USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 258 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 11 CYS SG : rot -146:sc= 0.853 USER MOD Set 1.2: A 14 CYS SG : rot 94:sc= -0.298 USER MOD Set 1.3: A 21 CYS SG : rot -110:sc= -0.354 USER MOD Set 1.4: A 28 CYS SG : rot 180:sc= -0.369 USER MOD Set 1.5: A 31 CYS SG : rot 81:sc= -0.383 USER MOD Set 1.6: A 38 CYS SG : rot -130:sc= -3.1! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.00297) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00785 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -4.16! C(o=-4.2!,f=-7.4!) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.769 F(o=-2.7!,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 153 N ALA A 10 -3.946 -0.162 0.266 1.00 0.00 N ATOM 154 CA ALA A 10 -2.947 0.554 -0.529 1.00 0.00 C ATOM 155 C ALA A 10 -1.897 1.160 0.375 1.00 0.00 C ATOM 156 O ALA A 10 -2.198 1.575 1.513 1.00 0.00 O ATOM 157 CB ALA A 10 -3.672 1.611 -1.379 1.00 0.00 C ATOM 0 HA ALA A 10 -2.424 -0.128 -1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.944 2.156 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.390 1.120 -2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.197 2.307 -0.724 1.00 0.00 H new ATOM 163 N CYS A 11 -0.658 1.229 -0.067 1.00 0.00 N ATOM 164 CA CYS A 11 0.469 1.604 0.782 1.00 0.00 C ATOM 165 C CYS A 11 0.499 3.089 1.054 1.00 0.00 C ATOM 166 O CYS A 11 -0.293 3.862 0.490 1.00 0.00 O ATOM 167 CB CYS A 11 1.755 1.098 0.090 1.00 0.00 C ATOM 168 SG CYS A 11 1.971 1.834 -1.545 1.00 0.00 S ATOM 0 H CYS A 11 -0.396 1.026 -1.032 1.00 0.00 H new ATOM 0 HA CYS A 11 0.376 1.142 1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.619 1.333 0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.715 0.013 -0.002 1.00 0.00 H new ATOM 0 HG CYS A 11 2.526 0.968 -2.341 1.00 0.00 H new ATOM 173 N ASP A 12 1.420 3.531 1.890 1.00 0.00 N ATOM 174 CA ASP A 12 1.605 4.954 2.175 1.00 0.00 C ATOM 175 C ASP A 12 1.950 5.717 0.916 1.00 0.00 C ATOM 176 O ASP A 12 1.501 6.847 0.688 1.00 0.00 O ATOM 177 CB ASP A 12 2.682 5.155 3.276 1.00 0.00 C ATOM 178 CG ASP A 12 2.581 6.436 4.116 1.00 0.00 C ATOM 179 OD1 ASP A 12 3.104 7.492 3.789 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.898 6.283 5.161 1.00 0.00 O ATOM 0 H ASP A 12 2.063 2.920 2.393 1.00 0.00 H new ATOM 0 HA ASP A 12 0.664 5.355 2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.640 4.301 3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.662 5.137 2.800 1.00 0.00 H new ATOM 185 N ILE A 13 2.788 5.123 0.083 1.00 0.00 N ATOM 186 CA ILE A 13 3.349 5.788 -1.089 1.00 0.00 C ATOM 187 C ILE A 13 2.305 6.105 -2.132 1.00 0.00 C ATOM 188 O ILE A 13 2.457 7.033 -2.936 1.00 0.00 O ATOM 189 CB ILE A 13 4.530 4.932 -1.717 1.00 0.00 C ATOM 190 CG1 ILE A 13 5.908 5.190 -1.027 1.00 0.00 C ATOM 191 CG2 ILE A 13 4.718 5.139 -3.252 1.00 0.00 C ATOM 192 CD1 ILE A 13 6.279 6.679 -0.878 1.00 0.00 C ATOM 0 H ILE A 13 3.102 4.160 0.199 1.00 0.00 H new ATOM 0 HA ILE A 13 3.752 6.740 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 13 4.212 3.905 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.897 4.731 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.687 4.690 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.543 4.520 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.803 4.855 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.939 6.187 -3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.250 6.765 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.326 7.143 -1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.524 7.184 -0.276 1.00 0.00 H new ATOM 204 N CYS A 14 1.269 5.290 -2.196 1.00 0.00 N ATOM 205 CA CYS A 14 0.188 5.485 -3.157 1.00 0.00 C ATOM 206 C CYS A 14 -0.758 6.567 -2.684 1.00 0.00 C ATOM 207 O CYS A 14 -1.359 7.311 -3.469 