USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 272 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 15 MET CE :methyl -121:sc= -3.04! (180deg=-5.34!) USER MOD Single : A 21 THR OG1 : rot -96:sc= -3.31! USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.4!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.149 -0.173 13.926 1.00 0.00 N ATOM 2 CA MET A 1 -11.040 0.966 13.564 1.00 0.00 C ATOM 3 C MET A 1 -10.347 2.288 13.906 1.00 0.00 C ATOM 4 O MET A 1 -10.022 2.553 15.046 1.00 0.00 O ATOM 5 CB MET A 1 -12.348 0.857 14.352 1.00 0.00 C ATOM 6 CG MET A 1 -13.416 1.732 13.692 1.00 0.00 C ATOM 7 SD MET A 1 -14.469 0.705 12.638 1.00 0.00 S ATOM 8 CE MET A 1 -16.005 0.925 13.570 1.00 0.00 C ATOM 0 H1 MET A 1 -10.621 -1.070 13.693 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.259 -0.101 13.392 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.945 -0.144 14.945 1.00 0.00 H new ATOM 0 HA MET A 1 -11.253 0.935 12.496 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.681 -0.180 14.383 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.191 1.172 15.384 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.018 2.227 14.454 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.944 2.516 13.100 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.807 0.366 13.088 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.869 0.559 14.588 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.266 1.983 13.597 1.00 0.00 H new ATOM 20 N SER A 2 -10.119 3.119 12.925 1.00 0.00 N ATOM 21 CA SER A 2 -9.448 4.423 13.191 1.00 0.00 C ATOM 22 C SER A 2 -10.459 5.560 13.040 1.00 0.00 C ATOM 23 O SER A 2 -10.898 6.147 14.009 1.00 0.00 O ATOM 24 CB SER A 2 -8.307 4.620 12.192 1.00 0.00 C ATOM 25 OG SER A 2 -7.341 3.592 12.373 1.00 0.00 O ATOM 0 H SER A 2 -10.369 2.951 11.950 1.00 0.00 H new ATOM 0 HA SER A 2 -9.050 4.426 14.206 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.693 4.597 11.173 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.846 5.597 12.337 1.00 0.00 H new ATOM 0 HG SER A 2 -6.609 3.714 11.733 1.00 0.00 H new ATOM 31 N TRP A 3 -10.832 5.878 11.830 1.00 0.00 N ATOM 32 CA TRP A 3 -11.814 6.980 11.617 1.00 0.00 C ATOM 33 C TRP A 3 -12.682 6.659 10.396 1.00 0.00 C ATOM 34 O TRP A 3 -12.693 5.548 9.905 1.00 0.00 O ATOM 35 CB TRP A 3 -11.060 8.290 11.373 1.00 0.00 C ATOM 36 CG TRP A 3 -11.148 9.156 12.589 1.00 0.00 C ATOM 37 CD1 TRP A 3 -10.139 9.372 13.465 1.00 0.00 C ATOM 38 CD2 TRP A 3 -12.285 9.927 13.076 1.00 0.00 C ATOM 39 NE1 TRP A 3 -10.585 10.226 14.458 1.00 0.00 N ATOM 40 CE2 TRP A 3 -11.901 10.594 14.263 1.00 0.00 C ATOM 41 CE3 TRP A 3 -13.599 10.109 12.609 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -12.788 11.415 14.961 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -14.495 10.934 13.309 1.00 0.00 C ATOM 44 CH2 TRP A 3 -14.090 11.585 14.483 1.00 0.00 C ATOM 0 H TRP A 3 -10.499 5.423 10.980 1.00 0.00 H new ATOM 0 HA TRP A 3 -12.447 7.081 12.498 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -10.016 8.082 11.138 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -11.483 8.810 10.513 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -9.148 8.947 13.400 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -10.011 10.545 15.239 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -13.921 9.611 11.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -12.470 11.915 15.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -15.501 11.068 12.941 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -14.784 12.217 15.017 1.00 0.00 H new ATOM 55 N ALA A 4 -13.406 7.626 9.898 1.00 0.00 N ATOM 56 CA ALA A 4 -14.266 7.377 8.706 1.00 0.00 C ATOM 57 C ALA A 4 -13.543 7.876 7.455 1.00 0.00 C ATOM 58 O ALA A 4 -12.912 7.117 6.747 1.00 0.00 O ATOM 59 CB ALA A 4 -15.589 8.128 8.865 1.00 0.00 C ATOM 0 H ALA A 4 -13.439 8.577 10.265 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.466 6.310 8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -16.218 7.946 7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.101 7.778 9.761 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.392 9.196 8.954 1.00 0.00 H new ATOM 65 N LEU A 5 -13.622 9.149 7.182 1.00 0.00 N ATOM 66 CA LEU A 5 -12.930 9.693 