USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=8 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 -168:sc=-0.00652 (180deg=-0.0739) USER MOD Single : A 1 MET N :NH3+ -153:sc= 0.0246 (180deg=0) USER MOD Single : A 2 SER OG : rot -8:sc= 0.625 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 91:sc= 0.0902 USER MOD Single : A 14 ASN : amide:sc= -0.407 K(o=-0.41,f=-1.2) USER MOD Single : A 15 MET CE :methyl -163:sc= -0.295 (180deg=-0.79) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.1) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0486) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.997 5.965 2.944 1.00 0.00 N ATOM 2 CA MET A 1 -22.045 6.419 3.997 1.00 0.00 C ATOM 3 C MET A 1 -21.700 7.893 3.772 1.00 0.00 C ATOM 4 O MET A 1 -22.421 8.615 3.114 1.00 0.00 O ATOM 5 CB MET A 1 -20.770 5.575 3.930 1.00 0.00 C ATOM 6 CG MET A 1 -20.543 4.886 5.277 1.00 0.00 C ATOM 7 SD MET A 1 -21.656 3.466 5.423 1.00 0.00 S ATOM 8 CE MET A 1 -22.535 4.017 6.906 1.00 0.00 C ATOM 0 H1 MET A 1 -23.573 5.181 3.311 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.619 6.754 2.674 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.465 5.643 2.110 1.00 0.00 H new ATOM 0 HA MET A 1 -22.504 6.302 4.979 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.855 4.831 3.138 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.916 6.206 3.684 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.506 4.559 5.360 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.723 5.588 6.091 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.129 3.194 7.304 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.814 4.341 7.657 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.192 4.849 6.652 1.00 0.00 H new ATOM 20 N SER A 2 -20.604 8.347 4.317 1.00 0.00 N ATOM 21 CA SER A 2 -20.216 9.775 4.137 1.00 0.00 C ATOM 22 C SER A 2 -18.798 9.988 4.664 1.00 0.00 C ATOM 23 O SER A 2 -18.261 9.160 5.374 1.00 0.00 O ATOM 24 CB SER A 2 -21.182 10.668 4.917 1.00 0.00 C ATOM 25 OG SER A 2 -22.449 10.666 4.273 1.00 0.00 O ATOM 0 H SER A 2 -19.960 7.790 4.879 1.00 0.00 H new ATOM 0 HA SER A 2 -20.255 10.030 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.281 10.308 5.941 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.791 11.684 4.973 1.00 0.00 H new ATOM 0 HG SER A 2 -22.377 10.205 3.411 1.00 0.00 H new ATOM 31 N TRP A 3 -18.190 11.096 4.332 1.00 0.00 N ATOM 32 CA TRP A 3 -16.807 11.370 4.822 1.00 0.00 C ATOM 33 C TRP A 3 -15.967 10.081 4.768 1.00 0.00 C ATOM 34 O TRP A 3 -15.586 9.550 5.793 1.00 0.00 O ATOM 35 CB TRP A 3 -16.881 11.854 6.271 1.00 0.00 C ATOM 36 CG TRP A 3 -16.596 13.321 6.317 1.00 0.00 C ATOM 37 CD1 TRP A 3 -15.455 13.906 5.885 1.00 0.00 C ATOM 38 CD2 TRP A 3 -17.443 14.395 6.817 1.00 0.00 C ATOM 39 NE1 TRP A 3 -15.549 15.271 6.086 1.00 0.00 N ATOM 40 CE2 TRP A 3 -16.755 15.621 6.659 1.00 0.00 C ATOM 41 CE3 TRP A 3 -18.728 14.423 7.386 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -17.324 16.834 7.051 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -19.303 15.641 7.783 1.00 0.00 C ATOM 44 CH2 TRP A 3 -18.602 16.844 7.616 1.00 0.00 C ATOM 0 H TRP A 3 -18.592 11.824 3.742 1.00 0.00 H new ATOM 0 HA TRP A 3 -16.344 12.130 4.192 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -17.869 11.651 6.684 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -16.161 11.313 6.885 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -14.609 13.391 5.454 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -14.817 15.938 5.841 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -19.276 13.502 7.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -16.780 17.758 6.