1.00 0.00 O ATOM 208 CB CYS A 14 -0.514 4.136 -3.407 1.00 0.00 C ATOM 209 SG CYS A 14 0.423 3.170 -4.628 1.00 0.00 S ATOM 0 H CYS A 14 1.149 4.478 -1.590 1.00 0.00 H new ATOM 0 HA CYS A 14 0.589 5.831 -4.110 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.594 3.579 -2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.529 4.305 -3.765 1.00 0.00 H new ATOM 0 HG CYS A 14 1.249 2.377 -4.013 1.00 0.00 H new ATOM 214 N ARG A 15 -0.943 6.651 -1.379 1.00 0.00 N ATOM 215 CA ARG A 15 -1.677 7.766 -0.784 1.00 0.00 C ATOM 216 C ARG A 15 -1.142 9.089 -1.278 1.00 0.00 C ATOM 217 O ARG A 15 -1.798 9.862 -1.996 1.00 0.00 O ATOM 218 CB ARG A 15 -1.609 7.673 0.765 1.00 0.00 C ATOM 219 CG ARG A 15 -1.168 6.325 1.388 1.00 0.00 C ATOM 220 CD ARG A 15 -2.167 5.734 2.390 1.00 0.00 C ATOM 221 NE ARG A 15 -2.009 6.436 3.689 1.00 0.00 N ATOM 222 CZ ARG A 15 -2.784 7.415 4.137 1.00 0.00 C ATOM 223 NH1 ARG A 15 -3.805 7.895 3.492 1.00 0.00 N ATOM 224 NH2 ARG A 15 -2.500 7.918 5.286 1.00 0.00 N ATOM 0 H ARG A 15 -0.598 5.965 -0.708 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.722 7.704 -1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.925 8.445 1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.595 7.918 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.006 5.604 0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.210 6.466 1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.186 5.848 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.991 4.665 2.514 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.238 6.140 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.055 7.517 2.578 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.357 8.650 3.900 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.704 7.562 5.816 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.070 8.673 5.667 1.00 0.00 H new ATOM 238 N LEU A 16 0.110 9.363 -0.960 1.00 0.00 N ATOM 239 CA LEU A 16 0.735 10.669 -1.139 1.00 0.00 C ATOM 240 C LEU A 16 0.837 11.012 -2.606 1.00 0.00 C ATOM 241 O LEU A 16 0.419 12.081 -3.067 1.00 0.00 O ATOM 242 CB LEU A 16 2.140 10.697 -0.461 1.00 0.00 C ATOM 243 CG LEU A 16 2.194 10.759 1.090 1.00 0.00 C ATOM 244 CD1 LEU A 16 1.232 9.762 1.761 1.00 0.00 C ATOM 245 CD2 LEU A 16 3.625 10.503 1.581 1.00 0.00 C ATOM 0 H LEU A 16 0.740 8.668 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 16 0.110 11.422 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.684 9.808 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.683 11.559 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 16 1.874 11.761 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.313 9.851 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.209 9.981 1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.491 8.747 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.650 10.549 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.952 9.516 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.292 11.261 1.170 1.00 0.00 H new ATOM 257 N LYS A 17 1.377 10.078 -3.371 1.00 0.00 N ATOM 258 CA LYS A 17 1.670 10.307 -4.784 1.00 0.00 C ATOM 259 C LYS A 17 0.420 10.248 -5.633 1.00 0.00 C ATOM 260 O LYS A 17 0.386 10.725 -6.775 1.00 0.00 O ATOM 261 CB LYS A 17 2.713 9.263 -5.272 1.00 0.00 C ATOM 262 CG LYS A 17 4.177 9.683 -4.988 1.00 0.00 C ATOM 263 CD LYS A 17 4.870 10.448 -6.120 1.00 0.00 C ATOM 264 CE LYS A 17 6.390 10.350 -5.934 1.00 0.00 C ATOM 265 NZ LYS A 17 6.921 11.663 -5.526 1.00 0.00 N ATOM 0 H LYS A 17 1.624 9.146 -3.038 1.00 0.00 H new ATOM 0 HA LYS A 17 2.082 11.311 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.515 8.307 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.588 9.108 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.193 10.302 -4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.758 