5.982 1.00 0.00 C ATOM 67 C LEU A 5 -11.426 9.450 6.121 1.00 0.00 C ATOM 68 O LEU A 5 -10.727 9.247 5.148 1.00 0.00 O ATOM 69 CB LEU A 5 -13.199 11.196 5.872 1.00 0.00 C ATOM 70 CG LEU A 5 -12.904 11.868 7.215 1.00 0.00 C ATOM 71 CD1 LEU A 5 -11.548 12.574 7.145 1.00 0.00 C ATOM 72 CD2 LEU A 5 -13.996 12.895 7.521 1.00 0.00 C ATOM 0 H LEU A 5 -14.135 9.834 7.737 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.302 9.196 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.576 11.631 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.236 11.370 5.586 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.882 11.114 8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -11.337 13.053 8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.769 11.844 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.571 13.328 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -13.787 13.374 8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.017 13.649 6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.963 12.394 7.570 1.00 0.00 H new ATOM 84 N GLU A 6 -10.927 9.463 7.326 1.00 0.00 N ATOM 85 CA GLU A 6 -9.471 9.228 7.537 1.00 0.00 C ATOM 86 C GLU A 6 -9.093 7.853 6.982 1.00 0.00 C ATOM 87 O GLU A 6 -8.133 7.708 6.253 1.00 0.00 O ATOM 88 CB GLU A 6 -9.162 9.277 9.035 1.00 0.00 C ATOM 89 CG GLU A 6 -7.876 10.071 9.268 1.00 0.00 C ATOM 90 CD GLU A 6 -7.396 9.852 10.703 1.00 0.00 C ATOM 91 OE1 GLU A 6 -8.236 9.784 11.585 1.00 0.00 O ATOM 92 OE2 GLU A 6 -6.195 9.754 10.897 1.00 0.00 O ATOM 0 H GLU A 6 -11.466 9.627 8.176 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.897 9.998 7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.990 9.740 9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.053 8.266 9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.107 9.754 8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.053 11.132 9.090 1.00 0.00 H new ATOM 99 N MET A 7 -9.844 6.842 7.325 1.00 0.00 N ATOM 100 CA MET A 7 -9.532 5.475 6.819 1.00 0.00 C ATOM 101 C MET A 7 -9.739 5.434 5.304 1.00 0.00 C ATOM 102 O MET A 7 -8.912 4.933 4.567 1.00 0.00 O ATOM 103 CB MET A 7 -10.463 4.462 7.488 1.00 0.00 C ATOM 104 CG MET A 7 -9.633 3.456 8.287 1.00 0.00 C ATOM 105 SD MET A 7 -10.720 2.173 8.955 1.00 0.00 S ATOM 106 CE MET A 7 -10.223 0.849 7.827 1.00 0.00 C ATOM 0 H MET A 7 -10.660 6.904 7.934 1.00 0.00 H new ATOM 0 HA MET A 7 -8.496 5.227 7.051 1.00 0.00 H new ATOM 0 HB2 MET A 7 -11.164 4.976 8.146 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.055 3.943 6.734 1.00 0.00 H new ATOM 0 HG2 MET A 7 -8.872 3.007 7.648 1.00 0.00 H new ATOM 0 HG3 MET A 7 -9.110 3.963 9.098 1.00 0.00 H new ATOM 0 HE1 MET A 7 -10.780 -0.058 8.062 1.00 0.00 H new ATOM 0 HE2 MET A 7 -10.433 1.148 6.800 1.00 0.00 H new ATOM 0 HE3 MET A 7 -9.156 0.658 7.938 1.00 0.00 H new ATOM 116 N ALA A 8 -10.838 5.956 4.833 1.00 0.00 N ATOM 117 CA ALA A 8 -11.101 5.949 3.367 1.00 0.00 C ATOM 118 C ALA A 8 -9.910 6.566 2.628 1.00 0.00 C ATOM 119 O ALA A 8 -9.610 6.204 1.508 1.00 0.00 O ATOM 120 CB ALA A 8 -12.361 6.762 3.068 1.00 0.00 C ATOM 0 H ALA A 8 -11.566 6.388 5.402 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.243 4.922 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.552 6.756 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.210 6.322 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.220 7.789 3.405 1.00 0.00 H new ATOM 126 N ASP A 9 -9.234 7.499 3.241 1.00 0.00 N ATOM 127 CA ASP A 9 -8.070 8.142 2.568 1.00 0.00 C ATOM 128 C ASP A 9 -6.926 7.133 2.434 1.00 0.00 C ATOM 129 O ASP A 9 -6.665 6.613 1.365 1.00 0.00 O ATOM 130 CB ASP A 9 -7.600 9.338 3.400 1.00 0.00 C ATOM 131 CG ASP A 9 -8.775 10.290 3.633 1.00 0.00 C ATOM 132 OD1 ASP A 9 -9.597 10.415 2.740 1.00 0.00 O ATOM 133 OD2 ASP A 9 -8.833 10.877 4.700 1.00 0.00 O ATOM 0 H ASP A 9 -9.438 7.844 4.179 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.369 8.480 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.200 8.996 4.355 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.793 9.859 2.885 1.00 0.00 H new ATOM 138 N THR A 10 -6.237 6.853 3.507 1.00 0.00 N ATOM 139 CA THR A 10 -5.109 5.881 3.436 1.00 0.00 C ATOM 140 C THR A 10 -5.531 4.667 2.608 1.00 0.00 C ATOM 141 O THR A 10 -4.713 