USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 574 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 20 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 22 GLN : amide:sc= 0 X(o=-1.6,f=-1.6) USER MOD Set 1.3: A 25 GLN : amide:sc= -1.58 K(o=-1.6,f=-5.3!) USER MOD Set 2.1: A 11 CYS SG : rot 150:sc= -0.794 USER MOD Set 2.2: A 29 SER OG : rot -104:sc= 0.576 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 1.79 (180deg=0.0566) USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= -0.0187 (180deg=-0.177) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 15 LYS NZ :NH3+ -130:sc= 0.121 (180deg=-0.154) USER MOD Single : A 21 HIS : no HD1:sc= -0.437 C(o=-0.13!,f=-12!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.45 K(o=-1.4,f=-6.6!) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc=-0.00707 (180deg=-0.129) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -0.0124 (180deg=-0.194) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -160:sc= -0.101 (180deg=-0.544) USER MOD Single : A 48 ASN : amide:sc= 0.483 X(o=0.48,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 1.02 K(o=1,f=-6!) USER MOD Single : A 64 HIS : no HD1:sc= 0.548 K(o=0.55,f=-2.5!) USER MOD Single : A 65 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0859 X(o=-0.086,f=-0.0036) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.536 X(o=-0.54,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.590 14.084 -4.745 1.00 0.00 N ATOM 2 CA MET A 1 8.328 14.300 -3.998 1.00 0.00 C ATOM 3 C MET A 1 7.134 13.955 -4.879 1.00 0.00 C ATOM 4 O MET A 1 6.096 13.516 -4.382 1.00 0.00 O ATOM 5 CB MET A 1 8.215 15.745 -3.484 1.00 0.00 C ATOM 6 CG MET A 1 8.355 16.816 -4.558 1.00 0.00 C ATOM 7 SD MET A 1 10.054 17.005 -5.139 1.00 0.00 S ATOM 8 CE MET A 1 9.845 18.275 -6.383 1.00 0.00 C ATOM 0 H1 MET A 1 10.388 14.055 -4.078 1.00 0.00 H new ATOM 0 H2 MET A 1 9.538 13.183 -5.261 1.00 0.00 H new ATOM 0 H3 MET A 1 9.731 14.862 -5.420 1.00 0.00 H new ATOM 0 HA MET A 1 8.335 13.641 -3.130 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.250 15.867 -2.992 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.981 15.907 -2.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.713 16.564 -5.402 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.003 17.769 -4.163 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.810 18.503 -6.836 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.158 17.922 -7.152 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.440 19.175 -5.920 1.00 0.00 H new ATOM 20 N GLU A 2 7.296 14.160 -6.189 1.00 0.00 N ATOM 21 CA GLU A 2 6.331 13.698 -7.184 1.00 0.00 C ATOM 22 C GLU A 2 4.978 14.397 -7.037 1.00 0.00 C ATOM 23 O GLU A 2 4.825 15.340 -6.255 1.00 0.00 O ATOM 24 CB GLU A 2 6.158 12.170 -7.093 1.00 0.00 C ATOM 25 CG GLU A 2 7.314 11.360 -7.677 1.00 0.00 C ATOM 26 CD GLU A 2 8.674 11.745 -7.113 1.00 0.00 C ATOM 27 OE1 GLU A 2 8.903 11.564 -5.895 1.00 0.00 O ATOM 28 OE2 GLU A 2 9.517 12.247 -7.885 1.00 0.00 O ATOM 0 H GLU A 2 8.098 14.649 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 2 6.726 13.955 -8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.032 11.894 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.240 11.891 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.138 10.301 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.328 11.491 -8.759 1.00 0.00 H new ATOM 35 N LYS A 3 4.010 13.938 -7.814 1.00 0.00 N ATOM 36 CA LYS A 3 2.663 14.476 -7.775 1.00 0.00 C ATOM 37 C LYS A 3 1.728 13.392 -7.254 1.00 0.00 C ATOM 38 O LYS A 3 2.182 12.402 -6.689 1.00 0.00 O ATOM 39 CB LYS A 3 2.204 14.918 -9.179 1.00 0.00 C ATOM 40 CG LYS A 3 3.224 15.723 -9.982 1.00 0.00 C ATOM 41 CD LYS A 3 4.228 14.814 -10.683 1.00 0.00 C ATOM 42 CE LYS A 3 5.186 15.592 -11.575 1.00 0.00 C ATOM 43 NZ LYS A 3 4.483 16.273 -12.696 1.00 0.00 N ATOM 0 H LYS A 3 4.137 13.183 -8.488 1.00 0.00 H new ATOM 0 HA LYS A 3 2.644 15.349 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.937 14.030 -9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.298 15.514 -9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.706 16.333 -10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.753 16.407 -9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.798 14.261 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.692 14.079 -11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.716 16.333 -10.977 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.937 14.913 -11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.180 16.602 -13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.826 15.607 -13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.951 17.087 -12.328 1.00 0.00 H new ATOM 57 N LYS A 4 0.430 13.565 -7.450 1.00 0.00 N ATOM 58 CA LYS A 4 -0.524 12.506 -7.133 1.00 0.00 C ATOM 59 C LYS A 4 -0.829 11.683 -8.377 1.00 0.00 C ATOM 60 O LYS A 4 -1.823 10.963 -8.437 1.00 0.00 O ATOM 61 CB LYS A 4 -1.824 13.069 -6.546 1.00 0.00 C ATOM 62 CG LYS A 4 -1.751 13.382 -5.057 1.00 0.00 C ATOM 63 CD LYS A 4 -0.991 14.670 -4.770 1.00 0.00 C ATOM 64 CE LYS A 4 -1.699 15.869 -5.375 1.00 0.00 C ATOM 65 NZ LYS A 4 -1.064 17.149 -4.978 1.00 0.00 N ATOM 0 H LYS A 4 0.013 14.418 -7.823 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.067 11.866 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.089 13.979 -7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.627 12.352 -6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.761 13.463 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.267 12.555 -4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.894 14.806 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.019 14.598 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.693 15.783 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.743 15.870 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.579 17.941 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.092 17.244 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.075 17.160 -5.300 1.00 0.00 H new ATOM 79 N PHE A 5 0.062 11.771 -9.356 1.00 0.00 N ATOM 80 CA PHE A 5 -0.112 11.080 -10.626 1.00 0.00 C ATOM 81 C PHE A 5 0.016 9.569 -10.439 1.00 0.00 C ATOM 82 O PHE A 5 -0.590 8.786 -11.169 1.00 0.00 O ATOM 83 CB PHE A 5 0.922 11.592 -11.633 1.00 0.00 C ATOM 84 CG PHE A 5 0.751 11.051 -13.026 1.00 0.00 C ATOM 85 CD1 PHE A 5 -0.217 11.572 -13.869 1.00 0.00 C ATOM 86 CD2 PHE A 5 1.560 10.031 -13.494 1.00 0.00 C ATOM 87 CE1 PHE A 5 -0.372 11.087 -15.152 1.00 0.00 C ATOM 88 CE2 PHE A 5 1.407 9.539 -14.775 1.00 0.00 C ATOM 89 CZ PHE A 5 0.440 10.067 -15.605 1.00 0.00 C ATOM 0 H PHE A 5 0.920 12.319 -9.293 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.112 11.285 -11.009 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.868 12.680 -11.669 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.919 11.334 -11.275 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.858 12.367 -13.518 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.320 9.615 -12.850 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.128 11.505 -15.801 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.044 8.741 -15.127 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.319 9.683 -16.607 1.00 0.00 H new ATOM 99 N LEU A 6 0.807 9.162 -9.454 1.00 0.00 N ATOM 100 CA LEU A 6 0.989 7.745 -9.162 1.00 0.00 C ATOM 101 C LEU A 6 -0.053 7.260 -8.156 1.00 0.00 C ATOM 102 O LEU A 6 -0.259 6.059 -7.993 1.00 0.00 O ATOM 103 CB LEU A 6 2.406 7.476 -8.629 1.00 0.00 C ATOM 104 CG LEU A 6 2.671 7.852 -7.167 1.00 0.00 C ATOM 105 CD1 LEU A 6 4.030 7.336 -6.727 1.00 0.00 C ATOM 106 CD2 LEU A 6 2.596 9.354 -6.959 1.00 0.00 C ATOM 0 H LEU A 6 1.331 9.790 -8.845 1.00 0.00 H new ATOM 0 HA LEU A 6 0.857 7.192 -10.092 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.621 6.414 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.114 8.019 -9.254 1.00 0.00 H new ATOM 0 HG LEU A 6 1.896 7.386 -6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.204 7.611 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.056 6.251 -6.825 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.806 7.776 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.789 9.586 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.342 9.845 -7.583 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.603 9.710 -7.233 1.00 0.00 H new ATOM 118 N ASP A 7 -0.723 8.206 -7.508 1.00 0.00 N ATOM 119 CA ASP A 7 -1.694 7.891 -6.462 1.00 0.00 C ATOM 120 C ASP A 7 -3.116 8.018 -7.013 1.00 0.00 C ATOM 121 O ASP A 7 -4.090 8.117 -6.272 1.00 0.00 O ATOM 122 CB ASP A 7 -1.483 8.828 -5.263 1.00 0.00 C ATOM 123 CG ASP A 7 -2.258 8.408 -4.023 1.00 