8.788 -4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.582 10.033 -7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.557 11.492 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.627 9.600 -5.180 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.861 10.028 -6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.951 11.597 -5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.707 12.368 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.480 11.952 -4.629 1.00 0.00 H new ATOM 279 N LYS A 18 -0.616 9.632 -5.098 1.00 0.00 N ATOM 280 CA LYS A 18 -1.817 9.335 -5.876 1.00 0.00 C ATOM 281 C LYS A 18 -1.451 8.444 -7.055 1.00 0.00 C ATOM 282 O LYS A 18 -1.404 8.844 -8.223 1.00 0.00 O ATOM 283 CB LYS A 18 -2.536 10.617 -6.369 1.00 0.00 C ATOM 284 CG LYS A 18 -3.526 11.193 -5.320 1.00 0.00 C ATOM 285 CD LYS A 18 -3.787 12.696 -5.440 1.00 0.00 C ATOM 286 CE LYS A 18 -5.263 12.934 -5.789 1.00 0.00 C ATOM 287 NZ LYS A 18 -5.786 14.041 -4.968 1.00 0.00 N ATOM 0 H LYS A 18 -0.656 9.324 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.516 8.815 -5.221 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.791 11.375 -6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.077 10.394 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.476 10.665 -5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.138 10.984 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.539 13.195 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.146 13.127 -6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.364 13.172 -6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.842 12.028 -5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.786 14.205 -5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.702 13.796 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.240 14.905 -5.161 1.00 0.00 H new ATOM 301 N LEU A 19 -1.152 7.199 -6.731 1.00 0.00 N ATOM 302 CA LEU A 19 -0.646 6.212 -7.676 1.00 0.00 C ATOM 303 C LEU A 19 -1.548 4.992 -7.706 1.00 0.00 C ATOM 304 O LEU A 19 -2.526 4.875 -6.958 1.00 0.00 O ATOM 305 CB LEU A 19 0.805 5.789 -7.308 1.00 0.00 C ATOM 306 CG LEU A 19 2.020 6.569 -7.877 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.574 7.929 -8.432 1.00 0.00 C ATOM 308 CD2 LEU A 19 3.128 6.778 -6.830 1.00 0.00 C ATOM 0 H LEU A 19 -1.255 6.835 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.636 6.668 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.883 5.819 -6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.922 4.747 -7.607 1.00 0.00 H new ATOM 0 HG LEU A 19 2.434 5.960 -8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.439 8.462 -8.827 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.847 7.776 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.119 8.516 -7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.954 7.329 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.730 7.344 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.485 5.810 -6.480 1.00 0.00 H new ATOM 320 N LYS A 20 -1.201 4.046 -8.558 1.00 0.00 N ATOM 321 CA LYS A 20 -1.852 2.740 -8.595 1.00 0.00 C ATOM 322 C LYS A 20 -1.179 1.766 -7.653 1.00 0.00 C ATOM 323 O LYS A 20 0.039 1.830 -7.426 1.00 0.00 O ATOM 324 CB LYS A 20 -1.831 2.198 -10.051 1.00 0.00 C ATOM 325 CG LYS A 20 -1.825 3.316 -11.124 1.00 0.00 C ATOM 326 CD LYS A 20 -3.178 3.998 -11.346 1.00 0.00 C ATOM 327 CE LYS A 20 -4.152 2.991 -11.973 1.00 0.00 C ATOM 328 NZ LYS A 20 -3.931 2.938 -13.430 1.00 0.00 N ATOM 0 H LYS A 20 -0.458 4.157 -9.248 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.885 2.852 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.949 1.571 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.701 1.561 -10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.095 4.073 -10.836 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.488 2.891 -12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.574 4.364 -10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.060 4.863 -11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.003 2.004 -11.535 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.181 3.282 -11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.847 2.975 -13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.348 3.748 -13.