USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 263 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 GLY N :NH3+ -120:sc= 0.106 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00363 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.243) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 19 THR OG1 : rot 9:sc= 0.756 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 36:sc= 0.119 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0808 K(o=-0.081,f=-1.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -0.0516 (180deg=-0.262) USER MOD Single : A 34 TYR OH : rot 180:sc= -0.57 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.521 -0.407 -1.126 1.00 54.50 N ATOM 2 CA GLY A 1 2.536 0.520 -1.650 1.00 52.54 C ATOM 3 C GLY A 1 1.736 -0.069 -2.796 1.00 24.32 C ATOM 4 O GLY A 1 1.967 -1.209 -3.199 1.00 14.00 O ATOM 0 H1 GLY A 1 3.326 -0.589 -0.121 1.00 54.50 H new ATOM 0 H2 GLY A 1 3.473 -1.301 -1.656 1.00 54.50 H new ATOM 0 H3 GLY A 1 4.471 0.004 -1.225 1.00 54.50 H new ATOM 0 HA2 GLY A 1 1.856 0.814 -0.850 1.00 52.54 H new ATOM 0 HA3 GLY A 1 3.039 1.426 -1.990 1.00 52.54 H new ATOM 8 N ASP A 2 0.794 0.708 -3.319 1.00 62.10 N ATOM 9 CA ASP A 2 -0.042 0.256 -4.424 1.00 71.35 C ATOM 10 C ASP A 2 0.807 -0.076 -5.648 1.00 35.32 C ATOM 11 O ASP A 2 1.768 0.627 -5.957 1.00 65.54 O ATOM 12 CB ASP A 2 -1.076 1.325 -4.780 1.00 63.04 C ATOM 13 CG ASP A 2 -2.287 1.286 -3.870 1.00 61.13 C ATOM 14 OD1 ASP A 2 -3.209 2.104 -4.073 1.00 34.22 O ATOM 15 OD2 ASP A 2 -2.314 0.436 -2.956 1.00 0.23 O1- ATOM 0 H ASP A 2 0.591 1.654 -2.995 1.00 62.10 H new ATOM 0 HA ASP A 2 -0.561 -0.649 -4.108 1.00 71.35 H new ATOM 0 HB2 ASP A 2 -0.612 2.309 -4.720 1.00 63.04 H new ATOM 0 HB3 ASP A 2 -1.397 1.186 -5.813 1.00 63.04 H new ATOM 20 N ILE A 3 0.444 -1.152 -6.338 1.00 65.02 N ATOM 21 CA ILE A 3 1.172 -1.577 -7.527 1.00 62.21 C ATOM 22 C ILE A 3 0.730 -0.788 -8.755 1.00 1.00 C ATOM 23 O ILE A 3 -0.462 -0.692 -9.049 1.00 25.10 O ATOM 24 CB ILE A 3 0.977 -3.081 -7.800 1.00 4.52 C ATOM 25 CG1 ILE A 3 1.448 -3.905 -6.599 1.00 45.41 C ATOM 26 CG2 ILE A 3 1.727 -3.492 -9.059 1.00 31.14 C ATOM 27 CD1 ILE A 3 0.379 -4.107 -5.549 1.00 33.10 C ATOM 0 H ILE A 3 -0.349 -1.745 -6.094 1.00 65.02 H new ATOM 0 HA ILE A 3 2.228 -1.384 -7.335 1.00 62.21 H new ATOM 0 HB ILE A 3 -0.085 -3.273 -7.954 1.00 4.52 H new ATOM 0 HG12 ILE A 3 1.791 -4.879 -6.949 1.00 45.41 H new ATOM 0 HG13 ILE A 3 2.305 -3.410 -6.143 1.00 45.41 H new ATOM 0 HG21 ILE A 3 1.580 -4.557 -9.239 1.00 31.14 H new ATOM 0 HG22 ILE A 3 1.349 -2.925 -9.909 1.00 31.14 H new ATOM 0 HG23 ILE A 3 2.790 -3.289 -8.932 1.00 31.14 H new ATOM 0 HD11 ILE A 3 0.783 -4.699 -4.728 1.00 33.10 H new ATOM 0 HD12 ILE A 3 0.052 -3.138 -5.171 1.00 33.10 H new ATOM 0 HD13 ILE A 3 -0.470 -4.630 -5.990 1.00 33.10 H new ATOM 39 N LYS A 4 1.698 -0.225 -9.470 1.00 42.23 N ATOM 40 CA LYS A 4 1.410 0.555 -10.668 1.00 60.33 C ATOM 41 C LYS A 4 0.907 -0.344 -11.794 1.00 34.13 C ATOM 42 O LYS A 4 1.430 -1.438 -12.010 1.00 0.02 O ATOM 43 CB LYS A 4 2.661 1.308 -11.124 1.00 0.52 C ATOM 44 CG LYS A 4 2.433 2.185 -12.343 1.00 53.23 C ATOM 45 CD LYS A 4 2.674 1.421 -13.633 1.00 21.10 C ATOM 46 CE LYS A 4 3.126 2.345 -14.754 1.00 14.23 C ATOM 47 NZ LYS A 4 2.021 3.222 -15.228 1.00 54.30 N1+ ATOM 0 H LYS A 4 2.689 -0.294 -9.241 1.00 42.23 H new ATOM 0 HA LYS A 4 0.629 1.275 -10.424 1.00 60.33 H new ATOM 0 HB2 LYS A 4 3.021 1.928 -10.303 1.00 0.52 H new ATOM 0 HB3 LYS A 4 3.447 0.587 -11.348 1.00 0.52 H new ATOM 0 HG2 LYS A 4 1.412 2.568 -12.331 1.00 53.23 H new ATOM 0 HG3 LYS A 4 3.098 3.048 -12.301 1.00 53.23 H new ATOM 0 HD2 LYS A 4 3.430 0.653 -13.466 1.00 21.10 H new ATOM 0 HD3 LYS A 4 1.759 0.908 -13.930 1.00 21.10 H new ATOM 0 HE2 LYS A 4 3.955 2.961 -14.405 1.00 14.23 H new ATOM 0 HE3 LYS A 4 3.500 1.750 -15.587 1.00 14.23 H new ATOM 0 HZ1 LYS A 4 2.369 