USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 504 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 5 ASN : amide:sc= -3.02 K(o=-3,f=-8.7!) USER MOD Set 1.2: A 6 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 1 LEU N :NH3+ -100:sc= 0.0966 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-2.6!) USER MOD Single : A 7 GLN : amide:sc= -7.1! C(o=-7.1!,f=-6.9!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.438 (180deg=-1.51!) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.0147 X(o=0.015,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 28:sc= 0.668 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.4) USER MOD Single : A 33 LYS NZ :NH3+ -122:sc= -0.0573 (180deg=-0.36) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.348 (180deg=-0.752) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.167) USER MOD Single : A 47 ASN : amide:sc= -1.89! C(o=-1.9!,f=-4.9!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.849! USER MOD Single : A 52 LYS NZ :NH3+ 174:sc=-0.000408 (180deg=-0.0728) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.923! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.83! C(o=-4.8!,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.453 11.425 -10.379 1.00 0.00 N ATOM 2 CA LEU A 1 2.355 9.974 -10.320 1.00 0.00 C ATOM 3 C LEU A 1 1.086 9.578 -9.542 1.00 0.00 C ATOM 4 O LEU A 1 0.542 10.382 -8.773 1.00 0.00 O ATOM 5 CB LEU A 1 3.618 9.447 -9.660 1.00 0.00 C ATOM 6 CG LEU A 1 3.897 7.978 -9.623 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.937 7.242 -8.671 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.807 7.339 -10.995 1.00 0.00 C ATOM 0 H1 LEU A 1 2.116 11.758 -11.305 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.869 11.843 -9.627 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.444 11.712 -10.247 1.00 0.00 H new ATOM 0 HA LEU A 1 2.272 9.539 -11.316 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.464 9.923 -10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.614 9.800 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 1 4.919 7.881 -9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.170 6.177 -8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.050 7.639 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.910 7.388 -9.005 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.018 6.273 -10.914 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.804 7.481 -11.398 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.534 7.803 -11.661 1.00 0.00 H new ATOM 22 N LYS A 2 0.356 8.688 -10.226 1.00 0.00 N ATOM 23 CA LYS A 2 -0.939 8.289 -9.694 1.00 0.00 C ATOM 24 C LYS A 2 -0.912 6.764 -9.534 1.00 0.00 C ATOM 25 O LYS A 2 -0.068 6.092 -10.092 1.00 0.00 O ATOM 26 CB LYS A 2 -2.066 8.794 -10.512 1.00 0.00 C ATOM 27 CG LYS A 2 -1.773 9.169 -11.966 1.00 0.00 C ATOM 28 CD LYS A 2 -2.687 8.410 -12.942 1.00 0.00 C ATOM 29 CE LYS A 2 -3.796 9.203 -13.463 1.00 0.00 C ATOM 30 NZ LYS A 2 -5.036 8.449 -13.665 1.00 0.00 N ATOM 0 H LYS A 2 0.628 8.252 -11.107 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.114 8.744 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.848 8.035 -10.512 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.475 9.673 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.908 10.242 -12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.731 8.948 -12.196 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.088 8.051 -13.778 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.089 7.532 -12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -3.993 10.026 -12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.496 9.646 -14.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.772 9.084 -14.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.868 7.680 -14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.350 8.048 -12.758 1.00 0.00 H new ATOM 44 N CYS A 3 -1.686 6.355 -8.536 1.00 0.00 N ATOM 45 CA CYS A 3 -1.404 5.000 -8.000 1.00 0.00 C ATOM 46 C CYS A 3 -2.674 4.466 -7.352 1.00 0.00 C ATOM 47 O CYS A 3 -3.756 5.049 -7.506 1.00 0.00 O ATOM 48 CB CYS A 3 -0.270 5.256 -6.984 1.00 0.00 C ATOM 49 SG CYS A 3 0.916 4.006 -6.662 1.00 0.00 S ATOM 0 H CYS A 3 -2.450 6.875 -8.103 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.108 4.255 -8.739 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.273 6.139 -7.320 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -0.738 5.512 -6.033 1.00 0.00 H new ATOM 54 N HIS A 4 -2.421 3.884 -6.128 1.00 0.00 N ATOM 55 CA HIS A 4 -3.476 3.086 -5.505 1.00 0.00 C ATOM 56 C HIS A 4 -3.440 3.236 -3.973 1.00 0.00 C ATOM 57 O HIS A 4 -2.420 2.833 -3.365 1.00 0.00 O ATOM 58 CB HIS A 4 -3.231 1.574 -5.819 1.00 0.00 C ATOM 59 CG HIS A 4 -4.055 1.127 -6.973 1.00 0.00 C ATOM 60 ND1 HIS A 4 -4.156 1.821 -8.158 1.00 0.00 N ATOM 61 CD2 HIS A 4 -4.748 -0.028 -7.165 1.00 0.00 C ATOM 62 CE1 HIS A 4 -5.011 1.197 -8.953 1.00 0.00 C ATOM 63 NE2 HIS A 4 -5.474 0.135 -8.323 1.00 0.00 N ATOM 0 H HIS A 4 -1.549 3.958 -5.604 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.434 3.430 -5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.176 1.411 -6.037 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.472 0.973 -4.942 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.732 -0.903 -6.532 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.284 1.506 -9.951 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.238 -0.462 -8.639 1.00 0.00 H new ATOM 72 N ASN A 5 -4.648 3.062 -3.375 1.00 0.00 N ATOM 73 CA ASN A 5 -4.796 2.910 -1.944 1.00 0.00 C ATOM 74 C ASN A 5 -5.992 1.991 -1.626 1.00 0.00 C ATOM 75 O ASN A 5 -5.848 1.026 -0.885 1.00 0.00 O ATOM 76 CB ASN A 5 -4.918 4.274 -1.262 1.00 0.00 C ATOM 77 CG ASN A 5 -5.790 5.243 -2.058 1.00 0.00 C ATOM 78 OD1 ASN A 5 -5.245 6.210 -2.631 1.00 0.00 O ATOM 79 ND2 ASN A 5 -7.089 5.230 -1.772 1.00 0.00 N ATOM 0 H ASN A 5 -5.529 3.026 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.901 2.434 -1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.340 4.143 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.925 4.704 -1.134 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -7.674 6.027 -2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.500 4.423 -1.303 1.00 0.00 H new ATOM 86 N THR A 6 -7.171 2.358 -2.131 1.00 0.00 N ATOM 87 CA THR A 6 -8.367 1.652 -1.857 1.00 0.00 C ATOM 88 C THR A 6 -8.302 0.211 -2.516 1.00 0.00 C ATOM 89 O THR A 6 -9.236 -0.551 -2.158 1.00 0.00 O ATOM 90 CB THR A 6 -9.686 2.330 -2.401 1.00 0.00 C ATOM 91 OG1 THR A 6 -9.536 3.761 -2.214 1.00 0.00 O ATOM 92 CG2 THR A 6 -10.984 1.800 -1.754 1.00 0.00 C ATOM 0 H THR A 6 -7.295 3.164 -2.744 1.00 0.00 H new ATOM 0 HA THR A 6 -8.425 1.630 -0.769 1.00 0.00 H new ATOM 0 HB THR A 6 -9.801 2.077 -3.455 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.337 4.220 -2.543 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.842 2.317 -2.183 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.074 0.730 -1.942 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.954 1.978 -0.679 1.00 0.00 H new ATOM 100 N GLN A 7 -8.029 0.295 -3.839 1.00 0.00 N ATOM 101 CA GLN A 7 -7.988 -0.843 -4.738 1.00 0.00 C ATOM 102 C GLN A 7 -9.267 -1.579 -4.939 1.00 0.00 C ATOM 103 O GLN A 7 -9.451 -2.282 -5.975 1.00 0.00 O ATOM 104 CB GLN A 7 -6.730 -1.625 -4.675 1.00 0.00 C ATOM 105 CG GLN A 7 -6.102 -1.918 -3.344 1.00 0.00 C ATOM 106 CD GLN A 7 -4.575 -2.052 -3.452 1.00 0.00 C ATOM 107 OE1 GLN A 7 -4.056 -3.158 -3.441 1.00 0.00 O ATOM 108 NE2 GLN A 7 -3.913 -0.910 -3.402 1.00 0.00 N ATOM 0 H GLN A 7 -7.830 1.181 -4.304 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.915 -0.397 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -6.916 -2.581 -5.165 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.989 -1.098 -5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.348 -1.121 -2.642 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.520 -2.840 -2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.420 -0.025 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.894 -0.913 -3.350 1.00 0.00 H new ATOM 117 N LEU A 8 -9.888 -2.019 -3.803 1.00 0.00 N ATOM 118 CA LEU A 8 -11.320 -2.276 -3.891 1.00 0.00 C ATOM 119 C LEU A 8 -11.926 -0.925 -4.485 1.00 0.00 C ATOM 120 O LEU A 8 -11.418 0.134 -4.127 1.00 0.00 O ATOM 121 CB LEU A 8 -11.850 -2.555 -2.521 1.00 0.00 C ATOM 122 CG LEU A 8 -13.091 -3.475 -2.399 1.00 0.00 C ATOM 123 CD1 LEU A 8 -12.902 -4.690 -3.287 1.00 0.00 C ATOM 124 CD2 LEU A 8 -13.133 -3.887 -0.924 1.00 0.00 C ATOM 0 H LEU A 8 -9.448 -2.186 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 8 -11.575 -3.135 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.045 -2.999 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.094 -1.600 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.015 -2.985 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.773 -5.340 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.786 -4.369 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.011 -5.235 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.987 -4.542 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.214 -4.414 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.228 -2.998 -0.300 1.00 0.00 H new ATOM 136 N PRO A 9 -12.651 -1.079 -5.520 1.00 0.00 N ATOM 137 CA PRO A 9 -12.273 -0.999 -6.930 1.00 0.00 C ATOM 138 C PRO A 9 -11.082 -0.236 -7.314 1.00 0.00 C ATOM 139 O PRO A 9 -10.489 0.552 -6.516 1.00 0.00 O ATOM 140 CB PRO A 9 -13.615 -0.708 -7.597 1.00 0.00 C ATOM 141 CG PRO A 9 -14.654 -1.324 -6.632 1.00 0.00 C ATOM 142 CD PRO A 9 -13.848 -2.064 -5.564 1.00 0.00 C ATOM 0 HA PRO A 9 -11.818 -1.917 -7.301 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.774 0.363 -7.724 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.674 -1.158 -8.588 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.278 -0.550 -6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.321 -2.006 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.371 -2.148 -4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.564 -3.073 -5.862 1.00 0.00 H new ATOM 150 N PHE A 10 -10.303 -0.783 -8.293 1.00 0.00 N ATOM 151 CA PHE A 10 -9.068 -0.235 -8.773 1.00 0.00 C ATOM 152 C PHE A 10 -9.063 1.291 -8.781 1.00 0.00 C ATOM 153 O PHE A 10 -8.013 1.904 -8.645 1.00 0.00 O ATOM 154 CB PHE A 10 -8.636 -0.771 -10.141 1.00 0.00 C ATOM 155 CG PHE A 10 -8.193 0.285 -11.101 1.00 0.00 C ATOM 156 CD1 PHE A 10 -9.209 1.113 -11.633 1.00 0.00 C ATOM 157 CD2 PHE A 10 -6.923 0.331 -11.682 1.00 0.00 C ATOM 158 CE1 PHE A 10 -8.961 1.915 -12.733 1.00 0.00 C ATOM 159 CE2 PHE A 10 -6.619 1.251 -12.692 1.00 0.00 C ATOM 160 CZ PHE A 10 -7.640 2.121 -13.145 1.00 0.00 C ATOM 0 H PHE A 10 -10.558 -1.650 -8.766 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.329 -0.579 -8.049 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.822 -1.482 -10.000 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.467 -1.321 -10.582 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.188 1.119 -11.176 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -6.161 -0.357 -11.345 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.778 2.377 -13.267 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.627 1.296 -13.117 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.400 2.941 -13.806 1.00 0.00 H new ATOM 170 N ILE A 11 -10.272 1.844 -8.732 1.00 0.00 N ATOM 171 CA ILE A 11 -10.516 3.241 -8.536 1.00 0.00 C ATOM 172 C ILE A 11 -9.499 3.833 -7.547 1.00 0.00 C ATOM 173 O ILE A 11 -9.058 3.184 -6.599 1.00 0.00 O ATOM 174 CB ILE A 11 -12.014 3.455 -8.013 1.00 0.00 C ATOM 175 CG1 ILE A 11 -12.633 4.629 -8.785 1.00 0.00 C ATOM 176 CG2 ILE A 11 -12.099 3.630 -6.491 1.00 0.00 C ATOM 177 CD1 ILE A 11 -13.659 4.375 -9.900 1.00 0.00 C ATOM 0 H ILE A 11 -11.128 1.299 -8.833 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.398 3.762 -9.486 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.592 2.552 -8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.109 5.281 -8.052 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -11.811 5.193 -9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -13.140 3.771 -6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.701 2.742 -6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -11.517 4.502 -6.192 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -13.978 5.327 -10.324 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.205 3.764 -10.680 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.523 3.853 -9.488 1.00 0.00 H new ATOM 189 N TYR A 12 -8.706 4.791 -8.109 1.00 0.00 N ATOM 190 CA TYR A 12 -7.451 5.188 -7.512 1.00 0.00 C ATOM 191 C TYR A 12 -7.543 6.718 -7.148 1.00 0.00 C ATOM 192 O TYR A 12 -8.339 7.393 -7.841 1.00 0.00 O ATOM 193 CB TYR A 12 -6.294 5.081 -8.541 1.00 0.00 C ATOM 194 CG TYR A 12 -6.806 5.329 -9.999 1.00 0.00 C ATOM 195 CD1 TYR A 12 -7.136 6.645 -10.328 1.00 0.00 C ATOM 196 CD2 TYR A 12 -7.532 4.301 -10.625 1.00 0.00 C ATOM 197 CE1 TYR A 12 -8.191 6.922 -11.197 1.00 0.00 C ATOM 198 CE2 TYR A 12 -8.775 4.575 -11.210 1.00 0.00 C ATOM 199 CZ TYR A 12 -9.096 5.907 -11.516 1.00 0.00 C ATOM 200 OH TYR A 12 -10.120 6.205 -12.367 1.00 0.00 O ATOM 0 H TYR A 12 -8.936 5.285 -8.971 1.00 0.00 H new ATOM 0 HA TYR A 12 -7.266 4.548 -6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.519 5.807 -8.297 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.837 4.093 -8.477 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.567 7.459 -9.904 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.131 3.299 -10.655 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.307 7.910 -11.618 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.472 3.778 -11.421 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.674 5.408 -12.504 1.00 0.00 H new ATOM 210 N LYS A 13 -6.300 7.217 -6.941 1.00 0.00 N ATOM 211 CA LYS A 13 -6.051 8.616 -6.899 1.00 0.00 C ATOM 212 C LYS A 13 -4.542 8.849 -7.328 1.00 0.00 C ATOM 213 O LYS A 13 -3.703 8.084 -6.897 1.00 0.00 O ATOM 214 CB LYS A 13 -6.165 9.249 -5.523 1.00 0.00 C ATOM 215 CG LYS A 13 -6.551 8.297 -4.429 1.00 0.00 C ATOM 216 CD LYS A 13 -6.680 8.899 -3.047 1.00 0.00 C ATOM 217 CE LYS A 13 -8.029 9.438 -2.746 1.00 0.00 C ATOM 218 NZ LYS A 13 -9.080 8.480 -3.124 1.00 0.00 N ATOM 0 H LYS A 13 -5.471 6.639 -6.803 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.802 9.066 -7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.210 9.707 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.902 10.051 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.502 7.835 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.810 7.499 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.430 8.139 -2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.948 9.700 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.104 9.664 -1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.177 10.375 -3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.948 8.688 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.273 8.560 