USER MOD reduce.3.24.130724 H: found=0, std=0, add=273, rem=0, adj=6 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= -0.435 USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 14 ASN : amide:sc= -0.582 K(o=-0.58,f=0.28) USER MOD Single : A 15 MET CE :methyl 149:sc= -0.906 (180deg=-2.48!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 130:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.14! C(o=-1.1!,f=-5.3!) USER MOD Single : A 31 LYS NZ :NH3+ 152:sc= -0.0484 (180deg=-0.341) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.254 19.701 1.587 1.00 0.00 N ATOM 2 CA MET A 1 -15.621 19.412 3.003 1.00 0.00 C ATOM 3 C MET A 1 -14.762 18.259 3.525 1.00 0.00 C ATOM 4 O MET A 1 -13.835 18.460 4.283 1.00 0.00 O ATOM 5 CB MET A 1 -17.101 19.031 3.079 1.00 0.00 C ATOM 6 CG MET A 1 -17.524 18.905 4.544 1.00 0.00 C ATOM 7 SD MET A 1 -18.577 17.447 4.745 1.00 0.00 S ATOM 8 CE MET A 1 -19.923 18.259 5.642 1.00 0.00 C ATOM 0 H1 MET A 1 -15.837 20.485 1.230 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.250 19.966 1.536 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.419 18.854 1.006 1.00 0.00 H new ATOM 0 HA MET A 1 -15.446 20.297 3.614 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.707 19.786 2.579 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.272 18.089 2.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.644 18.822 5.182 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.061 19.800 4.857 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.699 17.529 5.873 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.538 18.684 6.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.344 19.053 5.026 1.00 0.00 H new ATOM 20 N SER A 2 -15.061 17.050 3.130 1.00 0.00 N ATOM 21 CA SER A 2 -14.252 15.895 3.610 1.00 0.00 C ATOM 22 C SER A 2 -14.997 14.588 3.327 1.00 0.00 C ATOM 23 O SER A 2 -15.652 14.037 4.190 1.00 0.00 O ATOM 24 CB SER A 2 -14.015 16.034 5.116 1.00 0.00 C ATOM 25 OG SER A 2 -15.161 16.621 5.719 1.00 0.00 O ATOM 0 H SER A 2 -15.827 16.814 2.499 1.00 0.00 H new ATOM 0 HA SER A 2 -13.295 15.881 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.818 15.057 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.136 16.651 5.302 1.00 0.00 H new ATOM 0 HG SER A 2 -15.013 16.710 6.684 1.00 0.00 H new ATOM 31 N TRP A 3 -14.899 14.080 2.127 1.00 0.00 N ATOM 32 CA TRP A 3 -15.598 12.805 1.798 1.00 0.00 C ATOM 33 C TRP A 3 -15.022 11.681 2.663 1.00 0.00 C ATOM 34 O TRP A 3 -14.602 11.899 3.781 1.00 0.00 O ATOM 35 CB TRP A 3 -15.398 12.472 0.315 1.00 0.00 C ATOM 36 CG TRP A 3 -15.396 13.734 -0.488 1.00 0.00 C ATOM 37 CD1 TRP A 3 -16.187 14.806 -0.248 1.00 0.00 C ATOM 38 CD2 TRP A 3 -14.587 14.074 -1.651 1.00 0.00 C ATOM 39 NE1 TRP A 3 -15.910 15.784 -1.187 1.00 0.00 N ATOM 40 CE2 TRP A 3 -14.932 15.380 -2.074 1.00 0.00 C ATOM 41 CE3 TRP A 3 -13.596 13.385 -2.375 1.00 0.00 C ATOM 42 CZ2 TRP A 3 -14.315 15.981 -3.172 1.00 0.00 C ATOM 43 CZ3 TRP A 3 -12.973 13.987 -3.481 1.00 0.00 C ATOM 44 CH2 TRP A 3 -13.332 15.283 -3.879 1.00 0.00 C ATOM 0 H TRP A 3 -14.366 14.493 1.362 1.00 0.00 H new ATOM 0 HA TRP A 3 -16.665 12.910 1.997 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -14.457 11.939 0.175 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -16.193 11.811 -0.030 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -16.915 14.885 0.546 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -16.372 16.693 -1.220 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -13.312 12.386 -2.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -14.595 16.979 -3.