 50 0.582 -10.246 -4.660 1.00 0.00 N ATOM 710 CA LEU A 50 1.051 -11.549 -4.197 1.00 0.00 C ATOM 711 C LEU A 50 1.593 -11.469 -2.770 1.00 0.00 C ATOM 712 O LEU A 50 1.298 -12.327 -1.938 1.00 0.00 O ATOM 713 CB LEU A 50 2.129 -12.109 -5.137 1.00 0.00 C ATOM 714 CG LEU A 50 3.461 -11.345 -5.169 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.517 -12.157 -5.903 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.296 -9.983 -5.830 1.00 0.00 C ATOM 0 H LEU A 50 0.952 -9.965 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 50 0.195 -12.224 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.332 -13.141 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.723 -12.134 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 50 3.784 -11.188 -4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.456 -11.604 -5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.665 -13.108 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.188 -12.342 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.255 -9.464 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.946 -10.115 -6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.569 -9.393 -5.271 1.00 0.00 H new ATOM 728 N THR A 51 2.382 -10.437 -2.494 1.00 0.00 N ATOM 729 CA THR A 51 2.960 -10.248 -1.169 1.00 0.00 C ATOM 730 C THR A 51 1.954 -9.612 -0.216 1.00 0.00 C ATOM 731 O THR A 51 1.903 -9.951 0.966 1.00 0.00 O ATOM 732 CB THR A 51 4.220 -9.366 -1.227 1.00 0.00 C ATOM 733 OG1 THR A 51 3.895 -8.079 -1.764 1.00 0.00 O ATOM 734 CG2 THR A 51 5.299 -10.016 -2.079 1.00 0.00 C ATOM 0 H THR A 51 2.636 -9.718 -3.171 1.00 0.00 H new ATOM 0 HA THR A 51 3.233 -11.237 -0.800 1.00 0.00 H new ATOM 0 HB THR A 51 4.600 -9.251 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.661 -7.469 -1.033 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.179 -9.373 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.567 -10.982 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.925 -10.159 -3.093 1.00 0.00 H new ATOM 742 N ALA A 52 1.162 -8.682 -0.741 1.00 0.00 N ATOM 743 CA ALA A 52 0.160 -7.984 0.057 1.00 0.00 C ATOM 744 C ALA A 52 -0.864 -8.947 0.644 1.00 0.00 C ATOM 745 O ALA A 52 -1.436 -9.774 -0.066 1.00 0.00 O ATOM 746 CB ALA A 52 -0.540 -6.927 -0.786 1.00 0.00 C ATOM 0 H ALA A 52 1.195 -8.394 -1.719 1.00 0.00 H new ATOM 0 HA ALA A 52 0.676 -7.501 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.286 -6.413 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.193 -6.206 -1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.029 -7.404 -1.635 1.00 0.00 H new ATOM 752 N GLU A 53 -1.098 -8.821 1.947 1.00 0.00 N ATOM 753 CA GLU A 53 -2.061 -9.665 2.641 1.00 0.00 C ATOM 754 C GLU A 53 -3.065 -8.811 3.408 1.00 0.00 C ATOM 755 O GLU A 53 -2.680 -7.920 4.167 1.00 0.00 O ATOM 756 CB GLU A 53 -1.343 -10.619 3.600 1.00 0.00 C ATOM 757 CG GLU A 53 -2.284 -11.486 4.425 1.00 0.00 C ATOM 758 CD GLU A 53 -3.086 -12.461 3.581 1.00 0.00 C ATOM 759 OE1 GLU A 53 -2.869 -12.506 2.351 1.00 0.00 O ATOM 760 OE2 GLU A 53 -3.928 -13.185 4.153 1.00 0.00 O ATOM 0 H GLU A 53 -0.631 -8.139 2.544 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.598 -10.254 1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.679 -11.265 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.716 -10.037 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.704 -12.043 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.969 -10.844 4.978 1.00 0.00 H new ATOM 767 N TRP A 54 -4.348 -9.086 3.209 1.00 0.00 N ATOM 768 CA TRP A 54 -5.400 -8.339 3.887 1.00 0.00 C ATOM 769 C TRP A 54 -5.334 -8.566 5.395 1.00 0.00 C ATOM 770 O TRP A 54 -4.981 -9.653 5.851 1.00 0.00 O ATOM 771 CB TRP A 54 -6.777 -8.751 3.367 1.00 0.00 C ATOM 772 CG TRP A 54 -7.882 -7.877 3.874 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.329 -6.714 3.317 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.663 -8.080 5.057 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.351 -6.192 4.070 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.572 -7.010 5.146 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.683 -9.066 6.048 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.493 -6.900 6.186 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.595 -8.955 7.079 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.489 -7.879 7.142 1.00 0.00 C ATOM 0 H TRP A 54 -4.685 -9.819 2.585 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.245 -7.280 3.679 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.771 -8.723 2.277 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.975 -9.783 3.658 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.936 -6.269 2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.863 -5.334 3.862 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.997 -9.900 6.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.185 -6.072 6.