USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 760 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 56 GLN : amide:sc= -0.343 K(o=-0.81,f=-2.1) USER MOD Set 1.2: A 91 GLN : amide:sc= -0.463 X(o=-0.81,f=-0.54) USER MOD Set 2.1: A 17 MET CE :methyl -132:sc= -0.017 (180deg=-1.56) USER MOD Set 2.2: A 77 MET CE :methyl 160:sc= -2.74! (180deg=-3.74!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.114 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 146:sc= -0.0198 (180deg=-0.546) USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.11 K(o=-2.1,f=-7.3!) USER MOD Single : A 15 ASN : amide:sc= -0.0841 K(o=-0.084,f=-0.98) USER MOD Single : A 20 SER OG : rot -160:sc= -0.513 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.083) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.181 USER MOD Single : A 41 LYS NZ :NH3+ 147:sc= 1.11 (180deg=0.411) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -4.42! C(o=-4.4!,f=-6.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -84:sc= 1.23 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 THR OG1 : rot 130:sc= -1.64 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.734 8.203 -18.661 1.00 0.00 N ATOM 2 CA MET A 1 -2.872 7.742 -17.820 1.00 0.00 C ATOM 3 C MET A 1 -4.125 8.574 -18.086 1.00 0.00 C ATOM 4 O MET A 1 -4.081 9.805 -18.046 1.00 0.00 O ATOM 5 CB MET A 1 -2.470 7.843 -16.344 1.00 0.00 C ATOM 6 CG MET A 1 -1.449 6.800 -15.915 1.00 0.00 C ATOM 7 SD MET A 1 0.227 7.461 -15.825 1.00 0.00 S ATOM 8 CE MET A 1 1.170 5.962 -15.554 1.00 0.00 C ATOM 0 H1 MET A 1 -0.858 8.185 -18.100 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.632 7.573 -19.482 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.915 9.173 -18.989 1.00 0.00 H new ATOM 0 HA MET A 1 -3.104 6.707 -18.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.063 8.836 -16.155 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.362 7.741 -15.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.731 6.401 -14.940 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.469 5.967 -16.618 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.229 6.207 -15.477 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.840 5.486 -14.631 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.016 5.279 -16.389 1.00 0.00 H new ATOM 20 N LYS A 2 -5.237 7.892 -18.360 1.00 0.00 N ATOM 21 CA LYS A 2 -6.506 8.563 -18.636 1.00 0.00 C ATOM 22 C LYS A 2 -7.503 8.338 -17.498 1.00 0.00 C ATOM 23 O LYS A 2 -8.499 7.628 -17.659 1.00 0.00 O ATOM 24 CB LYS A 2 -7.089 8.067 -19.965 1.00 0.00 C ATOM 25 CG LYS A 2 -7.340 9.178 -20.973 1.00 0.00 C ATOM 26 CD LYS A 2 -8.616 9.946 -20.655 1.00 0.00 C ATOM 27 CE LYS A 2 -9.855 9.201 -21.133 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.554 8.494 -20.021 1.00 0.00 N ATOM 0 H LYS A 2 -5.284 6.874 -18.397 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.317 9.634 -18.712 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.406 7.339 -20.402 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.027 7.547 -19.769 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.493 9.864 -20.977 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.411 8.753 -21.974 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.683 10.111 -19.580 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.577 10.928 -21.127 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.542 9.906 -21.601 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.570 8.478 -21.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -11.580 8.504 -20.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.221 7.510 -19.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.350 8.974 -19.121 1.00 0.00 H new ATOM 42 N GLU A 3 -7.224 8.955 -16.348 1.00 0.00 N ATOM 43 CA GLU A 3 -8.084 8.839 -15.168 1.00 0.00 C ATOM 44 C GLU A 3 -8.195 7.387 -14.698 1.00 0.00 C ATOM 45 O GLU A 3 -9.134 6.674 -15.061 1.00 0.00 O ATOM 46 CB GLU A 3 -9.474 9.414 -15.458 1.00 0.00 C ATOM 47 CG GLU A 3 -10.069 10.180 -14.287 1.00 0.00 C ATOM 48 CD GLU A 3 -11.473 10.683 -14.564 1.00 0.00 C ATOM 49 OE1 GLU A 3 -11.694 11.270 -15.646 1.00 0.00 O ATOM 50 OE2 GLU A 3 -12.353 10.493 -13.698 1.00 0.00 O ATOM 0 H GLU A 3 -6.403 9.544 -16.208 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.625 9.416 -14.365 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.412 10.076 -16.321 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.146 8.600 -15.729 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.086 9.535 -13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.425 11.027 -14.048 1.00 0.00 H new ATOM 57 N PRO A 4 -7.229 6.928 -13.879 1.00 0.00 N ATOM 58 CA PRO A 4 -7.215 5.555 -13.357 1.00 0.00 C ATOM 59 C PRO A 4 -8.278 5.319 -12.282 1.00 0.00 C ATOM 60 O PRO A 4 -9.043 6.224 -11.941 1.00 0.00 O ATOM 61 CB PRO A 4 -5.812 5.423 -12.761 1.00 0.00 C ATOM 62 CG PRO A 4 -5.436 6.811 -12.377 1.00 0.00 C ATOM 63 CD PRO A 4 -6.070 7.711 -13.403 1.00 0.00 C ATOM 0 HA PRO A 4 -7.439 4.823 -14.133 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.809 4.758 -11.897 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.111 5.008 -13.485 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.793 7.049 -11.375 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.353 6.933 -12.367 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.379 8.661 -12.967 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.381 7.942 -14.215 1.00 0.00 H new ATOM 71 N GLU A 5 -8.321 4.095 -11.754 1.00 0.00 N ATOM 72 CA GLU A 5 -9.289 3.734 -10.724 1.00 0.00 C ATOM 73 C GLU A 5 -8.615 3.590 -9.361 1.00 0.00 C ATOM 74 O GLU A 5 -8.094 2.526 -9.021 1.00 0.00 O ATOM 75 CB GLU A 5 -10.002 2.431 -11.097 1.00 0.00 C ATOM 76 CG GLU A 5 -11.063 2.010 -10.091 1.00 0.00 C ATOM 77 CD GLU A 5 -11.951 0.891 -10.604 1.00 0.00 C ATOM 78 OE1 GLU A 5 -12.638 1.098 -11.626 1.00 0.00 O ATOM 79 OE2 GLU A 5 -11.962 -0.190 -9.979 1.00 0.00 O ATOM 0 H GLU A 5 -7.694 3.337 -12.025 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.024 4.536 -10.658 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.467 2.548 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.263 1.635 -11.188 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.576 1.688 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.681 2.872 -9.840 1.00 0.00 H new ATOM 86 N ILE A 6 -8.637 4.671 -8.586 1.00 0.00 N ATOM 87 CA ILE A 6 -8.037 4.678 -7.254 1.00 0.00 C ATOM 88 C ILE A 6 -9.103 4.890 -6.181 1.00 0.00 C ATOM 89 O ILE A 6 -9.857 5.863 -6.230 1.00 0.00 O ATOM 90 CB ILE A 6 -6.966 5.782 -7.119 1.00 0.00 C ATOM 91 CG1 ILE A 6 -5.979 5.720 -8.287 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.230 5.656 -5.790 1.00 0.00 C ATOM 93 CD1 ILE A 6 -5.240 7.018 -8.516 1.00 0.00 C ATOM 0 H ILE A 6 -9.065 5.556 -8.858 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.562 3.707 -7.115 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.467 6.750 -7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.256 4.926 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.519 5.452 -9.195 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.479 6.443 -5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.941 5.752 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.742 4.683 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.557 6.904 -9.358 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.956 7.811 -8.734 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.673 7.277 -7.622 1.00 0.00 H new ATOM 105 N ILE A 7 -9.157 3.975 -5.214 1.00 0.00 N ATOM 106 CA ILE A 7 -10.132 4.066 -4.129 1.00 0.00 C ATOM 107 C ILE A 7 -9.492 3.748 -2.778 1.00 0.00 C ATOM 108 O ILE A 7 -8.698 2.812 -2.660 1.00 0.00 O ATOM 109 CB ILE A 7 -11.328 3.113 -4.351 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.846 1.665 -4.496 1.00 0.00 C ATOM 111 CG2 ILE A 7 -12.130 3.539 -5.574 1.00 0.00 C ATOM 112 CD1 ILE A 7 -11.259 0.772 -3.345 1.00 0.00 C ATOM 0 H ILE A 7 -8.539 3.165 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.494 5.094 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.979 3.169 -3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.238 1.251 -5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.759 1.659 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.968 2.857 -5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.507 4.551 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.490 3.514 -6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.884 -0.237 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.844 1.162 -2.415 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.347 0.748 -3.275 1.00 0.00 H new ATOM 124 N THR A 8 -9.848 4.530 -1.760 1.00 0.00 N ATOM 125 CA THR A 8 -9.314 4.330 -0.414 1.00 0.00 C ATOM 126 C THR A 8 -10.256 3.463 0.421 1.00 0.00 C ATOM 127 O THR A 8 -11.478 3.533 0.271 1.00 0.00 O ATOM 128 CB THR A 8 -9.093 5.677 0.284 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.989 6.732 -0.657 1.00 0.00 O ATOM 130 CG2 THR A 8 -7.853 5.707 1.153 1.00 0.00 C ATOM 0 H THR A 8 -10.503 5.307 -1.842 1.00 0.00 H new ATOM 0 HA THR A 8 -8.356 3.818 -0.506 1.00 0.00 H new ATOM 0 HB THR A 8 -9.967 5.811 0.921 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.850 7.579 -0.185 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.757 6.689 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.934 4.946 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.974 5.508 0.540 1.00 0.00 H new ATOM 138 N VAL A 9 -9.677 2.647 1.300 1.00 0.00 N ATOM 139 CA VAL A 9 -10.456 1.764 2.164 1.00 0.00 C ATOM 140 C VAL A 9 -10.125 2.004 3.634 1.00 0.00 C ATOM 141 O VAL A 9 -8.961 1.950 4.035 1.00 0.00 O ATOM 142 CB VAL A 9 -10.212 0.277 1.823 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.712 -0.034 0.421 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.738 -0.084 1.962 1.00 0.00 C ATOM 0 H VAL A 9 -8.668 2.580 1.432 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.507 1.996 1.989 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.772 -0.330 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.533 -1.085 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.781 0.173 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.181 0.587 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.596 -1.136 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.147 0.530 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.415 0.095 2.987 1.00 0.00 H new ATOM 154 N THR A 10 -11.156 2.273 4.432 1.00 0.00 N ATOM 155 CA THR A 10 -10.978 2.526 5.859 1.00 0.00 C ATOM 156 C THR A 10 -11.258 1.263 6.672 1.00 0.00 C ATOM 157 O THR A 10 -12.398 0.801 6.743 1.00 0.00 O ATOM 158 CB THR A 10 -11.902 3.659 6.320 1.00 0.00 C ATOM 159 OG1 THR A 10 -12.104 4.603 5.280 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.374 4.408 7.524 1.00 0.00 C ATOM 0 H THR A 10 -12.124 2.321 4.114 1.00 0.00 H new ATOM 0 HA THR A 10 -9.942 2.823 6.024 1.00 0.00 H new ATOM 0 HB THR A 10 -12.838 3.172 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.698 5.316 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.075 5.196 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.258 3.718 8.360 