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 Set 1.1: A 1 GLU N :NH3+ -114:sc= 0.112 (180deg=0) USER MOD Set 1.2: A 15 GLN : amide:sc= -6.73! C(o=-6.6!,f=-9.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0212 X(o=-0.021,f=-0.2) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 18 LYS NZ :NH3+ -139:sc= -0.373 (180deg=-1.76!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -30:sc= -2.25 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+ -161:sc= -0.0672 (180deg=-0.373) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0968 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.370 0.069 0.160 1.00 0.00 N ATOM 2 CA GLU A 1 2.182 0.053 -1.052 1.00 0.00 C ATOM 3 C GLU A 1 1.825 -1.142 -1.931 1.00 0.00 C ATOM 4 O GLU A 1 1.045 -2.008 -1.534 1.00 0.00 O ATOM 5 CB GLU A 1 3.669 0.011 -0.695 1.00 0.00 C ATOM 6 CG GLU A 1 4.271 1.381 -0.432 1.00 0.00 C ATOM 7 CD GLU A 1 5.452 1.327 0.518 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.956 0.215 0.777 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.872 2.399 1.003 1.00 0.00 O ATOM 0 H1 GLU A 1 0.744 0.899 0.147 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.796 -0.797 0.205 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.991 0.116 0.993 1.00 0.00 H new ATOM 0 HA GLU A 1 1.975 0.966 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.804 -0.612 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.216 -0.467 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.590 1.821 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 1 3.505 2.037 -0.017 1.00 0.00 H new ATOM 16 N CYS A 2 2.400 -1.181 -3.128 1.00 0.00 N ATOM 17 CA CYS A 2 2.143 -2.268 -4.065 1.00 0.00 C ATOM 18 C CYS A 2 2.896 -3.530 -3.654 1.00 0.00 C ATOM 19 O CYS A 2 4.103 -3.495 -3.411 1.00 0.00 O ATOM 20 CB CYS A 2 2.551 -1.856 -5.481 1.00 0.00 C ATOM 21 SG CYS A 2 2.188 -0.116 -5.883 1.00 0.00 S ATOM 0 H CYS A 2 3.047 -0.472 -3.472 1.00 0.00 H new ATOM 0 HA CYS A 2 1.074 -2.482 -4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.620 -2.031 -5.605 1.00 0.00 H new ATOM 0 HB3 CYS A 2 2.038 -2.498 -6.197 1.00 0.00 H new ATOM 26 N LEU A 3 2.175 -4.644 -3.579 1.00 0.00 N ATOM 27 CA LEU A 3 2.773 -5.918 -3.198 1.00 0.00 C ATOM 28 C LEU A 3 2.827 -6.872 -4.387 1.00 0.00 C ATOM 29 O LEU A 3 1.902 -7.651 -4.612 1.00 0.00 O ATOM 30 CB LEU A 3 1.981 -6.555 -2.055 1.00 0.00 C ATOM 31 CG LEU A 3 1.107 -5.606 -1.234 1.00 0.00 C ATOM 32 CD1 LEU A 3 -0.097 -6.343 -0.669 1.00 0.00 C ATOM 33 CD2 LEU A 3 1.918 -4.969 -0.114 1.00 0.00 C ATOM 0 H LEU A 3 1.175 -4.690 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 3 3.792 -5.726 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.344 -7.335 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.684 -7.044 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 3 0.747 -4.814 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.707 -5.651 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.691 -6.751 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.242 -7.155 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.280 -4.297 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.307 -5.748 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.748 -4.406 -0.541 1.00 0.00 H new ATOM 45 N GLU A 4 3.918 -6.804 -5.144 1.00 0.00 N ATOM 46 CA GLU A 4 4.093 -7.663 -6.309 1.00 0.00 C ATOM 47 C GLU A 4 4.858 -8.931 -5.941 1.00 0.00 C ATOM 48 O GLU A 4 4.814 -9.927 -6.664 1.00 0.00 O ATOM 49 CB GLU A 4 4.833 -6.912 -7.418 1.00 0.00 C ATOM 50 CG GLU A 4 6.322 -6.754 -7.157 1.00 0.00 C ATOM 51 CD GLU A 4 6.950 -5.665 -8.005 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.220 -5.921 -9.196 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.171 -4.555 -7.475 1.00 0.00 O ATOM 0 H GLU A 4 4.693 -6.164 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 4 3.105 -7.948 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.692 -7.441 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.387 -5.925 -7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.480 -6.525 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.825 -7.700 -7.357 1.00 0.00 H new ATOM 60 N ILE A 5 5.557 -8.886 -4.812 1.00 0.00 N ATOM 61 CA ILE A 5 6.331 -10.031 -4.348 1.00 0.00 C ATOM 62 C ILE A 5 5.426 -11.095 -3.737 1.00 0.00 C ATOM 63 O ILE A 5 5.823 -12.250 -3.584 1.00 0.00 O ATOM 64 CB ILE A 5 7.386 -9.612 -3.307 1.00 0.00 C ATOM 65 CG1 ILE A 5 8.168 -10.834 -2.821 1.00 0.00 C ATOM 66 CG2 ILE A 5 6.723 -8.901 -2.137 1.00 0.00 C ATOM 67 CD1 ILE A 5 8.766 -11.654 -3.943 1.00 0.00 C ATOM 0 H ILE A 5 5.603 -8.070 -4.202 1.00 0.00 H new ATOM 0 HA ILE A 5 6.837 -10.445 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 5 8.085 -8.921 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.967 -10.504 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.506 -11.468 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.482 -8.611 -1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.207 -8.011 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.004 -9.571 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.306 -12.504 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.970 -12.015 -4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 5 9.454 -11.035 -4.519 1.00 0.00 H new ATOM 79 N PHE A 6 4.205 -10.699 -3.392 1.00 0.00 N ATOM 80 CA PHE A 6 3.242 -11.619 -2.798 1.00 0.00 C ATOM 81 C PHE A 6 3.058 -11.329 -1.311 1.00 0.00 C ATOM 82 O PHE A 6 2.787 -12.233 -0.520 1.00 0.00 O ATOM 83 CB PHE A 6 3.699 -13.066 -2.995 1.00 0.00 C ATOM 84 CG PHE A 6 4.488 -13.608 -1.838 1.00 0.00 C ATOM 85 CD1 PHE A 6 5.402 -12.808 -1.170 1.00 0.00 C ATOM 86 CD2 PHE A 6 4.317 -14.917 -1.419 1.00 0.00 C ATOM 87 CE1 PHE A 6 6.130 -13.304 -0.106 1.00 0.00 C ATOM 88 CE2 PHE A 6 5.043 -15.419 -0.354 1.00 0.00 C ATOM 89 CZ PHE A 6 5.950 -14.611 0.303 1.00 0.00 C ATOM 0 H PHE A 6 3.859 -9.747 -3.514 1.00 0.00 H new ATOM 0 HA PHE A 6 2.284 -11.477 -3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 6 2.824 -13.696 -3.155 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.306 -13.127 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.547 -11.785 -1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.609 -15.553 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.839 -12.670 0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.901 -16.441 -0.037 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.518 -15.000 1.135 1.00 0.00 H new ATOM 99 N LYS A 7 3.208 -10.063 -0.938 1.00 0.00 N ATOM 100 CA LYS A 7 3.059 -9.652 0.452 1.00 0.00 C ATOM 101 C LYS A 7 1.587 -9.595 0.848 1.00 0.00 C ATOM 102 O LYS A 7 0.742 -9.151 0.071 1.00 0.00 O ATOM 103 CB LYS A 7 3.711 -8.285 0.674 1.00 0.00 C ATOM 104 CG LYS A 7 4.424 -8.161 2.010 1.00 0.00 C ATOM 105 CD LYS A 7 5.858 -8.654 1.924 1.00 0.00 C ATOM 106 CE LYS A 7 6.619 -8.382 3.212 1.00 0.00 C ATOM 107 NZ LYS A 7 6.502 -9.513 4.175 1.00 0.00 N ATOM 0 H LYS A 7 3.433 -9.303 -1.580 1.00 0.00 H new ATOM 0 HA LYS A 7 3.557 -10.392 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.425 -8.098 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.946 -7.512 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.415 -7.120 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.886 -8.734 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.864 -9.724 1.716 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.363 -8.164 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.670 -8.207 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.238 -7.471 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.034 -9.289 5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.501 -9.664 4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.889 -10.377 3.744 1.00 0.00 H new ATOM 121 N ALA A 8 1.287 -10.046 2.061 1.00 0.00 N ATOM 122 CA ALA A 8 -0.082 -10.043 2.561 1.00 0.00 C ATOM 123 C ALA A 8 -0.774 -8.718 2.259 1.00 0.00 C ATOM 124 O ALA A 8 -0.389 -7.672 2.782 1.00 0.00 O ATOM 125 CB ALA A 8 -0.099 -10.321 4.057 1.00 0.00 C ATOM 0 H ALA A 8 1.974 -10.418 2.716 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.631 -10.834 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.128 -10.316 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.348 -11.296 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.471 -9.551 4.577 1.00 0.00 H new ATOM 131 N CYS A 9 -1.796 -8.769 1.412 1.00 0.00 N ATOM 132 CA CYS A 9 -2.541 -7.572 1.039 1.00 0.00 C