3.836 -15.992 1.00 54.30 H new ATOM 0 HZ2 LYS A 4 1.240 2.635 -15.585 1.00 54.30 H new ATOM 0 HZ3 LYS A 4 1.681 3.809 -14.439 1.00 54.30 H new ATOM 61 N CYS A 5 -0.110 0.124 -12.509 1.00 10.41 N ATOM 62 CA CYS A 5 -0.684 -0.636 -13.613 1.00 21.11 C ATOM 63 C CYS A 5 -1.540 0.260 -14.504 1.00 1.33 C ATOM 64 O CYS A 5 -1.750 1.434 -14.200 1.00 73.11 O ATOM 65 CB CYS A 5 -1.526 -1.795 -13.077 1.00 60.55 C ATOM 66 SG CYS A 5 -2.824 -1.293 -11.903 1.00 4.21 S ATOM 0 H CYS A 5 -0.554 1.027 -12.344 1.00 10.41 H new ATOM 0 HA CYS A 5 0.135 -1.036 -14.211 1.00 21.11 H new ATOM 0 HB2 CYS A 5 -1.991 -2.311 -13.917 1.00 60.55 H new ATOM 0 HB3 CYS A 5 -0.867 -2.513 -12.588 1.00 60.55 H new ATOM 71 N SER A 6 -2.030 -0.303 -15.602 1.00 42.24 N ATOM 72 CA SER A 6 -2.860 0.445 -16.539 1.00 61.44 C ATOM 73 C SER A 6 -4.267 -0.142 -16.608 1.00 32.03 C ATOM 74 O SER A 6 -5.258 0.587 -16.572 1.00 63.32 O ATOM 75 CB SER A 6 -2.226 0.440 -17.932 1.00 50.22 C ATOM 76 OG SER A 6 -3.047 1.116 -18.869 1.00 20.54 O ATOM 0 H SER A 6 -1.867 -1.275 -15.866 1.00 42.24 H new ATOM 0 HA SER A 6 -2.930 1.473 -16.182 1.00 61.44 H new ATOM 0 HB2 SER A 6 -1.247 0.917 -17.891 1.00 50.22 H new ATOM 0 HB3 SER A 6 -2.066 -0.588 -18.259 1.00 50.22 H new ATOM 0 HG SER A 6 -2.619 1.100 -19.750 1.00 20.54 H new ATOM 82 N GLY A 7 -4.346 -1.466 -16.705 1.00 64.14 N ATOM 83 CA GLY A 7 -5.633 -2.129 -16.777 1.00 33.31 C ATOM 84 C GLY A 7 -5.967 -2.888 -15.507 1.00 44.41 C ATOM 85 O GLY A 7 -5.287 -2.742 -14.491 1.00 64.33 O ATOM 0 H GLY A 7 -3.540 -2.091 -16.735 1.00 64.14 H new ATOM 0 HA2 GLY A 7 -6.409 -1.388 -16.969 1.00 33.31 H new ATOM 0 HA3 GLY A 7 -5.636 -2.819 -17.620 1.00 33.31 H new ATOM 89 N THR A 8 -7.018 -3.699 -15.563 1.00 13.31 N ATOM 90 CA THR A 8 -7.442 -4.480 -14.407 1.00 70.34 C ATOM 91 C THR A 8 -6.574 -5.721 -14.235 1.00 24.33 C ATOM 92 O THR A 8 -6.019 -5.958 -13.161 1.00 53.31 O ATOM 93 CB THR A 8 -8.915 -4.913 -14.532 1.00 51.14 C ATOM 94 OG1 THR A 8 -9.644 -3.952 -15.304 1.00 73.14 O ATOM 95 CG2 THR A 8 -9.555 -5.057 -13.160 1.00 22.01 C ATOM 0 H THR A 8 -7.591 -3.833 -16.396 1.00 13.31 H new ATOM 0 HA THR A 8 -7.332 -3.838 -13.533 1.00 70.34 H new ATOM 0 HB THR A 8 -8.945 -5.880 -15.033 1.00 51.14 H new ATOM 0 HG1 THR A 8 -10.579 -4.235 -15.380 1.00 73.14 H new ATOM 0 HG21 THR A 8 -10.595 -5.363 -13.274 1.00 22.01 H new ATOM 0 HG22 THR A 8 -9.016 -5.809 -12.584 1.00 22.01 H new ATOM 0 HG23 THR A 8 -9.514 -4.102 -12.637 1.00 22.01 H new ATOM 103 N ARG A 9 -6.458 -6.510 -15.298 1.00 63.03 N ATOM 104 CA ARG A 9 -5.656 -7.727 -15.263 1.00 35.22 C ATOM 105 C ARG A 9 -4.251 -7.437 -14.745 1.00 62.21 C ATOM 106 O ARG A 9 -3.718 -8.180 -13.921 1.00 12.24 O ATOM 107 CB ARG A 9 -5.580 -8.354 -16.656 1.00 50.11 C ATOM 108 CG ARG A 9 -5.099 -7.392 -17.730 1.00 54.31 C ATOM 109 CD ARG A 9 -5.284 -7.974 -19.123 1.00 31.23 C ATOM 110 NE ARG A 9 -4.853 -7.048 -20.165 1.00 53.25 N ATOM 111 CZ ARG A 9 -5.565 -5.995 -20.553 1.00 74.41 C ATOM 112 NH1 ARG A 9 -6.736 -5.737 -19.987 1.00 43.15 N1+ ATOM 113 NH2 ARG A 9 -5.106 -5.197 -21.509 1.00 42.11 N ATOM 0 H ARG A 9 -6.909 -6.328 -16.194 1.00 63.03 H new ATOM 0 HA ARG A 9 -6.137 -8.430 -14.583 1.00 35.22 H new ATOM 0 HB2 ARG A 9 -4.910 -9.213 -16.623 1.00 50.11 H new ATOM 0 HB3 ARG A 9 -6.566 -8.729 -16.931 1.00 50.11 H new ATOM 0 HG2 ARG A 9 -5.647 -6.453 -17.651 1.00 54.31 H new ATOM 0 HG3 ARG A 9 -4.046 -7.161 -17.568 1.00 54.31 H new ATOM 0 HD2 ARG A 9 -4.718 -8.902 -19.206 1.00 31.23 H new ATOM 0 HD3 ARG A 9 -6.334 -8.226 -19.274 1.00 31.23 H new ATOM 0 HE ARG A 9 -3.956 -7.218 -20.620 1.00 53.25 H new ATOM 0 HH11 ARG A 9 -7.093 -6.347 -19.252 1.00 43.15 H new ATOM 0 HH12 ARG A 9 -7.280 -4.928 -20.287 1.00 43.15 H new ATOM 0 HH21 ARG A 9 -4.206 -5.391 -21.947 1.00 42.11 H new ATOM 0 HH22 ARG A 9 -5.654 -4.389 -21.806 1.00 42.11 H new ATOM 127 N GLN A 10 -3.656 -6.355 -15.237 1.00 2.21 N ATOM 128 CA GLN A 10 -2.312 -5.969 -14.824 1.00 65.23 C ATOM 129 C GLN A 10 -2.201 -5.921 -13.305 1.00 0.55 C ATOM 130 O GLN A 10 -1.135 -6.168 -12.740 1.00 51.15 O ATOM 131 CB GLN A 10 -1.946 -4.608 -15.418 1.00 4.11 C ATOM 132 CG GLN A 10 -1.620 -4.659 -16.902 1.00 74.01 C ATOM 133 CD GLN A 10 -0.177 -5.036 -17.171 1.00 42.22 C ATOM 134 OE1 GLN A 10 0.461 -5.713 -16.364 1.00 13.10 O ATOM 135 NE2 GLN A 10 0.347 -4.599 -18.310 1.00 2.11 N ATOM 0 H GLN A 10 -4.083 -5.731 -15.921 1.00 2.21 H new ATOM 0 HA GLN A 10 -1.615 -6.720 -15.196 1.00 65.23 H new ATOM 0 HB2 GLN A 10 -2.774 -3.917 -15.260 1.00 4.11 H new ATOM 0 HB3 GLN A 10 -1.088 -4.205 -14.880 1.00 4.11 H new ATOM 0 HG2 GLN A 10 -2.276 -5.380 -17.389 1.00 74.01 H new ATOM 0 HG3 GLN A 10 -1.827 -3.687 -17.349 1.00 74.01 H new ATOM 0 HE21 GLN A 10 -0.218 -4.041 -18.950 1.00 2.11 H new ATOM 0 HE22 GLN A 10 1.314 -4.822 -18.545 1.00 2.11 H new ATOM 144 N CYS A 11 -3.309 -5.599 -12.646 1.00 12.13 N ATOM 145 CA CYS A 11 -3.338 -5.517 -11.190 1.00 65.14 C ATOM 146 C CYS A 11 -3.540 -6.897 -10.571 1.00 41.34 C ATOM 147 O CYS A 11 -2.948 -7.219 -9.542 1.00 2.11 O ATOM 148 CB CYS A 11 -4.452 -4.573 -10.734 1.00 10.03 C ATOM 149 SG CYS A 11 -4.694 -4.527 -8.929 1.00 1.12 S ATOM 0 H CYS A 11 -4.200 -5.390 -13.097 1.00 12.13 H new ATOM 0 HA CYS A 11 -2.378 -5.125 -10.854 1.00 65.14 H new ATOM 0 HB2 CYS A 11 -4.227 -3.566 -11.086 1.00 10.03 H new ATOM 0 HB3 CYS A 11 -5.386 -4.875 -11.208 1.00 10.03 H new ATOM 154 N TRP A 12 -4.379 -7.706 -11.206 1.00 72.32 N ATOM 155 CA TRP A 12 -4.660 -9.053 -10.719 1.00 3.31 C ATOM 156 C TRP A 12 -3.369 -9.844 -10.534 1.00 33.15 C ATOM 157 O TRP A 12 -3.220 -10.588 -9.566 1.00 61.15 O ATOM 158 CB TRP A 12 -5.588 -9.785 -11.688 1.00 71.44 C ATOM 159 CG TRP A 12 -6.926 -9.127 -11.842 1.00 61.14 C ATOM 160 CD1 TRP A 12 -7.387 -8.040 -11.157 1.00 73.05 C ATOM 161 CD2 TRP A 12 -7.974 -9.516 -12.737 1.00 41.42 C ATOM 162 NE1 TRP A 12 -8.660 -7.729 -11.573 1.00 4.11 N ATOM 163 CE2 TRP A 12 -9.041 -8.618 -12.542 1.00 35.24 C ATOM 164 CE3 TRP A 12 -8.113 -10.532 -13.686 1.00 40.33 C ATOM 165 CZ2 TRP A 12 -10.232 -8.710 -13.259 1.00 42.32 C ATOM 166 CZ3 TRP A 12 -9.294 -10.621 -14.398 1.00 31.34 C ATOM 167 CH2 TRP A 12 -10.341 -9.715 -14.182 1.00 44.03 C ATOM 0 H TRP A 12 -4.877 -7.454 -12.060 1.00 72.32 H new ATOM 0 HA TRP A 12 -5.154 -8.968 -9.751 1.00 3.31 H new ATOM 0 HB2 TRP A 12 -5.107 -9.846 -12.664 1.00 71.44 H new ATOM 0 HB3 TRP A 12 -5.732 -10.808 -11.339 1.00 71.44 H new ATOM 0 HD1 TRP A 12 -6.834 -7.504 -10.400 1.00 73.05 H new ATOM 0 HE1 TRP A 12 -9.228 -6.960 -11.217 1.00 4.11 H new ATOM 0 HE3 TRP A 12 -7.312 -11.235 -13.860 1.00 40.33 H new ATOM 0 HZ2 TRP A 12 -11.040 -8.013 -13.093 1.00 42.32 H new ATOM 0 HZ3 TRP A 12 -9.412 -11.403 -15.134 1.00 31.34 H new ATOM 0 HH2 TRP A 12 -11.251 -9.812 -14.755 1.00 44.03 H new ATOM 178 N GLY A 13 -2.439 -9.678 -11.469 1.00 71.22 N ATOM 179 CA GLY A 13 -1.174 -10.384 -11.389 1.00 42.02 C ATOM 180 C GLY A 13 -0.510 -10.234 -10.035 1.00 40.21 C ATOM 181 O GLY A 13 -0.382 -11.192 -9.273 1.00 54.21 O ATOM 0 H GLY A 13 -2.539 -9.068 -12.280 1.00 71.22 H new ATOM 0 HA2 GLY A 13 -1.338 -11.442 -11.594 1.00 42.02 H new ATOM 0 HA3 GLY A 13 -0.503 -10.010 -12.162 1.00 42.02 H new ATOM 185 N PRO A 14 -0.072 -9.007 -9.719 1.00 4.43 N ATOM 186 CA PRO A 14 0.591 -8.705 -8.447 1.00 22.31 C ATOM 187 C PRO A 14 -0.367 -8.774 -7.263 1.00 31.34 C ATOM 188 O PRO A 14 0.044 -9.032 -6.132 1.00 32.04 O ATOM 189 CB PRO A 14 1.100 -7.275 -8.641 1.00 13.02 C ATOM 190 CG PRO A 14 0.192 -6.686 -9.665 1.00 33.44 C ATOM 191 CD PRO A 14 -0.189 -7.817 -10.580 1.00 22.03 C ATOM 0 HA PRO A 14 1.378 -9.424 -8.218 1.00 22.31 H new ATOM 0 HB2 PRO A 14 1.064 -6.712 -7.709 1.00 13.02 H new ATOM 0 HB3 PRO A 14 2.136 -7.266 -8.979 1.00 13.02 H new ATOM 0 