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.408 4.850 7.282 1.00 0.00 H new ATOM 168 N LEU A 11 -10.208 0.706 7.277 1.00 0.00 N ATOM 169 CA LEU A 11 -10.338 -0.509 8.079 1.00 0.00 C ATOM 170 C LEU A 11 -9.638 -0.356 9.429 1.00 0.00 C ATOM 171 O LEU A 11 -8.701 0.430 9.567 1.00 0.00 O ATOM 172 CB LEU A 11 -9.757 -1.707 7.323 1.00 0.00 C ATOM 173 CG LEU A 11 -10.393 -1.981 5.957 1.00 0.00 C ATOM 174 CD1 LEU A 11 -9.535 -2.940 5.146 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.803 -2.531 6.127 1.00 0.00 C ATOM 0 H LEU A 11 -9.259 1.077 7.226 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.399 -0.680 8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.688 -1.546 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.867 -2.597 7.943 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.455 -1.039 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.005 -3.121 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.548 -2.504 4.993 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.436 -3.883 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.240 -2.720 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.765 -3.462 6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.414 -1.805 6.663 1.00 0.00 H new ATOM 187 N LYS A 12 -10.099 -1.119 10.420 1.00 0.00 N ATOM 188 CA LYS A 12 -9.516 -1.074 11.760 1.00 0.00 C ATOM 189 C LYS A 12 -8.402 -2.113 11.902 1.00 0.00 C ATOM 190 O LYS A 12 -8.586 -3.282 11.564 1.00 0.00 O ATOM 191 CB LYS A 12 -10.596 -1.317 12.820 1.00 0.00 C ATOM 192 CG LYS A 12 -11.442 -0.088 13.126 1.00 0.00 C ATOM 193 CD LYS A 12 -12.782 -0.463 13.746 1.00 0.00 C ATOM 194 CE LYS A 12 -13.884 -0.534 12.698 1.00 0.00 C ATOM 195 NZ LYS A 12 -14.739 -1.744 12.863 1.00 0.00 N ATOM 0 H LYS A 12 -10.874 -1.775 10.320 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.088 -0.083 11.911 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.249 -2.122 12.482 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.120 -1.657 13.740 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.898 0.568 13.806 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.611 0.475 12.208 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.694 -1.426 14.248 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.049 0.270 14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.505 0.360 12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.438 -0.539 11.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.475 -1.751 12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.153 -2.598 12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.186 -1.728 13.802 1.00 0.00 H new ATOM 209 N LYS A 13 -7.248 -1.675 12.405 1.00 0.00 N ATOM 210 CA LYS A 13 -6.100 -2.561 12.594 1.00 0.00 C ATOM 211 C LYS A 13 -6.328 -3.521 13.762 1.00 0.00 C ATOM 212 O LYS A 13 -6.553 -3.089 14.893 1.00 0.00 O ATOM 213 CB LYS A 13 -4.833 -1.739 12.844 1.00 0.00 C ATOM 214 CG LYS A 13 -3.557 -2.568 12.862 1.00 0.00 C ATOM 215 CD LYS A 13 -3.134 -2.920 14.283 1.00 0.00 C ATOM 216 CE LYS A 13 -2.299 -1.812 14.910 1.00 0.00 C ATOM 217 NZ LYS A 13 -2.308 -1.878 16.399 1.00 0.00 N ATOM 0 H LYS A 13 -7.083 -0.709 12.690 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.979 -3.148 11.684 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.748 -0.975 12.071 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.931 -1.219 13.797 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.710 -3.483 12.290 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.757 -2.015 12.370 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.019 -3.099 14.893 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.561 -3.847 14.274 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.273 -1.884 14.550 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.682 -0.844 14.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.727 -1.106 16.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.284 -1.783 16.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.919 -2.791 16.708 1.00 0.00 H new ATOM 231 N GLN A 14 -6.252 -4.822 13.483 1.00 0.00 N ATOM 232 CA GLN A 14 -6.435 -5.838 14.521 1.00 0.00 C ATOM 233 C GLN A 14 -5.100 -6.487 14.888 1.00 0.00 C ATOM 234 O GLN A 14 -4.833 -6.747 16.062 1.00 0.00 O ATOM 235 CB GLN A 14 -7.437 -6.916 14.086 1.00 0.00 C ATOM 236 CG GLN A 14 -7.403 -7.246 12.601 1.00 0.00 C ATOM 237 CD GLN A 14 -8.288 -6.330 11.777 1.00 0.00 C ATOM 238 OE1 GLN A 14 -7.837 -5.728 10.807 1.00 0.00 O ATOM 239 NE2 GLN A 14 -9.556 -6.219 12.161 1.00 0.00 N ATOM 0 H GLN A 14 -6.066 -5.197 12.553 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.838 -5.333 15.399 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.241 -7.826 14.652 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.442 -6.587 14.349 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.377 -7.174 12.240 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.720 -8.279 12.455 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.890 -6.737 12.974 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.195 -5.616 11.643 1.00 0.00 H new ATOM 248 N ASN A 15 -4.264 -6.745 13.879 1.00 0.00 N ATOM 249 CA ASN A 15 -2.956 -7.359 14.103 1.00 0.00 C ATOM 250 C ASN A 15 -2.016 -7.108 12.920 1.00 0.00 C ATOM 251 O ASN A 15 -1.308 -8.013 12.470 1.00 0.00 O ATOM 252 CB ASN A 15 -3.112 -8.864 14.344 1.00 0.00 C ATOM 253 CG ASN A 15 -1.908 -9.464 15.046 1.00 0.00 C ATOM 254 OD1 ASN A 15 -1.304 -8.833 15.915 1.00 0.00 O ATOM 255 ND2 ASN A 15 -1.550 -10.687 14.673 1.00 0.00 N ATOM 0 H ASN A 15 -4.470 -6.538 12.902 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.515 -6.900 14.988 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.005 -9.043 14.943 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.262 -9.369 13.390 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.747 -11.139 15.110 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.078 -11.174 13.949 1.00 0.00 H new ATOM 262 N GLY A 16 -2.017 -5.873 12.418 1.00 0.00 N ATOM 263 CA GLY A 16 -1.169 -5.522 11.291 1.00 0.00 C ATOM 264 C GLY A 16 -1.757 -5.981 9.968 1.00 0.00 C ATOM 265 O GLY A 16 -2.937 -6.327 9.899 1.00 0.00 O ATOM 0 H GLY A 16 -2.592 -5.109 12.773 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.026 -4.442 11.268 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.185 -5.971 11.425 1.00 0.00 H new ATOM 269 N MET A 17 -0.939 -5.986 8.918 1.00 0.00 N ATOM 270 CA MET A 17 -1.391 -6.411 7.595 1.00 0.00 C ATOM 271 C MET A 17 -0.468 -7.488 7.030 1.00 0.00 C ATOM 272 O MET A 17 0.520 -7.179 6.368 1.00 0.00 O ATOM 273 CB MET A 17 -1.448 -5.217 6.637 1.00 0.00 C ATOM 274 CG MET A 17 -2.280 -4.053 7.152 1.00 0.00 C ATOM 275 SD MET A 17 -2.201 -2.616 6.065 1.00 0.00 S ATOM 276 CE MET A 17 -0.537 -2.033 6.390 1.00 0.00 C ATOM 0 H MET A 17 0.040 -5.701 8.957 1.00 0.00 H new ATOM 0 HA MET A 17 -2.393 -6.828 7.698 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.433 -4.869 6.445 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.857 -5.549 5.683 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.318 -4.370 7.256 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.931 -3.773 8.146 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.557 -0.959 6.574 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.137 -2.544 7.266 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.097 -2.242 5.528 1.00 0.00 H new ATOM 286 N GLY A 18 -0.796 -8.751 7.301 1.00 0.00 N ATOM 287 CA GLY A 18 0.010 -9.861 6.824 1.00 0.00 C ATOM 288 C GLY A 18 0.102 -9.923 5.310 1.00 0.00 C ATOM 289 O GLY A 18 -0.657 -10.639 4.668 1.00 0.00 O ATOM 0 H GLY A 18 -1.613 -9.025 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.014 -9.778 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.413 -10.795 7.195 1.00 0.00 H new ATOM 293 N LEU A 19 1.036 -9.162 4.747 1.00 0.00 N ATOM 294 CA LEU A 19 1.245 -9.125 3.297 1.00 0.00 C ATOM 295 C LEU A 19 2.631 -8.571 2.958 1.00 0.00 C ATOM 296 O LEU A 19 3.396 -8.200 3.849 1.00 0.00 O ATOM 297 CB LEU A 19 0.160 -8.282 2.618 1.00 0.00 C ATOM 298 CG LEU A 19 0.198 -6.794 2.950 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.108 -6.058 1.978 1.00 0.00 C ATOM 300 CD2 LEU A 19 -1.204 -6.200 2.934 1.00 0.00 C ATOM 0 H LEU A 19 1.666 -8.557 5.274 1.00 0.00 H new ATOM 0 HA LEU A 19 1.182 -10.147 2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.252 -8.400 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.816 -8.677 2.900 1.00 0.00 H new ATOM 0 HG LEU A 19 0.601 -6.676 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.125 -4.997 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.118 -6.463 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.734 -6.186 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.152 -5.138 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.642 -6.328 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.823 -6.709 3.673 1.00 0.00 H new ATOM 312 N SER A 20 2.943 -8.519 1.664 1.00 0.00 N ATOM 313 CA SER A 20 4.235 -8.014 1.202 1.00 0.00 C ATOM 314 C SER A 20 4.061 -7.003 0.069 1.00 0.00 C ATOM 315 O SER A 20 3.066 -7.039 -0.661 1.00 0.00 O ATOM 316 CB SER A 20 5.120 -9.175 0.741 1.00 0.00 C ATOM 317 OG SER A 20 4.362 -10.185 0.090 1.00 0.00 O ATOM 0 H SER A 20 2.318 -8.821 0.916 1.00 0.00 H new ATOM 0 HA SER A 20 4.717 -7.506 2.037 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.887 -8.801 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.636 -9.604 1.600 1.00 0.00 H new ATOM 0 HG SER A 20 4.866 -11.025 0.093 1.00 0.00 H new ATOM 323 N ILE A 21 5.034 -6.097 -0.073 1.00 0.00 N ATOM 324 CA ILE A 21 4.976 -5.073 -1.116 1.00 0.00 C ATOM 325 C ILE A 21 6.296 -4.955 -1.882 1.00 0.00 C ATOM 326 O ILE A 21 7.357 -5.338 -1.382 1.00 0.00 O ATOM 327 CB ILE A 21 4.597 -3.692 -0.535 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.512 -3.314 0.635 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.141 -3.690 -0.093 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.852 -2.762 0.205 1.00 0.00 C ATOM 0 H ILE A 21 5.865 -6.053 0.517 1.00 0.00 H new ATOM 0 HA ILE A 21 4.200 -5.393 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 21 4.729 -2.946 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.006 -2.574 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.674 -4.194 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.886 -2.712 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.501 -3.905 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.992 -4.452 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.444 -2.517 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.379 -3.508 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.700 -1.862 -0.392 1.00 0.00 H new ATOM 342 N VAL A 22 6.213 -4.417 -3.103 1.00 0.00 N ATOM 343 CA VAL A 22 7.386 -4.239 -3.958 1.00 0.00 C ATOM 344 C VAL A 22 7.386 -2.859 -4.618 1.00 0.00 C ATOM 345 O VAL A 22 6.349 -2.380 -5.080 1.00 0.00 O ATOM 346 CB VAL A 22 7.452 -5.323 -5.059 1.00 0.00 C ATOM 347 CG1 VAL A 22 8.681 -5.133 -5.940 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.442 -6.718 -4.447 1.00 0.00 C ATOM 0 H VAL A 22 5.340 -4.096 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 