ATOM 133 C CYS A 9 -3.711 -7.341 1.992 1.00 0.00 C ATOM 134 O CYS A 9 -4.274 -8.287 2.541 1.00 0.00 O ATOM 135 CB CYS A 9 -3.055 -7.693 -0.397 1.00 0.00 C ATOM 136 SG CYS A 9 -4.869 -7.799 -0.531 1.00 0.00 S ATOM 0 H CYS A 9 -2.128 -9.627 0.971 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.866 -6.718 1.106 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.709 -6.832 -0.969 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.615 -8.579 -0.856 1.00 0.00 H new ATOM 141 N ASN A 10 -4.070 -6.075 2.182 1.00 0.00 N ATOM 142 CA ASN A 10 -5.172 -5.719 3.069 1.00 0.00 C ATOM 143 C ASN A 10 -6.493 -5.680 2.306 1.00 0.00 C ATOM 144 O ASN A 10 -6.539 -5.388 1.111 1.00 0.00 O ATOM 145 CB ASN A 10 -4.908 -4.362 3.724 1.00 0.00 C ATOM 146 CG ASN A 10 -4.145 -4.488 5.028 1.00 0.00 C ATOM 147 OD1 ASN A 10 -3.260 -5.333 5.163 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.486 -3.646 5.997 1.00 0.00 N ATOM 0 H ASN A 10 -3.615 -5.280 1.734 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.243 -6.482 3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.344 -3.733 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.858 -3.860 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.008 -3.684 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.226 -2.961 5.841 1.00 0.00 H new ATOM 155 N PRO A 11 -7.593 -5.980 3.012 1.00 0.00 N ATOM 156 CA PRO A 11 -8.935 -5.985 2.422 1.00 0.00 C ATOM 157 C PRO A 11 -9.421 -4.582 2.076 1.00 0.00 C ATOM 158 O PRO A 11 -10.001 -4.360 1.013 1.00 0.00 O ATOM 159 CB PRO A 11 -9.804 -6.596 3.524 1.00 0.00 C ATOM 160 CG PRO A 11 -9.074 -6.303 4.789 1.00 0.00 C ATOM 161 CD PRO A 11 -7.612 -6.338 4.440 1.00 0.00 C ATOM 0 HA PRO A 11 -8.965 -6.536 1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.801 -6.156 3.531 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.930 -7.669 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.357 -5.328 5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.310 -7.041 5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.039 -5.630 5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.181 -7.324 4.613 1.00 0.00 H new ATOM 169 N SER A 12 -9.181 -3.637 2.980 1.00 0.00 N ATOM 170 CA SER A 12 -9.597 -2.256 2.771 1.00 0.00 C ATOM 171 C SER A 12 -8.421 -1.396 2.319 1.00 0.00 C ATOM 172 O SER A 12 -8.533 -0.620 1.371 1.00 0.00 O ATOM 173 CB SER A 12 -10.199 -1.683 4.056 1.00 0.00 C ATOM 174 OG SER A 12 -11.571 -2.020 4.171 1.00 0.00 O ATOM 0 H SER A 12 -8.700 -3.803 3.864 1.00 0.00 H new ATOM 0 HA SER A 12 -10.354 -2.245 1.987 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.654 -2.066 4.919 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.086 -0.599 4.062 1.00 0.00 H new ATOM 0 HG SER A 12 -11.932 -1.644 5.001 1.00 0.00 H new ATOM 180 N ASN A 13 -7.293 -1.540 3.007 1.00 0.00 N ATOM 181 CA ASN A 13 -6.094 -0.776 2.678 1.00 0.00 C ATOM 182 C ASN A 13 -5.535 -1.198 1.322 1.00 0.00 C ATOM 183 O ASN A 13 -4.736 -2.130 1.232 1.00 0.00 O ATOM 184 CB ASN A 13 -5.031 -0.965 3.762 1.00 0.00 C ATOM 185 CG ASN A 13 -4.156 0.262 3.933 1.00 0.00 C ATOM 186 OD1 ASN A 13 -3.415 0.641 3.025 1.00 0.00 O ATOM 187 ND2 ASN A 13 -4.238 0.889 5.100 1.00 0.00 N ATOM 0 H ASN A 13 -7.184 -2.178 3.795 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.367 0.278 2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.519 -1.195 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.406 -1.821 3.509 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.673 1.721 5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.866 0.539 5.824 1.00 0.00 H new ATOM 194 N ASP A 14 -5.961 -0.506 0.272 1.00 0.00 N ATOM 195 CA ASP A 14 -5.502 -0.807 -1.079 1.00 0.00 C ATOM 196 C ASP A 14 -3.979 -0.796 -1.151 1.00 0.00 C ATOM 197 O ASP A 14 -3.357 0.266 -1.153 1.00 0.00 O ATOM 198 CB ASP A 14 -6.080 0.201 -2.074 1.00 0.00 C ATOM 199 CG ASP A 14 -5.390 0.144 -3.423 1.00 0.00 C ATOM 200 OD1 ASP A 14 -5.092 -0.975 -3.889 1.00 0.00 O ATOM 201 OD2 ASP A 14 -5.148 1.219 -4.011 1.00 0.00 O ATOM 0 H ASP A 14 -6.624 0.267 0.330 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.852 -1.805 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.145 0.008 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.987 