3.995 2.011 1.00 0.00 O ATOM 142 CB THR A 10 -4.735 5.428 4.849 1.00 0.00 C ATOM 143 OG1 THR A 10 -3.867 4.306 4.767 1.00 0.00 O ATOM 144 CG2 THR A 10 -6.000 5.042 5.616 1.00 0.00 C ATOM 0 H THR A 10 -6.406 7.255 4.429 1.00 0.00 H new ATOM 0 HA THR A 10 -4.249 6.359 2.967 1.00 0.00 H new ATOM 0 HB THR A 10 -4.232 6.242 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.624 4.014 5.670 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.731 4.720 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.666 5.903 5.676 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.506 4.228 5.097 1.00 0.00 H new ATOM 152 N PHE A 11 -6.803 4.379 2.565 1.00 0.00 N ATOM 153 CA PHE A 11 -7.276 3.207 1.776 1.00 0.00 C ATOM 154 C PHE A 11 -7.136 3.508 0.283 1.00 0.00 C ATOM 155 O PHE A 11 -6.574 2.735 -0.467 1.00 0.00 O ATOM 156 CB PHE A 11 -8.745 2.935 2.103 1.00 0.00 C ATOM 157 CG PHE A 11 -8.945 1.456 2.330 1.00 0.00 C ATOM 158 CD1 PHE A 11 -8.590 0.879 3.556 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.488 0.661 1.313 1.00 0.00 C ATOM 160 CE1 PHE A 11 -8.779 -0.493 3.763 1.00 0.00 C ATOM 161 CE2 PHE A 11 -9.678 -0.710 1.522 1.00 0.00 C ATOM 162 CZ PHE A 11 -9.324 -1.287 2.747 1.00 0.00 C ATOM 0 H PHE A 11 -7.535 4.905 3.042 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.677 2.332 2.029 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.040 3.493 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.380 3.277 1.286 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.171 1.492 4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.760 1.106 0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.504 -0.939 4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.098 -1.323 0.738 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.471 -2.345 2.908 1.00 0.00 H new ATOM 172 N LEU A 12 -7.645 4.626 -0.158 1.00 0.00 N ATOM 173 CA LEU A 12 -7.541 4.973 -1.601 1.00 0.00 C ATOM 174 C LEU A 12 -6.072 5.193 -1.961 1.00 0.00 C ATOM 175 O LEU A 12 -5.701 5.212 -3.118 1.00 0.00 O ATOM 176 CB LEU A 12 -8.334 6.250 -1.882 1.00 0.00 C ATOM 177 CG LEU A 12 -9.404 5.966 -2.937 1.00 0.00 C ATOM 178 CD1 LEU A 12 -10.357 4.885 -2.424 1.00 0.00 C ATOM 179 CD2 LEU A 12 -10.193 7.245 -3.220 1.00 0.00 C ATOM 0 H LEU A 12 -8.128 5.313 0.420 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.948 4.159 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.800 6.611 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.665 7.037 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.925 5.622 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.119 4.684 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.797 3.972 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.836 5.227 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.956 7.043 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.670 7.589 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.516 8.016 -3.588 1.00 0.00 H new ATOM 191 N ASP A 13 -5.229 5.349 -0.977 1.00 0.00 N ATOM 192 CA ASP A 13 -3.783 5.553 -1.268 1.00 0.00 C ATOM 193 C ASP A 13 -3.247 4.299 -1.955 1.00 0.00 C ATOM 194 O ASP A 13 -2.661 4.355 -3.017 1.00 0.00 O ATOM 195 CB ASP A 13 -3.023 5.788 0.039 1.00 0.00 C ATOM 196 CG ASP A 13 -2.009 6.917 -0.154 1.00 0.00 C ATOM 197 OD1 ASP A 13 -1.091 6.735 -0.936 1.00 0.00 O ATOM 198 OD2 ASP A 13 -2.168 7.945 0.484 1.00 0.00 O ATOM 0 H ASP A 13 -5.478 5.344 0.012 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.650 6.420 -1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.721 6.044 0.836 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.512 4.875 0.344 1.00 0.00 H new ATOM 203 N ASN A 14 -3.455 3.165 -1.348 1.00 0.00 N ATOM 204 CA ASN A 14 -2.974 1.891 -1.951 1.00 0.00 C ATOM 205 C ASN A 14 -4.170 0.976 -2.245 1.00 0.00 C ATOM 206 O ASN A 14 -4.263 0.384 -3.302 1.00 0.00 O ATOM 207 CB ASN A 14 -2.022 1.200 -0.974 1.00 0.00 C ATOM 208 CG ASN A 14 -0.966 2.202 -0.503 1.00 0.00 C ATOM 209 OD1 ASN A 14 -0.433 2.957 -1.292 1.00 0.00 O ATOM 210 ND2 ASN A 14 -0.639 2.242 0.760 1.00 0.00 N ATOM 0 H ASN A 14 -3.940 3.065 -0.456 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.449 2.102 -2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.577 0.811 -0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.542 0.348 -1.457 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.063 2.907 1.084 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.086 1.609 1.423 1.00 0.00 H new ATOM 217 N MET A 15 -5.088 0.853 -1.320 1.00 0.00 N ATOM 218 CA MET A 15 -6.272 -0.022 -1.555 1.00 0.00 C ATOM 219 C MET A 15 -5.839 -1.490 -1.556 1.00 0.00 C ATOM 220 O MET A 15 -6.626 -2.371 -1.833 1.00 0.00 O ATOM 221 CB MET A 15 -6.920 0.344 -2.891 1.00 0.00 C ATOM 222 CG MET A 15 -8.441 0.392 -2.714 1.00 0.00 C ATOM 223 SD MET A 15 -9.043 2.066 -3.058 1.00 0.00 S ATOM 224 CE MET A 15 -8.176 2.311 -4.628 1.00 0.00 C ATOM 0 H MET A 15 -5.067 1.321 -0.414 1.00 0.00 H new ATOM 0 HA MET A 15 -7.000 0.126 -0.757 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.551 1.310 -3.236 1.00 0.00 H new ATOM 0 HB3 MET A 15 -6.653 -0.389 -3.652 1.00 0.00 H new ATOM 0 HG2 MET A 15 -8.918 -0.322 -3.386 1.00 0.00 H new ATOM 0 HG3 MET A 15 -8.708 0.101 -1.698 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.523 3.181 -4.551 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.579 1.428 -4.855 1.00 0.00 H new ATOM 0 HE3 MET A 15 -8.903 2.472 -5.424 1.00 0.00 H new ATOM 234 N ARG A 16 -4.596 -1.752 -1.231 1.00 0.00 N ATOM 235 CA ARG A 16 -4.093 -3.162 -1.193 1.00 0.00 C ATOM 236 C ARG A 16 -4.740 -3.980 -2.310 1.00 0.00 C ATOM 237 O ARG A 16 -4.937 -5.171 -2.178 1.00 0.00 O ATOM 238 CB ARG A 16 -4.434 -3.792 0.160 1.00 0.00 C ATOM 239 CG ARG A 16 -3.218 -4.560 0.686 1.00 0.00 C ATOM 240 CD ARG A 16 -2.844 -5.667 -0.303 1.00 0.00 C ATOM 241 NE ARG A 16 -1.701 -6.454 0.241 1.00 0.00 N ATOM 242 CZ ARG A 16 -1.017 -7.242 -0.544 1.00 0.00 C ATOM 243 NH1 ARG A 16 0.254 -7.026 -0.741 1.00 0.00 N ATOM 244 NH2 ARG A 16 -1.606 -8.249 -1.130 1.00 0.00 N ATOM 0 H ARG A 16 -3.903 -1.044 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.012 -3.156 -1.333 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.724 -3.018 0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.285 -4.465 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.377 -3.880 0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.441 -4.990 1.662 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.700 -6.320 -0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.575 -5.233 -1.266 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.453 -6.377 1.227 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.715 -6.241 -0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.787 -7.642 -1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.600 -8.420 -0.974 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.073 -8.865 -1.743 1.00 0.00 H new ATOM 258 N VAL A 17 -5.058 -3.348 -3.408 1.00 0.00 N ATOM 259 CA VAL A 17 -5.686 -4.077 -4.554 1.00 0.00 C ATOM 260 C VAL A 17 -6.420 -3.092 -5.462 1.00 0.00 C ATOM 261 O VAL A 17 -6.344 -3.176 -6.671 1.00 0.00 O ATOM 262 CB VAL A 17 -6.673 -5.146 -4.051 1.00 0.00 C ATOM 263 CG1 VAL A 17 -7.578 -4.569 -2.960 1.00 0.00 C ATOM 264 CG2 VAL A 17 -7.541 -5.630 -5.218 1.00 0.00 C ATOM 0 H VAL A 17 -4.910 -2.351 -3.563 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.894 -4.571 -5.116 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.104 -5.979 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.269 -5.338 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.968 -4.229 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.142 -3.728 -3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.240 -6.387 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.097 -4.788 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.904 -6.059 -5.992 1.00 0.00 H new ATOM 274 N GLY A 18 -7.134 -2.163 -4.899 1.00 0.00 N ATOM 275 CA GLY A 18 -7.873 -1.186 -5.748 1.00 0.00 C ATOM 276 C GLY A 18 -8.967 -1.920 -6.530 1.00 0.00 C ATOM 277 O GLY A 18 -9.293 -3.050 -6.223 1.00 0.00 O ATOM 0 H GLY A 18 -7.240 -2.035 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.315 -0.408 -5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.187 -0.693 -6.436 1.00 0.00 H new ATOM 281 N PRO A 19 -9.502 -1.254 -7.523 1.00 0.00 N ATOM 282 CA PRO A 19 -10.565 -1.815 -8.376 1.00 0.00 C ATOM 283 C PRO A 19 -9.968 -2.767 -9.418 1.00 0.00 C ATOM 284 O PRO A 19 -8.776 -3.001 -9.447 1.00 