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -12.213 13.449 -4.028 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -12.850 15.741 -4.730 1.00 0.00 H new ATOM 55 N ALA A 4 -14.994 10.480 2.153 1.00 0.00 N ATOM 56 CA ALA A 4 -14.440 9.346 2.948 1.00 0.00 C ATOM 57 C ALA A 4 -12.956 9.177 2.621 1.00 0.00 C ATOM 58 O ALA A 4 -12.406 8.100 2.733 1.00 0.00 O ATOM 59 CB ALA A 4 -15.188 8.061 2.591 1.00 0.00 C ATOM 0 H ALA A 4 -15.330 10.235 1.222 1.00 0.00 H new ATOM 0 HA ALA A 4 -14.559 9.553 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -14.784 7.232 3.171 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -16.247 8.181 2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.067 7.853 1.528 1.00 0.00 H new ATOM 65 N LEU A 5 -12.302 10.230 2.214 1.00 0.00 N ATOM 66 CA LEU A 5 -10.856 10.124 1.877 1.00 0.00 C ATOM 67 C LEU A 5 -10.027 10.087 3.163 1.00 0.00 C ATOM 68 O LEU A 5 -8.881 9.691 3.161 1.00 0.00 O ATOM 69 CB LEU A 5 -10.436 11.330 1.034 1.00 0.00 C ATOM 70 CG LEU A 5 -10.526 10.970 -0.450 1.00 0.00 C ATOM 71 CD1 LEU A 5 -10.231 12.210 -1.300 1.00 0.00 C ATOM 72 CD2 LEU A 5 -9.503 9.876 -0.768 1.00 0.00 C ATOM 0 H LEU A 5 -12.707 11.159 2.100 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.686 9.208 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.080 12.182 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.418 11.627 1.286 1.00 0.00 H new ATOM 0 HG LEU A 5 -11.529 10.610 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.296 11.951 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.959 12.989 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.228 12.574 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.564 9.617 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.500 10.238 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.715 8.993 -0.165 1.00 0.00 H new ATOM 84 N GLU A 6 -10.594 10.498 4.262 1.00 0.00 N ATOM 85 CA GLU A 6 -9.828 10.486 5.540 1.00 0.00 C ATOM 86 C GLU A 6 -9.608 9.040 5.993 1.00 0.00 C ATOM 87 O GLU A 6 -8.490 8.576 6.098 1.00 0.00 O ATOM 88 CB GLU A 6 -10.615 11.244 6.610 1.00 0.00 C ATOM 89 CG GLU A 6 -9.841 11.221 7.931 1.00 0.00 C ATOM 90 CD GLU A 6 -10.703 10.572 9.016 1.00 0.00 C ATOM 91 OE1 GLU A 6 -11.908 10.759 8.979 1.00 0.00 O ATOM 92 OE2 GLU A 6 -10.142 9.900 9.866 1.00 0.00 O ATOM 0 H GLU A 6 -11.552 10.841 4.331 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.862 10.967 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.781 12.273 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.596 10.789 6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.911 10.666 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.571 12.235 8.224 1.00 0.00 H new ATOM 99 N MET A 7 -10.665 8.326 6.264 1.00 0.00 N ATOM 100 CA MET A 7 -10.521 6.912 6.712 1.00 0.00 C ATOM 101 C MET A 7 -10.155 6.024 5.518 1.00 0.00 C ATOM 102 O MET A 7 -9.327 5.142 5.617 1.00 0.00 O ATOM 103 CB MET A 7 -11.849 6.440 7.312 1.00 0.00 C ATOM 104 CG MET A 7 -11.683 5.035 7.892 1.00 0.00 C ATOM 105 SD MET A 7 -13.309 4.257 8.067 1.00 0.00 S ATOM 106 CE MET A 7 -13.051 2.912 6.884 1.00 0.00 C ATOM 0 H MET A 7 -11.626 8.662 6.194 1.00 0.00 H new ATOM 0 HA MET A 7 -9.732 6.845 7.461 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.172 7.130 8.092 1.00 0.00 H new ATOM 0 HB3 MET A 7 -12.625 6.438 6.546 1.00 0.00 H new ATOM 0 HG2 MET A 7 -11.049 4.434 7.241 1.00 0.00 H new ATOM 0 HG3 MET A 7 -11.187 5.086 8.861 1.00 0.00 H new ATOM 0 HE1 MET A 7 -13.948 2.295 6.833 1.00 0.00 H new ATOM 0 HE2 MET A 7 -12.841 3.329 5.899 1.00 0.00 H new ATOM 0 HE3 MET A 7 -12.208 2.301 7.206 1.00 0.00 H new ATOM 116 N ALA A 8 -10.780 6.245 4.395 1.00 0.00 N ATOM 117 CA ALA A 8 -10.493 5.411 3.191 1.00 0.00 C ATOM 118 C ALA A 8 -9.046 5.604 2.712 1.00 0.00 C ATOM 119 O ALA A 8 -8.462 4.714 2.132 1.00 0.00 O ATOM 120 CB ALA A 8 -11.450 5.803 2.065 1.00 0.00 C ATOM 0 H ALA A 8 -11.482 6.972 4.257 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.631 4.364 3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.243 5.196 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.478 5.637 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.312 6.856 1.820 1.00 0.00 H new ATOM 126 N ASP A 9 -8.469 6.757 2.908 1.00 0.00 N ATOM 127 CA ASP A 9 -7.078 6.972 2.414 1.00 0.00 C ATOM 128 C ASP A 9 -6.071 6.140 3.223 1.00 0.00 C ATOM 129 O ASP A 9 -5.156 5.572 2.656 1.00 0.00 O ATOM 130 CB ASP A 9 -6.723 8.456 2.517 1.00 0.00 C ATOM 131 CG ASP A 9 -5.271 8.668 2.090 1.00 0.00 C ATOM 132 OD1 ASP A 9 -4.392 8.196 2.792 1.00 0.00 O ATOM 133 OD2 ASP A 9 -5.061 9.299 1.068 1.00 0.00 O ATOM 0 H ASP A 9 -8.894 7.553 3.384 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.027 6.652 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.388 9.044 