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.619 -9.711 7.850 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.190 -7.821 7.962 1.00 0.00 H new ATOM 791 N MET A 55 -5.675 -7.535 6.162 1.00 0.00 N ATOM 792 CA MET A 55 -5.652 -7.627 7.617 1.00 0.00 C ATOM 793 C MET A 55 -6.851 -6.908 8.227 1.00 0.00 C ATOM 794 O MET A 55 -7.514 -7.435 9.121 1.00 0.00 O ATOM 795 CB MET A 55 -4.359 -7.021 8.167 1.00 0.00 C ATOM 796 CG MET A 55 -3.096 -7.687 7.641 1.00 0.00 C ATOM 797 SD MET A 55 -2.969 -9.420 8.124 1.00 0.00 S ATOM 798 CE MET A 55 -2.900 -9.272 9.908 1.00 0.00 C ATOM 0 H MET A 55 -5.970 -6.628 5.801 1.00 0.00 H new ATOM 0 HA MET A 55 -5.701 -8.682 7.887 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.331 -5.961 7.917 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.370 -7.091 9.255 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.078 -7.615 6.554 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.225 -7.146 8.010 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.473 -10.181 10.332 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.278 -8.419 10.179 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.906 -9.126 10.300 1.00 0.00 H new ATOM 808 N SER A 56 -7.122 -5.701 7.736 1.00 0.00 N ATOM 809 CA SER A 56 -8.236 -4.898 8.229 1.00 0.00 C ATOM 810 C SER A 56 -8.557 -3.769 7.256 1.00 0.00 C ATOM 811 O SER A 56 -7.723 -3.401 6.427 1.00 0.00 O ATOM 812 CB SER A 56 -7.909 -4.314 9.607 1.00 0.00 C ATOM 813 OG SER A 56 -7.688 -5.336 10.562 1.00 0.00 O ATOM 0 H SER A 56 -6.582 -5.257 6.994 1.00 0.00 H new ATOM 0 HA SER A 56 -9.107 -5.547 8.316 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.023 -3.683 9.536 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.729 -3.676 9.937 1.00 0.00 H new ATOM 0 HG SER A 56 -7.966 -6.198 10.188 1.00 0.00 H new ATOM 819 N ALA A 57 -9.767 -3.223 7.359 1.00 0.00 N ATOM 820 CA ALA A 57 -10.190 -2.132 6.485 1.00 0.00 C ATOM 821 C ALA A 57 -9.505 -0.819 6.861 1.00 0.00 C ATOM 822 O ALA A 57 -10.039 0.263 6.619 1.00 0.00 O ATOM 823 CB ALA A 57 -11.703 -1.974 6.536 1.00 0.00 C ATOM 0 H ALA A 57 -10.470 -3.517 8.037 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.893 -2.383 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.006 -1.158 5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.177 -2.899 6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.011 -1.752 7.558 1.00 0.00 H new ATOM 829 N SER A 58 -8.312 -0.929 7.442 1.00 0.00 N ATOM 830 CA SER A 58 -7.526 0.231 7.847 1.00 0.00 C ATOM 831 C SER A 58 -6.108 -0.203 8.201 1.00 0.00 C ATOM 832 O SER A 58 -5.381 0.509 8.893 1.00 0.00 O ATOM 833 CB SER A 58 -8.166 0.930 9.051 1.00 0.00 C ATOM 834 OG SER A 58 -9.441 1.456 8.729 1.00 0.00 O ATOM 0 H SER A 58 -7.865 -1.823 7.644 1.00 0.00 H new ATOM 0 HA SER A 58 -7.496 0.933 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.261 0.223 9.875 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.515 1.735 9.394 1.00 0.00 H new ATOM 0 HG SER A 58 -9.587 1.392 7.762 1.00 0.00 H new ATOM 840 N LYS A 59 -5.725 -1.381 7.718 1.00 0.00 N ATOM 841 CA LYS A 59 -4.397 -1.927 7.973 1.00 0.00 C ATOM 842 C LYS A 59 -4.103 -3.082 7.023 1.00 0.00 C ATOM 843 O LYS A 59 -4.916 -3.994 6.874 1.00 0.00 O ATOM 844 CB LYS A 59 -4.293 -2.407 9.423 1.00 0.00 C ATOM 845 CG LYS A 59 -2.928 -2.973 9.783 1.00 0.00 C ATOM 846 CD LYS A 59 -2.913 -3.523 11.199 1.00 0.00 C ATOM 847 CE LYS A 59 -1.552 -4.101 11.557 1.00 0.00 C ATOM 848 NZ LYS A 59 -0.479 -3.073 11.486 1.00 0.00 N ATOM 0 H LYS A 59 -6.320 -1.979 7.144 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.663 -1.139 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.518 -1.574 10.089 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.051 -3.170 9.599 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.663 -3.764 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.172 -2.194 9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.169 -2.730 11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.675 -4.296 11.299 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.588 -4.520 12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.315 -4.921 10.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.121 -3.254 10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.908 -2.129 11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.101 -3.116 12.348 1.00 0.00 H new ATOM 862 N ILE A 60 -2.936 -3.042 6.386 1.00 0.00 N ATOM 863 CA ILE A 60 -2.538 -4.092 5.452 1.00 0.00 C ATOM 864 C ILE A 60 -1.023 -4.275 5.450 1.00 0.00 C ATOM 865 O ILE A 60 -0.279 -3.352 5.118 1.00 0.00 O ATOM 866 CB ILE A 60 -2.996 -3.773 4.011 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.516 -3.594 3.950 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.549 -4.874 3.057 1.00 0.00 C ATOM 869 CD1 ILE A 60 -5.029 -3.210 2.578 1.00 0.00 C ATOM 0 H ILE A 60 -2.250 -2.295 6.499 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.021 -5.010 5.787 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.531 -2.836 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.995 -4.523 4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.812 -2.828 4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.879 -4.635 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.462 -4.952 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.986 -5.823 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.113 -3.101 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.579 -2.266 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.765 -3.987 1.860 1.00 0.00 H new ATOM 881 N VAL A 61 -0.573 -5.473 5.811 1.00 0.00 N ATOM 882 CA VAL A 61 0.854 -5.776 5.835 1.00 0.00 C ATOM 883 C VAL A 61 1.332 -6.213 4.454 1.00 0.00 C ATOM 884 O VAL A 61 0.679 -7.017 3.788 1.00 0.00 O ATOM 885 CB VAL A 61 1.186 -6.875 6.867 1.00 0.00 C ATOM 886 CG1 VAL A 61 0.446 -8.162 6.542 1.00 0.00 C ATOM 887 CG2 VAL A 61 2.689 -7.116 6.929 1.00 0.00 C ATOM 0 H VAL A 61 -1.174 -6.248 6.090 1.00 0.00 H new ATOM 0 HA VAL A 61 1.373 -4.863 6.127 1.00 0.00 H new ATOM 0 HB VAL A 61 0.854 -6.533 7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.695 -8.922 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.628 -7.978 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.739 -8.510 5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.903 -7.894 