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.442 2.053 -13.675 1.00 0.00 H new ATOM 342 N CYS A 21 -1.942 0.831 -7.114 1.00 0.00 N ATOM 343 CA CYS A 21 -1.413 -0.130 -6.148 1.00 0.00 C ATOM 344 C CYS A 21 -1.855 -1.547 -6.437 1.00 0.00 C ATOM 345 O CYS A 21 -2.761 -2.085 -5.777 1.00 0.00 O ATOM 346 CB CYS A 21 -1.840 0.327 -4.736 1.00 0.00 C ATOM 347 SG CYS A 21 -0.842 -0.477 -3.461 1.00 0.00 S ATOM 0 H CYS A 21 -2.933 0.713 -7.326 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.326 -0.149 -6.221 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.737 1.409 -4.654 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.893 0.094 -4.578 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.576 -1.327 -2.807 1.00 0.00 H new ATOM 352 N SER A 22 -1.270 -2.176 -7.437 1.00 0.00 N ATOM 353 CA SER A 22 -1.447 -3.603 -7.696 1.00 0.00 C ATOM 354 C SER A 22 -1.476 -4.452 -6.440 1.00 0.00 C ATOM 355 O SER A 22 -1.988 -5.587 -6.457 1.00 0.00 O ATOM 356 CB SER A 22 -0.354 -4.105 -8.677 1.00 0.00 C ATOM 357 OG SER A 22 0.953 -3.619 -8.349 1.00 0.00 O ATOM 0 H SER A 22 -0.651 -1.712 -8.102 1.00 0.00 H new ATOM 0 HA SER A 22 -2.431 -3.717 -8.152 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.343 -5.195 -8.674 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.609 -3.792 -9.689 1.00 0.00 H new ATOM 0 HG SER A 22 1.603 -3.966 -8.996 1.00 0.00 H new ATOM 363 N LYS A 23 -0.913 -3.977 -5.347 1.00 0.00 N ATOM 364 CA LYS A 23 -1.034 -4.582 -4.022 1.00 0.00 C ATOM 365 C LYS A 23 -0.009 -5.658 -3.757 1.00 0.00 C ATOM 366 O LYS A 23 -0.027 -6.290 -2.677 1.00 0.00 O ATOM 367 CB LYS A 23 -2.479 -5.133 -3.834 1.00 0.00 C ATOM 368 CG LYS A 23 -3.514 -4.020 -3.531 1.00 0.00 C ATOM 369 CD LYS A 23 -4.942 -4.283 -4.018 1.00 0.00 C ATOM 370 CE LYS A 23 -5.878 -3.214 -3.437 1.00 0.00 C ATOM 371 NZ LYS A 23 -7.160 -3.837 -3.064 1.00 0.00 N ATOM 0 H LYS A 23 -0.340 -3.133 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.835 -3.799 -3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.780 -5.666 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.483 -5.858 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.542 -3.861 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.163 -3.092 -3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.977 -4.261 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.268 -5.276 -3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.420 -2.749 -2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.044 -2.424 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.796 -3.114 -2.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.598 -4.261 -3.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.993 -4.576 -2.352 1.00 0.00 H new ATOM 385 N GLU A 24 0.874 -5.940 -4.693 1.00 0.00 N ATOM 386 CA GLU A 24 2.012 -6.823 -4.444 1.00 0.00 C ATOM 387 C GLU A 24 2.729 -6.501 -3.143 1.00 0.00 C ATOM 388 O GLU A 24 2.665 -5.394 -2.597 1.00 0.00 O ATOM 389 CB GLU A 24 3.015 -6.775 -5.635 1.00 0.00 C ATOM 390 CG GLU A 24 3.301 -5.412 -6.355 1.00 0.00 C ATOM 391 CD GLU A 24 4.445 -5.373 -7.370 1.00 0.00 C ATOM 392 OE1 GLU A 24 5.652 -5.728 -6.843 1.00 0.00 O ATOM 393 OE2 GLU A 24 4.305 -5.079 -8.447 1.00 0.00 O ATOM 0 H GLU A 24 0.831 -5.571 -5.643 1.00 0.00 H new ATOM 0 HA GLU A 24 1.610 -7.832 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.969 -7.159 -5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.657 -7.474 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.389 -5.104 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.506 -4.664 -5.589 1.00 0.00 H new ATOM 400 N LYS A 25 3.465 -7.487 -2.651 1.00 0.00 N ATOM 401 CA LYS A 25 4.054 -7.419 -1.317 1.00 0.00 C ATOM 402 C LYS A 25 5.469 -7.956 -1.299 1.00 0.00 C ATOM 403 O LYS A 25 5.826 -8.863 -2.072 1.00 0.00 O ATOM 404 CB LYS A 25 3.166 -8.219 -0.322 1.00 0.00 C ATOM 405 CG LYS A 25 1.888 -7.467 0.129 1.00 0.00 C ATOM 406 CD LYS A 25 1.687 -7.378 1.644 1.00 0.00 C ATOM 407 CE LYS A 25 2.129 -8.695 2.299 1.00 0.00 C ATOM 408 NZ LYS A 25 1.267 -8.977 3.461 1.00 0.00 N ATOM 0 H LYS A 25 3.671 -8.349 -3.157 1.00 0.00 H new ATOM 0 HA LYS A 25 4.099 -6.372 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.876 -9.161 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.758 -8.468 0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.917 -6.456 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.021 -7.962 -0.308 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.264 -6.547 2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.639 -7.180 1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.066 -9.511 1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.171 -8.626 2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.565 -9.869 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.348 -8.202 4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.279 -9.060 3.148 1.00 0.00 H new ATOM 422 N PRO A 26 6.297 -7.425 -0.422 1.00 0.00 N ATOM 423 CA PRO A 26 5.996 -6.269 0.535 1.00 0.00 C ATOM 424 C PRO A 26 5.733 -4.931 -0.121 1.00 0.00 C ATOM 425 O PRO A 26 4.807 -4.190 0.275 1.00 0.00 O ATOM 426 CB PRO A 26 7.222 -6.126 1.428 1.00 0.00 C ATOM 427 CG PRO A 26 8.337 -6.599 0.476 1.00 0.00 C ATOM 428 CD PRO A 26 7.702 -7.838 -0.175 1.00 0.00 C ATOM 0 HA PRO A 26 5.074 -6.517 1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 26 7.372 -5.099 1.761 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.154 -6.744 2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.594 -5.838 -0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 26 9.253 -6.845 1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.209 -8.108 -1.102 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.755 -8.707 0.481 1.00 0.00 H new ATOM 436 N LYS A 27 6.527 -4.551 -1.101 1.00 0.00 N ATOM 437 CA LYS A 27 6.330 -3.307 -1.844 1.00 0.00 C ATOM 438 C LYS A 27 5.564 -3.579 -3.118 1.00 0.00 C ATOM 439 O LYS A 27 5.777 -4.610 -3.783 1.00 0.00 O ATOM 440 CB LYS A 27 7.703 -2.652 -2.170 1.00 0.00 C ATOM 441 CG LYS A 27 8.768 -3.681 -2.629 1.00 0.00 C ATOM 442 CD LYS A 27 10.218 -3.217 -2.484 1.00 0.00 C ATOM 443 CE LYS A 27 11.073 -4.394 -1.984 1.00 0.00 C ATOM 444 NZ LYS A 27 12.470 -4.192 -2.406 1.00 0.00 N ATOM 0 H LYS A 27 7.333 -5.094 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 27 5.753 -2.617 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.567 -1.904 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.069 -2.127 -1.287 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.637 -4.598 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.585 -3.930 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.596 -2.857 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.278 -2.384 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.015 -4.465 -0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.691 -5.333 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.052 -4.986 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.516 -4.144 -3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.830 -3.304 -2.002 1.00 0.00 H new ATOM 458 N CYS A 28 4.651 -2.694 -3.468 1.00 0.00 N ATOM 459 CA CYS A 28 3.989 -2.765 -4.763 1.00 