0.00 O ATOM 285 CB PRO A 19 -11.168 -0.582 -9.053 1.00 0.00 C ATOM 286 CG PRO A 19 -10.082 0.520 -9.001 1.00 0.00 C ATOM 287 CD PRO A 19 -9.099 0.120 -7.883 1.00 0.00 C ATOM 0 HA PRO A 19 -11.300 -2.395 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.448 -0.803 -10.083 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.073 -0.260 -8.538 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.567 0.602 -9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.528 1.493 -8.795 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.066 0.155 -8.229 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.171 0.793 -7.029 1.00 0.00 H new ATOM 294 N ARG A 20 -10.787 -3.315 -10.275 1.00 0.00 N ATOM 295 CA ARG A 20 -10.266 -4.248 -11.315 1.00 0.00 C ATOM 296 C ARG A 20 -9.773 -3.442 -12.518 1.00 0.00 C ATOM 297 O ARG A 20 -8.587 -3.313 -12.749 1.00 0.00 O ATOM 298 CB ARG A 20 -11.383 -5.196 -11.757 1.00 0.00 C ATOM 299 CG ARG A 20 -10.919 -6.644 -11.596 1.00 0.00 C ATOM 300 CD ARG A 20 -10.676 -7.259 -12.977 1.00 0.00 C ATOM 301 NE ARG A 20 -10.148 -8.643 -12.821 1.00 0.00 N ATOM 302 CZ ARG A 20 -9.443 -9.183 -13.777 1.00 0.00 C ATOM 303 NH1 ARG A 20 -8.140 -9.168 -13.714 1.00 0.00 N ATOM 304 NH2 ARG A 20 -10.042 -9.738 -14.795 1.00 0.00 N ATOM 0 H ARG A 20 -11.794 -3.157 -10.300 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.441 -4.829 -10.903 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.279 -5.022 -11.161 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.649 -5.002 -12.796 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.004 -6.680 -11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.671 -7.220 -11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.605 -7.275 -13.548 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.968 -6.650 -13.538 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.337 -9.168 -11.967 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.673 -8.734 -12.918 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.588 -9.590 -14.461 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.061 -9.749 -14.843 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.491 -10.160 -15.543 1.00 0.00 H new ATOM 318 N THR A 21 -10.676 -2.893 -13.286 1.00 0.00 N ATOM 319 CA THR A 21 -10.262 -2.092 -14.472 1.00 0.00 C ATOM 320 C THR A 21 -10.687 -0.634 -14.268 1.00 0.00 C ATOM 321 O THR A 21 -10.642 -0.121 -13.166 1.00 0.00 O ATOM 322 CB THR A 21 -10.926 -2.668 -15.728 1.00 0.00 C ATOM 323 OG1 THR A 21 -12.338 -2.618 -15.580 1.00 0.00 O ATOM 324 CG2 THR A 21 -10.483 -4.121 -15.914 1.00 0.00 C ATOM 0 H THR A 21 -11.683 -2.965 -13.142 1.00 0.00 H new ATOM 0 HA THR A 21 -9.179 -2.134 -14.592 1.00 0.00 H new ATOM 0 HB THR A 21 -10.631 -2.083 -16.599 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.664 -3.484 -15.256 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.954 -4.533 -16.806 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.399 -4.160 -16.024 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.780 -4.706 -15.044 1.00 0.00 H new ATOM 332 N TYR A 22 -11.099 0.045 -15.306 1.00 0.00 N ATOM 333 CA TYR A 22 -11.519 1.467 -15.132 1.00 0.00 C ATOM 334 C TYR A 22 -11.900 2.085 -16.482 1.00 0.00 C ATOM 335 O TYR A 22 -12.945 2.687 -16.619 1.00 0.00 O ATOM 336 CB TYR A 22 -10.368 2.265 -14.517 1.00 0.00 C ATOM 337 CG TYR A 22 -10.879 3.037 -13.325 1.00 0.00 C ATOM 338 CD1 TYR A 22 -11.579 4.233 -13.515 1.00 0.00 C ATOM 339 CD2 TYR A 22 -10.653 2.555 -12.029 1.00 0.00 C ATOM 340 CE1 TYR A 22 -12.056 4.948 -12.409 1.00 0.00 C ATOM 341 CE2 TYR A 22 -11.128 3.270 -10.924 1.00 0.00 C ATOM 342 CZ TYR A 22 -11.830 4.467 -11.114 1.00 0.00 C ATOM 343 OH TYR A 22 -12.299 5.172 -10.025 1.00 0.00 O ATOM 0 H TYR A 22 -11.163 -0.318 -16.257 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.387 1.498 -14.474 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.566 1.593 -14.213 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.949 2.949 -15.255 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.752 4.605 -14.514 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -10.112 1.632 -11.883 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -12.598 5.870 -12.555 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -10.953 