0.00 C ATOM 124 OD1 ASP A 7 -1.830 7.455 -3.340 1.00 0.00 O ATOM 125 OD2 ASP A 7 -3.284 9.056 -3.712 1.00 0.00 O ATOM 0 H ASP A 7 -0.612 9.204 -7.689 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.550 6.863 -6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.420 8.865 -5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.781 9.838 -5.544 1.00 0.00 H new ATOM 130 N ILE A 8 -3.230 7.997 -8.338 1.00 0.00 N ATOM 131 CA ILE A 8 -4.534 8.073 -8.992 1.00 0.00 C ATOM 132 C ILE A 8 -5.325 6.787 -8.764 1.00 0.00 C ATOM 133 O ILE A 8 -6.538 6.734 -8.984 1.00 0.00 O ATOM 134 CB ILE A 8 -4.407 8.339 -10.508 1.00 0.00 C ATOM 135 CG1 ILE A 8 -3.527 7.275 -11.176 1.00 0.00 C ATOM 136 CG2 ILE A 8 -3.855 9.736 -10.753 1.00 0.00 C ATOM 137 CD1 ILE A 8 -3.398 7.450 -12.674 1.00 0.00 C ATOM 0 H ILE A 8 -2.439 7.928 -8.978 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.065 8.913 -8.545 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.399 8.279 -10.955 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.534 7.303 -10.728 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.942 6.289 -10.968 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.770 9.911 -11.826 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.528 10.475 -10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.871 9.824 -10.292 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.762 6.663 -13.079 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.385 7.392 -13.133 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.954 8.422 -12.890 1.00 0.00 H new ATOM 149 N LEU A 9 -4.627 5.754 -8.322 1.00 0.00 N ATOM 150 CA LEU A 9 -5.254 4.489 -7.989 1.00 0.00 C ATOM 151 C LEU A 9 -5.334 4.351 -6.480 1.00 0.00 C ATOM 152 O LEU A 9 -4.321 4.151 -5.817 1.00 0.00 O ATOM 153 CB LEU A 9 -4.460 3.322 -8.563 1.00 0.00 C ATOM 154 CG LEU A 9 -4.154 3.407 -10.062 1.00 0.00 C ATOM 155 CD1 LEU A 9 -3.256 2.256 -10.492 1.00 0.00 C ATOM 156 CD2 LEU A 9 -5.443 3.405 -10.872 1.00 0.00 C ATOM 0 H LEU A 9 -3.616 5.769 -8.185 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.255 4.472 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.517 3.245 -8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.012 2.401 -8.374 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.629 4.343 -10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.050 2.334 -11.560 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.318 2.299 -9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.755 1.309 -10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.205 3.466 -11.934 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.995 2.486 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.053 4.262 -10.587 1.00 0.00 H new ATOM 168 N VAL A 10 -6.533 4.469 -5.949 1.00 0.00 N ATOM 169 CA VAL A 10 -6.743 4.409 -4.510 1.00 0.00 C ATOM 170 C VAL A 10 -7.628 3.224 -4.151 1.00 0.00 C ATOM 171 O VAL A 10 -8.224 2.600 -5.033 1.00 0.00 O ATOM 172 CB VAL A 10 -7.383 5.708 -3.972 1.00 0.00 C ATOM 173 CG1 VAL A 10 -6.422 6.876 -4.117 1.00 0.00 C ATOM 174 CG2 VAL A 10 -8.692 6.006 -4.689 1.00 0.00 C ATOM 0 H VAL A 10 -7.385 4.608 -6.493 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.764 4.290 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.599 5.565 -2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.890 7.782 -3.733 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.512 6.671 -3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.173 7.014 -5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.123 6.925 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.504 6.124 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.388 5.182 -4.533 1.00 0.00 H new ATOM 184 N CYS A 11 -7.704 2.920 -2.859 1.00 0.00 N ATOM 185 CA CYS A 11 -8.523 1.817 -2.369 1.00 0.00 C ATOM 186 C CYS A 11 -9.986 2.009 -2.771 1.00 0.00 C ATOM 187 O CYS A 11 -10.496 3.128 -2.756 1.00 0.00 O ATOM 188 CB CYS A 11 -8.429 1.742 -0.846 1.00 0.00 C ATOM 189 SG CYS A 11 -6.760 1.962 -0.194 1.00 0.00 S ATOM 0 H CYS A 11 -7.204 3.426 -2.128 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.152 0.892 -2.811 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.078 2.504 -0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -8.811 0.775 -0.517 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.823 2.506 0.985 1.00 0.00 H new ATOM 195 N PRO A 12 -10.687 0.917 -3.105 1.00 0.00 N ATOM 196 CA PRO A 12 -12.101 0.981 -3.475 1.00 0.00 C ATOM 197 C PRO A 12 -13.001 1.185 -2.261 1.00 0.00 C ATOM 198 O PRO A 12 -14.158 1.583 -2.384 1.00 0.00 O ATOM 199 CB PRO A 12 -12.359 -0.384 -4.116 1.00 0.00 C ATOM 200 CG PRO A 12 -11.362 -1.296 -3.484 1.00 0.00 C ATOM 201 CD PRO A 12 -10.151 -0.456 -3.178 1.00 0.00 C ATOM 0 HA PRO A 12 -12.318 1.821 -4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.378 -0.722 -3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.229 -0.344 -5.197 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.765 -1.742 -2.575 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.106 -2.116 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.684 -0.754 -2.239 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.392 -0.549 -3.955 1.00 0.00 H new ATOM 209 N VAL A 13 -12.455 0.917 -1.081 1.00 0.00 N ATOM 210 CA VAL A 13 -13.217 1.015 0.155 1.00 0.00 C ATOM 211 C VAL A 13 -13.194 2.437 0.715 1.00 0.00 C ATOM 212 O VAL A 13 -14.196 3.150 0.665 1.00 0.00 O ATOM 213 CB VAL A 13 -12.681 0.035 1.222 1.00 0.00 C ATOM 214 CG1 VAL A 13 -13.538 0.073 2.479 1.00 0.00 C ATOM 215 CG2 VAL A 13 -12.610 -1.378 0.662 1.00 0.00 C ATOM 0 H VAL A 13 -11.484 0.629 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.246 0.749 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.673 0.349 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.138 -0.626 3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.529 1.080 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.561 -0.208 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.230 -2.054 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.606 -1.699 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.943 -1.395 -0.200 1.00 0.00 H new ATOM 225 N THR A 14 -12.047 2.850 1.234 1.00 0.00 N ATOM 226 CA THR A 14 -11.936 4.139 1.900 1.00 0.00 C ATOM 227 C THR A 14 -11.258 5.190 1.024 1.00 0.00 C ATOM 228 O THR A 14 -11.112 6.338 1.440 1.00 0.00 O ATOM 229 CB THR A 14 -11.160 3.991 3.219 1.00 0.00 C ATOM 230 OG1 THR A 14 -10.015 3.151 3.014 1.00 0.00 O ATOM 231 CG2 THR A 14 -12.043 3.397 4.303 1.00 0.00 C ATOM 0 H THR A 14 -11.181 2.312 1.207 1.00 0.00 H new ATOM 0 HA THR A 14 -12.951 4.481 2.102 1.00 0.00 H new ATOM 0 HB THR A 14 -10.836 4.980 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.521 3.060 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.472 3.302 5.226 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.900 4.049 4.472 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.392 2.413 3.990 1.00 0.00 H new ATOM 239 N LYS A 15 -10.863 4.777 -0.186 1.00 0.00 N ATOM 240 CA LYS A 15 -10.170 5.635 -1.160 1.00 0.00 C ATOM 241 C LYS A 15 -9.081 6.487 -0.506 1.00 0.00 C ATOM 242 O LYS A 15 -9.251 7.684 -0.266 1.00 0.00 O ATOM 243 CB LYS A 15 -11.134 6.493 -2.017 1.00 0.00 C ATOM 244 CG LYS A 15 -11.996 7.503 -1.265 1.00 0.00 C ATOM 245 CD LYS A 15 -13.317 6.906 -0.810 1.00 0.00 C ATOM 246 CE LYS A 15 -14.170 7.942 -0.097 1.00 0.00 C ATOM 247 NZ LYS A 15 -13.525 8.447 1.148 1.00 0.00 N ATOM 0 H LYS A 15 -11.017 3.826 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.677 4.953 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.544 7.032 -2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.795 5.821 -2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.448 7.871 -0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.190 8.362 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.859 6.515 -1.671 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.129 6.065 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.360 8.778 -0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.138 7.505 0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.203 8.396 1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.693 7.864 1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.229 9.434 1.010 1.00 0.00 H new ATOM 261 N GLY A 16 -7.968 5.844 -0.198 1.00 0.00 N ATOM 262 CA GLY A 16 -6.851 6.539 0.410 1.00 0.00 C ATOM 263 C GLY A 16 -5.531 6.171 -0.234 1.00 0.00 C ATOM 264 O GLY A 16 -5.492 5.312 -1.117 1.00 0.00 O ATOM 0 H GLY A 16 -7.816 4.848 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.006 7.615 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.813 6.303 