USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 SER OG : rot -100:sc= -0.243! USER MOD Set 1.2: A 32 THR OG1 : rot -115:sc= -0.0256! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 17 THR OG1 : rot 180:sc=0.000284 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.32) USER MOD Single : A 37 THR OG1 : rot 81:sc= 0.0225 USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 4 -5.136 -17.627 -14.198 1.00 0.00 N ATOM 45 CA CYS A 4 -4.617 -17.946 -12.838 1.00 0.00 C ATOM 46 C CYS A 4 -4.539 -19.464 -12.661 1.00 0.00 C ATOM 47 O CYS A 4 -4.801 -20.220 -13.575 1.00 0.00 O ATOM 48 CB CYS A 4 -5.559 -17.362 -11.782 1.00 0.00 C ATOM 49 SG CYS A 4 -7.164 -18.192 -11.887 1.00 0.00 S ATOM 0 HA CYS A 4 -3.623 -17.514 -12.721 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.134 -17.492 -10.787 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.680 -16.290 -11.939 1.00 0.00 H new ATOM 54 N ILE A 5 -4.180 -19.914 -11.490 1.00 0.00 N ATOM 55 CA ILE A 5 -4.086 -21.381 -11.254 1.00 0.00 C ATOM 56 C ILE A 5 -5.396 -21.881 -10.640 1.00 0.00 C ATOM 57 O ILE A 5 -5.497 -22.076 -9.446 1.00 0.00 O ATOM 58 CB ILE A 5 -2.930 -21.667 -10.295 1.00 0.00 C ATOM 59 CG1 ILE A 5 -1.781 -20.699 -10.582 1.00 0.00 C ATOM 60 CG2 ILE A 5 -2.444 -23.104 -10.493 1.00 0.00 C ATOM 61 CD1 ILE A 5 -0.637 -20.967 -9.605 1.00 0.00 C ATOM 0 H ILE A 5 -3.948 -19.329 -10.687 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.909 -21.894 -12.199 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.270 -21.537 -9.268 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.434 -20.822 -11.608 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.125 -19.669 -10.483 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.620 -23.307 -9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.262 -23.796 -10.291 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.103 -23.235 -11.520 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.183 -20.278 -9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.989 -20.822 -8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.288 -21.993 -9.726 1.00 0.00 H new ATOM 73 N ALA A 6 -6.398 -22.087 -11.449 1.00 0.00 N ATOM 74 CA ALA A 6 -7.700 -22.572 -10.915 1.00 0.00 C ATOM 75 C ALA A 6 -7.761 -24.099 -11.012 1.00 0.00 C ATOM 76 O ALA A 6 -8.770 -24.709 -10.719 1.00 0.00 O ATOM 77 CB ALA A 6 -8.843 -21.963 -11.731 1.00 0.00 C ATOM 0 H ALA A 6 -6.371 -21.940 -12.458 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.796 -22.273 -9.871 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.797 -22.317 -11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.803 -20.876 -11.659 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.744 -22.261 -12.775 1.00 0.00 H new ATOM 83 N GLU A 7 -6.690 -24.722 -11.419 1.00 0.00 N ATOM 84 CA GLU A 7 -6.691 -26.204 -11.534 1.00 0.00 C ATOM 85 C GLU A 7 -6.729 -26.825 -10.135 1.00 0.00 C ATOM 86 O GLU A 7 -6.586 -26.145 -9.139 1.00 0.00 O ATOM 87 CB GLU A 7 -5.423 -26.657 -12.257 1.00 0.00 C ATOM 88 CG GLU A 7 -5.038 -25.621 -13.316 1.00 0.00 C ATOM 89 CD GLU A 7 -4.127 -26.273 -14.357 1.00 0.00 C ATOM 90 OE1 GLU A 7 -4.650 -26.908 -15.258 1.00 0.00 O ATOM 91 OE2 GLU A 7 -2.922 -26.127 -14.235 1.00 0.00 O ATOM 0 H GLU A 7 -5.814 -24.267 -11.677 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.567 -26.525 -12.097 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.609 -26.781 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.586 -27.627 -12.726 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.933 -25.226 -13.796 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.529 -24.778 -12.848 1.00 0.00 H new ATOM 98 N ASP A 8 -6.920 -28.114 -10.056 1.00 0.00 N ATOM 99 CA ASP A 8 -6.966 -28.780 -8.725 1.00 0.00 C ATOM 100 C ASP A 8 -5.540 -28.997 -8.217 1.00 0.00 C ATOM 101 O ASP A 8 -4.726 -29.620 -8.870 1.00 0.00 O ATOM 102 CB ASP A 8 -7.675 -30.129 -8.856 1.00 0.00 C ATOM 103 CG ASP A 8 -7.073 -30.911 -10.026 1.00 0.00 C ATOM 104 OD1 ASP A 8 -5.940 -31.346 -9.901 1.00 0.00 O ATOM 105 OD2 ASP A 8 -7.756 -31.061 -11.027 1.00 0.00 O ATOM 0 H ASP A 8 -7.046 -28.734 -10.856 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.510 -28.152 -8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.570 -30.698 -7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.742 -29.977 -9.017 1.00 0.00 H new ATOM 110 N TYR A 9 -5.230 -28.487 -7.056 1.00 0.00 N ATOM 111 CA TYR A 9 -3.854 -28.665 -6.507 1.00 0.00 C ATOM 112 C TYR A 9 -2.843 -28.019 -7.453 1.00 0.00 C ATOM 113 O TYR A 9 -1.652 -28.238 -7.349 1.00 0.00 O ATOM 114 CB TYR A 9 -3.547 -30.156 -6.369 1.00 0.00 C ATOM 115 CG TYR A 9 -4.636 -30.818 -5.525 1.00 0.00 C ATOM 116 CD1 TYR A 9 -5.785 -31.298 -6.118 1.00 0.00 C ATOM 117 CD2 TYR A 9 -4.485 -30.943 -4.160 1.00 0.00 C ATOM 118 CE1 TYR A 9 -6.769 -31.895 -5.358 1.00 0.00 C ATOM 119 CE2 TYR A 9 -5.469 -31.541 -3.398 1.00 0.00 C ATOM 120 CZ TYR A 9 -6.620 -32.022 -3.992 1.00 0.00 C ATOM 121 OH TYR A 9 -7.603 -32.620 -3.231 1.00 0.00 O ATOM 0 H TYR A 9 -5.868 -27.955 -6.464 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.789 -28.192 -5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.499 -30.622 -7.353 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.572 -30.297 -5.902 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.915 -31.206 -7.186 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.590 -30.570 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -7.664 -32.266 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.338 -31.633 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.330 -32.625 -2.290 1.00 0.00 H new ATOM 131 N GLY A 10 -3.307 -27.223 -8.377 1.00 0.00 N ATOM 132 CA GLY A 10 -2.372 -26.564 -9.329 1.00 0.00 C ATOM 133 C GLY A 10 -1.167 -26.021 -8.559 1.00 0.00 C ATOM 134 O GLY A 10 -1.311 -25.375 -7.539 1.00 0.00 O ATOM 0 H GLY A 10 -4.293 -27.001 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.044 -27.276 -10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.879 -25.753 -9.852 1.00 0.00 H new ATOM 138 N LYS A 11 0.020 -26.281 -9.034 1.00 0.00 N ATOM 139 CA LYS A 11 1.229 -25.777 -8.326 1.00 0.00 C ATOM 140 C LYS A 11 1.082 -24.272 -8.089 1.00 0.00 C ATOM 141 O LYS A 11 0.422 -23.579 -8.838 1.00 0.00 O ATOM 142 CB LYS A 11 2.472 -26.047 -9.179 1.00 0.00 C ATOM 143 CG LYS A 11 2.377 -25.259 -10.487 1.00 0.00 C ATOM 144 CD LYS A 11 2.051 -26.215 -11.636 1.00 0.00 C ATOM 145 CE LYS A 11 2.924 -25.876 -12.846 1.00 0.00 C ATOM 146 NZ LYS A 11 3.658 -27.095 -13.288 1.00 0.00 N ATOM 0 H LYS A 11 0.204 -26.820 -9.880 1.00 0.00 H new ATOM 0 HA LYS A 11 1.334 -26.288 -7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.370 -25.758 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.556 -27.113 -9.390 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.606 -24.493 -10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.318 -24.745 -10.683 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.225 -27.245 -11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.997 -26.135 -11.901 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.305 -25.497 -13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.630 -25.087 -12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.251 -26.864 -14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.260 -27.438 -12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.976 -27.835 -13.550 1.00 0.00 H new ATOM 160 N CYS A 12 1.690 -23.761 -7.054 1.00 0.00 N ATOM 161 CA CYS A 12 1.580 -22.302 -6.775 1.00 0.00 C ATOM 162 C CYS A 12 2.846 -21.810 -6.072 1.00 0.00 C ATOM 163 O CYS A 12 3.844 -22.502 -6.007 1.00 0.00 O ATOM 164 CB CYS A 12 0.373 -22.053 -5.870 1.00 0.00 C ATOM 165 SG CYS A 12 0.583 -22.984 -4.331 1.00 0.00 S ATOM 0 H CYS A 12 2.257 -24.290 -6.391 1.00 0.00 H new ATOM 0 HA CYS A 12 1.458 -21.764 -7.715 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.277 -20.989 -5.655 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.544 -22.360 -6.373 1.00 0.00 H new ATOM 170 N THR A 13 2.808 -20.618 -5.545 1.00 0.00 N ATOM 171 CA THR A 13 4.002 -20.067 -4.844 1.00 0.00 C ATOM 172 C THR A 13 3.561 -18.965 -3.876 1.00 0.00 C ATOM 173 O THR A 13 2.764 -18.113 -4.216 1.00 0.00 O ATOM 174 CB THR A 13 4.971 -19.483 -5.874 1.00 0.00 C ATOM 175 OG1 THR A 13 4.817 -20.166 -7.111 1.00 0.00 O ATOM 176 CG2 THR A 13 6.408 -19.640 -5.376 1.00 0.00 C ATOM 0 H THR A 13 1.998 -19.999 -5.570 1.00 0.00 H new ATOM 0 HA THR A 13 4.498 -20.862 -4.288 1.00 0.00 H new ATOM 0 HB THR A 13 4.754 -18.424 -6.015 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.437 -19.791 -7.771 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.096 -19.223 -6.112 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.525 -19.112 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.629 -20.697 -5.231 1.00 0.00 H new ATOM 184 N TRP A 14 4.072 -18.971 -2.674 1.00 0.00 N ATOM 185 CA TRP A 14 3.676 -17.919 -1.694 1.00 0.00 C ATOM 186 C TRP A 14 4.333 -16.593 -2.080 1.00 0.00 C ATOM 187 O TRP A 14 5.376 -16.234 -1.571 1.00 0.00 O ATOM 188 CB TRP A 14 4.131 -18.325 -0.289 1.00 0.00 C ATOM 189 CG TRP A 14 2.905 -18.513 0.610 1.00 0.00 C ATOM 190 CD1 TRP A 14 1.791 -19.182 0.264 1.00 0.00 C ATOM 191 CD2 TRP A 14 2.784 -18.040 1.849 1.00 0.00 C ATOM 192 NE1 TRP A 14 1.017 -19.083 1.346 1.00 0.00 N ATOM 193 CE2 TRP A 14 1.557 -18.388 2.381 1.00 0.00 C ATOM 194 CE3 TRP A 14 3.675 -17.300 2.602 1.00 0.00 C ATOM 195 CZ2 TRP A 14 1.221 -17.997 3.661 1.00 0.00 C ATOM 196 CZ3 TRP A 14 3.339 -16.910 3.883 1.00 0.00 C ATOM 197 CH2 TRP A 14 2.113 -17.258 4.412 1.00 0.00 C ATOM 0 H TRP A 14 4.744 -19.656 -2.329 1.00 0.00 H new ATOM 0 HA TRP A 14 2.592 -17.806 -1.702 1.00 0.00 H new ATOM 0 HB2 TRP A 14 4.707 -19.249 -0.335 1.00 0.00 H new ATOM 0 HB3 TRP A 14 4.787 -17.561 0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.574 -19.681 -0.669 1.00 0.00 H new ATOM 0 HE1 TRP A 14 0.087 -19.499 1.393 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.635 -17.027 2.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 0.261 -18.269 4.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 4.036 -16.332 4.471 1.00 0.00 H new ATOM 0 HH2 TRP A 14 1.851 -16.952 5.414 1.00 0.00 H new ATOM 208 N GLY A 15 3.729 -15.860 -2.974 1.00 0.00 N ATOM 209 CA GLY A 15 4.318 -14.558 -3.391 1.00 0.00 C ATOM 210 C GLY A 15 4.264 -14.440 -4.917 1.00 0.00 C ATOM 211 O GLY A 15 4.615 -13.422 -5.481 1.00 0.00 O ATOM 0 H GLY A 15 2.853 -16.107 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.770 -13.735 -2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.349 -14.486 -3.046 1.00 0.00 H new ATOM 215 N GLY A 16 3.826 -15.470 -5.589 1.00 0.00 N ATOM 216 CA GLY A 16 3.752 -15.410 -7.077 1.00 0.00 C ATOM 217 C GLY A 16 2.295 -15.553 -7.523 1.00 0.00 C ATOM 218 O GLY A 16 1.426 -14.825 -7.087 1.00 0.00 O ATOM 0 H GLY A 16 3.517 -16.349 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.161 -14.465 -7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.357 -16.205 -7.514 1.00 0.00 H new ATOM 222 N THR A 17 2.022 -16.489 -8.391 1.00 0.00 N ATOM 223 CA THR A 17 0.623 -16.684 -8.870 1.00 0.00 C ATOM 224 C THR A 17 -0.264 -17.134 -7.706 1.00 0.00 C ATOM 225 O THR A 17 -0.052 -18.176 -7.119 1.00 0.00 O ATOM 226 CB THR A 17 0.609 -17.756 -9.962 1.00 0.00 C ATOM 227 OG1 THR A 17 1.640 -17.485 -10.901 1.00 0.00 O ATOM 228 CG2 THR A 17 -0.745 -17.750 -10.673 1.00 0.00 C ATOM 0 H THR A 17 2.709 -17.129 -8.790 1.00 0.00 H new ATOM 0 HA THR A 17 0.243 -15.744 -9.270 1.00 0.00 H new ATOM 0 HB THR A 17 0.773 -18.735 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.634 -18.171 -11.600 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.751 -18.515 -11.450 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.535 -17.959 -9.952 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.915 -16.773 -11.125 1.00 0.00 H new ATOM 236 N LYS A 18 -1.258 -16.357 -7.367 1.00 0.00 N ATOM 237 CA LYS A 18 -2.154 -16.746 -6.242 1.00 0.00 C ATOM 238 C LYS A 18 -3.360 -17.498 -6.799 1.00 0.00 C ATOM 239 O LYS A 18 -3.678 -17.416 -7.968 1.00 0.00 O ATOM 240 CB LYS A 18 -2.610 -15.490 -5.491 1.00 0.00 C ATOM 241 CG LYS A 18 -3.814 -15.799 -4.597 1.00 0.00 C ATOM 242 CD LYS A 18 -3.361 -16.656 -3.412 1.00 0.00 C ATOM 243 CE LYS A 18 -3.408 -15.821 -2.130 1.00 0.00 C ATOM 244 NZ LYS A 18 -2.495 -16.417 -1.115 1.00 0.00 N ATOM 0 H LYS A 18 -1.487 -15.472 -7.820 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.618 -17.394 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.790 -15.106 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.872 -14.709 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.263 -14.872 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.580 -16.324 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.006 -17.529 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.349 -17.024 -3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.112 -14.793 -2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.426 -15.787 -1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.527 -15.850 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.796 -17.390 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.523 -16.428 -1.486 1.00 0.00 H new ATOM 258 N CYS A 19 -4.030 -18.233 -5.964 1.00 0.00 N ATOM 259 CA CYS A 19 -5.222 -19.002 -6.424 1.00 0.00 C ATOM 260 C CYS A 19 -6.347 -18.047 -6.828 1.00 0.00 C ATOM 261 O CYS A 19 -6.404 -16.916 -6.390 1.00 0.00 O ATOM 262 CB CYS A 19 -5.709 -19.902 -5.290 1.00 0.00 C ATOM 263 SG CYS A 19 -5.904 -21.594 -5.902 1.00 0.00 S ATOM 0 H CYS A 19 -3.805 -18.338 -4.975 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.942 -19.606 -7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.997 -19.882 -4.465 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.658 -19.533 -4.901 1.00 0.00 H new ATOM 268 N CYS A 20 -7.248 -18.501 -7.660 1.00 0.00 N ATOM 269 CA CYS A 20 -8.374 -17.629 -8.097 1.00 0.00 C ATOM 270 C CYS A 20 -9.479 -17.663 -7.040 1.00 0.00 C ATOM 271 O CYS A 20 -9.564 -18.582 -6.249 1.00 0.00 O ATOM 272 CB CYS A 20 -8.926 -18.141 -9.430 1.00 0.00 C ATOM 273 SG CYS A 20 -8.391 -17.044 -10.767 1.00 0.00 S ATOM 0 H CYS A 20 -7.251 -19.441 -8.056 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.019 -16.606 -8.220 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.574 -19.156 -9.615 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.015 -18.183 -9.393 1.00 0.00 H new ATOM 278 N ARG A 21 -10.322 -16.666 -7.017 1.00 0.00 N ATOM 279 CA ARG A 21 -11.425 -16.635 -6.012 1.00 0.00 C ATOM 280 C ARG A 21 -10.840 -16.509 -4.601 1.00 0.00 C ATOM 281 O ARG A 21 -11.543 -16.613 -3.616 1.00 0.00 O ATOM 282 CB ARG A 21 -12.255 -17.917 -6.117 1.00 0.00 C ATOM 283 CG ARG A 21 -12.911 -17.982 -7.498 1.00 0.00 C ATOM 284 CD ARG A 21 -14.403 -17.668 -7.369 1.00 0.00 C ATOM 285 NE ARG A 21 -14.601 -16.191 -7.374 1.00 0.00 N ATOM 286 CZ ARG A 21 -15.678 -15.678 -7.906 1.00 0.00 C ATOM 287 NH1 ARG A 21 -16.829 -15.816 -7.310 1.00 0.00 N ATOM 288 NH2 ARG A 21 -15.601 -15.026 -9.033 1.00 0.00 N ATOM 0 H ARG A 21 -10.295 -15.869 -7.653 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.066 -15.776 -6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.620 -18.789 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.017 -17.935 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.435 -17.270 -8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.773 -18.972 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.954 -18.122 -8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.797 -18.096 -6.447 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.895 -15.581 -6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.889 -16.325 -6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.670 -15.415 -7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.700 -14.917 -9.499 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.442 -14.625 -9.449 1.00 0.00 H new ATOM 302 N GLY A 22 -9.557 -16.284 -4.495 1.00 0.00 N ATOM 303 CA GLY A 22 -8.929 -16.151 -3.150 1.00 0.00 C ATOM 304 C GLY A 22 -8.806 -17.522 -2.479 1.00 0.00 C ATOM 305 O GLY A 22 -9.748 -18.026 -1.900 1.00 0.00 O ATOM 0 H GLY A 22 -8.917 -16.187 -5.283 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.943 -15.696 -3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.527 -15.487 -2.527 1.00 0.00 H new ATOM 309 N ARG A 23 -7.652 -18.126 -2.552 1.00 0.00 N ATOM 310 CA ARG A 23 -7.458 -19.462 -1.919 1.00 0.00 C ATOM 311 C ARG A 23 -5.985 -19.604 -1.509 1.00 0.00 C ATOM 312 O ARG A 23 -5.103 -19.340 -2.301 1.00 0.00 O ATOM 313 CB ARG A 23 -7.821 -20.571 -2.910 1.00 0.00 C ATOM 314 CG ARG A 23 -9.016 -20.137 -3.763 1.00 0.00 C ATOM 315 CD ARG A 23 -9.525 -21.334 -4.573 1.00 0.00 C ATOM 316 NE ARG A 23 -10.924 -21.655 -4.171 1.00 0.00 N ATOM 317 CZ ARG A 23 -11.920 -21.320 -4.948 1.00 0.00 C ATOM 318 NH1 ARG A 23 -12.185 -22.028 -6.010 1.00 0.00 N ATOM 319 NH2 ARG A 23 -12.652 -20.277 -4.661 1.00 0.00 N ATOM 0 H ARG A 23 -6.830 -17.750 -3.025 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.102 -19.548 -1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.967 -20.792 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.061 -21.488 -2.371 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.811 -19.751 -3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.724 -19.328 -4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.486 -21.107 -5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.881 -22.198 -4.407 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.104 -22.136 -3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.615 -22.844 -6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.962 -21.766 -6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.447 -19.723 -3.830 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.429 -20.017 -5.268 1.00 0.00 H new ATOM 333 N PRO A 24 -5.758 -20.015 -0.284 1.00 0.00 N ATOM 334 CA PRO A 24 -4.392 -20.193 0.241 1.00 0.00 C ATOM 335 C PRO A 24 -3.676 -21.331 -0.493 1.00 0.00 C ATOM 336 O PRO A 24 -4.189 -21.896 -1.438 1.00 0.00 O ATOM 337 CB PRO A 24 -4.582 -20.552 1.720 1.00 0.00 C ATOM 338 CG PRO A 24 -6.105 -20.676 1.981 1.00 0.00 C ATOM 339 CD PRO A 24 -6.835 -20.331 0.672 1.00 0.00 C ATOM 0 HA PRO A 24 -3.783 -19.299 0.106 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.076 -21.488 1.955 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.145 -19.785 2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.356 -21.686 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.412 -20.000 2.779 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.441 -21.168 0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.508 -19.484 0.805 1.00 0.00 H new ATOM 347 N CYS A 25 -2.491 -21.669 -0.060 1.00 0.00 N ATOM 348 CA CYS A 25 -1.734 -22.766 -0.724 1.00 0.00 C ATOM 349 C CYS A 25 -0.925 -23.526 0.331 1.00 0.00 C ATOM 350 O CYS A 25 0.017 -23.007 0.897 1.00 0.00 O ATOM 351 CB CYS A 25 -0.786 -22.170 -1.765 1.00 0.00 C ATOM 352 SG CYS A 25 -1.202 -22.822 -3.401 1.00 0.00 S ATOM 0 H CYS A 25 -2.014 -21.230 0.728 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.427 -23.449 -1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.864 -21.083 -1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.246 -22.415 -1.515 1.00 0.00 H new ATOM 357 N ARG A 26 -1.284 -24.752 0.599 1.00 0.00 N ATOM 358 CA ARG A 26 -0.536 -25.543 1.616 1.00 0.00 C ATOM 359 C ARG A 26 0.685 -26.202 0.970 1.00 0.00 C ATOM 360 O ARG A 26 0.781 -26.309 -0.236 1.00 0.00 O ATOM 361 CB ARG A 26 -1.452 -26.624 2.194 1.00 0.00 C ATOM 362 CG ARG A 26 -2.525 -25.968 3.065 1.00 0.00 C ATOM 363 CD ARG A 26 -3.581 -27.008 3.446 1.00 