1.206 -1.664 1.00 0.00 H new ATOM 206 N GLN A 15 -3.385 -1.984 -1.209 1.00 0.00 N ATOM 207 CA GLN A 15 -1.934 -2.110 -1.279 1.00 0.00 C ATOM 208 C GLN A 15 -1.470 -2.262 -2.723 1.00 0.00 C ATOM 209 O GLN A 15 -0.773 -1.399 -3.257 1.00 0.00 O ATOM 210 CB GLN A 15 -1.465 -3.307 -0.450 1.00 0.00 C ATOM 211 CG GLN A 15 -1.497 -3.060 1.049 1.00 0.00 C ATOM 212 CD GLN A 15 -0.463 -3.877 1.798 1.00 0.00 C ATOM 213 OE1 GLN A 15 -0.690 -5.045 2.115 1.00 0.00 O ATOM 214 NE2 GLN A 15 0.681 -3.267 2.085 1.00 0.00 N ATOM 0 H GLN A 15 -3.886 -2.872 -1.209 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.495 -1.200 -0.870 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -2.094 -4.167 -0.681 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.448 -3.567 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.327 -2.001 1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.489 -3.299 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.827 -2.298 1.803 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.414 -3.768 2.587 1.00 0.00 H new ATOM 223 N CYS A 16 -1.860 -3.367 -3.351 1.00 0.00 N ATOM 224 CA CYS A 16 -1.483 -3.634 -4.734 1.00 0.00 C ATOM 225 C CYS A 16 -1.548 -2.360 -5.571 1.00 0.00 C ATOM 226 O CYS A 16 -2.384 -1.488 -5.332 1.00 0.00 O ATOM 227 CB CYS A 16 -2.400 -4.700 -5.337 1.00 0.00 C ATOM 228 SG CYS A 16 -2.847 -6.036 -4.182 1.00 0.00 S ATOM 0 H CYS A 16 -2.437 -4.092 -2.924 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.456 -4.000 -4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.312 -4.221 -5.692 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.910 -5.136 -6.207 1.00 0.00 H new ATOM 233 N CYS A 17 -0.659 -2.259 -6.554 1.00 0.00 N ATOM 234 CA CYS A 17 -0.614 -1.092 -7.428 1.00 0.00 C ATOM 235 C CYS A 17 -1.872 -1.006 -8.286 1.00 0.00 C ATOM 236 O CYS A 17 -2.803 -1.795 -8.124 1.00 0.00 O ATOM 237 CB CYS A 17 0.625 -1.148 -8.323 1.00 0.00 C ATOM 238 SG CYS A 17 1.932 0.034 -7.860 1.00 0.00 S ATOM 0 H CYS A 17 0.040 -2.971 -6.765 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.562 -0.201 -6.802 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.036 -2.157 -8.294 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.325 -0.956 -9.353 1.00 0.00 H new ATOM 243 N LYS A 18 -1.893 -0.043 -9.201 1.00 0.00 N ATOM 244 CA LYS A 18 -3.035 0.147 -10.087 1.00 0.00 C ATOM 245 C LYS A 18 -2.866 -0.658 -11.372 1.00 0.00 C ATOM 246 O LYS A 18 -3.382 -1.769 -11.492 1.00 0.00 O ATOM 247 CB LYS A 18 -3.206 1.631 -10.421 1.00 0.00 C ATOM 248 CG LYS A 18 -4.156 2.359 -9.486 1.00 0.00 C ATOM 249 CD LYS A 18 -3.537 2.565 -8.113 1.00 0.00 C ATOM 250 CE LYS A 18 -2.535 3.709 -8.119 1.00 0.00 C ATOM 251 NZ LYS A 18 -1.150 3.231 -8.386 1.00 0.00 N ATOM 0 H LYS A 18 -1.131 0.619 -9.348 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.927 -0.208 -9.571 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.231 2.117 -10.386 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.573 1.725 -11.443 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.422 3.325 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.080 1.789 -9.388 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.322 2.772 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.042 1.648 -7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.820 4.438 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.563 4.222 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.483 3.735 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.093 2.210 -8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.905 3.414 -9.380 1.00 0.00 H new ATOM 265 N SER A 19 -2.140 -0.090 -12.330 1.00 0.00 N ATOM 266 CA SER A 19 -1.905 -0.754 -13.607 1.00 0.00 C ATOM 267 C SER A 19 -1.204 -2.093 -13.401 1.00 0.00 C ATOM 268 O SER A 19 -1.236 -2.963 -14.272 1.00 0.00 O ATOM 269 CB SER A 19 -1.067 0.139 -14.523 1.00 0.00 C ATOM 270 OG SER A 19 -1.827 1.234 -15.004 1.00 0.00 O ATOM 0 H SER A 19 -1.704 0.828 -12.246 1.00 0.00 H new ATOM 0 HA SER A 19 -2.871 -0.938 -14.077 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.197 0.507 -13.980 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.694 -0.446 -15.364 1.00 0.00 H new ATOM 0 HG