USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 246 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 30 THR OG1 : rot -76:sc= 1.79 USER MOD Set 1.2: A 32 THR OG1 : rot -81:sc= 0.0374 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.037! C(o=0.037!,f=-7.5!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0147 K(o=-0.015,f=-3.7!) USER MOD Single : A 29 ASN : amide:sc= 1.18 K(o=1.2,f=-0.14) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -52:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 109 N LEU A 9 -9.213 -4.769 -8.888 1.00 0.00 N ATOM 110 CA LEU A 9 -8.280 -5.668 -8.229 1.00 0.00 C ATOM 111 C LEU A 9 -8.985 -6.962 -7.849 1.00 0.00 C ATOM 112 O LEU A 9 -10.213 -7.040 -7.891 1.00 0.00 O ATOM 113 CB LEU A 9 -7.672 -5.023 -6.981 1.00 0.00 C ATOM 114 CG LEU A 9 -7.602 -3.507 -6.992 1.00 0.00 C ATOM 115 CD1 LEU A 9 -8.320 -2.950 -5.783 1.00 0.00 C ATOM 116 CD2 LEU A 9 -6.156 -3.052 -7.005 1.00 0.00 C ATOM 0 HA LEU A 9 -7.472 -5.884 -8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.253 -5.335 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.663 -5.414 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.090 -3.134 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.266 -1.861 -5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.364 -3.262 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.848 -3.325 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.117 -1.963 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.649 -3.427 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.661 -3.439 -7.896 1.00 0.00 H new ATOM 128 N PRO A 10 -8.213 -7.988 -7.472 1.00 0.00 N ATOM 129 CA PRO A 10 -8.754 -9.286 -7.074 1.00 0.00 C ATOM 130 C PRO A 10 -9.477 -9.199 -5.731 1.00 0.00 C ATOM 131 O PRO A 10 -9.049 -8.456 -4.843 1.00 0.00 O ATOM 132 CB PRO A 10 -7.507 -10.185 -6.958 1.00 0.00 C ATOM 133 CG PRO A 10 -6.382 -9.398 -7.555 1.00 0.00 C ATOM 134 CD PRO A 10 -6.754 -7.957 -7.379 1.00 0.00 C ATOM 0 HA PRO A 10 -9.489 -9.663 -7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.300 -10.435 -5.917 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.652 -11.126 -7.489 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.439 -9.622 -7.056 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.250 -9.642 -8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.418 -7.566 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.312 -7.327 -8.151 1.00 0.00 H new ATOM 142 N PRO A 11 -10.593 -9.937 -5.575 1.00 0.00 N ATOM 143 CA PRO A 11 -11.360 -9.975 -4.324 1.00 0.00 C ATOM 144 C PRO A 11 -10.474 -10.297 -3.123 1.00 0.00 C ATOM 145 O PRO A 11 -10.106 -11.450 -2.889 1.00 0.00 O ATOM 146 CB PRO A 11 -12.393 -11.088 -4.548 1.00 0.00 C ATOM 147 CG PRO A 11 -11.964 -11.794 -5.794 1.00 0.00 C ATOM 148 CD PRO A 11 -11.196 -10.792 -6.603 1.00 0.00 C ATOM 0 HA PRO A 11 -11.816 -9.010 -4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.421 -11.772 -3.700 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.396 -10.675 -4.658 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.345 -12.659 -5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.827 -12.162 -6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.440 -11.270 -7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.847 -10.226 -7.269 1.00 0.00 H new ATOM 156 N GLY A 12 -10.130 -9.261 -2.375 1.00 0.00 N ATOM 157 CA GLY A 12 -9.211 -9.403 -1.268 1.00 0.00 C ATOM 158 C GLY A 12 -8.364 -8.161 -1.101 1.00 0.00 C ATOM 159 O GLY A 12 -7.910 -7.850 -0.001 1.00 0.00 O ATOM 0 H GLY A 12 -10.477 -8.312 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.768 -9.593 -0.351 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.567 -10.267 -1.434 1.00 0.00 H new ATOM 163 N TRP A 13 -8.151 -7.452 -2.203 1.00 0.00 N ATOM 164 CA TRP A 13 -7.436 -6.185 -2.176 1.00 0.00 C ATOM 165 C TRP A 13 -8.392 -5.059 -1.813 1.00 0.00 C ATOM 166 O TRP A 13 -9.349 -4.784 -2.537 1.00 0.00 O ATOM 167 CB TRP A 13 -6.789 -5.901 -3.531 1.00 0.00 C ATOM 168 CG TRP A 13 -5.515 -6.651 -3.741 1.00 0.00 C ATOM 169 CD1 TRP A 13 -5.381 -7.883 -4.305 1.00 0.00 C ATOM 170 CD2 TRP A 13 -4.193 -6.225 -3.383 1.00 0.00 C ATOM 171 NE1 TRP A 13 -4.061 -8.245 -4.336 1.00 0.00 N ATOM 172 CE2 TRP A 13 -3.311 -7.247 -3.770 1.00 0.00 C ATOM 173 CE3 TRP A 13 -3.670 -5.076 -2.778 1.00 0.00 C ATOM 174 CZ2 TRP A 13 -1.937 -7.160 -3.569 1.00 0.00 C ATOM 175 CZ3 TRP A 13 -2.306 -4.993 -2.579 1.00 0.00 C ATOM 176 CH2 TRP A 13 -1.452 -6.028 -2.974 1.00 0.00 C ATOM 0 H TRP A 13 -8.466 -7.736 -3.131 1.00 0.00 H new ATOM 0 HA TRP A 13 -6.650 -6.248 -1.424 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -7.491 -6.160 -4.323 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.593 -4.832 -3.616 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.197 -8.487 -4.674 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -3.695 -9.117 -4.719 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -4.321 -4.270 -2.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.276 -7.959 -3.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.891 -4.113 -2.110 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.390 -5.931 -2.806 1.00 0.00 H new ATOM 187 N GLU A 14 -8.141 -4.423 -0.684 1.00 0.00 N ATOM 188 CA GLU A 14 -9.003 -3.358 -0.210 1.00 0.00 C ATOM 189 C GLU A 14 -8.292 -2.016 -0.287 1.00 0.00 C ATOM 190 O GLU A 14 -7.438 -1.705 0.543 1.00 0.00 O ATOM 191 CB GLU A 14 -9.440 -3.640 1.223 1.00 0.00 C ATOM 192 CG GLU A 14 -10.899 -3.332 1.482 1.00 0.00 C ATOM 193 CD GLU A 14 -11.514 -4.305 2.459 1.00 0.00 C ATOM 194 OE1 GLU A 14 -11.158 -4.254 3.652 1.00 0.00 O ATOM 195 OE2 GLU A 14 -12.339 -5.137 2.037 1.00 0.00 O ATOM 0 H GLU A 14 -7.346 -4.626 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.885 -3.316 -0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.252 -4.689 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.826 -3.051 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.993 -2.318 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.450 -3.364 0.542 1.00 0.00 H new ATOM 202 N MET A 15 -8.633 -1.229 -1.293 1.00 0.00 N ATOM 203 CA MET A 15 -8.055 0.096 -1.434 1.00 0.00 C ATOM 204 C MET A 15 -8.803 1.097 -0.565 1.00 0.00 C ATOM 205 O MET A 15 -9.929 1.488 -0.865 1.00 0.00 O ATOM 206 CB MET A 15 -8.051 0.554 -2.896 1.00 0.00 C ATOM 207 CG MET A 15 -9.374 0.378 -3.619 1.00 0.00 C ATOM 208 SD MET A 15 -9.463 1.359 -5.129 1.00 0.00 S ATOM 209 CE MET A 15 -10.661 0.421 -6.075 1.00 0.00 C ATOM 0 H MET A 15 -9.303 -1.482 -2.020 1.00 0.00 H new ATOM 0 HA MET A 15 -7.019 0.044 -1.100 1.00 0.00 H new ATOM 0 HB2 MET A 15 -7.770 1.607 -2.932 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.282 -0.000 -3.434 1.00 0.00 H new ATOM 0 HG2 MET A 15 -9.515 -0.675 -3.863 1.00 0.00 H new ATOM 0 HG3 MET A 15 -10.190 0.663 -2.954 1.00 0.00 H new ATOM 0 HE1 MET A 15 -10.823 0.904 -7.039 1.00 0.00 H new ATOM 0 HE2 MET A 15 -10.287 -0.590 -6.235 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.603 0.378 -5.528 1.00 0.00 H new ATOM 219 N ARG A 16 -8.181 1.479 0.531 1.00 0.00 N ATOM 220 CA ARG A 16 -8.737 2.491 1.404 1.00 0.00 C ATOM 221 C ARG A 16 -8.005 3.794 1.162 1.00 0.00 C ATOM 222 O ARG A 16 -6.802 3.801 0.903 1.00 0.00 O ATOM 223 CB ARG A 16 -8.625 2.079 2.873 1.00 0.00 C ATOM 224 CG ARG A 16 -9.736 1.145 3.335 1.00 0.00 C ATOM 225 CD ARG A 16 -9.211 -0.258 3.598 1.00 0.00 C ATOM 226 NE ARG A 16 -8.800 -0.442 4.990 1.00 0.00 N ATOM 227 CZ ARG A 16 -9.256 -1.410 5.784 1.00 0.00 C ATOM 228 NH1 ARG A 16 -10.151 -2.285 5.338 1.00 0.00 N ATOM 229 NH2 ARG A 16 -8.815 -1.505 7.028 1.00 0.00 N ATOM 