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -20.291 15.651 8.219 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -19.050 17.777 7.924 1.00 0.00 H new ATOM 55 N ALA A 4 -15.673 9.563 3.597 1.00 0.00 N ATOM 56 CA ALA A 4 -14.863 8.313 3.525 1.00 0.00 C ATOM 57 C ALA A 4 -13.369 8.651 3.599 1.00 0.00 C ATOM 58 O ALA A 4 -12.547 8.001 2.980 1.00 0.00 O ATOM 59 CB ALA A 4 -15.154 7.599 2.203 1.00 0.00 C ATOM 0 H ALA A 4 -15.958 9.951 2.698 1.00 0.00 H new ATOM 0 HA ALA A 4 -15.126 7.667 4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.564 6.684 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.214 7.351 2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -14.892 8.253 1.371 1.00 0.00 H new ATOM 65 N LEU A 5 -13.002 9.660 4.348 1.00 0.00 N ATOM 66 CA LEU A 5 -11.563 10.025 4.452 1.00 0.00 C ATOM 67 C LEU A 5 -10.845 9.017 5.354 1.00 0.00 C ATOM 68 O LEU A 5 -9.639 8.874 5.305 1.00 0.00 O ATOM 69 CB LEU A 5 -11.439 11.429 5.051 1.00 0.00 C ATOM 70 CG LEU A 5 -11.739 12.471 3.973 1.00 0.00 C ATOM 71 CD1 LEU A 5 -12.331 13.724 4.622 1.00 0.00 C ATOM 72 CD2 LEU A 5 -10.443 12.837 3.246 1.00 0.00 C ATOM 0 H LEU A 5 -13.638 10.244 4.890 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.109 10.011 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.132 11.543 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.435 11.579 5.448 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.454 12.061 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.544 14.466 3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.254 13.464 5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.617 14.136 5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.655 13.580 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.729 13.247 3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.021 11.945 2.783 1.00 0.00 H new ATOM 84 N GLU A 6 -11.577 8.316 6.178 1.00 0.00 N ATOM 85 CA GLU A 6 -10.934 7.318 7.080 1.00 0.00 C ATOM 86 C GLU A 6 -10.483 6.106 6.262 1.00 0.00 C ATOM 87 O GLU A 6 -9.393 5.599 6.436 1.00 0.00 O ATOM 88 CB GLU A 6 -11.941 6.873 8.144 1.00 0.00 C ATOM 89 CG GLU A 6 -11.208 6.128 9.262 1.00 0.00 C ATOM 90 CD GLU A 6 -12.103 5.012 9.806 1.00 0.00 C ATOM 91 OE1 GLU A 6 -12.990 4.587 9.085 1.00 0.00 O ATOM 92 OE2 GLU A 6 -11.885 4.601 10.933 1.00 0.00 O ATOM 0 H GLU A 6 -12.590 8.391 6.265 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.068 7.769 7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.462 7.739 8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.697 6.227 7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.276 5.709 8.883 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.945 6.820 10.062 1.00 0.00 H new ATOM 99 N MET A 7 -11.310 5.641 5.365 1.00 0.00 N ATOM 100 CA MET A 7 -10.926 4.466 4.532 1.00 0.00 C ATOM 101 C MET A 7 -10.001 4.932 3.407 1.00 0.00 C ATOM 102 O MET A 7 -9.190 4.188 2.924 1.00 0.00 O ATOM 103 CB MET A 7 -12.182 3.838 3.926 1.00 0.00 C ATOM 104 CG MET A 7 -12.260 2.363 4.320 1.00 0.00 C ATOM 105 SD MET A 7 -11.789 1.338 2.905 1.00 0.00 S ATOM 106 CE MET A 7 -12.321 -0.249 3.590 1.00 0.00 C ATOM 0 H MET A 7 -12.235 6.025 5.173 1.00 0.00 H new ATOM 0 HA MET A 7 -10.414 3.729 5.151 1.00 0.00 H new ATOM 0 HB2 MET A 7 -13.069 4.366 4.276 1.00 0.00 H new ATOM 0 HB3 MET A 7 -12.161 3.934 2.840 1.00 0.00 H new ATOM 0 HG2 MET A 7 -11.598 2.165 5.163 1.00 0.00 H new ATOM 0 HG3 MET A 7 -13.271 2.114 4.643 1.00 0.00 H new ATOM 0 HE1 MET A 7 -12.121 -1.042 2.869 1.00 0.00 H new ATOM 0 HE2 MET A 7 -11.774 -0.449 4.511 1.00 0.00 H new ATOM 0 HE3 MET A 7 -13.389 -0.214 3.803 1.00 0.00 H new ATOM 116 N ALA A 8 -10.169 6.151 2.977 1.00 0.00 N ATOM 117 CA ALA A 8 -9.341 6.737 1.865 1.00 0.00 C ATOM 118 C ALA A 8 -7.948 7.207 2.308 1.00 0.00 C ATOM 119 O ALA A 8 -7.084 7.343 1.477 1.00 0.00 O ATOM 120 CB ALA A 8 -10.094 7.916 1.250 1.00 0.00 C ATOM 0 H ALA A 8 -10.866 6.791 3.357 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.184 5.938 1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.500 8.346 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.049 7.571 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.271 8.673 2.014 1.00 0.00 H new ATOM 126 N ASP A 9 -7.746 7.536 3.564 1.00 0.00 N ATOM 127 CA ASP A 9 -6.457 8.112 4.020 1.00 0.00 C ATOM 128 C ASP A 9 -5.256 7.589 3.230 1.00 0.00 C ATOM 129 O ASP A 9 -5.366 7.310 2.046 1.00 0.00 O ATOM 130 CB ASP A 9 -6.284 7.775 5.503 1.00 0.00 C ATOM 131 CG ASP A 9 -5.723 8.990 6.246 1.00 0.00 C ATOM 132 OD1 ASP A 9 -6.512 9.835 6.635 1.00 0.00 O ATOM 133 OD2 ASP A 9 -4.517 9.054 6.414 1.00 0.00 O ATOM 0 H ASP A 9 -8.442 7.423 4.301 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.490 