2.899 -9.925 1.00 0.00 H new ATOM 0 HH TYR A 22 -12.058 4.700 -9.201 1.00 0.00 H new ATOM 353 N ALA A 23 -11.064 1.958 -17.477 1.00 0.00 N ATOM 354 CA ALA A 23 -11.399 2.557 -18.800 1.00 0.00 C ATOM 355 C ALA A 23 -12.632 1.874 -19.374 1.00 0.00 C ATOM 356 O ALA A 23 -13.583 2.510 -19.789 1.00 0.00 O ATOM 357 CB ALA A 23 -10.219 2.377 -19.760 1.00 0.00 C ATOM 0 H ALA A 23 -10.170 1.469 -17.432 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.602 3.620 -18.672 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.466 2.816 -20.727 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.338 2.873 -19.351 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.011 1.314 -19.886 1.00 0.00 H new ATOM 363 N ASP A 24 -12.615 0.584 -19.399 1.00 0.00 N ATOM 364 CA ASP A 24 -13.773 -0.178 -19.944 1.00 0.00 C ATOM 365 C ASP A 24 -14.943 -0.114 -18.960 1.00 0.00 C ATOM 366 O ASP A 24 -16.018 0.339 -19.290 1.00 0.00 O ATOM 367 CB ASP A 24 -13.367 -1.638 -20.160 1.00 0.00 C ATOM 368 CG ASP A 24 -12.972 -1.847 -21.623 1.00 0.00 C ATOM 369 OD1 ASP A 24 -13.098 -0.908 -22.390 1.00 0.00 O ATOM 370 OD2 ASP A 24 -12.551 -2.945 -21.952 1.00 0.00 O ATOM 0 H ASP A 24 -11.842 0.010 -19.063 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.077 0.260 -20.894 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.533 -1.895 -19.507 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.193 -2.299 -19.897 1.00 0.00 H new ATOM 375 N VAL A 25 -14.742 -0.570 -17.754 1.00 0.00 N ATOM 376 CA VAL A 25 -15.844 -0.542 -16.748 1.00 0.00 C ATOM 377 C VAL A 25 -16.507 0.839 -16.735 1.00 0.00 C ATOM 378 O VAL A 25 -17.708 0.960 -16.611 1.00 0.00 O ATOM 379 CB VAL A 25 -15.270 -0.839 -15.361 1.00 0.00 C ATOM 380 CG1 VAL A 25 -15.029 -2.344 -15.220 1.00 0.00 C ATOM 381 CG2 VAL A 25 -13.946 -0.090 -15.186 1.00 0.00 C ATOM 0 H VAL A 25 -13.861 -0.962 -17.420 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.588 -1.294 -17.011 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.976 -0.512 -14.597 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.620 -2.556 -14.232 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -15.972 -2.877 -15.344 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.323 -2.673 -15.983 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.536 -0.301 -14.198 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.240 -0.417 -15.949 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.118 0.982 -15.286 1.00 0.00 H new ATOM 391 N ARG A 26 -15.731 1.879 -16.853 1.00 0.00 N ATOM 392 CA ARG A 26 -16.312 3.251 -16.837 1.00 0.00 C ATOM 393 C ARG A 26 -17.070 3.512 -18.142 1.00 0.00 C ATOM 394 O ARG A 26 -18.173 4.023 -18.137 1.00 0.00 O ATOM 395 CB ARG A 26 -15.187 4.278 -16.690 1.00 0.00 C ATOM 396 CG ARG A 26 -15.769 5.691 -16.780 1.00 0.00 C ATOM 397 CD ARG A 26 -16.707 5.937 -15.596 1.00 0.00 C ATOM 398 NE ARG A 26 -15.963 5.739 -14.320 1.00 0.00 N ATOM 399 CZ ARG A 26 -16.550 5.976 -13.179 1.00 0.00 C ATOM 400 NH1 ARG A 26 -17.756 5.529 -12.960 1.00 0.00 N ATOM 401 NH2 ARG A 26 -15.931 6.663 -12.258 1.00 0.00 N ATOM 0 H ARG A 26 -14.717 1.839 -16.960 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.002 3.338 -15.998 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.679 4.143 -15.735 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.441 4.130 -17.471 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.965 6.427 -16.779 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -16.311 5.813 -17.718 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -17.109 6.949 -15.641 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -17.556 5.255 -15.644 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.995 5.418 -14.339 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.240 4.994 -13.681 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.214 5.714 -12.068 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.989 7.014 -12.430 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.389 6.849 -11.366 1.00 0.00 H new ATOM 415 N ASP A 27 -16.489 3.170 -19.260 1.00 0.00 N ATOM 416 CA ASP A 27 -17.181 3.407 -20.561 1.00 0.00 C ATOM 417 C ASP A 27 -18.436 2.540 -20.644 1.00 0.00 C ATOM 418 O ASP A 27 -19.314 2.781 -21.447 1.00 0.00 