USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 274 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -167:sc= -0.161 (180deg=-0.768!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.6) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.217 K(o=-0.22,f=-2.6!) USER MOD Single : A 15 GLN : amide:sc= -1.28 K(o=-1.3,f=-6.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -156:sc= -1.92 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 145:sc= -0.112 (180deg=-1.77!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.086 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0568) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.108 K(o=-0.11,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.040 1.336 -1.947 1.00 0.00 N ATOM 2 CA GLU A 1 2.292 0.111 -1.197 1.00 0.00 C ATOM 3 C GLU A 1 1.888 -1.116 -2.009 1.00 0.00 C ATOM 4 O GLU A 1 1.086 -1.935 -1.560 1.00 0.00 O ATOM 5 CB GLU A 1 1.531 0.132 0.129 1.00 0.00 C ATOM 6 CG GLU A 1 2.049 1.168 1.112 1.00 0.00 C ATOM 7 CD GLU A 1 1.657 2.583 0.731 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.516 2.985 1.041 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.489 3.286 0.121 1.00 0.00 O ATOM 0 H1 GLU A 1 2.517 2.133 -1.480 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.407 1.232 -2.915 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.017 1.517 -1.982 1.00 0.00 H new ATOM 0 HA GLU A 1 3.361 0.054 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.477 0.327 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.591 -0.855 0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.664 0.944 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.135 1.099 1.168 1.00 0.00 H new ATOM 16 N CYS A 2 2.448 -1.237 -3.208 1.00 0.00 N ATOM 17 CA CYS A 2 2.147 -2.362 -4.084 1.00 0.00 C ATOM 18 C CYS A 2 2.893 -3.615 -3.636 1.00 0.00 C ATOM 19 O CYS A 2 4.100 -3.579 -3.391 1.00 0.00 O ATOM 20 CB CYS A 2 2.518 -2.023 -5.529 1.00 0.00 C ATOM 21 SG CYS A 2 2.182 -0.295 -5.998 1.00 0.00 S ATOM 0 H CYS A 2 3.114 -0.568 -3.595 1.00 0.00 H new ATOM 0 HA CYS A 2 1.076 -2.559 -4.027 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.578 -2.229 -5.679 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.967 -2.684 -6.199 1.00 0.00 H new ATOM 26 N LEU A 3 2.167 -4.723 -3.532 1.00 0.00 N ATOM 27 CA LEU A 3 2.759 -5.989 -3.114 1.00 0.00 C ATOM 28 C LEU A 3 2.812 -6.976 -4.276 1.00 0.00 C ATOM 29 O LEU A 3 1.884 -7.758 -4.480 1.00 0.00 O ATOM 30 CB LEU A 3 1.961 -6.590 -1.955 1.00 0.00 C ATOM 31 CG LEU A 3 1.066 -5.621 -1.182 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.137 -6.350 -0.604 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.855 -4.931 -0.079 1.00 0.00 C ATOM 0 H LEU A 3 1.168 -4.770 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 3 3.778 -5.793 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.338 -7.394 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.662 -7.043 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 3 0.705 -4.860 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.762 -5.644 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.715 -6.796 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.203 -7.133 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.202 -4.245 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.246 -5.679 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.683 -4.374 -0.518 1.00 0.00 H new ATOM 45 N GLU A 4 3.905 -6.934 -5.032 1.00 0.00 N ATOM 46 CA GLU A 4 4.078 -7.826 -6.172 1.00 0.00 C ATOM 47 C GLU A 4 4.837 -9.086 -5.767 1.00 0.00 C ATOM 48 O GLU A 4 4.791 -10.101 -6.462 1.00 0.00 O ATOM 49 CB GLU A 4 4.823 -7.109 -7.300 1.00 0.00 C ATOM 50 CG GLU A 4 6.304 -6.911 -7.022 1.00 0.00 C ATOM 51 CD GLU A 4 6.864 -5.674 -7.695 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.208 -5.155 -8.623 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.959 -5.224 -7.296 1.00 0.00 O ATOM 0 H GLU A 4 4.683 -6.293 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 4 3.089 -8.117 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.708 -7.681 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.360 -6.137 -7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.461 -6.837 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.854 -7.787 -7.365 1.00 0.00 H new ATOM 60 N ILE A 5 5.536 -9.012 -4.639 1.00 0.00 N ATOM 61 CA ILE A 5 6.304 -10.146 -4.141 1.00 0.00 C ATOM 62 C ILE A 5 5.393 -11.190 -3.505 1.00 0.00 C ATOM 63 O ILE A 5 5.788 -12.341 -3.316 1.00 0.00 O ATOM 64 CB ILE A 5 7.357 -9.702 -3.108 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.146 -10.911 -2.600 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.689 -8.974 -1.951 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.744 -11.750 -3.707 1.00 0.00 C ATOM 0 H ILE A 5 5.586 -8.179 -4.053 1.00 0.00 H new ATOM 0 HA ILE A 5 6.812 -10.585 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 5 8.052 -9.015 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.946 -10.564 -1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.488 -11.536 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.446 -8.666 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.168 -8.094 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.975 -9.639 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.289 -12.589 -3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.948 -12.127 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.427 -11.140 -4.297 1.00 0.00 H new ATOM 79 N PHE A 6 4.171 -10.782 -3.180 1.00 0.00 N ATOM 80 CA PHE A 6 3.202 -11.683 -2.566 1.00 0.00 C ATOM 81 C PHE A 6 3.001 -11.343 -1.092 1.00 0.00 C ATOM 82 O PHE A 6 2.707 -12.216 -0.275 1.00 0.00 O ATOM 83 CB PHE A 6 3.664 -13.135 -2.707 1.00 0.00 C ATOM 84 CG PHE A 6 4.470 -13.624 -1.537 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.348 -12.777 -0.882 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.349 -14.931 -1.094 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.092 -13.224 0.194 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.089 -15.384 -0.018 1.00 0.00 C ATOM 89 CZ PHE A 6 5.961 -14.529 0.627 1.00 0.00 C ATOM 0 H PHE A 6 3.828 -9.833 -3.331 1.00 0.00 H new ATOM 0 HA PHE A 6 2.250 -11.559 -3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.791 -13.776 -2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.260 -13.232 -3.614 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.453 -11.755 -1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.669 -15.604 -1.595 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.775 -12.554 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.985 -16.405 0.318 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.540 -14.880 1.469 1.00 0.00 H new ATOM 99 N LYS A 7 3.160 -10.066 -0.759 1.00 0.00 N ATOM 100 CA LYS A 7 2.995 -9.607 0.615 1.00 0.00 C ATOM 101 C LYS A 7 1.520 -9.560 1.000 1.00 0.00 C ATOM 102 O LYS A 7 0.666 -9.226 0.180 1.00 0.00 O ATOM 103 CB LYS A 7 3.623 -8.223 0.791 1.00 0.00 C ATOM 104 CG LYS A 7 4.346 -8.047 2.115 1.00 0.00 C ATOM 105 CD LYS A 7 5.772 -8.567 2.046 1.00 0.00 C ATOM 106 CE LYS A 7 6.540 -8.261 3.323 1.00 0.00 C ATOM 107 NZ LYS A 7 6.306 -9.293 4.371 1.00 0.00 N ATOM 0 H LYS A 7 3.403 -9.331 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 7 3.501 -10.315 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.326 -8.046 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.843 -7.466 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.356 -6.992 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.803 -8.574 2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.760 -9.644 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.284 -8.116 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.606 -8.204 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.240 -7.284 3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.846 -9.049 5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.292 -9.330 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.616 -10.221 4.019 1.00 0.00 H new ATOM 121 N ALA A 8 1.229 -9.897 2.252 1.00 0.00 N ATOM 122 CA ALA A 8 -0.143 -9.889 2.746 1.00 0.00 C ATOM 123 C ALA A 8 -0.854 -8.594 2.371 1.00 0.00 C ATOM 124 O ALA A 8 -0.488 -7.515 2.838 1.00 0.00 O ATOM 125 CB ALA A 8 -0.161 -10.086 4.254 1.00 0.00 C ATOM 0 H ALA A 8 1.925 -10.179 2.943 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.677 -10.715 2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.191 -10.078 4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.301 -11.042 4.502 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.394 -9.280 4.733 1.00 0.00 H new ATOM 131 N CYS A 9 -1.872 -8.707 1.524 1.00 0.00 N ATOM 132 CA CYS A 9 -2.635 -7.545 1.085 1.00 0.00 C ATOM 133 C CYS A 9 -3.792 -7.262 2.038 1.00 0.00 C ATOM 134 O CYS A 9 -4.381 -8.180 2.606 1.00 0.00 O ATOM 135 CB CYS A 9 -3.169 -7.765 -0.332 1.00 0.00 C ATOM 136 SG CYS A 9 -4.979 -7.941 -0.425 1.00 0.00 S ATOM 0 H CYS A 9 -2.188 -9.592 1.128 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.968 -6.683 1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.864 -6.927 -0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.706 -8.659 -0.749 1.00 0.00 H new ATOM 141 N ASN A 10 -4.112 -5.983 2.208 1.00 0.00 N ATOM 142 CA ASN A 10 -5.199 -5.578 3.092 1.00 0.00 C ATOM 143 C ASN A 10 -6.530 -5.564 2.347 1.00 0.00 C ATOM 144 O ASN A 10 -6.592 -5.327 1.141 1.00 0.00 O ATOM 145 CB ASN A 10 -4.916 -4.194 3.681 1.00 0.00 C ATOM 146 CG ASN A 10 -4.230 -4.270 5.031 1.00 0.00 C ATOM 147 OD1 ASN A 10 -4.532 -5.142 5.846 1.00 0.00 O ATOM 148 ND2 ASN A 10 -3.301 -3.353 5.275 1.00 0.00 N ATOM 0 H ASN A 10 -3.634 -5.210 1.745 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.265 -6.304 3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.291 -3.629 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.853 -3.647 3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.806 -3.353 6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.082 -2.648 4.571 1.00 0.00 H new ATOM 155 N PRO A 11 -7.622 -5.823 3.082 1.00 0.00 N ATOM 156 CA PRO A 11 -8.973 -5.844 2.512 1.00 0.00 C ATOM 157 C PRO A 11 -9.454 -4.455 2.108 1.00 0.00 C ATOM 158 O PRO A 11 -10.024 -4.273 1.032 1.00 0.00 O ATOM 159 CB PRO A 11 -9.830 -6.397 3.653 1.00 0.00 C ATOM 160 CG PRO A 11 -9.079 -6.052 4.893 1.00 0.00 C ATOM 161 CD PRO A 11 -7.623 -6.114 4.525 1.00 0.00 C ATOM 0 HA PRO A 11 -9.021 -6.437 1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.824 -5.949 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.966 -7.474 3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.350 -5.058 5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.309 -6.752 5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.036 -5.384 5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.196 -7.094 4.737 1.00 0.00 H new ATOM 169 N SER A 12 -9.221 -3.477 2.978 1.00 0.00 N ATOM 170 CA SER A 12 -9.634 -2.104 2.713 1.00 0.00 C ATOM 171 C SER A 12 -8.448 -1.258 2.260 1.00 0.00 C ATOM 172 O SER A 12 -8.523 -0.550 1.256 1.00 0.00 O ATOM 173 CB SER A 12 -10.266 -1.489 3.963 1.00 0.00 C ATOM 174 OG SER A 12 -11.305 -2.310 4.466 1.00 0.00 O ATOM 0 H SER A 12 -8.749 -3.610 3.872 1.00 0.00 H new ATOM 0 HA SER A 12 -10.373 -2.121 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.503 -1.352 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.661 -0.501 3.726 1.00 0.00 H new ATOM 0 HG SER A 12 -11.691 -1.896 5.266 1.00 0.00 H new ATOM 180 N ASN A 13 -7.352 -1.337 3.009 1.00 0.00 N ATOM 181 CA ASN A 13 -6.149 -0.578 2.685 1.00 0.00 C ATOM 182 C ASN A 13 -5.561 -1.032 1.353 1.00 0.00 C ATOM 183 O ASN A 13 -4.771 -1.974 1.300 1.00 0.00 O ATOM 184 CB ASN A 13 -5.108 -0.736 3.795 1.00 0.00 C ATOM 185 CG ASN A 13 -5.199 0.364 4.834 1.00 0.00 C ATOM 186 OD1 ASN A 13 -5.884 1.367 4.634 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.505 0.182 5.952 1.00 0.00 N ATOM 0 H ASN A 13 -7.272 -1.918 3.843 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.424 0.473 2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.243 -1.703 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.110 -0.736 3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.527 0.889 6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.950 -0.665 6.076 1.00 0.00 H new ATOM 194 N ASP A 14 -5.953 -0.356 0.279 1.00 0.00 N ATOM 195 CA ASP A 14 -5.464 -0.688 -1.054 1.00 0.00 C ATOM 196 C ASP A 14 -3.939 -0.695 -1.088 1.00 0.00 C ATOM 197 O ASP A 14 -3.302 0.352 -0.974 1.00 0.00 O ATOM 198 CB ASP A 14 -6.004 0.308 -2.082 1.00 0.00 C ATOM 199 CG ASP A 14 -5.841 -0.184 -3.507 1.00 0.00 C ATOM 200 OD1 ASP A 14 -6.605 -1.082 -3.915 1.00 0.00 O ATOM 201 OD2 ASP A 14 -4.947 0.329 -4.213 1.00 0.00 O ATOM 0 H ASP A 14 -6.608 0.425 0.305 