7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.048 -7.432 5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.194 -6.195 7.220 1.00 0.00 H new ATOM 897 N CYS A 62 2.468 -5.673 4.024 1.00 0.00 N ATOM 898 CA CYS A 62 3.023 -6.005 2.716 1.00 0.00 C ATOM 899 C CYS A 62 4.428 -5.442 2.553 1.00 0.00 C ATOM 900 O CYS A 62 4.775 -4.428 3.161 1.00 0.00 O ATOM 901 CB CYS A 62 2.121 -5.465 1.603 1.00 0.00 C ATOM 902 SG CYS A 62 2.734 -5.793 -0.067 1.00 0.00 S ATOM 0 H CYS A 62 3.021 -5.005 4.561 1.00 0.00 H new ATOM 0 HA CYS A 62 3.076 -7.091 2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.129 -5.905 1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.007 -4.389 1.732 1.00 0.00 H new ATOM 0 HG CYS A 62 3.919 -5.277 -0.203 1.00 0.00 H new ATOM 908 N ARG A 63 5.227 -6.097 1.719 1.00 0.00 N ATOM 909 CA ARG A 63 6.590 -5.653 1.465 1.00 0.00 C ATOM 910 C ARG A 63 6.594 -4.569 0.394 1.00 0.00 C ATOM 911 O ARG A 63 5.900 -4.680 -0.618 1.00 0.00 O ATOM 912 CB ARG A 63 7.470 -6.830 1.039 1.00 0.00 C ATOM 913 CG ARG A 63 7.588 -7.910 2.102 1.00 0.00 C ATOM 914 CD ARG A 63 8.541 -9.016 1.678 1.00 0.00 C ATOM 915 NE ARG A 63 8.080 -9.714 0.480 1.00 0.00 N ATOM 916 CZ ARG A 63 8.725 -10.742 -0.067 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.848 -11.189 0.476 1.00 0.00 N ATOM 918 NH2 ARG A 63 8.244 -11.325 -1.158 1.00 0.00 N ATOM 0 H ARG A 63 4.954 -6.937 1.208 1.00 0.00 H new ATOM 0 HA ARG A 63 6.999 -5.239 2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.061 -7.269 0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.466 -6.460 0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.938 -7.466 3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.604 -8.334 2.300 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.527 -8.591 1.492 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.650 -9.731 2.493 1.00 0.00 H new ATOM 0 HE ARG A 63 7.217 -9.396 0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.220 -10.745 1.315 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.340 -11.977 0.055 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.379 -10.985 -1.579 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.739 -12.113 -1.576 1.00 0.00 H new ATOM 932 N VAL A 64 7.358 -3.510 0.637 1.00 0.00 N ATOM 933 CA VAL A 64 7.432 -2.387 -0.291 1.00 0.00 C ATOM 934 C VAL A 64 7.860 -2.836 -1.683 1.00 0.00 C ATOM 935 O VAL A 64 8.796 -3.621 -1.832 1.00 0.00 O ATOM 936 CB VAL A 64 8.421 -1.312 0.190 1.00 0.00 C ATOM 937 CG1 VAL A 64 8.028 0.053 -0.347 1.00 0.00 C ATOM 938 CG2 VAL A 64 8.528 -1.302 1.707 1.00 0.00 C ATOM 0 H VAL A 64 7.936 -3.405 1.471 1.00 0.00 H new ATOM 0 HA VAL A 64 6.427 -1.966 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 64 9.408 -1.557 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.739 0.801 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.033 0.031 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.029 0.309 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.234 -0.532 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.550 -1.092 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.877 -2.275 2.054 1.00 0.00 H new ATOM 948 N GLY A 65 7.178 -2.317 -2.697 1.00 0.00 N ATOM 949 CA GLY A 65 7.509 -2.656 -4.068 1.00 0.00 C ATOM 950 C GLY A 65 8.844 -2.073 -4.489 1.00 0.00 C ATOM 951 O GLY A 65 9.896 -2.503 -4.011 1.00 0.00 O ATOM 0 H GLY A 65 6.400 -1.666 -2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.536 -3.740 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.727 -2.288 -4.732 1.00 0.00 H new ATOM 955 N GLN A 66 8.799 -1.090 -5.380 1.00 0.00 N ATOM 956 CA GLN A 66 10.006 -0.435 -5.868 1.00 0.00 C ATOM 957 C GLN A 66 9.654 0.859 -6.596 1.00 0.00 C ATOM 958 O GLN A 66 8.670 0.915 -7.331 1.00 0.00 O ATOM 959 CB GLN A 66 10.785 -1.369 -6.796 1.00 0.00 C ATOM 960 CG GLN A 66 9.970 -1.877 -7.973 1.00 0.00 C ATOM 961 CD GLN A 66 10.759 -2.812 -8.868 1.00 0.00 C ATOM 962 OE1 GLN A 66 11.241 -3.854 -8.423 1.00 0.00 O ATOM 963 NE2 GLN A 66 10.893 -2.444 -10.136 1.00 0.00 N ATOM 0 H GLN A 66 7.934 -0.727 -5.781 1.00 0.00 H new ATOM 0 HA GLN A 66 10.635 -0.193 -5.011 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.663 -0.844 -7.173 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.146 -2.221 -6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.086 -2.395 -7.601 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.619 -1.029 -8.560 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.476 -1.571 -10.461 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.413 -3.034 -10.786 1.00 0.00 H new ATOM 972 N ALA A 67 10.455 1.897 -6.368 1.00 0.00 N ATOM 973 CA ALA A 67 10.228 3.203 -6.984 1.00 0.00 C ATOM 974 C ALA A 67 10.301 3.138 -8.508 1.00 0.00 C ATOM 975 O ALA A 67 11.303 3.527 -9.108 1.00 0.00 O ATOM 976 CB ALA A 67 11.235 4.213 -6.452 1.00 0.00 C ATOM 0 H ALA A 67 11.271 1.859 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 67 9.220 3.521 -6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.058 5.183 -6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.124 4.303 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.245 3.878 -6.686 1.00 0.00 H new ATOM 982 N LYS A 68 9.231 2.650 -9.128 1.00 0.00 N ATOM 983 CA LYS A 68 9.172 2.543 -10.582 1.00 0.00 C ATOM 984 C LYS A 68 9.158 3.925 -11.225 1.00 0.00 C ATOM 985 O LYS A 68 9.946 4.208 -12.128 1.00 0.00 O ATOM 986 CB LYS A 68 7.927 1.756 -11.004 1.00 0.00 C ATOM 987 CG LYS A 68 7.728 1.679 -12.512 1.00 0.00 C ATOM 988 CD LYS A 68 8.873 0.948 -13.197 1.00 0.00 C ATOM 989 CE LYS A 68 8.667 0.881 -14.702 1.00 0.00 C ATOM 990 NZ LYS A 68 7.400 0.186 -15.060 1.00 0.00 N ATOM 0 H LYS A 68 8.393 2.323 -8.647 1.00 0.00 H new ATOM 0 HA LYS A 68 10.061 2.012 -10.923 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.996 0.744 -10.604 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.048 2.217 -10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.790 1.169 -12.729 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.645 2.687 -12.919 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.813 1.455 -12.979 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.955 -0.062 -12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.655 1.891 -15.112 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.508 0.361 -15.