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.763 7.514 -2.907 1.00 0.00 H new ATOM 232 N THR A 14 -4.330 10.149 -7.526 1.00 0.00 N ATOM 233 CA THR A 14 -2.995 10.720 -7.614 1.00 0.00 C ATOM 234 C THR A 14 -2.411 10.908 -6.239 1.00 0.00 C ATOM 235 O THR A 14 -3.158 11.098 -5.257 1.00 0.00 O ATOM 236 CB THR A 14 -3.068 12.075 -8.448 1.00 0.00 C ATOM 237 OG1 THR A 14 -3.428 11.670 -9.811 1.00 0.00 O ATOM 238 CG2 THR A 14 -1.779 12.883 -8.382 1.00 0.00 C ATOM 0 H THR A 14 -5.080 10.832 -7.629 1.00 0.00 H new ATOM 0 HA THR A 14 -2.324 10.040 -8.139 1.00 0.00 H new ATOM 0 HB THR A 14 -3.809 12.758 -8.033 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.492 12.464 -10.382 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.890 13.794 -8.969 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.565 13.143 -7.345 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.957 12.290 -8.784 1.00 0.00 H new ATOM 246 N CYS A 15 -1.095 10.929 -6.100 1.00 0.00 N ATOM 247 CA CYS A 15 -0.412 11.200 -4.879 1.00 0.00 C ATOM 248 C CYS A 15 -0.545 12.654 -4.438 1.00 0.00 C ATOM 249 O CYS A 15 -1.118 13.494 -5.102 1.00 0.00 O ATOM 250 CB CYS A 15 1.134 10.931 -5.114 1.00 0.00 C ATOM 251 SG CYS A 15 1.418 9.294 -5.801 1.00 0.00 S ATOM 0 H CYS A 15 -0.461 10.748 -6.878 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.850 10.563 -4.111 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.538 11.686 -5.789 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.670 11.029 -4.170 1.00 0.00 H new ATOM 256 N PRO A 16 0.215 12.922 -3.376 1.00 0.00 N ATOM 257 CA PRO A 16 0.281 14.280 -2.832 1.00 0.00 C ATOM 258 C PRO A 16 1.716 14.809 -2.976 1.00 0.00 C ATOM 259 O PRO A 16 2.425 14.456 -3.922 1.00 0.00 O ATOM 260 CB PRO A 16 -0.199 14.168 -1.406 1.00 0.00 C ATOM 261 CG PRO A 16 -0.604 12.706 -1.235 1.00 0.00 C ATOM 262 CD PRO A 16 0.357 11.962 -2.230 1.00 0.00 C ATOM 0 HA PRO A 16 -0.345 15.001 -3.358 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.587 14.444 -0.703 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.041 14.834 -1.220 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.467 12.365 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.652 12.544 -1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.379 11.882 -1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.026 10.952 -2.472 1.00 0.00 H new ATOM 270 N GLU A 17 1.935 15.962 -2.332 1.00 0.00 N ATOM 271 CA GLU A 17 3.289 16.504 -2.316 1.00 0.00 C ATOM 272 C GLU A 17 4.078 15.827 -1.210 1.00 0.00 C ATOM 273 O GLU A 17 3.552 15.255 -0.279 1.00 0.00 O ATOM 274 CB GLU A 17 3.129 18.012 -2.068 1.00 0.00 C ATOM 275 CG GLU A 17 1.939 18.746 -2.354 1.00 0.00 C ATOM 276 CD GLU A 17 1.103 18.271 -3.500 1.00 0.00 C ATOM 277 OE1 GLU A 17 1.717 17.537 -4.296 1.00 0.00 O ATOM 278 OE2 GLU A 17 -0.104 18.476 -3.586 1.00 0.00 O ATOM 0 H GLU A 17 1.229 16.510 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 17 3.831 16.331 -3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.337 18.170 -1.010 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.929 18.499 -2.626 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.317 18.744 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.219 19.782 -2.546 1.00 0.00 H new ATOM 285 N GLY A 18 5.321 15.437 -1.657 1.00 0.00 N ATOM 286 CA GLY A 18 6.187 14.697 -0.816 1.00 0.00 C ATOM 287 C GLY A 18 6.072 13.191 -1.006 1.00 0.00 C ATOM 288 O GLY A 18 6.454 12.414 -0.128 1.00 0.00 O ATOM 0 H GLY A 18 5.693 15.643 -2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.216 15.002 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.969 14.942 0.223 1.00 0.00 H new ATOM 292 N LYS A 19 5.421 12.801 -2.088 1.00 0.00 N ATOM 293 CA LYS A 19 4.977 11.448 -2.289 1.00 0.00 C ATOM 294 C LYS A 19 5.249 10.995 -3.701 1.00 0.00 C ATOM 295 O LYS A 19 4.398 10.908 -4.569 1.00 0.00 O ATOM 296 CB LYS A 19 3.477 11.290 -1.973 1.00 0.00 C ATOM 297 CG LYS A 19 3.237 11.420 -0.457 1.00 0.00 C ATOM 298 CD LYS A 19 2.934 10.108 0.231 1.00 0.00 C ATOM 299 CE LYS A 19 1.633 10.106 0.942 1.00 0.00 C ATOM 300 NZ LYS A 19 1.631 9.269 2.139 1.00 0.00 N ATOM 0 H LYS A 19 5.187 13.429 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 19 5.542 10.821 -1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.904 12.049 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.124 10.320 -2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.119 11.865 0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.408 12.107 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.937 9.308 -0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.729 9.886 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.378 11.128 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.856 9.758 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.695 9.310 2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.846 8.286 1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.351 9.614 2.805 1.00 0.00 H new ATOM 314 N ASN A 20 6.545 10.730 -3.963 1.00 0.00 N ATOM 315 CA ASN A 20 6.993 10.531 -5.338 1.00 0.00 C ATOM 316 C ASN A 20 6.859 9.036 -5.709 1.00 0.00 C ATOM 317 O ASN A 20 7.228 8.668 -6.834 1.00 0.00 O ATOM 318 CB ASN A 20 8.384 11.093 -5.524 1.00 0.00 C ATOM 319 CG ASN A 20 8.577 11.963 -6.734 1.00 0.00 C ATOM 320 OD1 ASN A 20 9.235 13.040 -6.616 1.00 0.00 O ATOM 321 ND2 ASN A 20 8.564 11.351 -7.933 1.00 0.00 N ATOM 0 H ASN A 20 7.275 10.652 -3.255 1.00 0.00 H new ATOM 0 HA ASN A 20 6.360 11.082 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.644 11.672 -4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.087 10.262 -5.580 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.075 11.755 -8.718 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.043 10.483 -8.057 1.00 0.00 H new ATOM 328 N LEU A 21 6.750 8.212 -4.701 1.00 0.00 N ATOM 329 CA LEU A 21 6.821 6.755 -4.739 1.00 0.00 C ATOM 330 C LEU A 21 5.420 6.148 -4.572 1.00 0.00 C ATOM 331 O LEU A 21 4.431 6.872 -4.420 1.00 0.00 O ATOM 332 CB LEU A 21 7.827 6.439 -3.615 1.00 0.00 C ATOM 333 CG LEU A 21 9.152 7.231 -3.857 1.00 0.00 C ATOM 334 CD1 LEU A 21 10.217 6.612 -2.947 1.00 0.00 C ATOM 335 CD2 LEU A 21 9.528 7.122 -5.301 1.00 0.00 C ATOM 0 H LEU A 21 6.597 8.558 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 21 7.157 6.321 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.403 6.708 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.032 5.369 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 21 9.046 8.291 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.162 7.137 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.902 6.698 -1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.346 5.560 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 21 10.452 7.672 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.674 6.074 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.732 7.541 -5.917 1.00 0.00 H new ATOM 347 N CYS A 22 5.427 4.882 -4.108 1.00 0.00 N ATOM 348 CA CYS A 22 4.224 4.178 -3.776 1.00 0.00 C ATOM 349 C CYS A 22 4.532 2.958 -2.868 1.00 0.00 C ATOM 350 O CYS A 22 5.716 2.667 -2.628 1.00 0.00 O ATOM 351 CB CYS A 22 3.555 3.626 -5.062 1.00 0.00 C ATOM 352 SG CYS A 22 2.735 4.817 -6.132 1.00 0.00 S ATOM 0 H CYS A 22 6.279 4.340 -3.962 1.00 0.00 H new ATOM 0 HA CYS A 22 3.568 4.881 -3.262 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.318 3.114 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.822 2.875 -4.767 1.00 0.00 H new ATOM 357 N PHE A 23 3.676 2.889 -1.764 1.00 0.00 N ATOM 358 