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.820 -1.687 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.060 0.494 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.486 1.260 -1.968 1.00 0.00 H new ATOM 206 N GLN A 15 -3.361 -1.881 -1.243 1.00 0.00 N ATOM 207 CA GLN A 15 -1.910 -2.024 -1.289 1.00 0.00 C ATOM 208 C GLN A 15 -1.430 -2.243 -2.720 1.00 0.00 C ATOM 209 O GLN A 15 -0.742 -1.397 -3.292 1.00 0.00 O ATOM 210 CB GLN A 15 -1.463 -3.188 -0.404 1.00 0.00 C ATOM 211 CG GLN A 15 -1.834 -3.017 1.060 1.00 0.00 C ATOM 212 CD GLN A 15 -0.820 -3.645 1.996 1.00 0.00 C ATOM 213 OE1 GLN A 15 -0.787 -4.864 2.166 1.00 0.00 O ATOM 214 NE2 GLN A 15 0.015 -2.814 2.609 1.00 0.00 N ATOM 0 H GLN A 15 -3.874 -2.757 -1.339 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.467 -1.101 -0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -1.909 -4.110 -0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.382 -3.301 -0.485 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.923 -1.955 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.812 -3.464 1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.048 -1.810 2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.719 -3.179 3.250 1.00 0.00 H new ATOM 223 N CYS A 16 -1.797 -3.384 -3.294 1.00 0.00 N ATOM 224 CA CYS A 16 -1.404 -3.716 -4.658 1.00 0.00 C ATOM 225 C CYS A 16 -1.496 -2.492 -5.564 1.00 0.00 C ATOM 226 O CYS A 16 -2.321 -1.604 -5.344 1.00 0.00 O ATOM 227 CB CYS A 16 -2.286 -4.839 -5.206 1.00 0.00 C ATOM 228 SG CYS A 16 -2.743 -6.097 -3.971 1.00 0.00 S ATOM 0 H CYS A 16 -2.367 -4.095 -2.835 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.368 -4.054 -4.639 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.196 -4.403 -5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.765 -5.327 -6.030 1.00 0.00 H new ATOM 233 N CYS A 17 -0.646 -2.452 -6.584 1.00 0.00 N ATOM 234 CA CYS A 17 -0.630 -1.338 -7.524 1.00 0.00 C ATOM 235 C CYS A 17 -1.889 -1.336 -8.386 1.00 0.00 C ATOM 236 O CYS A 17 -2.807 -2.127 -8.166 1.00 0.00 O ATOM 237 CB CYS A 17 0.611 -1.413 -8.415 1.00 0.00 C ATOM 238 SG CYS A 17 1.914 -0.217 -7.977 1.00 0.00 S ATOM 0 H CYS A 17 0.042 -3.179 -6.781 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.602 -0.412 -6.950 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.024 -2.420 -8.361 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.313 -1.246 -9.450 1.00 0.00 H new ATOM 243 N LYS A 18 -1.925 -0.443 -9.369 1.00 0.00 N ATOM 244 CA LYS A 18 -3.070 -0.338 -10.266 1.00 0.00 C ATOM 245 C LYS A 18 -2.816 -1.100 -11.563 1.00 0.00 C ATOM 246 O LYS A 18 -3.319 -2.207 -11.753 1.00 0.00 O ATOM 247 CB LYS A 18 -3.369 1.131 -10.575 1.00 0.00 C ATOM 248 CG LYS A 18 -4.202 1.819 -9.508 1.00 0.00 C ATOM 249 CD LYS A 18 -3.440 1.945 -8.200 1.00 0.00 C ATOM 250 CE LYS A 18 -4.212 2.770 -7.182 1.00 0.00 C ATOM 251 NZ LYS A 18 -3.388 3.083 -5.982 1.00 0.00 N ATOM 0 H LYS A 18 -1.174 0.219 -9.565 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.932 -0.781 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.428 1.668 -10.692 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.892 1.194 -11.529 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.495 2.810 -9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.120 1.255 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.246 0.952 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.471 2.408 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.546 3.698 -7.645 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.106 2.226 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.950 3.646 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.090 2.198 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.548 3.624 -6.269 1.00 0.00 H new ATOM 265 N SER A 19 -2.031 -0.500 -12.453 1.00 0.00 N ATOM 266 CA SER A 19 -1.712 -1.121 -13.733 1.00 0.00 C ATOM 267 C SER A 19 -1.026 -2.468 -13.527 1.00 0.00 C ATOM 268 O SER A 19 -1.049 -3.329 -14.407 1.00 0.00 O ATOM 269 CB SER A 19 -0.814 -0.200 -14.561 1.00 0.00 C ATOM 270 OG SER A 19 0.415 0.044 -13.899 1.00 0.00 O ATOM 0 H SER A 19 -1.604 0.416 -12.311 1.00 0.00 H new ATOM 0 HA SER A 19 -2.645 -1.286 -14.271 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.623 -0.652 -15.534 