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.415 -0.064 -16.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.305 -0.679 -14.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.594 0.815 -14.871 1.00 0.00 H new ATOM 1004 N ASN A 69 8.259 4.783 -10.753 1.00 0.00 N ATOM 1005 CA ASN A 69 8.143 6.138 -11.280 1.00 0.00 C ATOM 1006 C ASN A 69 9.245 7.032 -10.724 1.00 0.00 C ATOM 1007 O ASN A 69 10.178 7.398 -11.441 1.00 0.00 O ATOM 1008 CB ASN A 69 6.772 6.724 -10.940 1.00 0.00 C ATOM 1009 CG ASN A 69 5.634 5.893 -11.501 1.00 0.00 C ATOM 1010 OD1 ASN A 69 5.526 5.706 -12.712 1.00 0.00 O ATOM 1011 ND2 ASN A 69 4.780 5.390 -10.619 1.00 0.00 N ATOM 0 H ASN A 69 7.600 4.564 -10.006 1.00 0.00 H new ATOM 0 HA ASN A 69 8.250 6.091 -12.364 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.668 6.794 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.706 7.739 -11.333 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.994 4.822 -10.936 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.909 5.571 -9.624 1.00 0.00 H new ATOM 1018 N ASP A 70 9.136 7.374 -9.439 1.00 0.00 N ATOM 1019 CA ASP A 70 10.127 8.222 -8.779 1.00 0.00 C ATOM 1020 C ASP A 70 9.740 8.492 -7.325 1.00 0.00 C ATOM 1021 O ASP A 70 10.569 8.371 -6.422 1.00 0.00 O ATOM 1022 CB ASP A 70 10.283 9.550 -9.529 1.00 0.00 C ATOM 1023 CG ASP A 70 11.358 10.436 -8.927 1.00 0.00 C ATOM 1024 OD1 ASP A 70 11.220 10.823 -7.747 1.00 0.00 O ATOM 1025 OD2 ASP A 70 12.338 10.744 -9.637 1.00 0.00 O ATOM 0 H ASP A 70 8.370 7.076 -8.835 1.00 0.00 H new ATOM 0 HA ASP A 70 11.079 7.691 -8.791 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.526 9.348 -10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.332 10.082 -9.521 1.00 0.00 H new ATOM 1030 N LYS A 71 8.479 8.860 -7.104 1.00 0.00 N ATOM 1031 CA LYS A 71 7.993 9.149 -5.758 1.00 0.00 C ATOM 1032 C LYS A 71 7.712 7.854 -4.991 1.00 0.00 C ATOM 1033 O LYS A 71 8.603 7.020 -4.830 1.00 0.00 O ATOM 1034 CB LYS A 71 6.742 10.041 -5.807 1.00 0.00 C ATOM 1035 CG LYS A 71 6.998 11.452 -6.328 1.00 0.00 C ATOM 1036 CD LYS A 71 7.362 11.471 -7.806 1.00 0.00 C ATOM 1037 CE LYS A 71 6.242 10.908 -8.668 1.00 0.00 C ATOM 1038 NZ LYS A 71 4.990 11.704 -8.539 1.00 0.00 N ATOM 0 H LYS A 71 7.778 8.965 -7.838 1.00 0.00 H new ATOM 0 HA LYS A 71 8.773 9.693 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.994 9.563 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.318 10.107 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.109 12.062 -6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.804 11.907 -5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.580 12.494 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.271 10.890 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.558 10.895 -9.711 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.047 9.875 -8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.320 11.420 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.564 11.533 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.210 12.716 -8.639 1.00 0.00 H new ATOM 1052 N GLY A 72 6.477 7.685 -4.514 1.00 0.00 N ATOM 1053 CA GLY A 72 6.129 6.487 -3.772 1.00 0.00 C ATOM 1054 C GLY A 72 4.694 6.496 -3.280 1.00 0.00 C ATOM 1055 O GLY A 72 4.418 6.087 -2.151 1.00 0.00 O ATOM 0 H GLY A 72 5.717 8.355 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.285 5.614 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.800 6.386 -2.919 1.00 0.00 H new ATOM 1059 N ASP A 73 3.780 6.963 -4.123 1.00 0.00 N ATOM 1060 CA ASP A 73 2.367 7.023 -3.761 1.00 0.00 C ATOM 1061 C ASP A 73 1.785 5.624 -3.583 1.00 0.00 C ATOM 1062 O ASP A 73 1.953 4.759 -4.443 1.00 0.00 O ATOM 1063 CB ASP A 73 1.578 7.781 -4.831 1.00 0.00 C ATOM 1064 CG ASP A 73 2.060 9.208 -5.007 1.00 0.00 C ATOM 1065 OD1 ASP A 73 1.998 9.981 -4.028 1.00 0.00 O ATOM 1066 OD2 ASP A 73 2.500 9.552 -6.125 1.00 0.00 O ATOM 0 H ASP A 73 3.991 7.305 -5.060 1.00 0.00 H new ATOM 0 HA ASP A 73 2.286 7.552 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.661 7.253 -5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.522 7.788 -4.562 1.00 0.00 H new ATOM 1071 N ILE A 74 1.093 5.411 -2.467 1.00 0.00 N ATOM 1072 CA ILE A 74 0.476 4.119 -2.184 1.00 0.00 C ATOM 1073 C ILE A 74 -0.896 4.030 -2.845 1.00 0.00 C ATOM 1074 O ILE A 74 -1.708 4.949 -2.734 1.00 0.00 O ATOM 1075 CB ILE A 74 0.331 3.883 -0.665 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.702 3.956 0.016 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.333 2.537 -0.394 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.647 3.806 1.523 1.00 0.00 C ATOM 0 H ILE A 74 0.946 6.116 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 74 1.129 3.348 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.304 4.666 -0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.343 3.175 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.168 4.911 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.427 