SER A 19 -1.268 1.790 -15.586 1.00 0.00 H new ATOM 276 N SER A 20 -0.570 -2.251 -12.244 1.00 0.00 N ATOM 277 CA SER A 20 0.143 -3.482 -11.924 1.00 0.00 C ATOM 278 C SER A 20 -0.780 -4.691 -12.040 1.00 0.00 C ATOM 279 O SER A 20 -1.989 -4.586 -11.829 1.00 0.00 O ATOM 280 CB SER A 20 0.728 -3.406 -10.513 1.00 0.00 C ATOM 281 OG SER A 20 -0.291 -3.506 -9.533 1.00 0.00 O ATOM 0 H SER A 20 -0.535 -1.542 -11.512 1.00 0.00 H new ATOM 0 HA SER A 20 0.956 -3.598 -12.641 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.452 -4.208 -10.372 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.266 -2.466 -10.389 1.00 0.00 H new ATOM 0 HG SER A 20 -1.124 -3.133 -9.888 1.00 0.00 H new ATOM 287 N LYS A 21 -0.203 -5.839 -12.378 1.00 0.00 N ATOM 288 CA LYS A 21 -0.971 -7.069 -12.522 1.00 0.00 C ATOM 289 C LYS A 21 -1.085 -7.799 -11.187 1.00 0.00 C ATOM 290 O LYS A 21 -1.997 -8.601 -10.982 1.00 0.00 O ATOM 291 CB LYS A 21 -0.319 -7.984 -13.561 1.00 0.00 C ATOM 292 CG LYS A 21 -0.290 -7.392 -14.960 1.00 0.00 C ATOM 293 CD LYS A 21 0.677 -8.140 -15.862 1.00 0.00 C ATOM 294 CE LYS A 21 0.223 -8.110 -17.313 1.00 0.00 C ATOM 295 NZ LYS A 21 0.922 -9.136 -18.135 1.00 0.00 N ATOM 0 H LYS A 21 0.796 -5.943 -12.558 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.973 -6.804 -12.858 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.701 -8.206 -13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.857 -8.931 -13.587 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.291 -7.425 -15.391 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.001 -6.342 -14.906 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.669 -7.696 -15.781 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.762 -9.174 -15.528 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.853 -8.278 -17.360 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.410 -7.121 -17.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.584 -9.083 -19.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.947 -8.961 -18.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.724 -10.082 -17.752 1.00 0.00 H new ATOM 309 N LEU A 22 -0.155 -7.515 -10.282 1.00 0.00 N ATOM 310 CA LEU A 22 -0.152 -8.143 -8.965 1.00 0.00 C ATOM 311 C LEU A 22 -1.570 -8.267 -8.418 1.00 0.00 C ATOM 312 O LEU A 22 -2.198 -7.270 -8.059 1.00 0.00 O ATOM 313 CB LEU A 22 0.712 -7.336 -7.995 1.00 0.00 C ATOM 314 CG LEU A 22 1.189 -5.972 -8.497 1.00 0.00 C ATOM 315 CD1 LEU A 22 1.371 -5.009 -7.334 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.485 -6.115 -9.281 1.00 0.00 C ATOM 0 H LEU A 22 0.607 -6.854 -10.436 1.00 0.00 H new ATOM 0 HA LEU A 22 0.267 -9.144 -9.068 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.147 -7.185 -7.075 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.587 -7.932 -7.737 1.00 0.00 H new ATOM 0 HG LEU A 22 0.428 -5.565 -9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.711 -4.044 -7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.421 -4.882 -6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.112 -5.410 -6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.809 -5.135 -9.630 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.254 -6.544 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.322 -6.769 -10.137 1.00 0.00 H new ATOM 328 N VAL A 23 -2.069 -9.497 -8.354 1.00 0.00 N ATOM 329 CA VAL A 23 -3.412 -9.753 -7.847 1.00 0.00 C ATOM 330 C VAL A 23 -3.370 -10.265 -6.412 1.00 0.00 C ATOM 331 O VAL A 23 -2.445 -10.980 -6.023 1.00 0.00 O ATOM 332 CB VAL A 23 -4.158 -10.776 -8.724 1.00 0.00 C ATOM 333 CG1 VAL A 23 -3.426 -12.109 -8.729 1.00 0.00 C ATOM 334 CG2 VAL A 23 -5.591 -10.947 -8.241 1.00 0.00 C ATOM 0 H VAL A 23 -1.563 -10.333 -8.647 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.947 -8.803 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.186 -10.400 -9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.968 -12.819 -9.354 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.420 -11.970 -9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.365 -12.494 -7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.103 -11.673 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.588 -11.300 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.110 -9.990 -8.295 1.00 0.00 H new ATOM 344 N CYS A 24 -4.376 -9.895 -5.628 1.00 0.00 N ATOM 345 CA CYS A 24 -4.455 -10.317 -4.234 1.00 0.00 C ATOM 346 C CYS A 24 -5.732 -11.112 -3.978 1.00 0.00 C ATOM 347 O CYS A 24 -5.765 -11.993 -3.119 1.00 0.00 O ATOM 348 CB CYS A 24 -4.405 -9.100 -3.308 1.00 0.00 C ATOM 349 SG CYS A 24 -5.331 -9.310 -1.753 1.00 0.00 S ATOM 0 H CYS A 24 -5.149 -9.303 -5.934 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.600 -10.960 -4.026 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.364 -8.879 -3.072 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.801 -8.235 -3.840 1.00 0.00 H new ATOM 354 N SER A 25 -6.782 -10.795 -4.730 1.00 0.00 N ATOM 355 CA SER A 25 -8.062 -11.477 -4.582 1.00 0.00 C ATOM 356 C SER A 25 -7.998 -12.884 -5.167 1.00 0.00 C ATOM 357 O SER A 25 -8.246 -13.869 -4.472 1.00 0.00 O ATOM 358 CB SER A 25 -9.172 -10.677 -5.268 1.00 0.00 C ATOM 359 OG SER A 25 -10.449 -11.067 -4.793 1.00 0.00 O ATOM 0 H SER A 25 -6.771 -10.070 -5.448 1.00 0.00 H new ATOM 0 HA SER A 25 -8.284 -11.554 -3.518 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.023 -9.613 -5.087 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.120 -10.827 -6.346 1.00 0.00 H new ATOM 0 HG SER A 25 -11.141 -10.540 -5.245 1.00 0.00 H new ATOM 365 N ARG A 26 -7.664 -12.970 -6.451 1.00 0.00 N ATOM 366 CA ARG A 26 -7.568 -14.256 -7.131 1.00 0.00 C ATOM 367 C ARG A 26 -6.779 -15.257 -6.293 1.00 0.00 C ATOM 368 O ARG A 26 -7.262 -16.349 -5.991 1.00 0.00 O ATOM 369 CB ARG A 26 -6.906 -14.086 -8.499 1.00 0.00 C ATOM 370 CG ARG A 26 -7.798 -13.411 -9.528 1.00 0.00 C ATOM 371 CD ARG A 26 -7.163 -13.424 -10.910 1.00 0.00 C ATOM 372 NE ARG A 26 -8.063 -12.893 -11.930 1.00 0.00 N ATOM 373 CZ ARG A 26 -7.836 -12.995 -13.235 1.00 0.00 C ATOM 374 NH1 ARG A 26 -6.745 -13.606 -13.676 1.00 0.00 N ATOM 375 NH2 ARG A 26 -8.702 -12.487 -14.102 1.00 0.00 N ATOM 0 H ARG A 26 -7.455 -12.164 -7.041 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.578 -14.641 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.994 -13.501 -8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.610 -15.066 -8.874 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.762 -13.919 -9.564 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.991 -12.382 -9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.246 -12.835 -10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.882 -14.444 -11.170 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.912 -12.418 -11.624 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.077 -13.999 -13.013 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.573 -13.683 -14.679 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.543 -12.017 -13.767 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.527 -12.566 -15.104 1.00 0.00 H new ATOM 389 N LYS A 27 -5.561 -14.878 -5.920 1.00 0.00 N ATOM 390 CA LYS A 27 -4.703 -15.741 -5.116 1.00 0.00 C ATOM 391 C LYS A 27 -4.900 -15.469 -3.628 1.00 0.00 C ATOM 392 O LYS A 27 -5.838 -14.778 -3.230 1.00 0.00 O ATOM 393 CB LYS A 27 -3.235 -15.531 -5.494 1.00 0.00 C ATOM 394 CG LYS A 27 -2.977 -15.594 -6.989 1.00 0.00 C ATOM 395 CD LYS A 27 -3.084 -17.016 -7.514 1.00 0.00 C ATOM 396 CE LYS A 27 -3.145 -17.047 -9.033 1.00 0.00 C ATOM 397 NZ LYS A 27 -4.397 -16.428 -9.550 1.00 0.00 N ATOM 0 H LYS A 27 -5.146 -13.978 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.979 -16.776 -5.318 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.907 -14.562 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.629 -16.288 -4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.693 -14.958 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.984 -15.199 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.227 -17.597 -7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.975 -17.490 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.283 -16.520 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.080 -18.079 -9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.562 -16.743 -10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.199 -16.716 -8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.306 -15.392 -9.530 1.00 0.00 H new ATOM 411 N