9.189 3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.242 7.484 5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.612 6.925 5.617 1.00 0.00 H new ATOM 138 N THR A 10 -4.122 7.507 3.896 1.00 0.00 N ATOM 139 CA THR A 10 -2.813 7.087 3.273 1.00 0.00 C ATOM 140 C THR A 10 -3.083 6.085 2.173 1.00 0.00 C ATOM 141 O THR A 10 -2.957 4.888 2.345 1.00 0.00 O ATOM 142 CB THR A 10 -1.947 6.422 4.348 1.00 0.00 C ATOM 143 OG1 THR A 10 -2.165 7.067 5.595 1.00 0.00 O ATOM 144 CG2 THR A 10 -0.472 6.537 3.960 1.00 0.00 C ATOM 0 H THR A 10 -4.047 7.724 4.890 1.00 0.00 H new ATOM 0 HA THR A 10 -2.302 7.957 2.861 1.00 0.00 H new ATOM 0 HB THR A 10 -2.216 5.369 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.891 6.615 6.074 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.143 6.064 4.725 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.308 6.040 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.199 7.589 3.874 1.00 0.00 H new ATOM 152 N PHE A 11 -3.549 6.575 1.058 1.00 0.00 N ATOM 153 CA PHE A 11 -3.945 5.680 -0.049 1.00 0.00 C ATOM 154 C PHE A 11 -4.816 4.586 0.540 1.00 0.00 C ATOM 155 O PHE A 11 -5.064 3.569 -0.077 1.00 0.00 O ATOM 156 CB PHE A 11 -2.750 5.049 -0.724 1.00 0.00 C ATOM 157 CG PHE A 11 -1.503 5.853 -0.446 1.00 0.00 C ATOM 158 CD1 PHE A 11 -1.379 7.149 -0.958 1.00 0.00 C ATOM 159 CD2 PHE A 11 -0.472 5.303 0.326 1.00 0.00 C ATOM 160 CE1 PHE A 11 -0.224 7.897 -0.699 1.00 0.00 C ATOM 161 CE2 PHE A 11 0.683 6.051 0.584 1.00 0.00 C ATOM 162 CZ PHE A 11 0.807 7.348 0.072 1.00 0.00 C ATOM 0 H PHE A 11 -3.671 7.570 0.871 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.475 6.262 -0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.619 4.028 -0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.920 4.990 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.174 7.573 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.568 4.303 0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.129 8.898 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.479 5.627 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.698 7.925 0.272 1.00 0.00 H new ATOM 172 N LEU A 12 -5.327 4.816 1.718 1.00 0.00 N ATOM 173 CA LEU A 12 -6.218 3.855 2.340 1.00 0.00 C ATOM 174 C LEU A 12 -7.349 3.707 1.340 1.00 0.00 C ATOM 175 O LEU A 12 -8.032 2.706 1.275 1.00 0.00 O ATOM 176 CB LEU A 12 -6.672 4.454 3.684 1.00 0.00 C ATOM 177 CG LEU A 12 -6.780 3.358 4.751 1.00 0.00 C ATOM 178 CD1 LEU A 12 -7.172 3.992 6.088 1.00 0.00 C ATOM 179 CD2 LEU A 12 -7.842 2.330 4.353 1.00 0.00 C ATOM 0 H LEU A 12 -5.148 5.654 2.271 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.783 2.880 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.963 5.216 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.636 4.947 3.562 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.816 2.857 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.250 3.216 6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.413 4.716 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.133 4.496 5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.907 1.558 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.808 2.825 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.568 1.874 3.402 1.00 0.00 H new ATOM 191 N ASP A 13 -7.517 4.719 0.514 1.00 0.00 N ATOM 192 CA ASP A 13 -8.582 4.649 -0.535 1.00 0.00 C ATOM 193 C ASP A 13 -8.423 3.371 -1.364 1.00 0.00 C ATOM 194 O ASP A 13 -9.294 2.523 -1.381 1.00 0.00 O ATOM 195 CB ASP A 13 -8.465 5.867 -1.455 1.00 0.00 C ATOM 196 CG ASP A 13 -9.664 5.908 -2.406 1.00 0.00 C ATOM 197 OD1 ASP A 13 -9.616 5.227 -3.417 1.00 0.00 O ATOM 198 OD2 ASP A 13 -10.607 6.622 -2.107 1.00 0.00 O ATOM 0 H ASP A 13 -6.968 5.579 0.523 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.559 4.640 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.426 6.781 -0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.537 5.817 -2.025 1.00 0.00 H new ATOM 203 N ASN A 14 -7.328 3.224 -2.062 1.00 0.00 N ATOM 204 CA ASN A 14 -7.140 2.003 -2.897 1.00 0.00 C ATOM 205 C ASN A 14 -5.982 1.164 -2.356 1.00 0.00 C ATOM 206 O ASN A 14 -5.229 0.575 -3.106 1.00 0.00 O ATOM 207 CB ASN A 14 -6.835 2.414 -4.340 1.00 0.00 C ATOM 208 CG ASN A 14 -8.107 2.948 -4.997 1.00 0.00 C ATOM 209 OD1 ASN A 14 -8.203 4.121 -5.301 1.00 0.00 O ATOM 210 ND2 ASN A 14 -9.097 2.132 -5.231 1.00 0.00 N ATOM 0 H ASN A 14 -6.559 3.894 -2.090 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.054 1.410 -2.865 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.057 3.177 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.455 1.560 -4.900 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.951 2.478 -5.669 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.018 1.148 -4.976 1.00 0.00 H new ATOM 217 N MET A 15 -5.829 1.101 -1.063 1.00 0.00 N ATOM 218 CA MET A 15 -4.713 0.289 -0.490 1.00 0.00 C ATOM 219 C MET A 15 -5.207 -1.126 -0.180 1.00 0.00 C ATOM 220 O MET A 15 -5.079 -1.607 0.929 1.00 0.00 O ATOM 221 CB MET A 15 -4.205 0.934 0.799 1.00 0.00 C ATOM 222 CG MET A 15 -2.737 1.326 0.624 1.00 0.00 C ATOM 223 SD MET A 15 -1.894 1.261 2.224 1.00 0.00 S ATOM 224 CE MET A 15 -0.232 0.937 1.586 1.00 0.00 C ATOM 0 H MET A 15 -6.422 1.572 -0.380 1.00 0.00 H new ATOM 0 HA MET A 15 -3.903 0.244 -1.218 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.802 1.814 1.039 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.311 0.240 1.633 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.252 0.651 -0.081 1.00 0.00 H new ATOM 0 HG3 MET A 15 -2.666 2.330 0.205 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.400 0.562 2.391 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.286 0.193 0.791 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.192 1.860 1.191 1.00 0.00 H new ATOM 234 N ARG A 16 -5.767 -1.800 -1.145 1.00 0.00 N ATOM 235 CA ARG A 16 -6.261 -3.184 -0.894 1.00 0.00 C ATOM 236 C ARG A 16 -5.075 -4.111 -0.631 1.00 0.00 C ATOM 237 O ARG A 16 -5.219 -5.180 -0.070 1.00 0.00 O ATOM 238 CB ARG A 16 -7.036 -3.682 -2.116 1.00 0.00 C ATOM 239 CG ARG A 16 -8.490 -3.956 -1.724 1.00 0.00 C ATOM 240 CD ARG A 16 -9.352 -4.023 -2.986 1.00 0.00 C ATOM 241 NE ARG A 16 -9.807 -5.425 -3.203 1.00 0.00 N ATOM 242 CZ ARG A 16 -9.084 -6.242 -3.920 1.00 0.00 C ATOM 243 NH1 ARG A 16 -8.222 -7.030 -3.338 1.00 0.00 N ATOM 244 NH2 ARG A 16 -9.220 -6.268 -5.216 1.00 0.00 N ATOM 0 H ARG A 16 -5.904 -1.454 -2.095 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.918 -3.180 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.997 -2.938 -2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.576 -4.590 -2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.559 -4.894 -1.173 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.854 -3.170 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.213 -3.361 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.781 -3.677 -3.848 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.683 -5.746 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.114 -7.007 -2.324 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.657 -7.669 -3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.892 -5.650 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.655 -6.907 -5.775 1.00 0.00 H new ATOM 258 N VAL A 17 -3.906 -3.708 -1.032 1.00 0.00 N ATOM 259 CA VAL A 17 -2.702 -4.562 -0.812 1.00 0.00 C ATOM 260 C VAL A 17 -1.750 -3.867 0.167 1.00 0.00 C ATOM 261 O VAL A 17 -0.568 -4.146 0.202 1.00 0.00 O ATOM 262 CB VAL A 17 -1.991 -4.789 -2.149 1.00 0.00 C ATOM 263 CG1 VAL A 17 -1.287 -3.504 -2.590 1.00 0.00 C ATOM 264 CG2 VAL A 17 -0.958 -5.909 -1.993 1.00 0.00 C ATOM 0 H VAL A 17 -3.728 -2.822 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.007 -5.522 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.726 -5.071 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.783 -3.673 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.022 -2.707 -2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.553 -3.215 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.451 -6.072 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.227 -5.627 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.460 -6.827 -1.688 1.00 0.00 H new ATOM 274 N GLY A 18 -2.250 -2.954 0.954 1.00 0.00 N ATOM 275 CA GLY A 18 -1.368 -2.231 1.915 1.00 0.00 C ATOM 276 C GLY A 18 -1.303 -2.962 3.264 1.00 0.00 C