0 H ARG A 16 -7.285 1.101 0.839 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.797 2.612 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.663 1.591 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.634 2.975 3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.191 1.540 4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.518 1.106 2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.984 -0.986 3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.364 -0.456 2.941 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.121 0.213 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.495 -2.219 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.494 -3.022 5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.127 -0.838 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.163 -2.245 7.637 1.00 0.00 H new ATOM 243 N ILE A 17 -8.723 4.890 1.224 1.00 0.00 N ATOM 244 CA ILE A 17 -8.140 6.181 0.906 1.00 0.00 C ATOM 245 C ILE A 17 -7.533 6.821 2.141 1.00 0.00 C ATOM 246 O ILE A 17 -8.248 7.210 3.068 1.00 0.00 O ATOM 247 CB ILE A 17 -9.169 7.152 0.288 1.00 0.00 C ATOM 248 CG1 ILE A 17 -10.129 6.412 -0.654 1.00 0.00 C ATOM 249 CG2 ILE A 17 -8.458 8.283 -0.449 1.00 0.00 C ATOM 250 CD1 ILE A 17 -9.440 5.703 -1.802 1.00 0.00 C ATOM 0 H ILE A 17 -9.707 4.919 1.490 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.360 5.993 0.168 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.759 7.582 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.697 5.682 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.846 7.126 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.198 8.959 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.827 8.833 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.841 7.867 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.185 5.204 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.895 6.430 -2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.743 4.964 -1.407 1.00 0.00 H new ATOM 262 N ALA A 18 -6.212 6.903 2.159 1.00 0.00 N ATOM 263 CA ALA A 18 -5.514 7.603 3.222 1.00 0.00 C ATOM 264 C ALA A 18 -5.803 9.096 3.120 1.00 0.00 C ATOM 265 O ALA A 18 -5.910 9.632 2.013 1.00 0.00 O ATOM 266 CB ALA A 18 -4.018 7.335 3.148 1.00 0.00 C ATOM 0 H ALA A 18 -5.604 6.494 1.450 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.869 7.238 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.513 7.868 3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.834 6.265 3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.634 7.679 2.188 1.00 0.00 H new ATOM 272 N PRO A 19 -5.932 9.786 4.265 1.00 0.00 N ATOM 273 CA PRO A 19 -6.307 11.208 4.315 1.00 0.00 C ATOM 274 C PRO A 19 -5.397 12.106 3.474 1.00 0.00 C ATOM 275 O PRO A 19 -5.781 13.209 3.091 1.00 0.00 O ATOM 276 CB PRO A 19 -6.180 11.566 5.803 1.00 0.00 C ATOM 277 CG PRO A 19 -5.406 10.449 6.419 1.00 0.00 C ATOM 278 CD PRO A 19 -5.732 9.232 5.614 1.00 0.00 C ATOM 0 HA PRO A 19 -7.304 11.365 3.903 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.666 12.518 5.935 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.161 11.666 6.267 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.336 10.657 6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.683 10.312 7.464 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.923 8.502 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.626 8.729 5.983 1.00 0.00 H new ATOM 286 N ASN A 20 -4.196 11.624 3.186 1.00 0.00 N ATOM 287 CA ASN A 20 -3.232 12.375 2.391 1.00 0.00 C ATOM 288 C ASN A 20 -3.670 12.427 0.928 1.00 0.00 C ATOM 289 O ASN A 20 -3.133 13.204 0.136 1.00 0.00 O ATOM 290 CB ASN A 20 -1.799 11.788 2.461 1.00 0.00 C ATOM 291 CG ASN A 20 -1.614 10.523 3.311 1.00 0.00 C ATOM 292 OD1 ASN A 20 -2.426 10.169 4.166 1.00 0.00 O ATOM 293 ND2 ASN A 20 -0.508 9.831 