1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.866 8.804 3.540 1.00 0.00 H new ATOM 138 N THR A 10 -6.221 6.075 4.532 1.00 0.00 N ATOM 139 CA THR A 10 -5.266 5.272 5.374 1.00 0.00 C ATOM 140 C THR A 10 -5.563 3.769 5.219 1.00 0.00 C ATOM 141 O THR A 10 -5.751 3.058 6.186 1.00 0.00 O ATOM 142 CB THR A 10 -5.406 5.671 6.846 1.00 0.00 C ATOM 143 OG1 THR A 10 -5.907 6.998 6.932 1.00 0.00 O ATOM 144 CG2 THR A 10 -4.037 5.596 7.526 1.00 0.00 C ATOM 0 H THR A 10 -6.963 6.543 5.052 1.00 0.00 H new ATOM 0 HA THR A 10 -4.248 5.474 5.040 1.00 0.00 H new ATOM 0 HB THR A 10 -6.097 4.990 7.344 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.998 7.253 7.874 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.135 5.880 8.574 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.653 4.578 7.460 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.346 6.277 7.029 1.00 0.00 H new ATOM 152 N PHE A 11 -5.612 3.302 4.006 1.00 0.00 N ATOM 153 CA PHE A 11 -5.901 1.878 3.707 1.00 0.00 C ATOM 154 C PHE A 11 -6.057 1.820 2.190 1.00 0.00 C ATOM 155 O PHE A 11 -5.208 1.327 1.474 1.00 0.00 O ATOM 156 CB PHE A 11 -7.210 1.457 4.393 1.00 0.00 C ATOM 157 CG PHE A 11 -7.217 -0.034 4.636 1.00 0.00 C ATOM 158 CD1 PHE A 11 -6.217 -0.624 5.417 1.00 0.00 C ATOM 159 CD2 PHE A 11 -8.235 -0.824 4.088 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.234 -2.005 5.650 1.00 0.00 C ATOM 161 CE2 PHE A 11 -8.253 -2.204 4.322 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.253 -2.794 5.103 1.00 0.00 C ATOM 0 H PHE A 11 -5.457 3.875 3.177 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.118 1.209 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.320 1.987 5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.061 1.735 3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.432 -0.015 5.840 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.006 -0.369 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.461 -2.461 6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.039 -2.813 3.900 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.267 -3.859 5.284 1.00 0.00 H new ATOM 172 N LEU A 12 -7.126 2.388 1.701 1.00 0.00 N ATOM 173 CA LEU A 12 -7.363 2.461 0.233 1.00 0.00 C ATOM 174 C LEU A 12 -6.490 3.573 -0.393 1.00 0.00 C ATOM 175 O LEU A 12 -6.763 4.033 -1.481 1.00 0.00 O ATOM 176 CB LEU A 12 -8.836 2.784 -0.020 1.00 0.00 C ATOM 177 CG LEU A 12 -9.589 1.494 -0.360 1.00 0.00 C ATOM 178 CD1 LEU A 12 -9.565 0.559 0.851 1.00 0.00 C ATOM 179 CD2 LEU A 12 -11.039 1.827 -0.716 1.00 0.00 C ATOM 0 H LEU A 12 -7.859 2.812 2.270 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.103 1.504 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.274 3.252 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.928 3.498 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.110 1.006 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.100 -0.360 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.532 0.321 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.045 1.049 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.574 0.909 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.519 2.314 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.058 2.496 -1.577 1.00 0.00 H new ATOM 191 N ASP A 13 -5.480 4.045 0.300 1.00 0.00 N ATOM 192 CA ASP A 13 -4.633 5.150 -0.251 1.00 0.00 C ATOM 193 C ASP A 13 -4.331 4.940 -1.742 1.00 0.00 C ATOM 194 O ASP A 13 -4.726 5.733 -2.573 1.00 0.00 O ATOM 195 CB ASP A 13 -3.311 5.210 0.523 1.00 0.00 C ATOM 196 CG ASP A 13 -2.936 3.813 1.025 1.00 0.00 C ATOM 197 OD1 ASP A 13 -3.412 3.439 2.083 1.00 0.00 O ATOM 198 OD2 ASP A 13 -2.176 3.144 0.344 1.00 0.00 O ATOM 0 H ASP A 13 -5.206 3.712 1.224 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.184 6.084 -0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.521 5.599 -0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.404 5.896 1.365 1.00 0.00 H new ATOM 203 N ASN A 14 -3.626 3.897 -2.095 1.00 0.00 N ATOM 204 CA ASN A 14 -3.303 3.681 -3.539 1.00 0.00 C ATOM 205 C ASN A 14 -4.239 2.625 -4.125 1.00 0.00 C ATOM 206 O ASN A 14 -3.916 1.945 -5.078 1.00 0.00 O ATOM 207 CB ASN A 14 -1.850 3.224 -3.685 1.00 0.00 C ATOM 