1.473 1.00 0.00 H new ATOM 268 N ARG A 17 -4.457 6.820 0.214 1.00 0.00 N ATOM 269 CA ARG A 17 -3.127 6.597 -0.318 1.00 0.00 C ATOM 270 C ARG A 17 -2.707 5.135 -0.187 1.00 0.00 C ATOM 271 O ARG A 17 -3.031 4.468 0.804 1.00 0.00 O ATOM 272 CB ARG A 17 -2.132 7.466 0.439 1.00 0.00 C ATOM 273 CG ARG A 17 -2.566 8.911 0.627 1.00 0.00 C ATOM 274 CD ARG A 17 -2.760 9.635 -0.696 1.00 0.00 C ATOM 275 NE ARG A 17 -3.129 11.039 -0.494 1.00 0.00 N ATOM 276 CZ ARG A 17 -3.663 11.815 -1.436 1.00 0.00 C ATOM 277 NH1 ARG A 17 -3.856 11.348 -2.657 1.00 0.00 N ATOM 278 NH2 ARG A 17 -3.998 13.069 -1.155 1.00 0.00 N ATOM 0 H ARG A 17 -4.492 7.516 0.959 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.139 6.857 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.956 7.023 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.181 7.453 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.498 8.937 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.818 9.438 1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.841 9.580 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.536 9.134 -1.275 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.967 11.448 0.426 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.596 10.388 -2.883 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.265 11.948 -3.374 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.847 13.439 -0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.407 13.662 -1.877 1.00 0.00 H new ATOM 292 N LEU A 18 -1.977 4.651 -1.180 1.00 0.00 N ATOM 293 CA LEU A 18 -1.448 3.295 -1.152 1.00 0.00 C ATOM 294 C LEU A 18 0.037 3.298 -0.814 1.00 0.00 C ATOM 295 O LEU A 18 0.848 3.901 -1.520 1.00 0.00 O ATOM 296 CB LEU A 18 -1.674 2.593 -2.494 1.00 0.00 C ATOM 297 CG LEU A 18 -3.130 2.244 -2.812 1.00 0.00 C ATOM 298 CD1 LEU A 18 -3.235 1.592 -4.181 1.00 0.00 C ATOM 299 CD2 LEU A 18 -3.704 1.326 -1.743 1.00 0.00 C ATOM 0 H LEU A 18 -1.736 5.179 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.983 2.748 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.289 3.232 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.086 1.675 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.709 3.167 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.277 1.351 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.862 2.279 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.641 0.678 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.740 1.088 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.121 0.406 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.663 1.825 -0.775 1.00 0.00 H new ATOM 311 N GLU A 19 0.385 2.625 0.273 1.00 0.00 N ATOM 312 CA GLU A 19 1.773 2.498 0.685 1.00 0.00 C ATOM 313 C GLU A 19 2.401 1.298 -0.027 1.00 0.00 C ATOM 314 O GLU A 19 2.317 0.163 0.447 1.00 0.00 O ATOM 315 CB GLU A 19 1.865 2.316 2.208 1.00 0.00 C ATOM 316 CG GLU A 19 0.999 3.281 3.011 1.00 0.00 C ATOM 317 CD GLU A 19 1.536 4.697 3.032 1.00 0.00 C ATOM 318 OE1 GLU A 19 1.480 5.376 1.991 1.00 0.00 O ATOM 319 OE2 GLU A 19 2.021 5.135 4.100 1.00 0.00 O ATOM 0 H GLU A 19 -0.280 2.156 0.888 1.00 0.00 H new ATOM 0 HA GLU A 19 2.313 3.406 0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.577 1.295 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.904 2.438 2.514 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.007 3.288 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.916 2.917 4.035 1.00 0.00 H new ATOM 326 N TYR A 20 2.992 1.542 -1.186 1.00 0.00 N ATOM 327 CA TYR A 20 3.561 0.467 -1.988 1.00 0.00 C ATOM 328 C TYR A 20 5.025 0.237 -1.641 1.00 0.00 C ATOM 329 O TYR A 20 5.825 1.170 -1.622 1.00 0.00 O ATOM 330 CB TYR A 20 3.422 0.783 -3.481 1.00 0.00 C ATOM 331 CG TYR A 20 3.988 -0.287 -4.393 1.00 0.00 C ATOM 332 CD1 TYR A 20 3.423 -1.556 -4.449 1.00 0.00 C ATOM 333 CD2 TYR A 20 5.082 -0.022 -5.208 1.00 0.00 C ATOM 334 CE1 TYR A 20 3.935 -2.530 -5.285 1.00 0.00 C ATOM 335 CE2 TYR A 20 5.599 -0.991 -6.046 1.00 0.00 C ATOM 336 CZ TYR A 20 5.021 -2.241 -6.082 1.00 0.00 C ATOM 337 OH TYR A 20 5.534 -3.207 -6.916 1.00 0.00 O ATOM 0 H TYR A 20 3.091 2.472 -1.593 1.00 0.00 H new ATOM 0 HA TYR A 20 3.008 -0.445 -1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.367 0.925 -3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.924 1.727 -3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.569 -1.785 -3.828 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.536 0.958 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.486 -3.512 -5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.452 -0.770 -6.670 1.00 0.00 H new ATOM 0 HH TYR A 20 6.297 -2.841 -7.410 1.00 0.00 H new ATOM 347 N HIS A 21 5.368 -1.013 -1.366 1.00 0.00 N ATOM 348 CA HIS A 21 6.749 -1.384 -1.102 1.00 0.00 C ATOM 349 C HIS A 21 7.094 -2.658 -1.867 1.00 0.00 C ATOM 350 O HIS A 21 6.532 -3.728 -1.612 1.00 0.00 O ATOM 351 CB HIS A 21 7.009 -1.541 0.410 1.00 0.00 C ATOM 352 CG HIS A 21 6.190 -2.601 1.099 1.00 0.00 C ATOM 353 ND1 HIS A 21 6.719 -3.800 1.521 1.00 0.00 N ATOM 354 CD2 HIS A 21 4.885 -2.623 1.465 1.00 0.00 C ATOM 355 CE1 HIS A 21 5.782 -4.514 2.115 1.00 0.00 C ATOM 356 NE2 HIS A 21 4.659 -3.823 2.094 1.00 0.00 N ATOM 0 H HIS A 21 4.707 -1.788 -1.320 1.00 0.00 H new ATOM 0 HA HIS A 21 7.401 -0.583 -1.451 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.065 -1.768 0.558 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.817 -0.584 0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.158 -1.842 1.294 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.912 -5.496 2.545 1.00 0.00 H new ATOM 0 HE2 HIS A 21 3.767 -4.130 2.482 1.00 0.00 H new ATOM 365 N GLN A 22 7.987 -2.529 -2.836 1.00 0.00 N ATOM 366 CA GLN A 22 8.343 -3.647 -3.693 1.00 0.00 C ATOM 367 C GLN A 22 9.358 -4.564 -3.019 1.00 0.00 C ATOM 368 O GLN A 22 10.568 -4.435 -3.210 1.00 0.00 O ATOM 369 CB GLN A 22 8.877 -3.148 -5.037 1.00 0.00 C ATOM 370 CG GLN A 22 9.159 -4.262 -6.033 1.00 0.00 C ATOM 371 CD GLN A 22 9.493 -3.737 -7.411 1.00 0.00 C ATOM 372 OE1 GLN A 22 8.607 -3.544 -8.243 1.00 0.00 O ATOM 373 NE2 GLN A 22 10.767 -3.502 -7.666 1.00 0.00 N ATOM 0 H GLN A 22 8.478 -1.661 -3.048 1.00 0.00 H new ATOM 0 HA GLN A 22 7.438 -4.228 -3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.154 -2.458 -5.472 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.794 -2.584 -4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.988 -4.869 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.289 -4.916 -6.098 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.471 -3.675 -6.949 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.047 -3.147 -8.580 1.00 0.00 H new ATOM 382 N ASP A 23 8.843 -5.464 -2.202 1.00 0.00 N ATOM 383 CA ASP A 23 9.642 -6.506 -1.567 1.00 0.00 C ATOM 384 C ASP A 23 8.762 -7.721 -1.300 1.00 0.00 C ATOM 385 O ASP A 23 9.027 -8.815 -1.794 1.00 0.00 O ATOM 386 CB ASP A 23 10.291 -5.999 -0.268 1.00 0.00 C ATOM 387 CG ASP A 23 9.321 -5.266 0.641 1.00 0.00 C ATOM 388 OD1 ASP A 23 8.648 -5.917 1.461 1.00 0.00 O ATOM 389 OD2 ASP A 23 9.210 -4.030 0.525 1.00 0.00 O ATOM 0 H ASP A 23 7.854 -5.496 -1.956 1.00 0.00 H new ATOM 0 HA ASP A 23 10.451 -6.790 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.716 -6.845 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.117 -5.334 -0.518 1.00 0.00 H new ATOM 394 N LYS A 24 7.695 -7.511 -0.541 1.00 0.00 N ATOM 395 CA LYS A 24 6.683 -8.535 -0.333 1.00 0.00 C ATOM 396 C LYS A 24 5.596 -8.387 -1.386 1.00 0.00 C ATOM 397 O LYS A 24 4.616 -9.127 -1.393 1.00 0.00 O ATOM 398 CB LYS A 24 6.069 -8.406 1.064 1.00 0.00 C ATOM 399 CG LYS A 24 7.031 -8.679 2.212 1.00 0.00 C ATOM 400 CD LYS A 24 7.421 -10.147 2.288 1.00 0.00 C ATOM 401 CE LYS A 24 8.633 -10.467 1.427 1.00 0.00 C ATOM 402 NZ LYS A 24 8.945 -11.920 1.440 1.00 0.00 N ATOM 0 H LYS A 24 7.508 -6.633 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 24 7.149 -9.517 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.667 -7.399 1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.228 -9.096 1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.927 -8.071 2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.569 -8.377 3.152 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.634 -10.411 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.579 -10.761 1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.448 -10.143 0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.495 -9.906 1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.777 -12.102 0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.146 -12.223 2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.131 -12.453 1.072 1.00 0.00 H new ATOM 416 N GLN A 25 5.813 -7.423 -2.284 1.00 0.00 N ATOM 417 CA GLN A 25 4.848 -7.054 -3.311 1.00 0.00 C ATOM 418 C GLN A 25 3.468 -6.811 -2.706 1.00 0.00 C ATOM 419 O GLN A 25 2.490 -7.462 -3.070 1.00 0.00 O ATOM 420 CB GLN A 25 4.787 -8.128 -4.395 1.00 0.00 C ATOM 421 CG GLN A 25 6.155 -8.512 -4.942 1.00 0.00 C ATOM 422 CD GLN A 25 6.981 -7.316 -5.380 1.00 0.00 C ATOM 423 OE1 GLN A 25 6.448 -6.285 -5.785 1.00 0.00 O ATOM 424 NE2 GLN A 25 8.295 -7.452 -5.307 1.00 0.00 N ATOM 0 H GLN A 25 6.672 -6.875 -2.315 1.00 0.00 H new ATOM 0 HA GLN A 25 5.177 -6.121 -3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.304 -9.017 -3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.163 -7.772 -5.215 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.703 -9.064 -4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.024 -9.185 -5.789 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.699 -8.324 -4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.904 -6.685 -5.592 1.00 0.00 H new ATOM 433 N GLU A 26 3.404 -5.877 -1.766 1.00 0.00 N ATOM 434 CA GLU A 26 2.158 -5.566 -1.089 1.00 0.00 C ATOM 435 C GLU A 26 1.767 -4.105 -1.272 1.00 0.00 C ATOM 436 O GLU A 26 2.613 -3.207 -1.200 1.00 0.00 O ATOM 437 CB GLU A 26 2.288 -5.849 0.403 1.00 0.00 C ATOM 438 CG GLU A 26 2.632 -7.285 0.746 1.00 0.00 C ATOM 439 CD GLU A 26 2.816 -7.481 2.236 1.00 0.00 C ATOM 440 OE1 GLU A 26 3.294 -6.541 2.903 1.00 0.00 O ATOM 441 OE2 GLU A 26 2.491 -8.575 2.741 1.00 0.00 O ATOM 0 H GLU A 26 4.203 -5.323 -1.457 1.00 0.00 H new ATOM 0 HA GLU A 26 1.385 -6.195 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.056 -5.196 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.350 -5.587 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.840 -7.943 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.546 -7.574 0.226 1.00 0.00 H new ATOM 448 N LEU A 27 0.483 -3.882 -1.514 1.00 0.00 N ATOM 449 CA LEU A 27 -0.096 -2.549 -1.452 1.00 0.00 C ATOM 450 C LEU A 27 -0.692 -2.332 -0.072 1.00 0.00 C ATOM 451 O LEU A 27 -1.697 -2.949 0.273 1.00 0.00 O ATOM 452 CB LEU A 27 -1.199 -2.367 -2.502 1.00 0.00 C ATOM 453 CG LEU A 27 -0.728 -2.101 -3.930 1.00 0.00 C ATOM 454 CD1 LEU A 27 -1.923 -2.018 -4.866 1.00 0.00 C ATOM 455 CD2 LEU A 27 0.078 -0.813 -3.992 1.00 0.00 C ATOM 0 H LEU A 27 -0.183 -4.616 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 27 0.693 -1.825 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.820 -3.263 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.836 -1.539 -2.191 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.088 -2.925 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.577 -1.828 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.472 -2.959 -4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.578 -1.207 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.406 -0.638 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.542 0.021 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.949 -0.897 -3.342 1.00 0.00 H new ATOM 467 N TRP A 28 -0.090 -1.455 0.710 1.00 0.00 N ATOM 468 CA TRP A 28 -0.557 -1.219 2.065 1.00 0.00 C ATOM 469 C TRP A 28 -1.562 -0.077 2.090 1.00 0.00 C ATOM 470 O TRP A 28 -1.216 1.083 1.876 1.00 0.00 O ATOM 471 CB TRP A 28 0.618 -0.913 3.003 1.00 0.00 C ATOM 472 CG TRP A 28 1.354 -2.133 3.486 1.00 0.00 C ATOM 473 CD1 TRP A 28 1.405 -3.361 2.889 1.00 0.00 C ATOM 474 CD2 TRP A 28 2.146 -2.236 4.679 1.00 0.00 C ATOM 475 NE1 TRP A 28 2.175 -4.220 3.639 1.00 0.00 N ATOM 476 CE2 TRP A 28 2.639 -3.554 4.741 1.00 0.00 C ATOM 477 CE3 TRP A 28 2.486 -1.344 5.701 1.00 0.00 C ATOM 478 CZ2 TRP A 28 3.450 -3.998 5.783 1.00 0.00 C ATOM 479 CZ3 TRP A 28 3.291 -1.788 6.735 1.00 0.00 C ATOM 480 CH2 TRP A 28 3.762 -3.105 6.770 1.00 0.00 C ATOM 0 H TRP A 28 0.718 -0.897 0.433 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.049 -2.126 2.416 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.321 -0.259 2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.245 -0.361 3.866 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.913 -3.620 1.963 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.369 -5.195 3.411 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.126 -0.326 5.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.819 -5.012 5.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.560 -1.107 7.528 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.385 -3.423 7.593 1.00 0.00 H new ATOM 491 N SER A 29 -2.814 -0.419 2.334 1.00 0.00 N ATOM 492 CA SER A 29 -3.872 0.566 2.395 1.00 0.00 C ATOM 493 C SER A 29 -3.956 1.127 3.807 1.00 0.00 C ATOM 494 O SER A 29 -4.703 0.622 4.647 1.00 0.00 O ATOM 495 CB SER A 29 -5.202 -0.065 1.982 1.00 0.00 C ATOM 496 OG SER A 29 -5.099 -0.671 0.701 1.00 0.00 O ATOM 0 H SER A 29 -3.122 -1.378 2.494 1.00 0.00 H new ATOM 0 HA SER A 29 -3.654 1.380 1.704 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.500 -0.811 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.981 0.697 1.967 1.00 0.00 H new ATOM 0 HG SER A 29 -5.532 -0.099 0.033 1.00 0.00 H new ATOM 502 N ARG A 30 -3.163 2.162 4.062 1.00 0.00 N ATOM 503 CA ARG A 30 -3.010 2.718 5.402 1.00 0.00 C ATOM 504 C ARG A 30 -4.353 3.159 5.983 1.00 0.00 C ATOM 505 O ARG A 30 -4.595 3.028 7.181 1.00 0.00 O ATOM 506 CB ARG A 30 -2.050 3.907 5.362 1.00 0.00 C ATOM 507 CG ARG A 30 -1.499 4.288 6.725 1.00 0.00 C ATOM 508 CD ARG A 30 -0.604 5.516 6.651 1.00 0.00 C ATOM 509 NE ARG A 30 -1.370 6.757 6.523 1.00 0.00 N ATOM 510 CZ ARG A 30 -0.862 7.967 6.767 1.00 0.00 C ATOM 511 NH1 ARG A 30 0.421 8.100 7.086 1.00 0.00 N ATOM 512 NH2 ARG A 30 -1.628 9.050 6.673 1.00 0.00 N ATOM 0 H ARG A 30 -2.610 2.638 3.349 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.605 1.937 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.220 3.671 4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.567 4.766 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.325 4.481 7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.934 3.451 7.135 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.016 5.565 7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.071 5.420 5.801 1.00 0.00 H new ATOM 0 HE ARG A 30 -2.345 6.694 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.020 7.276 7.145 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.807 9.026 7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -2.610 8.959 6.413 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.233 9.972 6.861 1.00 0.00 H new ATOM 526 N GLN A 31 -5.228 3.651 5.119 1.00 0.00 N ATOM 527 CA GLN A 31 -6.502 4.194 5.540 1.00 0.00 C ATOM 528 C GLN A 31 -7.470 3.100 5.992 1.00 0.00 C ATOM 529 O GLN A 31 -8.467 3.382 6.659 1.00 0.00 O ATOM 530 CB GLN A 31 -7.112 4.989 4.395 1.00 0.00 C ATOM 531 CG GLN A 31 -6.197 6.066 3.825 1.00 0.00 C ATOM 532 CD GLN A 31 -5.820 7.145 4.831 1.00 0.00 C ATOM 533 OE1 GLN A 31 -5.715 6.899 6.032 1.00 0.00 O ATOM 534 NE2 GLN A 31 -5.615 8.355 4.341 1.00 0.00 N ATOM 0 H GLN A 31 -5.072 3.683 4.111 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.326 4.845 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.386 4.301 3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.033 5.457 4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.287 5.597 3.451 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.688 6.533 2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.711 8.523 3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.361 9.121 4.964 1.00 0.00 H new ATOM 543 N ALA A 32 -7.179 1.855 5.630 1.00 0.00 N ATOM 544 CA ALA A 32 -8.034 0.735 6.003 1.00 0.00 C ATOM 545 C ALA A 32 -7.301 -0.221 6.940 1.00 0.00 C ATOM 546 O ALA A 32 -7.911 -1.120 7.517 1.00 0.00 O ATOM 547 CB ALA A 32 -8.517 -0.001 4.760 1.00 0.00 C ATOM 0 H ALA A 32 -6.360 1.597 5.080 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.901 1.130 6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.154 -0.835 5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.084 0.684 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.659 -0.379 4.205 1.00 0.00 H new ATOM 553 N LYS A 33 -5.993 0.005 7.090 1.00 0.00 N ATOM 554 CA LYS A 33 -5.120 -0.836 7.919 1.00 0.00 C ATOM 555 C LYS A 33 -5.011 -2.250 7.353 1.00 0.00 C ATOM 556 O LYS A 33 -4.714 -3.202 8.073 1.00 0.00 O ATOM 557 CB LYS A 33 -5.605 -0.889 9.373 1.00 0.00 C ATOM 558 CG LYS A 33 -5.748 0.474 10.029 1.00 0.00 C ATOM 559 CD LYS A 33 -5.959 0.344 11.528 1.00 0.00 C ATOM 560 CE LYS A 33 -6.346 1.668 12.161 1.00 0.00 C ATOM 561 NZ LYS A 33 -7.720 2.083 11.785 1.00 0.00 N ATOM 0 H LYS A 33 -5.506 0.779 6.639 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.131 -0.379 7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.568 -1.399 9.405 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.907 -1.490 9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.856 1.069 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.589 1.007 9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.738 -0.393 11.723 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.046 -0.027 11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.276 1.585 13.246 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.638 2.438 11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.034 2.852 12.