3.081 1.00 0.00 N ATOM 0 H ASN A 20 -3.864 10.710 3.493 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.205 13.377 2.819 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.472 11.566 1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.134 12.559 2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.315 8.985 3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.150 10.144 2.367 1.00 0.00 H new ATOM 300 N GLY A 21 -4.632 11.585 0.570 1.00 0.00 N ATOM 301 CA GLY A 21 -5.142 11.574 -0.787 1.00 0.00 C ATOM 302 C GLY A 21 -4.608 10.404 -1.575 1.00 0.00 C ATOM 303 O GLY A 21 -4.793 10.317 -2.789 1.00 0.00 O ATOM 0 H GLY A 21 -5.068 10.909 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.231 11.532 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.869 12.504 -1.286 1.00 0.00 H new ATOM 307 N ARG A 22 -3.937 9.499 -0.878 1.00 0.00 N ATOM 308 CA ARG A 22 -3.340 8.338 -1.516 1.00 0.00 C ATOM 309 C ARG A 22 -4.100 7.072 -1.151 1.00 0.00 C ATOM 310 O ARG A 22 -4.063 6.631 -0.003 1.00 0.00 O ATOM 311 CB ARG A 22 -1.860 8.166 -1.137 1.00 0.00 C ATOM 312 CG ARG A 22 -1.299 9.225 -0.199 1.00 0.00 C ATOM 313 CD ARG A 22 -0.562 10.308 -0.966 1.00 0.00 C ATOM 314 NE ARG A 22 0.835 9.956 -1.223 1.00 0.00 N ATOM 315 CZ ARG A 22 1.707 10.763 -1.831 1.00 0.00 C ATOM 316 NH1 ARG A 22 1.319 11.947 -2.293 1.00 0.00 N ATOM 317 NH2 ARG A 22 2.963 10.380 -2.005 1.00 0.00 N ATOM 0 H ARG A 22 -3.793 9.548 0.131 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.401 8.507 -2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.733 7.189 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.266 8.163 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.111 9.672 0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.622 8.758 0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.069 10.487 -1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.601 11.240 -0.402 1.00 0.00 H new ATOM 0 HE ARG A 22 1.162 9.039 -0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.349 12.244 -2.184 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.991 12.559 -2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.268 9.465 -1.674 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.626 11.000 -2.470 1.00 0.00 H new ATOM 331 N PRO A 23 -4.839 6.498 -2.109 1.00 0.00 N ATOM 332 CA PRO A 23 -5.425 5.169 -1.952 1.00 0.00 C ATOM 333 C PRO A 23 -4.368 4.131 -1.623 1.00 0.00 C ATOM 334 O PRO A 23 -3.408 3.956 -2.376 1.00 0.00 O ATOM 335 CB PRO A 23 -6.020 4.873 -3.329 1.00 0.00 C ATOM 336 CG PRO A 23 -6.289 6.212 -3.915 1.00 0.00 C ATOM 337 CD PRO A 23 -5.200 7.113 -3.396 1.00 0.00 C ATOM 0 HA PRO A 23 -6.152 5.136 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.327 4.302 -3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.934 4.284 -3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.277 6.172 -5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.273 6.577 -3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.350 7.150 -4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.551 8.137 -3.268 1.00 0.00 H new ATOM 345 N PHE A 24 -4.527 3.456 -0.501 1.00 0.00 N ATOM 346 CA PHE A 24 -3.619 2.385 -0.151 1.00 0.00 C ATOM 347 C PHE A 24 -4.356 1.064 -0.194 1.00 0.00 C ATOM 348 O PHE A 24 -5.475 0.931 0.306 1.00 0.00 O ATOM 349 CB PHE A 24 -2.936 2.619 1.209 1.00 0.00 C ATOM 350 CG PHE A 24 -3.792 2.374 2.420 1.00 0.00 C ATOM 351 CD1 PHE A 24 -3.863 1.115 2.998 1.00 0.00 C ATOM 352 CD2 PHE A 24 -4.505 3.413 2.993 1.00 0.00 C ATOM 353 CE1 PHE A 24 -4.635 0.897 4.119 1.00 0.00 C ATOM 354 CE2 PHE A 24 -5.276 3.201 4.117 1.00 0.00 C ATOM 355 CZ PHE A 24 -5.341 1.942 4.681 1.00 0.00 C ATOM 0 H PHE A 24 -5.269 3.629 0.177 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.814 2.362 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.059 