CA PHE A 23 3.853 1.720 -0.946 1.00 0.00 C ATOM 359 C PHE A 23 2.405 1.057 -0.780 1.00 0.00 C ATOM 360 O PHE A 23 1.462 1.790 -0.521 1.00 0.00 O ATOM 361 CB PHE A 23 4.307 1.886 0.507 1.00 0.00 C ATOM 362 CG PHE A 23 3.321 2.729 1.325 1.00 0.00 C ATOM 363 CD1 PHE A 23 2.728 3.868 0.751 1.00 0.00 C ATOM 364 CD2 PHE A 23 2.562 1.980 2.258 1.00 0.00 C ATOM 365 CE1 PHE A 23 1.408 4.218 1.057 1.00 0.00 C ATOM 366 CE2 PHE A 23 1.256 2.317 2.560 1.00 0.00 C ATOM 367 CZ PHE A 23 0.737 3.525 2.082 1.00 0.00 C ATOM 0 H PHE A 23 2.961 3.561 -1.487 1.00 0.00 H new ATOM 0 HA PHE A 23 4.640 1.174 -1.466 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.413 0.904 0.968 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.290 2.356 0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.298 4.479 0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.014 1.128 2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.911 5.009 0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.644 1.657 3.157 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.176 3.925 2.498 1.00 0.00 H new ATOM 377 N LYS A 24 2.626 -0.015 0.021 1.00 0.00 N ATOM 378 CA LYS A 24 1.547 -0.807 0.514 1.00 0.00 C ATOM 379 C LYS A 24 2.153 -1.653 1.655 1.00 0.00 C ATOM 380 O LYS A 24 3.333 -1.799 1.803 1.00 0.00 O ATOM 381 CB LYS A 24 1.095 -1.792 -0.609 1.00 0.00 C ATOM 382 CG LYS A 24 2.110 -2.853 -0.931 1.00 0.00 C ATOM 383 CD LYS A 24 1.600 -4.153 -1.490 1.00 0.00 C ATOM 384 CE LYS A 24 2.628 -5.222 -1.500 1.00 0.00 C ATOM 385 NZ LYS A 24 2.658 -5.961 -2.766 1.00 0.00 N ATOM 0 H LYS A 24 3.551 -0.324 0.321 1.00 0.00 H new ATOM 0 HA LYS A 24 0.704 -0.195 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.165 -2.273 -0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.879 -1.223 -1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.819 -2.435 -1.645 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.667 -3.074 -0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.745 -4.485 -0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.243 -3.990 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.608 -4.781 -1.317 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.434 -5.916 -0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.392 -6.696 -2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.732 -6.406 -2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.870 -5.306 -3.545 1.00 0.00 H new ATOM 399 N ALA A 25 1.215 -2.013 2.556 1.00 0.00 N ATOM 400 CA ALA A 25 1.549 -2.928 3.582 1.00 0.00 C ATOM 401 C ALA A 25 0.498 -4.015 3.769 1.00 0.00 C ATOM 402 O ALA A 25 -0.669 -3.850 3.454 1.00 0.00 O ATOM 403 CB ALA A 25 2.047 -2.300 4.835 1.00 0.00 C ATOM 0 H ALA A 25 0.253 -1.675 2.567 1.00 0.00 H new ATOM 0 HA ALA A 25 2.431 -3.459 3.224 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.278 -3.076 5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.947 -1.724 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.281 -1.638 5.240 1.00 0.00 H new ATOM 409 N THR A 26 0.850 -4.909 4.741 1.00 0.00 N ATOM 410 CA THR A 26 -0.111 -5.999 5.007 1.00 0.00 C ATOM 411 C THR A 26 0.005 -6.476 6.423 1.00 0.00 C ATOM 412 O THR A 26 1.165 -6.744 6.890 1.00 0.00 O ATOM 413 CB THR A 26 0.258 -7.185 3.990 1.00 0.00 C ATOM 414 OG1 THR A 26 1.626 -7.546 4.296 1.00 0.00 O ATOM 415 CG2 THR A 26 0.041 -6.789 2.527 1.00 0.00 C ATOM 0 H THR A 26 1.704 -4.899 5.298 1.00 0.00 H new ATOM 0 HA THR A 26 -1.136 -5.657 4.866 1.00 0.00 H new ATOM 0 HB THR A 26 -0.401 -8.044 4.117 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.813 -7.349 5.238 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.305 -7.626 1.881 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.006 -6.527 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.669 -5.932 2.285 1.00 0.00 H new ATOM 423 N LEU A 27 -1.018 -7.202 6.914 1.00 0.00 N ATOM 424 CA LEU A 27 -1.015 -7.575 8.347 1.00 0.00 C ATOM 425 C LEU A 27 -0.825 -9.058 8.491 1.00 0.00 C ATOM 426 O LEU A 27 -1.443 -9.871 7.791 1.00 0.00 O ATOM 427 CB LEU A 27 -2.374 -7.055 8.871 1.00 0.00 C ATOM 428 CG LEU A 27 -2.297 -5.980 9.966 1.00 0.00 C ATOM 429 CD1 LEU A 27 -3.667 -5.410 10.258 1.00 0.00 C ATOM 430 CD2 LEU A 27 -1.693 -6.650 11.198 1.00 0.00 C ATOM 0 H LEU A 27 -1.820 -7.529 6.375 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.198 -7.143 8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.937 -6.651 8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.942 -7.901 9.257 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.679 -5.140 9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.587 -4.651 11.036 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.074 -4.960 9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.329 -6.208 10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.617 -5.923 12.007 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.330 -7.477 11.511 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.700 -7.028 10.956 1.00 0.00 H new ATOM 442 N LYS A 28 -0.160 -9.472 9.586 1.00 0.00 N ATOM 443 CA LYS A 28 -0.066 -10.905 9.885 1.00 0.00 C ATOM 444 C LYS A 28 -1.308 -11.359 10.631 1.00 0.00 C ATOM 445 O LYS A 28 -1.288 -12.088 11.605 1.00 0.00 O ATOM 446 CB LYS A 28 1.188 -11.244 10.649 1.00 0.00 C ATOM 447 CG LYS A 28 2.466 -11.182 9.779 1.00 0.00 C ATOM 448 CD LYS A 28 3.199 -12.535 9.799 1.00 0.00 C ATOM 449 CE LYS A 28 4.058 -12.663 11.011 1.00 0.00 C ATOM 450 NZ LYS A 28 3.726 -13.833 11.804 1.00 0.00 N ATOM 0 H LYS A 28 0.304 -8.856 10.254 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.006 -11.444 8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.293 -10.555 11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.090 -12.245 11.069 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.203 -10.920 8.754 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.127 -10.398 10.149 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.472 -13.346 9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.812 -12.633 8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.104 -12.718 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.951 -11.769 11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.350 -13.878 12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.736 -13.771 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.853 -14.690 11.229 1.00 0.00 H new ATOM 464 N LYS A 29 -2.452 -10.942 10.069 1.00 0.00 N ATOM 465 CA LYS A 29 -3.771 -11.306 10.539 1.00 0.00 C ATOM 466 C LYS A 29 -4.025 -12.817 10.461 1.00 0.00 C ATOM 467 O LYS A 29 -4.703 -13.379 11.337 1.00 0.00 O ATOM 468 CB LYS A 29 -4.854 -10.624 9.724 1.00 0.00 C ATOM 469 CG LYS A 29 -5.713 -9.596 10.432 1.00 0.00 C ATOM 470 CD LYS A 29 -7.190 -9.659 10.036 1.00 0.00 C ATOM 471 CE LYS A 29 -7.491 -9.568 8.610 1.00 0.00 C ATOM 472 NZ LYS A 29 -8.956 -9.300 8.397 1.00 0.00 N ATOM 0 H LYS A 29 -2.472 -10.327 9.255 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.808 -10.983 11.579 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.379 -10.138 8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.512 -11.396 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.627 -9.742 11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.328 -8.600 10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.603 -10.595 10.412 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.714 -8.851 10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.900 -8.772 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.209 -10.496 