208 CG ASN A 14 -1.706 1.794 -3.164 1.00 0.00 C ATOM 209 OD1 ASN A 14 -1.584 1.579 -1.975 1.00 0.00 O ATOM 210 ND2 ASN A 14 -1.713 0.801 -4.010 1.00 0.00 N ATOM 0 H ASN A 14 -3.263 3.191 -1.454 1.00 0.00 H new ATOM 0 HA ASN A 14 -3.437 4.618 -4.079 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.546 3.273 -4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.191 3.892 -3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.616 -0.157 -3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.816 0.982 -5.008 1.00 0.00 H new ATOM 217 N MET A 15 -5.402 2.498 -3.565 1.00 0.00 N ATOM 218 CA MET A 15 -6.383 1.508 -4.077 1.00 0.00 C ATOM 219 C MET A 15 -7.788 2.105 -3.964 1.00 0.00 C ATOM 220 O MET A 15 -8.516 1.833 -3.032 1.00 0.00 O ATOM 221 CB MET A 15 -6.299 0.224 -3.250 1.00 0.00 C ATOM 222 CG MET A 15 -5.534 -0.843 -4.035 1.00 0.00 C ATOM 223 SD MET A 15 -6.703 -2.049 -4.710 1.00 0.00 S ATOM 224 CE MET A 15 -6.671 -3.205 -3.319 1.00 0.00 C ATOM 0 H MET A 15 -5.720 3.044 -2.764 1.00 0.00 H new ATOM 0 HA MET A 15 -6.163 1.272 -5.118 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.798 0.422 -2.302 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.301 -0.134 -3.012 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.967 -0.379 -4.842 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.815 -1.342 -3.386 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.641 -3.695 -3.231 1.00 0.00 H new ATOM 0 HE2 MET A 15 -5.899 -3.956 -3.487 1.00 0.00 H new ATOM 0 HE3 MET A 15 -6.454 -2.662 -2.399 1.00 0.00 H new ATOM 234 N ARG A 16 -8.167 2.931 -4.900 1.00 0.00 N ATOM 235 CA ARG A 16 -9.518 3.558 -4.842 1.00 0.00 C ATOM 236 C ARG A 16 -10.572 2.499 -4.535 1.00 0.00 C ATOM 237 O ARG A 16 -11.316 2.596 -3.579 1.00 0.00 O ATOM 238 CB ARG A 16 -9.833 4.207 -6.191 1.00 0.00 C ATOM 239 CG ARG A 16 -10.991 5.193 -6.029 1.00 0.00 C ATOM 240 CD ARG A 16 -12.264 4.586 -6.624 1.00 0.00 C ATOM 241 NE ARG A 16 -12.084 4.389 -8.091 1.00 0.00 N ATOM 242 CZ ARG A 16 -12.620 3.357 -8.681 1.00 0.00 C ATOM 243 NH1 ARG A 16 -13.639 2.750 -8.136 1.00 0.00 N ATOM 244 NH2 ARG A 16 -12.135 2.926 -9.814 1.00 0.00 N ATOM 0 H ARG A 16 -7.599 3.199 -5.704 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.528 4.313 -4.056 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.952 4.724 -6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.094 3.442 -6.922 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.143 5.422 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.755 6.133 -6.529 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.484 3.633 -6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.114 5.242 -6.436 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.542 5.062 -8.633 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.016 3.083 -7.249 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.058 1.943 -8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.336 3.397 -10.239 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.555 2.119 -10.274 1.00 0.00 H new ATOM 258 N VAL A 17 -10.643 1.501 -5.355 1.00 0.00 N ATOM 259 CA VAL A 17 -11.650 0.420 -5.155 1.00 0.00 C ATOM 260 C VAL A 17 -11.322 -0.385 -3.898 1.00 0.00 C ATOM 261 O VAL A 17 -12.168 -1.046 -3.330 1.00 0.00 O ATOM 262 CB VAL A 17 -11.635 -0.508 -6.370 1.00 0.00 C ATOM 263 CG1 VAL A 17 -10.274 -1.205 -6.462 1.00 0.00 C ATOM 264 CG2 VAL A 17 -12.734 -1.563 -6.223 1.00 0.00 C ATOM 0 H VAL A 17 -10.041 1.380 -6.169 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.637 0.868 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.810 0.076 -7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.262 -1.867 -7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.488 -0.457 -6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.102 -1.788 -5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.722 -2.224 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.559 -2.147 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.704 -1.071 -6.155 1.00 0.00 H new ATOM 274 N GLY A 18 -10.100 -0.335 -3.465 1.00 0.00 N ATOM 275 CA GLY A 18 -9.702 -1.099 -2.246 1.00 0.00 C ATOM 276 C GLY A 18 -10.062 -2.576 -2.430 1.00 0.00 C ATOM 