1.974 1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.578 3.648 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.307 0.296 2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.457 4.399 2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.687 -0.089 4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.828 4.019 4.556 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.944 1.775 5.561 1.00 0.00 H new ATOM 365 N PHE A 25 -3.729 0.100 -0.822 1.00 0.00 N ATOM 366 CA PHE A 25 -4.341 -1.178 -1.073 1.00 0.00 C ATOM 367 C PHE A 25 -3.865 -2.180 -0.054 1.00 0.00 C ATOM 368 O PHE A 25 -2.713 -2.621 -0.071 1.00 0.00 O ATOM 369 CB PHE A 25 -4.018 -1.654 -2.494 1.00 0.00 C ATOM 370 CG PHE A 25 -4.358 -0.651 -3.566 1.00 0.00 C ATOM 371 CD1 PHE A 25 -3.599 0.498 -3.741 1.00 0.00 C ATOM 372 CD2 PHE A 25 -5.444 -0.858 -4.398 1.00 0.00 C ATOM 373 CE1 PHE A 25 -3.917 1.415 -4.723 1.00 0.00 C ATOM 374 CE2 PHE A 25 -5.766 0.057 -5.383 1.00 0.00 C ATOM 375 CZ PHE A 25 -5.003 1.193 -5.544 1.00 0.00 C ATOM 0 H PHE A 25 -2.775 0.182 -1.174 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.423 -1.078 -0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.956 -1.890 -2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.562 -2.578 -2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.748 0.677 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.048 -1.745 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.317 2.304 -4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.616 -0.119 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.255 1.909 -6.312 1.00 0.00 H new ATOM 385 N ILE A 26 -4.750 -2.507 0.856 1.00 0.00 N ATOM 386 CA ILE A 26 -4.450 -3.480 1.858 1.00 0.00 C ATOM 387 C ILE A 26 -4.915 -4.858 1.393 1.00 0.00 C ATOM 388 O ILE A 26 -6.109 -5.127 1.238 1.00 0.00 O ATOM 389 CB ILE A 26 -5.039 -3.072 3.239 1.00 0.00 C ATOM 390 CG1 ILE A 26 -4.353 -3.867 4.347 1.00 0.00 C ATOM 391 CG2 ILE A 26 -6.554 -3.206 3.297 1.00 0.00 C ATOM 392 CD1 ILE A 26 -5.014 -5.185 4.687 1.00 0.00 C ATOM 0 H ILE A 26 -5.686 -2.107 0.917 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.371 -3.529 2.001 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.835 -2.012 3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.322 -4.060 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.317 -3.252 5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.908 -2.908 4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.005 -2.564 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.835 -4.242 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.456 -5.677 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.037 -5.004 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.026 -5.824 3.804 1.00 0.00 H new ATOM 404 N ASP A 27 -3.948 -5.706 1.099 1.00 0.00 N ATOM 405 CA ASP A 27 -4.236 -7.055 0.644 1.00 0.00 C ATOM 406 C ASP A 27 -4.630 -7.909 1.833 1.00 0.00 C ATOM 407 O ASP A 27 -3.885 -8.010 2.804 1.00 0.00 O ATOM 408 CB ASP A 27 -3.025 -7.671 -0.057 1.00 0.00 C ATOM 409 CG ASP A 27 -3.167 -9.170 -0.222 1.00 0.00 C ATOM 410 OD1 ASP A 27 -4.253 -9.625 -0.633 1.00 0.00 O ATOM 411 OD2 ASP A 27 -2.200 -9.902 0.080 1.00 0.00 O ATOM 0 H ASP A 27 -2.954 -5.485 1.167 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.056 -7.013 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.899 -7.209 -1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.124 -7.453 0.517 1.00 0.00 H new ATOM 416 N HIS A 28 -5.802 -8.510 1.769 1.00 0.00 N ATOM 417 CA HIS A 28 -6.300 -9.302 2.880 1.00 0.00 C ATOM 418 C HIS A 28 -5.873 -10.761 2.744 1.00 0.00 C ATOM 419 O HIS A 28 -6.201 -11.590 3.589 1.00 0.00 O ATOM 420 CB HIS A 28 -7.824 -9.187 2.981 1.00 0.00 C ATOM 421 CG HIS A 28 -8.280 -7.872 3.539 1.00 0.00 C ATOM 422 ND1 HIS A 28 -8.200 -7.557 4.875 1.00 0.00 N ATOM 423 CD2 HIS A 28 -8.810 -6.782 2.933 1.00 0.00 C ATOM 424 CE1 HIS A 28 -8.656 -6.336 5.067 1.00 0.00 C ATOM 425 NE2 HIS A 28 -9.038 -5.839 3.908 1.00 0.00 N ATOM 0 H HIS A 28 -6.426 -8.466 0.963 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.865 -8.910 3.800 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.259 -9.325 1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.202 -9.993 3.611 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.016 -6.674 1.878 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.708 -5.826 6.018 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.436 -4.912 3.759 1.00 0.00 H new ATOM 434 N ASN A 29 -5.132 -11.067 1.686 1.00 0.00 N ATOM 435 CA ASN A 29 -4.638 -12.418 1.469 1.00 0.00 C ATOM 436 C ASN A 29 -3.343 -12.635 2.240 1.00 0.00 C ATOM 437 O ASN A 29 -3.231 -13.566 3.035 1.00 0.00 O ATOM 438 CB ASN A 29 -4.408 -12.673 -0.022 1.00 0.00 C ATOM 439 CG ASN A 29 -5.692 -12.643 -0.828 1.00 0.00 C ATOM 440 OD1 ASN A 29 -6.455 -13.610 -0.849 1.00 0.00 O ATOM 441 ND2 ASN A 29 -5.940 -11.529 -1.492 1.00 0.00 N ATOM 0 H ASN A 29 -4.861 -10.397 0.966 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.388 -13.121 1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.721 -11.922 -0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.926 -13.642 -0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.790 -11.446 -2.049 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.281 -10.751 -1.448 1.00 0.00 H new ATOM 448 N THR A 30 -2.365 -11.770 2.008 1.00 0.00 N ATOM 449 CA THR A 30 -1.080 -11.874 2.686 1.00 0.00 C ATOM 450 C THR A 30 -0.927 -10.790 3.751 1.00 0.00 C ATOM 451 O THR A 30 0.074 -10.747 4.467 1.00 0.00 O ATOM 452 CB THR A 30 0.085 -11.773 1.681 1.00 0.00 C ATOM 453 OG1 THR A 30 0.155 -10.451 1.131 1.00 0.00 O ATOM 454 CG2 THR A 30 -0.090 -12.777 0.553 1.00 0.00 C ATOM 0 H THR A 30 -2.437 -10.989 1.356 1.00 0.00 H new ATOM 0 HA THR A 30 -1.050 -12.850 3.170 1.00 0.00 H new ATOM 0 HB THR A 30 1.010 -11.994 2.214 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.559 -10.333 0.471 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.743 -12.689 -0.145 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.114 -13.786 0.964 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.025 -12.577 0.029 1.00 0.00 H new ATOM 462 N LYS A 31 -1.936 -9.926 3.849 1.00 0.00 N ATOM 463 CA LYS A 31 -1.931 -8.806 4.789 1.00 0.00 C ATOM 464 C LYS A 31 -0.797 -7.833 4.480 1.00 0.00 C ATOM 465 O LYS A 31 0.129 -7.660 5.275 1.00 0.00 O ATOM 466 CB LYS A 31 -1.839 -9.300 6.235 1.00 0.00 C ATOM 467 CG LYS A 31 -3.192 -9.418 6.915 1.00 0.00 C ATOM 468 CD LYS A 31 -3.255 -10.643 7.810 1.00 0.00 C ATOM 469 CE LYS A 31 -3.373 -11.921 6.999 1.00 0.00 C ATOM 470 NZ LYS A 31 -4.606 -12.676 7.337 1.00 0.00 N ATOM 0 H LYS A 31 -2.780 -9.983 3.279 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.875 -8.274 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.347 -10.272 6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.211 -8.616 6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.383 -8.523 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.977 -9.475 6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.361 -10.687 8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.108 -10.559 8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.375 -11.678 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.501 -12.549 7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.651 -13.542 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.592 -12.929 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.439 -12.086 7.140 1.00 0.00 H new ATOM 484 N THR A 32 -0.873 -7.205 3.318 1.00 0.00 N ATOM 485 CA THR A 32 0.099 -6.200 2.921 1.00 0.00 C ATOM 486 C THR