2.388 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.323 2.521 -0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.276 1.739 -0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.655 3.868 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.034 4.602 1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.212 2.839 1.777 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.147 2.926 -3.544 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.418 2.733 -4.231 1.00 0.00 C ATOM 1092 C ILE A 75 -3.059 1.402 -3.852 1.00 0.00 C ATOM 1093 O ILE A 75 -2.375 0.384 -3.731 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.240 2.781 -5.763 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.500 4.057 -6.183 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.591 2.690 -6.461 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.223 5.337 -5.816 1.00 0.00 C ATOM 0 H ILE A 75 -0.488 2.154 -3.649 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.070 3.548 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.639 1.923 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.514 4.063 -5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.344 4.036 -7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.446 2.725 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.078 1.753 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.217 3.527 -6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.636 6.194 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.198 5.356 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.355 5.383 -4.735 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.378 1.413 -3.675 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.115 0.206 -3.320 1.00 0.00 C ATOM 1111 C VAL A 76 -6.436 0.140 -4.080 1.00 0.00 C ATOM 1112 O VAL A 76 -7.275 1.033 -3.961 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.410 0.141 -1.807 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -6.148 -1.142 -1.459 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -4.127 0.258 -1.000 1.00 0.00 C ATOM 0 H VAL A 76 -4.958 2.247 -3.772 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.486 -0.641 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.050 0.985 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.346 -1.168 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.091 -1.178 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.536 -2.000 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.360 0.210 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.456 -0.560 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.643 1.209 -1.222 1.00 0.00 H new ATOM 1125 N THR A 77 -6.614 -0.922 -4.857 1.00 0.00 N ATOM 1126 CA THR A 77 -7.834 -1.104 -5.633 1.00 0.00 C ATOM 1127 C THR A 77 -8.841 -1.958 -4.868 1.00 0.00 C ATOM 1128 O THR A 77 -8.464 -2.907 -4.180 1.00 0.00 O ATOM 1129 CB THR A 77 -7.544 -1.761 -6.996 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.534 -1.020 -7.691 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.804 -1.820 -7.847 1.00 0.00 C ATOM 0 H THR A 77 -5.929 -1.670 -4.966 1.00 0.00 H new ATOM 0 HA THR A 77 -8.255 -0.113 -5.805 1.00 0.00 H new ATOM 0 HB THR A 77 -7.194 -2.778 -6.817 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.354 -1.444 -8.556 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.575 -2.288 -8.804 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.565 -2.405 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.176 -0.810 -8.017 1.00 0.00 H new ATOM 1139 N THR A 78 -10.118 -1.616 -4.990 1.00 0.00 N ATOM 1140 CA THR A 78 -11.175 -2.354 -4.307 1.00 0.00 C ATOM 1141 C THR A 78 -12.367 -2.583 -5.231 1.00 0.00 C ATOM 1142 O THR A 78 -12.783 -1.682 -5.958 1.00 0.00 O ATOM 1143 CB THR A 78 -11.653 -1.616 -3.042 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.136 -0.313 -3.385 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.525 -1.493 -2.028 1.00 0.00 C ATOM 0 H THR A 78 -10.447 -0.833 -5.555 1.00 0.00 H new ATOM 0 HA THR A 78 -10.752 -3.316 -4.016 1.00 0.00 H new ATOM 0 HB THR A 78 -12.461 -2.196 -2.596 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.439 0.147 -2.575 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.886 -0.969 -1.143 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.180 -2.488 -1.745 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.699 -0.935 -2.469 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.904 -3.799 -5.199 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.044 -4.157 -6.037 1.00 0.00 C ATOM 1155 C LYS A 79 -15.215 -3.207 -5.803 1.00 0.00 C ATOM 1156 O LYS A 79 -15.775 -2.656 -6.751 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.471 -5.597 -5.754 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.361 -6.612 -5.984 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.823 -8.029 -5.683 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.941 -8.462 -6.619 1.00 0.00 C ATOM 1161 NZ LYS A 79 -14.506 -8.451 -8.043 1.00 0.00 N ATOM 0 H LYS A 79 -12.568 -4.554 -4.601 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.740 -4.072 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.813 -5.671 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.320 -5.848 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.022 -6.552 -7.018 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.507 -6.366 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.981 -8.715 -5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.168 -8.089 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.274 -9.464 -6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.796 -7.798 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.207 -8.954 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.424 -7.468 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.583 -8.923 -8.128 1.00 0.00 H new ATOM 1175 N SER A 80 -15.574 -3.013 -4.537 1.00 0.00 N ATOM 1176 CA SER A 80 -16.674 -2.121 -4.188 1.00 0.00 C ATOM 1177 C SER A 80 -16.305 -0.675 -4.506 1.00 0.00 C ATOM 1178 O SER A 80 -17.019 0.014 -5.236 1.00 0.00 O ATOM 1179 CB SER A 80 -17.018 -2.256 -2.704 1.00 0.00 C ATOM 1180 OG SER A 80 -17.393 -3.584 -2.384 1.00 0.00 O ATOM 0 H SER A 80 -15.121 -3.459 -3.739 1.00 0.00 H new ATOM 0 HA SER A 80 -17.546 -2.401 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.159 -1.962 -2.101 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.831 -1.575 -2.453 1.00 0.00 H new ATOM 0 HG SER A 80 -17.606 -3.643 -1.429 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.177 -0.232 -3.960 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.711 1.122 -4.198 1.00 0.00 C ATOM 1188 C GLY A 81 -14.033 1.263 -5.545 1.00 0.00 C ATOM 1189 O GLY A 81 -14.610 0.920 -6.578 1.00 0.00 O ATOM 0 H GLY A 81 -14.575 -0.790 -3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.555 1.810 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.014 1.409 -3.410 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.800 1.761 -5.536 1.00 0.00 N ATOM 1194 CA GLY A 82 -12.057 1.932 -6.771 1.00 0.00 C ATOM 1195 C GLY A 82 -10.584 2.198 -6.529 1.00 0.00 C ATOM 1196 O GLY A 82 -9.984 1.617 -5.624 1.00 0.00 O ATOM 0 H GLY A 82 -12.302 2.049 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -12.166 1.037 -7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.484 2.760 -7.337 1.00 0.00 H new ATOM 1200 N LYS A 83 -10.001 3.078 -7.336 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.589 3.419 -7.202 1.00 0.00 C ATOM 1202 C LYS A 83 -8.319 4.092 -5.861 1.00 0.00 C ATOM 1203 O LYS A 83 -8.996 5.051 -5.488 1.00 0.00 O ATOM 1204 CB LYS A 83 -8.155 4.339 -8.344 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.712 4.801 -8.235 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.330 5.713 -9.388 1.00 0.00 C ATOM 1207 CE LYS A 83 -4.900 6.207 -9.252 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.699 6.977 -7.994 1.00 0.00 N ATOM 0 H LYS A 83 -10.484 3.568 -8.089 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.011 2.496 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.291 3.818 -9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.807 5.212 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.568 5.327 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.051 3.934 -8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.444 5.178 -10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.009 6.565 -9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.218 5.357 -9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.650 6.835 -10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.748 7.397 -7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.411 7.732 -7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.798 6.340 -7.178 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.324 3.584 -5.139 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.979 4.150 -3.848 1.00 0.00 C ATOM 1224 C GLY A 84 -6.070 5.360 -3.961 1.00 0.00 C ATOM 1225 O GLY A 84 -5.031 5.303 -4.618 1.00 0.00 O ATOM 0 H GLY A 84 -6.751 2.790 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.892 4.435 -3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.489 3.388 -3.242 1.00 0.00 H new ATOM 1229 N THR A 85 -6.461 6.453 -3.314 1.00 0.00 N ATOM 1230 CA THR A 85 -5.674 7.683 -3.334 1.00 0.00 C ATOM 1231 C THR A 85 -4.924 7.868 -2.020 1.00 0.00 C ATOM 1232 O THR A 85 -5.397 7.451 -0.965 1.00 0.00 O ATOM 1233 CB THR A 85 -6.561 8.917 -3.583 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.527 9.048 -2.534 1.00 0.00 O ATOM 1235 CG2 THR A 85 -7.273 8.810 -4.923 1.00 0.00 C ATOM 0 H THR A 85 -7.320 6.513 -2.768 1.00 0.00 H new ATOM 0 HA THR A 85 -4.960 7.591 -4.152 1.00 0.00 H new ATOM 0 HB THR A 85 -5.921 9.799 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.085 9.836 -2.700 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.894 9.693 -5.077 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.535 8.741 -5.722 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.901 7.919 -4.931 1.00 0.00 H new ATOM 1243 N SER A 86 -3.752 8.495 -2.084 1.00 0.00 N ATOM 1244 CA SER A 86 -2.953 8.724 -0.885 1.00 0.00 C ATOM 1245 C SER A 86 -2.035 9.928 -1.043 1.00 0.00 C ATOM 1246 O SER A 86 -1.271 10.022 -2.003 1.00 0.00 O ATOM 1247 CB SER A 86 -2.119 7.486 -0.551 1.00 0.00 C ATOM 1248 OG SER A 86 -1.283 7.719 0.568 1.00 0.00 O ATOM 0 H SER A 86 -3.338 8.851 -2.946 1.00 0.00 H new ATOM 0 HA SER A 86 -3.646 8.926 -0.069 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.780 6.644 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.510 7.211 -1.412 1.00 0.00 H new ATOM 0 HG SER A 86 -0.386 7.967 0.260 1.00 0.00 H new ATOM 1254 N THR A 87 -2.111 10.837 -0.078 1.00 0.00 N ATOM 1255 CA THR A 87 -1.285 12.035 -0.082 1.00 0.00 C ATOM 1256 C THR A 87 0.132 11.705 0.368 1.00 0.00 C ATOM 1257 O THR A 87 1.102 12.314 -0.085 1.00 0.00 O ATOM 1258 CB THR A 87 -1.865 13.118 0.848 1.00 0.00 C ATOM 1259 OG1 THR A 87 -1.821 12.669 2.208 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.301 13.443 0.465 1.00 0.00 C ATOM 0 H THR A 87 -2.741 10.765 0.721 1.00 0.00 H new ATOM 0 HA THR A 87 -1.270 12.417 -1.103 1.00 0.00 H new ATOM 0 HB THR A 87 -1.262 14.020 