22 8.261 -4.331 -3.314 1.00 0.00 H new ATOM 0 HB VAL A 22 6.566 -5.218 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.703 -5.908 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.639 -4.154 -6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.581 -5.201 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.489 -7.464 -5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.304 -6.833 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.526 -6.857 -3.873 1.00 0.00 H new ATOM 358 N ALA A 23 8.561 -2.232 -4.662 1.00 0.00 N ATOM 359 CA ALA A 23 8.713 -0.909 -5.267 1.00 0.00 C ATOM 360 C ALA A 23 8.891 -1.010 -6.783 1.00 0.00 C ATOM 361 O ALA A 23 9.297 -2.054 -7.300 1.00 0.00 O ATOM 362 CB ALA A 23 9.894 -0.182 -4.644 1.00 0.00 C ATOM 0 H ALA A 23 9.425 -2.621 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 23 7.803 -0.341 -5.074 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.998 0.802 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.727 -0.068 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.804 -0.758 -4.810 1.00 0.00 H new ATOM 368 N ALA A 24 8.590 0.081 -7.490 1.00 0.00 N ATOM 369 CA ALA A 24 8.721 0.114 -8.946 1.00 0.00 C ATOM 370 C ALA A 24 8.952 1.536 -9.453 1.00 0.00 C ATOM 371 O ALA A 24 8.369 2.492 -8.936 1.00 0.00 O ATOM 372 CB ALA A 24 7.485 -0.483 -9.602 1.00 0.00 C ATOM 0 H ALA A 24 8.254 0.952 -7.078 1.00 0.00 H new ATOM 0 HA ALA A 24 9.591 -0.484 -9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.597 -0.451 -10.686 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.366 -1.517 -9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.605 0.092 -9.311 1.00 0.00 H new ATOM 378 N LYS A 25 9.804 1.665 -10.470 1.00 0.00 N ATOM 379 CA LYS A 25 10.115 2.969 -11.057 1.00 0.00 C ATOM 380 C LYS A 25 10.002 2.926 -12.581 1.00 0.00 C ATOM 381 O LYS A 25 9.694 1.882 -13.161 1.00 0.00 O ATOM 382 CB LYS A 25 11.524 3.410 -10.651 1.00 0.00 C ATOM 383 CG LYS A 25 11.544 4.448 -9.541 1.00 0.00 C ATOM 384 CD LYS A 25 12.822 5.272 -9.569 1.00 0.00 C ATOM 385 CE LYS A 25 12.598 6.673 -9.017 1.00 0.00 C ATOM 386 NZ LYS A 25 13.586 7.024 -7.957 1.00 0.00 N ATOM 0 H LYS A 25 10.292 0.882 -10.905 1.00 0.00 H new ATOM 0 HA LYS A 25 9.391 3.690 -10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.090 2.536 -10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.034 3.816 -11.525 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.682 5.108 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.452 3.951 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.593 4.769 -8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.190 5.338 -10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.666 7.397 -9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.589 6.745 -8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.396 7.986 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.505 6.350 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.548 6.982 -8.351 1.00 0.00 H new ATOM 400 N GLY A 26 10.256 4.066 -13.223 1.00 0.00 N ATOM 401 CA GLY A 26 10.182 4.141 -14.669 1.00 0.00 C ATOM 402 C GLY A 26 10.768 5.429 -15.196 1.00 0.00 C ATOM 403 O GLY A 26 11.791 5.904 -14.696 1.00 0.00 O ATOM 0 H GLY A 26 10.512 4.940 -12.763 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.714 3.295 -15.104 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.142 4.060 -14.984 1.00 0.00 H new ATOM 407 N ALA A 27 10.115 6.002 -16.197 1.00 0.00 N ATOM 408 CA ALA A 27 10.573 7.253 -16.778 1.00 0.00 C ATOM 409 C ALA A 27 9.661 8.402 -16.365 1.00 0.00 C ATOM 410 O ALA A 27 8.446 8.228 -16.249 1.00 0.00 O ATOM 411 CB ALA A 27 10.651 7.149 -18.295 1.00 0.00 C ATOM 0 H ALA A 27 9.269 5.621 -16.622 1.00 0.00 H new ATOM 0 HA ALA A 27 11.575 7.456 -16.400 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.996 8.097 -18.707 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.349 6.358 -18.570 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.664 6.917 -18.695 1.00 0.00 H new ATOM 417 N GLY A 28 10.255 9.570 -16.126 1.00 0.00 N ATOM 418 CA GLY A 28 9.480 10.723 -15.704 1.00 0.00 C ATOM 419 C GLY A 28 8.770 10.470 -14.387 1.00 0.00 C ATOM 420 O GLY A 28 7.640 10.918 -14.183 1.00 0.00 O ATOM 0 H GLY A 28 11.257 9.737 -16.217 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.138 11.586 -15.603 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.746 10.969 -16.472 1.00 0.00 H new ATOM 424 N GLN A 29 9.435 9.733 -13.496 1.00 0.00 N ATOM 425 CA GLN A 29 8.872 9.397 -12.198 1.00 0.00 C ATOM 426 C GLN A 29 9.768 9.892 -11.069 1.00 0.00 C ATOM 427 O GLN A 29 10.778 9.264 -10.744 1.00 0.00 O ATOM 428 CB GLN A 29 8.680 7.884 -12.083 1.00 0.00 C ATOM 429 CG GLN A 29 7.714 7.479 -10.982 1.00 0.00 C ATOM 430 CD GLN A 29 6.982 6.189 -11.294 1.00 0.00 C ATOM 431 OE1 GLN A 29 6.987 5.250 -10.498 1.00 0.00 O ATOM 432 NE2 GLN A 29 6.350 6.135 -12.462 1.00 0.00 N ATOM 0 H GLN A 29 10.370 9.358 -13.656 1.00 0.00 H new ATOM 0 HA GLN A 29 7.904 9.891 -12.111 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.316 7.498 -13.035 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.647 7.416 -11.898 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.262 7.364 -10.047 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.987 8.277 -10.830 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.372 6.937 -13.091 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.843 5.291 -12.729 1.00 0.00 H new ATOM 441 N ASP A 30 9.387 11.015 -10.466 1.00 0.00 N ATOM 442 CA ASP A 30 10.151 11.586 -9.362 1.00 0.00 C ATOM 443 C ASP A 30 9.664 11.047 -8.012 1.00 0.00 C ATOM 444 O ASP A 30 9.925 11.640 -6.964 1.00 0.00 O ATOM 445 CB ASP A 30 10.059 13.115 -9.392 1.00 0.00 C ATOM 446 CG ASP A 30 11.107 13.777 -8.520 1.00 0.00 C ATOM 447 OD1 ASP A 30 12.312 13.559 -8.769 1.00 0.00 O ATOM 448 OD2 ASP A 30 10.724 14.516 -7.588 1.00 0.00 O ATOM 0 H ASP A 30 8.555 11.546 -10.723 1.00 0.00 H new ATOM 0 HA ASP A 30 11.193 11.291 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.173 13.462 -10.419 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.068 13.423 -9.060 1.00 0.00 H new ATOM 453 N LYS A 31 8.962 9.914 -8.049 1.00 0.00 N ATOM 454 CA LYS A 31 8.441 9.281 -6.843 1.00 0.00 C ATOM 455 C LYS A 31 8.610 7.764 -6.922 1.00 0.00 C ATOM 456 O LYS A 31 9.261 7.252 -7.836 1.00 0.00 O ATOM 457 CB LYS A 31 6.960 9.632 -6.647 1.00 0.00 C ATOM 458 CG LYS A 31 6.622 11.082 -6.958 1.00 0.00 C ATOM 459 CD LYS A 31 5.784 11.203 -8.221 1.00 0.00 C ATOM 460 CE LYS A 31 5.616 12.656 -8.642 1.00 0.00 C ATOM 461 NZ LYS A 31 4.767 13.422 -7.685 1.00 0.00 N ATOM 0 H LYS A 31 8.741 9.414 -8.910 1.00 0.00 H new ATOM 0 HA LYS A 31 9.006 9.656 -5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.356 8.984 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.680 9.417 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.081 11.518 -6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.543 11.654 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.256 10.642 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.804 10.756 -8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.596 13.128 -8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.169 12.696 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.679 14.406 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.823 12.988 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.206 13.407 -6.742 1.00 0.00 H new ATOM 475 N LEU A 32 8.020 7.048 -5.966 1.00 0.00 N ATOM 476 CA LEU A 32 8.107 5.591 -5.938 1.00 0.00 C ATOM 477 C LEU A 32 6.750 4.965 -5.624 1.00 0.00 C ATOM 478 O LEU A 32 5.977 5.504 -4.828 1.00 0.00 O ATOM 479 CB LEU A 32 9.146 5.140 -4.908 1.00 0.00 C ATOM 480 CG LEU A 32 10.354 4.397 -5.490 1.00 0.00 C ATOM 481 CD1 LEU A 32 9.913 3.135 -6.217 1.00 0.00 C ATOM 482 CD2 LEU A 32 11.135 5.304 -6.430 1.00 0.00 C ATOM 0 H LEU A 32 7.478 7.453 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 32 8.417 5.253 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.503 6.016 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.657 4.493 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 32 11.005 4.107 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.787 2.624 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.397 2.475 -5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.239 3.401 -7.031 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.989 4.760 -6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.489 5.624 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.487 6.178 -5.883 1.00 0.00 H new ATOM 494 N GLY A 33 6.471 3.825 -6.255 1.00 0.00 N ATOM 495 CA GLY A 33 5.212 3.140 -6.033 1.00 0.00 C ATOM 496 C GLY A 33 5.389 1.828 -5.293 1.00 0.00 C ATOM 497 O GLY A 33 6.053 0.917 -5.789 1.00 0.00 O ATOM 0 H GLY A 33 7.097 3.365 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.545 3.788 -5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.731 2.951 -6.992 1.00 0.00 H new ATOM 501 N ILE A 34 4.795 1.731 -4.105 1.00 0.00 N ATOM 502 CA ILE A 34 4.890 0.520 -3.296 1.00 0.00 C ATOM 503 C ILE A 34 3.698 -0.395 -3.573 1.00 0.00 C ATOM 504 O ILE A 34 2.669 -0.323 -2.900 1.00 0.00 O ATOM 505 CB ILE A 34 4.969 0.848 -1.786 1.00 0.00 C ATOM 506 CG1 ILE A 34 6.267 1.600 -1.473 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.881 -0.422 -0.949 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.331 2.984 -2.081 1.00 0.00 C ATOM 0 H ILE A 34 4.243 2.477 -3.682 1.00 0.00 H new ATOM 0 HA ILE A 34 5.810 0.007 -3.575 1.00 0.00 H new ATOM 0 HB ILE A 34 4.122 1.485 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.377 1.683 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.112 1.014 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.939 -0.165 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.935 -0.925 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.706 -1.086 -1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.278 3.454 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.254 2.909 -3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.507 3.587 -1.700 1.00 0.00 H new ATOM 520 N TYR A 35 3.852 -1.241 -4.584 1.00 0.00 N ATOM 521 CA TYR A 35 2.800 -2.172 -4.986 1.00 0.00 C ATOM 522 C TYR A 35 2.771 -3.409 -4.091 1.00 0.00 C ATOM 523 O TYR A 35 3.657 -3.608 -3.262 1.00 0.00 O ATOM 524 CB TYR A 35 3.005 -2.604 -6.441 1.00 0.00 C ATOM 525 CG TYR A 35 3.144 -1.453 -7.412 1.00 0.00 C ATOM 526 CD1 TYR A 35 4.370 -0.828 -7.613 1.00 0.00 C ATOM 527 CD2 TYR A 35 2.050 -0.993 -8.129 1.00 0.00 C ATOM 528 CE1 TYR A 35 4.497 0.224 -8.501 1.00 0.00 C ATOM 529 CE2 TYR A 35 2.168 0.056 -9.018 1.00 0.00 C ATOM 530 CZ TYR A 35 3.393 0.661 -9.202 1.00 0.00 C ATOM 531 OH TYR A 35 3.515 1.709 -10.087 1.00 0.00 O ATOM 0 H TYR A 35 4.701 -1.303 -5.145 1.00 0.00 H new ATOM 0 HA TYR A 35 1.847 -1.653 -4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.898 -3.227 -6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.162 -3.224 -6.747 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.237 -1.170 -7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.088 -1.464 -7.989 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.455 0.701 -8.645 