A 32 -0.561 -4.831 2.825 1.00 0.00 C ATOM 487 O THR A 32 -1.703 -4.721 2.387 1.00 0.00 O ATOM 488 CB THR A 32 0.724 -6.535 1.554 1.00 0.00 C ATOM 489 OG1 THR A 32 0.145 -7.738 1.028 1.00 0.00 O ATOM 490 CG2 THR A 32 2.232 -6.687 1.667 1.00 0.00 C ATOM 0 H THR A 32 -1.605 -7.376 2.628 1.00 0.00 H new ATOM 0 HA THR A 32 0.880 -6.189 3.681 1.00 0.00 H new ATOM 0 HB THR A 32 0.515 -5.710 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.581 -8.516 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.648 -6.923 0.688 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.665 -5.755 2.030 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.465 -7.492 2.364 1.00 0.00 H new ATOM 498 N THR A 33 0.145 -3.794 3.236 1.00 0.00 N ATOM 499 CA THR A 33 -0.368 -2.443 3.103 1.00 0.00 C ATOM 500 C THR A 33 0.503 -1.646 2.147 1.00 0.00 C ATOM 501 O THR A 33 1.537 -1.096 2.530 1.00 0.00 O ATOM 502 CB THR A 33 -0.454 -1.726 4.459 1.00 0.00 C ATOM 503 OG1 THR A 33 0.163 -2.523 5.481 1.00 0.00 O ATOM 504 CG2 THR A 33 -1.904 -1.467 4.825 1.00 0.00 C ATOM 0 H THR A 33 1.069 -3.860 3.662 1.00 0.00 H new ATOM 0 HA THR A 33 -1.379 -2.513 2.702 1.00 0.00 H new ATOM 0 HB THR A 33 0.071 -0.774 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.104 -2.056 6.340 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.951 -0.958 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.366 -0.841 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.438 -2.415 4.889 1.00 0.00 H new ATOM 512 N THR A 34 0.080 -1.602 0.899 1.00 0.00 N ATOM 513 CA THR A 34 0.865 -0.996 -0.154 1.00 0.00 C ATOM 514 C THR A 34 0.070 0.131 -0.826 1.00 0.00 C ATOM 515 O THR A 34 -1.145 0.037 -0.970 1.00 0.00 O ATOM 516 CB THR A 34 1.286 -2.088 -1.174 1.00 0.00 C ATOM 517 OG1 THR A 34 2.602 -1.836 -1.684 1.00 0.00 O ATOM 518 CG2 THR A 34 0.290 -2.211 -2.321 1.00 0.00 C ATOM 0 H THR A 34 -0.814 -1.984 0.589 1.00 0.00 H new ATOM 0 HA THR A 34 1.768 -0.553 0.266 1.00 0.00 H new ATOM 0 HB THR A 34 1.294 -3.037 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.651 -0.918 -2.025 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.623 -2.986 -3.011 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.690 -2.475 -1.925 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.224 -1.260 -2.849 1.00 0.00 H new ATOM 526 N TRP A 35 0.743 1.207 -1.202 1.00 0.00 N ATOM 527 CA TRP A 35 0.076 2.315 -1.888 1.00 0.00 C ATOM 528 C TRP A 35 0.176 2.112 -3.386 1.00 0.00 C ATOM 529 O TRP A 35 -0.619 2.642 -4.164 1.00 0.00 O ATOM 530 CB TRP A 35 0.704 3.667 -1.533 1.00 0.00 C ATOM 531 CG TRP A 35 1.203 3.769 -0.131 1.00 0.00 C ATOM 532 CD1 TRP A 35 2.384 3.291 0.351 1.00 0.00 C ATOM 533 CD2 TRP A 35 0.543 4.408 0.966 1.00 0.00 C ATOM 534 NE1 TRP A 35 2.498 3.580 1.687 1.00 0.00 N ATOM 535 CE2 TRP A 35 1.377 4.267 2.090 1.00 0.00 C ATOM 536 CE3 TRP A 35 -0.676 5.077 1.108 1.00 0.00 C ATOM 537 CZ2 TRP A 35 1.030 4.782 3.338 1.00 0.00 C ATOM 538 CZ3 TRP A 35 -1.016 5.585 2.344 1.00 0.00 C ATOM 539 CH2 TRP A 35 -0.170 5.434 3.445 1.00 0.00 C ATOM 0 H TRP A 35 1.742 1.342 -1.048 1.00 0.00 H new ATOM 0 HA TRP A 35 -0.965 2.325 -1.565 1.00 0.00 H new ATOM 0 HB2 TRP A 35 1.533 3.859 -2.215 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -0.034 4.451 -1.700 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.122 2.762 -0.233 1.00 0.00 H new ATOM 0 HE1 TRP A 35 3.285 3.327 2.284 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.340 5.194 0.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 1.684 4.671 4.