O ATOM 419 CB ASP A 27 -16.238 3.055 -21.712 1.00 0.00 C ATOM 420 CG ASP A 27 -15.730 4.341 -22.367 1.00 0.00 C ATOM 421 OD1 ASP A 27 -16.427 4.862 -23.222 1.00 0.00 O ATOM 422 OD2 ASP A 27 -14.653 4.782 -22.002 1.00 0.00 O ATOM 0 H ASP A 27 -15.568 2.738 -19.330 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.465 4.457 -20.632 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.398 2.467 -21.341 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.758 2.441 -22.447 1.00 0.00 H new ATOM 427 N GLU A 28 -18.537 1.537 -19.816 1.00 0.00 N ATOM 428 CA GLU A 28 -19.746 0.672 -19.855 1.00 0.00 C ATOM 429 C GLU A 28 -20.924 1.458 -19.293 1.00 0.00 C ATOM 430 O GLU A 28 -22.051 1.297 -19.724 1.00 0.00 O ATOM 431 CB GLU A 28 -19.513 -0.586 -19.017 1.00 0.00 C ATOM 432 CG GLU A 28 -18.262 -1.309 -19.520 1.00 0.00 C ATOM 433 CD GLU A 28 -18.653 -2.678 -20.078 1.00 0.00 C ATOM 434 OE1 GLU A 28 -19.389 -3.382 -19.405 1.00 0.00 O ATOM 435 OE2 GLU A 28 -18.211 -3.000 -21.168 1.00 0.00 O ATOM 0 H GLU A 28 -17.838 1.281 -19.118 1.00 0.00 H new ATOM 0 HA GLU A 28 -19.955 0.373 -20.882 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.395 -0.320 -17.967 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.378 -1.245 -19.083 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -17.772 -0.716 -20.293 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -17.546 -1.427 -18.707 1.00 0.00 H new ATOM 442 N ILE A 29 -20.678 2.328 -18.348 1.00 0.00 N ATOM 443 CA ILE A 29 -21.801 3.132 -17.785 1.00 0.00 C ATOM 444 C ILE A 29 -22.203 4.249 -18.760 1.00 0.00 C ATOM 445 O ILE A 29 -22.849 5.208 -18.388 1.00 0.00 O ATOM 446 CB ILE A 29 -21.384 3.739 -16.443 1.00 0.00 C ATOM 447 CG1 ILE A 29 -22.628 4.224 -15.696 1.00 0.00 C ATOM 448 CG2 ILE A 29 -20.443 4.922 -16.682 1.00 0.00 C ATOM 449 CD1 ILE A 29 -22.583 3.729 -14.250 1.00 0.00 C ATOM 0 H ILE A 29 -19.759 2.515 -17.946 1.00 0.00 H new ATOM 0 HA ILE A 29 -22.658 2.476 -17.633 1.00 0.00 H new ATOM 0 HB ILE A 29 -20.871 2.983 -15.849 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -22.676 5.313 -15.717 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -23.528 3.856 -16.189 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.148 5.352 -15.725 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.556 4.579 -17.215 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -20.954 5.679 -17.277 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -23.470 4.075 -13.719 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -22.556 2.639 -14.239 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -21.691 4.119 -13.760 1.00 0.00 H new ATOM 461 N ASN A 30 -21.841 4.118 -20.005 1.00 0.00 N ATOM 462 CA ASN A 30 -22.208 5.142 -21.015 1.00 0.00 C ATOM 463 C ASN A 30 -23.326 4.585 -21.900 1.00 0.00 C ATOM 464 O ASN A 30 -24.431 5.091 -21.911 1.00 0.00 O ATOM 465 CB ASN A 30 -20.986 5.470 -21.876 1.00 0.00 C ATOM 466 CG ASN A 30 -20.103 6.481 -21.143 1.00 0.00 C ATOM 467 OD1 ASN A 30 -20.477 6.996 -20.108 1.00 0.00 O ATOM 468 ND2 ASN A 30 -18.936 6.788 -21.639 1.00 0.00 N ATOM 0 H ASN A 30 -21.299 3.334 -20.368 1.00 0.00 H new ATOM 0 HA ASN A 30 -22.549 6.050 -20.517 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.421 4.562 -22.085 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -21.303 5.877 -22.836 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -18.338 7.460 -21.158 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.621 6.356 -22.508 1.00 0.00 H new ATOM 475 N LYS A 31 -23.052 3.543 -22.643 1.00 0.00 N ATOM 476 CA LYS A 31 -24.106 2.962 -23.519 1.00 0.00 C ATOM 477 C LYS A 31 -24.606 1.630 -22.941 1.00 0.00 C ATOM 478 O LYS A 31 -25.317 0.896 -23.597 1.00 0.00 O ATOM 479 CB LYS A 31 -23.532 2.727 -24.917 1.00 0.00 C ATOM 480 CG LYS A 31 -24.461 3.353 -25.961 1.00 0.00 C ATOM 481 CD LYS A 31 -24.279 2.641 -27.301 1.00 0.00 C ATOM 482 CE LYS A 31 -25.649 2.278 -27.877 1.00 0.00 C ATOM 483 NZ LYS A 31 -26.026 0.906 -27.436 1.00 0.00 N ATOM 0 H LYS A 31 -22.147 3.073 -22.679 1.00 0.00 H new ATOM 0 HA LYS A 31 -24.943 3.658 -23.575 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -22.536 3.164 -24.991 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -23.425 1.658 -25.103 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -25.498 3.275 -25.634 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -24.240 4.415 -26.069 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -23.739 3.284 -27.996 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -23.679 1.741 -27.168 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -26.397 2.997 -27.544 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -25.622 2.327 -28.