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.305 0.401 -9.567 1.00 0.00 H new ATOM 0 HH TYR A 35 2.645 1.892 -10.499 1.00 0.00 H new ATOM 541 N VAL A 36 1.750 -4.243 -4.280 1.00 0.00 N ATOM 542 CA VAL A 36 1.603 -5.474 -3.505 1.00 0.00 C ATOM 543 C VAL A 36 2.010 -6.686 -4.338 1.00 0.00 C ATOM 544 O VAL A 36 1.840 -6.694 -5.558 1.00 0.00 O ATOM 545 CB VAL A 36 0.152 -5.669 -3.013 1.00 0.00 C ATOM 546 CG1 VAL A 36 0.049 -6.881 -2.096 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.346 -4.418 -2.305 1.00 0.00 C ATOM 0 H VAL A 36 1.010 -4.088 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 36 2.258 -5.384 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.480 -5.847 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.982 -6.998 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.359 -7.775 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.697 -6.739 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.370 -4.575 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.292 -4.207 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.318 -3.574 -2.994 1.00 0.00 H new ATOM 557 N LYS A 37 2.549 -7.705 -3.674 1.00 0.00 N ATOM 558 CA LYS A 37 2.983 -8.923 -4.356 1.00 0.00 C ATOM 559 C LYS A 37 2.295 -10.164 -3.789 1.00 0.00 C ATOM 560 O LYS A 37 1.968 -11.088 -4.534 1.00 0.00 O ATOM 561 CB LYS A 37 4.502 -9.078 -4.255 1.00 0.00 C ATOM 562 CG LYS A 37 5.023 -9.125 -2.829 1.00 0.00 C ATOM 563 CD LYS A 37 6.519 -9.390 -2.797 1.00 0.00 C ATOM 564 CE LYS A 37 6.831 -10.815 -2.363 1.00 0.00 C ATOM 565 NZ LYS A 37 7.180 -11.689 -3.519 1.00 0.00 N ATOM 0 H LYS A 37 2.696 -7.712 -2.665 1.00 0.00 H new ATOM 0 HA LYS A 37 2.698 -8.830 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.799 -9.992 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.978 -8.248 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.808 -8.180 -2.330 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.501 -9.905 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.941 -9.210 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.998 -8.689 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.659 -10.805 -1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.969 -11.232 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.385 -12.650 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.381 -11.721 -4.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.018 -11.307 -4.002 1.00 0.00 H new ATOM 579 N SER A 38 2.083 -10.190 -2.472 1.00 0.00 N ATOM 580 CA SER A 38 1.441 -11.332 -1.828 1.00 0.00 C ATOM 581 C SER A 38 0.730 -10.914 -0.545 1.00 0.00 C ATOM 582 O SER A 38 1.310 -10.239 0.305 1.00 0.00 O ATOM 583 CB SER A 38 2.475 -12.421 -1.512 1.00 0.00 C ATOM 584 OG SER A 38 3.310 -12.682 -2.629 1.00 0.00 O ATOM 0 H SER A 38 2.345 -9.437 -1.836 1.00 0.00 H new ATOM 0 HA SER A 38 0.700 -11.729 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.086 -12.110 -0.664 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.963 -13.337 -1.217 1.00 0.00 H new ATOM 0 HG SER A 38 3.959 -13.379 -2.397 1.00 0.00 H new ATOM 590 N VAL A 39 -0.526 -11.336 -0.409 1.00 0.00 N ATOM 591 CA VAL A 39 -1.317 -11.023 0.774 1.00 0.00 C ATOM 592 C VAL A 39 -1.506 -12.273 1.627 1.00 0.00 C ATOM 593 O VAL A 39 -2.265 -13.174 1.268 1.00 0.00 O ATOM 594 CB VAL A 39 -2.696 -10.440 0.403 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.417 -9.938 1.647 1.00 0.00 C ATOM 596 CG2 VAL A 39 -2.549 -9.323 -0.622 1.00 0.00 C ATOM 0 H VAL A 39 -1.016 -11.896 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.771 -10.269 1.341 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.295 -11.234 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.388 -9.530 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.559 -10.764 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.821 -9.160 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.533 -8.925 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.930 -8.527 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.078 -9.716 -1.523 1.00 0.00 H new ATOM 606 N VAL A 40 -0.799 -12.322 2.752 1.00 0.00 N ATOM 607 CA VAL A 40 -0.871 -13.465 3.660 1.00 0.00 C ATOM 608 C VAL A 40 -2.237 -13.554 4.335 1.00 0.00 C ATOM 609 O VAL A 40 -2.776 -12.551 4.805 1.00 0.00 O ATOM 610 CB VAL A 40 0.221 -13.396 4.752 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.344 -14.730 5.472 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.560 -12.980 4.158 1.00 0.00 C ATOM 0 H VAL A 40 -0.168 -11.582 3.058 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.710 -14.354 3.050 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.075 -12.640 5.479 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.118 -14.661 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.608 -14.980 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.611 -15.507 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.311 -12.939 4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.865 -13.706 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.464 -11.997 3.697 1.00 0.00 H new ATOM 622 N LYS A 41 -2.787 -14.765 4.384 1.00 0.00 N ATOM 623 CA LYS A 41 -4.087 -14.995 5.006 1.00 0.00 C ATOM 624 C LYS A 41 -4.003 -14.836 6.522 1.00 0.00 C ATOM 625 O LYS A 41 -2.977 -15.141 7.131 1.00 0.00 O ATOM 626 CB LYS A 41 -4.599 -16.397 4.664 1.00 0.00 C ATOM 627 CG LYS A 41 -5.966 -16.403 4.000 1.00 0.00 C ATOM 628 CD LYS A 41 -7.086 -16.360 5.027 1.00 0.00 C ATOM 629 CE LYS A 41 -8.399 -16.856 4.442 1.00 0.00 C ATOM 630 NZ LYS A 41 -9.253 -15.736 3.959 1.00 0.00 N ATOM 0 H LYS A 41 -2.351 -15.603 3.999 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.782 -14.252 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.882 -16.885 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.646 -16.990 5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.051 -15.546 3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.069 -17.297 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.816 -16.972 5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.210 -15.339 5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.194 -17.537 3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.941 -17.425 5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.800 -16.048 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.905 -15.446 4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.651 -14.931 3.693 1.00 0.00 H new ATOM 644 N GLY A 42 -5.092 -14.362 7.123 1.00 0.00 N ATOM 645 CA GLY A 42 -5.124 -14.176 8.566 1.00 0.00 C ATOM 646 C GLY A 42 -4.834 -12.745 8.993 1.00 0.00 C ATOM 647 O GLY A 42 -5.090 -12.377 10.141 1.00 0.00 O ATOM 0 H GLY A 42 -5.952 -14.104 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.104 -14.469 8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.394 -14.841 9.028 1.00 0.00 H new ATOM 651 N GLY A 43 -4.304 -11.935 8.074 1.00 0.00 N ATOM 652 CA GLY A 43 -3.996 -10.553 8.394 1.00 0.00 C ATOM 653 C GLY A 43 -5.240 -9.687 8.510 1.00 0.00 C ATOM 654 O GLY A 43 -6.327 -10.187 8.797 1.00 0.00 O ATOM 0 H GLY A 43 -4.084 -12.213 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.444 -10.516 9.333 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.343 -10.143 7.624 1.00 0.00 H new ATOM 658 N ALA A 44 -5.077 -8.386 8.289 1.00 0.00 N ATOM 659 CA ALA A 44 -6.193 -7.445 8.373 1.00 0.00 C ATOM 660 C ALA A 44 -6.854 -7.237 7.010 1.00 0.00 C ATOM 661 O ALA A 44 -8.080 -7.177 6.909 1.00 0.00 O ATOM 662 CB ALA A 44 -5.718 -6.113 8.936 1.00 0.00 C ATOM 0 H ALA A 44 -4.183 -7.957 8.050 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.939 -7.871 9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.559 -5.422 8.993 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.305 -6.266 9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.949 -5.696 8.285 1.00 0.00 H new ATOM 668 N ALA A 45 -6.032 -7.121 5.967 1.00 0.00 N ATOM 669 CA ALA A 45 -6.528 -6.910 4.607 1.00 0.00 C ATOM 670 C ALA A 45 -7.202 -8.162 4.040 1.00 0.00 C ATOM 671 O ALA A 45 -8.151 -8.063 3.260 1.00 0.00 O ATOM 672 CB ALA A 45 -5.389 -6.468 3.702 1.00 0.00 C ATOM 0 H ALA A 45 -5.016 -7.170 6.039 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.284 -6.126 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.767 -6.313 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.966 -5.537 4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.617 -7.237 3.687 1.00 0.00 H new ATOM 678 N ASP A 46 -6.706 -9.337 4.423 1.00 0.00 N ATOM 679 CA ASP A 46 -7.263 -10.598 3.937 1.00 0.00 C ATOM 680 C ASP A 46 -8.642 -10.882 4.540 1.00 0.00 C ATOM 681 O ASP A 46 -9.525 -11.398 3.855 1.00 0.00 O ATOM 682 CB ASP A 46 -6.313 -11.757 4.248 1.00 0.00 C ATOM 683 CG ASP A 46 -6.460 -12.908 3.268 1.00 0.00 C ATOM 684 OD1 ASP A 46 -7.519 -13.572 3.281 1.00 0.00 O ATOM 685 OD2 ASP A 46 -5.514 -13.144 2.486 1.00 0.00 O ATOM 0 H ASP A 46 -5.922 -9.442 5.067 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.381 -10.505 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.285 -11.395 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.504 -12.118 5.259 1.00 0.00 H new ATOM 690 N VAL A 47 -8.821 -10.556 5.821 1.00 0.00 N ATOM 691 CA VAL A 47 -10.097 -10.796 6.498 1.00 0.00 C ATOM 692 C VAL A 47 -11.213 -9.927 5.918 1.00 0.00 C ATOM 693 O VAL A 47 -12.262 -10.436 5.519 1.00 0.00 O ATOM 694 CB VAL A 47 -10.002 -10.541 8.020 1.00 0.00 C ATOM 695 CG1 VAL A 47 -11.326 -10.856 8.704 1.00 0.00 C ATOM 696 CG2 VAL A 47 -8.875 -11.356 8.642 1.00 0.00 C ATOM 0 H VAL A 47 -8.104 -10.128 6.407 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.335 -11.847 6.331 1.00 0.00 H new ATOM 0 HB VAL A 47 -9.779 -9.484 8.168 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.236 -10.669 9.774 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.110 -10.222 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.581 -11.903 8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.831 -11.158 9.713 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.060 -12.417 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.927 -11.077 8.182 1.00 0.00 H new ATOM 706 N ASP A 48 -10.985 -8.616 5.881 1.00 0.00 N ATOM 707 CA ASP A 48 -11.980 -7.680 5.355 1.00 0.00 C ATOM 708 C ASP A 48 -12.242 -7.931 3.869 1.00 0.00 C ATOM 709 O ASP A 48 -13.394 -8.066 3.451 1.00 0.00 O ATOM 710 CB ASP A 48 -11.526 -6.232 5.574 1.00 0.00 C ATOM 711 CG ASP A 48 -11.263 -5.915 7.036 1.00 0.00 C ATOM 712 OD1 ASP A 48 -12.068 -6.340 7.894 1.00 0.00 O ATOM 713 OD2 ASP A 48 -10.253 -5.239 7.324 1.00 0.00 O ATOM 0 H ASP A 48 -10.124 -8.177 6.207 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.911 -7.843 5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.619 -6.049 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.289 -5.554 5.191 1.00 0.00 H new ATOM 718 N GLY A 49 -11.170 -8.004 3.079 1.00 0.00 N ATOM 719 CA GLY A 49 -11.310 -8.251 1.652 1.00 0.00 C ATOM 720 C GLY A 49 -11.451 -6.978 0.835 1.00 0.00 C ATOM 721 O GLY A 49 -12.511 -6.715 0.265 1.00 0.00 O ATOM 0 H GLY A 49 -10.209 -7.897 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.441 -8.807 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.183 -8.882 1.483 1.00 0.00 H