HG2 PRO A 14 -0.690 -6.247 -9.198 1.00 33.44 H new ATOM 0 HG3 PRO A 14 0.691 -5.889 -10.216 1.00 33.44 H new ATOM 0 HD2 PRO A 14 -1.202 -7.698 -10.966 1.00 22.03 H new ATOM 0 HD3 PRO A 14 0.475 -7.878 -11.442 1.00 22.03 H new ATOM 199 N CYS A 15 -1.648 -8.542 -7.531 1.00 62.23 N ATOM 200 CA CYS A 15 -2.667 -8.578 -6.489 1.00 3.44 C ATOM 201 C CYS A 15 -2.805 -9.983 -5.911 1.00 30.12 C ATOM 202 O CYS A 15 -3.058 -10.155 -4.718 1.00 73.25 O ATOM 203 CB CYS A 15 -4.012 -8.108 -7.044 1.00 74.34 C ATOM 204 SG CYS A 15 -5.346 -8.041 -5.806 1.00 62.22 S ATOM 0 H CYS A 15 -2.005 -8.327 -8.462 1.00 62.23 H new ATOM 0 HA CYS A 15 -2.357 -7.905 -5.690 1.00 3.44 H new ATOM 0 HB2 CYS A 15 -3.886 -7.117 -7.481 1.00 74.34 H new ATOM 0 HB3 CYS A 15 -4.313 -8.776 -7.851 1.00 74.34 H new ATOM 209 N LYS A 16 -2.638 -10.987 -6.765 1.00 64.42 N ATOM 210 CA LYS A 16 -2.742 -12.378 -6.343 1.00 3.12 C ATOM 211 C LYS A 16 -1.632 -12.732 -5.359 1.00 25.42 C ATOM 212 O LYS A 16 -1.863 -13.425 -4.367 1.00 50.24 O ATOM 213 CB LYS A 16 -2.678 -13.308 -7.556 1.00 71.40 C ATOM 214 CG LYS A 16 -3.612 -14.502 -7.458 1.00 31.03 C ATOM 215 CD LYS A 16 -3.066 -15.562 -6.516 1.00 10.24 C ATOM 216 CE LYS A 16 -1.795 -16.192 -7.064 1.00 12.14 C ATOM 217 NZ LYS A 16 -0.606 -15.858 -6.232 1.00 44.01 N1+ ATOM 0 H LYS A 16 -2.430 -10.862 -7.756 1.00 64.42 H new ATOM 0 HA LYS A 16 -3.702 -12.509 -5.844 1.00 3.12 H new ATOM 0 HB2 LYS A 16 -2.923 -12.739 -8.453 1.00 71.40 H new ATOM 0 HB3 LYS A 16 -1.655 -13.666 -7.675 1.00 71.40 H new ATOM 0 HG2 LYS A 16 -4.590 -14.172 -7.108 1.00 31.03 H new ATOM 0 HG3 LYS A 16 -3.757 -14.934 -8.448 1.00 31.03 H new ATOM 0 HD2 LYS A 16 -2.862 -15.115 -5.543 1.00 10.24 H new ATOM 0 HD3 LYS A 16 -3.819 -16.335 -6.360 1.00 10.24 H new ATOM 0 HE2 LYS A 16 -1.916 -17.274 -7.107 1.00 12.14 H new ATOM 0 HE3 LYS A 16 -1.631 -15.849 -8.086 1.00 12.14 H new ATOM 0 HZ1 LYS A 16 0.189 -16.472 -6.500 1.00 44.01 H new ATOM 0 HZ2 LYS A 16 -0.343 -14.864 -6.386 1.00 44.01 H new ATOM 0 HZ3 LYS A 16 -0.833 -16.005 -5.228 1.00 44.01 H new ATOM 231 N LYS A 17 -0.424 -12.253 -5.639 1.00 20.43 N ATOM 232 CA LYS A 17 0.723 -12.517 -4.778 1.00 52.42 C ATOM 233 C LYS A 17 0.442 -12.072 -3.346 1.00 3.52 C ATOM 234 O LYS A 17 0.616 -12.842 -2.402 1.00 41.22 O ATOM 235 CB LYS A 17 1.964 -11.798 -5.313 1.00 61.20 C ATOM 236 CG LYS A 17 3.269 -12.479 -4.940 1.00 31.15 C ATOM 237 CD LYS A 17 3.665 -13.527 -5.967 1.00 5.45 C ATOM 238 CE LYS A 17 4.802 -14.401 -5.461 1.00 32.53 C ATOM 239 NZ LYS A 17 5.138 -15.485 -6.424 1.00 63.43 N1+ ATOM 0 H LYS A 17 -0.214 -11.680 -6.456 1.00 20.43 H new ATOM 0 HA LYS A 17 0.905 -13.592 -4.777 1.00 52.42 H new ATOM 0 HB2 LYS A 17 1.896 -11.732 -6.399 1.00 61.20 H new ATOM 0 HB3 LYS A 17 1.975 -10.777 -4.932 1.00 61.20 H new ATOM 0 HG2 LYS A 17 4.059 -11.733 -4.857 1.00 31.15 H new ATOM 0 HG3 LYS A 17 3.169 -12.947 -3.961 1.00 31.15 H new ATOM 0 HD2 LYS A 17 2.803 -14.151 -6.203 1.00 5.45 H new ATOM 0 HD3 LYS A 17 3.966 -13.036 -6.892 1.00 5.45 H new ATOM 0 HE2 LYS A 17 5.684 -13.785 -5.286 1.00 32.53 H new ATOM 0 HE3 LYS A 17 4.524 -14.840 -4.503 1.00 32.53 H new ATOM 0 HZ1 LYS A 17 5.917 -16.059 -6.043 1.00 63.43 H new ATOM 0 HZ2 LYS A 17 4.304 -16.089 -6.572 1.00 63.43 H new ATOM 0 HZ3 LYS A 17 5.428 -15.066 -7.331 1.00 63.43 H new ATOM 253 N GLN A 18 0.006 -10.825 -3.194 1.00 3.42 N ATOM 254 CA GLN A 18 -0.299 -10.279 -1.877 1.00 74.11 C ATOM 255 C GLN A 18 -1.589 -10.876 -1.325 1.00 31.40 C ATOM 256 O GLN A 18 -1.655 -11.271 -0.160 1.00 41.21 O ATOM 257 CB GLN A 18 -0.419 -8.755 -1.948 1.00 50.14 C ATOM 258 CG GLN A 18 0.873 -8.027 -1.616 1.00 1.24 C ATOM 259 CD GLN A 18 0.638 -6.604 -1.147 1.00 33.51 C ATOM 260 OE1 GLN A 18 0.979 -5.647 -1.840 1.00 40.45 O ATOM 261 NE2 GLN A 18 0.050 -6.460 0.035 1.00 65.50 N ATOM 0 H GLN A 18 -0.144 -10.175 -3.966 1.00 3.42 H new ATOM 