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.725 2.415 10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.366 1.273 11.881 1.00 0.00 H new ATOM 575 N LEU A 34 -5.225 -2.372 6.053 1.00 0.00 N ATOM 576 CA LEU A 34 -5.125 -3.654 5.374 1.00 0.00 C ATOM 577 C LEU A 34 -4.231 -3.512 4.157 1.00 0.00 C ATOM 578 O LEU A 34 -3.807 -2.410 3.820 1.00 0.00 O ATOM 579 CB LEU A 34 -6.507 -4.155 4.946 1.00 0.00 C ATOM 580 CG LEU A 34 -7.506 -4.386 6.083 1.00 0.00 C ATOM 581 CD1 LEU A 34 -8.866 -4.773 5.523 1.00 0.00 C ATOM 582 CD2 LEU A 34 -6.997 -5.467 7.027 1.00 0.00 C ATOM 0 H LEU A 34 -5.471 -1.592 5.443 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.696 -4.381 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.936 -3.434 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.382 -5.090 4.400 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.612 -3.457 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.565 -4.934 6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.237 -3.973 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.772 -5.690 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.719 -5.619 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.865 -6.398 6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.042 -5.159 7.452 1.00 0.00 H new ATOM 594 N ALA A 35 -3.950 -4.615 3.497 1.00 0.00 N ATOM 595 CA ALA A 35 -3.084 -4.597 2.333 1.00 0.00 C ATOM 596 C ALA A 35 -3.555 -5.604 1.301 1.00 0.00 C ATOM 597 O ALA A 35 -4.283 -6.543 1.627 1.00 0.00 O ATOM 598 CB ALA A 35 -1.644 -4.877 2.733 1.00 0.00 C ATOM 0 H ALA A 35 -4.308 -5.537 3.745 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.130 -3.603 1.888 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.010 -4.859 1.846 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.307 -4.115 3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.581 -5.858 3.204 1.00 0.00 H new ATOM 604 N TYR A 36 -3.141 -5.400 0.060 1.00 0.00 N ATOM 605 CA TYR A 36 -3.508 -6.288 -1.032 1.00 0.00 C ATOM 606 C TYR A 36 -2.260 -6.716 -1.800 1.00 0.00 C ATOM 607 O TYR A 36 -1.315 -5.938 -1.936 1.00 0.00 O ATOM 608 CB TYR A 36 -4.491 -5.588 -1.976 1.00 0.00 C ATOM 609 CG TYR A 36 -5.757 -5.113 -1.300 1.00 0.00 C ATOM 610 CD1 TYR A 36 -6.758 -6.010 -0.945 1.00 0.00 C ATOM 611 CD2 TYR A 36 -5.954 -3.767 -1.022 1.00 0.00 C ATOM 612 CE1 TYR A 36 -7.917 -5.577 -0.330 1.00 0.00 C ATOM 613 CE2 TYR A 36 -7.110 -3.327 -0.409 1.00 0.00 C ATOM 614 CZ TYR A 36 -8.089 -4.236 -0.066 1.00 0.00 C ATOM 615 OH TYR A 36 -9.244 -3.799 0.540 1.00 0.00 O ATOM 0 H TYR A 36 -2.545 -4.620 -0.217 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.990 -7.173 -0.617 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.993 -4.734 -2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.756 -6.273 -2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.628 -7.062 -1.153 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.190 -3.052 -1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.684 -6.286 -0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.247 -2.276 -0.199 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.205 -2.827 0.655 1.00 0.00 H new ATOM 625 N PRO A 37 -2.235 -7.962 -2.295 1.00 0.00 N ATOM 626 CA PRO A 37 -1.081 -8.505 -3.024 1.00 0.00 C ATOM 627 C PRO A 37 -0.870 -7.862 -4.399 1.00 0.00 C ATOM 628 O PRO A 37 -1.822 -7.540 -5.115 1.00 0.00 O ATOM 629 CB PRO A 37 -1.418 -9.989 -3.174 1.00 0.00 C ATOM 630 CG PRO A 37 -2.903 -10.056 -3.098 1.00 0.00 C ATOM 631 CD PRO A 37 -3.324 -8.947 -2.173 1.00 0.00 C ATOM 0 HA PRO A 37 -0.151 -8.311 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.053 -10.383 -4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.955 -10.581 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.350 -9.931 -4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.231 -11.024 -2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.284 -8.522 -2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.433 -9.300 -1.147 1.00 0.00 H new ATOM 639 N ILE A 38 0.394 -7.676 -4.746 1.00 0.00 N ATOM 640 CA ILE A 38 0.792 -7.144 -6.040 1.00 0.00 C ATOM 641 C ILE A 38 1.531 -8.207 -6.843 1.00 0.00 C ATOM 642 O ILE A 38 2.406 -8.890 -6.322 1.00 0.00 O ATOM 643 CB ILE A 38 1.698 -5.900 -5.857 1.00 0.00 C ATOM 644 CG1 ILE A 38 0.843 -4.664 -5.596 1.00 0.00 C ATOM 645 CG2 ILE A 38 2.605 -5.676 -7.064 1.00 0.00 C ATOM 646 CD1 ILE A 38 0.137 -4.145 -6.828 1.00 0.00 C ATOM 0 H ILE A 38 1.179 -7.892 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.106 -6.850 -6.582 1.00 0.00 H new ATOM 0 HB ILE A 38 2.341 -6.080 -4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.100 -4.901 -4.834 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.475 -3.874 -5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.224 -4.795 -6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.245 -6.547 -7.205 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.995 -5.526 -7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.452 -3.266 -6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.875 -3.876 -7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.522 -4.918 -7.223 1.00 0.00 H new ATOM 658 N LYS A 39 1.173 -8.357 -8.110 1.00 0.00 N ATOM 659 CA LYS A 39 1.883 -9.277 -8.980 1.00 0.00 C ATOM 660 C LYS A 39 2.680 -8.488 -10.011 1.00 0.00 C ATOM 661 O LYS A 39 2.332 -8.455 -11.194 1.00 0.00 O ATOM 662 CB LYS A 39 0.916 -10.244 -9.670 1.00 0.00 C ATOM 663 CG LYS A 39 1.582 -11.522 -10.150 1.00 0.00 C ATOM 664 CD LYS A 39 2.091 -12.341 -8.975 1.00 0.00 C ATOM 665 CE LYS A 39 2.889 -13.550 -9.432 1.00 0.00 C ATOM 666 NZ LYS A 39 4.153 -13.164 -10.108 1.00 0.00 N ATOM 0 H LYS A 39 0.402 -7.858 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 39 2.567 -9.873 -8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.113 -10.499 -8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.456 -9.741 -10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.872 -12.112 -10.729 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.411 -11.278 -10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.715 -11.714 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.247 -12.671 -8.369 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.117 -14.179 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.283 -14.147 -10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.771 -13.996 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.941 -12.796 -11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.634 -12.429 -9.551 1.00 0.00 H new ATOM 680 N ASP A 40 3.724 -7.818 -9.526 1.00 0.00 N ATOM 681 CA ASP A 40 4.571 -6.945 -10.343 1.00 0.00 C ATOM 682 C ASP A 40 3.728 -5.979 -11.179 1.00 0.00 C ATOM 683 O ASP A 40 3.698 -6.049 -12.408 1.00 0.00 O ATOM 684 CB ASP A 40 5.499 -7.765 -11.245 1.00 0.00 C ATOM 685 CG ASP A 40 6.610 -6.930 -11.857 1.00 0.00 C ATOM 686 OD1 ASP A 40 7.686 -6.813 -11.232 1.00 0.00 O ATOM 687 OD2 ASP A 40 6.420 -6.394 -12.970 1.00 0.00 O ATOM 0 H ASP A 40 4.010 -7.865 -8.548 1.00 0.00 H new ATOM 0 HA ASP A 40 5.187 -6.356 -9.663 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.938 -8.577 -10.665 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.913 -8.223 -12.042 1.00 0.00 H new ATOM 692 N GLY A 41 2.998 -5.109 -10.496 1.00 0.00 N ATOM 693 CA GLY A 41 2.215 -4.099 -11.182 1.00 0.00 C ATOM 694 C GLY A 41 0.777 -4.525 -11.394 1.00 0.00 C ATOM 695 O GLY A 41 -0.032 -3.757 -11.906 1.00 0.00 O ATOM 0 H GLY A 41 2.933 -5.084 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.235 -3.174 -10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.673 -3.883 -12.147 1.00 0.00 H new ATOM 699 N ILE A 42 0.467 -5.755 -11.007 1.00 0.00 N ATOM 700 CA ILE A 42 -0.888 -6.286 -11.117 1.00 0.00 C ATOM 701 C ILE A 42 -1.560 -6.314 -9.741 1.00 0.00 C ATOM 702 O ILE A 42 -1.399 -7.273 -8.982 1.00 0.00 O ATOM 703 CB ILE A 42 -0.902 -7.705 -11.737 1.00 0.00 C ATOM 704 CG1 ILE A 42 -0.205 -7.709 -13.106 1.00 0.00 C ATOM 705 CG2 ILE A 42 -2.332 -8.214 -11.871 1.00 0.00 C ATOM 706 CD1 ILE A 42 -0.841 -6.781 -14.123 1.00 0.00 C ATOM 0 H ILE A 42 1.141 -6.410 -10.611 