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.243 -9.661 7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.508 -9.777 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.131 -8.276 8.440 1.00 0.00 H new ATOM 486 N PHE A 30 -4.129 -13.262 9.181 1.00 0.00 N ATOM 487 CA PHE A 30 -4.622 -14.593 8.894 1.00 0.00 C ATOM 488 C PHE A 30 -3.549 -15.351 8.095 1.00 0.00 C ATOM 489 O PHE A 30 -2.717 -14.788 7.393 1.00 0.00 O ATOM 490 CB PHE A 30 -5.937 -14.635 8.086 1.00 0.00 C ATOM 491 CG PHE A 30 -6.988 -15.555 8.657 1.00 0.00 C ATOM 492 CD1 PHE A 30 -7.835 -15.201 9.712 1.00 0.00 C ATOM 493 CD2 PHE A 30 -7.371 -16.652 7.862 1.00 0.00 C ATOM 494 CE1 PHE A 30 -9.050 -15.868 9.930 1.00 0.00 C ATOM 495 CE2 PHE A 30 -8.582 -17.304 8.039 1.00 0.00 C ATOM 496 CZ PHE A 30 -9.458 -16.870 9.038 1.00 0.00 C ATOM 0 H PHE A 30 -3.877 -12.713 8.359 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.835 -15.049 9.861 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.346 -13.626 8.028 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.713 -14.947 7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.548 -14.397 10.373 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.700 -16.997 7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.667 -15.611 10.779 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.846 -18.141 7.410 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.443 -17.304 9.122 1.00 0.00 H new ATOM 506 N PRO A 31 -3.406 -16.631 8.462 1.00 0.00 N ATOM 507 CA PRO A 31 -2.520 -17.539 7.718 1.00 0.00 C ATOM 508 C PRO A 31 -2.924 -17.615 6.261 1.00 0.00 C ATOM 509 O PRO A 31 -2.872 -18.686 5.624 1.00 0.00 O ATOM 510 CB PRO A 31 -2.549 -18.828 8.504 1.00 0.00 C ATOM 511 CG PRO A 31 -2.982 -18.429 9.917 1.00 0.00 C ATOM 512 CD PRO A 31 -3.731 -17.132 9.812 1.00 0.00 C ATOM 0 HA PRO A 31 -1.485 -17.205 7.643 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.247 -19.541 8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.569 -19.306 8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.613 -19.201 10.357 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.114 -18.319 10.567 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.804 -17.281 9.933 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.418 -16.428 10.583 1.00 0.00 H new ATOM 520 N LEU A 32 -2.515 -16.487 5.540 1.00 0.00 N ATOM 521 CA LEU A 32 -3.315 -16.349 4.242 1.00 0.00 C ATOM 522 C LEU A 32 -3.299 -14.784 4.027 1.00 0.00 C ATOM 523 O LEU A 32 -2.150 -14.294 3.918 1.00 0.00 O ATOM 524 CB LEU A 32 -4.687 -16.858 4.697 1.00 0.00 C ATOM 525 CG LEU A 32 -5.890 -16.492 3.919 1.00 0.00 C ATOM 526 CD1 LEU A 32 -6.966 -15.859 4.797 1.00 0.00 C ATOM 527 CD2 LEU A 32 -5.606 -15.582 2.720 1.00 0.00 C ATOM 0 H LEU A 32 -1.798 -15.798 5.765 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.989 -16.860 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.638 -17.946 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.841 -16.514 5.720 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.256 -17.439 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.832 -15.606 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.264 -16.564 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.572 -14.955 5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.539 -15.360 2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.154 -14.653 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.922 -16.084 2.036 1.00 0.00 H new ATOM 539 N LYS A 33 -4.162 -14.194 4.898 1.00 0.00 N ATOM 540 CA LYS A 33 -4.168 -12.797 5.203 1.00 0.00 C ATOM 541 C LYS A 33 -4.893 -11.945 4.198 1.00 0.00 C ATOM 542 O LYS A 33 -5.466 -12.437 3.213 1.00 0.00 O ATOM 543 CB LYS A 33 -2.754 -12.263 5.489 1.00 0.00 C ATOM 544 CG LYS A 33 -2.071 -11.584 4.332 1.00 0.00 C ATOM 545 CD LYS A 33 -0.574 -11.635 4.294 1.00 0.00 C ATOM 546 CE LYS A 33 0.030 -11.277 2.965 1.00 0.00 C ATOM 547 NZ LYS A 33 -0.279 -12.278 1.966 1.00 0.00 N ATOM 0 H LYS A 33 -4.877 -14.718 5.402 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.750 -12.714 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.812 -11.558 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.131 -13.094 5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.447 -12.027 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.373 -10.537 4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.181 -10.957 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.251 -12.640 4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.346 -10.307 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.111 -11.182 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.605 -12.662 1.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.827 -13.046 2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.837 -11.845 1.202 1.00 0.00 H new ATOM 561 N PHE A 34 -4.854 -10.642 4.406 1.00 0.00 N ATOM 562 CA PHE A 34 -5.769 -9.689 3.782 1.00 0.00 C ATOM 563 C PHE A 34 -5.079 -8.293 3.875 1.00 0.00 C ATOM 564 O PHE A 34 -5.731 -7.272 3.902 1.00 0.00 O ATOM 565 CB PHE A 34 -7.056 -9.586 4.630 1.00 0.00 C ATOM 566 CG PHE A 34 -8.215 -9.013 3.898 1.00 0.00 C ATOM 567 CD1 PHE A 34 -8.246 -8.799 2.520 1.00 0.00 C ATOM 568 CD2 PHE A 34 -9.413 -8.862 4.640 1.00 0.00 C ATOM 569 CE1 PHE A 34 -9.464 -8.697 1.835 1.00 0.00 C ATOM 570 CE2 PHE A 34 -10.633 -8.894 3.957 1.00 0.00 C ATOM 571 CZ PHE A 34 -10.653 -8.597 2.600 1.00 0.00 C ATOM 0 H PHE A 34 -4.173 -10.202 5.025 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.001 -9.994 2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.322 -10.579 4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.853 -8.972 5.507 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.319 -8.711 1.974 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.384 -8.725 5.711 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.496 -8.695 0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.546 -9.146 4.477 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.575 -8.290 2.128 1.00 0.00 H new ATOM 581 N PRO A 35 -3.761 -8.353 3.667 1.00 0.00 N ATOM 582 CA PRO A 35 -2.987 -7.089 3.530 1.00 0.00 C ATOM 583 C PRO A 35 -3.314 -6.029 4.484 1.00 0.00 C ATOM 584 O PRO A 35 -3.808 -6.269 5.615 1.00 0.00 O ATOM 585 CB PRO A 35 -3.298 -6.748 2.035 1.00 0.00 C ATOM 586 CG PRO A 35 -3.364 -8.119 1.370 1.00 0.00 C ATOM 587 CD PRO A 35 -3.276 -9.184 2.438 1.00 0.00 C ATOM 0 HA PRO A 35 -1.928 -7.194 3.768 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.238 -6.206 1.933 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.520 -6.124 1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.293 -8.222 0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.548 -8.232 0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.918 -10.040 2.231 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -2.264 -9.568 2.565 1.00 0.00 H new ATOM 595 N VAL A 36 -2.833 -4.767 4.264 1.00 0.00 N ATOM 596 CA VAL A 36 -3.082 -3.750 5.271 1.00 0.00 C ATOM 597 C VAL A 36 -3.732 -2.491 4.679 1.00 0.00 C ATOM 598 O VAL A 36 -4.804 -2.034 5.005 1.00 0.00 O ATOM 599 CB VAL A 36 -1.857 -3.447 6.139 1.00 0.00 C ATOM 600 CG1 VAL A 36 -1.360 -2.014 6.039 1.00 0.00 C ATOM 601 CG2 VAL A 36 -2.249 -3.731 7.614 1.00 0.00 C ATOM 0 H VAL A 36 -2.306 -4.466 3.444 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.815 -4.175 5.956 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.043 -4.078 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.491 -1.884 6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.082 -1.796 5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.150 -1.332 6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.398 -3.525 8.263 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.085 -3.091 7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.540 -4.776 7.718 1.00 0.00 H new ATOM 611 N LYS A 37 -2.852 -1.792 3.940 1.00 0.00 N ATOM 612 CA LYS A 37 -2.979 -0.464 3.455 1.00 0.00 C ATOM 613 C LYS A 37 -2.101 -0.326 2.164 1.00 0.00 C ATOM 614 O LYS A 37 -0.892 -0.652 2.290 1.00 0.00 O ATOM 615 CB LYS A 37 -2.514 0.558 4.474 1.00 0.00 C ATOM 616 CG LYS A 37 -3.533 0.682 5.632 1.00 0.00 C ATOM 617 CD LYS A 37 -3.114 1.529 6.760 1.00 0.00 C ATOM 618 CE LYS A 37 -4.197 1.889 7.708 1.00 0.00 C ATOM 619 NZ LYS A 37 -5.473 2.172 7.033 1.00 0.00 N ATOM 0 H LYS A 37 -1.964 -2.207 3.658 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.032 -0.273 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.541 0.267 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.385 1.527 3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.466 1.078 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.748 -0.317 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.327 1.013 7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.678 2.446 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.339 1.074 8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.894 2.763 8.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.070 2.759 7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.290 2.680 6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.962 1.278 6.827 1.00 0.00 H new ATOM 633 N ARG A 38 -2.385 0.821 1.499 1.00 0.00 N ATOM 634 CA ARG A 38 -1.517 1.288 0.448 1.00 0.00 C ATOM 635 C ARG A 38 -1.934 2.743 0.052 1.00 0.00 C ATOM 636 O ARG A 38 -2.884 3.299 0.524 1.00 0.00 O ATOM 637 CB ARG A 38 -1.732 0.447 -0.836 1.00 0.00 C ATOM 638 CG ARG A 38 -2.292 -0.910 -0.734 1.00 0.00 C ATOM 639 CD ARG A 38 -3.761 -1.007 -0.587 1.00 0.00 C ATOM 640 NE ARG A 38 -4.204 -2.420 -0.734 1.00 0.00 N ATOM 641 CZ ARG A 38 -5.115 -2.923 0.101 1.00 0.00 C ATOM 642 NH1 ARG A 38 -5.778 -2.139 0.947 1.00 0.00 N ATOM 643 NH2 ARG A 38 -5.319 -4.237 0.127 1.00 0.00 N ATOM 0 H ARG A 38 -3.196 1.412 1.683 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.490 1.224 0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.385 1.020 -1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.767 0.364 -1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.000 -1.468 -1.624 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.830 -1.407 0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.061 -0.624 0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.250 -0.386 -1.337 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.811 -3.004 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.593 -1.136 0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.471 -2.541 1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.782 -4.849 -0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.013 -4.633 0.761 1.00 0.00 H new ATOM 657 N GLY A 39 -1.111 3.265 -0.852 1.00 0.00 N ATOM 658 CA GLY A 39 -1.080 4.650 -1.193 1.00 0.00 C ATOM 659 C GLY A 39 0.226 4.967 -1.922 1.00 0.00 C ATOM 660 O GLY A 39 0.896 4.083 -2.466 1.00 0.00 O ATOM 0 H GLY A 39 -0.435 2.705 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.932 4.899 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.163 5.259 -0.293 1.00 0.00 H new ATOM 664 N CYS A 40 0.602 6.228 -1.910 1.00 0.00 N ATOM 665 CA CYS A 40 1.948 6.587 -2.310 1.00 0.00 C ATOM 666 C CYS A 40 2.900 6.613 -1.152 1.00 0.00 C ATOM 667 O CYS A 40 2.617 6.484 0.016 1.00 0.00 O ATOM 668 CB CYS A 40 1.858 8.014 -2.975 1.00 0.00 C ATOM 669 SG CYS A 40 0.827 7.885 -4.481 1.00 0.00 S ATOM 0 H CYS A 40 0.008 7.010 -1.633 1.00 0.00 H new ATOM 0 HA CYS A 40 2.336 5.841 -3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.423 8.731 -2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.854 8.378 -3.227 1.00 0.00 H new ATOM 674 N ALA A 41 4.118 7.061 -1.547 1.00 0.00 N ATOM 675 CA ALA A 41 5.302 6.765 -0.752 1.00 0.00 C ATOM 676 C ALA A 41 6.292 7.900 -0.870 1.00 0.00 C ATOM 677 O ALA A 41 6.144 8.823 -1.701 1.00 0.00 O ATOM 678 CB ALA A 41 5.835 5.411 -1.221 1.00 0.00 C ATOM 0 H ALA A 41 4.289 7.612 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 41 5.083 6.686 0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.725 5.152 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.072 4.648 -1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.089 5.467 -2.280 1.00 0.00 H new ATOM 684 N ASP A 42 7.442 7.765 -0.216 1.00 0.00 N ATOM 685 CA ASP A 42 8.341 8.843 0.041 1.00 0.00 C ATOM 686 C ASP A 42 9.729 8.329 0.457 1.00 0.00 C ATOM 687 O ASP A 42 10.705 8.466 -0.266 1.00 0.00 O ATOM 688 CB ASP A 42 7.759 9.767 1.144 1.00 0.00 C ATOM 689 CG ASP A 42 8.458 11.109 1.163 1.00 0.00 C ATOM 690 OD1 ASP A 42 9.485 11.285 0.458 1.00 0.00 O ATOM 691 OD2 ASP A 42 8.274 11.804 2.196 1.00 0.00 O ATOM 0 H ASP A 42 7.767 6.871 0.152 1.00 0.00 H new ATOM 0 HA ASP A 42 8.459 9.412 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.692 9.913 0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.864 9.286 2.117 1.00 0.00 H new ATOM 696 N ASN A 43 9.794 7.827 1.687 1.00 0.00 N ATOM 697 CA ASN A 43 11.017 7.122 2.120 1.00 0.00 C ATOM 698 C ASN A 43 10.881 5.647 1.733 1.00 0.00 C ATOM 699 O ASN A 43 11.405 5.249 0.685 1.00 0.00 O ATOM 700 CB ASN A 43 11.252 7.391 3.600 1.00 0.00 C ATOM 701 CG ASN A 43 12.110 8.644 3.826 1.00 0.00 C ATOM 702 OD1 ASN A 43 11.788 9.679 3.181 1.00 0.00 O ATOM 703 ND2 ASN A 43 13.383 8.422 4.159 1.00 0.00 N ATOM 0 H ASN A 43 9.052 7.886 2.384 1.00 0.00 H new ATOM 0 HA ASN A 43 11.914 7.486 1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.293 7.512 4.103 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.743 6.529 4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.104 9.092 3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.635 7.582 4.681 1.00 0.00 H new ATOM 710 N CYS A 44 10.515 4.854 2.715 1.00 0.00 N ATOM 711 CA CYS A 44 10.235 3.447 2.588 1.00 0.00 C ATOM 712 C CYS A 44 9.960 2.876 3.992 1.00 0.00 C ATOM 713 O CYS A 44 10.884 2.615 4.750 1.00 0.00 O ATOM 714 CB CYS A 44 11.275 2.685 1.817 1.00 0.00 C ATOM 715 SG CYS A 44 10.719 1.929 0.256 1.00 0.00 S ATOM 0 H CYS A 44 10.400 5.193 3.670 1.00 0.00 H new ATOM 0 HA CYS A 44 9.342 3.322 1.975 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.102 3.360 1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 44 11.669 1.897 2.459 1.00 0.00 H new ATOM 720 N PRO A 45 8.697 2.565 4.272 1.00 0.00 N ATOM 721 CA PRO A 45 8.190 2.389 5.606 1.00 0.00 C ATOM 722 C PRO A 45 9.019 1.568 6.572 1.00 0.00 C ATOM 723 O PRO A 45 10.055 1.017 6.296 1.00 0.00 O ATOM 724 CB PRO A 45 6.793 1.808 5.406 1.00 0.00 C ATOM 725 CG PRO A 45 6.326 2.483 4.098 1.00 0.00 C ATOM 726 CD PRO A 45 7.538 3.052 3.416 1.00 0.00 C ATOM 0 HA PRO A 45 8.209 3.353 6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.816 0.722 5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.133 2.044 6.241 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.828 1.760 3.452 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.603 3.270 4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.623 2.697 2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.500 4.141 3.375 1.00 0.00 H new ATOM 734 N LYS A 46 8.571 1.728 7.837 1.00 0.00 N ATOM 735 CA LYS A 46 9.127 1.012 8.947 1.00 0.00 C ATOM 736 C LYS A 46 8.246 -0.168 9.331 1.00 0.00 C ATOM 737 O LYS A 46 7.210 0.014 9.977 1.00 0.00 O ATOM 738 CB LYS A 46 9.230 1.921 10.171 1.00 0.00 C ATOM 739 CG LYS A 46 9.830 1.343 11.424 1.00 0.00 C ATOM 740 CD LYS A 46 8.883 0.962 12.548 1.00 0.00 C ATOM 741 CE LYS A 46 9.549 0.049 13.543 1.00 0.00 C ATOM 742 NZ LYS A 46 8.673 -0.971 14.040 1.00 0.00 N ATOM 0 H LYS A 46 7.814 2.363 8.090 1.00 0.00 H new ATOM 0 HA LYS A 46 10.113 0.662 8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.817 2.795 9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.227 2.274 10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.396 0.454 11.146 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.545 2.065 11.818 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.536 1.863 13.054 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.003 0.470 12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.415 -0.420 13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.920 0.641 14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.097 -1.414 14.