0.00 C ATOM 364 NE ARG A 26 -4.927 -26.370 3.437 1.00 0.00 N ATOM 365 CZ ARG A 26 -5.969 -27.035 3.858 1.00 0.00 C ATOM 366 NH1 ARG A 26 -6.379 -28.088 3.205 1.00 0.00 N ATOM 367 NH2 ARG A 26 -6.602 -26.646 4.931 1.00 0.00 N ATOM 0 H ARG A 26 -2.063 -25.240 0.157 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.204 -24.878 2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.918 -27.190 1.388 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.870 -27.331 2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.072 -25.548 3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.990 -25.142 2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.557 -27.842 2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.366 -27.416 4.434 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.035 -25.413 3.102 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.885 -28.392 2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.193 -28.607 3.534 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.283 -25.822 5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.416 -27.166 5.260 1.00 0.00 H new ATOM 381 N CYS A 27 1.619 -26.644 1.767 1.00 0.00 N ATOM 382 CA CYS A 27 2.834 -27.297 1.205 1.00 0.00 C ATOM 383 C CYS A 27 3.191 -28.515 2.057 1.00 0.00 C ATOM 384 O CYS A 27 2.422 -28.948 2.893 1.00 0.00 O ATOM 385 CB CYS A 27 4.002 -26.309 1.219 1.00 0.00 C ATOM 386 SG CYS A 27 3.460 -24.725 0.530 1.00 0.00 S ATOM 0 H CYS A 27 1.593 -26.581 2.785 1.00 0.00 H new ATOM 0 HA CYS A 27 2.637 -27.609 0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.363 -26.170 2.238 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.834 -26.705 0.637 1.00 0.00 H new ATOM 391 N SER A 28 4.350 -29.072 1.851 1.00 0.00 N ATOM 392 CA SER A 28 4.758 -30.263 2.649 1.00 0.00 C ATOM 393 C SER A 28 5.111 -29.832 4.077 1.00 0.00 C ATOM 394 O SER A 28 5.440 -30.647 4.916 1.00 0.00 O ATOM 395 CB SER A 28 5.980 -30.914 2.000 1.00 0.00 C ATOM 396 OG SER A 28 7.064 -29.998 2.011 1.00 0.00 O ATOM 0 H SER A 28 5.034 -28.755 1.164 1.00 0.00 H new ATOM 0 HA SER A 28 3.934 -30.976 2.680 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.251 -31.822 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.748 -31.208 0.976 1.00 0.00 H new ATOM 0 HG SER A 28 7.150 -29.583 1.128 1.00 0.00 H new ATOM 402 N MET A 29 5.052 -28.558 4.356 1.00 0.00 N ATOM 403 CA MET A 29 5.384 -28.072 5.727 1.00 0.00 C ATOM 404 C MET A 29 6.875 -28.283 6.002 1.00 0.00 C ATOM 405 O MET A 29 7.345 -28.077 7.102 1.00 0.00 O ATOM 406 CB MET A 29 4.559 -28.843 6.761 1.00 0.00 C ATOM 407 CG MET A 29 3.072 -28.731 6.412 1.00 0.00 C ATOM 408 SD MET A 29 2.153 -28.167 7.867 1.00 0.00 S ATOM 409 CE MET A 29 0.490 -28.439 7.207 1.00 0.00 C ATOM 0 H MET A 29 4.787 -27.830 3.692 1.00 0.00 H new ATOM 0 HA MET A 29 5.150 -27.010 5.797 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.862 -29.890 6.777 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.741 -28.443 7.759 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.932 -28.033 5.587 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.691 -29.697 6.080 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.250 -28.151 7.954 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.352 -27.837 6.309 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.365 -29.493 6.959 1.00 0.00 H new ATOM 419 N ILE A 30 7.623 -28.689 5.011 1.00 0.00 N ATOM 420 CA ILE A 30 9.081 -28.909 5.223 1.00 0.00 C ATOM 421 C ILE A 30 9.882 -28.221 4.112 1.00 0.00 C ATOM 422 O ILE A 30 11.001 -27.795 4.316 1.00 0.00 O ATOM 423 CB ILE A 30 9.376 -30.412 5.218 1.00 0.00 C ATOM 424 CG1 ILE A 30 9.338 -30.945 3.784 1.00 0.00 C ATOM 425 CG2 ILE A 30 8.320 -31.139 6.056 1.00 0.00 C ATOM 426 CD1 ILE A 30 10.768 -31.122 3.268 1.00 0.00 C ATOM 0 H ILE A 30 7.287 -28.877 4.066 1.00 0.00 H new ATOM 0 HA ILE A 30 9.372 -28.484 6.184 1.00 0.00 H new ATOM 0 HB ILE A 30 10.366 -30.585 