0.00 C ATOM 460 C CYS A 28 5.007 -2.701 -5.881 1.00 0.00 C ATOM 461 O CYS A 28 6.227 -2.679 -5.670 1.00 0.00 O ATOM 462 CB CYS A 28 2.944 -1.628 -4.904 1.00 0.00 C ATOM 463 SG CYS A 28 3.462 -0.005 -4.300 1.00 0.00 S ATOM 0 H CYS A 28 4.349 -1.918 -2.878 1.00 0.00 H new ATOM 0 HA CYS A 28 3.465 -3.718 -4.832 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.676 -1.535 -5.956 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.040 -1.922 -4.370 1.00 0.00 H new ATOM 0 HG CYS A 28 2.500 0.851 -4.478 1.00 0.00 H new ATOM 468 N ALA A 29 4.513 -2.627 -7.102 1.00 0.00 N ATOM 469 CA ALA A 29 5.344 -2.362 -8.272 1.00 0.00 C ATOM 470 C ALA A 29 6.010 -1.004 -8.143 1.00 0.00 C ATOM 471 O ALA A 29 7.165 -0.788 -8.522 1.00 0.00 O ATOM 472 CB ALA A 29 4.434 -2.426 -9.509 1.00 0.00 C ATOM 0 H ALA A 29 3.523 -2.748 -7.316 1.00 0.00 H new ATOM 0 HA ALA A 29 6.140 -3.101 -8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.024 -2.232 -10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.983 -3.416 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.649 -1.675 -9.422 1.00 0.00 H new ATOM 478 N LYS A 30 5.248 -0.043 -7.651 1.00 0.00 N ATOM 479 CA LYS A 30 5.708 1.315 -7.379 1.00 0.00 C ATOM 480 C LYS A 30 7.010 1.399 -6.607 1.00 0.00 C ATOM 481 O LYS A 30 8.056 1.804 -7.127 1.00 0.00 O ATOM 482 CB LYS A 30 4.607 2.057 -6.553 1.00 0.00 C ATOM 483 CG LYS A 30 4.254 3.483 -7.034 1.00 0.00 C ATOM 484 CD LYS A 30 4.576 3.806 -8.494 1.00 0.00 C ATOM 485 CE LYS A 30 5.221 5.196 -8.596 1.00 0.00 C ATOM 486 NZ LYS A 30 5.302 5.601 -10.012 1.00 0.00 N ATOM 0 H LYS A 30 4.264 -0.186 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 30 5.891 1.773 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.699 1.454 -6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.935 2.114 -5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.188 3.643 -6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.781 4.197 -6.402 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.250 3.053 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.665 3.774 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.635 5.922 -8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.217 5.179 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.739 6.542 -10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.879 4.913 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.346 5.633 -10.419 1.00 0.00 H new ATOM 500 N CYS A 31 6.938 1.097 -5.323 1.00 0.00 N ATOM 501 CA CYS A 31 8.060 1.311 -4.411 1.00 0.00 C ATOM 502 C CYS A 31 9.277 0.526 -4.842 1.00 0.00 C ATOM 503 O CYS A 31 10.412 1.015 -4.783 1.00 0.00 O ATOM 504 CB CYS A 31 7.600 0.985 -2.974 1.00 0.00 C ATOM 505 SG CYS A 31 6.179 2.008 -2.525 1.00 0.00 S ATOM 0 H CYS A 31 6.109 0.699 -4.880 1.00 0.00 H new ATOM 0 HA CYS A 31 8.370 2.356 -4.437 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.336 -0.070 -2.900 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.418 1.159 -2.275 1.00 0.00 H new ATOM 0 HG CYS A 31 5.096 1.488 -3.022 1.00 0.00 H new ATOM 510 N LEU A 32 9.057 -0.679 -5.329 1.00 0.00 N ATOM 511 CA LEU A 32 10.166 -1.520 -5.793 1.00 0.00 C ATOM 512 C LEU A 32 10.892 -0.836 -6.938 1.00 0.00 C ATOM 513 O LEU A 32 12.126 -0.828 -7.021 1.00 0.00 O ATOM 514 CB LEU A 32 9.635 -2.929 -6.178 1.00 0.00 C ATOM 515 CG LEU A 32 10.644 -4.071 -6.471 1.00 0.00 C ATOM 516 CD1 LEU A 32 9.973 -5.302 -7.110 1.00 0.00 C ATOM 517 CD2 LEU A 32 11.771 -3.571 -7.384 1.00 0.00 C ATOM 0 H LEU A 32 8.134 -1.103 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 32 10.891 -1.657 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.986 -3.266 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.008 -2.812 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 32 11.055 -4.379 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.723 -6.071 -7.294 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.211 -5.693 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.509 -5.015 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.469 -4.385 -7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.348 -3.222 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.297 -2.750 -6.896 1.00 0.00 H new ATOM 529 N LYS A 33 10.120 -0.181 -7.785 1.00 0.00 N ATOM 530 CA LYS A 33 10.676 0.497 -8.955 1.00 0.00 C ATOM 531 C LYS A 33 11.548 1.662 -8.527 1.00 0.00 C ATOM 532 O LYS A 33 12.510 2.069 -9.191 1.00 0.00 O ATOM 533 CB LYS A 33 9.535 1.010 -9.879 1.00 0.00 C ATOM 534 CG LYS A 33 8.790 -0.095 -10.674 1.00 0.00 C ATOM 535 CD LYS A 33 8.619 0.161 -12.173 1.00 0.00 C ATOM 536 CE LYS A 33 7.197 -0.238 -12.592 1.00 0.00 C ATOM 537 NZ LYS A 33 7.184 -0.585 -14.024 1.00 0.00 N ATOM 0 H LYS A 33 9.108 -0.101 -7.690 1.00 0.00 H new ATOM 0 HA LYS A 33 11.285 -0.219 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.810 1.551 -9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.954 1.726 -10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.328 -1.034 -10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.802 -0.230 -10.233 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.796 1.213 -12.397 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.353 -0.413 -12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.857 -1.087 -11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.506 0.583 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.220 -0.855 -14.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.492 0.236 -14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.831 -1.381 -14.194 1.00 0.00 H new ATOM 551 N ASN A 34 11.190 2.243 -7.401 1.00 0.00 N ATOM 552 CA ASN A 34 11.744 3.504 -6.917 1.00 0.00 C ATOM 553 C ASN A 34 12.514 3.364 -5.628 1.00 0.00 C ATOM 554 O ASN A 34 12.941 4.368 -5.031 1.00 0.00 O ATOM 555 CB ASN A 34 10.529 4.473 -6.718 1.00 0.00 C ATOM 556 CG ASN A 34 9.635 4.669 -7.947 1.00 0.00 C ATOM 557 OD1 ASN A 34 9.188 3.716 -8.575 1.00 0.00 O ATOM 558 ND2 ASN A 34 9.361 5.874 -8.364 1.00 0.00 N ATOM 0 H ASN A 34 10.488 1.846 -6.776 1.00 0.00 H new ATOM 0 HA ASN A 34 12.464 3.882 -7.643 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.915 4.095 -5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 34 10.909 5.446 -6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.786 6.007 -9.196 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.722 6.683 -7.858 1.00 0.00 H new ATOM 565 N ASN A 35 12.749 2.144 -5.191 1.00 0.00 N ATOM 566 CA ASN A 35 13.306 1.876 -3.874 1.00 0.00 C ATOM 567 C ASN A 35 12.713 2.797 -2.823 1.00 0.00 C ATOM 568 O ASN A 35 13.298 3.814 -2.422 1.00 0.00 O ATOM 569 CB ASN A 35 14.868 2.011 -3.963 1.00 0.00 C ATOM 570 CG ASN A 35 15.598 2.507 -5.217 1.00 0.00 C ATOM 571 OD1 ASN A 35 15.156 2.198 -6.398 1.00 0.00 O flip ATOM 572 ND2 ASN A 35 16.616 3.212 -5.145 1.00 0.00 N flip ATOM 0 H ASN A 35 12.560 1.305 -5.739 1.00 0.00 H new ATOM 0 HA ASN A 35 13.051 0.863 -3.563 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.167 2.673 -3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.276 1.026 -3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.991 3.474 -4.234 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.078 3.530 -5.997 1.00 0.00 H new ATOM 579 N TRP A 36 11.517 2.472 -2.376 1.00 0.00 N ATOM 580 CA TRP A 36 10.728 3.302 -1.466 1.00 0.00 C ATOM 581 C TRP A 36 10.386 2.532 -0.211 1.00 0.00 C ATOM 582 O TRP A 36 10.695 1.334 -0.074 1.00 0.00 O ATOM 583 CB TRP A 36 9.428 3.733 -2.206 1.00 0.00 C ATOM 584 CG TRP A 36 9.609 4.905 -3.175 1.00 0.00 C ATOM 585 CD1 TRP A 36 10.690 5.812 -3.168 1.00 0.00 C ATOM 586 CD2 TRP A 36 8.781 5.307 -4.201 1.00 0.00 C ATOM 587 NE1 