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.190 13.363 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.691 14.210 1.134 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.330 13.808 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.912 12.544 0.548 1.00 0.00 H new ATOM 1268 N VAL A 88 0.238 10.734 1.271 1.00 0.00 N ATOM 1269 CA VAL A 88 1.528 10.311 1.801 1.00 0.00 C ATOM 1270 C VAL A 88 2.199 9.290 0.889 1.00 0.00 C ATOM 1271 O VAL A 88 1.529 8.502 0.221 1.00 0.00 O ATOM 1272 CB VAL A 88 1.384 9.710 3.213 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.846 10.752 4.182 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.483 8.482 3.187 1.00 0.00 C ATOM 0 H VAL A 88 -0.559 10.224 1.652 1.00 0.00 H new ATOM 0 HA VAL A 88 2.152 11.203 1.854 1.00 0.00 H new ATOM 0 HB VAL A 88 2.371 9.399 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.750 10.311 5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.533 11.597 4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.131 11.095 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.395 8.074 4.194 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.505 8.763 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.913 7.729 2.526 1.00 0.00 H new ATOM 1284 N SER A 89 3.527 9.312 0.870 1.00 0.00 N ATOM 1285 CA SER A 89 4.295 8.389 0.044 1.00 0.00 C ATOM 1286 C SER A 89 5.516 7.882 0.802 1.00 0.00 C ATOM 1287 O SER A 89 6.165 8.636 1.529 1.00 0.00 O ATOM 1288 CB SER A 89 4.733 9.065 -1.256 1.00 0.00 C ATOM 1289 OG SER A 89 3.625 9.627 -1.936 1.00 0.00 O ATOM 0 H SER A 89 4.094 9.959 1.418 1.00 0.00 H new ATOM 0 HA SER A 89 3.655 7.541 -0.200 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.463 9.844 -1.036 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.228 8.337 -1.899 1.00 0.00 H new ATOM 0 HG SER A 89 3.620 9.317 -2.866 1.00 0.00 H new ATOM 1295 N PHE A 90 5.816 6.600 0.636 1.00 0.00 N ATOM 1296 CA PHE A 90 6.953 5.987 1.312 1.00 0.00 C ATOM 1297 C PHE A 90 8.243 6.197 0.529 1.00 0.00 C ATOM 1298 O PHE A 90 8.296 5.958 -0.677 1.00 0.00 O ATOM 1299 CB PHE A 90 6.708 4.490 1.501 1.00 0.00 C ATOM 1300 CG PHE A 90 7.853 3.775 2.159 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.217 4.070 3.462 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.567 2.808 1.471 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.272 3.415 4.066 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.622 2.149 2.069 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.975 2.453 3.370 1.00 0.00 C ATOM 0 H PHE A 90 5.288 5.964 0.039 1.00 0.00 H new ATOM 0 HA PHE A 90 7.059 6.467 2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.809 4.350 2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.516 4.035 0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.670 4.821 4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.295 2.567 0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.547 3.655 5.082 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.171 1.397 1.521 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.800 1.939 3.841 1.00 0.00 H new ATOM 1315 N LYS A 91 9.285 6.635 1.230 1.00 0.00 N ATOM 1316 CA LYS A 91 10.582 6.864 0.607 1.00 0.00 C ATOM 1317 C LYS A 91 11.381 5.565 0.537 1.00 0.00 C ATOM 1318 O LYS A 91 11.636 4.928 1.558 1.00 0.00 O ATOM 1319 CB LYS A 91 11.363 7.921 1.392 1.00 0.00 C ATOM 1320 CG LYS A 91 12.728 8.238 0.802 1.00 0.00 C ATOM 1321 CD LYS A 91 13.455 9.303 1.611 1.00 0.00 C ATOM 1322 CE LYS A 91 13.729 8.841 3.034 1.00 0.00 C ATOM 1323 NZ LYS A 91 14.443 9.877 3.828 1.00 0.00 N ATOM 0 H LYS A 91 9.255 6.838 2.229 1.00 0.00 H new ATOM 0 HA LYS A 91 10.419 7.225 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.774 8.837 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.492 7.577 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.331 7.330 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.610 8.579 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.397 9.552 1.122 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.857 10.214 1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.787 8.595 3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.324 7.928 3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.610 9.522 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.354 10.094 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.864 10.740 3.873 1.00 0.00 H new ATOM 1337 N LEU A 92 11.770 5.177 -0.675 1.00 0.00 N ATOM 1338 CA LEU A 92 12.537 3.951 -0.875 1.00 0.00 C ATOM 1339 C LEU A 92 14.006 4.155 -0.523 1.00 0.00 C ATOM 1340 O LEU A 92 14.633 5.118 -0.967 1.00 0.00 O ATOM 1341 CB LEU A 92 12.416 3.468 -2.325 1.00 0.00 C ATOM 1342 CG LEU A 92 11.046 2.912 -2.731 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.663 1.733 -1.851 1.00 0.00 C ATOM 1344 CD2 LEU A 92 9.979 3.995 -2.670 1.00 0.00 C ATOM 0 H LEU A 92 11.567 5.693 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 92 12.123 3.193 -0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.660 4.299 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.166 2.695 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 92 11.116 2.564 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.688 1.353 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.408 0.944 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.618 2.055 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.017 3.575 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.912 4.383 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.243 4.805 -3.350 1.00 0.00 H new ATOM 1356 N LEU A 93 14.554 3.235 0.267 1.00 