new ATOM 725 N ARG A 50 -10.376 -6.193 0.765 1.00 0.00 N ATOM 726 CA ARG A 50 -10.377 -4.948 -0.003 1.00 0.00 C ATOM 727 C ARG A 50 -9.006 -4.705 -0.639 1.00 0.00 C ATOM 728 O ARG A 50 -8.570 -3.561 -0.782 1.00 0.00 O ATOM 729 CB ARG A 50 -10.765 -3.763 0.891 1.00 0.00 C ATOM 730 CG ARG A 50 -12.261 -3.652 1.154 1.00 0.00 C ATOM 731 CD ARG A 50 -13.017 -3.196 -0.086 1.00 0.00 C ATOM 732 NE ARG A 50 -14.454 -3.060 0.162 1.00 0.00 N ATOM 733 CZ ARG A 50 -15.003 -2.072 0.877 1.00 0.00 C ATOM 734 NH1 ARG A 50 -14.239 -1.132 1.429 1.00 0.00 N ATOM 735 NH2 ARG A 50 -16.321 -2.025 1.042 1.00 0.00 N ATOM 0 H ARG A 50 -9.492 -6.398 1.231 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.116 -5.040 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.244 -3.854 1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.419 -2.840 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.646 -4.618 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.437 -2.948 1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.616 -2.240 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.855 -3.912 -0.892 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.076 -3.764 -0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.227 -1.162 1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.666 -0.382 1.973 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.913 -2.742 0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.740 -1.272 1.587 1.00 0.00 H new ATOM 749 N LEU A 51 -8.333 -5.795 -1.022 1.00 0.00 N ATOM 750 CA LEU A 51 -7.013 -5.710 -1.645 1.00 0.00 C ATOM 751 C LEU A 51 -6.758 -6.903 -2.565 1.00 0.00 C ATOM 752 O LEU A 51 -7.576 -7.822 -2.649 1.00 0.00 O ATOM 753 CB LEU A 51 -5.921 -5.650 -0.573 1.00 0.00 C ATOM 754 CG LEU A 51 -5.489 -4.241 -0.166 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.909 -4.250 1.239 1.00 0.00 C ATOM 756 CD2 LEU A 51 -4.482 -3.679 -1.161 1.00 0.00 C ATOM 0 H LEU A 51 -8.683 -6.746 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.987 -4.799 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.275 -6.175 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.047 -6.191 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.367 -3.596 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.606 -3.240 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.662 -4.607 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.042 -4.910 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.187 -2.676 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.603 -4.322 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.934 -3.636 -2.152 1.00 0.00 H new ATOM 768 N ALA A 52 -5.611 -6.880 -3.247 1.00 0.00 N ATOM 769 CA ALA A 52 -5.231 -7.956 -4.159 1.00 0.00 C ATOM 770 C ALA A 52 -3.756 -7.856 -4.543 1.00 0.00 C ATOM 771 O ALA A 52 -3.228 -6.757 -4.722 1.00 0.00 O ATOM 772 CB ALA A 52 -6.102 -7.931 -5.406 1.00 0.00 C ATOM 0 H ALA A 52 -4.929 -6.125 -3.183 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.385 -8.903 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.805 -8.739 -6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.147 -8.060 -5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.980 -6.976 -5.916 1.00 0.00 H new ATOM 778 N ALA A 53 -3.096 -9.008 -4.668 1.00 0.00 N ATOM 779 CA ALA A 53 -1.682 -9.041 -5.034 1.00 0.00 C ATOM 780 C ALA A 53 -1.465 -8.455 -6.428 1.00 0.00 C ATOM 781 O ALA A 53 -2.072 -8.905 -7.401 1.00 0.00 O ATOM 782 CB ALA A 53 -1.143 -10.463 -4.965 1.00 0.00 C ATOM 0 H ALA A 53 -3.517 -9.926 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.134 -8.428 -4.318 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.089 -10.466 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.254 -10.845 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.700 -11.097 -5.654 1.00 0.00 H new ATOM 788 N GLY A 54 -0.602 -7.445 -6.514 1.00 0.00 N ATOM 789 CA GLY A 54 -0.323 -6.803 -7.789 1.00 0.00 C ATOM 790 C GLY A 54 -1.050 -5.475 -7.941 1.00 0.00 C ATOM 791 O GLY A 54 -1.381 -5.067 -9.056 1.00 0.00 O ATOM 0 H GLY A 54 -0.090 -7.059 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.751 -6.639 -7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.616 -7.470 -8.600 1.00 0.00 H new ATOM 795 N ASP A 55 -1.298 -4.803 -6.815 1.00 0.00 N ATOM 796 CA ASP A 55 -1.992 -3.517 -6.817 1.00 0.00 C ATOM 797 C ASP A 55 -1.074 -2.404 -6.313 1.00 0.00 C ATOM 798 O ASP A 55 -0.075 -2.672 -5.643 1.00 0.00 O ATOM 799 CB ASP A 55 -3.250 -3.597 -5.946 1.00 0.00 C ATOM 800 CG ASP A 55 -4.386 -4.354 -6.614 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.108 -5.302 -7.380 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.558 -4.000 -6.365 1.00 0.00 O ATOM 0 H ASP A 55 -1.027 -5.131 -5.888 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.282 -3.285 -7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.002 -4.083 -5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.584 -2.588 -5.706 1.00 0.00 H new ATOM 807 N GLN A 56 -1.414 -1.156 -6.645 1.00 0.00 N ATOM 808 CA GLN A 56 -0.609 -0.004 -6.234 1.00 0.00 C ATOM 809 C GLN A 56 -1.154 0.654 -4.964 1.00 0.00 C ATOM 810 O GLN A 56 -2.344 0.561 -4.661 1.00 0.00 O ATOM 811 CB GLN A 56 -0.546 1.034 -7.361 1.00 0.00 C ATOM 812 CG GLN A 56 0.410 2.183 -7.072 1.00 0.00 C ATOM 813 CD GLN A 56 0.802 2.964 -8.314 1.00 0.00 C ATOM 814 OE1 GLN A 56 0.352 2.668 -9.422 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.648 3.971 -8.132 1.00 0.00 N ATOM 0 H GLN A 56 -2.239 -0.918 -7.196 1.00 0.00 H new ATOM 0 HA GLN A 56 0.393 -0.375 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -0.240 0.540 -8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.545 1.436 -7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.054 2.861 -6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.310 1.788 -6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.996 4.182 -7.197 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.950 4.534 -8.927 1.00 0.00 H new ATOM 824 N LEU A 57 -0.264 1.330 -4.234 1.00 0.00 N ATOM 825 CA LEU A 57 -0.629 2.024 -3.002 1.00 0.00 C ATOM 826 C LEU A 57 -0.213 3.493 -3.076 1.00 0.00 C ATOM 827 O LEU A 57 0.957 3.824 -2.876 1.00 0.00 O ATOM 828 CB LEU A 57 0.041 1.352 -1.799 1.00 0.00 C ATOM 829 CG LEU A 57 -0.882 0.510 -0.916 1.00 0.00 C ATOM 830 CD1 LEU A 57 -1.663 -0.495 -1.753 1.00 0.00 C ATOM 831 CD2 LEU A 57 -0.074 -0.199 0.160 1.00 0.00 C ATOM 0 H LEU A 57 0.723 1.410 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.711 1.971 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.847 0.715 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.500 2.125 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.599 1.174 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.312 -1.082 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.268 0.036 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.968 -1.159 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.741 -0.795 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.664 -0.850 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.435 0.540 0.779 1.00 0.00 H new ATOM 843 N LEU A 58 -1.173 4.369 -3.373 1.00 0.00 N ATOM 844 CA LEU A 58 -0.895 5.802 -3.480 1.00 0.00 C ATOM 845 C LEU A 58 -0.575 6.408 -2.113 1.00 0.00 C ATOM 846 O LEU A 58 0.509 6.956 -1.908 1.00 0.00 O ATOM 847 CB LEU A 58 -2.083 6.538 -4.110 1.00 0.00 C ATOM 848 CG LEU A 58 -1.828 7.132 -5.500 1.00 0.00 C ATOM 849 CD1 LEU A 58 -0.599 8.031 -5.491 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.679 6.028 -6.538 1.00 0.00 C ATOM 0 H LEU A 58 -2.146 4.114 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.022 5.921 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.922 5.846 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.387 7.342 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.690 7.742 -5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.440 8.440 -6.489 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.750 8.847 -4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.274 7.451 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.499 6.471 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.839 5.387 -6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.592 5.434 -6.571 1.00 0.00 H new ATOM 862 N SER A 59 -1.526 6.308 -1.183 1.00 0.00 N ATOM 863 CA SER A 59 -1.345 6.850 0.162 1.00 0.00 C ATOM 864 C SER A 59 -1.910 5.902 1.216 1.00 0.00 C ATOM 865 O SER A 59 -2.750 5.051 0.916 1.00 0.00 O ATOM 866 CB SER A 59 -2.015 8.220 0.280 1.00 0.00 C ATOM 867 OG SER A 59 -1.307 9.200 -0.458 1.00 0.00 O ATOM 0 H SER A 59 -2.428 5.857 -1.337 1.00 0.00 H new ATOM 0 HA SER A 59 -0.275 6.961 0.337 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.041 8.159 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.064 8.515 1.328 1.00 0.00 H new ATOM 0 HG SER A 59 -1.757 10.066 -0.367 1.00 0.00 H new ATOM 873 N VAL A 60 -1.438 6.056 2.452 1.00 0.00 N ATOM 874 CA VAL A 60 -1.887 5.217 3.557 1.00 0.00 C ATOM 875 C VAL A 60 -2.229 6.062 4.781 1.00 0.00 C ATOM 876 O VAL A 60 -1.402 6.841 5.260 1.00 0.00 O ATOM 877 CB VAL A 60 -0.816 4.178 3.940 1.00 0.00 C ATOM 878 CG1 VAL A 60 -1.344 3.225 5.005 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.356 3.416 2.704 1.00 0.00 C ATOM 0 H VAL A 60 -0.743 6.756 2.712 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.782 4.695 3.220 1.00 0.00 H new ATOM 0 HB VAL A 60 0.043 4.702 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.571 2.500 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.619 3.791 5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.220 2.702 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.401 2.685 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.207 2.902 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.067 4.115 1.982 1.00 0.00 H new ATOM 889 N ASP A 61 -3.458 5.902 5.274 1.00 0.00 N ATOM 890 CA ASP A 61 -3.931 6.648 6.438 1.00 0.00 C ATOM 891 C ASP A 61 -3.809 8.158 6.210 1.00 0.00 C ATOM 892 O ASP A 61 -3.592 8.922 7.152 1.00 0.00 O ATOM 893 CB ASP A 61 -3.147 6.230 7.688 1.00 0.00 C ATOM 894 CG ASP A 61 -3.852 6.615 8.975 1.00 0.00 C ATOM 895 OD1 ASP A 61 -5.030 6.233 9.144 1.00 0.00 O ATOM 896 OD2 ASP A 61 -3.227 7.298 9.814 1.00 0.00 O ATOM 0 H ASP A 61 -4.146 5.259 4.882 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.985 6.415 6.588 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.993 5.151 7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.161 6.694 7.666 1.00 0.00 H new ATOM 901 N GLY A 62 -3.951 8.580 4.950 1.00 0.00 N ATOM 902 CA GLY A 62 -3.851 9.991 4.618 1.00 0.00 C ATOM 903 C GLY A 62 -2.548 10.617 5.091 1.00 0.00 C ATOM 904 O GLY A 62 -2.528 11.780 5.497 1.00 0.00 O ATOM 0 H GLY A 62 -4.133 7.967 4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.936 10.112 3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.689 10.525 5.066 1.00 0.00 H new ATOM 908 N ARG A 63 -1.458 9.846 5.043 1.00 0.00 N ATOM 909 CA ARG A 63 -0.151 10.342 5.476 1.00 0.00 C ATOM 910 C ARG A 63 0.738 10.720 4.293 1.00 0.00 C ATOM 911 O ARG A 63 1.944 10.912 4.453 1.00 0.00 O ATOM 912 CB ARG A 63 0.555 9.291 6.329 1.00 0.00 C ATOM 913 CG ARG A 63 0.646 9.660 7.799 1.00 