TRP A 36 10.543 6.798 -4.163 1.00 0.00 N ATOM 588 CE2 TRP A 36 9.351 6.465 -4.787 1.00 0.00 C ATOM 589 CE3 TRP A 36 7.583 4.750 -4.717 1.00 0.00 C ATOM 590 CZ2 TRP A 36 8.689 7.112 -5.853 1.00 0.00 C ATOM 591 CZ3 TRP A 36 6.978 5.378 -5.807 1.00 0.00 C ATOM 592 CH2 TRP A 36 7.507 6.557 -6.351 1.00 0.00 C ATOM 0 H TRP A 36 11.049 1.604 -2.637 1.00 0.00 H new ATOM 0 HA TRP A 36 11.302 4.181 -1.172 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.039 2.878 -2.758 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.676 4.003 -1.465 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.525 5.757 -2.485 1.00 0.00 H new ATOM 0 HE1 TRP A 36 11.168 7.576 -4.375 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.150 3.863 -4.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 9.090 8.021 -6.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.086 4.948 -6.239 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.993 7.044 -7.167 1.00 0.00 H new ATOM 603 N GLU A 37 9.720 3.181 0.725 1.00 0.00 N ATOM 604 CA GLU A 37 9.360 2.555 1.995 1.00 0.00 C ATOM 605 C GLU A 37 7.893 2.201 2.028 1.00 0.00 C ATOM 606 O GLU A 37 7.103 2.736 2.816 1.00 0.00 O ATOM 607 CB GLU A 37 9.735 3.531 3.146 1.00 0.00 C ATOM 608 CG GLU A 37 9.413 3.080 4.610 1.00 0.00 C ATOM 609 CD GLU A 37 8.583 4.011 5.496 1.00 0.00 C ATOM 610 OE1 GLU A 37 7.372 4.066 5.178 1.00 0.00 O ATOM 611 OE2 GLU A 37 9.059 4.643 6.431 1.00 0.00 O ATOM 0 H GLU A 37 9.413 4.149 0.634 1.00 0.00 H new ATOM 0 HA GLU A 37 9.910 1.622 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.805 3.730 3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.224 4.477 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.893 2.124 4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.361 2.898 5.117 1.00 0.00 H new ATOM 618 N CYS A 38 7.497 1.310 1.139 1.00 0.00 N ATOM 619 CA CYS A 38 6.145 0.769 1.115 1.00 0.00 C ATOM 620 C CYS A 38 5.663 0.382 2.496 1.00 0.00 C ATOM 621 O CYS A 38 6.071 -0.619 3.097 1.00 0.00 O ATOM 622 CB CYS A 38 6.076 -0.425 0.142 1.00 0.00 C ATOM 623 SG CYS A 38 4.333 -0.771 -0.228 1.00 0.00 S ATOM 0 H CYS A 38 8.104 0.938 0.409 1.00 0.00 H new ATOM 0 HA CYS A 38 5.474 1.551 0.761 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.619 -0.197 -0.775 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.550 -1.301 0.584 1.00 0.00 H new ATOM 0 HG CYS A 38 4.095 -2.037 -0.053 1.00 0.00 H new ATOM 628 N ARG A 39 4.738 1.173 3.008 1.00 0.00 N ATOM 629 CA ARG A 39 3.965 0.828 4.196 1.00 0.00 C ATOM 630 C ARG A 39 2.637 0.235 3.778 1.00 0.00 C ATOM 631 O ARG A 39 2.122 0.535 2.699 1.00 0.00 O ATOM 632 CB ARG A 39 3.818 2.098 5.082 1.00 0.00 C ATOM 633 CG ARG A 39 3.955 1.837 6.605 1.00 0.00 C ATOM 634 CD ARG A 39 5.319 2.259 7.166 1.00 0.00 C ATOM 635 NE ARG A 39 5.365 1.895 8.605 1.00 0.00 N ATOM 636 CZ ARG A 39 6.458 1.853 9.355 1.00 0.00 C ATOM 637 NH1 ARG A 39 7.654 2.128 8.924 1.00 0.00 N ATOM 638 NH2 ARG A 39 6.319 1.519 10.588 1.00 0.00 N ATOM 0 H ARG A 39 4.497 2.081 2.611 1.00 0.00 H new ATOM 0 HA ARG A 39 4.472 0.070 4.793 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.572 2.825 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.845 2.550 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.169 2.377 7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.800 0.776 6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.123 1.762 6.623 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.465 3.332 7.041 1.00 0.00 H new ATOM 0 HE ARG A 39 4.481 1.657 9.055 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.796 2.397 7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.450 2.075 9.560 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.393 1.298 10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.134 1.474 11.199 1.00 0.00 H new