0 HA GLN A 18 0.518 -10.542 -1.205 1.00 74.11 H new ATOM 0 HB2 GLN A 18 -0.739 -8.470 -2.950 1.00 50.14 H new ATOM 0 HB3 GLN A 18 -1.198 -8.428 -1.259 1.00 50.14 H new ATOM 0 HG2 GLN A 18 1.407 -8.577 -0.841 1.00 1.24 H new ATOM 0 HG3 GLN A 18 1.515 -8.014 -2.497 1.00 1.24 H new ATOM 0 HE21 GLN A 18 -0.216 -7.283 0.576 1.00 65.50 H new ATOM 0 HE22 GLN A 18 -0.136 -5.527 0.402 1.00 65.50 H new ATOM 270 N THR A 19 -2.614 -10.941 -2.169 1.00 31.11 N ATOM 271 CA THR A 19 -3.902 -11.489 -1.766 1.00 55.23 C ATOM 272 C THR A 19 -4.482 -12.388 -2.853 1.00 11.43 C ATOM 273 O THR A 19 -4.726 -11.945 -3.975 1.00 51.24 O ATOM 274 CB THR A 19 -4.914 -10.372 -1.447 1.00 50.44 C ATOM 275 OG1 THR A 19 -5.319 -9.718 -2.655 1.00 72.12 O ATOM 276 CG2 THR A 19 -4.311 -9.353 -0.491 1.00 74.11 C ATOM 0 H THR A 19 -2.576 -10.620 -3.137 1.00 31.11 H new ATOM 0 HA THR A 19 -3.726 -12.078 -0.866 1.00 55.23 H new ATOM 0 HB THR A 19 -5.783 -10.825 -0.970 1.00 50.44 H new ATOM 0 HG1 THR A 19 -4.981 -10.218 -3.427 1.00 72.12 H new ATOM 0 HG21 THR A 19 -5.044 -8.574 -0.280 1.00 74.11 H new ATOM 0 HG22 THR A 19 -4.030 -9.848 0.439 1.00 74.11 H new ATOM 0 HG23 THR A 19 -3.427 -8.906 -0.946 1.00 74.11 H new ATOM 284 N THR A 20 -4.702 -13.654 -2.512 1.00 61.13 N ATOM 285 CA THR A 20 -5.253 -14.616 -3.459 1.00 1.13 C ATOM 286 C THR A 20 -6.411 -14.012 -4.245 1.00 5.33 C ATOM 287 O THR A 20 -6.595 -14.310 -5.426 1.00 5.34 O ATOM 288 CB THR A 20 -5.741 -15.890 -2.744 1.00 61.25 C ATOM 289 OG1 THR A 20 -6.741 -15.556 -1.776 1.00 10.11 O ATOM 290 CG2 THR A 20 -4.585 -16.605 -2.062 1.00 3.31 C ATOM 0 H THR A 20 -4.507 -14.037 -1.587 1.00 61.13 H new ATOM 0 HA THR A 20 -4.450 -14.879 -4.147 1.00 1.13 H new ATOM 0 HB THR A 20 -6.169 -16.558 -3.491 1.00 61.25 H new ATOM 0 HG1 THR A 20 -7.047 -16.372 -1.327 1.00 10.11 H new ATOM 0 HG21 THR A 20 -4.955 -17.501 -1.564 1.00 3.31 H new ATOM 0 HG22 THR A 20 -3.840 -16.885 -2.807 1.00 3.31 H new ATOM 0 HG23 THR A 20 -4.131 -15.942 -1.326 1.00 3.31 H new ATOM 298 N CYS A 21 -7.189 -13.162 -3.583 1.00 64.14 N ATOM 299 CA CYS A 21 -8.330 -12.515 -4.221 1.00 5.11 C ATOM 300 C CYS A 21 -7.868 -11.483 -5.246 1.00 40.40 C ATOM 301 O CYS A 21 -7.521 -10.354 -4.895 1.00 21.12 O ATOM 302 CB CYS A 21 -9.215 -11.844 -3.169 1.00 1.52 C ATOM 303 SG CYS A 21 -10.325 -12.991 -2.290 1.00 50.33 S ATOM 0 H CYS A 21 -7.050 -12.905 -2.606 1.00 64.14 H new ATOM 0 HA CYS A 21 -8.908 -13.281 -4.738 1.00 5.11 H new ATOM 0 HB2 CYS A 21 -8.578 -11.342 -2.441 1.00 1.52 H new ATOM 0 HB3 CYS A 21 -9.815 -11.073 -3.653 1.00 1.52 H new ATOM 308 N THR A 22 -7.865 -11.878 -6.515 1.00 14.00 N ATOM 309 CA THR A 22 -7.446 -10.990 -7.591 1.00 51.41 C ATOM 310 C THR A 22 -8.417 -9.827 -7.754 1.00 53.53 C ATOM 311 O THR A 22 -8.052 -8.766 -8.259 1.00 3.31 O ATOM 312 CB THR A 22 -7.334 -11.742 -8.930 1.00 73.14 C ATOM 313 OG1 THR A 22 -8.326 -12.773 -8.997 1.00 3.21 O ATOM 314 CG2 THR A 22 -5.950 -12.352 -9.095 1.00 14.31 C ATOM 0 H THR A 22 -8.148 -12.808 -6.823 1.00 14.00 H new ATOM 0 HA THR A 22 -6.464 -10.604 -7.317 1.00 51.41 H new ATOM 0 HB THR A 22 -7.497 -11.028 -9.737 1.00 73.14 H new ATOM 0 HG1 THR A 22 -8.249 -13.246 -9.852 1.00 3.21 H new ATOM 0 HG21 THR A 22 -5.895 -12.878 -10.048 1.00 14.31 H new ATOM 0 HG22 THR A 22 -5.199 -11.562 -9.073 1.00 14.31 H new ATOM 0 HG23 THR A 22 -5.762 -13.054 -8.282 1.00 14.31 H new ATOM 322 N ASN A 23 -9.658 -10.033 -7.325 1.00 53.41 N ATOM 323 CA ASN A 23 -10.683 -9.000 -7.424 1.00 34.21 C ATOM 324 C ASN A 23 -10.163 -7.665 -6.901 1.00 20.55 C ATOM 325 O ASN A 23 -10.042 -7.465 -5.692 1.00 5.23 O ATOM 326 CB ASN A 23 -11.932 -9.416 -6.642 1.00 61.22 C ATOM 327 CG ASN A 23 -13.200 -8.810 -7.214 1.00 4.53 C ATOM 328 OD1 ASN A 23 -13.704 -9.256 -8.244 1.00 12.23 O ATOM 329 ND2 ASN A 23 -13.719 -7.787 -6.544 1.00 73.14 N ATOM 0 H ASN A 23 -9.978 -10.906 -6.905 