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.445 -5.625 -11.781 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.355 -8.372 -11.071 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.839 -7.424 -12.972 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.210 -8.724 -13.502 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.323 -9.212 -12.308 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.798 -8.253 -10.886 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.899 -7.541 -12.514 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.292 -6.840 -15.063 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.877 -7.077 -14.288 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.812 -5.757 -13.750 1.00 0.00 H new ATOM 718 N PRO A 43 -2.252 -5.224 -9.367 1.00 0.00 N ATOM 719 CA PRO A 43 -2.884 -5.095 -8.050 1.00 0.00 C ATOM 720 C PRO A 43 -4.065 -6.043 -7.868 1.00 0.00 C ATOM 721 O PRO A 43 -5.122 -5.867 -8.481 1.00 0.00 O ATOM 722 CB PRO A 43 -3.370 -3.637 -8.011 1.00 0.00 C ATOM 723 CG PRO A 43 -2.722 -2.967 -9.178 1.00 0.00 C ATOM 724 CD PRO A 43 -2.500 -4.041 -10.199 1.00 0.00 C ATOM 0 HA PRO A 43 -2.186 -5.348 -7.252 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.456 -3.584 -8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.088 -3.154 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.357 -2.176 -9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.779 -2.503 -8.888 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.369 -4.173 -10.844 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.653 -3.816 -10.847 1.00 0.00 H new ATOM 732 N TYR A 44 -3.885 -7.048 -7.025 1.00 0.00 N ATOM 733 CA TYR A 44 -4.955 -7.972 -6.713 1.00 0.00 C ATOM 734 C TYR A 44 -5.644 -7.556 -5.428 1.00 0.00 C ATOM 735 O TYR A 44 -5.420 -8.131 -4.362 1.00 0.00 O ATOM 736 CB TYR A 44 -4.441 -9.406 -6.609 1.00 0.00 C ATOM 737 CG TYR A 44 -4.652 -10.207 -7.874 1.00 0.00 C ATOM 738 CD1 TYR A 44 -3.729 -10.175 -8.912 1.00 0.00 C ATOM 739 CD2 TYR A 44 -5.792 -10.985 -8.034 1.00 0.00 C ATOM 740 CE1 TYR A 44 -3.938 -10.896 -10.074 1.00 0.00 C ATOM 741 CE2 TYR A 44 -6.006 -11.711 -9.189 1.00 0.00 C ATOM 742 CZ TYR A 44 -5.079 -11.661 -10.207 1.00 0.00 C ATOM 743 OH TYR A 44 -5.297 -12.377 -11.364 1.00 0.00 O ATOM 0 H TYR A 44 -3.005 -7.241 -6.546 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.678 -7.941 -7.528 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.377 -9.388 -6.371 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.944 -9.906 -5.782 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.835 -9.578 -8.810 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.524 -11.023 -7.241 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.212 -10.860 -10.873 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.895 -12.315 -9.294 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.146 -12.862 -11.294 1.00 0.00 H new ATOM 753 N MET A 45 -6.462 -6.527 -5.541 1.00 0.00 N ATOM 754 CA MET A 45 -7.215 -6.011 -4.413 1.00 0.00 C ATOM 755 C MET A 45 -8.401 -6.912 -4.113 1.00 0.00 C ATOM 756 O MET A 45 -9.551 -6.571 -4.389 1.00 0.00 O ATOM 757 CB MET A 45 -7.680 -4.579 -4.686 1.00 0.00 C ATOM 758 CG MET A 45 -6.540 -3.578 -4.778 1.00 0.00 C ATOM 759 SD MET A 45 -7.107 -1.922 -5.216 1.00 0.00 S ATOM 760 CE MET A 45 -7.665 -2.185 -6.898 1.00 0.00 C ATOM 0 H MET A 45 -6.623 -6.026 -6.415 1.00 0.00 H new ATOM 0 HA MET A 45 -6.563 -5.996 -3.539 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.245 -4.560 -5.618 1.00 0.00 H new ATOM 0 HB3 MET A 45 -8.362 -4.270 -3.894 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.018 -3.539 -3.822 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.820 -3.920 -5.521 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.708 -1.230 -7.421 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.970 -2.849 -7.412 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.657 -2.636 -6.886 1.00 0.00 H new ATOM 770 N LEU A 46 -8.100 -8.088 -3.589 1.00 0.00 N ATOM 771 CA LEU A 46 -9.113 -9.050 -3.222 1.00 0.00 C ATOM 772 C LEU A 46 -9.157 -9.226 -1.713 1.00 0.00 C ATOM 773 O LEU A 46 -8.147 -9.561 -1.087 1.00 0.00 O ATOM 774 CB LEU A 46 -8.828 -10.394 -3.890 1.00 0.00 C ATOM 775 CG LEU A 46 -8.980 -10.418 -5.413 1.00 0.00 C ATOM 776 CD1 LEU A 46 -8.655 -11.802 -5.956 1.00 0.00 C ATOM 777 CD2 LEU A 46 -10.390 -10.010 -5.813 1.00 0.00 C ATOM 0 H LEU A 46 -7.145 -8.398 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.080 -8.679 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.811 -10.696 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.497 -11.141 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.278 -9.703 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.768 -11.803 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.629 -12.062 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.336 -12.533 -5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.481 -10.032 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.108 -10.703 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.593 -9.002 -5.453 1.00 0.00 H new ATOM 789 N GLU A 47 -10.329 -9.003 -1.136 1.00 0.00 N ATOM 790 CA GLU A 47 -10.529 -9.166 0.297 1.00 0.00 C ATOM 791 C GLU A 47 -10.388 -10.629 0.699 1.00 0.00 C ATOM 792 O GLU A 47 -10.051 -10.942 1.840 1.00 0.00 O ATOM 793 CB GLU A 47 -11.910 -8.649 0.695 1.00 0.00 C ATOM 794 CG GLU A 47 -12.055 -7.144 0.589 1.00 0.00 C ATOM 795 CD GLU A 47 -13.442 -6.671 0.970 1.00 0.00 C ATOM 796 OE1 GLU A 47 -13.701 -6.475 2.177 1.00 0.00 O ATOM 797 OE2 GLU A 47 -14.289 -6.507 0.066 1.00 0.00 O ATOM 0 H GLU A 47 -11.163 -8.706 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.765 -8.589 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.661 -9.122 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.120 -8.953 1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.320 -6.664 1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.835 -6.831 -0.432 1.00 0.00 H new ATOM 804 N ASN A 48 -10.661 -11.518 -0.250 1.00 0.00 N ATOM 805 CA ASN A 48 -10.520 -12.958 -0.032 1.00 0.00 C ATOM 806 C ASN A 48 -9.080 -13.325 0.307 1.00 0.00 C ATOM 807 O ASN A 48 -8.827 -14.266 1.059 1.00 0.00 O ATOM 808 CB ASN A 48 -10.977 -13.741 -1.269 1.00 0.00 C ATOM 809 CG ASN A 48 -10.950 -15.248 -1.058 1.00 0.00 C ATOM 810 OD1 ASN A 48 -11.915 -15.829 -0.564 1.00 0.00 O ATOM 811 ND2 ASN A 48 -9.853 -15.894 -1.436 1.00 0.00 N ATOM 0 H ASN A 48 -10.983 -11.267 -1.185 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.154 -13.226 0.813 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.989 -13.434 -1.534 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.335 -13.485 -2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.791 -16.906 -1.320 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.072 -15.379 -1.842 1.00 0.00 H new ATOM 818 N GLU A 49 -8.145 -12.567 -0.238 1.00 0.00 N ATOM 819 CA GLU A 49 -6.737 -12.817 -0.008 1.00 0.00 C ATOM 820 C GLU A 49 -6.290 -12.006 1.193 1.00 0.00 C ATOM 821 O GLU A 49 -6.094 -12.551 2.278 1.00 0.00 O ATOM 822 CB GLU A 49 -5.920 -12.441 -1.250 1.00 0.00 C ATOM 823 CG GLU A 49 -6.347 -13.173 -2.514 1.00 0.00 C ATOM 824 CD GLU A 49 -6.129 -14.670 -2.428 1.00 0.00 C ATOM 825 OE1 GLU A 49 -5.021 -15.131 -2.779 1.00 0.00 O ATOM 826 OE2 GLU A 49 -7.064 -15.389 -2.013 1.00 0.00 O ATOM 0 H GLU A 49 -8.339 -11.771 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.576 -13.877 0.189 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.005 -11.367 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.868 -12.651 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.402 -12.974 -2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.790 -12.778 -3.363 1.00 0.00 H new ATOM 833 N ALA A 50 -6.207 -10.693 0.981 1.00 0.00 N ATOM 834 CA ALA A 50 -5.850 -9.723 2.024 1.00 0.00 C ATOM 835 C ALA A 50 -4.485 -9.986 2.677 1.00 0.00 C ATOM 836 O ALA A 50 -4.101 -11.120 2.963 1.00 0.00 O ATOM 837 CB ALA A 50 -6.939 -9.666 3.089 1.00 0.00 C ATOM 0 H ALA A 50 -6.387 -10.265 0.073 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.767 -8.759 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.661 -8.943 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.881 -9.365 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.055 -10.650 3.543 1.00 0.00 H new ATOM 843 N ARG A 51 -3.748 -8.913 2.900 1.00 0.00 N ATOM 844 CA ARG A 51 -2.506 -8.965 3.641 1.00 0.00 C ATOM 845 C ARG A 51 -2.626 -8.084 4.887 1.00 0.00 C ATOM 846 O ARG A 51 -2.310 -6.899 4.850 1.00 0.00 O ATOM 847 CB ARG A 51 -1.357 -8.494 2.753 1.00 0.00 C ATOM 848 CG ARG A 51 -1.138 -9.361 1.521 1.00 0.00 C ATOM 849 