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -26.957 0.659 -27.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -25.317 0.225 -27.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -26.068 0.874 -26.397 1.00 0.00 H new ATOM 497 N ARG A 32 -24.249 1.308 -21.723 1.00 0.00 N ATOM 498 CA ARG A 32 -24.723 0.023 -21.133 1.00 0.00 C ATOM 499 C ARG A 32 -25.866 0.303 -20.155 1.00 0.00 C ATOM 500 O ARG A 32 -25.692 0.259 -18.953 1.00 0.00 O ATOM 501 CB ARG A 32 -23.572 -0.659 -20.390 1.00 0.00 C ATOM 502 CG ARG A 32 -23.827 -2.168 -20.332 1.00 0.00 C ATOM 503 CD ARG A 32 -22.539 -2.889 -19.933 1.00 0.00 C ATOM 504 NE ARG A 32 -22.840 -4.319 -19.640 1.00 0.00 N ATOM 505 CZ ARG A 32 -23.267 -4.667 -18.457 1.00 0.00 C ATOM 506 NH1 ARG A 32 -22.757 -4.114 -17.391 1.00 0.00 N ATOM 507 NH2 ARG A 32 -24.204 -5.568 -18.339 1.00 0.00 N ATOM 0 H ARG A 32 -23.655 1.875 -21.118 1.00 0.00 H new ATOM 0 HA ARG A 32 -25.076 -0.632 -21.930 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -22.628 -0.458 -20.896 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -23.485 -0.255 -19.381 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -24.616 -2.387 -19.613 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -24.171 -2.527 -21.302 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -21.806 -2.818 -20.737 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -22.099 -2.412 -19.057 1.00 0.00 H new ATOM 0 HE ARG A 32 -22.712 -5.026 -20.364 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -22.025 -3.410 -17.482 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -23.091 -4.386 -16.466 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -24.603 -6.001 -19.172 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -24.537 -5.839 -17.414 1.00 0.00 H new ATOM 521 N GLY A 33 -27.034 0.590 -20.662 1.00 0.00 N ATOM 522 CA GLY A 33 -28.189 0.870 -19.764 1.00 0.00 C ATOM 523 C GLY A 33 -27.864 2.064 -18.864 1.00 0.00 C ATOM 524 O GLY A 33 -27.820 3.195 -19.307 1.00 0.00 O ATOM 0 H GLY A 33 -27.238 0.643 -21.660 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -29.080 1.080 -20.356 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -28.410 -0.007 -19.156 1.00 0.00 H new ATOM 528 N ARG A 34 -27.638 1.822 -17.602 1.00 0.00 N ATOM 529 CA ARG A 34 -27.319 2.943 -16.673 1.00 0.00 C ATOM 530 C ARG A 34 -26.117 3.724 -17.208 1.00 0.00 C ATOM 531 O ARG A 34 -25.274 3.114 -17.844 1.00 0.00 O ATOM 532 CB ARG A 34 -26.987 2.378 -15.290 1.00 0.00 C ATOM 533 CG ARG A 34 -28.104 1.430 -14.846 1.00 0.00 C ATOM 534 CD ARG A 34 -28.375 1.622 -13.352 1.00 0.00 C ATOM 535 NE ARG A 34 -29.270 0.532 -12.867 1.00 0.00 N ATOM 536 CZ ARG A 34 -28.770 -0.481 -12.214 1.00 0.00 C ATOM 537 NH1 ARG A 34 -27.645 -1.016 -12.602 1.00 0.00 N ATOM 538 NH2 ARG A 34 -29.396 -0.961 -11.175 1.00 0.00 N ATOM 539 OXT ARG A 34 -26.062 4.920 -16.973 1.00 0.00 O ATOM 0 H ARG A 34 -27.660 0.896 -17.174 1.00 0.00 H new ATOM 0 HA ARG A 34 -28.179 3.609 -16.597 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -26.035 1.847 -15.321 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -26.876 3.189 -14.571 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -29.010 1.626 -15.419 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -27.819 0.397 -15.045 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -27.437 1.612 -12.797 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -28.838 2.593 -13.177 1.00 0.00 H new ATOM 0 HE ARG A 34 -30.273 0.578 -13.046 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -27.156 -0.642 -13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -27.254 -1.808 -12.092 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -30.277 -0.544 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -29.005 -1.753 -10.665 1.00 0.00 H new TER 553 ARG A 34