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.758 -0.548 14.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.527 -1.692 13.305 1.00 0.00 H new ATOM 756 N ASN A 47 8.363 -1.227 8.503 1.00 0.00 N ATOM 757 CA ASN A 47 7.518 -2.403 8.774 1.00 0.00 C ATOM 758 C ASN A 47 7.449 -2.552 10.309 1.00 0.00 C ATOM 759 O ASN A 47 8.511 -2.611 10.971 1.00 0.00 O ATOM 760 CB ASN A 47 8.088 -3.633 8.120 1.00 0.00 C ATOM 761 CG ASN A 47 9.040 -3.358 6.934 1.00 0.00 C ATOM 762 OD1 ASN A 47 8.582 -2.638 6.000 1.00 0.00 O ATOM 763 ND2 ASN A 47 9.745 -4.479 6.600 1.00 0.00 N ATOM 0 H ASN A 47 8.987 -1.294 7.699 1.00 0.00 H new ATOM 0 HA ASN A 47 6.518 -2.276 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.626 -4.210 8.872 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.264 -4.255 7.769 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.890 -4.717 5.619 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.126 -5.079 7.332 1.00 0.00 H new ATOM 770 N SER A 48 6.427 -3.337 10.761 1.00 0.00 N ATOM 771 CA SER A 48 6.034 -3.233 12.152 1.00 0.00 C ATOM 772 C SER A 48 6.375 -4.424 13.011 1.00 0.00 C ATOM 773 O SER A 48 6.920 -5.448 12.653 1.00 0.00 O ATOM 774 CB SER A 48 4.546 -2.883 12.229 1.00 0.00 C ATOM 775 OG SER A 48 3.845 -3.670 13.147 1.00 0.00 O ATOM 0 H SER A 48 5.901 -4.006 10.199 1.00 0.00 H new ATOM 0 HA SER A 48 6.635 -2.432 12.582 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.439 -1.833 12.503 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.099 -3.002 11.242 1.00 0.00 H new ATOM 0 HG SER A 48 2.902 -3.402 13.155 1.00 0.00 H new ATOM 781 N ALA A 49 5.740 -4.397 14.211 1.00 0.00 N ATOM 782 CA ALA A 49 5.752 -5.408 15.196 1.00 0.00 C ATOM 783 C ALA A 49 4.999 -6.709 14.795 1.00 0.00 C ATOM 784 O ALA A 49 4.646 -7.502 15.654 1.00 0.00 O ATOM 785 CB ALA A 49 5.025 -4.853 16.455 1.00 0.00 C ATOM 0 H ALA A 49 5.179 -3.594 14.495 1.00 0.00 H new ATOM 0 HA ALA A 49 6.799 -5.666 15.356 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.018 -5.613 17.236 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.547 -3.967 16.816 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.000 -4.589 16.196 1.00 0.00 H new ATOM 791 N LEU A 50 4.240 -6.487 13.691 1.00 0.00 N ATOM 792 CA LEU A 50 3.283 -7.473 13.225 1.00 0.00 C ATOM 793 C LEU A 50 2.894 -7.205 11.777 1.00 0.00 C ATOM 794 O LEU A 50 1.761 -7.557 11.358 1.00 0.00 O ATOM 795 CB LEU A 50 2.097 -7.408 14.188 1.00 0.00 C ATOM 796 CG LEU A 50 2.072 -8.367 15.363 1.00 0.00 C ATOM 797 CD1 LEU A 50 0.611 -8.559 15.801 1.00 0.00 C ATOM 798 CD2 LEU A 50 2.714 -9.677 14.980 1.00 0.00 C ATOM 0 H LEU A 50 4.285 -5.639 13.126 1.00 0.00 H new ATOM 0 HA LEU A 50 3.700 -8.480 13.225 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.046 -6.394 14.585 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.188 -7.569 13.608 1.00 0.00 H new ATOM 0 HG LEU A 50 2.643 -7.961 16.198 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.572 -9.246 16.646 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.190 -7.598 16.095 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.034 -8.969 14.972 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.690 -10.357 15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.168 -10.120 14.147 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.749 -9.502 14.684 1.00 0.00 H new ATOM 810 N LEU A 51 3.710 -6.507 11.006 1.00 0.00 N ATOM 811 CA LEU A 51 3.296 -6.191 9.651 1.00 0.00 C ATOM 812 C LEU A 51 4.440 -6.487 8.664 1.00 0.00 C ATOM 813 O LEU A 51 5.602 -6.496 9.040 1.00 0.00 O ATOM 814 CB LEU A 51 3.039 -4.625 9.651 1.00 0.00 C ATOM 815 CG LEU A 51 1.991 -4.184 8.655 1.00 0.00 C ATOM 816 CD1 LEU A 51 0.656 -4.023 9.394 1.00 0.00 C ATOM 817 CD2 LEU A 51 2.356 -2.888 7.950 1.00 0.00 C ATOM 0 H LEU A 51 4.629 -6.160 11.281 1.00 0.00 H new ATOM 0 HA LEU A 51 2.423 -6.773 9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.732 -4.316 10.650 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.975 -4.112 9.432 1.00 0.00 H new ATOM 0 HG LEU A 51 1.918 -4.947 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.113 -3.705 8.690 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.369 -4.976 9.839 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.762 -3.274 10.179 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.567 -2.621 7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.470 -2.093 8.687 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.294 -3.019 7.410 1.00 0.00 H new ATOM 829 N LYS A 52 4.120 -5.935 7.447 1.00 0.00 N ATOM 830 CA LYS A 52 5.088 -5.843 6.385 1.00 0.00 C ATOM 831 C LYS A 52 4.743 -4.625 5.494 1.00 0.00 C ATOM 832 O LYS A 52 3.702 -4.732 4.793 1.00 0.00 O ATOM 833 CB LYS A 52 5.095 -7.094 5.516 1.00 0.00 C ATOM 834 CG LYS A 52 5.852 -6.934 4.207 1.00 0.00 C ATOM 835 CD LYS A 52 5.898 -8.259 3.425 1.00 0.00 C ATOM 836 CE LYS A 52 7.215 -8.927 3.529 1.00 0.00 C ATOM 837 NZ LYS A 52 7.431 -9.451 4.887 1.00 0.00 N ATOM 0 H LYS A 52 3.200 -5.561 7.214 1.00 0.00 H new ATOM 0 HA LYS A 52 6.074 -5.734 6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.537 -7.914 6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.066 -7.377 5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.374 -6.166 3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 52 6.867 -6.593 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.123 -8.927 3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.672 -8.067 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.272 -9.742 2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.006 -8.221 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.313 -10.002 4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.500 -8.659 5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.633 -10.063 5.154 1.00 0.00 H new ATOM 851 N TYR A 53 5.779 -3.930 5.033 1.00 0.00 N ATOM 852 CA TYR A 53 5.613 -2.899 4.026 1.00 0.00 C ATOM 853 C TYR A 53 6.582 -3.102 2.861 1.00 0.00 C ATOM 854 O TYR A 53 7.740 -3.431 3.062 1.00 0.00 O ATOM 855 CB TYR A 53 6.007 -1.503 4.687 1.00 0.00 C ATOM 856 CG TYR A 53 4.826 -0.778 5.262 1.00 0.00 C ATOM 857 CD1 TYR A 53 4.343 -1.093 6.557 1.00 0.00 C ATOM 858 CD2 TYR A 53 4.108 0.184 4.540 1.00 0.00 C ATOM 859 CE1 TYR A 53 3.882 0.015 7.323 1.00 0.00 C ATOM 860 CE2 TYR A 53 3.221 1.026 5.228 1.00 0.00 C ATOM 861 CZ TYR A 53 3.178 0.993 6.624 1.00 0.00 C ATOM 862 OH TYR A 53 2.729 2.074 7.353 