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.326 0.745 -14.743 1.00 0.00 H new ATOM 0 HG SER A 19 0.972 0.634 -14.449 1.00 0.00 H new ATOM 276 N SER A 20 -0.417 -2.643 -12.359 1.00 0.00 N ATOM 277 CA SER A 20 0.279 -3.883 -12.037 1.00 0.00 C ATOM 278 C SER A 20 -0.683 -5.067 -12.060 1.00 0.00 C ATOM 279 O SER A 20 -1.875 -4.920 -11.790 1.00 0.00 O ATOM 280 CB SER A 20 0.945 -3.778 -10.664 1.00 0.00 C ATOM 281 OG SER A 20 1.758 -2.621 -10.579 1.00 0.00 O ATOM 0 H SER A 20 -0.391 -1.941 -11.619 1.00 0.00 H new ATOM 0 HA SER A 20 1.047 -4.046 -12.793 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.181 -3.747 -9.887 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.550 -4.666 -10.481 1.00 0.00 H new ATOM 0 HG SER A 20 2.445 -2.754 -9.893 1.00 0.00 H new ATOM 287 N LYS A 21 -0.156 -6.243 -12.384 1.00 0.00 N ATOM 288 CA LYS A 21 -0.964 -7.455 -12.441 1.00 0.00 C ATOM 289 C LYS A 21 -1.073 -8.102 -11.064 1.00 0.00 C ATOM 290 O LYS A 21 -1.978 -8.898 -10.811 1.00 0.00 O ATOM 291 CB LYS A 21 -0.362 -8.448 -13.437 1.00 0.00 C ATOM 292 CG LYS A 21 -0.351 -7.942 -14.869 1.00 0.00 C ATOM 293 CD LYS A 21 -1.692 -8.160 -15.548 1.00 0.00 C ATOM 294 CE LYS A 21 -1.790 -7.382 -16.852 1.00 0.00 C ATOM 295 NZ LYS A 21 -1.149 -8.110 -17.982 1.00 0.00 N ATOM 0 H LYS A 21 0.829 -6.382 -12.611 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.965 -7.179 -12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.659 -8.679 -13.134 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.926 -9.380 -13.394 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.106 -6.880 -14.879 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.430 -8.455 -15.431 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.832 -9.223 -15.746 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.495 -7.852 -14.878 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.838 -7.198 -17.087 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.315 -6.409 -16.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.237 -7.547 -18.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.143 -8.264 -17.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.619 -9.028 -18.115 1.00 0.00 H new ATOM 309 N LEU A 22 -0.146 -7.755 -10.178 1.00 0.00 N ATOM 310 CA LEU A 22 -0.139 -8.302 -8.825 1.00 0.00 C ATOM 311 C LEU A 22 -1.557 -8.413 -8.275 1.00 0.00 C ATOM 312 O LEU A 22 -2.171 -7.412 -7.905 1.00 0.00 O ATOM 313 CB LEU A 22 0.710 -7.424 -7.904 1.00 0.00 C ATOM 314 CG LEU A 22 1.280 -6.149 -8.529 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.535 -5.099 -7.459 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.558 -6.456 -9.294 1.00 0.00 C ATOM 0 H LEU A 22 0.610 -7.098 -10.371 1.00 0.00 H new ATOM 0 HA LEU A 22 0.294 -9.301 -8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.104 -7.143 -7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.540 -8.023 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 22 0.547 -5.752 -9.231 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.940 -4.199 -7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.599 -4.858 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.249 -5.486 -6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.949 -5.538 -9.732 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.297 -6.877 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.344 -7.173 -10.086 1.00 0.00 H new ATOM 328 N VAL A 23 -2.072 -9.637 -8.221 1.00 0.00 N ATOM 329 CA VAL A 23 -3.416 -9.880 -7.713 1.00 0.00 C ATOM 330 C VAL A 23 -3.376 -10.409 -6.284 1.00 0.00 C ATOM 331 O VAL A 23 -2.457 -11.135 -5.904 1.00 0.00 O ATOM 332 CB VAL A 23 -4.179 -10.883 -8.599 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.447 -12.216 -8.648 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.602 -11.065 -8.094 1.00 0.00 C ATOM 0 H VAL A 23 -1.578 -10.476 -8.523 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.938 -8.923 -7.729 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.226 -10.484 -9.612 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.000 -12.912 -9.278 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.449 -12.068 -9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.367 -12.624 -7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.126 -11.777 -8.732 