THR A 28 -4.008 -16.016 -2.808 1.00 0.00 N ATOM 412 CA THR A 28 -4.083 -15.833 -1.364 1.00 0.00 C ATOM 413 C THR A 28 -4.181 -14.355 -1.002 1.00 0.00 C ATOM 414 O THR A 28 -4.073 -13.486 -1.867 1.00 0.00 O ATOM 415 CB THR A 28 -2.859 -16.442 -0.655 1.00 0.00 C ATOM 416 OG1 THR A 28 -2.188 -17.353 -1.533 1.00 0.00 O ATOM 417 CG2 THR A 28 -3.275 -17.168 0.615 1.00 0.00 C ATOM 0 H THR A 28 -3.225 -16.590 -3.120 1.00 0.00 H new ATOM 0 HA THR A 28 -4.982 -16.349 -1.027 1.00 0.00 H new ATOM 0 HB THR A 28 -2.182 -15.631 -0.386 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.410 -17.735 -1.076 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.394 -17.590 1.098 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.760 -16.466 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.970 -17.969 0.365 1.00 0.00 H new ATOM 425 N ARG A 29 -4.387 -14.077 0.281 1.00 0.00 N ATOM 426 CA ARG A 29 -4.501 -12.704 0.757 1.00 0.00 C ATOM 427 C ARG A 29 -3.319 -11.864 0.281 1.00 0.00 C ATOM 428 O ARG A 29 -3.398 -10.637 0.228 1.00 0.00 O ATOM 429 CB ARG A 29 -4.577 -12.675 2.285 1.00 0.00 C ATOM 430 CG ARG A 29 -5.635 -13.604 2.859 1.00 0.00 C ATOM 431 CD ARG A 29 -7.007 -13.317 2.271 1.00 0.00 C ATOM 432 NE ARG A 29 -8.082 -13.834 3.114 1.00 0.00 N ATOM 433 CZ ARG A 29 -8.458 -13.269 4.256 1.00 0.00 C ATOM 434 NH1 ARG A 29 -7.848 -12.174 4.689 1.00 0.00 N ATOM 435 NH2 ARG A 29 -9.445 -13.798 4.966 1.00 0.00 N ATOM 0 H ARG A 29 -4.478 -14.785 1.010 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.417 -12.279 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.604 -12.949 2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.785 -11.656 2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.360 -14.639 2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.671 -13.490 3.942 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.130 -12.241 2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.077 -13.764 1.279 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.571 -14.675 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.089 -11.764 4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.138 -11.742 5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.917 -14.640 4.636 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.733 -13.363 5.843 1.00 0.00 H new ATOM 449 N ALA A 30 -2.224 -12.534 -0.064 1.00 0.00 N ATOM 450 CA ALA A 30 -1.027 -11.850 -0.538 1.00 0.00 C ATOM 451 C ALA A 30 -1.179 -11.421 -1.993 1.00 0.00 C ATOM 452 O ALA A 30 -1.821 -12.107 -2.789 1.00 0.00 O ATOM 453 CB ALA A 30 0.192 -12.746 -0.374 1.00 0.00 C ATOM 0 H ALA A 30 -2.141 -13.550 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.889 -10.952 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.079 -12.223 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.319 -12.998 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.052 -13.660 -0.951 1.00 0.00 H new ATOM 459 N CYS A 31 -0.586 -10.282 -2.334 1.00 0.00 N ATOM 460 CA CYS A 31 -0.656 -9.760 -3.694 1.00 0.00 C ATOM 461 C CYS A 31 0.625 -10.071 -4.462 1.00 0.00 C ATOM 462 O CYS A 31 1.715 -9.653 -4.070 1.00 0.00 O ATOM 463 CB CYS A 31 -0.896 -8.250 -3.671 1.00 0.00 C ATOM 464 SG CYS A 31 -1.996 -7.651 -4.994 1.00 0.00 S ATOM 0 H CYS A 31 -0.051 -9.702 -1.687 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.490 -10.246 -4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.323 -7.976 -2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.063 -7.739 -3.752 1.00 0.00 H new ATOM 469 N LYS A 32 0.486 -10.808 -5.559 1.00 0.00 N ATOM 470 CA LYS A 32 1.631 -11.175 -6.385 1.00 0.00 C ATOM 471 C LYS A 32 1.253 -11.188 -7.863 1.00 0.00 C ATOM 472 O LYS A 32 0.106 -11.459 -8.218 1.00 0.00 O ATOM 473 CB LYS A 32 2.164 -12.548 -5.972 1.00 0.00 C ATOM 474 CG LYS A 32 1.443 -13.707 -6.638 1.00 0.00 C ATOM 475 CD LYS A 32 1.417 -14.935 -5.745 1.00 0.00 C ATOM 476 CE LYS A 32 2.590 -15.859 -6.034 1.00 0.00 C ATOM 477 NZ LYS A 32 2.335 -17.246 -5.555 1.00 0.00 N ATOM 0 H LYS A 32 -0.408 -11.163 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 32 2.411 -10.429 -6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.225 -12.604 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.078 -12.651 -4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.422 -13.411 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.936 -13.951 -7.579 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.444 -14.627 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.482 -15.475 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.784 -15.875 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.487 -15.468 -5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.158 -17.845 -5.