1.00 0.00 O ATOM 0 H TYR A 53 6.741 -4.066 5.344 1.00 0.00 H new ATOM 0 HA TYR A 53 4.584 -2.932 3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.741 -1.673 5.474 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.484 -0.873 3.937 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.326 -2.104 6.936 1.00 0.00 H new ATOM 0 HD2 TYR A 53 4.235 0.276 3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.067 0.093 8.384 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.575 1.696 4.681 1.00 0.00 H new ATOM 0 HH TYR A 53 2.252 2.693 6.761 1.00 0.00 H new ATOM 872 N VAL A 54 6.137 -2.636 1.693 1.00 0.00 N ATOM 873 CA VAL A 54 6.966 -2.622 0.495 1.00 0.00 C ATOM 874 C VAL A 54 6.619 -1.407 -0.366 1.00 0.00 C ATOM 875 O VAL A 54 5.506 -0.878 -0.313 1.00 0.00 O ATOM 876 CB VAL A 54 6.997 -3.943 -0.212 1.00 0.00 C ATOM 877 CG1 VAL A 54 6.298 -5.080 0.520 1.00 0.00 C ATOM 878 CG2 VAL A 54 6.486 -3.879 -1.656 1.00 0.00 C ATOM 0 H VAL A 54 5.198 -2.261 1.555 1.00 0.00 H new ATOM 0 HA VAL A 54 8.010 -2.492 0.781 1.00 0.00 H new ATOM 0 HB VAL A 54 8.062 -4.174 -0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.374 -5.994 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.771 -5.234 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.247 -4.828 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.538 -4.871 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.453 -3.532 -1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.104 -3.189 -2.230 1.00 0.00 H new ATOM 888 N CYS A 55 7.607 -0.864 -1.086 1.00 0.00 N ATOM 889 CA CYS A 55 7.398 0.413 -1.762 1.00 0.00 C ATOM 890 C CYS A 55 8.137 0.520 -3.082 1.00 0.00 C ATOM 891 O CYS A 55 9.201 -0.116 -3.259 1.00 0.00 O ATOM 892 CB CYS A 55 7.790 1.545 -0.796 1.00 0.00 C ATOM 893 SG CYS A 55 8.922 1.026 0.519 1.00 0.00 S ATOM 0 H CYS A 55 8.531 -1.277 -1.212 1.00 0.00 H new ATOM 0 HA CYS A 55 6.343 0.495 -2.025 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.254 2.351 -1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.886 1.953 -0.344 1.00 0.00 H new ATOM 898 N CYS A 56 7.351 0.785 -4.149 1.00 0.00 N ATOM 899 CA CYS A 56 7.847 0.861 -5.481 1.00 0.00 C ATOM 900 C CYS A 56 8.194 2.294 -5.897 1.00 0.00 C ATOM 901 O CYS A 56 7.948 3.260 -5.201 1.00 0.00 O ATOM 902 CB CYS A 56 6.830 0.255 -6.466 1.00 0.00 C ATOM 903 SG CYS A 56 7.576 -0.740 -7.816 1.00 0.00 S ATOM 0 H CYS A 56 6.347 0.949 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 56 8.771 0.284 -5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 56 6.135 -0.374 -5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.246 1.062 -6.907 1.00 0.00 H new ATOM 908 N SER A 57 8.363 2.413 -7.242 1.00 0.00 N ATOM 909 CA SER A 57 8.764 3.652 -7.846 1.00 0.00 C ATOM 910 C SER A 57 7.735 4.138 -8.864 1.00 0.00 C ATOM 911 O SER A 57 7.623 5.326 -9.151 1.00 0.00 O ATOM 912 CB SER A 57 10.125 3.569 -8.506 1.00 0.00 C ATOM 913 OG SER A 57 10.978 4.633 -8.120 1.00 0.00 O ATOM 0 H SER A 57 8.221 1.649 -7.903 1.00 0.00 H new ATOM 0 HA SER A 57 8.830 4.371 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.594 2.619 -8.248 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.002 3.580 -9.589 1.00 0.00 H new ATOM 0 HG SER A 57 11.844 4.537 -8.569 1.00 0.00 H new ATOM 919 N THR A 58 7.098 3.179 -9.533 1.00 0.00 N ATOM 920 CA THR A 58 6.299 3.498 -10.708 1.00 0.00 C ATOM 921 C THR A 58 4.831 3.497 -10.308 1.00 0.00 C ATOM 922 O THR A 58 4.409 3.319 -9.189 1.00 0.00 O ATOM 923 CB THR A 58 6.566 2.519 -11.880 1.00 0.00 C ATOM 924 OG1 THR A 58 5.316 1.814 -12.180 1.00 0.00 O ATOM 925 CG2 THR A 58 7.701 1.513 -11.589 1.00 0.00 C ATOM 0 H THR A 58 7.120 2.190 -9.285 1.00 0.00 H new ATOM 0 HA THR A 58 6.582 4.486 -11.072 1.00 0.00 H new ATOM 0 HB THR A 58 6.902 3.100 -12.739 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.462 1.190 -12.921 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.836 0.858 -12.450 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.627 2.055 -11.397 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.442 0.915 -10.715 1.00 0.00 H new ATOM 933 N ASP A 59 4.016 3.754 -11.368 1.00 0.00 N ATOM 934 CA ASP A 59 2.650 4.020 -11.105 1.00 0.00 C ATOM 935 C ASP A 59 1.881 2.780 -10.691 1.00 0.00 C ATOM 936 O ASP A 59 2.140 1.682 -11.161 1.00 0.00 O ATOM 937 CB ASP A 59 1.949 4.889 -12.126 1.00 0.00 C ATOM 938 CG ASP A 59 2.833 5.641 -13.095 1.00 0.00 C ATOM 939 OD1 ASP A 59 3.448 4.900 -13.940 1.00 0.00 O ATOM 940 OD2 ASP A 59 2.422 6.765 -13.544 1.00 0.00 O ATOM 0 H ASP A 59 4.298 3.774 -12.348 1.00 0.00 H new ATOM 0 HA ASP A 59 2.659 4.665 -10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.271 4.259 -12.702 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.335 5.614 -11.592 1.00 0.00 H new ATOM 945 N LYS A 60 1.201 2.924 -9.529 1.00 0.00 N ATOM 946 CA LYS A 60 0.332 1.801 -9.106 1.00 0.00 C ATOM 947 C LYS A 60 1.224 0.557 -8.943 1.00 0.00 C ATOM 948 O LYS A 60 0.766 -0.548 -8.775 1.00 0.00 O ATOM 949 CB LYS A 60 -0.671 1.554 -10.239 1.00 0.00 C ATOM 950 CG LYS A 60 -0.336 0.364 -11.143 1.00 0.00 C ATOM 951 CD LYS A 60 -0.920 0.491 -12.539 1.00 0.00 C ATOM 952 CE LYS A 60 -2.377 0.627 -12.606 1.00 0.00 C ATOM 953 NZ LYS A 60 -3.099 -0.599 -12.263 1.00 0.00 N ATOM 0 H LYS A 60 1.228 3.736 -8.912 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.188 2.016 -8.172 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.658 1.396 -9.804 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.734 2.453 -10.853 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.747 0.265 -11.217 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.709 -0.551 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.470 1.357 -13.024 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.628 -0.386 -13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.690 1.423 -11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.658 0.934 -13.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.123 -0.430 -12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.829 -1.357 -12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.859 -0.883 -11.292 1.00 0.00 H new ATOM 967 N CYS A 61 2.505 0.886 -8.673 1.00 0.00 N ATOM 968 CA CYS A 61 3.577 -0.090 -8.568 1.00 0.00 C ATOM 969 C CYS A 61 3.513 -0.836 -7.265 1.00 0.00 C ATOM 970 O CYS A 61 4.025 -1.974 -7.155 1.00 0.00 O ATOM 971 CB CYS A 61 4.920 0.528 -8.885 1.00 0.00 C ATOM 972 SG CYS A 61 6.259 -0.605 -9.402 1.00 0.00 S ATOM 0 H CYS A 61 2.812 1.847 -8.523 1.00 0.00 H new ATOM 0 HA CYS A 61 3.436 -0.853 -9.333 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.775 1.264 -9.676 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.259 1.071 -8.003 1.00 0.00 H new ATOM 977 N ASN A 62 3.034 -0.214 -6.189 1.00 0.00 N ATOM 978 CA ASN A 62 2.997 -0.833 -4.876 1.00 0.00 C ATOM 979 C ASN A 62 2.292 -2.204 -4.993 1.00 0.00 C ATOM 980 O ASN A 62 1.419 -2.354 -5.871 1.00 0.00 O ATOM 981 CB ASN A 62 2.333 0.065 -3.832 1.00 0.00 C ATOM 982 CG ASN A 62 1.373 1.098 -4.343 1.00 0.00 C ATOM 983 OD1 ASN A 62 0.670 0.789 -5.398 1.00 0.00 O ATOM 984 ND2 ASN A 62 0.655 1.766 -3.390 1.00 0.00 N ATOM 0 H ASN A 62 2.661 0.735 -6.209 1.00 0.00 H new ATOM 0 HA ASN A 62 4.018 -0.983 -4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.802 -0.572 -3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.118 0.576 -3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.331 1.974 -3.547 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.106 2.057 -2.522 1.00 0.00 H new TER 991 ASN A 62