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.580 -11.442 -7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.121 -10.107 -8.116 1.00 0.00 H new ATOM 344 N CYS A 24 -4.380 -10.041 -5.494 1.00 0.00 N ATOM 345 CA CYS A 24 -4.461 -10.478 -4.106 1.00 0.00 C ATOM 346 C CYS A 24 -5.743 -11.267 -3.858 1.00 0.00 C ATOM 347 O CYS A 24 -5.782 -12.157 -3.009 1.00 0.00 O ATOM 348 CB CYS A 24 -4.400 -9.272 -3.165 1.00 0.00 C ATOM 349 SG CYS A 24 -5.410 -9.452 -1.660 1.00 0.00 S ATOM 0 H CYS A 24 -5.149 -9.441 -5.792 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.610 -11.129 -3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.363 -9.103 -2.876 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.729 -8.385 -3.707 1.00 0.00 H new ATOM 354 N SER A 25 -6.791 -10.933 -4.605 1.00 0.00 N ATOM 355 CA SER A 25 -8.076 -11.607 -4.464 1.00 0.00 C ATOM 356 C SER A 25 -8.021 -13.011 -5.058 1.00 0.00 C ATOM 357 O SER A 25 -8.276 -13.999 -4.369 1.00 0.00 O ATOM 358 CB SER A 25 -9.179 -10.795 -5.146 1.00 0.00 C ATOM 359 OG SER A 25 -10.463 -11.241 -4.745 1.00 0.00 O ATOM 0 H SER A 25 -6.775 -10.200 -5.314 1.00 0.00 H new ATOM 0 HA SER A 25 -8.300 -11.690 -3.401 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.064 -9.740 -4.899 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.082 -10.881 -6.228 1.00 0.00 H new ATOM 0 HG SER A 25 -11.150 -10.705 -5.193 1.00 0.00 H new ATOM 365 N ARG A 26 -7.686 -13.091 -6.342 1.00 0.00 N ATOM 366 CA ARG A 26 -7.599 -14.373 -7.030 1.00 0.00 C ATOM 367 C ARG A 26 -6.846 -15.394 -6.183 1.00 0.00 C ATOM 368 O ARG A 26 -7.351 -16.483 -5.909 1.00 0.00 O ATOM 369 CB ARG A 26 -6.903 -14.203 -8.382 1.00 0.00 C ATOM 370 CG ARG A 26 -7.769 -13.525 -9.432 1.00 0.00 C ATOM 371 CD ARG A 26 -7.035 -13.390 -10.757 1.00 0.00 C ATOM 372 NE ARG A 26 -7.666 -12.409 -11.635 1.00 0.00 N ATOM 373 CZ ARG A 26 -7.428 -12.329 -12.939 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.577 -13.168 -13.514 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.042 -11.409 -13.672 1.00 0.00 N ATOM 0 H ARG A 26 -7.471 -12.283 -6.926 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.612 -14.739 -7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.993 -13.620 -8.242 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.600 -15.183 -8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.683 -14.101 -9.578 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.067 -12.538 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.002 -13.098 -10.571 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.007 -14.359 -11.256 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.326 -11.749 -11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.103 -13.877 -12.954 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.396 -13.104 -14.516 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.698 -10.762 -13.234 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.858 -11.349 -14.673 1.00 0.00 H new ATOM 389 N LYS A 27 -5.634 -15.036 -5.772 1.00 0.00 N ATOM 390 CA LYS A 27 -4.810 -15.920 -4.956 1.00 0.00 C ATOM 391 C LYS A 27 -4.982 -15.608 -3.473 1.00 0.00 C ATOM 392 O LYS A 27 -5.874 -14.852 -3.085 1.00 0.00 O ATOM 393 CB LYS A 27 -3.337 -15.786 -5.349 1.00 0.00 C ATOM 394 CG LYS A 27 -3.112 -15.719 -6.850 1.00 0.00 C ATOM 395 CD LYS A 27 -1.644 -15.889 -7.201 1.00 0.00 C ATOM 396 CE LYS A 27 -1.142 -17.278 -6.841 1.00 0.00 C ATOM 397 NZ LYS A 27 0.015 -17.687 -7.685 1.00 0.00 N ATOM 0 H LYS A 27 -5.200 -14.139 -5.991 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.135 -16.945 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.927 -14.887 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.783 -16.633 -4.944 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.697 -16.496 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.470 -14.762 -7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.501 -15.715 -8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.054 -15.140 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.850 -17.298 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.951 -17.999 -6.