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.175 -17.235 -4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.494 -17.629 -6.032 1.00 0.00 H new ATOM 491 N TYR A 33 2.225 -10.895 -8.720 1.00 0.00 N ATOM 492 CA TYR A 33 1.994 -10.872 -10.159 1.00 0.00 C ATOM 493 C TYR A 33 1.338 -12.168 -10.626 1.00 0.00 C ATOM 494 O TYR A 33 1.572 -13.234 -10.058 1.00 0.00 O ATOM 495 CB TYR A 33 3.312 -10.656 -10.905 1.00 0.00 C ATOM 496 CG TYR A 33 4.419 -11.585 -10.459 1.00 0.00 C ATOM 497 CD1 TYR A 33 4.504 -12.882 -10.951 1.00 0.00 C ATOM 498 CD2 TYR A 33 5.378 -11.166 -9.546 1.00 0.00 C ATOM 499 CE1 TYR A 33 5.513 -13.734 -10.546 1.00 0.00 C ATOM 500 CE2 TYR A 33 6.392 -12.011 -9.137 1.00 0.00 C ATOM 501 CZ TYR A 33 6.455 -13.294 -9.639 1.00 0.00 C ATOM 502 OH TYR A 33 7.462 -14.139 -9.233 1.00 0.00 O ATOM 0 H TYR A 33 3.180 -10.670 -8.443 1.00 0.00 H new ATOM 0 HA TYR A 33 1.320 -10.045 -10.380 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.142 -10.793 -11.973 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.635 -9.625 -10.763 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.769 -13.230 -11.662 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.330 -10.163 -9.149 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.564 -14.739 -10.937 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.131 -11.669 -8.428 1.00 0.00 H new ATOM 0 HH TYR A 33 8.041 -13.674 -8.594 1.00 0.00 H new ATOM 512 N GLN A 34 0.516 -12.066 -11.666 1.00 0.00 N ATOM 513 CA GLN A 34 -0.174 -13.230 -12.210 1.00 0.00 C ATOM 514 C GLN A 34 0.800 -14.147 -12.943 1.00 0.00 C ATOM 515 O GLN A 34 1.539 -13.706 -13.824 1.00 0.00 O ATOM 516 CB GLN A 34 -1.290 -12.789 -13.159 1.00 0.00 C ATOM 517 CG GLN A 34 -2.335 -11.903 -12.500 1.00 0.00 C ATOM 518 CD GLN A 34 -3.387 -11.416 -13.476 1.00 0.00 C ATOM 519 OE1 GLN A 34 -3.530 -11.956 -14.573 1.00 0.00 O ATOM 520 NE2 GLN A 34 -4.131 -10.390 -13.081 1.00 0.00 N ATOM 0 H GLN A 34 0.312 -11.191 -12.148 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.610 -13.784 -11.379 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.850 -12.253 -14.000 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.780 -13.673 -13.566 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.820 -12.456 -11.696 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.842 -11.044 -12.044 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.978 -9.973 -12.163 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.856 -10.019 -13.696 1.00 0.00 H new ATOM 529 N ILE A 35 0.795 -15.423 -12.572 1.00 0.00 N ATOM 530 CA ILE A 35 1.678 -16.402 -13.195 1.00 0.00 C ATOM 531 C ILE A 35 1.055 -16.975 -14.463 1.00 0.00 C ATOM 532 O ILE A 35 -0.073 -17.469 -14.445 1.00 0.00 O ATOM 533 CB ILE A 35 2.008 -17.556 -12.230 1.00 0.00 C ATOM 534 CG1 ILE A 35 2.616 -17.011 -10.937 1.00 0.00 C ATOM 535 CG2 ILE A 35 2.956 -18.545 -12.892 1.00 0.00 C ATOM 536 CD1 ILE A 35 2.682 -18.032 -9.823 1.00 0.00 C ATOM 0 H ILE A 35 0.190 -15.803 -11.844 1.00 0.00 H new ATOM 0 HA ILE A 35 2.600 -15.879 -13.451 1.00 0.00 H new ATOM 0 HB ILE A 35 1.084 -18.078 -11.982 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.622 -16.645 -11.144 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.029 -16.156 -10.601 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.180 -19.355 -12.198 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.488 -18.954 -13.788 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.880 -18.036 -13.166 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.124 -17.576 -8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.676 -18.380 -9.588 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.294 -18.877 -10.140 1.00 0.00 H new TER 548 ILE A 35