CD ARG A 51 -0.536 -10.713 1.878 1.00 0.00 C ATOM 850 NE ARG A 51 0.884 -10.607 2.206 1.00 0.00 N ATOM 851 CZ ARG A 51 1.743 -11.623 2.161 1.00 0.00 C ATOM 852 NH1 ARG A 51 1.327 -12.851 1.878 1.00 0.00 N ATOM 853 NH2 ARG A 51 3.024 -11.406 2.416 1.00 0.00 N ATOM 0 H ARG A 51 -3.997 -7.980 2.571 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.301 -9.989 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.552 -7.470 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.439 -8.476 3.341 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.088 -9.511 1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.479 -8.843 0.825 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.074 -11.138 2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.665 -11.400 1.042 1.00 0.00 H new ATOM 0 HE ARG A 51 1.241 -9.694 2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.339 -13.025 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.995 -13.621 1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.346 -10.466 2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.689 -12.179 2.384 1.00 0.00 H new ATOM 867 N PRO A 52 -3.149 -8.636 5.991 1.00 0.00 N ATOM 868 CA PRO A 52 -3.446 -7.859 7.195 1.00 0.00 C ATOM 869 C PRO A 52 -2.192 -7.381 7.923 1.00 0.00 C ATOM 870 O PRO A 52 -1.177 -8.082 7.976 1.00 0.00 O ATOM 871 CB PRO A 52 -4.233 -8.833 8.084 1.00 0.00 C ATOM 872 CG PRO A 52 -4.543 -10.013 7.221 1.00 0.00 C ATOM 873 CD PRO A 52 -3.480 -10.053 6.163 1.00 0.00 C ATOM 0 HA PRO A 52 -3.992 -6.949 6.946 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.647 -9.128 8.954 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.147 -8.371 8.457 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.544 -10.933 7.806 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.533 -9.918 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.615 -10.636 6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.845 -10.500 5.238 1.00 0.00 H new ATOM 881 N LEU A 53 -2.282 -6.181 8.480 1.00 0.00 N ATOM 882 CA LEU A 53 -1.215 -5.594 9.250 1.00 0.00 C ATOM 883 C LEU A 53 -1.466 -5.797 10.732 1.00 0.00 C ATOM 884 O LEU A 53 -2.614 -5.834 11.178 1.00 0.00 O ATOM 885 CB LEU A 53 -1.128 -4.097 8.963 1.00 0.00 C ATOM 886 CG LEU A 53 -0.667 -3.711 7.560 1.00 0.00 C ATOM 887 CD1 LEU A 53 -1.771 -3.906 6.534 1.00 0.00 C ATOM 888 CD2 LEU A 53 -0.182 -2.273 7.552 1.00 0.00 C ATOM 0 H LEU A 53 -3.109 -5.589 8.404 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.280 -6.078 8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.110 -3.656 9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.446 -3.648 9.685 1.00 0.00 H new ATOM 0 HG LEU A 53 0.157 -4.369 7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.405 -3.621 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.074 -4.953 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.627 -3.284 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.145 -2.005 6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.994 -1.613 7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.652 -2.166 8.246 1.00 0.00 H new ATOM 900 N SER A 54 -0.397 -5.926 11.491 1.00 0.00 N ATOM 901 CA SER A 54 -0.502 -6.010 12.931 1.00 0.00 C ATOM 902 C SER A 54 -0.366 -4.616 13.542 1.00 0.00 C ATOM 903 O SER A 54 0.020 -3.668 12.853 1.00 0.00 O ATOM 904 CB SER A 54 0.572 -6.942 13.469 1.00 0.00 C ATOM 905 OG SER A 54 0.641 -8.134 12.703 1.00 0.00 O ATOM 0 H SER A 54 0.557 -5.975 11.132 1.00 0.00 H new ATOM 0 HA SER A 54 -1.478 -6.412 13.203 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.538 -6.438 13.451 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.359 -7.186 14.510 1.00 0.00 H new ATOM 0 HG SER A 54 1.340 -8.717 13.067 1.00 0.00 H new ATOM 911 N GLU A 55 -0.675 -4.485 14.824 1.00 0.00 N ATOM 912 CA GLU A 55 -0.596 -3.209 15.500 1.00 0.00 C ATOM 913 C GLU A 55 0.838 -2.711 15.581 1.00 0.00 C ATOM 914 O GLU A 55 1.095 -1.529 15.394 1.00 0.00 O ATOM 915 CB GLU A 55 -1.179 -3.335 16.891 1.00 0.00 C ATOM 916 CG GLU A 55 -2.670 -3.069 16.956 1.00 0.00 C ATOM 917 CD GLU A 55 -3.190 -3.077 18.374 1.00 0.00 C ATOM 918 OE1 GLU A 55 -3.396 -4.174 18.927 1.00 0.00 O ATOM 919 OE2 GLU A 55 -3.399 -1.988 18.948 1.00 0.00 O ATOM 0 H GLU A 55 -0.984 -5.256 15.416 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.170 -2.482 14.925 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.982 -4.339 17.268 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.666 -2.639 17.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.885 -2.104 16.497 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.198 -3.824 16.373 1.00 0.00 H new ATOM 926 N GLU A 56 1.757 -3.615 15.881 1.00 0.00 N ATOM 927 CA GLU A 56 3.178 -3.304 15.882 1.00 0.00 C ATOM 928 C GLU A 56 3.598 -2.710 14.538 1.00 0.00 C ATOM 929 O GLU A 56 4.330 -1.720 14.481 1.00 0.00 O ATOM 930 CB GLU A 56 3.954 -4.580 16.174 1.00 0.00 C ATOM 931 CG GLU A 56 5.329 -4.342 16.756 1.00 0.00 C ATOM 932 CD GLU A 56 6.435 -4.547 15.744 1.00 0.00 C ATOM 933 OE1 GLU A 56 6.757 -5.716 15.445 1.00 0.00 O ATOM 934 OE2 GLU A 56 6.992 -3.548 15.244 1.00 0.00 O ATOM 0 H GLU A 56 1.541 -4.580 16.130 1.00 0.00 H new ATOM 0 HA GLU A 56 3.393 -2.562 16.651 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.378 -5.193 16.867 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.055 -5.151 15.251 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.383 -3.326 17.146 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.484 -5.016 17.599 1.00 0.00 H new ATOM 941 N GLU A 57 3.119 -3.325 13.464 1.00 0.00 N ATOM 942 CA GLU A 57 3.323 -2.815 12.123 1.00 0.00 C ATOM 943 C GLU A 57 2.789 -1.397 11.990 1.00 0.00 C ATOM 944 O GLU A 57 3.487 -0.497 11.534 1.00 0.00 O ATOM 945 CB GLU A 57 2.607 -3.718 11.143 1.00 0.00 C ATOM 946 CG GLU A 57 3.093 -5.150 11.197 1.00 0.00 C ATOM 947 CD GLU A 57 4.577 -5.276 10.926 1.00 0.00 C ATOM 948 OE1 GLU A 57 5.013 -4.946 9.806 1.00 0.00 O ATOM 949 OE2 GLU A 57 5.317 -5.692 11.842 1.00 0.00 O ATOM 0 H GLU A 57 2.580 -4.190 13.503 1.00 0.00 H new ATOM 0 HA GLU A 57 4.392 -2.797 11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.537 -3.695 11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.744 -3.331 10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.871 -5.568 12.179 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.543 -5.743 10.466 1.00 0.00 H new ATOM 956 N LEU A 58 1.533 -1.232 12.377 1.00 0.00 N ATOM 957 CA LEU A 58 0.873 0.071 12.399 1.00 0.00 C ATOM 958 C LEU A 58 1.670 1.090 13.209 1.00 0.00 C ATOM 959 O LEU A 58 1.810 2.245 12.815 1.00 0.00 O ATOM 960 CB LEU A 58 -0.519 -0.078 13.002 1.00 0.00 C ATOM 961 CG LEU A 58 -1.474 -0.979 12.220 1.00 0.00 C ATOM 962 CD1 LEU A 58 -2.801 -1.115 12.950 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.695 -0.439 10.815 1.00 0.00 C ATOM 0 H LEU A 58 0.937 -2.000 12.687 1.00 0.00 H new ATOM 0 HA LEU A 58 0.805 0.434 11.373 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.419 -0.472 14.013 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.968 0.912 13.089 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.020 -1.967 12.141 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.467 -1.760 12.377 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.632 -1.551 13.935 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.257 -0.131 13.062 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.378 -1.096 10.276 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.124 0.561 10.873 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.742 -0.395 10.288 1.00 0.00 H new ATOM 975 N LYS A 59 2.150 0.652 14.359 1.00 0.00 N ATOM 976 CA LYS A 59 2.956 1.480 15.247 1.00 0.00 C ATOM 977 C LYS A 59 4.209 2.000 14.538 1.00 0.00 C ATOM 978 O LYS A 59 4.662 3.118 14.784 1.00 0.00 O ATOM 979 CB LYS A 59 3.334 0.643 16.471 1.00 0.00 C ATOM 980 CG LYS A 59 3.427 1.416 17.776 1.00 0.00 C ATOM 981 CD LYS A 59 4.715 2.215 17.900 1.00 0.00 C ATOM 982 CE LYS A 59 4.868 2.805 19.295 1.00 0.00 C ATOM 983 NZ LYS A 59 6.099 3.627 19.412 1.00 0.00 N ATOM 0 H LYS A 59 1.992 -0.293 14.708 1.00 0.00 H new ATOM 0 HA LYS A 59 2.379 2.353 15.554 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.598 -0.152 16.589 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.294 0.163 16.281 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.576 2.093 17.853 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.356 0.719 18.611 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.567 1.572 17.679 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.721 3.016 17.161 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.998 3.418 19.528 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.897 2.000 20.