5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.808 -31.897 3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.791 -30.254 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.528 -32.209 6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.348 -30.766 7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.332 -30.960 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.742 -31.502 2.247 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.282 -30.161 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.300 -31.829 3.905 1.00 0.00 H new ATOM 438 N GLY A 31 9.322 -28.108 2.937 1.00 0.00 N ATOM 439 CA GLY A 31 10.058 -27.447 1.822 1.00 0.00 C ATOM 440 C GLY A 31 10.161 -28.407 0.635 1.00 0.00 C ATOM 441 O GLY A 31 11.097 -29.174 0.525 1.00 0.00 O ATOM 0 H GLY A 31 8.388 -28.444 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.541 -26.535 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.054 -27.154 2.153 1.00 0.00 H new ATOM 445 N THR A 32 9.205 -28.373 -0.254 1.00 0.00 N ATOM 446 CA THR A 32 9.250 -29.284 -1.432 1.00 0.00 C ATOM 447 C THR A 32 8.349 -28.732 -2.541 1.00 0.00 C ATOM 448 O THR A 32 8.819 -28.212 -3.533 1.00 0.00 O ATOM 449 CB THR A 32 8.763 -30.676 -1.020 1.00 0.00 C ATOM 450 OG1 THR A 32 7.619 -30.548 -0.187 1.00 0.00 O ATOM 451 CG2 THR A 32 9.872 -31.402 -0.259 1.00 0.00 C ATOM 0 H THR A 32 8.395 -27.754 -0.215 1.00 0.00 H new ATOM 0 HA THR A 32 10.274 -29.353 -1.799 1.00 0.00 H new ATOM 0 HB THR A 32 8.502 -31.248 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.830 -30.878 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.524 -32.393 0.034 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.749 -31.500 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.135 -30.832 0.632 1.00 0.00 H new ATOM 459 N ASN A 33 7.060 -28.843 -2.382 1.00 0.00 N ATOM 460 CA ASN A 33 6.133 -28.324 -3.427 1.00 0.00 C ATOM 461 C ASN A 33 4.879 -27.755 -2.759 1.00 0.00 C ATOM 462 O ASN A 33 4.487 -28.180 -1.690 1.00 0.00 O ATOM 463 CB ASN A 33 5.736 -29.461 -4.372 1.00 0.00 C ATOM 464 CG ASN A 33 5.669 -30.774 -3.591 1.00 0.00 C ATOM 465 OD1 ASN A 33 5.089 -30.831 -2.525 1.00 0.00 O ATOM 466 ND2 ASN A 33 6.244 -31.840 -4.077 1.00 0.00 N ATOM 0 H ASN A 33 6.608 -29.271 -1.574 1.00 0.00 H new ATOM 0 HA ASN A 33 6.632 -27.539 -3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.770 -29.248 -4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.460 -29.544 -5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.206 -32.720 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.731 -31.794 -4.972 1.00 0.00 H new ATOM 473 N CYS A 34 4.248 -26.795 -3.378 1.00 0.00 N ATOM 474 CA CYS A 34 3.021 -26.198 -2.777 1.00 0.00 C ATOM 475 C CYS A 34 1.854 -26.343 -3.756 1.00 0.00 C ATOM 476 O CYS A 34 1.973 -26.046 -4.928 1.00 0.00 O ATOM 477 CB CYS A 34 3.265 -24.716 -2.489 1.00 0.00 C ATOM 478 SG CYS A 34 4.511 -24.549 -1.186 1.00 0.00 S ATOM 0 H CYS A 34 4.529 -26.398 -4.274 1.00 0.00 H new ATOM 0 HA CYS A 34 2.782 -26.714 -1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.600 -24.209 -3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.336 -24.237 -2.181 1.00 0.00 H new ATOM 483 N GLU A 35 0.723 -26.792 -3.284 1.00 0.00 N ATOM 484 CA GLU A 35 -0.451 -26.953 -4.190 1.00 0.00 C ATOM 485 C GLU A 35 -1.653 -26.210 -3.605 1.00 0.00 C ATOM 486 O GLU A 35 -1.900 -26.247 -2.416 1.00 0.00 O ATOM 487 CB GLU A 35 -0.801 -28.440 -4.338 1.00 0.00 C ATOM 488 CG GLU A 35 0.404 -29.306 -3.959 1.00 0.00 C ATOM 489 CD GLU A 35 0.386 -30.595 -4.782 1.00 0.00 C ATOM 490 OE1 GLU A 35 -0.696 -31.046 -5.117 1.00 0.00 O ATOM 491 OE2 GLU A 35 1.457 -31.110 -5.063 1.00 0.00 O ATOM 0 H GLU A 35 0.561 -27.054 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.202 -26.542 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.650 -28.687 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.101 -28.650 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.329 -28.759 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.376 -29.541 -2.895 1.00 0.00 H new ATOM 498 N CYS A 36 -2.404 -25.537 -4.432 1.00 0.00 N ATOM 499 CA CYS A 36 -3.592 -24.790 -3.926 1.00 0.00 C ATOM 500 C CYS A 36 -4.700 -25.783 -3.560 1.00 0.00 C ATOM 501 O CYS A 36 -4.875 -26.796 -4.208 1.00 0.00 O ATOM 502 CB CYS A 36 -4.096 -23.847 -5.021 1.00 0.00 C ATOM 503 SG CYS A 36 -5.360 -22.749 -4.337 1.00 0.00 S ATOM 0 H CYS A 36 -2.247 -25.471 -5.438 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.315 -24.214 -3.043 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.268 -23.261 -5.421 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.509 -24.422 -5.850 1.00 0.00 H new ATOM 508 N THR A 37 -5.451 -25.507 -2.525 1.00 0.00 N ATOM 509 CA THR A 37 -6.541 -26.446 -2.130 1.00 0.00 C ATOM 510 C THR A 37 -7.874 -25.959 -2.716 1.00 0.00 C ATOM 511 O THR A 37 -8.167 -24.780 -2.675 1.00 0.00 O ATOM 512 CB THR A 37 -6.645 -26.501 -0.605 1.00 0.00 C ATOM 513 OG1 THR A 37 -5.674 -25.635 -0.033 1.00 0.00 O ATOM 514 CG2 THR A 37 -6.400 -27.934 -0.126 1.00 0.00 C ATOM 0 H THR A 37 -5.357 -24.677 -1.940 1.00 0.00 H new ATOM 0 HA THR A 37 -6.316 -27.441 -2.513 1.00 0.00 H new ATOM 0 HB THR A 37 -7.641 -26.183 -0.297 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.006 -24.713 -0.051 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.474 -27.972 0.961 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.146 -28.597 -0.564 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.405 -28.255 -0.433 1.00 0.00 H new ATOM 522 N PRO A 38 -8.644 -26.881 -3.242 1.00 0.00 N ATOM 523 CA PRO A 38 -9.953 -26.564 -3.842 1.00 0.00 C ATOM 524 C PRO A 38 -10.929 -26.045 -2.780 1.00 0.00 C ATOM 525 O PRO A 38 -11.281 -26.744 -1.850 1.00 0.00 O ATOM 526 CB PRO A 38 -10.455 -27.894 -4.417 1.00 0.00 C ATOM 527 CG PRO A 38 -9.414 -28.985 -4.061 1.00 0.00 C ATOM 528 CD PRO A 38 -8.270 -28.307 -3.294 1.00 0.00 C ATOM 0 HA PRO A 38 -9.873 -25.785 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.431 -28.146 -4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.578 -27.821 -5.498 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.871 -29.766 -3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.037 -29.464 -4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.163 -28.725 -2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.316 -28.447 -3.802 1.00 0.00 H new ATOM 536 N ARG A 39 -11.369 -24.822 -2.918 1.00 0.00 N ATOM 537 CA ARG A 39 -12.324 -24.243 -1.928 1.00 0.00 C ATOM 538 C ARG A 39 -11.941 -24.666 -0.509 1.00 0.00 C ATOM 539 O ARG A 39 -12.757 -25.162 0.242 1.00 0.00 O ATOM 540 CB ARG A 39 -13.736 -24.739 -2.238 1.00 0.00 C ATOM 541 CG ARG A 39 -13.962 -24.720 -3.750 1.00 0.00 C ATOM 542 CD ARG A 39 -15.409 -25.114 -4.053 1.00 0.00 C ATOM 543 NE ARG A 39 -15.796 -26.277 -3.205 1.00 0.00 N ATOM 544 CZ ARG A 39 -15.892 -27.466 -3.734 1.00 0.00 C ATOM 545 NH1 ARG A 39 -16.385 -27.609 -4.933 1.00 0.00 N ATOM 546 NH2 ARG A 39 -15.496 -28.513 -3.062 1.00 0.00 N ATOM 0 H ARG A 39 -11.106 -24.196 -3.679 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.287 -23.156 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.871 -25.749 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -14.472 -24.107 -1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.753 -23.727 -4.147 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.275 -25.410 -4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.074 -24.272 -3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -15.515 -25.368 -5.108 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.986 -26.144 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.696 -26.791 -5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.460 -28.539 -5.346 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.112 -28.401 -2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.571 -29.443 -3.475 1.00 0.00 H new