0.00 C ATOM 914 CD ARG A 63 1.251 8.531 8.617 1.00 0.00 C ATOM 915 NE ARG A 63 1.550 8.948 9.986 1.00 0.00 N ATOM 916 CZ ARG A 63 2.577 9.732 10.323 1.00 0.00 C ATOM 917 NH1 ARG A 63 3.403 10.201 9.389 1.00 0.00 N ATOM 918 NH2 ARG A 63 2.775 10.050 11.597 1.00 0.00 N ATOM 0 H ARG A 63 -1.455 8.882 4.711 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.326 11.242 6.066 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.026 8.343 6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.561 9.135 5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.251 10.559 7.913 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.348 9.895 8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.561 7.687 8.637 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.165 8.184 8.136 1.00 0.00 H new ATOM 0 HE ARG A 63 0.935 8.619 10.731 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.253 9.962 8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.185 10.799 9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.143 9.696 12.315 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.559 10.649 11.857 1.00 0.00 H new ATOM 932 N SER A 64 0.132 10.831 3.114 1.00 0.00 N ATOM 933 CA SER A 64 0.854 11.190 1.893 1.00 0.00 C ATOM 934 C SER A 64 2.091 10.310 1.697 1.00 0.00 C ATOM 935 O SER A 64 3.190 10.657 2.134 1.00 0.00 O ATOM 936 CB SER A 64 1.262 12.663 1.938 1.00 0.00 C ATOM 937 OG SER A 64 0.477 13.437 1.050 1.00 0.00 O ATOM 0 H SER A 64 -0.867 10.676 2.976 1.00 0.00 H new ATOM 0 HA SER A 64 0.186 11.026 1.048 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.150 13.044 2.953 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.316 12.760 1.676 1.00 0.00 H new ATOM 0 HG SER A 64 0.757 14.375 1.099 1.00 0.00 H new ATOM 943 N LEU A 65 1.904 9.167 1.041 1.00 0.00 N ATOM 944 CA LEU A 65 3.007 8.242 0.793 1.00 0.00 C ATOM 945 C LEU A 65 3.353 8.176 -0.696 1.00 0.00 C ATOM 946 O LEU A 65 3.252 7.119 -1.323 1.00 0.00 O ATOM 947 CB LEU A 65 2.659 6.848 1.323 1.00 0.00 C ATOM 948 CG LEU A 65 3.252 6.515 2.691 1.00 0.00 C ATOM 949 CD1 LEU A 65 2.626 5.248 3.249 1.00 0.00 C ATOM 950 CD2 LEU A 65 4.764 6.368 2.599 1.00 0.00 C ATOM 0 H LEU A 65 1.003 8.860 0.673 1.00 0.00 H new ATOM 0 HA LEU A 65 3.884 8.613 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.574 6.757 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.003 6.105 0.603 1.00 0.00 H new ATOM 0 HG LEU A 65 3.029 7.338 3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.061 5.026 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.550 5.390 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.817 4.418 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.167 6.131 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.010 5.566 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.199 7.302 2.244 1.00 0.00 H new ATOM 962 N VAL A 66 3.768 9.313 -1.254 1.00 0.00 N ATOM 963 CA VAL A 66 4.138 9.384 -2.664 1.00 0.00 C ATOM 964 C VAL A 66 5.496 10.056 -2.839 1.00 0.00 C ATOM 965 O VAL A 66 5.605 11.285 -2.830 1.00 0.00 O ATOM 966 CB VAL A 66 3.072 10.128 -3.494 1.00 0.00 C ATOM 967 CG1 VAL A 66 3.561 10.372 -4.917 1.00 0.00 C ATOM 968 CG2 VAL A 66 1.778 9.332 -3.501 1.00 0.00 C ATOM 0 H VAL A 66 3.856 10.196 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 66 4.202 8.360 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 66 2.888 11.099 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.791 10.898 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.468 10.976 -4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.774 9.417 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.028 9.862 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.957 8.351 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.419 9.212 -2.479 1.00 0.00 H new ATOM 978 N GLY A 67 6.528 9.232 -2.994 1.00 0.00 N ATOM 979 CA GLY A 67 7.880 9.741 -3.166 1.00 0.00 C ATOM 980 C GLY A 67 8.878 9.086 -2.227 1.00 0.00 C ATOM 981 O GLY A 67 10.071 9.027 -2.527 1.00 0.00 O ATOM 0 H GLY A 67 6.453 8.215 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.196 9.579 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.882 10.818 -2.998 1.00 0.00 H new ATOM 985 N LEU A 68 8.391 8.592 -1.087 1.00 0.00 N ATOM 986 CA LEU A 68 9.250 7.937 -0.104 1.00 0.00 C ATOM 987 C LEU A 68 9.822 6.631 -0.649 1.00 0.00 C ATOM 988 O LEU A 68 9.469 6.188 -1.744 1.00 0.00 O ATOM 989 CB LEU A 68 8.469 7.654 1.183 1.00 0.00 C ATOM 990 CG LEU A 68 7.958 8.889 1.926 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.204 8.481 3.183 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.112 9.819 2.273 1.00 0.00 C ATOM 0 H LEU A 68 7.406 8.634 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 68 10.077 8.614 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.617 7.020 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.108 7.084 1.857 1.00 0.00 H new ATOM 0 HG LEU A 68 7.270 9.425 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.848 9.373 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.354 7.855 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.869 7.922 3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.729 10.692 2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.824 9.293 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.610 10.138 1.357 1.00 0.00 H new ATOM 1004 N SER A 69 10.704 6.014 0.133 1.00 0.00 N ATOM 1005 CA SER A 69 11.327 4.754 -0.253 1.00 0.00 C ATOM 1006 C SER A 69 10.486 3.566 0.204 1.00 0.00 C ATOM 1007 O SER A 69 9.622 3.701 1.074 1.00 0.00 O ATOM 1008 CB SER A 69 12.733 4.652 0.345 1.00 0.00 C ATOM 1009 OG SER A 69 13.555 5.719 -0.096 1.00 0.00 O ATOM 0 H SER A 69 11.003 6.369 1.041 1.00 0.00 H new ATOM 0 HA SER A 69 11.396 4.732 -1.341 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.670 4.663 1.433 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.184 3.701 0.062 1.00 0.00 H new ATOM 0 HG SER A 69 14.446 5.631 0.302 1.00 0.00 H new ATOM 1015 N GLN A 70 10.754 2.401 -0.387 1.00 0.00 N ATOM 1016 CA GLN A 70 10.038 1.171 -0.051 1.00 0.00 C ATOM 1017 C GLN A 70 10.058 0.902 1.458 1.00 0.00 C ATOM 1018 O GLN A 70 9.142 0.276 1.993 1.00 0.00 O ATOM 1019 CB GLN A 70 10.658 -0.010 -0.806 1.00 0.00 C ATOM 1020 CG GLN A 70 9.989 -1.346 -0.525 1.00 0.00 C ATOM 1021 CD GLN A 70 10.229 -2.367 -1.622 1.00 0.00 C ATOM 1022 OE1 GLN A 70 10.893 -2.087 -2.621 1.00 0.00 O ATOM 1023 NE2 GLN A 70 9.692 -3.562 -1.437 1.00 0.00 N ATOM 0 H GLN A 70 11.468 2.284 -1.106 1.00 0.00 H new ATOM 0 HA GLN A 70 8.997 1.291 -0.352 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.609 0.191 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.713 -0.082 -0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.361 -1.741 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.916 -1.192 -0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.149 -3.752 -0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.821 -4.293 -2.137 1.00 0.00 H new ATOM 1032 N GLU A 71 11.104 1.375 2.139 1.00 0.00 N ATOM 1033 CA GLU A 71 11.231 1.178 3.579 1.00 0.00 C ATOM 1034 C GLU A 71 10.331 2.143 4.346 1.00 0.00 C ATOM 1035 O GLU A 71 9.521 1.722 5.170 1.00 0.00 O ATOM 1036 CB GLU A 71 12.683 1.367 4.020 1.00 0.00 C ATOM 1037 CG GLU A 71 13.519 0.100 3.941 1.00 0.00 C ATOM 1038 CD GLU A 71 14.622 0.066 4.980 1.00 0.00 C ATOM 1039 OE1 GLU A 71 14.336 -0.302 6.140 1.00 0.00 O ATOM 1040 OE2 GLU A 71 15.772 0.408 4.635 1.00 0.00 O ATOM 0 H GLU A 71 11.872 1.895 1.715 1.00 0.00 H new ATOM 0 HA GLU A 71 10.919 0.158 3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.144 2.135 3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.696 1.736 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.872 -0.767 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.958 0.020 2.947 1.00 0.00 H new ATOM 1047 N ARG A 72 10.481 3.438 4.070 1.00 0.00 N ATOM 1048 CA ARG A 72 9.683 4.462 4.736 1.00 0.00 C ATOM 1049 C ARG A 72 8.187 4.214 4.541 1.00 0.00 C ATOM 1050 O ARG A 72 7.386 4.487 5.436 1.00 0.00 O ATOM 1051 CB ARG A 72 10.063 5.849 4.209 1.00 0.00 C ATOM 1052 CG ARG A 72 10.720 6.740 5.250 1.00 0.00 C ATOM 1053 CD ARG A 72 11.916 6.061 5.903 1.00 0.00 C ATOM 1054 NE ARG A 72 12.779 7.017 6.599 1.00 0.00 N ATOM 1055 CZ ARG A 72 13.679 6.682 7.527 1.00 0.00 C ATOM 1056 NH1 ARG A 72 13.847 5.411 7.882 1.00 0.00 N ATOM 1057 NH2 ARG A 72 14.419 7.624 8.100 1.00 0.00 N ATOM 0 H ARG A 72 11.148 3.801 3.389 1.00 0.00 H new ATOM 0 HA ARG A 72 9.894 4.414 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.741 5.733 3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.167 6.343 3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.041 7.670 4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.990 7.004 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.564 5.309 6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.495 5.537 5.142 1.00 0.00 H new ATOM 0 HE ARG A 72 12.687 8.004 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.285 4.681 7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.537 5.167 8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.299 8.601 7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.107 7.371 8.809 1.00 0.00 H new ATOM 1071 N ALA A 73 7.816 3.693 3.372 1.00 0.00 N ATOM 1072 CA ALA A 73 6.416 3.407 3.072 1.00 0.00 C ATOM 1073 C ALA A 73 5.905 2.220 3.883 1.00 0.00 C ATOM 1074 O ALA A 73 4.956 2.351 4.656 1.00 0.00 O ATOM 1075 CB ALA A 73 6.230 3.150 1.583 1.00 0.00 C ATOM 0 H ALA A 73 8.465 3.461 2.620 1.00 0.00 H new ATOM 0 HA ALA A 73 5.831 4.283 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.180 2.939 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.539 4.031 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.837 2.296 1.283 1.00 0.00 H new ATOM 1081 N ALA A 74 6.543 1.064 3.702 1.00 0.00 N ATOM 1082 CA ALA A 74 6.154 -0.150 4.418 1.00 0.00 C ATOM 1083 C ALA A 74 6.187 0.064 5.929 1.00 0.00 C ATOM 1084 O ALA A 74 5.236 -0.280 6.632 1.00 0.00 O ATOM 1085 CB ALA A 74 7.061 -1.308 4.029 1.00 0.00 C ATOM 0 H ALA A 74 7.331 0.943 3.066 1.00 0.00 H new ATOM 0 HA ALA A 74 5.130 -0.393 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.759 -2.205 4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.982 -1.488 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.093 -1.063 4.281 1.00 0.00 H new ATOM 1091 N GLU A 75 7.285 0.635 6.422 1.00 0.00 N ATOM 1092 CA GLU A 75 7.438 0.894 7.850 1.00 0.00 C ATOM 1093 C GLU A 75 6.300 1.765 8.379 1.00 0.00 C ATOM 1094 O GLU A 75 5.737 1.484 9.436 1.00 0.00 O ATOM 1095 CB GLU A 75 8.783 1.565 8.134 1.00 0.00 C ATOM 1096 CG GLU A 75 9.369 1.193 9.487 1.00 0.00 C ATOM 1097 CD GLU A 75 10.207 -0.070 9.433 1.00 0.00 C ATOM 1098 OE1 GLU A 75 11.153 -0.123 8.618 1.00 0.00 O ATOM 1099 OE2 GLU A 75 9.917 -1.006 10.207 1.00 0.00 O ATOM 0 H GLU A 75 8.080 0.926 5.853 1.00 0.00 H new ATOM 0 HA GLU A 75 7.404 -0.066 8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.490 1.290 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.659 2.647 8.085 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.983 2.017 9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.560 1.057 10.204 1.00 0.00 H new ATOM 1106 N LEU