0.00 N ATOM 1357 CA LEU A 93 15.955 3.305 0.667 1.00 0.00 C ATOM 1358 C LEU A 93 16.769 2.225 -0.039 1.00 0.00 C ATOM 1359 O LEU A 93 16.330 1.081 -0.157 1.00 0.00 O ATOM 1360 CB LEU A 93 16.096 3.157 2.185 1.00 0.00 C ATOM 1361 CG LEU A 93 15.389 4.231 3.018 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.672 4.026 4.497 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.820 5.624 2.583 1.00 0.00 C ATOM 0 H LEU A 93 14.048 2.433 0.642 1.00 0.00 H new ATOM 0 HA LEU A 93 16.339 4.283 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.707 2.181 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.156 3.165 2.437 1.00 0.00 H new ATOM 0 HG LEU A 93 14.316 4.139 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.163 4.797 5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.311 3.044 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.746 4.089 4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.305 6.370 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.897 5.730 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.567 5.772 1.533 1.00 0.00 H new ATOM 1375 N LYS A 94 17.955 2.597 -0.508 1.00 0.00 N ATOM 1376 CA LYS A 94 18.831 1.663 -1.206 1.00 0.00 C ATOM 1377 C LYS A 94 19.229 0.504 -0.291 1.00 0.00 C ATOM 1378 O LYS A 94 19.690 0.722 0.829 1.00 0.00 O ATOM 1379 CB LYS A 94 20.084 2.388 -1.705 1.00 0.00 C ATOM 1380 CG LYS A 94 21.033 1.501 -2.495 1.00 0.00 C ATOM 1381 CD LYS A 94 22.269 2.267 -2.941 1.00 0.00 C ATOM 1382 CE LYS A 94 23.202 1.391 -3.761 1.00 0.00 C ATOM 1383 NZ LYS A 94 22.541 0.876 -4.991 1.00 0.00 N ATOM 0 H LYS A 94 18.332 3.540 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 94 18.288 1.258 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.781 3.228 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.617 2.803 -0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.332 0.650 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.517 1.100 -3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.968 3.133 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.799 2.646 -2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 94 24.088 1.963 -4.037 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.541 0.552 -3.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 23.260 0.488 -5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.866 0.128 -4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.035 1.652 -5.464 1.00 0.00 H new ATOM 1397 N PRO A 95 19.052 -0.748 -0.755 1.00 0.00 N ATOM 1398 CA PRO A 95 19.393 -1.938 0.034 1.00 0.00 C ATOM 1399 C PRO A 95 20.855 -1.954 0.460 1.00 0.00 C ATOM 1400 O PRO A 95 21.751 -1.744 -0.359 1.00 0.00 O ATOM 1401 CB PRO A 95 19.114 -3.100 -0.922 1.00 0.00 C ATOM 1402 CG PRO A 95 18.142 -2.556 -1.909 1.00 0.00 C ATOM 1403 CD PRO A 95 18.501 -1.107 -2.075 1.00 0.00 C ATOM 0 HA PRO A 95 18.820 -1.981 0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.028 -3.438 -1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.701 -3.958 -0.392 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.209 -3.087 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.118 -2.668 -1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.232 -0.961 -2.871 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.630 -0.502 -2.327 1.00 0.00 H new ATOM 1411 N GLU A 96 21.092 -2.213 1.740 1.00 0.00 N ATOM 1412 CA GLU A 96 22.450 -2.266 2.263 1.00 0.00 C ATOM 1413 C GLU A 96 23.159 -3.524 1.775 1.00 0.00 C ATOM 1414 O GLU A 96 22.772 -4.641 2.121 1.00 0.00 O ATOM 1415 CB GLU A 96 22.432 -2.230 3.793 1.00 0.00 C ATOM 1416 CG GLU A 96 23.818 -2.260 4.420 1.00 0.00 C ATOM 1417 CD GLU A 96 23.773 -2.217 5.935 1.00 0.00 C ATOM 1418 OE1 GLU A 96 23.236 -1.232 6.485 1.00 0.00 O ATOM 1419 OE2 GLU A 96 24.274 -3.168 6.571 1.00 0.00 O ATOM 0 H GLU A 96 20.364 -2.389 2.432 1.00 0.00 H new ATOM 0 HA GLU A 96 22.995 -1.395 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 96 21.914 -1.329 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 96 21.857 -3.080 4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 96 24.338 -3.163 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 96 24.397 -1.413 4.053 1.00 0.00 H new ATOM 1426 N LYS A 97 24.199 -3.334 0.969 1.00 0.00 N ATOM 1427 CA LYS A 97 24.968 -4.451 0.428 1.00 0.00 C ATOM 1428 C LYS A 97 26.186 -3.950 -0.343 1.00 0.00 C ATOM 1429 O LYS A 97 26.232 -2.742 -0.656 1.00 0.00 O ATOM 1430 CB LYS A 97 24.091 -5.307 -0.487 1.00 0.00 C ATOM 1431 CG LYS A 97 23.526 -4.548 -1.677 1.00 0.00 C ATOM 1432 CD LYS A 97 22.638 -5.437 -2.532 1.00 0.00 C ATOM 1433 CE LYS A 97 22.066 -4.676 -3.717 1.00 0.00 C ATOM 1434 NZ LYS A 97 21.148 -5.522 -4.528 1.00 0.00 N ATOM 1435 OXT LYS A 97 27.084 -4.772 -0.626 1.00 0.00 O ATOM 0 H LYS A 97 24.530 -2.415 0.675 1.00 0.00 H new ATOM 0 HA LYS A 97 25.312 -5.060 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 97 24.676 -6.151 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.266 -5.718 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 97 22.953 -3.690 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.344 -4.158 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 97 23.213 -6.291 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 97 21.824 -5.832 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.529 -3.797 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 97 22.881 -4.318 -4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.779 -4.967 -5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.666 -6.348 -4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.357 -5.843 -3.934 1.00 0.00 H new TER 1449 LYS A 97