277 O GLY A 18 -10.789 -2.926 -3.338 1.00 0.00 O ATOM 0 H GLY A 18 -9.351 0.203 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.631 -0.994 -2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.209 -0.696 -1.369 1.00 0.00 H new ATOM 281 N PRO A 19 -9.541 -3.400 -1.559 1.00 0.00 N ATOM 282 CA PRO A 19 -9.788 -4.852 -1.595 1.00 0.00 C ATOM 283 C PRO A 19 -11.179 -5.170 -1.035 1.00 0.00 C ATOM 284 O PRO A 19 -11.640 -4.545 -0.101 1.00 0.00 O ATOM 285 CB PRO A 19 -8.687 -5.427 -0.700 1.00 0.00 C ATOM 286 CG PRO A 19 -8.236 -4.276 0.231 1.00 0.00 C ATOM 287 CD PRO A 19 -8.657 -2.963 -0.459 1.00 0.00 C ATOM 0 HA PRO A 19 -9.767 -5.268 -2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.059 -6.272 -0.121 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.852 -5.793 -1.298 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.703 -4.365 1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.158 -4.304 0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.178 -2.300 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.793 -2.416 -0.836 1.00 0.00 H new ATOM 294 N ARG A 20 -11.852 -6.133 -1.602 1.00 0.00 N ATOM 295 CA ARG A 20 -13.212 -6.484 -1.104 1.00 0.00 C ATOM 296 C ARG A 20 -13.190 -7.886 -0.492 1.00 0.00 C ATOM 297 O ARG A 20 -14.113 -8.293 0.186 1.00 0.00 O ATOM 298 CB ARG A 20 -14.205 -6.453 -2.269 1.00 0.00 C ATOM 299 CG ARG A 20 -14.412 -5.007 -2.727 1.00 0.00 C ATOM 300 CD ARG A 20 -15.469 -4.966 -3.832 1.00 0.00 C ATOM 301 NE ARG A 20 -16.762 -4.487 -3.266 1.00 0.00 N ATOM 302 CZ ARG A 20 -17.237 -3.322 -3.618 1.00 0.00 C ATOM 303 NH1 ARG A 20 -18.225 -3.248 -4.466 1.00 0.00 N ATOM 304 NH2 ARG A 20 -16.722 -2.231 -3.120 1.00 0.00 N ATOM 0 H ARG A 20 -11.519 -6.692 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.516 -5.763 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.831 -7.057 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.156 -6.888 -1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.727 -4.390 -1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.473 -4.593 -3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.145 -4.305 -4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.595 -5.958 -4.266 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.276 -5.069 -2.604 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.628 -4.100 -4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.595 -2.338 -4.740 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.949 -2.288 -2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.092 -1.321 -3.394 1.00 0.00 H new ATOM 318 N THR A 21 -12.146 -8.631 -0.725 1.00 0.00 N ATOM 319 CA THR A 21 -12.073 -10.006 -0.156 1.00 0.00 C ATOM 320 C THR A 21 -10.879 -10.105 0.792 1.00 0.00 C ATOM 321 O THR A 21 -10.296 -9.111 1.179 1.00 0.00 O ATOM 322 CB THR A 21 -11.908 -11.019 -1.289 1.00 0.00 C ATOM 323 OG1 THR A 21 -10.625 -10.862 -1.879 1.00 0.00 O ATOM 324 CG2 THR A 21 -12.991 -10.786 -2.344 1.00 0.00 C ATOM 0 H THR A 21 -11.341 -8.348 -1.284 1.00 0.00 H new ATOM 0 HA THR A 21 -12.990 -10.219 0.393 1.00 0.00 H new ATOM 0 HB THR A 21 -12.003 -12.030 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.517 -11.512 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.873 -11.508 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.974 -10.907 -1.889 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.898 -9.776 -2.744 1.00 0.00 H new ATOM 332 N TYR A 22 -10.508 -11.296 1.173 1.00 0.00 N ATOM 333 CA TYR A 22 -9.350 -11.452 2.098 1.00 0.00 C ATOM 334 C TYR A 22 -8.867 -12.906 2.106 1.00 0.00 C ATOM 335 O TYR A 22 -7.715 -13.177 1.855 1.00 0.00 O ATOM 336 CB TYR A 22 -9.768 -11.039 3.510 1.00 0.00 C ATOM 337 CG TYR A 22 -8.643 -10.268 4.160 1.00 0.00 C ATOM 338 CD1 TYR A 22 -8.318 -8.985 3.704 1.00 0.00 C ATOM 339 CD2 TYR A 22 -7.926 -10.837 5.219 1.00 0.00 C ATOM 340 CE1 TYR A 22 -7.273 -8.272 4.305 1.00 0.00 C ATOM 341 CE2 TYR A 22 -6.882 -10.123 5.821 1.00 0.00 C ATOM 342 CZ TYR A 22 -6.555 -8.842 5.363 1.00 0.00 C ATOM 343 OH TYR A 22 -5.524 -8.140 5.955 1.00 0.00 O ATOM 0 H TYR A 22 -10.955 -12.166 0.885 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.534 -10.815 