A 76 5.960 2.821 7.639 1.00 0.00 N ATOM 1107 CA LEU A 76 4.883 3.720 8.045 1.00 0.00 C ATOM 1108 C LEU A 76 3.526 3.017 7.977 1.00 0.00 C ATOM 1109 O LEU A 76 2.661 3.241 8.823 1.00 0.00 O ATOM 1110 CB LEU A 76 4.863 4.972 7.163 1.00 0.00 C ATOM 1111 CG LEU A 76 5.815 6.092 7.595 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.912 7.156 6.511 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.354 6.706 8.910 1.00 0.00 C ATOM 0 H LEU A 76 6.413 3.073 6.760 1.00 0.00 H new ATOM 0 HA LEU A 76 5.070 4.016 9.077 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.110 4.681 6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.847 5.368 7.145 1.00 0.00 H new ATOM 0 HG LEU A 76 6.806 5.664 7.745 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.592 7.944 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.288 6.706 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.925 7.581 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.042 7.500 9.202 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.353 7.120 8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.337 5.938 9.684 1.00 0.00 H new ATOM 1125 N MET A 77 3.348 2.172 6.961 1.00 0.00 N ATOM 1126 CA MET A 77 2.096 1.438 6.774 1.00 0.00 C ATOM 1127 C MET A 77 1.812 0.509 7.953 1.00 0.00 C ATOM 1128 O MET A 77 0.760 0.607 8.582 1.00 0.00 O ATOM 1129 CB MET A 77 2.138 0.630 5.474 1.00 0.00 C ATOM 1130 CG MET A 77 2.091 1.484 4.218 1.00 0.00 C ATOM 1131 SD MET A 77 2.755 0.633 2.773 1.00 0.00 S ATOM 1132 CE MET A 77 1.727 -0.833 2.741 1.00 0.00 C ATOM 0 H MET A 77 4.057 1.979 6.253 1.00 0.00 H new ATOM 0 HA MET A 77 1.291 2.170 6.716 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.048 0.030 5.460 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.298 -0.064 5.462 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.060 1.776 4.021 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.656 2.401 4.386 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.755 -1.276 1.745 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.099 -1.554 3.469 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.701 -0.563 2.989 1.00 0.00 H new ATOM 1142 N THR A 78 2.751 -0.389 8.251 1.00 0.00 N ATOM 1143 CA THR A 78 2.584 -1.323 9.365 1.00 0.00 C ATOM 1144 C THR A 78 2.448 -0.564 10.684 1.00 0.00 C ATOM 1145 O THR A 78 1.663 -0.947 11.554 1.00 0.00 O ATOM 1146 CB THR A 78 3.756 -2.314 9.432 1.00 0.00 C ATOM 1147 OG1 THR A 78 3.747 -3.032 10.654 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.120 -1.665 9.292 1.00 0.00 C ATOM 0 H THR A 78 3.629 -0.490 7.741 1.00 0.00 H new ATOM 0 HA THR A 78 1.670 -1.892 9.196 1.00 0.00 H new ATOM 0 HB THR A 78 3.604 -2.978 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.502 -3.657 10.672 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.894 -2.430 9.350 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.184 -1.156 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.263 -0.942 10.095 1.00 0.00 H new ATOM 1156 N ARG A 79 3.211 0.518 10.819 1.00 0.00 N ATOM 1157 CA ARG A 79 3.177 1.339 12.028 1.00 0.00 C ATOM 1158 C ARG A 79 2.054 2.386 11.965 1.00 0.00 C ATOM 1159 O ARG A 79 2.294 3.578 12.164 1.00 0.00 O ATOM 1160 CB ARG A 79 4.531 2.030 12.238 1.00 0.00 C ATOM 1161 CG ARG A 79 5.684 1.061 12.466 1.00 0.00 C ATOM 1162 CD ARG A 79 6.899 1.758 13.062 1.00 0.00 C ATOM 1163 NE ARG A 79 7.224 3.006 12.368 1.00 0.00 N ATOM 1164 CZ ARG A 79 7.925 4.003 12.915 1.00 0.00 C ATOM 1165 NH1 ARG A 79 8.395 3.895 14.155 1.00 0.00 N ATOM 1166 NH2 ARG A 79 8.160 5.108 12.220 1.00 0.00 N ATOM 0 H ARG A 79 3.861 0.847 10.106 1.00 0.00 H new ATOM 0 HA ARG A 79 2.975 0.680 12.873 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.753 2.647 11.367 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.458 2.701 13.094 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.360 0.261 13.132 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.960 0.595 11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.713 1.969 14.115 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.757 1.087 13.018 1.00 0.00 H new ATOM 0 HE ARG A 79 6.895 3.121 11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.221 3.047 14.694 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.929 4.660 14.566 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.805 5.197 11.268 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.695 5.869 12.638 1.00 0.00 H new ATOM 1180 N THR A 80 0.826 1.933 11.696 1.00 0.00 N ATOM 1181 CA THR A 80 -0.329 2.832 11.621 1.00 0.00 C ATOM 1182 C THR A 80 -1.122 2.820 12.929 1.00 0.00 C ATOM 1183 O THR A 80 -0.775 2.102 13.870 1.00 0.00 O ATOM 1184 CB THR A 80 -1.251 2.435 10.463 1.00 0.00 C ATOM 1185 OG1 THR A 80 -1.283 1.027 10.301 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.847 3.047 9.140 1.00 0.00 C ATOM 0 H THR A 80 0.606 0.951 11.527 1.00 0.00 H new ATOM 0 HA THR A 80 0.051 3.839 11.449 1.00 0.00 H new ATOM 0 HB THR A 80 -2.235 2.818 10.734 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.525 0.744 9.748 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.541 2.725 8.363 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.870 4.134 9.220 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.161 2.723 8.882 1.00 0.00 H new ATOM 1194 N SER A 81 -2.193 3.613 12.977 1.00 0.00 N ATOM 1195 CA SER A 81 -3.045 3.691 14.163 1.00 0.00 C ATOM 1196 C SER A 81 -4.234 2.736 14.040 1.00 0.00 C ATOM 1197 O SER A 81 -4.244 1.852 13.180 1.00 0.00 O ATOM 1198 CB SER A 81 -3.536 5.129 14.364 1.00 0.00 C ATOM 1199 OG SER A 81 -3.631 5.450 15.742 1.00 0.00 O ATOM 0 H SER A 81 -2.491 4.211 12.207 1.00 0.00 H new ATOM 0 HA SER A 81 -2.457 3.393 15.031 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.853 5.822 13.873 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.510 5.253 13.891 1.00 0.00 H new ATOM 0 HG SER A 81 -3.945 6.373 15.842 1.00 0.00 H new ATOM 1205 N SER A 82 -5.238 2.918 14.902 1.00 0.00 N ATOM 1206 CA SER A 82 -6.430 2.073 14.883 1.00 0.00 C ATOM 1207 C SER A 82 -7.085 2.086 13.502 1.00 0.00 C ATOM 1208 O SER A 82 -7.420 1.034 12.957 1.00 0.00 O ATOM 1209 CB SER A 82 -7.432 2.539 15.943 1.00 0.00 C ATOM 1210 OG SER A 82 -7.141 1.965 17.206 1.00 0.00 O ATOM 0 H SER A 82 -5.247 3.642 15.620 1.00 0.00 H new ATOM 0 HA SER A 82 -6.124 1.052 15.110 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.407 3.626 16.019 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.442 2.264 15.639 1.00 0.00 H new ATOM 0 HG SER A 82 -7.794 2.279 17.866 1.00 0.00 H new ATOM 1216 N VAL A 83 -7.259 3.282 12.940 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.867 3.428 11.620 1.00 0.00 C ATOM 1218 C VAL A 83 -6.806 3.368 10.522 1.00 0.00 C ATOM 1219 O VAL A 83 -5.690 3.858 10.696 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.653 4.752 11.493 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.423 4.798 10.180 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.597 4.934 12.673 1.00 0.00 C ATOM 0 H VAL A 83 -6.988 4.162 13.378 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.563 2.598 11.501 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.936 5.573 11.499 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.969 5.739 10.111 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.725 4.722 9.346 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.127 3.966 10.141 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.140 5.873 12.563 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.305 4.106 12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.022 4.954 13.599 1.00 0.00 H new ATOM 1232 N VAL A 84 -7.165 2.761 9.392 1.00 0.00 N ATOM 1233 CA VAL A 84 -6.248 2.635 8.263 1.00 0.00 C ATOM 1234 C VAL A 84 -6.955 2.940 6.946 1.00 0.00 C ATOM 1235 O VAL A 84 -7.810 2.173 6.500 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.631 1.222 8.186 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -4.529 1.179 7.136 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -5.100 0.789 9.545 1.00 0.00 C ATOM 0 H VAL A 84 -8.085 2.349 9.235 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.450 3.360 8.424 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.413 0.522 7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.105 0.176 7.095 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.944 1.438 6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.748 1.893 7.399 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.670 -0.210 9.466 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.333 1.489 9.876 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.916 0.777 10.267 1.00 0.00 H new ATOM 1248 N THR A 85 -6.588 4.062 6.327 1.00 0.00 N ATOM 1249 CA THR A 85 -7.182 4.470 5.056 1.00 0.00 C ATOM 1250 C THR A 85 -6.192 4.262 3.910 1.00 0.00 C ATOM 1251 O THR A 85 -5.483 5.189 3.511 1.00 0.00 O ATOM 1252 CB THR A 85 -7.629 5.936 5.115 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.816 6.358 6.457 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.922 6.194 4.371 1.00 0.00 C ATOM 0 H THR A 85 -5.882 4.704 6.686 1.00 0.00 H new ATOM 0 HA THR A 85 -8.059 3.849 4.874 1.00 0.00 H new ATOM 0 HB THR A 85 -6.828 6.499 4.636 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.099 7.296 6.468 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.183 7.249 4.451 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.797 5.930 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.718 5.589 4.805 1.00 0.00 H new ATOM 1262 N LEU A 86 -6.140 3.035 3.395 1.00 0.00 N ATOM 1263 CA LEU A 86 -5.229 2.693 2.303 1.00 0.00 C ATOM 1264 C LEU A 86 -5.911 2.832 0.943 1.00 0.00 C ATOM 1265 O LEU A 86 -7.059 2.423 0.771 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.711 1.262 2.479 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.304 1.148 3.073 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -3.224 -0.020 4.046 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.272 0.992 1.966 1.00 0.00 C ATOM 0 H LEU A 86 -6.719 2.259 3.717 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.392 3.390 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.404 0.718 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.720 0.767 1.508 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.088 2.065 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.216 -0.083 4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.937 0.132 4.856 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.461 -0.946 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.277 0.912 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.488 0.092 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.310 1.860 1.308 1.00 0.00 H new ATOM 1281 N GLU A 87 -5.189 3.404 -0.022 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.717 3.589 -1.373 1.00 0.00 C ATOM 1283 C GLU A 87 -5.133 2.548 -2.328 1.00 0.00 C ATOM 1284 O GLU A 87 -3.948 2.219 -2.249 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.397 4.997 -1.886 1.00 0.00 C ATOM 1286 CG GLU A 87 -6.431 6.043 -1.511 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.474 7.199 -2.493 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -5.530 8.017 -2.489 