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.673 -18.260 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.325 -18.248 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.506 -16.840 -8.035 1.00 0.00 H new ATOM 411 N THR A 28 -4.121 -16.192 -2.646 1.00 0.00 N ATOM 412 CA THR A 28 -4.177 -15.976 -1.205 1.00 0.00 C ATOM 413 C THR A 28 -4.214 -14.489 -0.874 1.00 0.00 C ATOM 414 O THR A 28 -4.048 -13.643 -1.753 1.00 0.00 O ATOM 415 CB THR A 28 -2.972 -16.620 -0.493 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.423 -17.663 -1.305 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.381 -17.184 0.859 1.00 0.00 C ATOM 0 H THR A 28 -3.376 -16.819 -2.949 1.00 0.00 H new ATOM 0 HA THR A 28 -5.093 -16.447 -0.850 1.00 0.00 H new ATOM 0 HB THR A 28 -2.217 -15.850 -0.334 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.657 -18.066 -0.846 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.514 -17.634 1.343 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.771 -16.381 1.485 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.152 -17.942 0.719 1.00 0.00 H new ATOM 425 N ARG A 29 -4.431 -14.176 0.400 1.00 0.00 N ATOM 426 CA ARG A 29 -4.490 -12.790 0.847 1.00 0.00 C ATOM 427 C ARG A 29 -3.284 -12.004 0.341 1.00 0.00 C ATOM 428 O ARG A 29 -3.331 -10.779 0.229 1.00 0.00 O ATOM 429 CB ARG A 29 -4.550 -12.727 2.374 1.00 0.00 C ATOM 430 CG ARG A 29 -5.632 -13.606 2.978 1.00 0.00 C ATOM 431 CD ARG A 29 -6.994 -13.308 2.373 1.00 0.00 C ATOM 432 NE ARG A 29 -8.084 -13.823 3.198 1.00 0.00 N ATOM 433 CZ ARG A 29 -9.332 -13.963 2.763 1.00 0.00 C ATOM 434 NH1 ARG A 29 -9.645 -13.628 1.519 1.00 0.00 N ATOM 435 NH2 ARG A 29 -10.268 -14.439 3.574 1.00 0.00 N ATOM 0 H ARG A 29 -4.569 -14.864 1.140 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.394 -12.340 0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.583 -13.025 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.720 -11.695 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.383 -14.655 2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.670 -13.450 4.056 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.109 -12.231 2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.053 -13.749 1.378 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.876 -14.090 4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.927 -13.262 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.604 -13.736 1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.030 -14.698 4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.226 -14.546 3.240 1.00 0.00 H new ATOM 449 N ALA A 30 -2.204 -12.717 0.038 1.00 0.00 N ATOM 450 CA ALA A 30 -0.987 -12.087 -0.457 1.00 0.00 C ATOM 451 C ALA A 30 -1.156 -11.624 -1.901 1.00 0.00 C ATOM 452 O ALA A 30 -1.804 -12.294 -2.706 1.00 0.00 O ATOM 453 CB ALA A 30 0.189 -13.046 -0.343 1.00 0.00 C ATOM 0 H ALA A 30 -2.148 -13.732 0.127 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.787 -11.209 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.091 -12.562 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.332 -13.324 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.013 -13.941 -0.932 1.00 0.00 H new ATOM 459 N CYS A 31 -0.569 -10.476 -2.222 1.00 0.00 N ATOM 460 CA CYS A 31 -0.656 -9.923 -3.568 1.00 0.00 C ATOM 461 C CYS A 31 0.617 -10.213 -4.358 1.00 0.00 C ATOM 462 O CYS A 31 1.706 -9.775 -3.985 1.00 0.00 O ATOM 463 CB CYS A 31 -0.899 -8.413 -3.507 1.00 0.00 C ATOM 464 SG CYS A 31 -2.058 -7.795 -4.769 1.00 0.00 S ATOM 0 H CYS A 31 -0.028 -9.910 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.495 -10.399 -4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.283 -8.157 -2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.055 -7.897 -3.621 1.00 0.00 H new ATOM 469 N LYS A 32 0.473 -10.953 -5.451 1.00 0.00 N ATOM 470 CA LYS A 32 1.609 -11.301 -6.296 1.00 0.00 C ATOM 471 C LYS A 32 1.201 -11.346 -7.765 1.00 0.00 C ATOM 472 O LYS A 32 0.054 -11.652 -8.092 1.00 0.00 O ATOM 473 CB LYS A 32 2.188 -12.654 -5.875 1.00 0.00 C ATOM 474 CG LYS A 32 1.370 -13.841 -6.354 1.00 0.00 C ATOM 475 CD LYS A 32 1.331 -14.947 -5.313 1.00 0.00 C ATOM 476 CE LYS A 32 2.331 -16.048 -5.631 1.00 0.00 C ATOM 477 NZ LYS A 32 3.726 -15.529 -5.692 1.00 0.00 N ATOM 0 H LYS A 32 -0.421 -11.324 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 32 2.371 -10.532 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.203 -12.742 -6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.259 -12.687 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.354 -13.517 -6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.795 -14.227 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.548 -14.530 -4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.327 -15.369 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.266 -16.828 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.073 -16.509 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.387 -16.323 -5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.819 -14.878 -6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.947 -15.023 -4.811 1.00 0.00 H new ATOM 491 N TYR A 33 2.147 -11.040 -8.646 1.00 0.00 N ATOM 492 CA TYR A 33 1.886 -11.045 -10.081 1.00 0.00 C ATOM 493 C TYR A 33 1.314 -12.387 -10.526 1.00 0.00 C ATOM 494 O TYR A 33 1.788 -13.444 -10.111 1.00 0.00 O ATOM 495 CB TYR A 33 3.170 -10.742 -10.855 1.00 0.00 C ATOM 496 CG TYR A 33 4.159 -11.885 -10.857 1.00 0.00 C ATOM 497 CD1 TYR A 33 5.001 -12.103 -9.773 1.00 0.00 C ATOM 498 CD2 TYR A 33 4.252 -12.748 -11.941 1.00 0.00 C ATOM 499 CE1 TYR A 33 5.908 -13.145 -9.770 1.00 0.00 C ATOM 500 CE2 TYR A 33 5.154 -13.795 -11.947 1.00 0.00 C ATOM 501 CZ TYR A 33 5.980 -13.989 -10.859 1.00 0.00 C ATOM 502 OH TYR A 33 6.881 -15.029 -10.860 1.00 0.00 O ATOM 0 H TYR A 33 3.101 -10.785 -8.392 1.00 0.00 H new ATOM 0 HA TYR A 33 1.150 -10.269 -10.294 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.913 -10.493 -11.885 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.646 -9.862 -10.423 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.945 -11.446 -8.918 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.608 -12.598 -12.795 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.557 -13.298 -8.920 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.212 -14.457 -12.798 1.00 0.00 H new ATOM 0 HH TYR A 33 6.803 -15.528 -11.700 1.00 0.00 H new ATOM 512 N GLN A 34 0.292 -12.336 -11.374 1.00 0.00 N ATOM 513 CA GLN A 34 -0.345 -13.547 -11.877 1.00 0.00 C ATOM 514 C GLN A 34 0.390 -14.081 -13.102 1.00 0.00 C ATOM 515 O GLN A 34 0.814 -15.237 -13.128 1.00 0.00 O ATOM 516 CB GLN A 34 -1.809 -13.272 -12.225 1.00 0.00 C ATOM 517 CG GLN A 34 -2.602 -14.526 -12.556 1.00 0.00 C ATOM 518 CD GLN A 34 -2.740 -15.459 -11.369 1.00 0.00 C ATOM 519 OE1 GLN A 34 -2.972 -15.019 -10.243 1.00 0.00 O ATOM 520 NE2 GLN A 34 -2.598 -16.756 -11.615 1.00 0.00 N ATOM 0 H GLN A 34 -0.113 -11.469 -11.727 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.301 -14.302 -11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.284 -12.763 -11.386 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.850 -12.591 -13.075 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.594 -14.242 -12.907 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.113 -15.055 -13.374 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.406 -17.077 -12.564 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.681 -17.431 -10.855 1.00 0.00 H new ATOM 529 N ILE A 35 0.537 -13.232 -14.114 1.00 0.00 N ATOM 530 CA ILE A 35 1.222 -13.619 -15.341 1.00 0.00 C ATOM 531 C ILE A 35 2.661 -13.116 -15.349 1.00 0.00 C ATOM 532 O ILE A 35 3.571 -13.812 -15.801 1.00 0.00 O ATOM 533 CB ILE A 35 0.494 -13.079 -16.586 1.00 0.00 C ATOM 534 CG1 ILE A 35 -0.955 -13.572 -16.610 1.00 0.00 C ATOM 535 CG2 ILE A 35 1.224 -13.502 -17.852 1.00 0.00 C ATOM 536 CD1 ILE A 35 -1.081 -15.079 -16.597 1.00 0.00 C ATOM 0 H ILE A 35 0.191 -12.272 -14.108 1.00 0.00 H new ATOM 0 HA ILE A 35 1.221 -14.709 -15.373 1.00 0.00 H new ATOM 0 HB ILE A 35 0.487 -11.990 -16.541 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.483 -13.164 -15.748 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.448 -13.182 -17.500 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.697 -13.113 -18.723 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.240 -13.107 -17.836 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.259 -14.590 -17.906 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.135 -15.356 -16.615 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.582 -15.493 -17.473 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.617 -15.475 -15.694 1.00 0.00 H new TER 548 ILE A 35