1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -10.668 -10.426 3.470 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.009 -11.921 4.103 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.873 -8.545 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.178 -11.826 5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -7.021 -7.283 3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.329 -10.561 6.639 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.641 -8.145 6.928 1.00 0.00 H new ATOM 353 N ALA A 23 -9.726 -13.843 2.407 1.00 0.00 N ATOM 354 CA ALA A 23 -9.287 -15.270 2.440 1.00 0.00 C ATOM 355 C ALA A 23 -8.363 -15.570 1.261 1.00 0.00 C ATOM 356 O ALA A 23 -7.377 -16.273 1.384 1.00 0.00 O ATOM 357 CB ALA A 23 -10.512 -16.186 2.376 1.00 0.00 C ATOM 0 H ALA A 23 -10.708 -13.684 2.631 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.744 -15.449 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.190 -17.227 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.160 -15.987 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.060 -15.997 1.453 1.00 0.00 H new ATOM 363 N ASP A 24 -8.678 -15.041 0.126 1.00 0.00 N ATOM 364 CA ASP A 24 -7.835 -15.282 -1.081 1.00 0.00 C ATOM 365 C ASP A 24 -6.572 -14.419 -1.014 1.00 0.00 C ATOM 366 O ASP A 24 -5.468 -14.918 -1.106 1.00 0.00 O ATOM 367 CB ASP A 24 -8.629 -14.930 -2.339 1.00 0.00 C ATOM 368 CG ASP A 24 -8.395 -16.001 -3.407 1.00 0.00 C ATOM 369 OD1 ASP A 24 -7.263 -16.144 -3.837 1.00 0.00 O ATOM 370 OD2 ASP A 24 -9.354 -16.660 -3.776 1.00 0.00 O ATOM 0 H ASP A 24 -9.490 -14.444 -0.028 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.549 -16.333 -1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.691 -14.862 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.322 -13.954 -2.714 1.00 0.00 H new ATOM 375 N VAL A 25 -6.723 -13.131 -0.854 1.00 0.00 N ATOM 376 CA VAL A 25 -5.526 -12.245 -0.778 1.00 0.00 C ATOM 377 C VAL A 25 -4.474 -12.902 0.115 1.00 0.00 C ATOM 378 O VAL A 25 -3.361 -13.159 -0.301 1.00 0.00 O ATOM 379 CB VAL A 25 -5.932 -10.894 -0.185 1.00 0.00 C ATOM 380 CG1 VAL A 25 -4.685 -10.037 0.039 1.00 0.00 C ATOM 381 CG2 VAL A 25 -6.877 -10.178 -1.154 1.00 0.00 C ATOM 0 H VAL A 25 -7.622 -12.655 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.115 -12.092 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.437 -11.052 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.976 -9.075 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.012 -10.547 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.178 -9.877 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.168 -9.215 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.371 -10.020 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.766 -10.788 -1.313 1.00 0.00 H new ATOM 391 N ARG A 26 -4.821 -13.181 1.340 1.00 0.00 N ATOM 392 CA ARG A 26 -3.852 -13.827 2.269 1.00 0.00 C ATOM 393 C ARG A 26 -3.486 -15.220 1.748 1.00 0.00 C ATOM 394 O ARG A 26 -2.375 -15.679 1.915 1.00 0.00 O ATOM 395 CB ARG A 26 -4.485 -13.957 3.656 1.00 0.00 C ATOM 396 CG ARG A 26 -3.386 -13.946 4.721 1.00 0.00 C ATOM 397 CD ARG A 26 -3.075 -12.502 5.119 1.00 0.00 C ATOM 398 NE ARG A 26 -3.932 -12.107 6.274 1.00 0.00 N ATOM 399 CZ ARG A 26 -3.392 -11.564 7.332 1.00 0.00 C ATOM 400 NH1 ARG A 26 -2.435 -12.184 7.965 1.00 0.00 N ATOM 401 NH2 ARG A 26 -3.809 -10.403 7.758 1.00 0.00 N ATOM 0 H ARG A 26 -5.739 -12.988 1.740 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.952 -13.215 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.181 -13.136 3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.059 -14.881 3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.706 -14.514 5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.488 -14.430 4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.022 -12.406 5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.253 -11.835 4.276 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.940 -12.261 6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.109 -13.092 7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.012 -11.761 8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.558 -9.918 7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.386 -9.981 8.585 1.00 0.00 H new ATOM 415 N ASP A 27 -4.412 -15.902 1.124 1.00 0.00 N ATOM 416 CA ASP A 27 -4.101 -17.264 0.602 1.00 0.00 C ATOM 417 C ASP A 27 -2.965 -17.172 -0.418 1.00 0.00 C ATOM 418 O ASP A 27 -2.239 -18.122 -0.640 1.00 0.00 O ATOM 419 CB ASP A 27 -5.341 -17.855 -0.070 1.00 0.00 C ATOM 420 CG ASP A 27 -5.054 -19.303 -0.478 1.00 0.00 C ATOM 421 OD1 ASP A 27 -5.212 -20.176 0.357 1.00 0.00 O ATOM 422 OD2 ASP A 27 -4.683 -19.511 -1.621 1.00 0.00 O ATOM 0 H ASP A 27 -5.364 -15.576 0.955 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.798 -17.906 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.190 -17.819 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.610 -17.265 -0.946 1.00 0.00 H new ATOM 427 N GLU A 28 -2.803 -16.037 -1.040 1.00 0.00 N ATOM 428 CA GLU A 28 -1.710 -15.890 -2.043 1.00 0.00 C ATOM 429 C GLU A 28 -0.367 -16.106 -1.351 1.00 0.00 C ATOM 430 O GLU A 28 0.576 -16.597 -1.943 1.00 0.00 O ATOM 431 CB GLU A 28 -1.752 -14.483 -2.647 1.00 0.00 C ATOM 432 CG GLU A 28 -2.730 -14.457 -3.822 1.00 0.00 C ATOM 433 CD GLU A 28 -3.126 -13.010 -4.123 1.00 0.00 C ATOM 434 OE1 GLU A 28 -3.170 -12.223 -3.191 1.00 0.00 O ATOM 435 OE2 GLU A 28 -3.379 -12.713 -5.279 1.00 0.00 O ATOM 0 H GLU A 28 -3.378 -15.207 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.839 -16.626 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.058 -13.761 -1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.757 -14.191 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.272 -14.910 -4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.616 -15.046 -3.585 1.00 0.00 H new ATOM 442 N ILE A 29 -0.269 -15.742 -0.101 1.00 0.00 N ATOM 443 CA ILE A 29 1.021 -15.922 0.630 1.00 0.00 C ATOM 444 C ILE A 29 1.379 -17.406 0.803 1.00 0.00 C ATOM 445 O ILE A 29 2.357 -17.742 1.438 1.00 0.00 O ATOM 446 CB ILE A 29 0.924 -15.258 2.002 1.00 0.00 C ATOM 447 CG1 ILE A 29 2.321 -15.170 2.624 1.00 0.00 C ATOM 448 CG2 ILE A 29 0.014 -16.094 2.903 1.00 0.00 C ATOM 449 CD1 ILE A 29 2.233 -14.466 3.978 1.00 0.00 C ATOM 0 H ILE A 29 -1.024 -15.328 0.446 1.00 0.00 H new ATOM 0 HA ILE A 29 1.809 -15.456 0.038 1.00 0.00 H new ATOM 0 HB ILE A 29 0.511 -14.255 1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.739 -16.169 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.992 -14.624 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.058 -15.624 3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.979 -16.159 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.430 -17.096 3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.227 -14.403 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.833 -13.461 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.576 -15.031 4.640 1.00 0.00 H new ATOM 461 N ASN A 30 0.618 -18.292 0.238 1.00 0.00 N ATOM 462 CA ASN A 30 0.940 -19.739 0.366 1.00 0.00 C ATOM 463 C ASN A 30 1.842 -20.160 -0.796 1.00 0.00 C ATOM 464 O ASN A 30 2.959 -20.594 -0.600 1.00 0.00 O ATOM 465 CB ASN A 30 -0.348 -20.561 0.333 1.00 0.00 C ATOM 466 CG ASN A 30 0.003 -22.050 0.275 1.00 0.00 C ATOM 467 OD1 ASN A 30 0.556 -22.517 -0.699 1.00 0.00 O ATOM 468 ND2 ASN A 30 -0.295 -22.818 1.288 1.00 0.00 N ATOM 0 H ASN A 30 -0.216 -18.079 -0.309 1.00 0.00 H new ATOM 0 HA ASN A 30 1.452 -19.913 1.312 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.949 -20.352 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.948 -20.283 -0.533 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.063 -23.811 1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.760 -22.425 2.107 1.00 0.00 H new ATOM 475 N LYS A 31 1.365 -20.040 -2.007 1.00 0.00 N ATOM 476 CA LYS A 31 2.198 -20.441 -3.176 1.00 0.00 C ATOM 477 C LYS A 31 3.176 -19.319 -3.538 1.00 0.00 C ATOM 478 O LYS A 31 4.116 -19.527 -4.277 1.00 0.00 O ATOM 479 CB LYS A 31 1.292 -20.724 -4.376 1.00 0.00 C ATOM 480 CG LYS A 31 0.212 -21.731 -3.977 1.00 0.00 C ATOM 481 CD LYS A 31 -0.364 -22.386 -5.236 1.00 0.00 C ATOM 482 CE LYS A 31 0.095 -23.843 -5.311 1.00 0.00 C ATOM 483 NZ LYS A 31 -0.557 -24.626 -4.223 1.00 0.00 N ATOM 0 H LYS A 31 0.437 -19.683 -2.236 1.00 0.00 H new ATOM 0 HA LYS A 31 2.761 -21.338 