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.169 4.012 20.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.931 3.036 19.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.060 4.410 18.728 1.00 0.00 H new ATOM 997 N ALA A 60 4.746 1.189 13.644 1.00 0.00 N ATOM 998 CA ALA A 60 5.963 1.530 12.920 1.00 0.00 C ATOM 999 C ALA A 60 5.694 1.678 11.423 1.00 0.00 C ATOM 1000 O ALA A 60 6.440 1.158 10.589 1.00 0.00 O ATOM 1001 CB ALA A 60 7.027 0.470 13.165 1.00 0.00 C ATOM 0 H ALA A 60 4.355 0.279 13.398 1.00 0.00 H new ATOM 0 HA ALA A 60 6.323 2.490 13.290 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.934 0.732 12.620 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.247 0.415 14.231 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.663 -0.498 12.819 1.00 0.00 H new ATOM 1007 N LEU A 61 4.639 2.416 11.087 1.00 0.00 N ATOM 1008 CA LEU A 61 4.237 2.611 9.690 1.00 0.00 C ATOM 1009 C LEU A 61 5.008 3.755 9.046 1.00 0.00 C ATOM 1010 O LEU A 61 4.655 4.250 7.970 1.00 0.00 O ATOM 1011 CB LEU A 61 2.731 2.883 9.595 1.00 0.00 C ATOM 1012 CG LEU A 61 2.261 4.311 9.940 1.00 0.00 C ATOM 1013 CD1 LEU A 61 0.750 4.412 9.808 1.00 0.00 C ATOM 1014 CD2 LEU A 61 2.693 4.726 11.342 1.00 0.00 C ATOM 0 H LEU A 61 4.043 2.892 11.764 1.00 0.00 H new ATOM 0 HA LEU A 61 4.470 1.693 9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.408 2.655 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.217 2.186 10.257 1.00 0.00 H new ATOM 0 HG LEU A 61 2.733 4.993 9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.430 5.425 10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.458 4.178 8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.277 3.706 10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.342 5.738 11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.265 4.039 12.073 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.780 4.698 11.411 1.00 0.00 H new ATOM 1026 N GLU A 62 6.064 4.150 9.713 1.00 0.00 N ATOM 1027 CA GLU A 62 6.892 5.261 9.276 1.00 0.00 C ATOM 1028 C GLU A 62 7.792 4.844 8.120 1.00 0.00 C ATOM 1029 O GLU A 62 8.334 3.737 8.103 1.00 0.00 O ATOM 1030 CB GLU A 62 7.734 5.784 10.441 1.00 0.00 C ATOM 1031 CG GLU A 62 8.607 4.722 11.094 1.00 0.00 C ATOM 1032 CD GLU A 62 9.427 5.269 12.240 1.00 0.00 C ATOM 1033 OE1 GLU A 62 10.556 5.749 11.993 1.00 0.00 O ATOM 1034 OE2 GLU A 62 8.948 5.223 13.394 1.00 0.00 O ATOM 0 H GLU A 62 6.380 3.712 10.578 1.00 0.00 H new ATOM 0 HA GLU A 62 6.237 6.060 8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.370 6.594 10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.071 6.209 11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.976 3.911 11.458 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.275 4.295 10.346 1.00 0.00 H new ATOM 1041 N HIS A 63 7.944 5.734 7.153 1.00 0.00 N ATOM 1042 CA HIS A 63 8.758 5.457 5.981 1.00 0.00 C ATOM 1043 C HIS A 63 10.149 6.047 6.146 1.00 0.00 C ATOM 1044 O HIS A 63 10.306 7.254 6.346 1.00 0.00 O ATOM 1045 CB HIS A 63 8.103 6.019 4.716 1.00 0.00 C ATOM 1046 CG HIS A 63 6.732 5.481 4.456 1.00 0.00 C ATOM 1047 ND1 HIS A 63 6.471 4.145 4.237 1.00 0.00 N ATOM 1048 CD2 HIS A 63 5.536 6.111 4.386 1.00 0.00 C ATOM 1049 CE1 HIS A 63 5.178 3.980 4.043 1.00 0.00 C ATOM 1050 NE2 HIS A 63 4.591 5.154 4.129 1.00 0.00 N ATOM 0 H HIS A 63 7.512 6.658 7.157 1.00 0.00 H new ATOM 0 HA HIS A 63 8.841 4.375 5.879 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.048 7.104 4.798 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.739 5.796 3.859 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.360 7.169 4.510 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.684 3.040 3.847 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.591 5.324 4.021 1.00 0.00 H new ATOM 1059 N HIS A 64 11.154 5.190 6.064 1.00 0.00 N ATOM 1060 CA HIS A 64 12.541 5.615 6.177 1.00 0.00 C ATOM 1061 C HIS A 64 13.107 5.874 4.787 1.00 0.00 C ATOM 1062 O HIS A 64 13.252 4.950 3.988 1.00 0.00 O ATOM 1063 CB HIS A 64 13.371 4.550 6.904 1.00 0.00 C ATOM 1064 CG HIS A 64 12.864 4.229 8.279 1.00 0.00 C ATOM 1065 ND1 HIS A 64 12.495 2.960 8.673 1.00 0.00 N ATOM 1066 CD2 HIS A 64 12.662 5.024 9.355 1.00 0.00 C ATOM 1067 CE1 HIS A 64 12.089 2.992 9.929 1.00 0.00 C ATOM 1068 NE2 HIS A 64 12.178 4.233 10.367 1.00 0.00 N ATOM 0 H HIS A 64 11.034 4.188 5.918 1.00 0.00 H new ATOM 0 HA HIS A 64 12.586 6.535 6.759 1.00 0.00 H new ATOM 0 HB2 HIS A 64 13.380 3.638 6.307 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.403 4.893 6.977 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.848 6.087 9.408 1.00 0.00 H new ATOM 0 HE1 HIS A 64 11.742 2.144 10.502 1.00 0.00 H new ATOM 0 HE2 HIS A 64 11.928 4.552 11.303 1.00 0.00 H new ATOM 1077 N HIS A 65 13.405 7.133 4.495 1.00 0.00 N ATOM 1078 CA HIS A 65 13.842 7.523 3.158 1.00 0.00 C ATOM 1079 C HIS A 65 15.361 7.469 3.024 1.00 0.00 C ATOM 1080 O HIS A 65 16.079 8.242 3.659 1.00 0.00 O ATOM 1081 CB HIS A 65 13.342 8.935 2.823 1.00 0.00 C ATOM 1082 CG HIS A 65 13.634 9.364 1.411 1.00 0.00 C ATOM 1083 ND1 HIS A 65 12.720 9.260 0.385 1.00 0.00 N ATOM 1084 CD2 HIS A 65 14.752 9.890 0.857 1.00 0.00 C ATOM 1085 CE1 HIS A 65 13.262 9.700 -0.736 1.00 0.00 C ATOM 1086 NE2 HIS A 65 14.496 10.087 -0.478 1.00 0.00 N ATOM 0 H HIS A 65 13.353 7.902 5.164 1.00 0.00 H new ATOM 0 HA HIS A 65 13.414 6.810 2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.266 8.978 2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.801 9.645 3.511 1.00 0.00 H new ATOM 0 HD2 HIS A 65 15.675 10.114 1.371 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.777 9.737 -1.700 1.00 0.00 H new ATOM 0 HE2 HIS A 65 15.153 10.470 -1.158 1.00 0.00 H new ATOM 1095 N HIS A 66 15.837 6.549 2.195 1.00 0.00 N ATOM 1096 CA HIS A 66 17.249 6.491 1.833 1.00 0.00 C ATOM 1097 C HIS A 66 17.410 5.763 0.500 1.00 0.00 C ATOM 1098 O HIS A 66 18.330 6.041 -0.267 1.00 0.00 O ATOM 1099 CB HIS A 66 18.073 5.802 2.927 1.00 0.00 C ATOM 1100 CG HIS A 66 19.539 6.109 2.848 1.00 0.00 C ATOM 1101 ND1 HIS A 66 20.528 5.193 3.138 1.00 0.00 N ATOM 1102 CD2 HIS A 66 20.180 7.257 2.524 1.00 0.00 C ATOM 1103 CE1 HIS A 66 21.709 5.767 2.998 1.00 0.00 C ATOM 1104 NE2 HIS A 66 21.525 7.016 2.625 1.00 0.00 N ATOM 0 H HIS A 66 15.263 5.828 1.758 1.00 0.00 H new ATOM 0 HA HIS A 66 17.623 7.510 1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 66 17.697 6.109 3.903 1.00 0.00 H new ATOM 0 HB3 HIS A 66 17.930 4.724 2.855 1.00 0.00 H new ATOM 0 HD2 HIS A 66 19.717 8.190 2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 66 22.665 5.292 3.162 1.00 0.00 H new ATOM 0 HE2 HIS A 66 22.264 7.694 2.441 1.00 0.00 H new ATOM 1113 N HIS A 67 16.495 4.842 0.225 1.00 0.00 N ATOM 1114 CA HIS A 67 16.481 4.117 -1.039 1.00 0.00 C ATOM 1115 C HIS A 67 15.233 4.471 -1.839 1.00 0.00 C ATOM 1116 O HIS A 67 14.208 4.843 -1.266 1.00 0.00 O ATOM 1117 CB HIS A 67 16.512 2.600 -0.807 1.00 0.00 C ATOM 1118 CG HIS A 67 17.833 2.065 -0.350 1.00 0.00 C ATOM 1119 ND1 HIS A 67 18.749 1.491 -1.204 1.00 0.00 N ATOM 1120 CD2 HIS A 67 18.382 1.992 0.886 1.00 0.00 C ATOM 1121 CE1 HIS A 67 19.798 1.087 -0.515 1.00 0.00 C ATOM 1122 NE2 HIS A 67 19.602 1.380 0.755 1.00 0.00 N ATOM 0 H HIS A 67 15.747 4.578 0.866 1.00 0.00 H new ATOM 0 HA HIS A 67 17.371 4.409 -1.596 1.00 0.00 H new ATOM 0 HB2 HIS A 67 15.755 2.344 -0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 67 16.233 2.098 -1.734 1.00 0.00 H new ATOM 0 HD2 HIS A 67 17.941 2.350 1.805 1.00 0.00 H new ATOM 0 HE1 HIS A 67 20.671 0.598 -0.923 1.00 0.00 H new ATOM 0 HE2 HIS A 67 20.252 1.184 1.516 1.00 0.00 H new ATOM 1131 N HIS A 68 15.336 4.376 -3.156 1.00 0.00 N ATOM 1132 CA HIS A 68 14.189 4.546 -4.041 1.00 0.00 C ATOM 1133 C HIS A 68 14.467 3.865 -5.382 1.00 0.00 C ATOM 1134 O HIS A 68 15.025 4.508 -6.296 1.00 0.00 O ATOM 1135 CB HIS A 68 13.815 6.035 -4.216 1.00 0.00 C ATOM 1136 CG HIS A 68 14.876 6.909 -4.826 1.00 0.00 C ATOM 1137 ND1 HIS A 68 14.686 7.600 -6.002 1.00 0.00 N ATOM 1138 CD2 HIS A 68 16.127 7.221 -4.408 1.00 0.00 C ATOM 1139 CE1 HIS A 68 15.770 8.298 -6.280 1.00 0.00 C ATOM 1140 NE2 HIS A 68 16.660 8.087 -5.329 1.00 0.00 N ATOM 1141 OXT HIS A 68 14.177 2.659 -5.491 1.00 0.00 O ATOM 0 H HIS A 68 16.211 4.180 -3.641 1.00 0.00 H new ATOM 0 HA HIS A 68 13.323 4.067 -3.584 1.00 0.00 H new ATOM 0 HB2 HIS A 68 12.921 6.095 -4.836 1.00 0.00 H new ATOM 0 HB3 HIS A 68 13.553 6.442 -3.239 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.614 6.856 -3.516 1.00 0.00 H new ATOM 0 HE1 HIS A 68 15.906 8.935 -7.141 1.00 0.00 H new ATOM 0 HE2 HIS A 68 17.592 8.500 -5.286 1.00 0.00 H new TER 1150 HIS A 68