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.452 7.285 -3.265 1.00 0.00 O ATOM 0 H GLU A 87 -4.237 3.747 0.108 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.799 3.462 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.427 5.303 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.306 4.965 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.414 5.575 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.211 6.426 -0.514 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.971 2.033 -3.229 1.00 0.00 N ATOM 1297 CA VAL A 88 -5.533 1.028 -4.197 1.00 0.00 C ATOM 1298 C VAL A 88 -5.915 1.425 -5.624 1.00 0.00 C ATOM 1299 O VAL A 88 -7.022 1.908 -5.870 1.00 0.00 O ATOM 1300 CB VAL A 88 -6.127 -0.362 -3.875 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -7.649 -0.338 -3.949 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -5.562 -1.423 -4.810 1.00 0.00 C ATOM 0 H VAL A 88 -6.954 2.295 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.447 0.973 -4.124 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.842 -0.618 -2.855 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.040 -1.329 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.037 0.382 -3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.960 -0.050 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.995 -2.393 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.807 -1.167 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.479 -1.470 -4.695 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.991 1.210 -6.560 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.226 1.535 -7.964 1.00 0.00 C ATOM 1314 C ALA A 89 -5.369 0.263 -8.796 1.00 0.00 C ATOM 1315 O ALA A 89 -4.431 -0.529 -8.900 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.097 2.403 -8.506 1.00 0.00 C ATOM 0 H ALA A 89 -4.072 0.811 -6.370 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.158 2.096 -8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.288 2.636 -9.554 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.042 3.328 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.152 1.866 -8.420 1.00 0.00 H new ATOM 1322 N LYS A 90 -6.552 0.070 -9.382 1.00 0.00 N ATOM 1323 CA LYS A 90 -6.823 -1.112 -10.201 1.00 0.00 C ATOM 1324 C LYS A 90 -5.887 -1.173 -11.407 1.00 0.00 C ATOM 1325 O LYS A 90 -5.867 -0.263 -12.238 1.00 0.00 O ATOM 1326 CB LYS A 90 -8.284 -1.116 -10.663 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.192 -1.966 -9.788 1.00 0.00 C ATOM 1328 CD LYS A 90 -9.370 -1.353 -8.407 1.00 0.00 C ATOM 1329 CE LYS A 90 -10.146 -2.278 -7.481 1.00 0.00 C ATOM 1330 NZ LYS A 90 -11.199 -1.552 -6.717 1.00 0.00 N ATOM 0 H LYS A 90 -7.337 0.717 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.643 -1.995 -9.588 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.657 -0.092 -10.673 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.332 -1.483 -11.688 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.165 -2.073 -10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.772 -2.967 -9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.393 -1.140 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.894 -0.401 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.607 -3.073 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.456 -2.754 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.703 -2.220 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.758 -0.810 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.873 -1.119 -7.380 1.00 0.00 H new ATOM 1344 N GLN A 91 -5.111 -2.254 -11.490 1.00 0.00 N ATOM 1345 CA GLN A 91 -4.163 -2.443 -12.587 1.00 0.00 C ATOM 1346 C GLN A 91 -4.602 -3.587 -13.505 1.00 0.00 C ATOM 1347 O GLN A 91 -5.699 -4.130 -13.359 1.00 0.00 O ATOM 1348 CB GLN A 91 -2.763 -2.724 -12.026 1.00 0.00 C ATOM 1349 CG GLN A 91 -1.794 -1.564 -12.198 1.00 0.00 C ATOM 1350 CD GLN A 91 -1.469 -0.870 -10.888 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -1.690 0.332 -10.739 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -0.941 -1.624 -9.931 1.00 0.00 N ATOM 0 H GLN A 91 -5.121 -3.013 -10.809 1.00 0.00 H new ATOM 0 HA GLN A 91 -4.137 -1.527 -13.177 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.847 -2.962 -10.966 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.353 -3.605 -12.519 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.872 -1.931 -12.648 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.221 -0.840 -12.892 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.775 -2.617 -10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.702 -1.211 -9.030 1.00 0.00 H new ATOM 1361 N GLY A 92 -3.731 -3.951 -14.450 1.00 0.00 N ATOM 1362 CA GLY A 92 -4.039 -5.030 -15.375 1.00 0.00 C ATOM 1363 C GLY A 92 -3.748 -6.410 -14.823 1.00 0.00 C ATOM 1364 O GLY A 92 -3.914 -7.418 -15.510 1.00 0.00 O ATOM 0 H GLY A 92 -2.819 -3.517 -14.589 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.093 -4.973 -15.648 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.465 -4.886 -16.290 1.00 0.00 H new ATOM 1368 N ALA A 93 -3.324 -6.437 -13.582 1.00 0.00 N ATOM 1369 CA ALA A 93 -3.006 -7.683 -12.887 1.00 0.00 C ATOM 1370 C ALA A 93 -4.273 -8.480 -12.572 1.00 0.00 C ATOM 1371 O ALA A 93 -4.160 -9.706 -12.357 1.00 0.00 O ATOM 1372 CB ALA A 93 -2.238 -7.394 -11.605 1.00 0.00 C ATOM 1373 OXT ALA A 93 -5.366 -7.873 -12.537 1.00 0.00 O ATOM 0 H ALA A 93 -3.186 -5.600 -13.016 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.382 -8.284 -13.548 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.009 -8.332 -11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.310 -6.875 -11.846 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.845 -6.768 -10.951 1.00 0.00 H new TER 1379 ALA A 93 ATOM 1380 N LEU B 99 13.232 -2.052 -5.712 1.00 0.00 N ATOM 1381 CA LEU B 99 12.638 -3.280 -6.306 1.00 0.00 C ATOM 1382 C LEU B 99 12.926 -4.504 -5.434 1.00 0.00 C ATOM 1383 O LEU B 99 13.781 -5.329 -5.761 1.00 0.00 O ATOM 1384 CB LEU B 99 13.216 -3.465 -7.716 1.00 0.00 C ATOM 1385 CG LEU B 99 12.707 -4.690 -8.480 1.00 0.00 C ATOM 1386 CD1 LEU B 99 11.307 -4.444 -9.026 1.00 0.00 C ATOM 1387 CD2 LEU B 99 13.668 -5.050 -9.605 1.00 0.00 C ATOM 0 HA LEU B 99 11.555 -3.173 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU B 99 12.991 -2.574 -8.302 1.00 0.00 H new ATOM 0 HB3 LEU B 99 14.301 -3.531 -7.639 1.00 0.00 H new ATOM 0 HG LEU B 99 12.656 -5.530 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU B 99 10.966 -5.328 -9.565 1.00 0.00 H new ATOM 0 HD12 LEU B 99 10.626 -4.237 -8.201 1.00 0.00 H new ATOM 0 HD13 LEU B 99 11.326 -3.591 -9.704 1.00 0.00 H new ATOM 0 HD21 LEU B 99 13.292 -5.923 -10.139 1.00 0.00 H new ATOM 0 HD22 LEU B 99 13.751 -4.210 -10.295 1.00 0.00 H new ATOM 0 HD23 LEU B 99 14.649 -5.275 -9.187 1.00 0.00 H new ATOM 1401 N PHE B 100 12.206 -4.608 -4.318 1.00 0.00 N ATOM 1402 CA PHE B 100 12.374 -5.723 -3.387 1.00 0.00 C ATOM 1403 C PHE B 100 11.020 -6.159 -2.829 1.00 0.00 C ATOM 1404 O PHE B 100 9.977 -5.706 -3.300 1.00 0.00 O ATOM 1405 CB PHE B 100 13.319 -5.325 -2.244 1.00 0.00 C ATOM 1406 CG PHE B 100 14.588 -4.658 -2.708 1.00 0.00 C ATOM 1407 CD1 PHE B 100 15.591 -5.392 -3.324 1.00 0.00 C ATOM 1408 CD2 PHE B 100 14.776 -3.296 -2.528 1.00 0.00 C ATOM 1409 CE1 PHE B 100 16.754 -4.780 -3.751 1.00 0.00 C ATOM 1410 CE2 PHE B 100 15.938 -2.679 -2.953 1.00 0.00 C ATOM 1411 CZ PHE B 100 16.928 -3.422 -3.565 1.00 0.00 C ATOM 0 H PHE B 100 11.498 -3.930 -4.036 1.00 0.00 H new ATOM 0 HA PHE B 100 12.814 -6.562 -3.926 1.00 0.00 H new ATOM 0 HB2 PHE B 100 12.792 -4.652 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE B 100 13.576 -6.216 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE B 100 15.461 -6.454 -3.472 1.00 0.00 H new ATOM 0 HD2 PHE B 100 14.005 -2.710 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE B 100 17.527 -5.363 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE B 100 16.071 -1.617 -2.807 1.00 0.00 H new ATOM 0 HZ PHE B 100 17.837 -2.942 -3.898 1.00 0.00 H new ATOM 1421 N SER B 101 11.033 -7.036 -1.825 1.00 0.00 N ATOM 1422 CA SER B 101 9.792 -7.518 -1.220 1.00 0.00 C ATOM 1423 C SER B 101 9.853 -7.455 0.304 1.00 0.00 C ATOM 1424 O SER B 101 10.590 -8.213 0.937 1.00 0.00 O ATOM 1425 CB SER B 101 9.497 -8.951 -1.671 1.00 0.00 C ATOM 1426 OG SER B 101 10.687 -9.715 -1.782 1.00 0.00 O ATOM 0 H SER B 101 11.883 -7.425 -1.416 1.00 0.00 H new ATOM 0 HA SER B 101 8.987 -6.864 -1.556 1.00 0.00 H new ATOM 0 HB2 SER B 101 8.823 -9.427 -0.959 1.00 0.00 H new ATOM 0 HB3 SER B 101 8.984 -8.933 -2.632 1.00 0.00 H new ATOM 0 HG SER B 101 10.466 -10.625 -2.070 1.00 0.00 H new ATOM 1432 N THR B 102 9.065 -6.552 0.885 1.00 0.00 N ATOM 1433 CA THR B 102 9.015 -6.388 2.338 1.00 0.00 C ATOM 1434 C THR B 102 7.816 -7.136 2.920 1.00 0.00 C ATOM 1435 O THR B 102 7.207 -7.968 2.244 1.00 0.00 O ATOM 1436 CB THR B 102 8.914 -4.902 2.703 1.00 0.00 C ATOM 1437 OG1 THR B 102 7.606 -4.417 2.443 1.00 0.00 O ATOM 1438 CG2 THR B 102 9.885 -4.017 1.951 1.00 0.00 C ATOM 0 H THR B 102 8.451 -5.921 0.371 1.00 0.00 H new ATOM 0 HA THR B 102 9.932 -6.801 2.758 1.00 0.00 H new ATOM 0 HB THR B 102 9.162 -4.853 3.763 1.00 0.00 H new ATOM 0 HG1 THR B 102 7.270 -3.943 3.232 1.00 0.00 H new ATOM 0 HG21 THR B 102 9.751 -2.982 2.265 1.00 0.00 H new ATOM 0 HG22 THR B 102 10.906 -4.332 2.166 1.00 0.00 H new ATOM 0 HG23 THR B 102 9.698 -4.099 0.880 1.00 0.00 H new ATOM 1446 N GLU B 103 7.468 -6.818 4.165 1.00 0.00 N ATOM 1447 CA GLU B 103 6.325 -7.441 4.820 1.00 0.00 C ATOM 1448 C GLU B 103 5.675 -6.476 5.804 1.00 0.00 C ATOM 1449 O GLU B 103 6.084 -6.369 6.961 1.00 0.00 O ATOM 1450 CB GLU B 103 6.724 -8.744 5.517 1.00 0.00 C ATOM 1451 CG GLU B 103 7.856 -8.599 6.523 1.00 0.00 C ATOM 1452 CD GLU B 103 7.531 -9.255 7.851 1.00 0.00 C ATOM 1453 OE1 GLU B 103 7.401 -10.498 7.882 1.00 0.00 O ATOM 1454 OE2 GLU B 103 7.401 -8.529 8.857 1.00 0.00 O ATOM 0 H GLU B 103 7.962 -6.133 4.738 1.00 0.00 H new ATOM 0 HA GLU B 103 5.594 -7.689 4.050 1.00 0.00 H new ATOM 0 HB2 GLU B 103 5.851 -9.151 6.027 1.00 0.00 H new ATOM 0 HB3 GLU B 103 7.018 -9.471 4.760 1.00 0.00 H new ATOM 0 HG2 GLU B 103 8.763 -9.043 6.113 1.00 0.00 H new ATOM 0 HG3 GLU B 103 8.063 -7.541 6.684 1.00 0.00 H new ATOM 1461 N VAL B 104 4.657 -5.772 5.321 1.00 0.00 N ATOM 1462 CA VAL B 104 3.929 -4.801 6.131 1.00 0.00 C ATOM 1463 C VAL B 104 2.881 -5.496 7.017 1.00 0.00 C ATOM 1464 O VAL B 104 1.899 -4.835 7.426 1.00 0.00 O ATOM 1465 CB VAL B 104 3.264 -3.741 5.221 1.00 0.00 C ATOM 1466 CG1 VAL B 104 2.028 -4.312 4.541 1.00 0.00 C ATOM 1467 CG2 VAL B 104 2.925 -2.483 6.009 1.00 0.00 C ATOM 1468 OXT VAL B 104 3.066 -6.700 7.309 1.00 0.00 O ATOM 0 H VAL B 104 4.315 -5.857 4.364 1.00 0.00 H new ATOM 0 HA VAL B 104 4.639 -4.300 6.789 1.00 0.00 H new ATOM 0 HB VAL B 104 3.977 -3.465 4.444 1.00 0.00 H new ATOM 0 HG11 VAL B 104 1.577 -3.549 3.906 1.00 0.00 H new ATOM 0 HG12 VAL B 104 2.312 -5.170 3.932 1.00 0.00 H new ATOM 0 HG13 VAL B 104 1.309 -4.626 5.298 1.00 0.00 H new ATOM 0 HG21 VAL B 104 2.459 -1.753 5.347 1.00 0.00 H new ATOM 0 HG22 VAL B 104 2.236 -2.734 6.816 1.00 0.00 H new ATOM 0 HG23 VAL B 104 3.837 -2.060 6.430 1.00 0.00 H new TER 1478 VAL B 104