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.831 -19.799 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.881 -21.117 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.633 -22.491 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.580 -21.230 -3.420 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.453 -22.337 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.035 -21.844 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.161 -24.267 -6.282 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.179 -23.899 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.651 -25.619 -4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.024 -24.575 -3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.499 -24.232 -4.028 1.00 0.00 H new ATOM 497 N ARG A 32 2.970 -18.131 -3.035 1.00 0.00 N ATOM 498 CA ARG A 32 3.903 -17.019 -3.374 1.00 0.00 C ATOM 499 C ARG A 32 5.042 -16.972 -2.351 1.00 0.00 C ATOM 500 O ARG A 32 5.386 -15.927 -1.836 1.00 0.00 O ATOM 501 CB ARG A 32 3.143 -15.687 -3.382 1.00 0.00 C ATOM 502 CG ARG A 32 2.925 -15.198 -1.949 1.00 0.00 C ATOM 503 CD ARG A 32 3.763 -13.942 -1.704 1.00 0.00 C ATOM 504 NE ARG A 32 2.879 -12.841 -1.229 1.00 0.00 N ATOM 505 CZ ARG A 32 3.384 -11.671 -0.947 1.00 0.00 C ATOM 506 NH1 ARG A 32 4.657 -11.556 -0.679 1.00 0.00 N ATOM 507 NH2 ARG A 32 2.619 -10.615 -0.934 1.00 0.00 N ATOM 0 H ARG A 32 2.203 -17.884 -2.410 1.00 0.00 H new ATOM 0 HA ARG A 32 4.324 -17.190 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.704 -14.943 -3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.183 -15.810 -3.883 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.870 -14.981 -1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.205 -15.978 -1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.537 -14.147 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.270 -13.645 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 32 1.877 -13.002 -1.124 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.257 -12.381 -0.690 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.051 -10.641 -0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.625 -10.703 -1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.015 -9.701 -0.713 1.00 0.00 H new ATOM 521 N GLY A 33 5.632 -18.098 -2.057 1.00 0.00 N ATOM 522 CA GLY A 33 6.751 -18.123 -1.073 1.00 0.00 C ATOM 523 C GLY A 33 8.002 -17.516 -1.708 1.00 0.00 C ATOM 524 O GLY A 33 8.244 -16.328 -1.616 1.00 0.00 O ATOM 0 H GLY A 33 5.387 -19.004 -2.457 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.476 -17.563 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.950 -19.148 -0.759 1.00 0.00 H new ATOM 528 N ARG A 34 8.802 -18.323 -2.353 1.00 0.00 N ATOM 529 CA ARG A 34 10.038 -17.792 -2.994 1.00 0.00 C ATOM 530 C ARG A 34 9.782 -17.581 -4.488 1.00 0.00 C ATOM 531 O ARG A 34 8.671 -17.214 -4.832 1.00 0.00 O ATOM 532 CB ARG A 34 11.183 -18.791 -2.803 1.00 0.00 C ATOM 533 CG ARG A 34 10.777 -20.152 -3.371 1.00 0.00 C ATOM 534 CD ARG A 34 11.887 -20.676 -4.285 1.00 0.00 C ATOM 535 NE ARG A 34 13.196 -20.588 -3.580 1.00 0.00 N ATOM 536 CZ ARG A 34 14.220 -21.273 -4.012 1.00 0.00 C ATOM 537 NH1 ARG A 34 14.124 -21.978 -5.107 1.00 0.00 N ATOM 538 NH2 ARG A 34 15.344 -21.252 -3.348 1.00 0.00 N ATOM 539 OXT ARG A 34 10.702 -17.789 -5.263 1.00 0.00 O ATOM 0 H ARG A 34 8.652 -19.326 -2.463 1.00 0.00 H new ATOM 0 HA ARG A 34 10.310 -16.842 -2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.081 -18.430 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.424 -18.885 -1.744 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.596 -20.857 -2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.845 -20.062 -3.928 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.683 -21.709 -4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.919 -20.094 -5.206 1.00 0.00 H new ATOM 0 HE ARG A 34 13.293 -19.992 -2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.247 -21.995 -5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.926 -22.512 -5.442 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.421 -20.701 -2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.145 -21.787 -3.684 1.00 0.00 H new TER 553 ARG A 34