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.953 6.109 2.463 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.468 5.840 4.401 1.00 0.00 H new ATOM 550 N GLU A 36 1.180 1.350 -3.771 1.00 0.00 N ATOM 551 CA GLU A 36 1.463 1.076 -5.160 1.00 0.00 C ATOM 552 C GLU A 36 0.479 0.048 -5.713 1.00 0.00 C ATOM 553 O GLU A 36 0.584 -1.145 -5.427 1.00 0.00 O ATOM 554 CB GLU A 36 2.912 0.595 -5.287 1.00 0.00 C ATOM 555 CG GLU A 36 3.881 1.365 -4.390 1.00 0.00 C ATOM 556 CD GLU A 36 4.201 0.637 -3.101 1.00 0.00 C ATOM 557 OE1 GLU A 36 3.322 0.579 -2.209 1.00 0.00 O ATOM 558 OE2 GLU A 36 5.332 0.126 -2.965 1.00 0.00 O ATOM 0 H GLU A 36 1.826 0.901 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 36 1.343 1.985 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.960 -0.465 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.231 0.693 -6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.806 1.548 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.453 2.339 -4.154 1.00 0.00 H new ATOM 565 N ASP A 37 -0.491 0.544 -6.475 1.00 0.00 N ATOM 566 CA ASP A 37 -1.538 -0.279 -7.076 1.00 0.00 C ATOM 567 C ASP A 37 -0.950 -1.466 -7.845 1.00 0.00 C ATOM 568 O ASP A 37 -0.047 -1.303 -8.669 1.00 0.00 O ATOM 569 CB ASP A 37 -2.391 0.589 -8.004 1.00 0.00 C ATOM 570 CG ASP A 37 -3.256 -0.226 -8.940 1.00 0.00 C ATOM 571 OD1 ASP A 37 -2.765 -0.608 -10.017 1.00 0.00 O ATOM 572 OD2 ASP A 37 -4.429 -0.484 -8.598 1.00 0.00 O ATOM 0 H ASP A 37 -0.574 1.536 -6.695 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.160 -0.686 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.027 1.239 -7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.738 1.235 -8.591 1.00 0.00 H new ATOM 577 N PRO A 38 -1.466 -2.678 -7.576 1.00 0.00 N ATOM 578 CA PRO A 38 -0.965 -3.917 -8.176 1.00 0.00 C ATOM 579 C PRO A 38 -1.558 -4.225 -9.557 1.00 0.00 C ATOM 580 O PRO A 38 -1.466 -5.354 -10.036 1.00 0.00 O ATOM 581 CB PRO A 38 -1.403 -4.972 -7.165 1.00 0.00 C ATOM 582 CG PRO A 38 -2.679 -4.443 -6.602 1.00 0.00 C ATOM 583 CD PRO A 38 -2.567 -2.938 -6.627 1.00 0.00 C ATOM 0 HA PRO A 38 0.109 -3.868 -8.358 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.551 -5.941 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.653 -5.111 -6.386 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.532 -4.778 -7.192 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.833 -4.804 -5.585 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.496 -2.474 -6.957 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.344 -2.538 -5.638 1.00 0.00 H new ATOM 591 N ARG A 39 -2.192 -3.245 -10.183 1.00 0.00 N ATOM 592 CA ARG A 39 -2.656 -3.395 -11.553 1.00 0.00 C ATOM 593 C ARG A 39 -1.701 -2.679 -12.489 1.00 0.00 C ATOM 594 O ARG A 39 -1.322 -3.198 -13.539 1.00 0.00 O ATOM 595 CB ARG A 39 -4.069 -2.831 -11.722 1.00 0.00 C ATOM 596 CG ARG A 39 -4.953 -2.996 -10.500 1.00 0.00 C ATOM 597 CD ARG A 39 -5.647 -4.344 -10.500 1.00 0.00 C ATOM 598 NE ARG A 39 -4.710 -5.443 -10.285 1.00 0.00 N ATOM 599 CZ ARG A 39 -5.014 -6.727 -10.468 1.00 0.00 C ATOM 600 NH1 ARG A 39 -6.230 -7.072 -10.883 1.00 0.00 N ATOM 601 NH2 ARG A 39 -4.100 -7.665 -10.239 1.00 0.00 N ATOM 0 H ARG A 39 -2.397 -2.338 -9.764 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.685 -4.457 -11.795 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.999 -1.771 -11.966 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.545 -3.322 -12.571 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.351 -2.894 -9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.698 -2.201 -10.478 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.409 -4.359 -9.720 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.161 -4.487 -11.451 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.765 -5.214 -9.976 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.931 -6.353 -11.062 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.461 -8.056 -11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.167 -7.401 -9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.332 -8.648 -10.379 1.00 0.00 H new