ATOM 277 O GLY A 18 -0.229 -3.180 3.789 1.00 0.00 O ATOM 0 H GLY A 18 -3.231 -2.677 0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.365 -2.143 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.741 -1.218 2.065 1.00 0.00 H new ATOM 281 N PRO A 19 -2.450 -3.297 3.799 1.00 0.00 N ATOM 282 CA PRO A 19 -2.545 -3.975 5.104 1.00 0.00 C ATOM 283 C PRO A 19 -2.247 -5.473 4.977 1.00 0.00 C ATOM 284 O PRO A 19 -1.714 -5.930 3.984 1.00 0.00 O ATOM 285 CB PRO A 19 -3.997 -3.737 5.524 1.00 0.00 C ATOM 286 CG PRO A 19 -4.787 -3.443 4.227 1.00 0.00 C ATOM 287 CD PRO A 19 -3.754 -3.037 3.159 1.00 0.00 C ATOM 0 HA PRO A 19 -1.824 -3.597 5.829 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.401 -4.611 6.035 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.068 -2.900 6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.348 -4.322 3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.511 -2.644 4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.874 -3.622 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.859 -1.988 2.881 1.00 0.00 H new ATOM 294 N ARG A 20 -2.578 -6.235 5.984 1.00 0.00 N ATOM 295 CA ARG A 20 -2.308 -7.701 5.937 1.00 0.00 C ATOM 296 C ARG A 20 -3.403 -8.412 5.140 1.00 0.00 C ATOM 297 O ARG A 20 -3.469 -9.625 5.108 1.00 0.00 O ATOM 298 CB ARG A 20 -2.276 -8.255 7.364 1.00 0.00 C ATOM 299 CG ARG A 20 -3.693 -8.259 7.942 1.00 0.00 C ATOM 300 CD ARG A 20 -3.622 -8.357 9.467 1.00 0.00 C ATOM 301 NE ARG A 20 -4.009 -7.050 10.069 1.00 0.00 N ATOM 302 CZ ARG A 20 -3.941 -6.880 11.362 1.00 0.00 C ATOM 303 NH1 ARG A 20 -4.195 -7.877 12.165 1.00 0.00 N ATOM 304 NH2 ARG A 20 -3.618 -5.714 11.851 1.00 0.00 N ATOM 0 H ARG A 20 -3.025 -5.905 6.839 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.347 -7.872 5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.869 -9.266 7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.620 -7.647 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.219 -7.350 7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.259 -9.099 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.287 -9.144 9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.613 -8.628 9.778 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.327 -6.288 9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.446 -8.789 11.783 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.142 -7.745 13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.419 -4.935 11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.565 -5.581 12.861 1.00 0.00 H new ATOM 318 N THR A 21 -4.264 -7.676 4.491 1.00 0.00 N ATOM 319 CA THR A 21 -5.342 -8.329 3.697 1.00 0.00 C ATOM 320 C THR A 21 -4.713 -9.057 2.507 1.00 0.00 C ATOM 321 O THR A 21 -3.802 -8.559 1.875 1.00 0.00 O ATOM 322 CB THR A 21 -6.324 -7.268 3.196 1.00 0.00 C ATOM 323 OG1 THR A 21 -7.416 -7.905 2.549 1.00 0.00 O ATOM 324 CG2 THR A 21 -5.616 -6.337 2.210 1.00 0.00 C ATOM 0 H THR A 21 -4.268 -6.656 4.476 1.00 0.00 H new ATOM 0 HA THR A 21 -5.879 -9.044 4.320 1.00 0.00 H new ATOM 0 HB THR A 21 -6.691 -6.685 4.041 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.047 -7.227 2.229 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.317 -5.582 1.855 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.779 -5.848 2.708 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.247 -6.916 1.364 1.00 0.00 H new ATOM 332 N TYR A 22 -5.181 -10.237 2.200 1.00 0.00 N ATOM 333 CA TYR A 22 -4.595 -10.994 1.058 1.00 0.00 C ATOM 334 C TYR A 22 -3.217 -11.522 1.458 1.00 0.00 C ATOM 335 O TYR A 22 -2.512 -12.108 0.662 1.00 0.00 O ATOM 336 CB TYR A 22 -4.454 -10.069 -0.153 1.00 0.00 C ATOM 337 CG TYR A 22 -4.371 -10.898 -1.411 1.00 0.00 C ATOM 338 CD1 TYR A 22 -5.308 -11.912 -1.643 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.359 -10.654 -2.347 1.00 0.00 C ATOM 340 CE1 TYR A 22 -5.232 -12.682 -2.810 1.00 0.00 C ATOM 341 CE2 TYR A 22 -3.283 -11.423 -3.514 1.00 0.00 C ATOM 342 CZ TYR A 22 -4.221 -12.437 -3.746 1.00 0.00 C ATOM 343 OH TYR A 22 -4.147 -13.196 -4.896 1.00 0.00 O ATOM 0 H TYR A 22 -5.942 -10.708 2.690 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.248 -11.828 0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.305 -9.391 -0.207 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.561 -9.452 -0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.090 -12.100 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.636 -9.872 -2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.954 -13.465 -2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.501 -11.235 -4.235 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.388 -12.895 -5.438 1.00 0.00 H new ATOM 353 N ALA A 23 -2.828 -11.322 2.688 1.00 0.00 N ATOM 354 CA ALA A 23 -1.498 -11.820 3.131 1.00 0.00 C ATOM 355 C ALA A 23 -1.536 -13.341 3.196 1.00 0.00 C ATOM 356 O ALA A 23 -0.548 -14.019 2.991 1.00 0.00 O ATOM 357 CB ALA A 23 -1.174 -11.255 4.516 1.00 0.00 C ATOM 0 H ALA A 23 -3.372 -10.837 3.401 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.731 -11.500 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.199 -11.621 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.156 -10.166 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.936 -11.575 5.227 1.00 0.00 H new ATOM 363 N ASP A 24 -2.684 -13.872 3.478 1.00 0.00 N ATOM 364 CA ASP A 24 -2.836 -15.351 3.569 1.00 0.00 C ATOM 365 C ASP A 24 -2.836 -15.958 2.166 1.00 0.00 C ATOM 366 O ASP A 24 -1.904 -16.625 1.771 1.00 0.00 O ATOM 367 CB ASP A 24 -4.153 -15.689 4.270 1.00 0.00 C ATOM 368 CG ASP A 24 -3.899 -15.899 5.764 1.00 0.00 C ATOM 369 OD1 ASP A 24 -3.425 -16.964 6.120 1.00 0.00 O ATOM 370 OD2 ASP A 24 -4.185 -14.991 6.526 1.00 0.00 O ATOM 0 H ASP A 24 -3.538 -13.342 3.652 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.004 -15.762 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.872 -14.883 4.123 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.588 -16.589 3.835 1.00 0.00 H new ATOM 375 N VAL A 25 -3.876 -15.739 1.410 1.00 0.00 N ATOM 376 CA VAL A 25 -3.928 -16.310 0.034 1.00 0.00 C ATOM 377 C VAL A 25 -2.623 -16.000 -0.700 1.00 0.00 C ATOM 378 O VAL A 25 -2.032 -16.859 -1.325 1.00 0.00 O ATOM 379 CB VAL A 25 -5.100 -15.692 -0.733 1.00 0.00 C ATOM 380 CG1 VAL A 25 -5.138 -16.260 -2.153 1.00 0.00 C ATOM 381 CG2 VAL A 25 -6.410 -16.026 -0.017 1.00 0.00 C ATOM 0 H VAL A 25 -4.691 -15.190 1.684 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.062 -17.390 0.097 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.974 -14.610 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.973 -15.820 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.205 -16.024 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.264 -17.342 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.245 -15.586 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.535 -17.108 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.385 -15.622 0.995 1.00 0.00 H new ATOM 391 N ARG A 26 -2.172 -14.776 -0.638 1.00 0.00 N ATOM 392 CA ARG A 26 -0.908 -14.410 -1.342 1.00 0.00 C ATOM 393 C ARG A 26 0.274 -15.177 -0.740 1.00 0.00 C ATOM 394 O ARG A 26 1.226 -15.495 -1.424 1.00 0.00 O ATOM 395 CB ARG A 26 -0.665 -12.905 -1.200 1.00 0.00 C ATOM 396 CG ARG A 26 0.361 -12.456 -2.243 1.00 0.00 C ATOM 397 CD ARG A 26 0.593 -10.950 -2.114 1.00 0.00 C ATOM 398 NE ARG A 26 1.741 -10.548 -2.975 1.00 0.00 N ATOM 399 CZ ARG A 26 2.618 -9.690 -2.534 1.00 0.00 C ATOM 400 NH1 ARG A 26 2.478 -8.419 -2.796 1.00 0.00 N ATOM 401 NH2 ARG A 26 3.636 -10.103 -1.828 1.00 0.00 N ATOM 0 H ARG A 26 -2.623 -14.014 -0.131 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.000 -14.671 -2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.599 -12.360 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.304 -12.677 -0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.299 -12.993 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.005 -12.696 -3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -0.305 -10.407 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.796 -10.690 -1.075 1.00 0.00 H new ATOM 0 HE ARG A 26 1.841 -10.944 -3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.682 -8.096 -3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.165 -7.748 -2.451 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.744 -11.096 -1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.323 -9.433 -1.483 1.00 0.00 H new ATOM 415 N ASP A 27 0.232 -15.470 0.533 1.00 0.00 N ATOM 416 CA ASP A 27 1.367 -16.207 1.162 1.00 0.00 C ATOM 417 C ASP A 27 1.296 -17.691 0.798 1.00 0.00 C ATOM 418 O ASP A 27 2.289 -18.391 0.826 1.00 0.00 O ATOM 419 CB ASP A 27 1.295 -16.056 2.683 1.00 0.00 C ATOM 420 CG ASP A 27 2.481 -16.780 3.324 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.573 -16.237 3.287 1.00 0.00 O ATOM 422 OD2 ASP A 27 2.276 -17.867 3.842 1.00 0.00 O ATOM 0 H ASP A 27 -0.535 -15.232 1.162 1.00 0.00 H new ATOM 0 HA ASP A 27 2.305 -15.792 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.309 -15.001 2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.358 -16.469 3.056 1.00 0.00 H new ATOM 427 N GLU A 28 0.137 -18.180 0.458 1.00 0.00 N ATOM 428 CA GLU A 28 0.023 -19.620 0.095 1.00 0.00 C ATOM 429 C GLU A 28 0.900 -19.897 -1.119 1.00 0.00 C ATOM 430 O GLU A 28 1.515 -20.944 -1.230 1.00 0.00 O ATOM 431 CB GLU A 28 -1.433 -19.956 -0.233 1.00 0.00 C ATOM 432 CG GLU A 28 -2.251 -20.023 1.057 1.00 0.00 C ATOM 433 CD GLU A 28 -3.632 -20.609 0.753 1.00 0.00 C ATOM 434 OE1 GLU A 28 -3.986 -20.661 -0.413 1.00 0.00 O ATOM 435 OE2 GLU A 28 -4.309 -20.996 1.691 1.00 0.00 O ATOM 0 H GLU A 28 -0.732 -17.648 0.416 1.00 0.00 H new ATOM 0 HA GLU A 28 0.350 -20.237 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.849 -19.201 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.487 -20.909 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.737 -20.639 1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.353 -19.027 1.488 1.00 0.00 H new ATOM 442 N ILE A 29 0.980 -18.965 -2.030 1.00 0.00 N ATOM 443 CA ILE A 29 1.830 -19.184 -3.235 1.00 0.00 C ATOM 444 C ILE A 29 3.319 -19.055 -2.889 1.00 0.00 C ATOM 445 O ILE A 29 4.153 -18.866 -3.753 1.00 0.00 O ATOM 446 CB ILE A 29 1.460 -18.162 -4.312 1.00 0.00 C ATOM 447 CG1 ILE A 29 -0.002 -18.358 -4.721 1.00 0.00 C ATOM 448 CG2 ILE A 29 2.361 -18.351 -5.532 1.00 0.00 C ATOM 449 CD1 ILE A 29 -0.511 -17.093 -5.414 1.00 0.00 C ATOM 0 H ILE A 29 0.497 -18.067 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 29 1.652 -20.193 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 29 1.595 -17.155 -3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.092 -19.214 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.611 -18.575 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.095 -17.622 -6.297 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.402 -18.209 -5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.230 -19.358 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.552 -17.232 -5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.435 -16.248 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.091 -16.897 -6.301 1.00 0.00 H new ATOM 461 N ASN A 30 3.657 -19.174 -1.641 1.00 0.00 N ATOM 462 CA ASN A 30 5.083 -19.085 -1.227 1.00 0.00 C ATOM 463 C ASN A 30 5.549 -20.459 -0.737 1.00 0.00 C ATOM 464 O ASN A 30 6.438 -21.060 -1.307 1.00 0.00 O ATOM 465 CB ASN A 30 5.228 -18.059 -0.099 1.00 0.00 C ATOM 466 CG ASN A 30 6.697 -17.656 0.038 1.00 0.00 C ATOM 467 OD1 ASN A 30 7.230 -17.619 1.128 1.00 0.00 O ATOM 468 ND2 ASN A 30 7.380 -17.352 -1.032 1.00 0.00 N ATOM 0 H ASN A 30 2.999 -19.331 -0.878 1.00 0.00 H new ATOM 0 HA ASN A 30 5.693 -18.772 -2.075 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.617 -17.181 -0.311 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.866 -18.480 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.361 -17.084 -0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.933 -17.383 -1.948 1.00 0.00 H new ATOM 475 N LYS A 31 4.957 -20.965 0.314 1.00 0.00 N ATOM 476 CA LYS A 31 5.371 -22.297 0.829 1.00 0.00 C ATOM 477 C LYS A 31 4.131 -23.141 1.146 1.00 0.00 C ATOM 478 O LYS A 31 4.129 -23.921 2.077 1.00 0.00 O ATOM 479 CB LYS A 31 6.197 -22.111 2.103 1.00 0.00 C ATOM 480 CG LYS A 31 7.083 -23.338 2.327 1.00 0.00 C ATOM 481 CD LYS A 31 7.141 -23.660 3.821 1.00 0.00 C ATOM 482 CE LYS A 31 8.457 -24.372 4.140 1.00 0.00 C ATOM 483 NZ LYS A 31 8.484 -25.696 3.457 1.00 0.00 N ATOM 0 H LYS A 31 4.206 -20.512 0.835 1.00 0.00 H new ATOM 0 HA LYS A 31 5.968 -22.806 0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.813 -21.216 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.537 -21.966 2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.687 -24.191 1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.087 -23.150 1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.061 -22.743 4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.297 -24.291 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.300 -23.764 3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.559 -24.504 5.