1.00 53.41 H new ATOM 0 HA ASN A 23 -10.943 -8.881 -8.476 1.00 34.21 H new ATOM 0 HB2 ASN A 23 -12.017 -10.503 -6.649 1.00 61.22 H new ATOM 0 HB3 ASN A 23 -11.824 -9.111 -5.601 1.00 61.22 H new ATOM 0 HD21 ASN A 23 -14.571 -7.337 -6.879 1.00 73.14 H new ATOM 0 HD22 ASN A 23 -13.266 -7.451 -5.694 1.00 73.14 H new ATOM 336 N SER A 24 -9.857 -6.755 -7.818 1.00 54.05 N ATOM 337 CA SER A 24 -9.346 -5.439 -7.451 1.00 34.31 C ATOM 338 C SER A 24 -9.765 -4.389 -8.475 1.00 44.51 C ATOM 339 O SER A 24 -10.381 -4.706 -9.492 1.00 53.52 O ATOM 340 CB SER A 24 -7.821 -5.475 -7.333 1.00 75.00 C ATOM 341 OG SER A 24 -7.320 -4.246 -6.838 1.00 22.34 O ATOM 0 H SER A 24 -9.954 -6.904 -8.822 1.00 54.05 H new ATOM 0 HA SER A 24 -9.771 -5.168 -6.485 1.00 34.31 H new ATOM 0 HB2 SER A 24 -7.523 -6.287 -6.669 1.00 75.00 H new ATOM 0 HB3 SER A 24 -7.382 -5.684 -8.309 1.00 75.00 H new ATOM 0 HG SER A 24 -7.941 -3.884 -6.172 1.00 22.34 H new ATOM 347 N LYS A 25 -9.424 -3.134 -8.199 1.00 3.11 N ATOM 348 CA LYS A 25 -9.761 -2.034 -9.095 1.00 42.00 C ATOM 349 C LYS A 25 -8.575 -1.092 -9.271 1.00 25.42 C ATOM 350 O LYS A 25 -8.107 -0.479 -8.310 1.00 61.41 O ATOM 351 CB LYS A 25 -10.965 -1.260 -8.553 1.00 42.44 C ATOM 352 CG LYS A 25 -12.302 -1.812 -9.015 1.00 20.30 C ATOM 353 CD LYS A 25 -12.736 -1.194 -10.333 1.00 61.22 C ATOM 354 CE LYS A 25 -12.237 -2.004 -11.520 1.00 34.25 C ATOM 355 NZ LYS A 25 -13.086 -1.799 -12.727 1.00 70.51 N1+ ATOM 0 H LYS A 25 -8.914 -2.854 -7.361 1.00 3.11 H new ATOM 0 HA LYS A 25 -10.014 -2.455 -10.068 1.00 42.00 H new ATOM 0 HB2 LYS A 25 -10.933 -1.272 -7.464 1.00 42.44 H new ATOM 0 HB3 LYS A 25 -10.885 -0.218 -8.862 1.00 42.44 H new ATOM 0 HG2 LYS A 25 -12.231 -2.894 -9.126 1.00 20.30 H new ATOM 0 HG3 LYS A 25 -13.059 -1.618 -8.255 1.00 20.30 H new ATOM 0 HD2 LYS A 25 -13.824 -1.131 -10.366 1.00 61.22 H new ATOM 0 HD3 LYS A 25 -12.355 -0.175 -10.401 1.00 61.22 H new ATOM 0 HE2 LYS A 25 -11.209 -1.721 -11.747 1.00 34.25 H new ATOM 0 HE3 LYS A 25 -12.226 -3.062 -11.259 1.00 34.25 H new ATOM 0 HZ1 LYS A 25 -12.714 -2.368 -13.514 1.00 70.51 H new ATOM 0 HZ2 LYS A 25 -14.062 -2.093 -12.519 1.00 70.51 H new ATOM 0 HZ3 LYS A 25 -13.076 -0.793 -12.992 1.00 70.51 H new ATOM 369 N CYS A 26 -8.091 -0.980 -10.504 1.00 32.25 N ATOM 370 CA CYS A 26 -6.960 -0.113 -10.806 1.00 41.13 C ATOM 371 C CYS A 26 -7.426 1.315 -11.075 1.00 2.13 C ATOM 372 O CYS A 26 -7.945 1.618 -12.149 1.00 2.40 O ATOM 373 CB CYS A 26 -6.191 -0.646 -12.017 1.00 14.14 C ATOM 374 SG CYS A 26 -4.441 -0.144 -12.066 1.00 22.13 S ATOM 0 H CYS A 26 -8.466 -1.480 -11.310 1.00 32.25 H new ATOM 0 HA CYS A 26 -6.299 -0.104 -9.939 1.00 41.13 H new ATOM 0 HB2 CYS A 26 -6.246 -1.735 -12.018 1.00 14.14 H new ATOM 0 HB3 CYS A 26 -6.682 -0.301 -12.927 1.00 14.14 H new ATOM 379 N MET A 27 -7.236 2.188 -10.091 1.00 14.44 N ATOM 380 CA MET A 27 -7.636 3.585 -10.222 1.00 2.23 C ATOM 381 C MET A 27 -6.453 4.515 -9.969 1.00 31.21 C ATOM 382 O MET A 27 -5.641 4.272 -9.078 1.00 4.41 O ATOM 383 CB MET A 27 -8.770 3.906 -9.246 1.00 42.02 C ATOM 384 CG MET A 27 -8.392 3.705 -7.787 1.00 64.14 C ATOM 385 SD MET A 27 -7.762 5.209 -7.019 1.00 13.43 S ATOM 386 CE MET A 27 -7.577 4.671 -5.321 1.00 12.31 C ATOM 0 H MET A 27 -6.808 1.954 -9.195 1.00 14.44 H new ATOM 0 HA MET A 27 -7.988 3.743 -11.242 1.00 2.23 H new ATOM 0 HB2 MET A 27 -9.083 4.940 -9.393 1.00 42.02 H new ATOM 0 HB3 MET A 27 -9.629 3.277 -9.480 1.00 42.02 H new ATOM 0 HG2 MET A 27 -9.265 3.358 -7.234 1.00 64.14 H new ATOM 0 HG3 MET A 27 -7.637 2.922 -7.716 1.00 64.14 H new ATOM 0 HE1 MET A 27 -7.194 5.494 -4.718 1.00 12.31 H new ATOM 0 HE2 MET A 27 -8.545 4.356 -4.932 1.00 12.31 H new ATOM 0 HE3 MET A 27 -6.879 3.835 -5.278 1.00 12.31 H new ATOM 396 N ASN A 28 -6.363 5.578 -10.760 1.00 52.54 N ATOM 397 CA ASN A 28 -5.280 6.544 -10.623 1.00 2.02 C ATOM 398 C ASN A 28 -3.923 