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.293 -26.249 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.602 -26.209 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.576 -25.555 2.431 1.00 0.00 H new ATOM 497 N ARG A 32 3.071 -22.998 0.386 1.00 0.00 N ATOM 498 CA ARG A 32 1.848 -23.807 0.672 1.00 0.00 C ATOM 499 C ARG A 32 2.122 -25.297 0.433 1.00 0.00 C ATOM 500 O ARG A 32 1.284 -26.137 0.694 1.00 0.00 O ATOM 501 CB ARG A 32 0.698 -23.349 -0.230 1.00 0.00 C ATOM 502 CG ARG A 32 1.077 -23.568 -1.696 1.00 0.00 C ATOM 503 CD ARG A 32 -0.111 -23.207 -2.588 1.00 0.00 C ATOM 504 NE ARG A 32 -0.030 -23.980 -3.860 1.00 0.00 N ATOM 505 CZ ARG A 32 0.615 -23.491 -4.882 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.868 -23.801 -5.071 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.008 -22.693 -5.718 1.00 0.00 N ATOM 0 H ARG A 32 3.001 -22.364 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 32 1.573 -23.661 1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.208 -23.905 0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.481 -22.295 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.940 -22.955 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.364 -24.607 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.046 -23.429 -2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.109 -22.138 -2.799 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.480 -24.893 -3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.343 -24.426 -4.419 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.373 -23.419 -5.870 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.972 -22.451 -5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.514 -22.311 -6.517 1.00 0.00 H new ATOM 521 N GLY A 33 3.282 -25.634 -0.054 1.00 0.00 N ATOM 522 CA GLY A 33 3.598 -27.069 -0.300 1.00 0.00 C ATOM 523 C GLY A 33 3.249 -27.886 0.945 1.00 0.00 C ATOM 524 O GLY A 33 3.753 -27.639 2.022 1.00 0.00 O ATOM 0 H GLY A 33 4.026 -24.978 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.035 -27.435 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.655 -27.184 -0.540 1.00 0.00 H new ATOM 528 N ARG A 34 2.389 -28.857 0.805 1.00 0.00 N ATOM 529 CA ARG A 34 2.008 -29.689 1.982 1.00 0.00 C ATOM 530 C ARG A 34 1.600 -31.085 1.508 1.00 0.00 C ATOM 531 O ARG A 34 1.250 -31.215 0.347 1.00 0.00 O ATOM 532 CB ARG A 34 0.832 -29.035 2.711 1.00 0.00 C ATOM 533 CG ARG A 34 0.793 -29.525 4.159 1.00 0.00 C ATOM 534 CD ARG A 34 0.431 -28.359 5.082 1.00 0.00 C ATOM 535 NE ARG A 34 -1.044 -28.148 5.057 1.00 0.00 N ATOM 536 CZ ARG A 34 -1.580 -27.206 5.783 1.00 0.00 C ATOM 537 NH1 ARG A 34 -1.178 -27.020 7.011 1.00 0.00 N ATOM 538 NH2 ARG A 34 -2.516 -26.448 5.280 1.00 0.00 N ATOM 539 OXT ARG A 34 1.645 -31.998 2.315 1.00 0.00 O ATOM 0 H ARG A 34 1.934 -29.110 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 34 2.857 -29.768 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.933 -27.950 2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.103 -29.280 2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.061 -30.326 4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.761 -29.939 4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.762 -28.569 6.099 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.945 -27.453 4.760 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.634 -28.740 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.445 -27.611 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.597 -26.283 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.828 -26.592 4.320 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.935 -25.711 5.847 1.00 0.00 H new TER 553 ARG A 34