5.868 -10.799 1.00 30.13 C ATOM 399 O ASN A 28 -2.959 6.195 -10.108 1.00 54.41 O ATOM 400 CB ASN A 28 -5.347 7.227 -9.256 1.00 14.20 C ATOM 401 CG ASN A 28 -6.374 8.344 -9.218 1.00 24.05 C ATOM 402 OD1 ASN A 28 -6.981 8.678 -10.234 1.00 41.04 O ATOM 403 ND2 ASN A 28 -6.570 8.926 -8.040 1.00 74.35 N ATOM 0 H ASN A 28 -7.028 5.793 -11.503 1.00 52.54 H new ATOM 0 HA ASN A 28 -5.397 7.296 -11.404 1.00 2.02 H new ATOM 0 HB2 ASN A 28 -5.591 6.486 -8.494 1.00 14.20 H new ATOM 0 HB3 ASN A 28 -4.366 7.630 -9.006 1.00 14.20 H new ATOM 0 HD21 ASN A 28 -7.247 9.683 -7.952 1.00 74.35 H new ATOM 0 HD22 ASN A 28 -6.043 8.615 -7.224 1.00 74.35 H new ATOM 410 N GLY A 29 -3.856 4.922 -11.730 1.00 74.33 N ATOM 411 CA GLY A 29 -2.614 4.214 -11.981 1.00 71.42 C ATOM 412 C GLY A 29 -2.108 3.480 -10.755 1.00 42.04 C ATOM 413 O GLY A 29 -0.907 3.245 -10.615 1.00 24.02 O ATOM 0 H GLY A 29 -4.640 4.633 -12.315 1.00 74.33 H new ATOM 0 HA2 GLY A 29 -2.763 3.501 -12.792 1.00 71.42 H new ATOM 0 HA3 GLY A 29 -1.856 4.923 -12.315 1.00 71.42 H new ATOM 417 N LYS A 30 -3.024 3.117 -9.864 1.00 63.53 N ATOM 418 CA LYS A 30 -2.665 2.405 -8.643 1.00 43.44 C ATOM 419 C LYS A 30 -3.546 1.175 -8.451 1.00 71.13 C ATOM 420 O LYS A 30 -4.699 1.151 -8.883 1.00 11.40 O ATOM 421 CB LYS A 30 -2.793 3.332 -7.433 1.00 33.24 C ATOM 422 CG LYS A 30 -1.959 4.596 -7.543 1.00 74.01 C ATOM 423 CD LYS A 30 -1.241 4.907 -6.241 1.00 25.24 C ATOM 424 CE LYS A 30 -0.276 6.071 -6.400 1.00 11.40 C ATOM 425 NZ LYS A 30 1.057 5.773 -5.807 1.00 10.43 N1+ ATOM 0 H LYS A 30 -4.022 3.304 -9.965 1.00 63.53 H new ATOM 0 HA LYS A 30 -1.630 2.077 -8.734 1.00 43.44 H new ATOM 0 HB2 LYS A 30 -3.840 3.608 -7.307 1.00 33.24 H new ATOM 0 HB3 LYS A 30 -2.496 2.788 -6.536 1.00 33.24 H new ATOM 0 HG2 LYS A 30 -1.228 4.482 -8.344 1.00 74.01 H new ATOM 0 HG3 LYS A 30 -2.601 5.434 -7.814 1.00 74.01 H new ATOM 0 HD2 LYS A 30 -1.973 5.143 -5.468 1.00 25.24 H new ATOM 0 HD3 LYS A 30 -0.696 4.025 -5.905 1.00 25.24 H new ATOM 0 HE2 LYS A 30 -0.159 6.303 -7.459 1.00 11.40 H new ATOM 0 HE3 LYS A 30 -0.695 6.957 -5.924 1.00 11.40 H new ATOM 0 HZ1 LYS A 30 1.685 6.592 -5.936 1.00 10.43 H new ATOM 0 HZ2 LYS A 30 0.949 5.576 -4.791 1.00 10.43 H new ATOM 0 HZ3 LYS A 30 1.469 4.943 -6.278 1.00 10.43 H new ATOM 439 N CYS A 31 -2.997 0.154 -7.801 1.00 43.43 N ATOM 440 CA CYS A 31 -3.733 -1.079 -7.551 1.00 4.11 C ATOM 441 C CYS A 31 -4.201 -1.148 -6.100 1.00 40.43 C ATOM 442 O CYS A 31 -3.402 -1.024 -5.171 1.00 21.25 O ATOM 443 CB CYS A 31 -2.859 -2.293 -7.874 1.00 55.25 C ATOM 444 SG CYS A 31 -3.603 -3.888 -7.406 1.00 65.24 S ATOM 0 H CYS A 31 -2.044 0.157 -7.438 1.00 43.43 H new ATOM 0 HA CYS A 31 -4.610 -1.087 -8.198 1.00 4.11 H new ATOM 0 HB2 CYS A 31 -2.649 -2.302 -8.943 1.00 55.25 H new ATOM 0 HB3 CYS A 31 -1.903 -2.186 -7.362 1.00 55.25 H new ATOM 449 N LYS A 32 -5.501 -1.345 -5.913 1.00 74.21 N ATOM 450 CA LYS A 32 -6.078 -1.432 -4.576 1.00 53.14 C ATOM 451 C LYS A 32 -6.874 -2.723 -4.410 1.00 52.43 C ATOM 452 O LYS A 32 -8.038 -2.802 -4.807 1.00 3.45 O ATOM 453 CB LYS A 32 -6.980 -0.225 -4.308 1.00 62.41 C ATOM 454 CG LYS A 32 -7.802 -0.351 -3.037 1.00 24.11 C ATOM 455 CD LYS A 32 -6.918 -0.589 -1.823 1.00 63.34 C ATOM 456 CE LYS A 32 -5.952 0.565 -1.602 1.00 71.20 C ATOM 457 NZ LYS A 32 -6.666 1.859 -1.421 1.00 24.04 N1+ ATOM 0 H LYS A 32 -6.176 -1.448 -6.671 1.00 74.21 H new ATOM 0 HA LYS A 32 -5.261 -1.434 -3.854 1.00 53.14 H new ATOM 0 HB2 LYS A 32 -6.364 0.672 -4.245 1.00 62.41 H new ATOM 0 HB3 LYS A 32 -7.653 -0.090 -5.154 1.00 62.41 H new ATOM 0 HG2 LYS A 32 -8.388 0.556 -2.890 1.00 24.11 H new ATOM 0 HG3 LYS A 32 -8.510 -1.174 -3.140 1.00 24.11 H new ATOM 0 HD2 LYS A 32 -7.541 -0.718 -0.938 1.00 63.34 H new ATOM 0 HD3 LYS A 32 -6.357 -1.514 -1.956 1.00 63.34 H new ATOM 0 HE2 LYS A 32 -5.339 0.362 -0.724 1.00 71.20 H new ATOM 0 HE3 LYS A 32 -5.275 0.640 -2.453 1.00 71.20 H new ATOM 0 HZ1 LYS A 32 -6.003 2.574 -1.058 1.00 24.04 H new ATOM 0 HZ2 LYS A 32 -7.049 2.175 -2.335 1.00 24.04 H new ATOM 0 HZ3 LYS A 32 -7.445 1.734 -0.743 1.00 24.04 H new ATOM 471 N CYS A 33 -6.241 -3.732 -3.822 1.00 32.12 N ATOM 472 CA CYS A 33 -6.891 -5.018 -3.602 1.00 63.03 C ATOM 473 C CYS A 33 -8.098 -4.868 -2.682 1.00 61.42 C ATOM 474 O CYS A 33 -8.074 -4.085 -1.733 1.00 15.41 O ATOM 475 CB CYS A 33 -5.899 -6.017 -3.003 1.00 75.43 C ATOM 476 SG CYS A 33 -4.828 -6.831 -4.231 1.00 63.24 S ATOM 0 H CYS A 33 -5.278 -3.684 -3.489 1.00 32.12 H new ATOM 0 HA CYS A 33 -7.237 -5.392 -4.566 1.00 63.03 H new ATOM 0 HB2 CYS A 33 -5.272 -5.499 -2.277 1.00 75.43 H new ATOM 0 HB3 CYS A 33 -6.454 -6.781 -2.458 1.00 75.43 H new ATOM 481 N TYR A 34 -9.151 -5.626 -2.970 1.00 11.34 N ATOM 482 CA TYR A 34 -10.369 -5.576 -2.169 1.00 13.21 C ATOM 483 C TYR A 34 -10.298 -6.560 -1.006 1.00 65.13 C ATOM 484 O TYR A 34 -10.797 -6.288 0.085 1.00 3.32 O ATOM 485 CB TYR A 34 -11.588 -5.885 -3.039 1.00 53.31 C ATOM 486 CG TYR A 34 -12.090 -4.693 -3.824 1.00 31.41 C ATOM 487 CD1 TYR A 34 -12.310 -4.782 -5.192 1.00 74.15 C ATOM 488 CD2 TYR A 34 -12.343 -3.480 -3.197 1.00 73.21 C ATOM 489 CE1 TYR A 34 -12.769 -3.696 -5.915 1.00 23.02 C ATOM 490 CE2 TYR A 34 -12.802 -2.389 -3.910 1.00 71.21 C ATOM 491 CZ TYR A 34 -13.013 -2.502 -5.268 1.00 70.55 C ATOM 492 OH TYR A 34 -13.469 -1.419 -5.982 1.00 44.45 O ATOM 0 H TYR A 34 -9.186 -6.281 -3.751 1.00 11.34 H new ATOM 0 HA TYR A 34 -10.465 -4.569 -1.763 1.00 13.21 H new ATOM 0 HB2 TYR A 34 -11.335 -6.686 -3.733 1.00 53.31 H new ATOM 0 HB3 TYR A 34 -12.392 -6.256 -2.404 1.00 53.31 H new ATOM 0 HD1 TYR A 34 -12.119 -5.716 -5.700 1.00 74.15 H new ATOM 0 HD2 TYR A 34 -12.178 -3.388 -2.134 1.00 73.21 H new ATOM 0 HE1 TYR A 34 -12.935 -3.782 -6.979 1.00 23.02 H new ATOM 0 HE2 TYR A 34 -12.994 -1.453 -3.407 1.00 71.21 H new ATOM 0 HH TYR A 34 -13.591 -0.657 -5.378 1.00 44.45 H new ATOM 502 N GLY A 35 -9.670 -7.707 -1.248 1.00 60.11 N ATOM 503 CA GLY A 35 -9.543 -8.715 -0.212 1.00 31.44 C ATOM 504 C GLY A 35 -10.815 -9.520 -0.027 1.00 22.31 C ATOM 505 O GLY A 35 -11.919 -8.990 -0.157 1.00 24.14 O ATOM 0 H GLY A 35 -9.247 -7.956 -2.142 1.00 60.11 H new ATOM 0 HA2 GLY A 35 -8.724 -9.389 -0.463 1.00 31.44 H new ATOM 0 HA3 GLY A 35 -9.282 -8.233 0.730 1.00 31.44 H new ATOM 509 N CYS A 36 -10.660 -10.805 0.275 1.00 75.53 N ATOM 510 CA CYS A 36 -11.805 -11.686 0.476 1.00 65.11 C ATOM 511 C CYS A 36 -12.697 -11.171 1.602 1.00 41.33 C ATOM 512 O CYS A 36 -12.275 -11.088 2.754 1.00 10.24 O ATOM 513 CB CYS A 36 -11.332 -13.107 0.795 1.00 42.43 C ATOM 514 SG CYS A 36 -10.220 -13.819 -0.460 1.00 34.34 S ATOM 0 H CYS A 36 -9.753 -11.259 0.386 1.00 75.53 H new ATOM 0 HA CYS A 36 -12.386 -11.701 -0.446 1.00 65.11 H new ATOM 0 HB2 CYS A 36 -10.820 -13.101 1.757 1.00 42.43 H new ATOM 0 HB3 CYS A 36 -12.203 -13.753 0.902 1.00 42.43 H new ATOM 519 N VAL A 37 -13.934 -10.827 1.258 1.00 53.23 N ATOM 520 CA VAL A 37 -14.888 -10.321 2.238 1.00 44.41 C ATOM 521 C VAL A 37 -16.092 -11.246 2.361 1.00 14.31 C ATOM 522 O VAL A 37 -16.601 -11.478 3.457 1.00 1.24 O ATOM 523 CB VAL A 37 -15.375 -8.907 1.869 1.00 11.13 C ATOM 524 CG1 VAL A 37 -14.209 -7.929 1.844 1.00 21.55 C ATOM 525 CG2 VAL A 37 -16.094 -8.924 0.529 1.00 35.32 C ATOM 0 H VAL A 37 -14.299 -10.890 0.308 1.00 53.23 H new ATOM 0 HA VAL A 37 -14.367 -10.279 3.195 1.00 44.41 H new ATOM 0 HB VAL A 37 -16.081 -8.575 2.631 1.00 11.13 H new ATOM 0 HG11 VAL A 37 -14.573 -6.936 1.581 1.00 21.55 H new ATOM 0 HG12 VAL A 37 -13.741 -7.896 2.828 1.00 21.55 H new ATOM 0 HG13 VAL A 37 -13.477 -8.254 1.105 1.00 21.55 H new ATOM 0 HG21 VAL A 37 -16.431 -7.917 0.284 1.00 35.32 H new ATOM 0 HG22 VAL A 37 -15.413 -9.277 -0.245 1.00 35.32 H new ATOM 0 HG23 VAL A 37 -16.954 -9.591 0.586 1.00 35.32 H new TER 535 VAL A 37